A0A087X800_POEFO Loading...

P2X purinoceptor

ATP-gated nonselective transmembrane cation channel permeable to potassium, sodium and calcium. Activation by extracellular ATP induces a variety of cellular responses, such as excitatory postsynaptic responses in sensory neurons, neuromuscular junctions (NMJ) formation, hearing, perception of taste and peristalsis. In the inner ear, regulates sound transduction and auditory neurotransmission, outer hair cell electromotility, inner ear gap junctions, and K(+) recycling. Mediates synaptic transmission between neurons and from neurons to smooth muscle. Receptor for ATP that acts as a ligand-gated ion channel.

AlphaFold DB , UniProt , Accession A0A087X800, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 392 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
1M36Very low51.9Low247 Ų247121.6 Ų121.6100%1.21771%0.71SS**  099.30-77.3158.673.300108.8
2S42.9Very low52.9Low112 Ų112118.8 Ų118.878%0.78369%0.689SS**  trans-157.780.9165.8-170.60000108.9
3K45.8Very low54.4Low216 Ų216118.5 Ų118.594%0.93968%0.677SS**  trans-147.685.4169.6-85.1-170.8176.1-1790106
4S46.2Very low55.7Low98 Ų98120.9 Ų120.969%0.68568%0.679SS**SBendtrans-159.5-27.9173.2179.80000112.7G6S4-G6 PolarHBondContact O-N 3.19Å
5T46.1Very low57.4Low115 Ų115118.6 Ų118.671%0.70667%0.668SS**Hα-helixtrans-74.2-17.1-175.740.90000115.4
6G53.7Low59.1Low60 Ų60121.3 Ų121.362%0.61967%0.671SS**Hα-helixtrans-81.4-23.2178.300000115.4S4 G10S4-G6 PolarHBondContact O-N 3.19Å; G6-G10 PolarHBondContact O-N 3.15Å
7S57.3Low60.8Low97 Ų97119.7 Ų119.768%0.67866%0.661SS**Hα-helixtrans-80.4-35.8-172.9-167.60000113.1F11S7-F11 WeakPolarHBondContact O-CB 3.37Å; S7-F11 PolarHBondContact O-N 3.29Å; S7-F11 VanDerWaalsContact O-N 3.15Å
8C56.4Low62.2Low85 Ų85124 Ų12457%0.57467%0.667SS**Hα-helixtrans-74.3-34.2-178.7-136.80000111.5F11 L12C8-F11 PolarHBondContact O-N 3.15Å; C8-L12 WeakPolarHBondContact O-CB 3.16Å; C8-L12 WeakPolarHBondContact O-CD1 3.47Å; C8-L12 WeakPolarHBondContact O-CG 3.31Å; C8-L12 PolarHBondContact O-N 3.2Å
9Q58.7Low63.4Low126 Ų126126.9 Ų126.959%0.58968%0.677SS**Hα-helixtrans-72.1-40.6177.8-157.4156.4-6.200111.2F11 L12 H13Q9-F11 PolarHBondContact O-N 3.22Å; Q9-L12 PolarHBondContact O-N 2.88Å; Q9-H13 PolarHBondContact O-CD2 3.2Å; Q9-H13 PolarHBondContact O-N 3.2Å
10G62.4Low64.7Low37 Ų37125.5 Ų125.538%0.38167%0.673SS.*Hα-helixtrans-63.3-37171.900000113.7G6 H14G6-G10 PolarHBondContact O-N 3.15Å; G10-H14 PolarHBondContact O-N 3.45Å; G10-H14 VanDerWaalsContact O-N 3.12Å
11F65.4Low65.7Low145 Ų145124.4 Ų124.464%0.63667%0.673SS**Hα-helixtrans-68.5-43.9175-176.6-100.8000112.4S7 C8 Q9 H13 H14 V15S7-F11 WeakPolarHBondContact O-CB 3.37Å; S7-F11 PolarHBondContact O-N 3.29Å; S7-F11 VanDerWaalsContact O-N 3.15Å; C8-F11 PolarHBondContact O-N 3.15Å; Q9-F11 PolarHBondContact O-N 3.22Å; F11-H13 VanDerWaalsContact C-N 3.34Å; F11-H13 PolarHBondContact O-N 3.39Å; F11-H14 PolarHBondContact O-N 2.83Å; F11-V15 HydrophobicContact CD1-CG2 4.18Å; F11-V15 HydrophobicContact CE1-CG2 3.85Å; F11-V15 HydrophobicContact CZ-CG2 4.04Å; F11-V15 VanDerWaalsContact O-CG2 3.28Å; F11-V15 WeakPolarHBondContact O-CG2 3.33Å; F11-V15 PolarHBondContact O-N 3.19Å
12L64.2Low68.1Low88 Ų88123 Ų12346%0.46166%0.66SS.*Hα-helixtrans-63-39.2175.4-83.2157.9000112.1C8 Q9 V15 F16C8-L12 WeakPolarHBondContact O-CB 3.16Å; C8-L12 WeakPolarHBondContact O-CD1 3.47Å; C8-L12 WeakPolarHBondContact O-CG 3.31Å; C8-L12 PolarHBondContact O-N 3.2Å; Q9-L12 PolarHBondContact O-N 2.88Å; L12-V15 PolarHBondContact O-N 2.74Å; L12-F16 HydrophobicContact CD2-CD2 4.35Å; L12-F16 HydrophobicContact CD2-CE2 3.7Å; L12-F16 WeakPolarHBondContact O-CD2 3.45Å; L12-F16 PolarHBondContact O-N 2.98Å; L12-F16 VanDerWaalsContact O-N 3.11Å
13H71.8Confident70.1Confident115 Ų115123.5 Ų123.553%0.53266%0.658SS.*Hα-helixtrans-59.6-49.8173.3-86.4-70.9000111.1Q9 F11 V15 F16 D17Q9-H13 PolarHBondContact O-CD2 3.2Å; Q9-H13 PolarHBondContact O-N 3.2Å; F11-H13 VanDerWaalsContact C-N 3.34Å; F11-H13 PolarHBondContact O-N 3.39Å; H13-V15 VanDerWaalsContact C-N 3.28Å; H13-V15 PolarHBondContact O-N 2.89Å; H13-F16 CarbonylContact O-C 3.57Å; H13-F16 PolarHBondContact O-N 2.99Å; H13-F16 VanDerWaalsContact O-N 3.08Å; H13-D17 PolarHBondContact O-N 3.36Å
14H72.9Confident72Confident151 Ų151117.2 Ų117.270%0.69963%0.634SS**Hα-helixtrans-61.3-31.4176.8-104-53.9000114.6G10 F11 D17G10-H14 PolarHBondContact O-N 3.45Å; G10-H14 VanDerWaalsContact O-N 3.12Å; F11-H14 PolarHBondContact O-N 2.83Å; H14-D17 WeakPolarHBondContact CA-OD2 3.27Å; H14-D17 IonicContact ND1-OD2 2.93Å
15V81.1Confident73.9Confident87 Ų87119.9 Ų119.953%0.52764%0.639SS.*Hα-helixtrans-73.3-28.3177.2170.70000112.1F11 L12 H13F11-V15 HydrophobicContact CD1-CG2 4.18Å; F11-V15 HydrophobicContact CE1-CG2 3.85Å; F11-V15 HydrophobicContact CZ-CG2 4.04Å; F11-V15 VanDerWaalsContact O-CG2 3.28Å; F11-V15 WeakPolarHBondContact O-CG2 3.33Å; F11-V15 PolarHBondContact O-N 3.19Å; L12-V15 PolarHBondContact O-N 2.74Å; H13-V15 VanDerWaalsContact C-N 3.28Å; H13-V15 PolarHBondContact O-N 2.89Å
16F85.3Confident75.8Confident161 Ų161116.3 Ų116.371%0.70662%0.616SS**Hα-helixtrans-103.31.2179.2-67-62.8000113.9L12 H13 Y18L12-F16 HydrophobicContact CD2-CD2 4.35Å; L12-F16 HydrophobicContact CD2-CE2 3.7Å; L12-F16 WeakPolarHBondContact O-CD2 3.45Å; L12-F16 PolarHBondContact O-N 2.98Å; L12-F16 VanDerWaalsContact O-N 3.11Å; H13-F16 CarbonylContact O-C 3.57Å; H13-F16 PolarHBondContact O-N 2.99Å; H13-F16 VanDerWaalsContact O-N 3.08Å; F16-Y18 PolarHBondContact O-N 2.97Å
17D87.2Confident77.3Confident95 Ų95119.8 Ų119.851%0.50863%0.627SS.*  trans-69.8125.4174.2-75-24.7000109.9H13 H14H13-D17 PolarHBondContact O-N 3.36Å; H14-D17 WeakPolarHBondContact CA-OD2 3.27Å; H14-D17 IonicContact ND1-OD2 2.93Å
18Y85.9Confident78.8Confident197 Ų197116.2 Ų116.277%0.77360%0.602SS**  trans-102.1111.4177.7172.4-111.8000109.9F16F16-Y18 PolarHBondContact O-N 2.97Å
19E86.2Confident80.4Confident180 Ų180119.7 Ų119.784%0.84161%0.613SS**  trans-79.9131.1175.5-65.5-174.9176.300111.1
20T88.4Confident81.9Confident98 Ų98122.2 Ų122.260%0.60162%0.617SS**  trans-129.9132.7177.31740000110.6K22T20-K22 PolarHBondContact O-N 3.32Å
21P85.6Confident83.2Confident103 Ų103121.1 Ų121.167%0.66960%0.604SS**  trans-69.7133.4177.428.6-33.3000110.5T23P21-T23 PolarHBondContact O-N 3.43Å
22K85.9Confident84.5Confident217 Ų217115.8 Ų115.894%0.94359%0.589SS**  trans-68.4125.5167.3-68.7-176.8-179.2175.90108.8T20T20-K22 PolarHBondContact O-N 3.32Å
23T85.4Confident85.9Confident123 Ų123118.2 Ų118.276%0.75560%0.596SS**  trans-105.1144-179.254.50000111.3P21P21-T23 PolarHBondContact O-N 3.43Å
24L85.4Confident86.9Confident83 Ų83114 Ų11444%0.43558%0.579SS.*  trans-103124.2176.3-173.1100.6000109.4I26 Q373L24-I26 HydrophobicContact CD2-CD1 3.78Å; L24-I26 HydrophobicContact CD2-CG1 3.52Å; L24-I26 HydrophobicContact CG-CG1 4.37Å; L24-Q373 HydrophobicContact CD1-CB 4.01Å; L24-Q373 HydrophobicContact CD2-CB 4.48Å
25I86Confident87.9Confident154 Ų154110.2 Ų110.279%0.7956%0.56SS**  trans-94.9116.9177.3-58.9172.9000108.9P27I25-P27 WeakPolarHBondContact O-CD 3.48Å
26I86.6Confident88.6Confident41 Ų41113.8 Ų113.821%0.2156%0.564CS.*  trans-105.3109.9179.1-58.7170.4000109.9L24 S28 M360 Y370L24-I26 HydrophobicContact CD2-CD1 3.78Å; L24-I26 HydrophobicContact CD2-CG1 3.52Å; L24-I26 HydrophobicContact CG-CG1 4.37Å; I26-S28 VanDerWaalsContact C-N 3.28Å; I26-S28 PolarHBondContact O-N 3.48Å; I26-M360 HydrophobicContact CD1-CE 3.51Å; I26-M360 HydrophobicContact CD1-CG 4.29Å; I26-M360 HydrophobicContact CD1-SD 4.08Å; I26-Y370 HydrophobicContact CD1-CD1 4.16Å; I26-Y370 HydrophobicContact CD1-CE1 4.49Å; I26-Y370 HydrophobicContact CG1-CD1 4.5Å; I26-Y370 HydrophobicContact CG2-CD1 4.32Å; I26-Y370 HydrophobicContact CG2-CE1 3.61Å
27P85.8Confident89Confident133 Ų133111 Ų11186%0.86455%0.552SS**  trans-80.970.3178.532.8-34.9000111.4I25I25-P27 WeakPolarHBondContact O-CD 3.48Å
28S89.2Confident89.3Confident22 Ų22107.6 Ų107.615%0.15454%0.535CS..  trans-126.3120.1178.5176.70000111.8I26 R30 V31 G32 M364I26-S28 VanDerWaalsContact C-N 3.28Å; I26-S28 PolarHBondContact O-N 3.48Å; S28-R30 VanDerWaalsContact C-N 3.29Å; S28-R30 PolarHBondContact O-N 3.42Å; S28-V31 PolarHBondContact O-N 2.94Å; S28-G32 PolarHBondContact O-N 3.33Å; S28-M364 WeakPolarHBondContact OG-CE 3.32Å
29I89.4Confident89.7Confident157 Ų157101.1 Ų101.181%0.80551%0.511SS*.Hα-helixtrans-59.9-38.7179.1-65.2168.3000111.5F33I29-F33 WeakPolarHBondContact O-CB 3.09Å; I29-F33 PolarHBondContact O-N 2.91Å
30R90.6Very high90.1Very high179 Ų17998.1 Ų98.168%0.67550%0.496SS*.Hα-helixtrans-68-44.9-177.4-65.1-175.8-176.3-175.5-0.9112.4S28 F33 V34S28-R30 VanDerWaalsContact C-N 3.29Å; S28-R30 PolarHBondContact O-N 3.42Å; R30-F33 PolarHBondContact O-N 3.49Å; R30-V34 PolarHBondContact O-N 3.16Å; R30-V34 VanDerWaalsContact O-N 3.16Å
31V90Very high90.4Very high15 Ų1597.2 Ų97.29%0.09149%0.487CS..Hα-helixtrans-69.5-42.1177.5-178.10000110.3S28 F33 V34 F35 M360 M364S28-V31 PolarHBondContact O-N 2.94Å; V31-F33 VanDerWaalsContact C-N 3.28Å; V31-F33 PolarHBondContact O-N 2.86Å; V31-V34 PolarHBondContact O-N 3.48Å; V31-F35 WeakPolarHBondContact O-CB 3.38Å; V31-F35 PolarHBondContact O-N 2.78Å; V31-M360 HydrophobicContact CG1-CB 4.44Å; V31-M360 HydrophobicContact CG2-CB 4.24Å; V31-M360 HydrophobicContact CG2-CG 4.35Å; V31-M364 HydrophobicContact CG2-CE 3.89Å; V31-M364 HydrophobicContact CG2-CG 4.29Å; V31-M364 HydrophobicContact CG2-SD 3.09Å; V31-M364 WeakPolarHBondContact CG2-SD 3.28Å
32G91.6Very high90.7Very high32 Ų3293.3 Ų93.333%0.3346%0.461SS..Hα-helixtrans-57.9-40.8174.600000112.5S28 F35 R36S28-G32 PolarHBondContact O-N 3.33Å; G32-F35 PolarHBondContact O-N 2.82Å; G32-R36 WeakPolarHBondContact O-CB 3.39Å; G32-R36 VanDerWaalsContact O-CG 3.31Å; G32-R36 WeakPolarHBondContact O-CG 3.3Å; G32-R36 PolarHBondContact O-N 2.93Å
33F93.9Very high91Very high139 Ų13987.7 Ų87.761%0.6144%0.441SS*.Hα-helixtrans-62.5-50.2174.9-178.8-94.5000111.9I29 R30 V31 F35 R36 F37I29-F33 WeakPolarHBondContact O-CB 3.09Å; I29-F33 PolarHBondContact O-N 2.91Å; R30-F33 PolarHBondContact O-N 3.49Å; V31-F33 VanDerWaalsContact C-N 3.28Å; V31-F33 PolarHBondContact O-N 2.86Å; F33-F35 VanDerWaalsContact C-N 3.34Å; F33-F35 PolarHBondContact O-N 3.27Å; F33-R36 PolarHBondContact O-N 3.48Å; F33-F37 HydrophobicContact CE1-CB 4.35Å; F33-F37 WeakPolarHBondContact O-CB 3.35Å; F33-F37 PolarHBondContact O-N 2.96Å
34V93.1Very high91.4Very high27 Ų2786.7 Ų86.716%0.16443%0.43CS..Hα-helixtrans-59.2-46.4177.7174.90000110.8R30 V31 R36 F37 T38 F359R30-V34 PolarHBondContact O-N 3.16Å; R30-V34 VanDerWaalsContact O-N 3.16Å; V31-V34 PolarHBondContact O-N 3.48Å; V34-R36 PolarHBondContact O-N 2.92Å; V34-F37 PolarHBondContact O-N 2.65Å; V34-T38 WeakPolarHBondContact O-CB 3.37Å; V34-T38 PolarHBondContact O-N 2.88Å; V34-T38 PolarHBondContact O-OG1 3.25Å; V34-F359 HydrophobicContact CB-CD1 4.22Å; V34-F359 HydrophobicContact CB-CE1 4.49Å; V34-F359 HydrophobicContact CG1-CB 4.3Å; V34-F359 HydrophobicContact CG1-CD1 4.41Å; V34-F359 HydrophobicContact CG1-CG 4.24Å; V34-F359 HydrophobicContact CG2-CD1 3.78Å; V34-F359 HydrophobicContact CG2-CD2 4.27Å; V34-F359 HydrophobicContact CG2-CE1 3.66Å; V34-F359 HydrophobicContact CG2-CE2 4.16Å; V34-F359 HydrophobicContact CG2-CG 4.09Å; V34-F359 HydrophobicContact CG2-CZ 3.86Å
35F93.8Very high91.7Very high71 Ų7187.8 Ų87.831%0.31143%0.429SS..Hα-helixtrans-57.1-50.9177.5-179.1-89.6000112.2V31 G32 F33 Q39 V352 P353 A356V31-F35 WeakPolarHBondContact O-CB 3.38Å; V31-F35 PolarHBondContact O-N 2.78Å; G32-F35 PolarHBondContact O-N 2.82Å; F33-F35 VanDerWaalsContact C-N 3.34Å; F33-F35 PolarHBondContact O-N 3.27Å; F35-Q39 WeakPolarHBondContact O-CB 3.19Å; F35-Q39 PolarHBondContact O-N 3.34Å; F35-V352 HydrophobicContact CD2-CG1 3.68Å; F35-V352 HydrophobicContact CE2-CG1 3.67Å; F35-V352 HydrophobicContact CG-CG1 4.14Å; F35-V352 HydrophobicContact CZ-CG1 4.11Å; F35-V352 WeakPolarHBondContact O-CG1 3.44Å; F35-P353 HydrophobicContact CE2-CG 4.45Å; F35-A356 HydrophobicContact CB-CB 4.17Å; F35-A356 HydrophobicContact CD2-CB 3.96Å
36R94.6Very high91.9Very high163 Ų16381.2 Ų81.262%0.61540%0.396SS*.Hα-helixtrans-68.7-36.1179.9-68.7-61.3-172.4-175.24.1112.7G32 F33 V34 Q39 F40G32-R36 WeakPolarHBondContact O-CB 3.39Å; G32-R36 VanDerWaalsContact O-CG 3.31Å; G32-R36 WeakPolarHBondContact O-CG 3.3Å; G32-R36 PolarHBondContact O-N 2.93Å; F33-R36 PolarHBondContact O-N 3.48Å; V34-R36 PolarHBondContact O-N 2.92Å; R36-Q39 PolarHBondContact O-N 3.43Å; R36-F40 WeakPolarHBondContact O-CB 3.44Å; R36-F40 PolarHBondContact O-N 2.88Å
37F95.1Very high92.1Very high103 Ų10382.9 Ų82.945%0.45241%0.408SS..Hα-helixtrans-66.2-47.3176.7-179.9-104.7000111.5F33 V34 Q39 F40 L41F33-F37 HydrophobicContact CE1-CB 4.35Å; F33-F37 WeakPolarHBondContact O-CB 3.35Å; F33-F37 PolarHBondContact O-N 2.96Å; V34-F37 PolarHBondContact O-N 2.65Å; F37-Q39 VanDerWaalsContact C-N 3.33Å; F37-Q39 PolarHBondContact O-N 3.38Å; F37-F40 WeakPolarHBondContact O-CB 3.38Å; F37-F40 PolarHBondContact O-N 3.44Å; F37-L41 HydrophobicContact CD1-CD1 4.03Å; F37-L41 HydrophobicContact CD1-CG 4.5Å; F37-L41 HydrophobicContact CE1-CD1 3.49Å; F37-L41 VanDerWaalsContact CE1-CD1 3.49Å; F37-L41 HydrophobicContact CE1-CG 4.13Å; F37-L41 HydrophobicContact CZ-CD1 3.9Å; F37-L41 HydrophobicContact CZ-CD2 4.26Å; F37-L41 HydrophobicContact CZ-CG 4.16Å; F37-L41 WeakPolarHBondContact O-CG 3.26Å; F37-L41 PolarHBondContact O-N 3.5Å
38T93.9Very high92.3Very high23 Ų2378 Ų7814%0.14138%0.383CS..Hα-helixtrans-62.5-41.3174.9-54.70000111.2V34 F40 L41 V42 V352 V355V34-T38 WeakPolarHBondContact O-CB 3.37Å; V34-T38 PolarHBondContact O-N 2.88Å; V34-T38 PolarHBondContact O-OG1 3.25Å; T38-F40 VanDerWaalsContact C-N 3.31Å; T38-F40 PolarHBondContact O-N 3.48Å; T38-L41 PolarHBondContact O-N 3.08Å; T38-V42 WeakPolarHBondContact O-CG2 3.15Å; T38-V42 PolarHBondContact O-N 3.41Å; T38-V352 HydrophobicContact CG2-CG1 4.47Å; T38-V352 HydrophobicContact CG2-CG2 4.17Å; T38-V355 HydrophobicContact CG2-CB 4.33Å; T38-V355 HydrophobicContact CG2-CG1 4.36Å; T38-V355 HydrophobicContact CG2-CG2 4.46Å
39Q93.5Very high92.4Very high60 Ų6082 Ų8228%0.2840%0.395SS..Hα-helixtrans-58.3-43.4173.6-171.5-179.67.100112F35 R36 F37 V42 L43 L349 V352F35-Q39 WeakPolarHBondContact O-CB 3.19Å; F35-Q39 PolarHBondContact O-N 3.34Å; R36-Q39 PolarHBondContact O-N 3.43Å; F37-Q39 VanDerWaalsContact C-N 3.33Å; F37-Q39 PolarHBondContact O-N 3.38Å; Q39-V42 PolarHBondContact O-N 3.01Å; Q39-L43 WeakPolarHBondContact O-CB 3.39Å; Q39-L43 PolarHBondContact O-N 2.94Å; Q39-L349 HydrophobicContact CG-CD2 4.25Å; Q39-V352 HydrophobicContact CB-CG1 4.18Å; Q39-V352 HydrophobicContact CB-CG2 4.45Å
40F94.4Very high92.5Very high118 Ų11875.8 Ų75.852%0.51836%0.364SS..Hα-helixtrans-62.9-43.2176.6175.6-99.2000112R36 F37 T38 L43 L44R36-F40 WeakPolarHBondContact O-CB 3.44Å; R36-F40 PolarHBondContact O-N 2.88Å; F37-F40 WeakPolarHBondContact O-CB 3.38Å; F37-F40 PolarHBondContact O-N 3.44Å; T38-F40 VanDerWaalsContact C-N 3.31Å; T38-F40 PolarHBondContact O-N 3.48Å; F40-L43 PolarHBondContact O-N 3.44Å; F40-L44 HydrophobicContact CZ-CD1 4.28Å; F40-L44 WeakPolarHBondContact O-CB 3.38Å; F40-L44 PolarHBondContact O-N 2.78Å
41L94Very high92.4Very high78 Ų7869.3 Ų69.341%0.40835%0.346SS..Hα-helixtrans-61.9-43.3176.5-71.2179000112.4F37 T38 L44 Y45F37-L41 HydrophobicContact CD1-CD1 4.03Å; F37-L41 HydrophobicContact CD1-CG 4.5Å; F37-L41 HydrophobicContact CE1-CD1 3.49Å; F37-L41 VanDerWaalsContact CE1-CD1 3.49Å; F37-L41 HydrophobicContact CE1-CG 4.13Å; F37-L41 HydrophobicContact CZ-CD1 3.9Å; F37-L41 HydrophobicContact CZ-CD2 4.26Å; F37-L41 HydrophobicContact CZ-CG 4.16Å; F37-L41 WeakPolarHBondContact O-CG 3.26Å; F37-L41 PolarHBondContact O-N 3.5Å; T38-L41 PolarHBondContact O-N 3.08Å; L41-L44 PolarHBondContact O-N 3.27Å; L41-Y45 PolarHBondContact O-N 3.46Å
42V92.9Very high92.3Very high22 Ų2273.3 Ų73.313%0.13337%0.37CS..Hα-helixtrans-61.8-46.1175.6173.60000110.3T38 Q39 L44 Y45 V46 F348 L349 V352T38-V42 WeakPolarHBondContact O-CG2 3.15Å; T38-V42 PolarHBondContact O-N 3.41Å; Q39-V42 PolarHBondContact O-N 3.01Å; V42-L44 PolarHBondContact O-N 3.49Å; V42-Y45 PolarHBondContact O-N 2.88Å; V42-V46 HydrophobicContact CG1-CG2 4.36Å; V42-V46 WeakPolarHBondContact O-CG2 3.36Å; V42-V46 PolarHBondContact O-N 3.18Å; V42-F348 HydrophobicContact CG1-CB 3.79Å; V42-L349 HydrophobicContact CB-CD2 4.41Å; V42-L349 HydrophobicContact CG1-CD2 3.92Å; V42-L349 HydrophobicContact CG1-CG 4.42Å; V42-V352 HydrophobicContact CG2-CG2 4.08Å
43L91.6Very high92.3Very high99 Ų9976.3 Ų76.352%0.51838%0.382SS..Hα-helixtrans-62.7-42.3178.2-170150.5000111.8Q39 F40 Y45 V46 V47Q39-L43 WeakPolarHBondContact O-CB 3.39Å; Q39-L43 PolarHBondContact O-N 2.94Å; F40-L43 PolarHBondContact O-N 3.44Å; L43-Y45 VanDerWaalsContact C-N 3.34Å; L43-Y45 PolarHBondContact O-N 2.95Å; L43-V46 PolarHBondContact O-N 3.46Å; L43-V47 HydrophobicContact CD2-CG2 3.97Å; L43-V47 HydrophobicContact CG-CG2 4.23Å; L43-V47 WeakPolarHBondContact O-CB 3.4Å; L43-V47 WeakPolarHBondContact O-CG2 3.16Å; L43-V47 PolarHBondContact O-N 3.39Å
44L93.4Very high92.1Very high101 Ų10174.9 Ų74.953%0.52938%0.377SS..Hα-helixtrans-58.8-44.9175.3-173.793.3000111.3F40 L41 V42 G48F40-L44 HydrophobicContact CZ-CD1 4.28Å; F40-L44 WeakPolarHBondContact O-CB 3.38Å; F40-L44 PolarHBondContact O-N 2.78Å; L41-L44 PolarHBondContact O-N 3.27Å; V42-L44 PolarHBondContact O-N 3.49Å; L44-G48 VanDerWaalsContact O-CA 3.25Å; L44-G48 WeakPolarHBondContact O-CA 3.42Å; L44-G48 PolarHBondContact O-N 3.01Å
45Y91.4Very high92Very high107 Ų10777.7 Ų77.742%0.4239%0.387SS..Iπ-helixtrans-63.6-48.8176.8171.7-102000111.8L41 V42 L43 Y49 V50 F348L41-Y45 PolarHBondContact O-N 3.46Å; V42-Y45 PolarHBondContact O-N 2.88Å; L43-Y45 VanDerWaalsContact C-N 3.34Å; L43-Y45 PolarHBondContact O-N 2.95Å; Y45-Y49 HydrophobicContact CD2-CD1 4.21Å; Y45-Y49 HydrophobicContact CD2-CG 4.36Å; Y45-Y49 AromaticContact CE2-CD1 3.49Å; Y45-Y49 HydrophobicContact CE2-CD1 3.49Å; Y45-Y49 VanDerWaalsContact CE2-CD1 3.49Å; Y45-Y49 HydrophobicContact CE2-CE1 4.2Å; Y45-Y49 HydrophobicContact CE2-CG 4.05Å; Y45-Y49 AromaticContact CZ-CD1 3.96Å; Y45-Y49 WeakPolarHBondContact O-CA 3.49Å; Y45-Y49 VanDerWaalsContact O-CB 3.24Å; Y45-Y49 WeakPolarHBondContact O-CB 3.2Å; Y45-Y49 PolarHBondContact O-N 3.46Å; Y45-V50 HydrophobicContact CD1-CG2 4.37Å; Y45-V50 HydrophobicContact CE1-CG2 3.83Å; Y45-V50 PolarHBondContact O-N 3.12Å; Y45-F348 HydrophobicContact CE1-CE2 4.23Å
46V90.8Very high91.8Very high15 Ų1575.3 Ų75.39%0.09138%0.38CS..Iπ-helixtrans-63.3-52.7-178.7169.40000111.2V42 L43 V50 C51 A345V42-V46 HydrophobicContact CG1-CG2 4.36Å; V42-V46 WeakPolarHBondContact O-CG2 3.36Å; V42-V46 PolarHBondContact O-N 3.18Å; L43-V46 PolarHBondContact O-N 3.46Å; V46-V50 WeakPolarHBondContact O-CB 3.37Å; V46-V50 PolarHBondContact O-N 3.25Å; V46-C51 PolarHBondContact O-N 3.34Å; V46-A345 HydrophobicContact CB-CB 4.22Å; V46-A345 HydrophobicContact CG1-CB 3.52Å; V46-A345 HydrophobicContact CG2-CB 3.69Å
47V90.4Very high91.7Very high76 Ų7670.2 Ų70.246%0.46136%0.362SS..Iπ-helixtrans-73.2-47.3-176.5178.90000110.7L43 C51 V52L43-V47 HydrophobicContact CD2-CG2 3.97Å; L43-V47 HydrophobicContact CG-CG2 4.23Å; L43-V47 WeakPolarHBondContact O-CB 3.4Å; L43-V47 WeakPolarHBondContact O-CG2 3.16Å; L43-V47 PolarHBondContact O-N 3.39Å; V47-C51 WeakPolarHBondContact O-CB 3.31Å; V47-V52 WeakPolarHBondContact O-CG2 3.4Å; V47-V52 PolarHBondContact O-N 3.47Å; V47-V52 VanDerWaalsContact O-N 3.09Å
48G91.1Very high91.6Very high32 Ų3266.2 Ų66.233%0.3334%0.344SS..Iπ-helixtrans-73.3-52.8-175.700000113.1L44 V52 V53L44-G48 VanDerWaalsContact O-CA 3.25Å; L44-G48 WeakPolarHBondContact O-CA 3.42Å; L44-G48 PolarHBondContact O-N 3.01Å; G48-V52 VanDerWaalsContact O-CB 3.32Å; G48-V52 WeakPolarHBondContact O-CB 3.41Å; G48-V53 WeakPolarHBondContact O-CG2 3.41Å; G48-V53 PolarHBondContact O-N 2.91Å; G48-V53 VanDerWaalsContact O-N 3.13Å
49Y90.8Very high91.6Very high106 Ų10668 Ų6842%0.41635%0.351SS..Iπ-helixtrans-85.7-54.2-174.9-176.3-102.6000112.2Y45 V53 Q54Y45-Y49 HydrophobicContact CD2-CD1 4.21Å; Y45-Y49 HydrophobicContact CD2-CG 4.36Å; Y45-Y49 AromaticContact CE2-CD1 3.49Å; Y45-Y49 HydrophobicContact CE2-CD1 3.49Å; Y45-Y49 VanDerWaalsContact CE2-CD1 3.49Å; Y45-Y49 HydrophobicContact CE2-CE1 4.2Å; Y45-Y49 HydrophobicContact CE2-CG 4.05Å; Y45-Y49 AromaticContact CZ-CD1 3.96Å; Y45-Y49 WeakPolarHBondContact O-CA 3.49Å; Y45-Y49 VanDerWaalsContact O-CB 3.24Å; Y45-Y49 WeakPolarHBondContact O-CB 3.2Å; Y45-Y49 PolarHBondContact O-N 3.46Å; Y49-V53 HydrophobicContact CD2-CB 4.16Å; Y49-V53 HydrophobicContact CD2-CG1 4.23Å; Y49-V53 HydrophobicContact CD2-CG2 4.49Å; Y49-V53 HydrophobicContact CE2-CG1 4.22Å; Y49-V53 WeakPolarHBondContact O-CB 3.46Å; Y49-V53 PolarHBondContact O-N 2.97Å; Y49-Q54 HydrophobicContact CD1-CG 4.31Å; Y49-Q54 HydrophobicContact CE1-CG 3.88Å; Y49-Q54 HydrophobicContact CE2-CG 4.47Å; Y49-Q54 PolarHBondContact O-N 3.45Å; Y49-Q54 PolarHBondContact OH-NE2 3.42Å
50V90.6Very high91.6Very high25 Ų2569.6 Ų69.615%0.15237%0.365CS..Iπ-helixtrans-72.2-48-173.4-178.70000111.6Y45 V46 K55 A56Y45-V50 HydrophobicContact CD1-CG2 4.37Å; Y45-V50 HydrophobicContact CE1-CG2 3.83Å; Y45-V50 PolarHBondContact O-N 3.12Å; V46-V50 WeakPolarHBondContact O-CB 3.37Å; V46-V50 PolarHBondContact O-N 3.25Å; V50-K55 PolarHBondContact O-N 2.96Å; V50-A56 HydrophobicContact CG1-CB 3.72Å; V50-A56 WeakPolarHBondContact O-CB 3.24Å; V50-A56 PolarHBondContact O-N 3.42Å; V50-A56 VanDerWaalsContact O-N 3.16Å
51C88.9Confident91.7Very high44 Ų4465.3 Ų65.330%0.29735%0.347SS..Iπ-helixtrans-79.6-46.5-178.8-63.20000112.9V46 V47 K55 Y57V46-C51 PolarHBondContact O-N 3.34Å; V47-C51 WeakPolarHBondContact O-CB 3.31Å; C51-K55 VanDerWaalsContact O-CA 3.31Å; C51-K55 WeakPolarHBondContact O-CA 3.49Å; C51-K55 PolarHBondContact O-N 3.38Å; C51-Y57 WeakPolarHBondContact O-CD1 3.36Å; C51-Y57 VanDerWaalsContact O-CE1 3.23Å; C51-Y57 WeakPolarHBondContact O-CE1 3.38Å
52V89.3Confident91.8Very high98 Ų9865.4 Ų65.459%0.59436%0.355SS*.Iπ-helixtrans-87.2-49.6-173.6173.80000113.3V47 G48V47-V52 WeakPolarHBondContact O-CG2 3.4Å; V47-V52 PolarHBondContact O-N 3.47Å; V47-V52 VanDerWaalsContact O-N 3.09Å; G48-V52 VanDerWaalsContact O-CB 3.32Å; G48-V52 WeakPolarHBondContact O-CB 3.41Å
53V90.2Very high91.9Very high96 Ų9665.5 Ų65.558%0.58236%0.356SS*.Iπ-helixtrans-75.5-53.5-177.21750000111.4G48 Y49 K55G48-V53 WeakPolarHBondContact O-CG2 3.41Å; G48-V53 PolarHBondContact O-N 2.91Å; G48-V53 VanDerWaalsContact O-N 3.13Å; Y49-V53 HydrophobicContact CD2-CB 4.16Å; Y49-V53 HydrophobicContact CD2-CG1 4.23Å; Y49-V53 HydrophobicContact CD2-CG2 4.49Å; Y49-V53 HydrophobicContact CE2-CG1 4.22Å; Y49-V53 WeakPolarHBondContact O-CB 3.46Å; Y49-V53 PolarHBondContact O-N 2.97Å; V53-K55 VanDerWaalsContact C-N 3.34Å
54Q89.6Confident92.1Very high108 Ų10865.7 Ų65.751%0.50536%0.356SS..SBendtrans-80.3-15.2-177.2-68.9-66.6-14.500113.3Y49 A56Y49-Q54 HydrophobicContact CD1-CG 4.31Å; Y49-Q54 HydrophobicContact CE1-CG 3.88Å; Y49-Q54 HydrophobicContact CE2-CG 4.47Å; Y49-Q54 PolarHBondContact O-N 3.45Å; Y49-Q54 PolarHBondContact OH-NE2 3.42Å; Q54-A56 PolarHBondContact O-N 3Å; Q54-A56 VanDerWaalsContact O-N 3.16Å
55K91.6Very high92.2Very high86 Ų8663 Ų6337%0.37435%0.346SS..  trans49.540.1-177.1-59.3178.7-174.2164.10112.5V50 C51 V53 Y57 Q58V50-K55 PolarHBondContact O-N 2.96Å; C51-K55 VanDerWaalsContact O-CA 3.31Å; C51-K55 WeakPolarHBondContact O-CA 3.49Å; C51-K55 PolarHBondContact O-N 3.38Å; V53-K55 VanDerWaalsContact C-N 3.34Å; K55-Y57 HydrophobicContact CB-CE1 4.07Å; K55-Y57 HydrophobicContact CG-CE1 4.28Å; K55-Y57 PolarHBondContact O-N 3.25Å; K55-Q58 HydrophobicContact CB-CG 4.17Å; K55-Q58 WeakPolarHBondContact O-CB 3.44Å; K55-Q58 PolarHBondContact O-N 3.41Å
56A90Very high92.4Very high21 Ų2162.2 Ų62.217%0.17435%0.352CS..THydrogen-bonded Turntrans-62.9-9.7-174.900000113.8V50 Q54 N341V50-A56 HydrophobicContact CG1-CB 3.72Å; V50-A56 WeakPolarHBondContact O-CB 3.24Å; V50-A56 PolarHBondContact O-N 3.42Å; V50-A56 VanDerWaalsContact O-N 3.16Å; Q54-A56 PolarHBondContact O-N 3Å; Q54-A56 VanDerWaalsContact O-N 3.16Å; A56-N341 HydrophobicContact CB-CB 4.14Å; A56-N341 PolarHBondContact O-ND2 3.02Å
57Y91.1Very high92.6Very high56 Ų5661.9 Ų61.922%0.2235%0.35CS..THydrogen-bonded Turntrans-78-9.1172.869.3-97.3000113C51 K55 D267 F333 G334 T338C51-Y57 WeakPolarHBondContact O-CD1 3.36Å; C51-Y57 VanDerWaalsContact O-CE1 3.23Å; C51-Y57 WeakPolarHBondContact O-CE1 3.38Å; K55-Y57 HydrophobicContact CB-CE1 4.07Å; K55-Y57 HydrophobicContact CG-CE1 4.28Å; K55-Y57 PolarHBondContact O-N 3.25Å; Y57-D267 WeakPolarHBondContact CE2-OD2 3.5Å; Y57-D267 PolarHBondContact OH-OD2 3.29Å; Y57-F333 AromaticContact CD2-CD2 3.79Å; Y57-F333 HydrophobicContact CD2-CD2 3.79Å; Y57-F333 HydrophobicContact CE2-CD2 4.4Å; Y57-G334 PolarHBondContact O-N 2.83Å; Y57-G334 VanDerWaalsContact O-N 3.07Å; Y57-T338 WeakPolarHBondContact CA-OG1 3.31Å; Y57-T338 WeakPolarHBondContact CB-OG1 3.37Å; Y57-T338 PolarHBondContact O-OG1 3.42Å; Y57-T338 VanDerWaalsContact O-OG1 3.13Å
58Q93.8Very high92.7Very high20 Ų2061.7 Ų61.79%0.09335%0.349CS..EExtended strand (participates in β ladder)trans-96.4143.9-180-60.3-170.7-35.500111.6K55 N265 D267 K332K55-Q58 HydrophobicContact CB-CG 4.17Å; K55-Q58 WeakPolarHBondContact O-CB 3.44Å; K55-Q58 PolarHBondContact O-N 3.41Å; Q58-N265 PolarHBondContact NE2-ND2 2.88Å; Q58-N265 PolarHBondContact NE2-OD1 2.7Å; Q58-D267 PolarHBondContact NE2-OD1 2.97Å; Q58-D267 PolarHBondContact NE2-OD2 3.11Å; Q58-K332 CarbonylContact C-O 3.55Å; Q58-K332 VanDerWaalsContact CA-O 3.3Å; Q58-K332 WeakPolarHBondContact CA-O 3.44Å
59E94.1Very high92.9Very high60 Ų6061.1 Ų61.128%0.2834%0.339SS..EExtended strand (participates in β ladder)trans-82.3144.7156.4-67.1-174.4-165.100109.3K200 F201 G331 K332 P337E59-K200 WeakPolarHBondContact OE2-CE 3.44Å; E59-K200 IonicContact OE2-NZ 2.92Å; E59-K200 PolarHBondContact OE2-NZ 3.27Å; E59-F201 HydrophobicContact CB-CE1 4.16Å; E59-F201 HydrophobicContact CB-CZ 4.24Å; E59-F201 VanDerWaalsContact O-CZ 3.23Å; E59-F201 WeakPolarHBondContact O-CZ 3.4Å; E59-G331 WeakPolarHBondContact O-CA 3.47Å; E59-K332 PolarHBondContact N-O 3.3Å; E59-K332 PolarHBondContact O-N 2.72Å; E59-P337 HydrophobicContact CG-CG 3.62Å
60T93.9Very high93Very high94 Ų9461.8 Ų61.858%0.57734%0.344SS*.EExtended strand (participates in β ladder)trans-111.3148.6177.456.10000111.9A330T60-A330 CarbonylContact C-O 3.49Å; T60-A330 WeakPolarHBondContact CA-O 3.33Å
61D95.8Very high93.2Very high27 Ų2760.7 Ų60.714%0.14434%0.338CS..EExtended strand (participates in β ladder)trans-136143.4171.9-167.718.7000110.1Y198 P199 K200 F201 T329 A330D61-Y198 HydrophobicContact CB-CD1 4.23Å; D61-Y198 WeakPolarHBondContact O-CE1 3.25Å; D61-Y198 WeakPolarHBondContact OD2-CA 3.41Å; D61-P199 VanDerWaalsContact OD2-CD 3.27Å; D61-P199 WeakPolarHBondContact OD2-CD 3.25Å; D61-P199 VanDerWaalsContact OD2-N 3.12Å; D61-K200 HydrophobicContact CB-CB 3.79Å; D61-K200 HydrophobicContact CB-CD 4.31Å; D61-K200 WeakPolarHBondContact OD2-CB 3.27Å; D61-K200 PolarHBondContact OD2-N 2.61Å; D61-F201 HydrophobicContact CB-CD2 3.9Å; D61-F201 HydrophobicContact CB-CE2 3.36Å; D61-F201 HydrophobicContact CB-CZ 3.92Å; D61-T329 WeakPolarHBondContact O-CA 3.49Å; D61-A330 PolarHBondContact N-O 2.67Å; D61-A330 PolarHBondContact O-N 3.23Å
62S95.6Very high93.5Very high81 Ų8164.9 Ų64.957%0.56635%0.351SS*.EExtended strand (participates in β ladder)trans-87.2146.1177.955.40000111
63V96.3Very high93.7Very high24 Ų2461.2 Ų61.215%0.14533%0.333CS..PPolyproline II helixtrans-71.9132.9-176.669.10000112.4I196 Y198 G328V63-I196 HydrophobicContact CG2-CB 3.57Å; V63-I196 HydrophobicContact CG2-CD1 4.44Å; V63-I196 HydrophobicContact CG2-CG2 3.54Å; V63-Y198 VanDerWaalsContact CA-CE1 3.45Å; V63-Y198 HydrophobicContact CB-CD1 4.34Å; V63-Y198 HydrophobicContact CB-CE1 3.54Å; V63-Y198 HydrophobicContact CG2-CE1 4.07Å; V63-G328 PolarHBondContact N-O 3.04Å
64I96.3Very high93.9Very high103 Ų10364 Ų6453%0.52834%0.338SS..EExtended strand (participates in β ladder)trans-99.8125.9160.7-58.8-174.8000107.3I196 T197 P199I64-I196 CarbonylContact O-C 3.54Å; I64-I196 WeakPolarHBondContact O-CA 3.38Å; I64-T197 PolarHBondContact N-O 2.93Å; I64-T197 PolarHBondContact O-N 2.02Å; I64-P199 HydrophobicContact CD1-CG 3.53Å; I64-P199 HydrophobicContact CG1-CG 4.17Å
65S95.3Very high94.1Very high44 Ų4459.1 Ų59.131%0.30832%0.315SS..EExtended strand (participates in β ladder)trans-127.8153.4-173.184.40000113.3S195 V326S65-S195 CarbonylContact C-O 3.59Å; S65-S195 WeakPolarHBondContact CA-O 3.13Å; S65-V326 WeakPolarHBondContact OG-CB 3.48Å
66T94.5Very high94.2Very high90 Ų9061.2 Ų61.255%0.55233%0.325SS*.EExtended strand (participates in β ladder)trans-131.9132.2170.7-50.40000108.2N194 S195T66-N194 WeakPolarHBondContact O-CA 3.49Å; T66-N194 PolarHBondContact O-ND2 3.22Å; T66-N194 VanDerWaalsContact O-ND2 3.15Å; T66-S195 PolarHBondContact N-O 3.25Å; T66-S195 PolarHBondContact O-N 3.12Å
67V95Very high94Very high9 Ų960.6 Ų60.66%0.05532%0.319CS..EExtended strand (participates in β ladder)trans-123.1136.8-177.5178.90000109.1T69 I192 K193 N194 V324 V326V67-T69 HydrophobicContact CG1-CG2 4.12Å; V67-I192 HydrophobicContact CG1-CG2 4.15Å; V67-K193 CarbonylContact C-O 3.57Å; V67-K193 WeakPolarHBondContact CA-O 3.32Å; V67-N194 HydrophobicContact CG2-CB 4.38Å; V67-N194 WeakPolarHBondContact CG2-ND2 3.44Å; V67-V324 HydrophobicContact CG1-CB 3.99Å; V67-V324 HydrophobicContact CG1-CG1 3.81Å; V67-V324 HydrophobicContact CG1-CG2 4.31Å; V67-V324 HydrophobicContact CG2-CG1 4.09Å; V67-V326 HydrophobicContact CG2-CG2 3.51Å
68T93.6Very high93.7Very high72 Ų7263.6 Ų63.644%0.44234%0.339SS..EExtended strand (participates in β ladder)trans-13213516652.70000109.3K193T68-K193 PolarHBondContact N-O 3.02Å; T68-K193 PolarHBondContact O-N 3.2Å; T68-K193 WeakPolarHBondContact OG1-CB 3.36Å
69T94.1Very high93Very high19 Ų1965.9 Ų65.912%0.11735%0.351CS..EExtended strand (participates in β ladder)trans-114.2145.9-178.555.80000111.1V67 G98 F102 L191 I192 V324V67-T69 HydrophobicContact CG1-CG2 4.12Å; T69-G98 PolarHBondContact OG1-O 3Å; T69-F102 HydrophobicContact CG2-CD1 3.79Å; T69-F102 HydrophobicContact CG2-CE1 4.08Å; T69-L191 CarbonylContact C-O 3.58Å; T69-L191 WeakPolarHBondContact CA-O 3.44Å; T69-I192 HydrophobicContact CG2-CG1 4.33Å; T69-V324 HydrophobicContact CG2-CG2 4Å
70K93.5Very high91.9Very high121 Ų12168.9 Ų68.953%0.52638%0.379SS..EExtended strand (participates in β ladder)trans-137.8110173179.6169.8-67.8-164.70109.9L191K70-L191 HydrophobicContact CB-CB 4.43Å; K70-L191 PolarHBondContact N-O 2.65Å; K70-L191 PolarHBondContact O-N 2.83Å
71V94.4Very high90.6Very high2 Ų271.6 Ų71.61%0.01239%0.389CS..EExtended strand (participates in β ladder)trans-83.5144.8175.6-169.90000109.7V89 Y92 F102 V104 T189 V190V71-V89 WeakPolarHBondContact O-CG2 3.28Å; V71-Y92 HydrophobicContact CB-CE2 4.42Å; V71-Y92 HydrophobicContact CG1-CE2 3.75Å; V71-F102 HydrophobicContact CG2-CD2 3.57Å; V71-F102 HydrophobicContact CG2-CE2 3.88Å; V71-F102 HydrophobicContact CG2-CG 4.23Å; V71-V104 HydrophobicContact CG1-CG2 4.42Å; V71-T189 CarbonylContact C-O 3.53Å; V71-T189 WeakPolarHBondContact CA-O 3.43Å; V71-V190 HydrophobicContact CG2-CB 4.44Å; V71-V190 HydrophobicContact CG2-CG2 4.19Å
72K94.6Very high89.5Confident131 Ų13173 Ų7357%0.5740%0.396SS*.EExtended strand (participates in β ladder)trans-140136.1174.8-72.5-170.9173-169.80110.4F188 T189K72-F188 WeakPolarHBondContact O-CA 3.17Å; K72-T189 PolarHBondContact N-O 2.83Å; K72-T189 PolarHBondContact O-N 2.98Å; K72-T189 PolarHBondContact O-OG1 2.83Å
73G94.6Very high88.8Confident22 Ų2277.4 Ų77.423%0.22741%0.408CS..  trans167164.6-176.900000109.6Y92 F188G73-Y92 WeakPolarHBondContact CA-OH 3.49Å; G73-Y92 PolarHBondContact N-OH 3.42Å; G73-Y92 VanDerWaalsContact N-OH 3.07Å; G73-Y92 PolarHBondContact O-OH 2.86Å; G73-Y92 VanDerWaalsContact O-OH 3.1Å; G73-F188 VanDerWaalsContact CA-CD1 3.48Å
74F95Very high88.4Confident155 Ų15580.2 Ų80.268%0.6843%0.426SS*.  trans-146.2144.4171.247.1-94.3000107.8F86 W87 F188F74-F86 HydrophobicContact CB-CE2 3.85Å; F74-F86 HydrophobicContact CB-CZ 3.58Å; F74-F86 HydrophobicContact CG-CE2 4.45Å; F74-F86 HydrophobicContact CG-CZ 4.36Å; F74-W87 WeakPolarHBondContact CA-O 3.39Å; F74-F188 WeakPolarHBondContact O-CE1 3.34Å
75A93.9Very high88Confident4 Ų480.1 Ų80.13%0.03342%0.419CS..EExtended strand (participates in β ladder)trans-134151.2175.200000109.6W87 L182 E184 F188A75-W87 HydrophobicContact CB-CB 4.29Å; A75-W87 PolarHBondContact N-O 2.98Å; A75-W87 PolarHBondContact O-N 3.12Å; A75-L182 HydrophobicContact CB-CD2 4.47Å; A75-L182 HydrophobicContact CB-CG 4.3Å; A75-E184 HydrophobicContact CB-CB 4.06Å; A75-F188 HydrophobicContact CB-CE1 4.4Å; A75-F188 HydrophobicContact CB-CZ 3.94Å
76F92.1Very high88Confident130 Ų13083.7 Ų83.757%0.5743%0.429SS*.EExtended strand (participates in β ladder)trans-123.5127.8173.3-179.5-102.9000108.4N78 P84F76-N78 HydrophobicContact CE1-CB 3.87Å; F76-N78 HydrophobicContact CZ-CB 4.5Å; F76-P84 HydrophobicContact CE2-CB 4.14Å; F76-P84 HydrophobicContact CZ-CB 3.72Å
77T87.1Confident87.9Confident9 Ų979.7 Ų79.76%0.05540%0.404CS..EExtended strand (participates in β ladder)trans-117.3124.3-178.359.10000108.9P84 R85 W87 L181 L182T77-P84 VanDerWaalsContact O-CA 3.3Å; T77-P84 WeakPolarHBondContact O-CA 3.4Å; T77-R85 PolarHBondContact N-O 3.08Å; T77-R85 PolarHBondContact O-N 3.3Å; T77-R85 PolarHBondContact OG1-O 3.29Å; T77-W87 PolarHBondContact OG1-NE1 3.42Å; T77-L181 HydrophobicContact CG2-CD2 4.27Å; T77-L181 HydrophobicContact CG2-CG 3.94Å; T77-L182 HydrophobicContact CG2-CD1 4.19Å; T77-L182 HydrophobicContact CG2-CG 4.46Å
78N84.7Confident87.9Confident119 Ų11982.3 Ų82.364%0.63642%0.418SS*.EExtended strand (participates in β ladder)trans-12896.2175.1-176.35.1000108F76F76-N78 HydrophobicContact CE1-CB 3.87Å; F76-N78 HydrophobicContact CZ-CB 4.5Å
79I77.8Confident87.9Confident68 Ų6881.2 Ų81.235%0.34941%0.411SS..EExtended strand (participates in β ladder)trans-128.3149.3-173.3-55.3-168.5000108.7D81 M82 L181I79-D81 PolarHBondContact O-N 3.11Å; I79-M82 PolarHBondContact O-N 3.24Å; I79-L181 HydrophobicContact CD1-CD1 3.18Å; I79-L181 HydrophobicContact CD1-CG 4.28Å; I79-L181 HydrophobicContact CG1-CD1 4.3Å
80S71.1Confident87.8Confident123 Ų12385.8 Ų85.886%0.8644%0.439SS*.THydrogen-bonded Turntrans-55.6-33.9-178.7-44.90000114.1
81D67.9Low87.8Confident150 Ų15082.3 Ų82.380%0.80243%0.426SS*.THydrogen-bonded Turntrans-89.2-6.5-172.7-55.4-36.9000113.8I79I79-D81 PolarHBondContact O-N 3.11Å
82M72.4Confident87.7Confident57 Ų5782.2 Ų82.228%0.28143%0.425SS..EExtended strand (participates in β ladder)trans-145.5146.9-179-71.9-167-65.600111.9I79 M110 L181I79-M82 PolarHBondContact O-N 3.24Å; M82-M110 HydrophobicContact SD-CG 4.46Å; M82-M110 HydrophobicContact SD-SD 4.35Å; M82-L181 HydrophobicContact CE-CD1 3.38Å; M82-L181 HydrophobicContact CE-CD2 3.6Å; M82-L181 HydrophobicContact CE-CG 4.18Å
83E80.6Confident87.6Confident174 Ų17476.5 Ų76.581%0.81340%0.401SS*.EExtended strand (participates in β ladder)trans-58.6145.8173.6-66-175.6161.300111.8R85E83-R85 PolarHBondContact O-N 3Å; E83-R85 VanDerWaalsContact O-N 3.13Å
84P87.3Confident87.3Confident82 Ų8277.5 Ų77.553%0.53240%0.401SS..EExtended strand (participates in β ladder)trans-54.1122176.2-23.932.3000111.3F76 T77F76-P84 HydrophobicContact CE2-CB 4.14Å; F76-P84 HydrophobicContact CZ-CB 3.72Å; T77-P84 VanDerWaalsContact O-CA 3.3Å; T77-P84 WeakPolarHBondContact O-CA 3.4Å
85R89.1Confident87Confident102 Ų10273.4 Ų73.439%0.38539%0.39SS..EExtended strand (participates in β ladder)trans-127.9135.9-176.2177.9172.4-88.7175.80.3111.3T77 E83 W87T77-R85 PolarHBondContact N-O 3.08Å; T77-R85 PolarHBondContact O-N 3.3Å; T77-R85 PolarHBondContact OG1-O 3.29Å; E83-R85 PolarHBondContact O-N 3Å; E83-R85 VanDerWaalsContact O-N 3.13Å; R85-W87 HydrophobicContact CG-CD2 4.35Å; R85-W87 HydrophobicContact CG-CZ2 4.31Å
86F93.6Very high86.4Confident118 Ų11877.8 Ų77.852%0.51842%0.418SS..EExtended strand (participates in β ladder)trans-88.3135.1166.1-176.5-98.6000109.4F74 D88F74-F86 HydrophobicContact CB-CE2 3.85Å; F74-F86 HydrophobicContact CB-CZ 3.58Å; F74-F86 HydrophobicContact CG-CE2 4.45Å; F74-F86 HydrophobicContact CG-CZ 4.36Å; F86-D88 HydrophobicContact CE1-CB 3.96Å
87W93.9Very high85.8Confident7 Ų779.9 Ų79.93%0.02743%0.429CS..EExtended strand (participates in β ladder)trans-117.6123.3-178-62.787.2000109.8F74 A75 T77 R85 D91 Y92 L105 V108 M110 L181 L182F74-W87 WeakPolarHBondContact CA-O 3.39Å; A75-W87 HydrophobicContact CB-CB 4.29Å; A75-W87 PolarHBondContact N-O 2.98Å; A75-W87 PolarHBondContact O-N 3.12Å; T77-W87 PolarHBondContact OG1-NE1 3.42Å; R85-W87 HydrophobicContact CG-CD2 4.35Å; R85-W87 HydrophobicContact CG-CZ2 4.31Å; W87-D91 HydrophobicContact CE3-CB 3.63Å; W87-D91 HydrophobicContact CZ3-CB 4.15Å; W87-Y92 HydrophobicContact CB-CD1 4.5Å; W87-L105 HydrophobicContact CZ3-CD2 4.26Å; W87-V108 HydrophobicContact CH2-CG1 4.01Å; W87-V108 HydrophobicContact CZ2-CG1 4.37Å; W87-M110 HydrophobicContact CH2-CE 3.45Å; W87-M110 VanDerWaalsContact CH2-CE 3.45Å; W87-M110 HydrophobicContact CZ2-CE 4.15Å; W87-M110 HydrophobicContact CZ3-CE 4.4Å; W87-L181 HydrophobicContact CZ2-CD2 3.82Å; W87-L182 HydrophobicContact CB-CD2 4.16Å; W87-L182 HydrophobicContact CD2-CD1 4.24Å; W87-L182 HydrophobicContact CD2-CD2 4.19Å; W87-L182 HydrophobicContact CE3-CD2 4.4Å; W87-L182 HydrophobicContact CG-CD1 4.5Å; W87-L182 HydrophobicContact CG-CD2 4.08Å; W87-L182 HydrophobicContact CG-CG 4.41Å; W87-L182 HydrophobicContact CZ2-CD1 4.4Å
88D94.9Very high84.8Confident64 Ų6479.6 Ų79.634%0.34243%0.428SS..  trans-117.5-179.6174.586.8-1.3000112.4F86 V90 D91 Y92F86-D88 HydrophobicContact CE1-CB 3.96Å; D88-V90 PolarHBondContact O-N 3.48Å; D88-V90 VanDerWaalsContact O-N 3.09Å; D88-V90 WeakPolarHBondContact OD1-CA 3.33Å; D88-V90 WeakPolarHBondContact OD1-CB 3.43Å; D88-V90 PolarHBondContact OD1-N 3.49Å; D88-D91 PolarHBondContact N-OD2 3.11Å; D88-D91 PolarHBondContact O-N 3.49Å; D88-D91 PolarHBondContact OD1-N 3.15Å; D88-Y92 VanDerWaalsContact C-CD1 3.44Å; D88-Y92 WeakPolarHBondContact O-CD1 3.4Å; D88-Y92 WeakPolarHBondContact O-CE1 3.35Å; D88-Y92 PolarHBondContact O-N 2.96Å
89V93.4Very high84.2Confident48 Ų4880.3 Ų80.329%0.29143%0.432SS..Hα-helixtrans-54.1-32-176.9-1780000112.5V71 D91 Y92 N93V71-V89 WeakPolarHBondContact O-CG2 3.28Å; V89-D91 VanDerWaalsContact C-N 3.33Å; V89-Y92 VanDerWaalsContact CG2-OH 3.31Å; V89-Y92 WeakPolarHBondContact CG2-OH 3.36Å; V89-N93 HydrophobicContact CG1-CB 4.22Å; V89-N93 WeakPolarHBondContact O-CB 3.5Å; V89-N93 PolarHBondContact O-N 3.34Å
90V91.8Very high84.4Confident116 Ų11678.3 Ų78.370%0.70343%0.428SS*.Hα-helixtrans-76-27.2-177.4-172.80000111.2D88D88-V90 PolarHBondContact O-N 3.48Å; D88-V90 VanDerWaalsContact O-N 3.09Å; D88-V90 WeakPolarHBondContact OD1-CA 3.33Å; D88-V90 WeakPolarHBondContact OD1-CB 3.43Å; D88-V90 PolarHBondContact OD1-N 3.49Å
91D92.9Very high85.4Confident48 Ų4873.8 Ų73.826%0.25740%0.396SS..Hα-helixtrans-80.5-42.6179.5-63.7-51.3000113W87 D88 V89W87-D91 HydrophobicContact CE3-CB 3.63Å; W87-D91 HydrophobicContact CZ3-CB 4.15Å; D88-D91 PolarHBondContact N-OD2 3.11Å; D88-D91 PolarHBondContact O-N 3.49Å; D88-D91 PolarHBondContact OD1-N 3.15Å; V89-D91 VanDerWaalsContact C-N 3.33Å
92Y92.9Very high86.7Confident0 Ų066.7 Ų66.70%036%0.358CS..Hα-helixtrans-99.5-13.3-171.264.6-113000114.8V71 G73 W87 D88 V89 V104 L105 F188V71-Y92 HydrophobicContact CB-CE2 4.42Å; V71-Y92 HydrophobicContact CG1-CE2 3.75Å; G73-Y92 WeakPolarHBondContact CA-OH 3.49Å; G73-Y92 PolarHBondContact N-OH 3.42Å; G73-Y92 VanDerWaalsContact N-OH 3.07Å; G73-Y92 PolarHBondContact O-OH 2.86Å; G73-Y92 VanDerWaalsContact O-OH 3.1Å; W87-Y92 HydrophobicContact CB-CD1 4.5Å; D88-Y92 VanDerWaalsContact C-CD1 3.44Å; D88-Y92 WeakPolarHBondContact O-CD1 3.4Å; D88-Y92 WeakPolarHBondContact O-CE1 3.35Å; D88-Y92 PolarHBondContact O-N 2.96Å; V89-Y92 VanDerWaalsContact CG2-OH 3.31Å; V89-Y92 WeakPolarHBondContact CG2-OH 3.36Å; Y92-V104 HydrophobicContact CD2-CG1 4.1Å; Y92-L105 PolarHBondContact O-N 3.26Å; Y92-F188 AromaticContact CD1-CE2 3.7Å; Y92-F188 HydrophobicContact CD1-CE2 3.7Å; Y92-F188 HydrophobicContact CD1-CZ 4.26Å; Y92-F188 HydrophobicContact CD2-CD2 4.38Å; Y92-F188 HydrophobicContact CD2-CE2 4.1Å; Y92-F188 HydrophobicContact CE1-CD2 4.1Å; Y92-F188 AromaticContact CE1-CE2 3.35Å; Y92-F188 HydrophobicContact CE1-CE2 3.35Å; Y92-F188 AromaticContact CE1-CZ 3.81Å; Y92-F188 HydrophobicContact CE1-CZ 3.81Å; Y92-F188 AromaticContact CE2-CD2 3.83Å; Y92-F188 HydrophobicContact CE2-CD2 3.83Å; Y92-F188 AromaticContact CE2-CE2 3.81Å; Y92-F188 HydrophobicContact CE2-CE2 3.81Å; Y92-F188 HydrophobicContact CG-CE2 4.08Å; Y92-F188 AromaticContact CZ-CD2 3.66Å; Y92-F188 AromaticContact CZ-CE2 3.41Å; Y92-F188 VanDerWaalsContact CZ-CE2 3.41Å
93N92.6Very high87.8Confident10 Ų1064.2 Ų64.25%0.05335%0.346CS..BIsolated β-bridgetrans-101.7109.9-178.1-174.137.3000112.5V89 F103V89-N93 HydrophobicContact CG1-CB 4.22Å; V89-N93 WeakPolarHBondContact O-CB 3.5Å; V89-N93 PolarHBondContact O-N 3.34Å; N93-F103 WeakPolarHBondContact CA-O 3.25Å; N93-F103 PolarHBondContact OD1-O 3.47Å
94I88.9Confident88.5Confident44 Ų4456 Ų5623%0.22631%0.307CS..SBendtrans-135119-171.1-55.3171.1000111.3F103 F297 F299I94-F103 HydrophobicContact CB-CD1 4.18Å; I94-F103 WeakPolarHBondContact O-CB 3.45Å; I94-F297 HydrophobicContact CB-CZ 4.11Å; I94-F297 HydrophobicContact CD1-CE2 4.45Å; I94-F297 HydrophobicContact CD1-CZ 4.1Å; I94-F297 HydrophobicContact CG2-CE2 4.09Å; I94-F297 HydrophobicContact CG2-CZ 3.87Å; I94-F299 HydrophobicContact CD1-CE1 3.73Å; I94-F299 HydrophobicContact CD1-CZ 3.75Å
95P88.6Confident88.9Confident69 Ų6952.2 Ų52.245%0.44828%0.283SS..SBendcis-75.6154.5-6.932.1-34.8000111.6Q97P95-Q97 PolarHBondContact O-N 3.35Å
96P81.6Confident89.1Confident96 Ų9647.4 Ų47.462%0.62326%0.264SS*.THydrogen-bonded Turntrans-70.7-13.1-178.129.1-36.2000113.8
97Q77.9Confident89Confident174 Ų17441.8 Ų41.881%0.81324%0.24SC*.THydrogen-bonded Turntrans-72.5-28-174.5-67.1164.7-2.100112.9P95 D99P95-Q97 PolarHBondContact O-N 3.35Å; Q97-D99 PolarHBondContact O-N 3.36Å
98G66.8Low88.9Confident2 Ų241.9 Ų41.92%0.02124%0.241CC..  trans59.148.5167.300000115.4T69 S101T69-G98 PolarHBondContact OG1-O 3Å; G98-S101 WeakPolarHBondContact CA-O 3.5Å
99D72.2Confident88.6Confident135 Ų13540.1 Ų40.172%0.72223%0.233SC*.BIsolated β-bridgetrans-95.3102.6-178.9-150.310.6000110.2Q97 S101Q97-D99 PolarHBondContact O-N 3.36Å; D99-S101 PolarHBondContact O-N 2.93Å
100G81.8Confident88.4Confident26 Ų2640 Ų4027%0.26823%0.229SC..SBendtrans64.5-8.2-178.700000116.4V324G100-V324 PolarHBondContact O-N 3.46Å
101S92.7Very high88.4Confident27 Ų2735.1 Ų35.119%0.18920%0.2CC..EExtended strand (participates in β ladder)trans-154.8155.5176.960.70000111.2G98 D99 F322 D323G98-S101 WeakPolarHBondContact CA-O 3.5Å; D99-S101 PolarHBondContact O-N 2.93Å; S101-F322 CarbonylContact C-O 3.45Å; S101-F322 WeakPolarHBondContact CA-O 3.35Å; S101-D323 WeakPolarHBondContact CB-OD1 3.42Å
102F94.3Very high88.3Confident2 Ų236.9 Ų36.91%0.00921%0.214CC..EExtended strand (participates in β ladder)trans-146152.1172.664.3-83.8000110.5T69 V71 V104 V190 L235 I258 F322 V324T69-F102 HydrophobicContact CG2-CD1 3.79Å; T69-F102 HydrophobicContact CG2-CE1 4.08Å; V71-F102 HydrophobicContact CG2-CD2 3.57Å; V71-F102 HydrophobicContact CG2-CE2 3.88Å; V71-F102 HydrophobicContact CG2-CG 4.23Å; F102-V104 HydrophobicContact CD2-CG2 3.91Å; F102-V104 HydrophobicContact CE2-CG2 3.96Å; F102-V190 HydrophobicContact CE1-CG2 3.88Å; F102-V190 HydrophobicContact CE2-CB 4.41Å; F102-V190 HydrophobicContact CE2-CG2 4.21Å; F102-V190 HydrophobicContact CZ-CB 4.04Å; F102-V190 HydrophobicContact CZ-CG1 4.01Å; F102-V190 HydrophobicContact CZ-CG2 3.7Å; F102-L235 HydrophobicContact CE2-CD2 4.34Å; F102-I258 HydrophobicContact CE1-CD1 4.22Å; F102-I258 HydrophobicContact CZ-CD1 4.3Å; F102-F322 HydrophobicContact CD1-CB 3.91Å; F102-F322 HydrophobicContact CD2-CB 4.2Å; F102-F322 AromaticContact CD2-CD2 3.88Å; F102-F322 HydrophobicContact CD2-CD2 3.88Å; F102-F322 HydrophobicContact CD2-CG 4.39Å; F102-F322 HydrophobicContact CE1-CB 3.41Å; F102-F322 VanDerWaalsContact CE1-CB 3.41Å; F102-F322 HydrophobicContact CE1-CG 4.11Å; F102-F322 HydrophobicContact CE2-CB 3.74Å; F102-F322 AromaticContact CE2-CD2 3.25Å; F102-F322 HydrophobicContact CE2-CD2 3.25Å; F102-F322 AromaticContact CE2-CE2 3.96Å; F102-F322 HydrophobicContact CE2-CE2 3.96Å; F102-F322 AromaticContact CE2-CG 3.63Å; F102-F322 HydrophobicContact CE2-CG 3.63Å; F102-F322 HydrophobicContact CG-CB 4.28Å; F102-F322 HydrophobicContact CZ-CB 3.3Å; F102-F322 HydrophobicContact CZ-CD1 4.19Å; F102-F322 AromaticContact CZ-CD2 3.64Å; F102-F322 HydrophobicContact CZ-CD2 3.64Å; F102-F322 HydrophobicContact CZ-CE2 4.48Å; F102-F322 AromaticContact CZ-CG 3.45Å; F102-F322 HydrophobicContact CZ-CG 3.45Å; F102-F322 VanDerWaalsContact CZ-CG 3.45Å; F102-F322 PolarHBondContact N-O 2.93Å; F102-F322 PolarHBondContact O-N 3.31Å; F102-V324 HydrophobicContact CE1-CG2 4.35Å
103F95.4Very high88.3Confident5 Ų538.4 Ų38.42%0.02223%0.23CC..EExtended strand (participates in β ladder)trans-115.6139.3177.5172.8-99.9000109.3N93 I94 L105 Y295 F297 A317 G319 I320 R321N93-F103 WeakPolarHBondContact CA-O 3.25Å; N93-F103 PolarHBondContact OD1-O 3.47Å; I94-F103 HydrophobicContact CB-CD1 4.18Å; I94-F103 WeakPolarHBondContact O-CB 3.45Å; F103-L105 HydrophobicContact CE1-CB 3.83Å; F103-Y295 AromaticContact CD2-CD1 3.91Å; F103-Y295 HydrophobicContact CD2-CD1 3.91Å; F103-Y295 AromaticContact CD2-CE1 3.59Å; F103-Y295 HydrophobicContact CD2-CE1 3.59Å; F103-Y295 AromaticContact CE2-CD1 3.67Å; F103-Y295 HydrophobicContact CE2-CD1 3.67Å; F103-Y295 AromaticContact CE2-CE1 3.65Å; F103-Y295 HydrophobicContact CE2-CE1 3.65Å; F103-F297 AromaticContact CD1-CE1 3.87Å; F103-F297 HydrophobicContact CD1-CE1 3.87Å; F103-F297 HydrophobicContact CD1-CZ 4.05Å; F103-F297 HydrophobicContact CD2-CE1 4.07Å; F103-F297 AromaticContact CE1-CE1 3.57Å; F103-F297 HydrophobicContact CE1-CE1 3.57Å; F103-F297 AromaticContact CE1-CZ 3.82Å; F103-F297 HydrophobicContact CE1-CZ 3.82Å; F103-F297 HydrophobicContact CE2-CD1 4.43Å; F103-F297 AromaticContact CE2-CE1 3.76Å; F103-F297 HydrophobicContact CE2-CE1 3.76Å; F103-F297 HydrophobicContact CG-CE1 4.09Å; F103-F297 HydrophobicContact CZ-CD1 4.34Å; F103-F297 AromaticContact CZ-CE1 3.5Å; F103-F297 HydrophobicContact CZ-CE1 3.5Å; F103-F297 VanDerWaalsContact CZ-CE1 3.5Å; F103-F297 HydrophobicContact CZ-CZ 4.2Å; F103-A317 HydrophobicContact CE1-CB 4.31Å; F103-A317 HydrophobicContact CZ-CB 4.26Å; F103-G319 VanDerWaalsContact CZ-CA 3.44Å; F103-I320 WeakPolarHBondContact CA-O 3.31Å; F103-R321 HydrophobicContact CD2-CB 4.37Å
104V96Very high88.4Confident1 Ų138 Ų381%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-117.6114.2172-177.80000107.9V71 Y92 F102 T106 A185 F188 L235 G319 I320 F322V71-V104 HydrophobicContact CG1-CG2 4.42Å; Y92-V104 HydrophobicContact CD2-CG1 4.1Å; F102-V104 HydrophobicContact CD2-CG2 3.91Å; F102-V104 HydrophobicContact CE2-CG2 3.96Å; V104-T106 PolarHBondContact O-N 2.81Å; V104-A185 HydrophobicContact CG1-CB 4.28Å; V104-F188 HydrophobicContact CG1-CD2 4.21Å; V104-L235 HydrophobicContact CB-CD1 4.26Å; V104-L235 HydrophobicContact CG1-CD1 4Å; V104-L235 HydrophobicContact CG2-CD1 3.85Å; V104-G319 CarbonylContact O-C 3.55Å; V104-G319 WeakPolarHBondContact O-CA 3.28Å; V104-I320 PolarHBondContact N-O 3.46Å; V104-I320 PolarHBondContact O-N 3.46Å; V104-F322 HydrophobicContact CB-CE2 4.41Å; V104-F322 HydrophobicContact CG2-CD2 4.38Å; V104-F322 HydrophobicContact CG2-CE2 4.09Å
105L94.9Very high88.7Confident3 Ų337.3 Ų37.32%0.01623%0.225CC..EExtended strand (participates in β ladder)trans-62.7126.4172.7-174.1147.1000109.2W87 Y92 F103 V108 L182 A317W87-L105 HydrophobicContact CZ3-CD2 4.26Å; Y92-L105 PolarHBondContact O-N 3.26Å; F103-L105 HydrophobicContact CE1-CB 3.83Å; L105-V108 HydrophobicContact CD1-CB 4.29Å; L105-V108 HydrophobicContact CD1-CG2 4.47Å; L105-V108 HydrophobicContact CD2-CB 4.23Å; L105-V108 HydrophobicContact CD2-CG1 4.28Å; L105-L182 HydrophobicContact CD2-CD1 3.83Å; L105-L182 HydrophobicContact CD2-CD2 4.07Å; L105-A317 HydrophobicContact CD1-CB 3.7Å; L105-A317 HydrophobicContact CG-CB 4.41Å
106T94.2Very high89Confident0 Ų040 Ų400%023%0.232CC..EExtended strand (participates in β ladder)trans-117.9-27.2178.255.80000112.1V104 L181 L182 A185 F246 A250 Y318 G319 I320V104-T106 PolarHBondContact O-N 2.81Å; T106-L181 PolarHBondContact O-N 2.88Å; T106-L182 PolarHBondContact O-N 2.74Å; T106-A185 HydrophobicContact CG2-CB 4.36Å; T106-F246 HydrophobicContact CG2-CE1 4.46Å; T106-F246 HydrophobicContact CG2-CZ 4.22Å; T106-A250 WeakPolarHBondContact CB-O 3.44Å; T106-A250 HydrophobicContact CG2-CB 4Å; T106-A250 WeakPolarHBondContact OG1-CA 3.5Å; T106-A250 PolarHBondContact OG1-O 3.22Å; T106-Y318 PolarHBondContact N-O 2.9Å; T106-Y318 PolarHBondContact OG1-O 3.46Å; T106-G319 WeakPolarHBondContact OG1-CA 3.24Å; T106-I320 HydrophobicContact CG2-CD1 4.38Å; T106-I320 HydrophobicContact CG2-CG1 4.22Å
107N92.1Very high89.6Confident1 Ų137.5 Ų37.51%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-148.6152.7179.7-168.421.7000110A250 V251 Y318N107-A250 WeakPolarHBondContact CB-O 3.41Å; N107-V251 PolarHBondContact ND2-O 2.59Å; N107-V251 VanDerWaalsContact ND2-O 3.13Å; N107-Y318 PolarHBondContact N-O 2.91Å; N107-Y318 WeakPolarHBondContact O-CA 3.36Å; N107-Y318 PolarHBondContact O-N 2.87Å
108V90.4Very high90.4Very high8 Ų836.5 Ų36.55%0.04821%0.205CC..EExtended strand (participates in β ladder)trans-154.8142.4-172.759.40000111.6W87 L105 M110 L181 I315 K316W87-V108 HydrophobicContact CH2-CG1 4.01Å; W87-V108 HydrophobicContact CZ2-CG1 4.37Å; L105-V108 HydrophobicContact CD1-CB 4.29Å; L105-V108 HydrophobicContact CD1-CG2 4.47Å; L105-V108 HydrophobicContact CD2-CB 4.23Å; L105-V108 HydrophobicContact CD2-CG1 4.28Å; V108-M110 HydrophobicContact CG1-CE 3.9Å; V108-M110 HydrophobicContact CG2-CE 3.77Å; V108-M110 HydrophobicContact CG2-CG 3.9Å; V108-L181 HydrophobicContact CG1-CD2 3.42Å; V108-L181 VanDerWaalsContact CG1-CD2 3.42Å; V108-I315 HydrophobicContact CG2-CG2 3.34Å; V108-K316 WeakPolarHBondContact CA-O 3.39Å
109V89.7Confident91.7Very high27 Ų2737.7 Ų37.716%0.16421%0.213CC..EExtended strand (participates in β ladder)trans-114.4122.5169.1179.70000107.3L176 K316 Y318V109-L176 HydrophobicContact CG2-CD2 3.97Å; V109-K316 HydrophobicContact CB-CB 4.32Å; V109-K316 PolarHBondContact N-O 2.95Å; V109-K316 PolarHBondContact O-N 3.04Å; V109-Y318 HydrophobicContact CG2-CE2 4.14Å
110M88.9Confident92.8Very high45 Ų4532 Ų3222%0.22218%0.184CC..EExtended strand (participates in β ladder)trans-111.2135-179.5-62.4-168.1-176.100110.4M82 W87 V108 L314 I315M82-M110 HydrophobicContact SD-CG 4.46Å; M82-M110 HydrophobicContact SD-SD 4.35Å; W87-M110 HydrophobicContact CH2-CE 3.45Å; W87-M110 VanDerWaalsContact CH2-CE 3.45Å; W87-M110 HydrophobicContact CZ2-CE 4.15Å; W87-M110 HydrophobicContact CZ3-CE 4.4Å; V108-M110 HydrophobicContact CG1-CE 3.9Å; V108-M110 HydrophobicContact CG2-CE 3.77Å; V108-M110 HydrophobicContact CG2-CG 3.9Å; M110-L314 WeakPolarHBondContact CA-O 3.38Å; M110-I315 HydrophobicContact CG-CG1 4.41Å
111T91.8Very high93.3Very high15 Ų1531.1 Ų31.19%0.09217%0.173CC..EExtended strand (participates in β ladder)trans-120.988.9171.7-48.50000107.6Q114 P169 L314T111-Q114 HydrophobicContact CG2-CG 3.97Å; T111-P169 HydrophobicContact CG2-CG 4.29Å; T111-P169 WeakPolarHBondContact CG2-O 3.19Å; T111-L314 PolarHBondContact N-O 3.22Å; T111-L314 PolarHBondContact O-N 3.16Å
112P91.5Very high93.3Very high84 Ų8431.6 Ų31.655%0.54517%0.174SC..EExtended strand (participates in β ladder)trans-76.5159-179.132.7-34.8000111.6Q114 T313P112-Q114 VanDerWaalsContact C-N 3.34Å; P112-Q114 PolarHBondContact O-N 3.36Å; P112-T313 HydrophobicContact CB-CG2 4.25Å
113G92.4Very high93.1Very high32 Ų3234.5 Ų34.533%0.3319%0.193SC..EExtended strand (participates in β ladder)trans71.625.4170.500000114.6T115 Y303 R312G113-T115 PolarHBondContact O-N 3.1Å; G113-Y303 PolarHBondContact N-OH 3.31Å; G113-R312 PolarHBondContact N-O 2.8Å
114Q94.9Very high92.7Very high3 Ų338.4 Ų38.41%0.01421%0.214CC..EExtended strand (participates in β ladder)trans-71128175.9-70.4-166.6-35.400111.1T111 P112 W167 C168 P169 V311 R312 L314T111-Q114 HydrophobicContact CG2-CG 3.97Å; P112-Q114 VanDerWaalsContact C-N 3.34Å; P112-Q114 PolarHBondContact O-N 3.36Å; Q114-W167 HydrophobicContact CB-CB 4.17Å; Q114-W167 HydrophobicContact CB-CE3 4.12Å; Q114-W167 PolarHBondContact NE2-O 2.79Å; Q114-C168 CarbonylContact C-O 3.59Å; Q114-C168 VanDerWaalsContact CA-O 3.24Å; Q114-C168 WeakPolarHBondContact CA-O 3.33Å; Q114-P169 WeakPolarHBondContact CG-O 3.35Å; Q114-P169 PolarHBondContact NE2-O 3.12Å; Q114-V311 CarbonylContact O-C 3.54Å; Q114-V311 VanDerWaalsContact O-CA 3.32Å; Q114-V311 WeakPolarHBondContact O-CA 3.08Å; Q114-V311 WeakPolarHBondContact O-CG1 3.41Å; Q114-R312 HydrophobicContact CB-CG 3.79Å; Q114-R312 WeakPolarHBondContact CB-O 3.11Å; Q114-R312 PolarHBondContact N-O 2.78Å; Q114-R312 PolarHBondContact O-N 3.37Å; Q114-R312 VanDerWaalsContact OE1-NH2 3.09Å; Q114-L314 VanDerWaalsContact OE1-CB 3.3Å
115T95.2Very high92.3Very high29 Ų2944.1 Ų44.118%0.17825%0.251CS..EExtended strand (participates in β ladder)trans-121158.1172.769.90000110.6G113 S117 W167 C168 E309 V311G113-T115 PolarHBondContact O-N 3.1Å; T115-S117 PolarHBondContact O-N 2.59Å; T115-S117 VanDerWaalsContact O-N 3.12Å; T115-S117 PolarHBondContact OG1-OG 3.29Å; T115-W167 CarbonylContact O-C 3.58Å; T115-W167 WeakPolarHBondContact O-CA 3.46Å; T115-C168 PolarHBondContact N-O 2.73Å; T115-C168 PolarHBondContact O-N 3.38Å; T115-E309 WeakPolarHBondContact CB-OE1 3.34Å; T115-E309 WeakPolarHBondContact CG2-OE1 3.49Å; T115-V311 HydrophobicContact CG2-CG1 4.26Å; T115-V311 HydrophobicContact CG2-CG2 3.87Å
116Q93.9Very high91.9Very high126 Ų12647 Ų4759%0.58927%0.271SS*.EExtended strand (participates in β ladder)trans-75.8100.6174.1-68.6-176.1-0.400109.7S166 W167Q116-S166 WeakPolarHBondContact CA-O 3.17Å; Q116-W167 HydrophobicContact CG-CD2 3.96Å; Q116-W167 HydrophobicContact CG-CE3 4.04Å; Q116-W167 HydrophobicContact CG-CH2 3.85Å; Q116-W167 HydrophobicContact CG-CZ2 3.76Å; Q116-W167 HydrophobicContact CG-CZ3 3.98Å
117S94.2Very high91.6Very high42 Ų4247.5 Ų47.529%0.29428%0.275SS..EExtended strand (participates in β ladder)trans-152.1-168.2-176.757.10000110.7T115 S166 C168T115-S117 PolarHBondContact O-N 2.59Å; T115-S117 VanDerWaalsContact O-N 3.12Å; T115-S117 PolarHBondContact OG1-OG 3.29Å; S117-S166 PolarHBondContact N-O 2.99Å; S117-S166 PolarHBondContact O-N 2.76Å; S117-S166 VanDerWaalsContact O-N 3.08Å; S117-C168 WeakPolarHBondContact OG-CB 3.42Å
118R95.2Very high91.7Very high154 Ų15451.7 Ų51.758%0.58130%0.296SS*.EExtended strand (participates in β ladder)trans-109.3133.9-179.5-55.1179.4-178.9-156.20.2109.3T149 E163 V164 L165R118-T149 HydrophobicContact CG-CG2 4.44Å; R118-E163 HydrophobicContact CB-CG 3.94Å; R118-E163 WeakPolarHBondContact CB-OE1 3.39Å; R118-E163 IonicContact NH1-OE2 3.77Å; R118-V164 WeakPolarHBondContact CA-O 3.43Å; R118-L165 HydrophobicContact CG-CD1 4.13Å
119C94.7Very high91.9Very high26 Ų2651.5 Ų51.518%0.17630%0.295CS..EExtended strand (participates in β ladder)trans-150.8159.1176.953.70000111.2V164 C168C119-V164 PolarHBondContact N-O 3.17Å; C119-V164 VanDerWaalsContact N-O 3.11Å; C119-V164 WeakPolarHBondContact O-CG2 3.43Å; C119-V164 PolarHBondContact O-N 3.23Å; C119-C168 HydrophobicContact CB-CB 3.65Å; C119-C168 WeakPolarHBondContact CB-SG 3.46Å; C119-C168 PolarHBondContact N-SG 2.98Å; C119-C168 VanDerWaalsContact N-SG 3.39Å; C119-C168 WeakPolarHBondContact SG-CB 3.23Å; C119-C168 CovalentContact SG-SG 2.03Å; C119-C168 PolarHBondContact SG-SG 2.84Å
120A94.4Very high92.1Very high15 Ų1555 Ų5512%0.12432%0.316CS..EExtended strand (participates in β ladder)trans-63.1133174.400000111E153 Y155 T161A120-E153 HydrophobicContact CB-CB 4.24Å; A120-E153 HydrophobicContact CB-CG 4.44Å; A120-Y155 HydrophobicContact CB-CD2 4.16Å; A120-T161 WeakPolarHBondContact CB-OG1 3.23Å
121E92.8Very high92.3Very high8 Ų858 Ų584%0.03733%0.333CS..PPolyproline II helixtrans-67.5157.9177-176.156.6-90.700111.7T127 N145 Y155 T161 C162 V164 L170E121-T127 HydrophobicContact CG-CG2 3.61Å; E121-N145 WeakPolarHBondContact OE1-CB 3.36Å; E121-N145 PolarHBondContact OE1-ND2 2.88Å; E121-N145 WeakPolarHBondContact OE2-CB 3.32Å; E121-N145 PolarHBondContact OE2-N 3.13Å; E121-Y155 WeakPolarHBondContact O-CD2 3.36Å; E121-T161 PolarHBondContact N-OG1 2.68Å; E121-T161 VanDerWaalsContact O-CB 3.31Å; E121-T161 WeakPolarHBondContact O-CB 3.47Å; E121-T161 WeakPolarHBondContact O-CG2 3.35Å; E121-T161 PolarHBondContact O-OG1 2.89Å; E121-C162 WeakPolarHBondContact CB-O 2.89Å; E121-C162 PolarHBondContact N-O 3.2Å; E121-V164 HydrophobicContact CB-CG1 4Å; E121-V164 HydrophobicContact CB-CG2 4.22Å; E121-V164 HydrophobicContact CG-CG1 4.36Å; E121-L170 WeakPolarHBondContact OE1-CD1 3.4Å
122L91.4Very high92.4Very high38 Ų3861.1 Ų61.120%0.19935%0.349CS..PPolyproline II helixtrans-62.6141.9175.7-64.9175.2000111.4N124 T127 Y155 L170 E171L122-N124 PolarHBondContact O-N 2.94Å; L122-T127 PolarHBondContact O-OG1 3.09Å; L122-Y155 HydrophobicContact CD2-CE2 4.07Å; L122-L170 HydrophobicContact CG-CB 4.48Å; L122-L170 HydrophobicContact CG-CD1 4.41Å; L122-E171 WeakPolarHBondContact CD1-O 3.3Å
123P90.5Very high92.4Very high63 Ų6363 Ų6341%0.40936%0.363SS..PPolyproline II helixtrans-68.4116.4-176.527.1-34.4000111.6Y155 V159 T161P123-Y155 HydrophobicContact CG-CD1 4.17Å; P123-Y155 HydrophobicContact CG-CE1 3.92Å; P123-V159 HydrophobicContact CB-CG1 4.17Å; P123-T161 HydrophobicContact CB-CG2 4.15Å
124N87.2Confident92.4Very high87 Ų8765.6 Ų65.647%0.46537%0.369SS..  trans-142.7153177.6-163.621.7000107.6L122 S126 T127 I128L122-N124 PolarHBondContact O-N 2.94Å; N124-S126 PolarHBondContact ND2-OG 2.82Å; N124-S126 PolarHBondContact O-N 2.83Å; N124-T127 HydrophobicContact CB-CG2 4.17Å; N124-T127 WeakPolarHBondContact CB-OG1 3.23Å; N124-T127 PolarHBondContact N-OG1 3.01Å; N124-T127 PolarHBondContact O-N 3.35Å; N124-T127 PolarHBondContact O-OG1 3.42Å; N124-T127 VanDerWaalsContact O-OG1 3.1Å; N124-I128 WeakPolarHBondContact O-CG1 3.39Å; N124-I128 PolarHBondContact O-N 3.26Å
125P87.2Confident92.3Very high121 Ų12165.8 Ų65.879%0.78637%0.371SS*.THydrogen-bonded Turntrans-57.4-20.3-179.1-28.538.6000114.8
126S86.5Confident92.2Very high63 Ų6368.9 Ų68.944%0.44139%0.39SS..THydrogen-bonded Turntrans-91.8-9.8175.8590000115.1N124 R148N124-S126 PolarHBondContact ND2-OG 2.82Å; N124-S126 PolarHBondContact O-N 2.83Å; S126-R148 PolarHBondContact O-NH2 2.92Å
127T89.8Confident92.2Very high11 Ų1170.3 Ų70.37%0.06740%0.396CS..THydrogen-bonded Turntrans-115.5-19.1-17560.50000113E121 L122 N124 T161 C162E121-T127 HydrophobicContact CG-CG2 3.61Å; L122-T127 PolarHBondContact O-OG1 3.09Å; N124-T127 HydrophobicContact CB-CG2 4.17Å; N124-T127 WeakPolarHBondContact CB-OG1 3.23Å; N124-T127 PolarHBondContact N-OG1 3.01Å; N124-T127 PolarHBondContact O-N 3.35Å; N124-T127 PolarHBondContact O-OG1 3.42Å; N124-T127 VanDerWaalsContact O-OG1 3.1Å; T127-T161 CarbonylContact O-C 3.55Å; T127-T161 VanDerWaalsContact O-CA 3.25Å; T127-T161 WeakPolarHBondContact O-CA 3.31Å; T127-T161 WeakPolarHBondContact O-CB 3.34Å; T127-C162 PolarHBondContact O-N 3.46Å
128I94.1Very high92.1Very high88 Ų8870.7 Ų70.745%0.45141%0.407SS..BIsolated β-bridgetrans-64.4131.8171.7-66.1164.5000108.9N124 V159 K160 T161N124-I128 WeakPolarHBondContact O-CG1 3.39Å; N124-I128 PolarHBondContact O-N 3.26Å; I128-V159 HydrophobicContact CG1-CG1 4.19Å; I128-K160 WeakPolarHBondContact CA-O 3.39Å; I128-T161 HydrophobicContact CG1-CG2 4.4Å
129C94.1Very high92Very high5 Ų568.6 Ų68.63%0.03440%0.4CS..  trans-131.4155.118057.50000109.9D134 C152 K160 T161 C162C129-D134 HydrophobicContact CB-CB 3.83Å; C129-C152 HydrophobicContact CB-CB 3.87Å; C129-C152 WeakPolarHBondContact CB-SG 3.15Å; C129-C152 PolarHBondContact O-SG 3.4Å; C129-C152 WeakPolarHBondContact SG-CA 3.37Å; C129-C152 WeakPolarHBondContact SG-CB 3.36Å; C129-C152 CovalentContact SG-SG 2.02Å; C129-C152 PolarHBondContact SG-SG 3.16Å; C129-K160 PolarHBondContact N-O 3.27Å; C129-K160 WeakPolarHBondContact O-CB 3.02Å; C129-T161 VanDerWaalsContact SG-CA 3.53Å; C129-C162 PolarHBondContact SG-N 3.16Å; C129-C162 VanDerWaalsContact SG-N 3.44Å
130V93.6Very high91.7Very high101 Ų10172.4 Ų72.461%0.61242%0.419SS*.SBendtrans-101.8-44.8169.8-179.50000109.3D134V130-D134 PolarHBondContact N-OD2 2.78Å
131D93.3Very high91.4Very high106 Ų10672.9 Ų72.957%0.56742%0.419SS*.SBendtrans-131.4162.3-178.1-66.1-50.8000111.3C133 D134D131-C133 PolarHBondContact O-N 3.49Å; D131-C133 VanDerWaalsContact O-N 3.11Å; D131-D134 PolarHBondContact N-OD2 3.1Å; D131-D134 WeakPolarHBondContact O-CB 3.42Å; D131-D134 PolarHBondContact O-N 2.86Å
132D93.9Very high91.1Very high82 Ų8278.5 Ų78.544%0.43946%0.456SS..G310 helixtrans-57.1-28.9-179.5-64.1-15.3000112.7D134 C135 C152D132-D134 PolarHBondContact O-N 2.88Å; D132-D134 VanDerWaalsContact O-N 3.17Å; D132-C135 WeakPolarHBondContact O-CB 3.24Å; D132-C135 PolarHBondContact O-N 3.25Å; D132-C152 WeakPolarHBondContact OD1-CB 3.35Å; D132-C152 PolarHBondContact OD1-N 3.44Å
133C91.6Very high90.8Very high124 Ų12487.1 Ų87.184%0.83849%0.486SS*.G310 helixtrans-63-21178.1-62.10000114.1D131 C135D131-C133 PolarHBondContact O-N 3.49Å; D131-C133 VanDerWaalsContact O-N 3.11Å; C133-C135 PolarHBondContact O-N 2.93Å
134D91.9Very high90.5Very high85 Ų8585.5 Ų85.546%0.45548%0.481SS..G310 helixtrans-74.3-17.5175.6-61-35.6000111.9C129 V130 D131 D132C129-D134 HydrophobicContact CB-CB 3.83Å; V130-D134 PolarHBondContact N-OD2 2.78Å; D131-D134 PolarHBondContact N-OD2 3.1Å; D131-D134 WeakPolarHBondContact O-CB 3.42Å; D131-D134 PolarHBondContact O-N 2.86Å; D132-D134 PolarHBondContact O-N 2.88Å; D132-D134 VanDerWaalsContact O-N 3.17Å
135C92.8Very high90.7Very high8 Ų884.7 Ų84.75%0.05448%0.476CS..SBendtrans-102.2103.7-176-580000110.3D132 C133 E137 G150 C162D132-C135 WeakPolarHBondContact O-CB 3.24Å; D132-C135 PolarHBondContact O-N 3.25Å; C133-C135 PolarHBondContact O-N 2.93Å; C135-E137 PolarHBondContact O-N 3.01Å; C135-G150 VanDerWaalsContact O-CA 3.3Å; C135-G150 WeakPolarHBondContact O-CA 3.3Å; C135-C162 VanDerWaalsContact CA-SG 3.53Å; C135-C162 HydrophobicContact CB-CB 3.87Å; C135-C162 WeakPolarHBondContact CB-SG 3.16Å; C135-C162 WeakPolarHBondContact SG-CA 3.39Å; C135-C162 WeakPolarHBondContact SG-CB 3.41Å; C135-C162 CovalentContact SG-SG 2.04Å; C135-C162 PolarHBondContact SG-SG 3.22Å
136V93.2Very high90.9Very high93 Ų9379.7 Ų79.756%0.56445%0.447SS*.  trans-72.6115.4174.8-1770000110Y139 R148V136-Y139 VanDerWaalsContact O-CB 3.22Å; V136-Y139 WeakPolarHBondContact O-CB 3.43Å; V136-Y139 PolarHBondContact O-N 3.07Å; V136-R148 WeakPolarHBondContact O-CB 3.37Å
137E94.3Very high91.3Very high156 Ų15680.3 Ų80.373%0.72945%0.445SS*.THydrogen-bonded Turntrans-60.3138.7176.1-176.4177.1-169.600111.6C135 Y139 T149C135-E137 PolarHBondContact O-N 3.01Å; E137-Y139 PolarHBondContact O-N 3.01Å; E137-T149 WeakPolarHBondContact CG-O 3.35Å
138G91.9Very high91.6Very high51 Ų5181.2 Ų81.253%0.52645%0.447SS..THydrogen-bonded Turntrans73.41.2179.400000114.3N140 R148G138-N140 PolarHBondContact O-N 2.88Å; G138-R148 PolarHBondContact N-O 3.28Å
139Y91.9Very high91.6Very high109 Ų10978.1 Ų78.143%0.42743%0.432SS..  trans-65.7123.9175.1-175.2-105.9000110.6V136 E137 D141 R148V136-Y139 VanDerWaalsContact O-CB 3.22Å; V136-Y139 WeakPolarHBondContact O-CB 3.43Å; V136-Y139 PolarHBondContact O-N 3.07Å; E137-Y139 PolarHBondContact O-N 3.01Å; Y139-D141 HydrophobicContact CD1-CB 4.46Å; Y139-D141 HydrophobicContact CE1-CB 3.8Å; Y139-R148 PolarHBondContact O-N 2.97Å
140N90.3Very high91.6Very high106 Ų10678.5 Ų78.557%0.56744%0.437SS*.BIsolated β-bridgetrans-116.897.8-179.1-1789.1000109.3G138 P142 I147G138-N140 PolarHBondContact O-N 2.88Å; N140-P142 WeakPolarHBondContact O-CD 3.48Å; N140-I147 HydrophobicContact CB-CG1 4.48Å
141D87.8Confident91.7Very high26 Ų2677 Ų7714%0.13943%0.425CS..  trans-85.2120.4173-174.7-6.9000109.3Y139 R143 G144Y139-D141 HydrophobicContact CD1-CB 4.46Å; Y139-D141 HydrophobicContact CE1-CB 3.8Å; D141-R143 PolarHBondContact O-N 3.13Å; D141-R143 PolarHBondContact OD1-N 2.92Å; D141-R143 IonicContact OD1-NE 3.75Å; D141-G144 PolarHBondContact O-N 2.7Å
142P86.1Confident91.8Very high125 Ų12572.6 Ų72.681%0.81240%0.402SS*.THydrogen-bonded Turntrans-58.2-19174.8-24.634.5000114.6N140N140-P142 WeakPolarHBondContact O-CD 3.48Å
143R84.3Confident91.8Very high219 Ų21973 Ų7383%0.82640%0.402SS*.THydrogen-bonded Turntrans-97.9-7.8175.8-60.1178-63.8174.41.5113.2D141D141-R143 PolarHBondContact O-N 3.13Å; D141-R143 PolarHBondContact OD1-N 2.92Å; D141-R143 IonicContact OD1-NE 3.75Å
144G85.9Confident92Very high29 Ų2971.9 Ų71.930%0.29939%0.387SS..SBendtrans-80.5172.9175.200000111.8D141D141-G144 PolarHBondContact O-N 2.7Å
145N90.2Very high92Very high70 Ų7072 Ų7237%0.37438%0.382SS..SBendtrans-97.8-2.9-178.9-62.4-69.1000113E121 S166 L170E121-N145 WeakPolarHBondContact OE1-CB 3.36Å; E121-N145 PolarHBondContact OE1-ND2 2.88Å; E121-N145 WeakPolarHBondContact OE2-CB 3.32Å; E121-N145 PolarHBondContact OE2-N 3.13Å; N145-S166 VanDerWaalsContact O-CB 3.31Å; N145-S166 WeakPolarHBondContact O-CB 3.34Å; N145-S166 PolarHBondContact O-OG 3.07Å; N145-L170 HydrophobicContact CB-CD1 4.02Å; N145-L170 HydrophobicContact CB-CD2 3.89Å; N145-L170 HydrophobicContact CB-CG 4.49Å
146G92.2Very high91.9Very high17 Ų1773.9 Ų73.918%0.17540%0.395CS..SBendtrans-174.2-174.1178.800000114.1
147I94.9Very high91.8Very high75 Ų7575.5 Ų75.539%0.38541%0.411SS..EExtended strand (participates in β ladder)trans-91.6128.8177.4-59.2172000108.7N140 V164 L165N140-I147 HydrophobicContact CB-CG1 4.48Å; I147-V164 CarbonylContact O-C 3.54Å; I147-V164 VanDerWaalsContact O-CA 3.28Å; I147-V164 WeakPolarHBondContact O-CA 3.49Å; I147-L165 PolarHBondContact N-O 3.22Å; I147-L165 PolarHBondContact O-N 2.93Å
148R94.6Very high91.6Very high31 Ų3175.5 Ų75.512%0.11741%0.414CS..EExtended strand (participates in β ladder)trans-67.3135.4-179.9-66.1-171.9-174.5-173.1-3.2111.6S126 V136 G138 Y139 E163 V164S126-R148 PolarHBondContact O-NH2 2.92Å; V136-R148 WeakPolarHBondContact O-CB 3.37Å; G138-R148 PolarHBondContact N-O 3.28Å; Y139-R148 PolarHBondContact O-N 2.97Å; R148-E163 WeakPolarHBondContact CA-O 3.33Å; R148-V164 HydrophobicContact CG-CG1 4.18Å
149T94.8Very high91.7Very high22 Ų2275.1 Ų75.114%0.13540%0.401CS..EExtended strand (participates in β ladder)trans-88.4-14.4176.860.60000113.1R118 E137 E163 L165R118-T149 HydrophobicContact CG-CG2 4.44Å; E137-T149 WeakPolarHBondContact CG-O 3.35Å; T149-E163 VanDerWaalsContact CB-OE2 3.28Å; T149-E163 WeakPolarHBondContact CB-OE2 3.46Å; T149-E163 HydrophobicContact CG2-CG 4.28Å; T149-E163 WeakPolarHBondContact CG2-OE2 3.09Å; T149-E163 PolarHBondContact N-O 2.93Å; T149-E163 WeakPolarHBondContact OG1-CB 3.4Å; T149-E163 WeakPolarHBondContact OG1-CG 3.46Å; T149-E163 PolarHBondContact OG1-O 2.79Å; T149-E163 PolarHBondContact OG1-OE2 3.31Å; T149-L165 HydrophobicContact CG2-CB 4.28Å
150G93.9Very high91.9Very high13 Ų1374.1 Ų74.113%0.13440%0.399CS..EExtended strand (participates in β ladder)trans94.33-17800000114.9C135C135-G150 VanDerWaalsContact O-CA 3.3Å; C135-G150 WeakPolarHBondContact O-CA 3.3Å
151L95.8Very high92.1Very high71 Ų7169 Ų6937%0.37237%0.372SS..EExtended strand (participates in β ladder)trans-103.6148.1178.3-59.4177.4000111.5C162 E163L151-C162 CarbonylContact O-C 3.58Å; L151-C162 WeakPolarHBondContact O-CA 3.46Å; L151-E163 HydrophobicContact CB-CB 4.24Å; L151-E163 PolarHBondContact O-N 3.38Å
152C95.4Very high92.4Very high12 Ų1267.9 Ų67.98%0.08137%0.366CS..EExtended strand (participates in β ladder)trans-103.8104.8175.8-176.40000110.6C129 D132C129-C152 HydrophobicContact CB-CB 3.87Å; C129-C152 WeakPolarHBondContact CB-SG 3.15Å; C129-C152 PolarHBondContact O-SG 3.4Å; C129-C152 WeakPolarHBondContact SG-CA 3.37Å; C129-C152 WeakPolarHBondContact SG-CB 3.36Å; C129-C152 CovalentContact SG-SG 2.02Å; C129-C152 PolarHBondContact SG-SG 3.16Å; D132-C152 WeakPolarHBondContact OD1-CB 3.35Å; D132-C152 PolarHBondContact OD1-N 3.44Å
153E95Very high92.9Very high92 Ų9263 Ų6343%0.4333%0.332SS..EExtended strand (participates in β ladder)trans-107.1153.8-170.5-16759.1-145.200111.8A120 Y155 K160 T161 E163A120-E153 HydrophobicContact CB-CB 4.24Å; A120-E153 HydrophobicContact CB-CG 4.44Å; E153-Y155 PolarHBondContact O-N 3.22Å; E153-K160 CarbonylContact O-C 3.53Å; E153-K160 VanDerWaalsContact O-CA 3.28Å; E153-K160 WeakPolarHBondContact O-CA 3.21Å; E153-T161 PolarHBondContact N-O 3.45Å; E153-T161 PolarHBondContact O-N 2.65Å; E153-T161 VanDerWaalsContact O-O 3.09Å; E153-E163 HydrophobicContact CB-CB 4.23Å
154N94.4Very high93.5Very high100 Ų10052.6 Ų52.654%0.53529%0.293SS..EExtended strand (participates in β ladder)trans-74.2110.6176.5-66.6-45000110.5K160N154-K160 WeakPolarHBondContact OD1-CE 3.38Å; N154-K160 WeakPolarHBondContact OD1-CG 3.16Å
155Y91.7Very high93.9Very high88 Ų8855.6 Ų55.635%0.34530%0.302SS..SBendtrans-76-39.2170.2178.1-96.6000111.7A120 E121 L122 P123 E153 V159A120-Y155 HydrophobicContact CB-CD2 4.16Å; E121-Y155 WeakPolarHBondContact O-CD2 3.36Å; L122-Y155 HydrophobicContact CD2-CE2 4.07Å; P123-Y155 HydrophobicContact CG-CD1 4.17Å; P123-Y155 HydrophobicContact CG-CE1 3.92Å; E153-Y155 PolarHBondContact O-N 3.22Å; Y155-V159 PolarHBondContact N-O 3.04Å
156S91Very high94.2Very high46 Ų4653.5 Ų53.532%0.32229%0.293SS..SBendtrans-144.2174.4176.166.60000109.7I158 V159S156-I158 PolarHBondContact O-N 2.88Å; S156-I158 PolarHBondContact OG-N 3.38Å; S156-V159 PolarHBondContact N-O 3.29Å; S156-V159 PolarHBondContact O-N 2.59Å; S156-V159 PolarHBondContact OG-N 2.81Å; S156-V159 VanDerWaalsContact OG-N 3.11Å
157S90.9Very high94.3Very high128 Ų12854.4 Ų54.490%0.89529%0.291SS*.SBendtrans-61.1-14.2176.353.20000114.4
158I91.6Very high94.3Very high155 Ų15551.2 Ų51.280%0.79528%0.275SS*.SBendtrans-116.4-24.5-174.3-51.5174000111.9S156S156-I158 PolarHBondContact O-N 2.88Å; S156-I158 PolarHBondContact OG-N 3.38Å
159V93.2Very high94.2Very high44 Ų4453.3 Ų53.327%0.26729%0.293SS..  trans-128.9129.5-170.3-176.10000110.8P123 I128 Y155 S156 T161P123-V159 HydrophobicContact CB-CG1 4.17Å; I128-V159 HydrophobicContact CG1-CG1 4.19Å; Y155-V159 PolarHBondContact N-O 3.04Å; S156-V159 PolarHBondContact N-O 3.29Å; S156-V159 PolarHBondContact O-N 2.59Å; S156-V159 PolarHBondContact OG-N 2.81Å; S156-V159 VanDerWaalsContact OG-N 3.11Å; V159-T161 HydrophobicContact CG1-CG2 4.23Å
160K95.3Very high94.1Very high87 Ų8753.1 Ų53.138%0.37829%0.291SS..EExtended strand (participates in β ladder)trans-102.3143.5169.9-71.1-176.9178.9-170.50111.2I128 C129 E153 N154I128-K160 WeakPolarHBondContact CA-O 3.39Å; C129-K160 PolarHBondContact N-O 3.27Å; C129-K160 WeakPolarHBondContact O-CB 3.02Å; E153-K160 CarbonylContact O-C 3.53Å; E153-K160 VanDerWaalsContact O-CA 3.28Å; E153-K160 WeakPolarHBondContact O-CA 3.21Å; N154-K160 WeakPolarHBondContact OD1-CE 3.38Å; N154-K160 WeakPolarHBondContact OD1-CG 3.16Å
161T95.3Very high93.9Very high0 Ų053.2 Ų53.20%029%0.288CS..EExtended strand (participates in β ladder)trans-140.4157.517760.10000110.7A120 E121 P123 T127 I128 C129 E153 V159 E163A120-T161 WeakPolarHBondContact CB-OG1 3.23Å; E121-T161 PolarHBondContact N-OG1 2.68Å; E121-T161 VanDerWaalsContact O-CB 3.31Å; E121-T161 WeakPolarHBondContact O-CB 3.47Å; E121-T161 WeakPolarHBondContact O-CG2 3.35Å; E121-T161 PolarHBondContact O-OG1 2.89Å; P123-T161 HydrophobicContact CB-CG2 4.15Å; T127-T161 CarbonylContact O-C 3.55Å; T127-T161 VanDerWaalsContact O-CA 3.25Å; T127-T161 WeakPolarHBondContact O-CA 3.31Å; T127-T161 WeakPolarHBondContact O-CB 3.34Å; I128-T161 HydrophobicContact CG1-CG2 4.4Å; C129-T161 VanDerWaalsContact SG-CA 3.53Å; E153-T161 PolarHBondContact N-O 3.45Å; E153-T161 PolarHBondContact O-N 2.65Å; E153-T161 VanDerWaalsContact O-O 3.09Å; V159-T161 HydrophobicContact CG1-CG2 4.23Å; T161-E163 PolarHBondContact O-N 3.25Å
162C95Very high93.2Very high2 Ų253.1 Ų53.11%0.01429%0.29CS..EExtended strand (participates in β ladder)trans-60.4136.4177.8-65.60000111.2E121 T127 C129 C135 L151E121-C162 WeakPolarHBondContact CB-O 2.89Å; E121-C162 PolarHBondContact N-O 3.2Å; T127-C162 PolarHBondContact O-N 3.46Å; C129-C162 PolarHBondContact SG-N 3.16Å; C129-C162 VanDerWaalsContact SG-N 3.44Å; C135-C162 VanDerWaalsContact CA-SG 3.53Å; C135-C162 HydrophobicContact CB-CB 3.87Å; C135-C162 WeakPolarHBondContact CB-SG 3.16Å; C135-C162 WeakPolarHBondContact SG-CA 3.39Å; C135-C162 WeakPolarHBondContact SG-CB 3.41Å; C135-C162 CovalentContact SG-SG 2.04Å; C135-C162 PolarHBondContact SG-SG 3.22Å; L151-C162 CarbonylContact O-C 3.58Å; L151-C162 WeakPolarHBondContact O-CA 3.46Å
163E95.8Very high92.1Very high21 Ų2155.1 Ų55.110%0.09830%0.3CS..EExtended strand (participates in β ladder)trans-71.1137.4172.2-177-167.7-125.400110.1R118 R148 T149 L151 E153 T161R118-E163 HydrophobicContact CB-CG 3.94Å; R118-E163 WeakPolarHBondContact CB-OE1 3.39Å; R118-E163 IonicContact NH1-OE2 3.77Å; R148-E163 WeakPolarHBondContact CA-O 3.33Å; T149-E163 VanDerWaalsContact CB-OE2 3.28Å; T149-E163 WeakPolarHBondContact CB-OE2 3.46Å; T149-E163 HydrophobicContact CG2-CG 4.28Å; T149-E163 WeakPolarHBondContact CG2-OE2 3.09Å; T149-E163 PolarHBondContact N-O 2.93Å; T149-E163 WeakPolarHBondContact OG1-CB 3.4Å; T149-E163 WeakPolarHBondContact OG1-CG 3.46Å; T149-E163 PolarHBondContact OG1-O 2.79Å; T149-E163 PolarHBondContact OG1-OE2 3.31Å; L151-E163 HydrophobicContact CB-CB 4.24Å; L151-E163 PolarHBondContact O-N 3.38Å; E153-E163 HydrophobicContact CB-CB 4.23Å; T161-E163 PolarHBondContact O-N 3.25Å
164V95.9Very high90.7Very high1 Ų155.8 Ų55.81%0.00631%0.311CS..EExtended strand (participates in β ladder)trans-124.5143.1176.9-67.10000111.4R118 C119 E121 I147 R148 L170R118-V164 WeakPolarHBondContact CA-O 3.43Å; C119-V164 PolarHBondContact N-O 3.17Å; C119-V164 VanDerWaalsContact N-O 3.11Å; C119-V164 WeakPolarHBondContact O-CG2 3.43Å; C119-V164 PolarHBondContact O-N 3.23Å; E121-V164 HydrophobicContact CB-CG1 4Å; E121-V164 HydrophobicContact CB-CG2 4.22Å; E121-V164 HydrophobicContact CG-CG1 4.36Å; I147-V164 CarbonylContact O-C 3.54Å; I147-V164 VanDerWaalsContact O-CA 3.28Å; I147-V164 WeakPolarHBondContact O-CA 3.49Å; R148-V164 HydrophobicContact CG-CG1 4.18Å; V164-L170 HydrophobicContact CG2-CD1 4.14Å
165L95.7Very high89.3Confident92 Ų9257.9 Ų57.948%0.48232%0.322SS..EExtended strand (participates in β ladder)trans-82.7112.2165.7-177.867.4000108.5R118 I147 T149R118-L165 HydrophobicContact CG-CD1 4.13Å; I147-L165 PolarHBondContact N-O 3.22Å; I147-L165 PolarHBondContact O-N 2.93Å; T149-L165 HydrophobicContact CG2-CB 4.28Å
166S94.9Very high88.4Confident26 Ų2656.3 Ų56.318%0.18232%0.319CS..EExtended strand (participates in β ladder)trans-159.8-168.9-176.8-1640000112.5Q116 S117 N145 C168Q116-S166 WeakPolarHBondContact CA-O 3.17Å; S117-S166 PolarHBondContact N-O 2.99Å; S117-S166 PolarHBondContact O-N 2.76Å; S117-S166 VanDerWaalsContact O-N 3.08Å; N145-S166 VanDerWaalsContact O-CB 3.31Å; N145-S166 WeakPolarHBondContact O-CB 3.34Å; N145-S166 PolarHBondContact O-OG 3.07Å; S166-C168 PolarHBondContact O-N 2.94Å
167W95Very high87.7Confident36 Ų3656.8 Ų56.814%0.13632%0.321CS..EExtended strand (participates in β ladder)trans-81102.4165.7-72.192.9000109.7Q114 T115 Q116 Y302 E310 R312Q114-W167 HydrophobicContact CB-CB 4.17Å; Q114-W167 HydrophobicContact CB-CE3 4.12Å; Q114-W167 PolarHBondContact NE2-O 2.79Å; T115-W167 CarbonylContact O-C 3.58Å; T115-W167 WeakPolarHBondContact O-CA 3.46Å; Q116-W167 HydrophobicContact CG-CD2 3.96Å; Q116-W167 HydrophobicContact CG-CE3 4.04Å; Q116-W167 HydrophobicContact CG-CH2 3.85Å; Q116-W167 HydrophobicContact CG-CZ2 3.76Å; Q116-W167 HydrophobicContact CG-CZ3 3.98Å; W167-Y302 HydrophobicContact CH2-CD1 4.28Å; W167-Y302 AromaticContact CH2-CE1 3.85Å; W167-Y302 HydrophobicContact CH2-CE1 3.85Å; W167-Y302 AromaticContact CZ2-CE1 3.85Å; W167-Y302 HydrophobicContact CZ2-CE1 3.85Å; W167-E310 HydrophobicContact CH2-CG 4.12Å; W167-R312 VanDerWaalsContact CB-NH2 3.27Å; W167-R312 VanDerWaalsContact CD1-NH2 3.33Å; W167-R312 HydrophobicContact CD2-CG 4.14Å; W167-R312 HydrophobicContact CE3-CG 3.64Å; W167-R312 HydrophobicContact CH2-CG 4.41Å; W167-R312 HydrophobicContact CZ3-CB 4.25Å; W167-R312 HydrophobicContact CZ3-CG 3.8Å
168C94.3Very high86.9Confident8 Ų860.7 Ų60.75%0.05432%0.322CS..EExtended strand (participates in β ladder)trans-105.1142.4-175.5-60.70000110.9Q114 T115 S117 C119 S166Q114-C168 CarbonylContact C-O 3.59Å; Q114-C168 VanDerWaalsContact CA-O 3.24Å; Q114-C168 WeakPolarHBondContact CA-O 3.33Å; T115-C168 PolarHBondContact N-O 2.73Å; T115-C168 PolarHBondContact O-N 3.38Å; S117-C168 WeakPolarHBondContact OG-CB 3.42Å; C119-C168 HydrophobicContact CB-CB 3.65Å; C119-C168 WeakPolarHBondContact CB-SG 3.46Å; C119-C168 PolarHBondContact N-SG 2.98Å; C119-C168 VanDerWaalsContact N-SG 3.39Å; C119-C168 WeakPolarHBondContact SG-CB 3.23Å; C119-C168 CovalentContact SG-SG 2.03Å; C119-C168 PolarHBondContact SG-SG 2.84Å; S166-C168 PolarHBondContact O-N 2.94Å
169P93.7Very high86.4Confident76 Ų7663.4 Ų63.449%0.49432%0.322SS..SBendcis-73.8151.92.330.7-35.5000113.1T111 Q114T111-P169 HydrophobicContact CG2-CG 4.29Å; T111-P169 WeakPolarHBondContact CG2-O 3.19Å; Q114-P169 WeakPolarHBondContact CG-O 3.35Å; Q114-P169 PolarHBondContact NE2-O 3.12Å
170L92.3Very high86.1Confident17 Ų1761.6 Ų61.69%0.08931%0.312CS..PPolyproline II helixtrans-69.6151.9179.4-59.2-178.7000112E121 L122 N145 V164 T172E121-L170 WeakPolarHBondContact OE1-CD1 3.4Å; L122-L170 HydrophobicContact CG-CB 4.48Å; L122-L170 HydrophobicContact CG-CD1 4.41Å; N145-L170 HydrophobicContact CB-CD1 4.02Å; N145-L170 HydrophobicContact CB-CD2 3.89Å; N145-L170 HydrophobicContact CB-CG 4.49Å; V164-L170 HydrophobicContact CG2-CD1 4.14Å; L170-T172 PolarHBondContact O-N 3.24Å
171E89.6Confident85.8Confident15 Ų1558.4 Ų58.47%0.0730%0.299CS..PPolyproline II helixtrans-63.5122176.5-179.1-169.9126.600110.6L122 R298 L314 K316L122-E171 WeakPolarHBondContact CD1-O 3.3Å; E171-R298 IonicContact OE1-CZ 3.84Å; E171-R298 IonicContact OE1-NE 3.3Å; E171-R298 PolarHBondContact OE1-NE 3.47Å; E171-R298 IonicContact OE1-NH2 3.56Å; E171-R298 PolarHBondContact OE1-NH2 3.1Å; E171-R298 WeakPolarHBondContact OE2-CD 3.28Å; E171-R298 IonicContact OE2-CZ 3.68Å; E171-R298 IonicContact OE2-NE 2.72Å; E171-R298 PolarHBondContact OE2-NE 3.39Å; E171-R298 IonicContact OE2-NH2 2.77Å; E171-L314 HydrophobicContact CB-CD2 4.02Å; E171-L314 WeakPolarHBondContact OE2-CD2 3.02Å; E171-K316 WeakPolarHBondContact OE1-CD 3.42Å; E171-K316 IonicContact OE1-NZ 3.81Å
172T81.6Confident85.6Confident69 Ų6958.4 Ų58.442%0.42330%0.299SS..  trans-101.4101.3174.2-540000109.8L170 T174L170-T172 PolarHBondContact O-N 3.24Å; T172-T174 HydrophobicContact CG2-CG2 4.15Å
173D71.6Confident85.3Confident54 Ų5460 Ų6029%0.28931%0.313SS..  trans-103.423.3-177.6-170.546.3000112.6N175 K316 Y318D173-N175 VanDerWaalsContact C-N 3.32Å; D173-N175 PolarHBondContact O-N 2.76Å; D173-K316 IonicContact OD1-NZ 2.79Å; D173-K316 IonicContact OD2-NZ 3.63Å; D173-K316 PolarHBondContact OD2-NZ 2.99Å; D173-Y318 PolarHBondContact OD1-OH 3.19Å; D173-Y318 PolarHBondContact OD2-OH 2.6Å
174T65.3Low85.1Confident107 Ų10764 Ų6466%0.65633%0.331SS*.SBendtrans-71.3-22.8-169530000114T172T172-T174 HydrophobicContact CG2-CG2 4.15Å
175N66.2Low85.1Confident144 Ų14464 Ų6477%0.7733%0.331SS*.  trans-140.8101.5179.7-69.4-50.9000111.6D173D173-N175 VanDerWaalsContact C-N 3.32Å; D173-N175 PolarHBondContact O-N 2.76Å
176L73.1Confident85.1Confident54 Ų5461.1 Ų61.128%0.28332%0.315SS..  trans-69.6139.7164.8-71.7170.3000109.9V109 Y318V109-L176 HydrophobicContact CG2-CD2 3.97Å; L176-Y318 HydrophobicContact CD1-CE1 4.04Å; L176-Y318 HydrophobicContact CD2-CD2 4.12Å; L176-Y318 HydrophobicContact CD2-CE1 4.4Å; L176-Y318 HydrophobicContact CD2-CE2 3.45Å; L176-Y318 VanDerWaalsContact CD2-CE2 3.45Å
177P74.8Confident85.1Confident57 Ų5762.5 Ų62.537%0.3732%0.321SS..  trans-62.1143.1177.326.2-34000110.5R179P177-R179 WeakPolarHBondContact CB-O 3.39Å; P177-R179 PolarHBondContact O-N 3.31Å
178K74.6Confident85.2Confident209 Ų20961 Ų6191%0.90932%0.315SS*.SBendtrans-62.8-21.2179.1-69-176.1179.5178.50113.3
179R81.9Confident85.3Confident212 Ų21262.9 Ų62.980%0.833%0.326SS*.SBendtrans-122.3143.4175.3-68.4-176.2-180170.40.4108.8P177P177-R179 WeakPolarHBondContact CB-O 3.39Å; P177-R179 PolarHBondContact O-N 3.31Å
180A85.9Confident85.4Confident7 Ų759.2 Ų59.26%0.05830%0.303CS..  trans-63.1143.1176.900000111.3A250 V251A180-A250 HydrophobicContact CB-CB 3.4Å; A180-V251 HydrophobicContact CB-CG2 4.46Å
181L88.8Confident85.6Confident19 Ų1960.2 Ų60.210%0.09931%0.308CS..THydrogen-bonded Turntrans-59.2-48.4179.9-167.883.4000111.9T77 I79 M82 W87 T106 V108 A183T77-L181 HydrophobicContact CG2-CD2 4.27Å; T77-L181 HydrophobicContact CG2-CG 3.94Å; I79-L181 HydrophobicContact CD1-CD1 3.18Å; I79-L181 HydrophobicContact CD1-CG 4.28Å; I79-L181 HydrophobicContact CG1-CD1 4.3Å; M82-L181 HydrophobicContact CE-CD1 3.38Å; M82-L181 HydrophobicContact CE-CD2 3.6Å; M82-L181 HydrophobicContact CE-CG 4.18Å; W87-L181 HydrophobicContact CZ2-CD2 3.82Å; T106-L181 PolarHBondContact O-N 2.88Å; V108-L181 HydrophobicContact CG1-CD2 3.42Å; V108-L181 VanDerWaalsContact CG1-CD2 3.42Å; L181-A183 PolarHBondContact O-N 3.08Å
182L91.3Very high85.9Confident1 Ų159.5 Ų59.51%0.00530%0.304CS..THydrogen-bonded Turntrans-101.463-179.5-76.170.9000109.5A75 T77 W87 L105 T106 E184 A185A75-L182 HydrophobicContact CB-CD2 4.47Å; A75-L182 HydrophobicContact CB-CG 4.3Å; T77-L182 HydrophobicContact CG2-CD1 4.19Å; T77-L182 HydrophobicContact CG2-CG 4.46Å; W87-L182 HydrophobicContact CB-CD2 4.16Å; W87-L182 HydrophobicContact CD2-CD1 4.24Å; W87-L182 HydrophobicContact CD2-CD2 4.19Å; W87-L182 HydrophobicContact CE3-CD2 4.4Å; W87-L182 HydrophobicContact CG-CD1 4.5Å; W87-L182 HydrophobicContact CG-CD2 4.08Å; W87-L182 HydrophobicContact CG-CG 4.41Å; W87-L182 HydrophobicContact CZ2-CD1 4.4Å; L105-L182 HydrophobicContact CD2-CD1 3.83Å; L105-L182 HydrophobicContact CD2-CD2 4.07Å; T106-L182 PolarHBondContact O-N 2.74Å; L182-E184 PolarHBondContact O-N 2.81Å; L182-A185 HydrophobicContact CB-CB 4.29Å; L182-A185 WeakPolarHBondContact O-CB 3.37Å; L182-A185 PolarHBondContact O-N 2.89Å
183A89.4Confident86.5Confident35 Ų3560.3 Ų60.329%0.28930%0.302SS..G310 helixtrans-58.1-32.5174.900000112.4L181 A185 E186 Q247L181-A183 PolarHBondContact O-N 3.08Å; A183-A185 PolarHBondContact O-N 2.81Å; A183-A185 VanDerWaalsContact O-N 3.17Å; A183-E186 WeakPolarHBondContact O-CG 3.13Å; A183-E186 PolarHBondContact O-N 3.3Å; A183-Q247 PolarHBondContact O-NE2 3.13Å
184E92.1Very high87.6Confident105 Ų10557.8 Ų57.849%0.49129%0.288SS..G310 helixtrans-64.2-13.9175.7-68.7-57.9146.500114.1A75 L182 E186 N187 F188A75-E184 HydrophobicContact CB-CB 4.06Å; L182-E184 PolarHBondContact O-N 2.81Å; E184-E186 PolarHBondContact O-N 2.81Å; E184-E186 VanDerWaalsContact O-N 3.08Å; E184-N187 WeakPolarHBondContact O-CB 3.49Å; E184-N187 PolarHBondContact O-N 2.9Å; E184-N187 PolarHBondContact OE2-ND2 3.39Å; E184-F188 WeakPolarHBondContact O-CD1 3.27Å
185A95.1Very high89.1Confident0 Ų055 Ų550%027%0.273CS..G310 helixtrans-59.2-21175.300000112.4V104 T106 L182 A183 N187 F188 F246V104-A185 HydrophobicContact CG1-CB 4.28Å; T106-A185 HydrophobicContact CG2-CB 4.36Å; L182-A185 HydrophobicContact CB-CB 4.29Å; L182-A185 WeakPolarHBondContact O-CB 3.37Å; L182-A185 PolarHBondContact O-N 2.89Å; A183-A185 PolarHBondContact O-N 2.81Å; A183-A185 VanDerWaalsContact O-N 3.17Å; A185-N187 PolarHBondContact O-N 2.96Å; A185-F188 HydrophobicContact CB-CD2 4Å; A185-F188 HydrophobicContact CB-CE2 3.93Å; A185-F188 HydrophobicContact CB-CG 4.47Å; A185-F188 HydrophobicContact CB-CZ 4.35Å; A185-F188 WeakPolarHBondContact O-CB 3.41Å; A185-F188 PolarHBondContact O-N 3.37Å; A185-F188 VanDerWaalsContact O-N 3.1Å; A185-F246 VanDerWaalsContact C-CZ 3.5Å; A185-F246 HydrophobicContact CB-CE1 4.16Å; A185-F246 HydrophobicContact CB-CZ 3.87Å
186E95.4Very high90.5Very high33 Ų3348.1 Ų48.115%0.15424%0.237CC..G310 helixtrans-58.4-29.2173.476168.4-140.500112.4A183 E184 K236 F246 Q247A183-E186 WeakPolarHBondContact O-CG 3.13Å; A183-E186 PolarHBondContact O-N 3.3Å; E184-E186 PolarHBondContact O-N 2.81Å; E184-E186 VanDerWaalsContact O-N 3.08Å; E186-K236 HydrophobicContact CB-CB 4.09Å; E186-K236 HydrophobicContact CB-CD 4.46Å; E186-K236 HydrophobicContact CG-CD 4.4Å; E186-K236 WeakPolarHBondContact O-CB 3.39Å; E186-K236 PolarHBondContact O-N 2.91Å; E186-K236 IonicContact OE1-NZ 3.48Å; E186-K236 PolarHBondContact OE1-NZ 2.86Å; E186-K236 IonicContact OE2-NZ 3.74Å; E186-F246 HydrophobicContact CB-CB 4.43Å; E186-F246 HydrophobicContact CB-CD1 3.51Å; E186-F246 HydrophobicContact CB-CD2 4.19Å; E186-F246 HydrophobicContact CB-CE1 3.74Å; E186-F246 HydrophobicContact CB-CE2 4.41Å; E186-F246 HydrophobicContact CB-CG 3.77Å; E186-F246 HydrophobicContact CB-CZ 4.2Å; E186-F246 VanDerWaalsContact N-CE1 3.33Å; E186-Q247 PolarHBondContact OE2-NE2 2.65Å
187N96.2Very high91.6Very high55 Ų5547.4 Ų47.429%0.29424%0.235SC..G310 helixtrans-89.8-3.1-177.4-62.9-32.9000113.2E184 A185 R234E184-N187 WeakPolarHBondContact O-CB 3.49Å; E184-N187 PolarHBondContact O-N 2.9Å; E184-N187 PolarHBondContact OE2-ND2 3.39Å; A185-N187 PolarHBondContact O-N 2.96Å; N187-R234 PolarHBondContact OD1-NE 3.09Å; N187-R234 PolarHBondContact OD1-NH2 3.2Å
188F96.8Very high92.6Very high5 Ų544.7 Ų44.72%0.02222%0.217CC..  trans-69.9155.3178.8-65.70.6000110.5K72 G73 F74 A75 Y92 V104 E184 A185 R234 L235K72-F188 WeakPolarHBondContact O-CA 3.17Å; G73-F188 VanDerWaalsContact CA-CD1 3.48Å; F74-F188 WeakPolarHBondContact O-CE1 3.34Å; A75-F188 HydrophobicContact CB-CE1 4.4Å; A75-F188 HydrophobicContact CB-CZ 3.94Å; Y92-F188 AromaticContact CD1-CE2 3.7Å; Y92-F188 HydrophobicContact CD1-CE2 3.7Å; Y92-F188 HydrophobicContact CD1-CZ 4.26Å; Y92-F188 HydrophobicContact CD2-CD2 4.38Å; Y92-F188 HydrophobicContact CD2-CE2 4.1Å; Y92-F188 HydrophobicContact CE1-CD2 4.1Å; Y92-F188 AromaticContact CE1-CE2 3.35Å; Y92-F188 HydrophobicContact CE1-CE2 3.35Å; Y92-F188 AromaticContact CE1-CZ 3.81Å; Y92-F188 HydrophobicContact CE1-CZ 3.81Å; Y92-F188 AromaticContact CE2-CD2 3.83Å; Y92-F188 HydrophobicContact CE2-CD2 3.83Å; Y92-F188 AromaticContact CE2-CE2 3.81Å; Y92-F188 HydrophobicContact CE2-CE2 3.81Å; Y92-F188 HydrophobicContact CG-CE2 4.08Å; Y92-F188 AromaticContact CZ-CD2 3.66Å; Y92-F188 AromaticContact CZ-CE2 3.41Å; Y92-F188 VanDerWaalsContact CZ-CE2 3.41Å; V104-F188 HydrophobicContact CG1-CD2 4.21Å; E184-F188 WeakPolarHBondContact O-CD1 3.27Å; A185-F188 HydrophobicContact CB-CD2 4Å; A185-F188 HydrophobicContact CB-CE2 3.93Å; A185-F188 HydrophobicContact CB-CG 4.47Å; A185-F188 HydrophobicContact CB-CZ 4.35Å; A185-F188 WeakPolarHBondContact O-CB 3.41Å; A185-F188 PolarHBondContact O-N 3.37Å; A185-F188 VanDerWaalsContact O-N 3.1Å; F188-R234 WeakPolarHBondContact O-CA 3.27Å; F188-L235 HydrophobicContact CB-CD1 3.8Å; F188-L235 HydrophobicContact CB-CG 4.11Å; F188-L235 PolarHBondContact O-N 2.79Å
189T96.8Very high93.6Very high46 Ų4638 Ų3828%0.28219%0.194SC..EExtended strand (participates in β ladder)trans-118.4145.3179.857.20000110.4V71 K72 I232 F233V71-T189 CarbonylContact C-O 3.53Å; V71-T189 WeakPolarHBondContact CA-O 3.43Å; K72-T189 PolarHBondContact N-O 2.83Å; K72-T189 PolarHBondContact O-N 2.98Å; K72-T189 PolarHBondContact O-OG1 2.83Å; T189-I232 HydrophobicContact CG2-CG2 4.3Å; T189-F233 CarbonylContact C-O 3.57Å; T189-F233 WeakPolarHBondContact CA-O 3.41Å
190V95.8Very high94.2Very high0 Ų033.3 Ų33.30%018%0.18CC..EExtended strand (participates in β ladder)trans-121126.1171.761.20000109.5V71 F102 I192 I232 F233 L235 I238V71-V190 HydrophobicContact CG2-CB 4.44Å; V71-V190 HydrophobicContact CG2-CG2 4.19Å; F102-V190 HydrophobicContact CE1-CG2 3.88Å; F102-V190 HydrophobicContact CE2-CB 4.41Å; F102-V190 HydrophobicContact CE2-CG2 4.21Å; F102-V190 HydrophobicContact CZ-CB 4.04Å; F102-V190 HydrophobicContact CZ-CG1 4.01Å; F102-V190 HydrophobicContact CZ-CG2 3.7Å; V190-I192 HydrophobicContact CG1-CG1 4.41Å; V190-I192 HydrophobicContact CG2-CG1 4.06Å; V190-I232 WeakPolarHBondContact O-CA 3.37Å; V190-F233 HydrophobicContact CG1-CB 3.9Å; V190-F233 PolarHBondContact N-O 3.14Å; V190-F233 PolarHBondContact O-N 3.12Å; V190-L235 HydrophobicContact CB-CD2 4.39Å; V190-L235 HydrophobicContact CG1-CD2 4.05Å; V190-I238 HydrophobicContact CG1-CD1 3.85Å
191L95Very high94.5Very high38 Ų3834.3 Ų34.320%0.19918%0.183CC..EExtended strand (participates in β ladder)trans-90.1119167172.466.1000108.5T69 K70 K193 I208 P231 I232T69-L191 CarbonylContact C-O 3.58Å; T69-L191 WeakPolarHBondContact CA-O 3.44Å; K70-L191 HydrophobicContact CB-CB 4.43Å; K70-L191 PolarHBondContact N-O 2.65Å; K70-L191 PolarHBondContact O-N 2.83Å; L191-K193 HydrophobicContact CD2-CG 4.43Å; L191-K193 HydrophobicContact CG-CG 4.3Å; L191-I208 HydrophobicContact CD1-CD1 4.46Å; L191-P231 HydrophobicContact CD1-CB 3.89Å; L191-P231 HydrophobicContact CD1-CG 3.67Å; L191-I232 HydrophobicContact CB-CG1 4.33Å; L191-I232 HydrophobicContact CD1-CD1 4.48Å; L191-I232 HydrophobicContact CD1-CG1 3.72Å
192I95.6Very high94.7Very high0 Ų039.5 Ų39.50%021%0.211CC..EExtended strand (participates in β ladder)trans-104.5117.1175.8-56.1178.9000108.3V67 T69 V190 N207 P231 F233 I258 I260 V324V67-I192 HydrophobicContact CG1-CG2 4.15Å; T69-I192 HydrophobicContact CG2-CG1 4.33Å; V190-I192 HydrophobicContact CG1-CG1 4.41Å; V190-I192 HydrophobicContact CG2-CG1 4.06Å; I192-N207 PolarHBondContact O-ND2 3.37Å; I192-P231 PolarHBondContact N-O 3.27Å; I192-P231 WeakPolarHBondContact O-CB 3.21Å; I192-F233 HydrophobicContact CB-CE2 4.22Å; I192-F233 HydrophobicContact CD1-CD2 3.85Å; I192-F233 HydrophobicContact CD1-CE2 3.88Å; I192-F233 HydrophobicContact CG1-CD2 4.07Å; I192-F233 HydrophobicContact CG1-CE2 4.15Å; I192-I258 HydrophobicContact CD1-CD1 3.81Å; I192-I258 HydrophobicContact CD1-CG2 3.96Å; I192-I260 HydrophobicContact CG2-CD1 4.16Å; I192-V324 HydrophobicContact CD1-CG2 4.38Å; I192-V324 HydrophobicContact CG2-CG1 4.28Å
193K94.5Very high94.8Very high86 Ų8641.2 Ų41.237%0.37422%0.218SC..EExtended strand (participates in β ladder)trans-103.6118.5171.4-61.3176.8-179.2179.50107.9V67 T68 L191 I208V67-K193 CarbonylContact C-O 3.57Å; V67-K193 WeakPolarHBondContact CA-O 3.32Å; T68-K193 PolarHBondContact N-O 3.02Å; T68-K193 PolarHBondContact O-N 3.2Å; T68-K193 WeakPolarHBondContact OG1-CB 3.36Å; L191-K193 HydrophobicContact CD2-CG 4.43Å; L191-K193 HydrophobicContact CG-CG 4.3Å; K193-I208 HydrophobicContact CG-CD1 4Å
194N95.9Very high95Very high0 Ų045.1 Ų45.10%023%0.23CC..EExtended strand (participates in β ladder)trans-124.8129.6178.3174.1-121.9000110.3T66 V67 R206 N207 I260 W262T66-N194 WeakPolarHBondContact O-CA 3.49Å; T66-N194 PolarHBondContact O-ND2 3.22Å; T66-N194 VanDerWaalsContact O-ND2 3.15Å; V67-N194 HydrophobicContact CG2-CB 4.38Å; V67-N194 WeakPolarHBondContact CG2-ND2 3.44Å; N194-R206 WeakPolarHBondContact O-CA 3.05Å; N194-N207 HydrophobicContact CB-CB 4.48Å; N194-N207 PolarHBondContact N-OD1 3.18Å; N194-N207 PolarHBondContact O-N 3.46Å; N194-N207 PolarHBondContact O-OD1 3.49Å; N194-N207 VanDerWaalsContact O-OD1 3.14Å; N194-I260 HydrophobicContact CB-CD1 4.4Å; N194-W262 PolarHBondContact OD1-NE1 3.15Å
195S95.1Very high95.1Very high48 Ų4841.8 Ų41.834%0.33621%0.214SC..EExtended strand (participates in β ladder)trans-116134.3174.2-60.50000108.2S65 T66S65-S195 CarbonylContact C-O 3.59Å; S65-S195 WeakPolarHBondContact CA-O 3.13Å; T66-S195 PolarHBondContact N-O 3.25Å; T66-S195 PolarHBondContact O-N 3.12Å
196I96.1Very high95Very high1 Ų148.2 Ų48.21%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-124.6148.417958.6142.5000111V63 I64 Y198 H204 K205 W262 V326V63-I196 HydrophobicContact CG2-CB 3.57Å; V63-I196 HydrophobicContact CG2-CD1 4.44Å; V63-I196 HydrophobicContact CG2-CG2 3.54Å; I64-I196 CarbonylContact O-C 3.54Å; I64-I196 WeakPolarHBondContact O-CA 3.38Å; I196-Y198 HydrophobicContact CD1-CD2 4.36Å; I196-Y198 HydrophobicContact CD1-CE2 3.67Å; I196-H204 WeakPolarHBondContact O-CA 3.14Å; I196-K205 HydrophobicContact CD1-CB 4.11Å; I196-K205 HydrophobicContact CG1-CB 3.94Å; I196-K205 WeakPolarHBondContact CG1-O 3.48Å; I196-K205 PolarHBondContact N-O 3.13Å; I196-K205 PolarHBondContact O-N 2.84Å; I196-W262 HydrophobicContact CD1-CB 4.12Å; I196-W262 HydrophobicContact CD1-CD2 3.52Å; I196-W262 HydrophobicContact CD1-CE3 3.41Å; I196-W262 VanDerWaalsContact CD1-CE3 3.41Å; I196-W262 HydrophobicContact CD1-CG 3.88Å; I196-W262 HydrophobicContact CD1-CH2 4.47Å; I196-W262 HydrophobicContact CD1-CZ3 3.93Å; I196-W262 HydrophobicContact CG1-CD2 3.96Å; I196-W262 HydrophobicContact CG1-CE3 4.11Å; I196-W262 HydrophobicContact CG1-CG 4.41Å; I196-W262 HydrophobicContact CG1-CH2 4.37Å; I196-W262 HydrophobicContact CG1-CZ2 4.25Å; I196-W262 HydrophobicContact CG1-CZ3 4.32Å; I196-W262 HydrophobicContact CG2-CD2 4.13Å; I196-W262 HydrophobicContact CG2-CG 3.93Å; I196-V326 HydrophobicContact CG2-CG1 4.22Å
197T96.2Very high95Very high39 Ų3946.8 Ų46.824%0.23923%0.232CC..EExtended strand (participates in β ladder)trans-136.7134.7175.3-60.30000109.4I64 P199 F203 H204I64-T197 PolarHBondContact N-O 2.93Å; I64-T197 PolarHBondContact O-N 2.02Å; T197-P199 HydrophobicContact CG2-CG 4.15Å; T197-P199 WeakPolarHBondContact O-CD 3.5Å; T197-F203 CarbonylContact C-O 2.94Å; T197-F203 WeakPolarHBondContact CA-O 3.21Å; T197-H204 WeakPolarHBondContact CG2-CE1 3.48Å; T197-H204 VanDerWaalsContact CG2-ND1 3.27Å; T197-H204 WeakPolarHBondContact CG2-ND1 3.25Å; T197-H204 PolarHBondContact OG1-ND1 3.03Å
198Y96.1Very high94.8Very high0 Ų045.3 Ų45.30%022%0.224CC..EExtended strand (participates in β ladder)trans-109.192.3164.9-65.6-72.5000107.5D61 V63 I196 K200 F201 N202 F203 W262 A330D61-Y198 HydrophobicContact CB-CD1 4.23Å; D61-Y198 WeakPolarHBondContact O-CE1 3.25Å; D61-Y198 WeakPolarHBondContact OD2-CA 3.41Å; V63-Y198 VanDerWaalsContact CA-CE1 3.45Å; V63-Y198 HydrophobicContact CB-CD1 4.34Å; V63-Y198 HydrophobicContact CB-CE1 3.54Å; V63-Y198 HydrophobicContact CG2-CE1 4.07Å; I196-Y198 HydrophobicContact CD1-CD2 4.36Å; I196-Y198 HydrophobicContact CD1-CE2 3.67Å; Y198-K200 PolarHBondContact O-N 3.2Å; Y198-F201 PolarHBondContact O-N 2.94Å; Y198-F201 VanDerWaalsContact O-N 3.14Å; Y198-N202 PolarHBondContact O-N 2.81Å; Y198-N202 VanDerWaalsContact O-N 3.12Å; Y198-F203 AromaticContact CD2-CD1 3.8Å; Y198-F203 HydrophobicContact CD2-CD1 3.8Å; Y198-F203 HydrophobicContact CD2-CE1 4.43Å; Y198-F203 HydrophobicContact CE2-CD1 4.46Å; Y198-F203 PolarHBondContact N-O 3.2Å; Y198-F203 PolarHBondContact O-N 2.88Å; Y198-W262 PolarHBondContact OH-O 2.79Å; Y198-A330 HydrophobicContact CD1-CB 3.53Å; Y198-A330 HydrophobicContact CD2-CB 3.55Å; Y198-A330 HydrophobicContact CE1-CB 3.57Å; Y198-A330 HydrophobicContact CE2-CB 3.61Å; Y198-A330 HydrophobicContact CG-CB 3.52Å
199P95.1Very high94.4Very high67 Ų6746 Ų4644%0.43523%0.228SC..G310 helixtrans-57.7-37.8-171.3-23.532.7000112.8D61 I64 T197 F201 N202D61-P199 VanDerWaalsContact OD2-CD 3.27Å; D61-P199 WeakPolarHBondContact OD2-CD 3.25Å; D61-P199 VanDerWaalsContact OD2-N 3.12Å; I64-P199 HydrophobicContact CD1-CG 3.53Å; I64-P199 HydrophobicContact CG1-CG 4.17Å; T197-P199 HydrophobicContact CG2-CG 4.15Å; T197-P199 WeakPolarHBondContact O-CD 3.5Å; P199-F201 PolarHBondContact O-N 2.93Å; P199-N202 PolarHBondContact O-N 2.87Å; P199-N202 VanDerWaalsContact O-N 3.09Å
200K94.4Very high93.8Very high115 Ų11550 Ų5050%0.526%0.257SS..G310 helixtrans-60.6-32.1-178.3-169.4175.5-179.8-173.40112.4E59 D61 Y198E59-K200 WeakPolarHBondContact OE2-CE 3.44Å; E59-K200 IonicContact OE2-NZ 2.92Å; E59-K200 PolarHBondContact OE2-NZ 3.27Å; D61-K200 HydrophobicContact CB-CB 3.79Å; D61-K200 HydrophobicContact CB-CD 4.31Å; D61-K200 WeakPolarHBondContact OD2-CB 3.27Å; D61-K200 PolarHBondContact OD2-N 2.61Å; Y198-K200 PolarHBondContact O-N 3.2Å
201F92.9Very high93.3Very high28 Ų2856.2 Ų56.212%0.12329%0.286CS..G310 helixtrans-102.92.4-179.8-51-49.8000113.5E59 D61 Y198 P199 F203 L266 A330 K332E59-F201 HydrophobicContact CB-CE1 4.16Å; E59-F201 HydrophobicContact CB-CZ 4.24Å; E59-F201 VanDerWaalsContact O-CZ 3.23Å; E59-F201 WeakPolarHBondContact O-CZ 3.4Å; D61-F201 HydrophobicContact CB-CD2 3.9Å; D61-F201 HydrophobicContact CB-CE2 3.36Å; D61-F201 HydrophobicContact CB-CZ 3.92Å; Y198-F201 PolarHBondContact O-N 2.94Å; Y198-F201 VanDerWaalsContact O-N 3.14Å; P199-F201 PolarHBondContact O-N 2.93Å; F201-F203 HydrophobicContact CB-CB 4.34Å; F201-F203 PolarHBondContact O-N 3.45Å; F201-L266 HydrophobicContact CB-CD1 3.92Å; F201-L266 HydrophobicContact CD2-CD1 3.59Å; F201-L266 HydrophobicContact CE2-CD1 4.43Å; F201-L266 HydrophobicContact CG-CD1 3.97Å; F201-A330 HydrophobicContact CD2-CB 3.98Å; F201-A330 HydrophobicContact CE2-CB 3.91Å; F201-A330 WeakPolarHBondContact CE2-O 3.46Å; F201-K332 HydrophobicContact CB-CD 4.24Å; F201-K332 HydrophobicContact CD1-CB 3.77Å; F201-K332 HydrophobicContact CD1-CD 3.8Å; F201-K332 HydrophobicContact CD1-CG 4.4Å; F201-K332 HydrophobicContact CD2-CB 4.39Å; F201-K332 HydrophobicContact CE1-CB 3.68Å; F201-K332 HydrophobicContact CE1-CD 4.48Å; F201-K332 HydrophobicContact CE2-CB 4.29Å; F201-K332 HydrophobicContact CG-CB 4.14Å; F201-K332 HydrophobicContact CG-CD 4.11Å; F201-K332 HydrophobicContact CZ-CB 3.96Å
202N93.6Very high92.9Very high127 Ų12755.6 Ų55.668%0.67928%0.283SS*.THydrogen-bonded Turntrans47.642-171.4-165.533.1000112.2Y198 P199 H204Y198-N202 PolarHBondContact O-N 2.81Å; Y198-N202 VanDerWaalsContact O-N 3.12Å; P199-N202 PolarHBondContact O-N 2.87Å; P199-N202 VanDerWaalsContact O-N 3.09Å; N202-H204 PolarHBondContact OD1-NE2 3Å
203F93.3Very high92.7Very high37 Ų3760.8 Ų60.816%0.16231%0.311CS..EExtended strand (participates in β ladder)trans-107.3125.9-176.9179.3-89.6000110.3T197 Y198 F201 K205 L266 A270 C273T197-F203 CarbonylContact C-O 2.94Å; T197-F203 WeakPolarHBondContact CA-O 3.21Å; Y198-F203 AromaticContact CD2-CD1 3.8Å; Y198-F203 HydrophobicContact CD2-CD1 3.8Å; Y198-F203 HydrophobicContact CD2-CE1 4.43Å; Y198-F203 HydrophobicContact CE2-CD1 4.46Å; Y198-F203 PolarHBondContact N-O 3.2Å; Y198-F203 PolarHBondContact O-N 2.88Å; F201-F203 HydrophobicContact CB-CB 4.34Å; F201-F203 PolarHBondContact O-N 3.45Å; F203-K205 HydrophobicContact CE1-CB 3.69Å; F203-K205 HydrophobicContact CE1-CD 4.07Å; F203-K205 HydrophobicContact CZ-CB 4.09Å; F203-K205 HydrophobicContact CZ-CD 3.73Å; F203-L266 HydrophobicContact CB-CD1 4.17Å; F203-L266 HydrophobicContact CD1-CD2 4.31Å; F203-L266 HydrophobicContact CD2-CD2 4.05Å; F203-L266 HydrophobicContact CE1-CD2 4.16Å; F203-L266 HydrophobicContact CE2-CD2 3.94Å; F203-L266 HydrophobicContact CG-CD1 4.23Å; F203-L266 HydrophobicContact CG-CD2 4.2Å; F203-L266 HydrophobicContact CZ-CD2 3.95Å; F203-A270 HydrophobicContact CE2-CB 3.9Å; F203-C273 HydrophobicContact CZ-CB 4.23Å
204H93.4Very high92.5Very high117 Ų11760.8 Ų60.854%0.54232%0.321SS..EExtended strand (participates in β ladder)trans-121.8137.2177.6-54.1-83.4000110.1I196 T197 N202I196-H204 WeakPolarHBondContact O-CA 3.14Å; T197-H204 WeakPolarHBondContact CG2-CE1 3.48Å; T197-H204 VanDerWaalsContact CG2-ND1 3.27Å; T197-H204 WeakPolarHBondContact CG2-ND1 3.25Å; T197-H204 PolarHBondContact OG1-ND1 3.03Å; N202-H204 PolarHBondContact OD1-NE2 3Å
205K93.4Very high92.3Very high35 Ų3564.8 Ų64.815%0.15235%0.346CS..EExtended strand (participates in β ladder)trans-147.8158.8175.3-161155.3-171.6177.70111.8I196 F203 W262 A270 R271 C273I196-K205 HydrophobicContact CD1-CB 4.11Å; I196-K205 HydrophobicContact CG1-CB 3.94Å; I196-K205 WeakPolarHBondContact CG1-O 3.48Å; I196-K205 PolarHBondContact N-O 3.13Å; I196-K205 PolarHBondContact O-N 2.84Å; F203-K205 HydrophobicContact CE1-CB 3.69Å; F203-K205 HydrophobicContact CE1-CD 4.07Å; F203-K205 HydrophobicContact CZ-CB 4.09Å; F203-K205 HydrophobicContact CZ-CD 3.73Å; K205-W262 HydrophobicContact CB-CZ3 4.42Å; K205-W262 HydrophobicContact CD-CZ3 4.1Å; K205-W262 HydrophobicContact CG-CH2 4.19Å; K205-W262 HydrophobicContact CG-CZ3 4.11Å; K205-A270 PolarHBondContact NZ-O 3.23Å; K205-R271 PolarHBondContact NZ-O 2.93Å; K205-C273 HydrophobicContact CD-CB 4.16Å; K205-C273 WeakPolarHBondContact CD-O 3.47Å; K205-C273 WeakPolarHBondContact CE-O 3.25Å; K205-C273 PolarHBondContact NZ-O 2.02Å
206R94.3Very high92.1Very high135 Ų13565.7 Ų65.751%0.50934%0.342SS..EExtended strand (participates in β ladder)trans-127.6150177.2-63.717560.5-164.5-5.3108.8N194 I208N194-R206 WeakPolarHBondContact O-CA 3.05Å; R206-I208 VanDerWaalsContact C-N 3.3Å
207N94.3Very high91.9Very high4 Ų468 Ų682%0.02136%0.355CS..SBendtrans-65.9-35.9174.270.1-38.5000112I192 N194 L209 W262 P275 Y277I192-N207 PolarHBondContact O-ND2 3.37Å; N194-N207 HydrophobicContact CB-CB 4.48Å; N194-N207 PolarHBondContact N-OD1 3.18Å; N194-N207 PolarHBondContact O-N 3.46Å; N194-N207 PolarHBondContact O-OD1 3.49Å; N194-N207 VanDerWaalsContact O-OD1 3.14Å; N207-L209 PolarHBondContact O-N 3.11Å; N207-W262 HydrophobicContact CB-CZ2 4.02Å; N207-P275 HydrophobicContact CB-CG 4.03Å; N207-Y277 WeakPolarHBondContact CB-OH 3.49Å; N207-Y277 PolarHBondContact ND2-OH 3.29Å
208I92.9Very high91.6Very high24 Ų2474.8 Ų74.812%0.12338%0.381CS..SBendtrans-76.3106.7170.6-50.9-172.6000108.3L191 K193 R206 I212 P231L191-I208 HydrophobicContact CD1-CD1 4.46Å; K193-I208 HydrophobicContact CG-CD1 4Å; R206-I208 VanDerWaalsContact C-N 3.3Å; I208-I212 HydrophobicContact CG2-CB 4.18Å; I208-I212 HydrophobicContact CG2-CD1 4.34Å; I208-I212 HydrophobicContact CG2-CG2 4.16Å; I208-P231 HydrophobicContact CD1-CB 4.43Å; I208-P231 HydrophobicContact CD1-CG 4.12Å; I208-P231 HydrophobicContact CG1-CB 4.06Å; I208-P231 HydrophobicContact CG1-CG 3.96Å
209L87.1Confident91.4Very high19 Ų1985 Ų8510%0.09942%0.419CS..  trans-65.4149.3-179.5-53.4175.2000111N207 H211 I212 N229 Y274N207-L209 PolarHBondContact O-N 3.11Å; L209-H211 WeakPolarHBondContact CD1-CE1 3.39Å; L209-H211 PolarHBondContact O-N 3.05Å; L209-I212 HydrophobicContact CB-CD1 3.91Å; L209-I212 HydrophobicContact CB-CG1 4.07Å; L209-I212 HydrophobicContact CG-CD1 4.19Å; L209-I212 WeakPolarHBondContact O-CB 2.98Å; L209-I212 PolarHBondContact O-N 3.19Å; L209-N229 HydrophobicContact CD1-CB 4.47Å; L209-Y274 HydrophobicContact CD1-CD1 4.43Å; L209-Y274 HydrophobicContact CD1-CE1 3.8Å; L209-Y274 HydrophobicContact CD2-CD1 4.06Å; L209-Y274 HydrophobicContact CD2-CE1 3.73Å; L209-Y274 HydrophobicContact CG-CE1 4.44Å
210S84.8Confident91.4Very high129 Ų12982.5 Ų82.590%0.90240%0.403SS*.THydrogen-bonded Turntrans-62.7-24.5-175.352.40000114.7I212S210-I212 VanDerWaalsContact C-N 3.34Å
211H84.6Confident91.4Very high132 Ų13280.5 Ų80.561%0.61140%0.396SS*.THydrogen-bonded Turntrans-87.6-1.4178.566.6-90.7000113.4L209L209-H211 WeakPolarHBondContact CD1-CE1 3.39Å; L209-H211 PolarHBondContact O-N 3.05Å
212I87.6Confident91.6Very high25 Ų2579.4 Ų79.413%0.12839%0.391CS..  trans-78124.8-180-71.5175000109.8I208 L209 S210 Y216 L217I208-I212 HydrophobicContact CG2-CB 4.18Å; I208-I212 HydrophobicContact CG2-CD1 4.34Å; I208-I212 HydrophobicContact CG2-CG2 4.16Å; L209-I212 HydrophobicContact CB-CD1 3.91Å; L209-I212 HydrophobicContact CB-CG1 4.07Å; L209-I212 HydrophobicContact CG-CD1 4.19Å; L209-I212 WeakPolarHBondContact O-CB 2.98Å; L209-I212 PolarHBondContact O-N 3.19Å; S210-I212 VanDerWaalsContact C-N 3.34Å; I212-Y216 HydrophobicContact CB-CD1 4.4Å; I212-Y216 HydrophobicContact CD1-CD1 4.47Å; I212-Y216 HydrophobicContact CD1-CE1 3.98Å; I212-Y216 HydrophobicContact CG1-CD1 4.3Å; I212-Y216 HydrophobicContact CG1-CE1 4.23Å; I212-Y216 HydrophobicContact CG2-CD1 3.36Å; I212-Y216 HydrophobicContact CG2-CE1 3.92Å; I212-Y216 HydrophobicContact CG2-CG 4.24Å; I212-L217 HydrophobicContact CG2-CD1 4.37Å; I212-L217 HydrophobicContact CG2-CD2 3.88Å; I212-L217 HydrophobicContact CG2-CG 3.8Å
213N91.4Very high91.6Very high109 Ų10976.5 Ų76.558%0.58338%0.375SS*.  trans-95.1161.7179.7-68.2-10.6000112.3T215 Y216 L217N213-T215 PolarHBondContact O-N 3.11Å; N213-Y216 WeakPolarHBondContact O-CB 3.44Å; N213-Y216 PolarHBondContact O-N 2.78Å; N213-Y216 VanDerWaalsContact O-N 3.13Å; N213-L217 PolarHBondContact O-N 2.67Å
214S89.1Confident91.6Very high85 Ų8579.4 Ų79.459%0.59439%0.385SS*.Hα-helixtrans-59.9-31.3175.447.90000113.2L217 K218S214-L217 PolarHBondContact O-N 3.49Å; S214-K218 WeakPolarHBondContact O-CG 3.36Å; S214-K218 PolarHBondContact O-N 2.75Å
215T91.9Very high91.5Very high84 Ų8483 Ų8352%0.51540%0.399SS..Hα-helixtrans-64.8-39.1175.3-39.90000112.3N213 K218N213-T215 PolarHBondContact O-N 3.11Å; T215-K218 PolarHBondContact O-N 3.44Å
216Y91.9Very high91.5Very high68 Ų6886.8 Ų86.827%0.26743%0.426SS..Hα-helixtrans-66.4-47175.7168.9-92000110.4I212 N213 K218 R219 C220 D227 C230I212-Y216 HydrophobicContact CB-CD1 4.4Å; I212-Y216 HydrophobicContact CD1-CD1 4.47Å; I212-Y216 HydrophobicContact CD1-CE1 3.98Å; I212-Y216 HydrophobicContact CG1-CD1 4.3Å; I212-Y216 HydrophobicContact CG1-CE1 4.23Å; I212-Y216 HydrophobicContact CG2-CD1 3.36Å; I212-Y216 HydrophobicContact CG2-CE1 3.92Å; I212-Y216 HydrophobicContact CG2-CG 4.24Å; N213-Y216 WeakPolarHBondContact O-CB 3.44Å; N213-Y216 PolarHBondContact O-N 2.78Å; N213-Y216 VanDerWaalsContact O-N 3.13Å; Y216-K218 PolarHBondContact O-N 3.47Å; Y216-K218 VanDerWaalsContact O-N 3.07Å; Y216-R219 PolarHBondContact O-N 2.93Å; Y216-C220 HydrophobicContact CD1-CB 4.05Å; Y216-C220 HydrophobicContact CD2-CB 4.02Å; Y216-C220 HydrophobicContact CE1-CB 3.7Å; Y216-C220 WeakPolarHBondContact CE1-SG 3.42Å; Y216-C220 HydrophobicContact CE2-CB 3.61Å; Y216-C220 HydrophobicContact CG-CB 4.24Å; Y216-C220 VanDerWaalsContact CZ-CB 3.47Å; Y216-C220 WeakPolarHBondContact O-CB 3.41Å; Y216-C220 PolarHBondContact O-N 2.91Å; Y216-D227 VanDerWaalsContact CE2-OD2 3.27Å; Y216-D227 WeakPolarHBondContact CE2-OD2 3.36Å; Y216-D227 VanDerWaalsContact CZ-OD2 3.29Å; Y216-D227 PolarHBondContact OH-OD1 3.21Å; Y216-D227 PolarHBondContact OH-OD2 2.94Å; Y216-C230 VanDerWaalsContact OH-CA 3.32Å; Y216-C230 WeakPolarHBondContact OH-CA 3.38Å; Y216-C230 WeakPolarHBondContact OH-CB 3.47Å; Y216-C230 PolarHBondContact OH-N 3.1Å
217L91.3Very high91.5Very high50 Ų5082 Ų8226%0.26241%0.41SS..Hα-helixtrans-63-16.5178.2-67.1178.6000114.2I212 N213 S214 P231 I232I212-L217 HydrophobicContact CG2-CD1 4.37Å; I212-L217 HydrophobicContact CG2-CD2 3.88Å; I212-L217 HydrophobicContact CG2-CG 3.8Å; N213-L217 PolarHBondContact O-N 2.67Å; S214-L217 PolarHBondContact O-N 3.49Å; L217-P231 HydrophobicContact CD2-CG 3.62Å; L217-I232 WeakPolarHBondContact O-CD1 3.29Å
218K89.8Confident91.4Very high181 Ų18184.2 Ų84.279%0.78743%0.425SS*.THydrogen-bonded Turntrans-81.6-18.6174.4-75.5176.1-179.4-176.10113.3S214 T215 Y216S214-K218 WeakPolarHBondContact O-CG 3.36Å; S214-K218 PolarHBondContact O-N 2.75Å; T215-K218 PolarHBondContact O-N 3.44Å; Y216-K218 PolarHBondContact O-N 3.47Å; Y216-K218 VanDerWaalsContact O-N 3.07Å
219R92.3Very high91.3Very high213 Ų21385.5 Ų85.580%0.80443%0.432SS*.THydrogen-bonded Turntrans-124.4-25.2-170.6-66.3-177.2179.3173.1-0.6113.9Y216Y216-R219 PolarHBondContact O-N 2.93Å
220C94.6Very high91.7Very high15 Ų1584.6 Ų84.610%0.10143%0.427CS..  trans-67.5142.3-176.386.30000110.2Y216 C230Y216-C220 HydrophobicContact CD1-CB 4.05Å; Y216-C220 HydrophobicContact CD2-CB 4.02Å; Y216-C220 HydrophobicContact CE1-CB 3.7Å; Y216-C220 WeakPolarHBondContact CE1-SG 3.42Å; Y216-C220 HydrophobicContact CE2-CB 3.61Å; Y216-C220 HydrophobicContact CG-CB 4.24Å; Y216-C220 VanDerWaalsContact CZ-CB 3.47Å; Y216-C220 WeakPolarHBondContact O-CB 3.41Å; Y216-C220 PolarHBondContact O-N 2.91Å; C220-C230 HydrophobicContact CB-CB 3.7Å; C220-C230 WeakPolarHBondContact CB-SG 3.46Å; C220-C230 PolarHBondContact O-SG 2.82Å; C220-C230 VanDerWaalsContact O-SG 3.35Å; C220-C230 WeakPolarHBondContact SG-CB 3.48Å; C220-C230 CovalentContact SG-SG 2.06Å; C220-C230 PolarHBondContact SG-SG 3.1Å
221E95.4Very high92.2Very high74 Ų7478.5 Ų78.535%0.34638%0.384SS..  trans-131.8132.4168.3-175.5176.6168.500106.7N223 C230 R234 H237E221-N223 PolarHBondContact O-N 2.8Å; E221-C230 PolarHBondContact N-SG 3.39Å; E221-C230 VanDerWaalsContact N-SG 3.43Å; E221-R234 VanDerWaalsContact OE1-CB 3.25Å; E221-R234 WeakPolarHBondContact OE1-CB 3.32Å; E221-R234 WeakPolarHBondContact OE1-CD 3.13Å; E221-H237 IonicContact OE1-CE1 3.31Å; E221-H237 PolarHBondContact OE1-CE1 2.92Å; E221-H237 IonicContact OE1-ND1 2.88Å; E221-H237 PolarHBondContact OE1-ND1 3.35Å
222F96Very high92.7Very high5 Ų573.4 Ų73.42%0.02236%0.361CS..  trans-59.6130.2-179.3171-92.1000110.8P228 C230 I232 F233 Y277 F279F222-P228 WeakPolarHBondContact CE2-O 3.38Å; F222-C230 HydrophobicContact CB-CB 4.43Å; F222-I232 WeakPolarHBondContact CB-O 3.25Å; F222-I232 PolarHBondContact N-O 2.83Å; F222-F233 HydrophobicContact CB-CD1 3.51Å; F222-F233 HydrophobicContact CB-CE1 3.61Å; F222-F233 HydrophobicContact CB-CG 4.1Å; F222-F233 HydrophobicContact CB-CZ 4.25Å; F222-F233 AromaticContact CD1-CD1 3.4Å; F222-F233 HydrophobicContact CD1-CD1 3.4Å; F222-F233 VanDerWaalsContact CD1-CD1 3.4Å; F222-F233 AromaticContact CD1-CE1 3.4Å; F222-F233 HydrophobicContact CD1-CE1 3.4Å; F222-F233 VanDerWaalsContact CD1-CE1 3.4Å; F222-F233 HydrophobicContact CD2-CD1 4.16Å; F222-F233 AromaticContact CD2-CE1 3.42Å; F222-F233 HydrophobicContact CD2-CE1 3.42Å; F222-F233 VanDerWaalsContact CD2-CE1 3.42Å; F222-F233 AromaticContact CD2-CZ 3.95Å; F222-F233 HydrophobicContact CD2-CZ 3.95Å; F222-F233 HydrophobicContact CE1-CD1 4.18Å; F222-F233 AromaticContact CE1-CE1 3.91Å; F222-F233 HydrophobicContact CE1-CE1 3.91Å; F222-F233 AromaticContact CE2-CE1 3.92Å; F222-F233 HydrophobicContact CE2-CE1 3.92Å; F222-F233 AromaticContact CG-CD1 3.4Å; F222-F233 HydrophobicContact CG-CD1 3.4Å; F222-F233 AromaticContact CG-CE1 3.13Å; F222-F233 HydrophobicContact CG-CE1 3.13Å; F222-F233 HydrophobicContact CG-CG 4.42Å; F222-F233 AromaticContact CG-CZ 3.99Å; F222-F233 HydrophobicContact CG-CZ 3.99Å; F222-F233 HydrophobicContact CZ-CE1 4.15Å; F222-Y277 HydrophobicContact CD2-CD2 4.29Å; F222-Y277 AromaticContact CE2-CD2 3.68Å; F222-Y277 HydrophobicContact CE2-CD2 3.68Å; F222-Y277 HydrophobicContact CE2-CE2 4.4Å; F222-Y277 HydrophobicContact CE2-CG 4.36Å; F222-Y277 HydrophobicContact CZ-CD2 4.33Å; F222-F279 HydrophobicContact CD1-CZ 4.48Å; F222-F279 AromaticContact CE1-CE2 3.95Å; F222-F279 HydrophobicContact CE1-CE2 3.95Å; F222-F279 HydrophobicContact CE1-CZ 4.07Å
223N94.4Very high93.2Very high65 Ų6572.3 Ų72.335%0.34836%0.356SS..BIsolated β-bridgetrans-148.1130.7170.9-178.4-58000109.2E221 K225 T226 D227 P228E221-N223 PolarHBondContact O-N 2.8Å; N223-K225 PolarHBondContact O-N 2.74Å; N223-K225 VanDerWaalsContact O-N 3.11Å; N223-K225 PolarHBondContact OD1-N 2.83Å; N223-T226 WeakPolarHBondContact CB-OG1 3.4Å; N223-T226 PolarHBondContact OD1-N 2.85Å; N223-T226 PolarHBondContact OD1-OG1 3.06Å; N223-D227 PolarHBondContact N-O 3.46Å; N223-D227 VanDerWaalsContact N-O 3.12Å; N223-D227 CarbonylContact O-C 3.51Å; N223-D227 PolarHBondContact O-N 2.88Å; N223-D227 VanDerWaalsContact O-O 3.09Å; N223-P228 WeakPolarHBondContact O-CA 3.33Å; N223-P228 VanDerWaalsContact O-N 3.13Å
224R92.1Very high93.5Very high98 Ų9870.6 Ų70.637%0.3734%0.341SS..THydrogen-bonded Turntrans-50.9-39.1-178.1-169.195.8-59.2-171.26.2114.7Y277R224-Y277 PolarHBondContact NH1-O 2.94Å; R224-Y277 PolarHBondContact NH2-O 3.41Å
225K92.4Very high93.9Very high193 Ų19366.6 Ų66.684%0.83931%0.313SS*.THydrogen-bonded Turntrans-96.6-44.8-172.7-63.5-177.3-177.8177.70112N223N223-K225 PolarHBondContact O-N 2.74Å; N223-K225 VanDerWaalsContact O-N 3.11Å; N223-K225 PolarHBondContact OD1-N 2.83Å
226T93.7Very high94.1Very high115 Ų11566.5 Ų66.571%0.70631%0.305SS*.THydrogen-bonded Turntrans-90.2-38.6-171.659.40000113N223N223-T226 WeakPolarHBondContact CB-OG1 3.4Å; N223-T226 PolarHBondContact OD1-N 2.85Å; N223-T226 PolarHBondContact OD1-OG1 3.06Å
227D92.9Very high94.3Very high33 Ų3366.4 Ų66.418%0.17631%0.307CS..BIsolated β-bridgetrans-149.278.1-178.5-166.7-3.1000112.2Y216 N223 N229 C230Y216-D227 VanDerWaalsContact CE2-OD2 3.27Å; Y216-D227 WeakPolarHBondContact CE2-OD2 3.36Å; Y216-D227 VanDerWaalsContact CZ-OD2 3.29Å; Y216-D227 PolarHBondContact OH-OD1 3.21Å; Y216-D227 PolarHBondContact OH-OD2 2.94Å; N223-D227 PolarHBondContact N-O 3.46Å; N223-D227 VanDerWaalsContact N-O 3.12Å; N223-D227 CarbonylContact O-C 3.51Å; N223-D227 PolarHBondContact O-N 2.88Å; N223-D227 VanDerWaalsContact O-O 3.09Å; D227-N229 PolarHBondContact O-N 3.24Å; D227-C230 PolarHBondContact OD1-N 2.89Å
228P92.6Very high94.5Very high52 Ų5264.1 Ų64.134%0.33830%0.295SS..THydrogen-bonded Turntrans-75.1-11.1-17629.6-35.7000113.7F222 N223F222-P228 WeakPolarHBondContact CE2-O 3.38Å; N223-P228 WeakPolarHBondContact O-CA 3.33Å; N223-P228 VanDerWaalsContact O-N 3.13Å
229N90.8Very high94.8Very high51 Ų5155.5 Ų55.527%0.27326%0.258SS..THydrogen-bonded Turntrans-97.9-8.4-175.5-64.1-44.2000113L209 D227L209-N229 HydrophobicContact CD1-CB 4.47Å; D227-N229 PolarHBondContact O-N 3.24Å
230C95.1Very high95Very high0 Ų048.4 Ų48.40%024%0.241CC..  trans-66.9129.1178178.70000110.5Y216 C220 E221 F222 D227 I232Y216-C230 VanDerWaalsContact OH-CA 3.32Å; Y216-C230 WeakPolarHBondContact OH-CA 3.38Å; Y216-C230 WeakPolarHBondContact OH-CB 3.47Å; Y216-C230 PolarHBondContact OH-N 3.1Å; C220-C230 HydrophobicContact CB-CB 3.7Å; C220-C230 WeakPolarHBondContact CB-SG 3.46Å; C220-C230 PolarHBondContact O-SG 2.82Å; C220-C230 VanDerWaalsContact O-SG 3.35Å; C220-C230 WeakPolarHBondContact SG-CB 3.48Å; C220-C230 CovalentContact SG-SG 2.06Å; C220-C230 PolarHBondContact SG-SG 3.1Å; E221-C230 PolarHBondContact N-SG 3.39Å; E221-C230 VanDerWaalsContact N-SG 3.43Å; F222-C230 HydrophobicContact CB-CB 4.43Å; D227-C230 PolarHBondContact OD1-N 2.89Å; C230-I232 VanDerWaalsContact C-N 3.28Å; C230-I232 PolarHBondContact O-N 3.04Å; C230-I232 PolarHBondContact SG-N 2.92Å
231P95.6Very high95Very high0 Ų051.8 Ų51.80%026%0.255CS..  trans-86.26.2-179.437.1-39.9000113.7L191 I192 I208 L217 F233L191-P231 HydrophobicContact CD1-CB 3.89Å; L191-P231 HydrophobicContact CD1-CG 3.67Å; I192-P231 PolarHBondContact N-O 3.27Å; I192-P231 WeakPolarHBondContact O-CB 3.21Å; I208-P231 HydrophobicContact CD1-CB 4.43Å; I208-P231 HydrophobicContact CD1-CG 4.12Å; I208-P231 HydrophobicContact CG1-CB 4.06Å; I208-P231 HydrophobicContact CG1-CG 3.96Å; L217-P231 HydrophobicContact CD2-CG 3.62Å; P231-F233 VanDerWaalsContact C-CE2 3.49Å; P231-F233 WeakPolarHBondContact O-CD2 3.14Å; P231-F233 WeakPolarHBondContact O-CE2 3.37Å
232I96.8Very high95Very high25 Ų2549 Ų4913%0.12825%0.245CC..EExtended strand (participates in β ladder)trans-108.5120.9-176.3-60.9174.1000108.8T189 V190 L191 L217 F222 C230T189-I232 HydrophobicContact CG2-CG2 4.3Å; V190-I232 WeakPolarHBondContact O-CA 3.37Å; L191-I232 HydrophobicContact CB-CG1 4.33Å; L191-I232 HydrophobicContact CD1-CD1 4.48Å; L191-I232 HydrophobicContact CD1-CG1 3.72Å; L217-I232 WeakPolarHBondContact O-CD1 3.29Å; F222-I232 WeakPolarHBondContact CB-O 3.25Å; F222-I232 PolarHBondContact N-O 2.83Å; C230-I232 VanDerWaalsContact C-N 3.28Å; C230-I232 PolarHBondContact O-N 3.04Å; C230-I232 PolarHBondContact SG-N 2.92Å
233F97.3Very high94.9Very high2 Ų251.7 Ų51.71%0.00927%0.274CS..EExtended strand (participates in β ladder)trans-117.5138.1-175.6-55.9-98.1000109.5T189 V190 I192 F222 P231 I238 Y277 F279T189-F233 CarbonylContact C-O 3.57Å; T189-F233 WeakPolarHBondContact CA-O 3.41Å; V190-F233 HydrophobicContact CG1-CB 3.9Å; V190-F233 PolarHBondContact N-O 3.14Å; V190-F233 PolarHBondContact O-N 3.12Å; I192-F233 HydrophobicContact CB-CE2 4.22Å; I192-F233 HydrophobicContact CD1-CD2 3.85Å; I192-F233 HydrophobicContact CD1-CE2 3.88Å; I192-F233 HydrophobicContact CG1-CD2 4.07Å; I192-F233 HydrophobicContact CG1-CE2 4.15Å; F222-F233 HydrophobicContact CB-CD1 3.51Å; F222-F233 HydrophobicContact CB-CE1 3.61Å; F222-F233 HydrophobicContact CB-CG 4.1Å; F222-F233 HydrophobicContact CB-CZ 4.25Å; F222-F233 AromaticContact CD1-CD1 3.4Å; F222-F233 HydrophobicContact CD1-CD1 3.4Å; F222-F233 VanDerWaalsContact CD1-CD1 3.4Å; F222-F233 AromaticContact CD1-CE1 3.4Å; F222-F233 HydrophobicContact CD1-CE1 3.4Å; F222-F233 VanDerWaalsContact CD1-CE1 3.4Å; F222-F233 HydrophobicContact CD2-CD1 4.16Å; F222-F233 AromaticContact CD2-CE1 3.42Å; F222-F233 HydrophobicContact CD2-CE1 3.42Å; F222-F233 VanDerWaalsContact CD2-CE1 3.42Å; F222-F233 AromaticContact CD2-CZ 3.95Å; F222-F233 HydrophobicContact CD2-CZ 3.95Å; F222-F233 HydrophobicContact CE1-CD1 4.18Å; F222-F233 AromaticContact CE1-CE1 3.91Å; F222-F233 HydrophobicContact CE1-CE1 3.91Å; F222-F233 AromaticContact CE2-CE1 3.92Å; F222-F233 HydrophobicContact CE2-CE1 3.92Å; F222-F233 AromaticContact CG-CD1 3.4Å; F222-F233 HydrophobicContact CG-CD1 3.4Å; F222-F233 AromaticContact CG-CE1 3.13Å; F222-F233 HydrophobicContact CG-CE1 3.13Å; F222-F233 HydrophobicContact CG-CG 4.42Å; F222-F233 AromaticContact CG-CZ 3.99Å; F222-F233 HydrophobicContact CG-CZ 3.99Å; F222-F233 HydrophobicContact CZ-CE1 4.15Å; P231-F233 VanDerWaalsContact C-CE2 3.49Å; P231-F233 WeakPolarHBondContact O-CD2 3.14Å; P231-F233 WeakPolarHBondContact O-CE2 3.37Å; F233-I238 HydrophobicContact CB-CD1 3.53Å; F233-I238 HydrophobicContact CB-CG1 3.91Å; F233-I238 HydrophobicContact CG-CD1 4.34Å; F233-Y277 HydrophobicContact CE1-CD1 4.2Å; F233-Y277 HydrophobicContact CE1-CD2 4.31Å; F233-Y277 HydrophobicContact CE1-CG 4.05Å; F233-Y277 HydrophobicContact CE2-CE1 4.37Å; F233-Y277 AromaticContact CZ-CD1 3.72Å; F233-Y277 HydrophobicContact CZ-CD1 3.72Å; F233-Y277 HydrophobicContact CZ-CD2 4.05Å; F233-Y277 AromaticContact CZ-CE1 3.71Å; F233-Y277 HydrophobicContact CZ-CE1 3.71Å; F233-Y277 HydrophobicContact CZ-CE2 4.03Å; F233-Y277 AromaticContact CZ-CG 3.9Å; F233-Y277 HydrophobicContact CZ-CG 3.9Å; F233-Y277 AromaticContact CZ-CZ 3.87Å; F233-F279 HydrophobicContact CD1-CE1 4.29Å; F233-F279 AromaticContact CD1-CZ 3.77Å; F233-F279 HydrophobicContact CD1-CZ 3.77Å; F233-F279 HydrophobicContact CE1-CE1 4.43Å; F233-F279 AromaticContact CE1-CZ 3.83Å; F233-F279 HydrophobicContact CE1-CZ 3.83Å
234R97.3Very high94.8Very high74 Ų7450.2 Ų50.228%0.27927%0.265SS..EExtended strand (participates in β ladder)trans-85.3135.7168.6-172.4174.3-177.9168.5-1109.5N187 F188 E221 K236 H237 I238N187-R234 PolarHBondContact OD1-NE 3.09Å; N187-R234 PolarHBondContact OD1-NH2 3.2Å; F188-R234 WeakPolarHBondContact O-CA 3.27Å; E221-R234 VanDerWaalsContact OE1-CB 3.25Å; E221-R234 WeakPolarHBondContact OE1-CB 3.32Å; E221-R234 WeakPolarHBondContact OE1-CD 3.13Å; R234-K236 VanDerWaalsContact C-N 3.32Å; R234-K236 HydrophobicContact CG-CB 4.41Å; R234-K236 PolarHBondContact O-N 2.77Å; R234-H237 HydrophobicContact CB-CB 4.5Å; R234-H237 PolarHBondContact O-N 3.24Å; R234-H237 VanDerWaalsContact O-N 3.08Å; R234-I238 PolarHBondContact O-N 3.08Å
235L97Very high94.9Very high0 Ų049.4 Ų49.40%027%0.268CS..Hα-helixtrans-60.9-42.2-174.4-61.2-171000111.6F102 V104 F188 V190 H237 I238 V239 F246 F322F102-L235 HydrophobicContact CE2-CD2 4.34Å; V104-L235 HydrophobicContact CB-CD1 4.26Å; V104-L235 HydrophobicContact CG1-CD1 4Å; V104-L235 HydrophobicContact CG2-CD1 3.85Å; F188-L235 HydrophobicContact CB-CD1 3.8Å; F188-L235 HydrophobicContact CB-CG 4.11Å; F188-L235 PolarHBondContact O-N 2.79Å; V190-L235 HydrophobicContact CB-CD2 4.39Å; V190-L235 HydrophobicContact CG1-CD2 4.05Å; L235-H237 VanDerWaalsContact C-N 3.26Å; L235-H237 PolarHBondContact O-N 3Å; L235-I238 HydrophobicContact CD2-CD1 4.14Å; L235-I238 WeakPolarHBondContact O-CB 3.42Å; L235-I238 PolarHBondContact O-N 3.23Å; L235-I238 VanDerWaalsContact O-N 3.11Å; L235-V239 WeakPolarHBondContact O-CG2 3.22Å; L235-V239 PolarHBondContact O-N 3.12Å; L235-F246 HydrophobicContact CB-CE2 3.89Å; L235-F322 HydrophobicContact CD1-CE2 4.42Å; L235-F322 HydrophobicContact CD2-CE1 4.45Å; L235-F322 HydrophobicContact CD2-CE2 4.18Å; L235-F322 HydrophobicContact CD2-CZ 3.96Å
236K96.2Very high94.9Very high82 Ų8240.5 Ų40.536%0.35723%0.229SC..Hα-helixtrans-50.8-44.1173.7-173.4171.9-167.9156.30113.4E186 R234 V239 S240E186-K236 HydrophobicContact CB-CB 4.09Å; E186-K236 HydrophobicContact CB-CD 4.46Å; E186-K236 HydrophobicContact CG-CD 4.4Å; E186-K236 WeakPolarHBondContact O-CB 3.39Å; E186-K236 PolarHBondContact O-N 2.91Å; E186-K236 IonicContact OE1-NZ 3.48Å; E186-K236 PolarHBondContact OE1-NZ 2.86Å; E186-K236 IonicContact OE2-NZ 3.74Å; R234-K236 VanDerWaalsContact C-N 3.32Å; R234-K236 HydrophobicContact CG-CB 4.41Å; R234-K236 PolarHBondContact O-N 2.77Å; K236-V239 PolarHBondContact O-N 2.93Å; K236-S240 WeakPolarHBondContact O-CB 3.39Å; K236-S240 PolarHBondContact O-N 3.17Å; K236-S240 PolarHBondContact O-OG 3.33Å; K236-S240 VanDerWaalsContact O-OG 3.13Å
237H96.1Very high94.9Very high67 Ų6737.6 Ų37.631%0.3121%0.207SC..Hα-helixtrans-70.5-36.3-178.8-66.7165.2000112.3E221 R234 L235 S240 E241E221-H237 IonicContact OE1-CE1 3.31Å; E221-H237 PolarHBondContact OE1-CE1 2.92Å; E221-H237 IonicContact OE1-ND1 2.88Å; E221-H237 PolarHBondContact OE1-ND1 3.35Å; R234-H237 HydrophobicContact CB-CB 4.5Å; R234-H237 PolarHBondContact O-N 3.24Å; R234-H237 VanDerWaalsContact O-N 3.08Å; L235-H237 VanDerWaalsContact C-N 3.26Å; L235-H237 PolarHBondContact O-N 3Å; H237-S240 WeakPolarHBondContact CA-OG 2.98Å; H237-S240 PolarHBondContact O-OG 2.83Å; H237-E241 WeakPolarHBondContact O-CB 3.33Å; H237-E241 WeakPolarHBondContact O-CG 3.38Å; H237-E241 PolarHBondContact O-N 3.43Å
238I96.8Very high94.7Very high1 Ų142.1 Ų42.11%0.00523%0.232CC..Hα-helixtrans-61.4-48.3174.4-65.5166000110.2V190 F233 R234 L235 A242 I258 F279 F322V190-I238 HydrophobicContact CG1-CD1 3.85Å; F233-I238 HydrophobicContact CB-CD1 3.53Å; F233-I238 HydrophobicContact CB-CG1 3.91Å; F233-I238 HydrophobicContact CG-CD1 4.34Å; R234-I238 PolarHBondContact O-N 3.08Å; L235-I238 HydrophobicContact CD2-CD1 4.14Å; L235-I238 WeakPolarHBondContact O-CB 3.42Å; L235-I238 PolarHBondContact O-N 3.23Å; L235-I238 VanDerWaalsContact O-N 3.11Å; I238-A242 PolarHBondContact O-N 3.32Å; I238-I258 HydrophobicContact CD1-CD1 4.05Å; I238-I258 HydrophobicContact CG2-CD1 4.49Å; I238-I258 HydrophobicContact CG2-CG1 4.3Å; I238-F279 HydrophobicContact CB-CD1 4.31Å; I238-F279 HydrophobicContact CB-CE1 4.42Å; I238-F279 HydrophobicContact CG1-CD1 4.26Å; I238-F279 HydrophobicContact CG1-CE1 3.87Å; I238-F279 HydrophobicContact CG1-CZ 4.27Å; I238-F279 HydrophobicContact CG2-CB 4.44Å; I238-F279 HydrophobicContact CG2-CD1 3.64Å; I238-F279 HydrophobicContact CG2-CE1 4.11Å; I238-F279 HydrophobicContact CG2-CG 4.16Å; I238-F322 HydrophobicContact CB-CE1 4.39Å; I238-F322 HydrophobicContact CG2-CD1 4.09Å; I238-F322 HydrophobicContact CG2-CE1 3.78Å
239V96Very high94.7Very high0 Ų039.9 Ų39.90%022%0.217CC..Hα-helixtrans-67.3-42.5-178.5-1740000111.3L235 K236 A242 G243 E244 F246 M249 L256 I320L235-V239 WeakPolarHBondContact O-CG2 3.22Å; L235-V239 PolarHBondContact O-N 3.12Å; K236-V239 PolarHBondContact O-N 2.93Å; V239-A242 WeakPolarHBondContact O-CB 3.4Å; V239-A242 PolarHBondContact O-N 3.34Å; V239-G243 PolarHBondContact O-N 3.27Å; V239-E244 CarbonylContact C-O 3.52Å; V239-E244 HydrophobicContact CG1-CB 3.65Å; V239-E244 PolarHBondContact O-N 2.84Å; V239-E244 VanDerWaalsContact O-N 3.12Å; V239-F246 HydrophobicContact CB-CB 4.46Å; V239-F246 HydrophobicContact CB-CD2 4.14Å; V239-F246 HydrophobicContact CG1-CB 4.41Å; V239-F246 HydrophobicContact CG2-CD2 3.52Å; V239-F246 HydrophobicContact CG2-CE2 4.11Å; V239-M249 HydrophobicContact CG1-CE 4.28Å; V239-M249 HydrophobicContact CG1-SD 4.38Å; V239-L256 HydrophobicContact CB-CD1 4.22Å; V239-L256 HydrophobicContact CG1-CD1 4.33Å; V239-L256 HydrophobicContact CG2-CD1 3.54Å; V239-I320 HydrophobicContact CG2-CD1 4.32Å
240S95.9Very high94.8Very high65 Ų6537.4 Ų37.446%0.45520%0.204SC..Hα-helixtrans-69.5-38.5-179.9680000113.2K236 H237 A242 G243K236-S240 WeakPolarHBondContact O-CB 3.39Å; K236-S240 PolarHBondContact O-N 3.17Å; K236-S240 PolarHBondContact O-OG 3.33Å; K236-S240 VanDerWaalsContact O-OG 3.13Å; H237-S240 WeakPolarHBondContact CA-OG 2.98Å; H237-S240 PolarHBondContact O-OG 2.83Å; S240-A242 PolarHBondContact O-N 2.81Å; S240-G243 PolarHBondContact O-N 2.69Å
241E95.1Very high94.6Very high86 Ų8638.5 Ų38.540%0.40221%0.21SC..Hα-helixtrans-66.8-25.3173.7-76.4-166-146.500112.4H237 G243 F279H237-E241 WeakPolarHBondContact O-CB 3.33Å; H237-E241 WeakPolarHBondContact O-CG 3.38Å; H237-E241 PolarHBondContact O-N 3.43Å; E241-G243 PolarHBondContact O-N 3.34Å; E241-F279 HydrophobicContact CB-CD2 3.63Å; E241-F279 HydrophobicContact CB-CE2 4.32Å; E241-F279 HydrophobicContact CB-CG 4.45Å; E241-F279 HydrophobicContact CG-CD2 4.36Å; E241-F279 WeakPolarHBondContact OE2-CD2 3.45Å; E241-F279 WeakPolarHBondContact OE2-CE2 3.37Å
242A94.4Very high94.3Very high15 Ų1543.2 Ų43.212%0.12423%0.231CC..THydrogen-bonded Turntrans-75.7-3.1170.400000113.7I238 V239 S240 L256 F279I238-A242 PolarHBondContact O-N 3.32Å; V239-A242 WeakPolarHBondContact O-CB 3.4Å; V239-A242 PolarHBondContact O-N 3.34Å; S240-A242 PolarHBondContact O-N 2.81Å; A242-L256 HydrophobicContact CB-CD2 3.64Å; A242-F279 HydrophobicContact CB-CB 4.06Å
243G93.8Very high94Very high61 Ų6142.1 Ų42.163%0.62923%0.226SC*.THydrogen-bonded Turntrans83.420.218000000114.4V239 S240 E241V239-G243 PolarHBondContact O-N 3.27Å; S240-G243 PolarHBondContact O-N 2.69Å; E241-G243 PolarHBondContact O-N 3.34Å
244E92.8Very high93.8Very high34 Ų3442 Ų4216%0.15923%0.225CC..  trans-118.4156.3-174.9-62.8-68.4146.700111.7V239 M249 R281 K285V239-E244 CarbonylContact C-O 3.52Å; V239-E244 HydrophobicContact CG1-CB 3.65Å; V239-E244 PolarHBondContact O-N 2.84Å; V239-E244 VanDerWaalsContact O-N 3.12Å; E244-M249 HydrophobicContact CB-CE 3.7Å; E244-M249 HydrophobicContact CG-CE 3.7Å; E244-R281 HydrophobicContact CG-CB 4.35Å; E244-R281 IonicContact OE1-NH1 3.8Å; E244-R281 IonicContact OE2-CZ 2.59Å; E244-R281 IonicContact OE2-NH1 3.77Å; E244-R281 PolarHBondContact OE2-NH1 2.94Å; E244-K285 WeakPolarHBondContact OE1-CD 3.21Å; E244-K285 IonicContact OE1-NZ 2.76Å; E244-K285 PolarHBondContact OE1-NZ 3.3Å; E244-K285 WeakPolarHBondContact OE2-CE 3.49Å; E244-K285 IonicContact OE2-NZ 3.79Å; E244-K285 PolarHBondContact OE2-NZ 3.05Å
245D93.5Very high93.7Very high81 Ų8139.6 Ų39.643%0.43322%0.218SC..  trans-92.6131.9170.9-176.2-88.9000110.4Q247 D248 M249D245-Q247 WeakPolarHBondContact OD1-CA 3.41Å; D245-Q247 WeakPolarHBondContact OD1-CB 3.03Å; D245-Q247 PolarHBondContact OD1-N 3.43Å; D245-D248 HydrophobicContact CB-CB 4.17Å; D245-D248 PolarHBondContact OD1-N 3.33Å; D245-M249 WeakPolarHBondContact O-CB 3.26Å; D245-M249 PolarHBondContact O-N 3Å
246F94.3Very high93.6Very high6 Ų639.6 Ų39.63%0.02622%0.218CC..Hα-helixtrans-66.2-42.9-177.1-172.2-81.1000112T106 A185 E186 L235 V239 M249 A250 I320T106-F246 HydrophobicContact CG2-CE1 4.46Å; T106-F246 HydrophobicContact CG2-CZ 4.22Å; A185-F246 VanDerWaalsContact C-CZ 3.5Å; A185-F246 HydrophobicContact CB-CE1 4.16Å; A185-F246 HydrophobicContact CB-CZ 3.87Å; E186-F246 HydrophobicContact CB-CB 4.43Å; E186-F246 HydrophobicContact CB-CD1 3.51Å; E186-F246 HydrophobicContact CB-CD2 4.19Å; E186-F246 HydrophobicContact CB-CE1 3.74Å; E186-F246 HydrophobicContact CB-CE2 4.41Å; E186-F246 HydrophobicContact CB-CG 3.77Å; E186-F246 HydrophobicContact CB-CZ 4.2Å; E186-F246 VanDerWaalsContact N-CE1 3.33Å; L235-F246 HydrophobicContact CB-CE2 3.89Å; V239-F246 HydrophobicContact CB-CB 4.46Å; V239-F246 HydrophobicContact CB-CD2 4.14Å; V239-F246 HydrophobicContact CG1-CB 4.41Å; V239-F246 HydrophobicContact CG2-CD2 3.52Å; V239-F246 HydrophobicContact CG2-CE2 4.11Å; F246-M249 PolarHBondContact O-N 3.23Å; F246-A250 HydrophobicContact CD1-CB 4.2Å; F246-A250 HydrophobicContact CE1-CB 4.05Å; F246-A250 WeakPolarHBondContact O-CB 3.19Å; F246-A250 PolarHBondContact O-N 3.14Å; F246-I320 HydrophobicContact CD2-CD1 4.16Å; F246-I320 HydrophobicContact CE2-CD1 3.78Å; F246-I320 HydrophobicContact CZ-CD1 4.12Å
247Q92.3Very high93.7Very high54 Ų5435.7 Ų35.725%0.25220%0.201SC..Hα-helixtrans-70.6-38.9-173.9-61.9-61.3-35.800110.9A183 E186 D245 A250A183-Q247 PolarHBondContact O-NE2 3.13Å; E186-Q247 PolarHBondContact OE2-NE2 2.65Å; D245-Q247 WeakPolarHBondContact OD1-CA 3.41Å; D245-Q247 WeakPolarHBondContact OD1-CB 3.03Å; D245-Q247 PolarHBondContact OD1-N 3.43Å; Q247-A250 PolarHBondContact O-N 2.8Å
248D90.1Very high93.7Very high128 Ų12832.5 Ų32.568%0.68419%0.187SC*.Hα-helixtrans-62.8-44.9173.9-71.9-19.6000111.7D245 A250D245-D248 HydrophobicContact CB-CB 4.17Å; D245-D248 PolarHBondContact OD1-N 3.33Å; D248-A250 VanDerWaalsContact C-N 3.32Å; D248-A250 PolarHBondContact O-N 3.36Å
249M91.2Very high93.7Very high5 Ų534.3 Ų34.33%0.02520%0.196CC..Hα-helixtrans-68.3-33.4178.1-166.4177.6-71.500111.9V239 E244 D245 F246 V251 G253 L256 R281 I320V239-M249 HydrophobicContact CG1-CE 4.28Å; V239-M249 HydrophobicContact CG1-SD 4.38Å; E244-M249 HydrophobicContact CB-CE 3.7Å; E244-M249 HydrophobicContact CG-CE 3.7Å; D245-M249 WeakPolarHBondContact O-CB 3.26Å; D245-M249 PolarHBondContact O-N 3Å; F246-M249 PolarHBondContact O-N 3.23Å; M249-V251 VanDerWaalsContact C-N 3.25Å; M249-V251 PolarHBondContact O-N 2.99Å; M249-G253 CarbonylContact O-C 3.59Å; M249-G253 WeakPolarHBondContact O-CA 3.13Å; M249-G253 PolarHBondContact O-N 2.9Å; M249-L256 HydrophobicContact CE-CD1 4.41Å; M249-L256 HydrophobicContact CE-CD2 4.41Å; M249-L256 HydrophobicContact CE-CG 4.39Å; M249-L256 HydrophobicContact SD-CD1 3.92Å; M249-L256 HydrophobicContact SD-CG 4.18Å; M249-R281 HydrophobicContact CE-CG 4.46Å; M249-I320 HydrophobicContact CB-CD1 4.23Å; M249-I320 HydrophobicContact CG-CD1 3.97Å; M249-I320 HydrophobicContact CG-CG1 3.97Å; M249-I320 HydrophobicContact SD-CD1 3.86Å; M249-I320 HydrophobicContact SD-CG1 4.01Å; M249-I320 HydrophobicContact SD-CG2 3.98Å
250A92.8Very high93.8Very high0 Ų034.3 Ų34.30%020%0.196CC..Hα-helixtrans-66.3-22.2-177.500000113.9T106 N107 A180 F246 Q247 D248T106-A250 WeakPolarHBondContact CB-O 3.44Å; T106-A250 HydrophobicContact CG2-CB 4Å; T106-A250 WeakPolarHBondContact OG1-CA 3.5Å; T106-A250 PolarHBondContact OG1-O 3.22Å; N107-A250 WeakPolarHBondContact CB-O 3.41Å; A180-A250 HydrophobicContact CB-CB 3.4Å; F246-A250 HydrophobicContact CD1-CB 4.2Å; F246-A250 HydrophobicContact CE1-CB 4.05Å; F246-A250 WeakPolarHBondContact O-CB 3.19Å; F246-A250 PolarHBondContact O-N 3.14Å; Q247-A250 PolarHBondContact O-N 2.8Å; D248-A250 VanDerWaalsContact C-N 3.32Å; D248-A250 PolarHBondContact O-N 3.36Å
251V91Very high93.8Very high23 Ų2332.6 Ų32.614%0.13918%0.182CC..Hα-helixtrans-71.7-48.4179.9176.20000111.8N107 A180 M249N107-V251 PolarHBondContact ND2-O 2.59Å; N107-V251 VanDerWaalsContact ND2-O 3.13Å; A180-V251 HydrophobicContact CB-CG2 4.46Å; M249-V251 VanDerWaalsContact C-N 3.25Å; M249-V251 PolarHBondContact O-N 2.99Å
252K88.9Confident93.8Very high99 Ų9928.5 Ų28.543%0.4316%0.163SC..Hα-helixtrans-107.5-8.3-174.8-62.8-173.5179.8-179.40113.7P293 G294 Y295K252-P293 HydrophobicContact CD-CB 4.1Å; K252-P293 HydrophobicContact CD-CG 4.38Å; K252-G294 WeakPolarHBondContact O-CA 3.16Å; K252-Y295 PolarHBondContact O-N 3.47Å
253G92Very high93.8Very high2 Ų230.6 Ų30.62%0.02118%0.176CC..  trans77.7179-170.900000113.2M249 G294 G319M249-G253 CarbonylContact O-C 3.59Å; M249-G253 WeakPolarHBondContact O-CA 3.13Å; M249-G253 PolarHBondContact O-N 2.9Å; G253-G294 WeakPolarHBondContact O-CA 3.46Å; G253-G319 CarbonylContact C-O 3.58Å; G253-G319 WeakPolarHBondContact CA-O 3.33Å
254G93.2Very high93.7Very high0 Ų028.3 Ų28.30%015%0.151CC..EExtended strand (participates in β ladder)trans-177177.3179.200000111.7G319 I320 R321G254-G319 PolarHBondContact N-O 3.25Å; G254-G319 VanDerWaalsContact N-O 3.1Å; G254-I320 WeakPolarHBondContact O-CA 3.48Å; G254-R321 PolarHBondContact O-N 2.98Å
255V94.6Very high93.7Very high22 Ų2229.4 Ų29.413%0.13316%0.158CC..EExtended strand (participates in β ladder)trans-124.8121.4178.7-170.40000109.5L282 D283 Y295 R321V255-L282 HydrophobicContact CB-CB 4.37Å; V255-L282 HydrophobicContact CG1-CB 4.09Å; V255-L282 HydrophobicContact CG1-CD1 4.21Å; V255-L282 PolarHBondContact O-N 3.04Å; V255-D283 HydrophobicContact CB-CB 4.1Å; V255-D283 HydrophobicContact CG2-CB 4.2Å; V255-D283 PolarHBondContact N-OD1 3.27Å; V255-D283 VanDerWaalsContact O-OD1 3.08Å; V255-Y295 HydrophobicContact CG2-CD2 4.19Å; V255-Y295 HydrophobicContact CG2-CG 4.23Å; V255-R321 CarbonylContact C-O 3.43Å; V255-R321 WeakPolarHBondContact CA-O 3.35Å; V255-R321 HydrophobicContact CG1-CB 4.41Å; V255-R321 HydrophobicContact CG2-CB 4.41Å
256L95.6Very high93.6Very high0 Ų026.2 Ų26.20%014%0.14CC..EExtended strand (participates in β ladder)trans-115.3138.2178.2-76.9167.8000110.9V239 A242 M249 H280 R281 I320 R321 F322 D323V239-L256 HydrophobicContact CB-CD1 4.22Å; V239-L256 HydrophobicContact CG1-CD1 4.33Å; V239-L256 HydrophobicContact CG2-CD1 3.54Å; A242-L256 HydrophobicContact CB-CD2 3.64Å; M249-L256 HydrophobicContact CE-CD1 4.41Å; M249-L256 HydrophobicContact CE-CD2 4.41Å; M249-L256 HydrophobicContact CE-CG 4.39Å; M249-L256 HydrophobicContact SD-CD1 3.92Å; M249-L256 HydrophobicContact SD-CG 4.18Å; L256-H280 CarbonylContact C-O 3.54Å; L256-H280 WeakPolarHBondContact CA-O 3.33Å; L256-R281 HydrophobicContact CD2-CB 4.1Å; L256-I320 HydrophobicContact CD1-CG2 3.86Å; L256-I320 HydrophobicContact CG-CG2 4.33Å; L256-R321 PolarHBondContact N-O 3.03Å; L256-F322 HydrophobicContact CB-CD1 3.94Å; L256-F322 HydrophobicContact CB-CE1 4.2Å; L256-F322 HydrophobicContact CD1-CD1 4.29Å; L256-F322 HydrophobicContact CD1-CE1 3.69Å; L256-F322 HydrophobicContact CD1-CZ 4.33Å; L256-F322 CarbonylContact O-C 3.59Å; L256-F322 VanDerWaalsContact O-CA 3.29Å; L256-F322 WeakPolarHBondContact O-CA 3.34Å; L256-D323 PolarHBondContact O-N 3.04Å
257G96.4Very high93.2Very high0 Ų027.8 Ų27.80%015%0.149CC..EExtended strand (participates in β ladder)trans-94.8129.1170.600000110.6F279 H280 D323G257-F279 WeakPolarHBondContact O-CA 3.3Å; G257-H280 PolarHBondContact N-O 3.05Å; G257-H280 PolarHBondContact O-N 2.98Å; G257-H280 VanDerWaalsContact O-N 3.08Å; G257-D323 CarbonylContact C-O 3.57Å; G257-D323 WeakPolarHBondContact CA-O 3.49Å
258I97.5Very high92Very high0 Ų035.4 Ų35.40%018%0.176CC..EExtended strand (participates in β ladder)trans-102.798.7165.4-57176.6000106.9F102 I192 I238 I260 F279 F322 D323 V324 I325F102-I258 HydrophobicContact CE1-CD1 4.22Å; F102-I258 HydrophobicContact CZ-CD1 4.3Å; I192-I258 HydrophobicContact CD1-CD1 3.81Å; I192-I258 HydrophobicContact CD1-CG2 3.96Å; I238-I258 HydrophobicContact CD1-CD1 4.05Å; I238-I258 HydrophobicContact CG2-CD1 4.49Å; I238-I258 HydrophobicContact CG2-CG1 4.3Å; I258-I260 HydrophobicContact CG2-CG1 4.44Å; I258-F279 HydrophobicContact CB-CD1 4.41Å; I258-F279 HydrophobicContact CB-CE1 4.49Å; I258-F279 HydrophobicContact CG1-CD1 4.08Å; I258-F279 HydrophobicContact CG1-CE1 4.25Å; I258-F279 HydrophobicContact CG2-CD1 4.19Å; I258-F279 HydrophobicContact CG2-CE1 3.84Å; I258-F322 HydrophobicContact CD1-CB 4.24Å; I258-F322 HydrophobicContact CD1-CD1 4.14Å; I258-F322 HydrophobicContact CG1-CD1 4.45Å; I258-D323 PolarHBondContact N-O 2.88Å; I258-V324 HydrophobicContact CB-CG2 4.37Å; I258-V324 HydrophobicContact CD1-CG2 4.42Å; I258-V324 CarbonylContact O-C 3.59Å; I258-V324 WeakPolarHBondContact O-CA 3.32Å; I258-I325 PolarHBondContact O-N 2.86Å
259L97.1Very high91Very high40 Ų4037.3 Ų37.321%0.20917%0.174CC..EExtended strand (participates in β ladder)trans-88125.8-175.9-74.290.4000109.2Y277 T278 H280 I325 F327L259-Y277 CarbonylContact O-C 3.57Å; L259-Y277 VanDerWaalsContact O-CA 3.25Å; L259-Y277 WeakPolarHBondContact O-CA 3.38Å; L259-T278 WeakPolarHBondContact CB-O 3.09Å; L259-T278 WeakPolarHBondContact CB-OG1 3.41Å; L259-T278 PolarHBondContact N-O 3.47Å; L259-T278 PolarHBondContact O-N 2.04Å; L259-H280 HydrophobicContact CD1-CB 4.1Å; L259-I325 CarbonylContact C-O 3.58Å; L259-I325 WeakPolarHBondContact CA-O 3.06Å; L259-F327 HydrophobicContact CB-CE1 3.85Å; L259-F327 HydrophobicContact CB-CZ 4.47Å; L259-F327 HydrophobicContact CD2-CE1 3.86Å; L259-F327 HydrophobicContact CD2-CZ 4.3Å; L259-F327 HydrophobicContact CG-CE1 4.18Å
260I97.1Very high89.9Confident0 Ų038.7 Ų38.70%019%0.185CC..EExtended strand (participates in β ladder)trans-119.5102.7179.6-48.1-178.1000108.8I192 N194 I258 P275 Y277 V324 I325 V326 F327I192-I260 HydrophobicContact CG2-CD1 4.16Å; N194-I260 HydrophobicContact CB-CD1 4.4Å; I258-I260 HydrophobicContact CG2-CG1 4.44Å; I260-P275 HydrophobicContact CG2-CB 3.58Å; I260-Y277 HydrophobicContact CB-CD1 4.5Å; I260-Y277 HydrophobicContact CB-CE1 4.44Å; I260-Y277 HydrophobicContact CD1-CD1 4.19Å; I260-Y277 HydrophobicContact CD1-CE1 3.71Å; I260-Y277 HydrophobicContact CG1-CD1 3.78Å; I260-Y277 HydrophobicContact CG1-CE1 3.77Å; I260-Y277 HydrophobicContact CG2-CD1 4.31Å; I260-Y277 HydrophobicContact CG2-CE1 3.94Å; I260-V324 HydrophobicContact CD1-CG1 3.54Å; I260-V324 HydrophobicContact CG1-CG1 4.18Å; I260-I325 PolarHBondContact N-O 2.87Å; I260-V326 HydrophobicContact CB-CG1 4.42Å; I260-V326 HydrophobicContact CB-CG2 4.23Å; I260-V326 HydrophobicContact CD1-CG2 4.18Å; I260-V326 HydrophobicContact CG1-CG2 4.46Å; I260-F327 PolarHBondContact O-N 3.37Å; I260-F327 VanDerWaalsContact O-O 3.09Å
261D96.6Very high88.9Confident29 Ų2949.4 Ų49.416%0.15523%0.226CC..EExtended strand (participates in β ladder)trans-87.3121.1177.7172.326.1000111.4S263 P275 K276 F327D261-S263 WeakPolarHBondContact OD1-CB 3.27Å; D261-S263 PolarHBondContact OD1-N 2.92Å; D261-S263 PolarHBondContact OD1-OG 2.81Å; D261-P275 WeakPolarHBondContact O-CA 3.32Å; D261-K276 HydrophobicContact CB-CB 4.21Å; D261-K276 PolarHBondContact N-O 3.49Å; D261-K276 PolarHBondContact O-N 3.44Å; D261-F327 CarbonylContact C-O 3.56Å; D261-F327 WeakPolarHBondContact CA-O 3.22Å; D261-F327 HydrophobicContact CB-CD2 4.44Å; D261-F327 HydrophobicContact CB-CE2 3.76Å; D261-F327 HydrophobicContact CB-CZ 3.9Å
262W95.8Very high88.5Confident0 Ų054.9 Ų54.90%025%0.248CC..  trans-110.828176.6-7999.9000113.7N194 I196 Y198 K205 N207 C264 P275 F327N194-W262 PolarHBondContact OD1-NE1 3.15Å; I196-W262 HydrophobicContact CD1-CB 4.12Å; I196-W262 HydrophobicContact CD1-CD2 3.52Å; I196-W262 HydrophobicContact CD1-CE3 3.41Å; I196-W262 VanDerWaalsContact CD1-CE3 3.41Å; I196-W262 HydrophobicContact CD1-CG 3.88Å; I196-W262 HydrophobicContact CD1-CH2 4.47Å; I196-W262 HydrophobicContact CD1-CZ3 3.93Å; I196-W262 HydrophobicContact CG1-CD2 3.96Å; I196-W262 HydrophobicContact CG1-CE3 4.11Å; I196-W262 HydrophobicContact CG1-CG 4.41Å; I196-W262 HydrophobicContact CG1-CH2 4.37Å; I196-W262 HydrophobicContact CG1-CZ2 4.25Å; I196-W262 HydrophobicContact CG1-CZ3 4.32Å; I196-W262 HydrophobicContact CG2-CD2 4.13Å; I196-W262 HydrophobicContact CG2-CG 3.93Å; Y198-W262 PolarHBondContact OH-O 2.79Å; K205-W262 HydrophobicContact CB-CZ3 4.42Å; K205-W262 HydrophobicContact CD-CZ3 4.1Å; K205-W262 HydrophobicContact CG-CH2 4.19Å; K205-W262 HydrophobicContact CG-CZ3 4.11Å; N207-W262 HydrophobicContact CB-CZ2 4.02Å; W262-C264 PolarHBondContact O-N 2.83Å; W262-C264 VanDerWaalsContact O-N 3.12Å; W262-C264 PolarHBondContact O-SG 2.94Å; W262-P275 HydrophobicContact CD2-CB 4.19Å; W262-P275 HydrophobicContact CH2-CB 4.22Å; W262-P275 HydrophobicContact CH2-CG 4.01Å; W262-P275 HydrophobicContact CZ2-CB 3.71Å; W262-P275 HydrophobicContact CZ2-CG 3.82Å; W262-F327 PolarHBondContact N-O 3.03Å
263S93.8Very high88.5Confident58 Ų5850.3 Ų50.341%0.40623%0.228SC..  trans-65.3112.3177.2-59.90000111.4D261 T329D261-S263 WeakPolarHBondContact OD1-CB 3.27Å; D261-S263 PolarHBondContact OD1-N 2.92Å; D261-S263 PolarHBondContact OD1-OG 2.81Å; S263-T329 CarbonylContact C-O 3.47Å; S263-T329 VanDerWaalsContact CA-O 3.3Å; S263-T329 WeakPolarHBondContact CA-O 3.39Å
264C92.4Very high88.5Confident14 Ų1454.8 Ų54.810%0.09525%0.245CC..EExtended strand (participates in β ladder)trans-134.3142.1-167.8-69.70000113.2W262 L266 C273 T329 A330 G331W262-C264 PolarHBondContact O-N 2.83Å; W262-C264 VanDerWaalsContact O-N 3.12Å; W262-C264 PolarHBondContact O-SG 2.94Å; C264-L266 HydrophobicContact CB-CD2 4.46Å; C264-C273 HydrophobicContact CB-CB 3.67Å; C264-C273 WeakPolarHBondContact CB-SG 3.43Å; C264-C273 WeakPolarHBondContact SG-CA 3.39Å; C264-C273 WeakPolarHBondContact SG-CB 3.03Å; C264-C273 CovalentContact SG-SG 2.02Å; C264-C273 PolarHBondContact SG-SG 3.2Å; C264-T329 PolarHBondContact N-O 2.94Å; C264-A330 CarbonylContact O-C 3.59Å; C264-A330 VanDerWaalsContact O-CA 3.28Å; C264-A330 WeakPolarHBondContact O-CA 3.47Å; C264-G331 PolarHBondContact O-N 2.96Å
265N91.8Very high88.6Confident56 Ų5655.4 Ų55.430%0.29925%0.249SC..EExtended strand (participates in β ladder)trans-99.4118.1167.8-174.5-13.2000109.4Q58 D267Q58-N265 PolarHBondContact NE2-ND2 2.88Å; Q58-N265 PolarHBondContact NE2-OD1 2.7Å; N265-D267 WeakPolarHBondContact OD1-CB 2.99Å; N265-D267 PolarHBondContact OD1-N 2.79Å; N265-D267 PolarHBondContact OD1-OD2 3.3Å
266L91.9Very high88.6Confident14 Ų1460.3 Ų60.37%0.07327%0.269CS..  trans-92-2.5-175.4-59.7-176.1000114.3F201 F203 C264 A270 A330 G331 K332F201-L266 HydrophobicContact CB-CD1 3.92Å; F201-L266 HydrophobicContact CD2-CD1 3.59Å; F201-L266 HydrophobicContact CE2-CD1 4.43Å; F201-L266 HydrophobicContact CG-CD1 3.97Å; F203-L266 HydrophobicContact CB-CD1 4.17Å; F203-L266 HydrophobicContact CD1-CD2 4.31Å; F203-L266 HydrophobicContact CD2-CD2 4.05Å; F203-L266 HydrophobicContact CE1-CD2 4.16Å; F203-L266 HydrophobicContact CE2-CD2 3.94Å; F203-L266 HydrophobicContact CG-CD1 4.23Å; F203-L266 HydrophobicContact CG-CD2 4.2Å; F203-L266 HydrophobicContact CZ-CD2 3.95Å; C264-L266 HydrophobicContact CB-CD2 4.46Å; L266-A270 HydrophobicContact CD2-CB 4.13Å; L266-A330 HydrophobicContact CD1-CB 3.85Å; L266-A330 HydrophobicContact CG-CB 4.13Å; L266-G331 PolarHBondContact N-O 2.82Å; L266-K332 HydrophobicContact CB-CB 4.1Å; L266-K332 HydrophobicContact CB-CD 4.49Å; L266-K332 HydrophobicContact CB-CG 4.19Å
267D85.4Confident88.7Confident39 Ų3960.4 Ų60.421%0.20927%0.269CS..THydrogen-bonded Turntrans-63.7-56-172.9-68.5-13.8000114.4Y57 Q58 N265 K332 F333Y57-D267 WeakPolarHBondContact CE2-OD2 3.5Å; Y57-D267 PolarHBondContact OH-OD2 3.29Å; Q58-D267 PolarHBondContact NE2-OD1 2.97Å; Q58-D267 PolarHBondContact NE2-OD2 3.11Å; N265-D267 WeakPolarHBondContact OD1-CB 2.99Å; N265-D267 PolarHBondContact OD1-N 2.79Å; N265-D267 PolarHBondContact OD1-OD2 3.3Å; D267-K332 WeakPolarHBondContact OD1-CA 3.41Å; D267-F333 PolarHBondContact OD1-N 2.85Å
268W67.5Low88.7Confident214 Ų21463.6 Ų63.681%0.81129%0.289SS*.THydrogen-bonded Turntrans-111.6-34.6-170.4-66.173.9000111.9
269W67.8Low88.7Confident169 Ų16964.6 Ų64.664%0.6429%0.293SS*.THydrogen-bonded Turntrans-135.557.1-172.1-51.4-46.6000112.3R271 K272W269-R271 PolarHBondContact O-N 2.87Å; W269-K272 HydrophobicContact CB-CB 4.02Å; W269-K272 HydrophobicContact CB-CD 4.22Å; W269-K272 HydrophobicContact CB-CG 4.13Å; W269-K272 HydrophobicContact CD2-CD 4.49Å; W269-K272 HydrophobicContact CG-CD 4.36Å; W269-K272 PolarHBondContact O-N 2.81Å
270A69.2Low88.5Confident33 Ų3368.1 Ų68.127%0.27331%0.309SS..G310 helixtrans-50.5-27.8171.100000112.7F203 K205 L266 K272F203-A270 HydrophobicContact CE2-CB 3.9Å; K205-A270 PolarHBondContact NZ-O 3.23Å; L266-A270 HydrophobicContact CD2-CB 4.13Å; A270-K272 PolarHBondContact O-N 2.88Å
271R70.6Confident88.4Confident225 Ų22570 Ų7085%0.84932%0.315SS*.G310 helixtrans-67.5-26.4173.9-67.8-174.4179.4169.50.8114.6K205 W269 C273K205-R271 PolarHBondContact NZ-O 2.93Å; W269-R271 PolarHBondContact O-N 2.87Å; R271-C273 VanDerWaalsContact C-N 3.34Å; R271-C273 PolarHBondContact O-N 2.87Å
272K82.8Confident88.1Confident138 Ų13872.4 Ų72.460%0.633%0.328SS*.G310 helixtrans-90.315.1178.7-70-171.9177.4-179.20114.5W269 A270 Y274W269-K272 HydrophobicContact CB-CB 4.02Å; W269-K272 HydrophobicContact CB-CD 4.22Å; W269-K272 HydrophobicContact CB-CG 4.13Å; W269-K272 HydrophobicContact CD2-CD 4.49Å; W269-K272 HydrophobicContact CG-CD 4.36Å; W269-K272 PolarHBondContact O-N 2.81Å; A270-K272 PolarHBondContact O-N 2.88Å; K272-Y274 HydrophobicContact CB-CE2 4.17Å; K272-Y274 HydrophobicContact CG-CE2 4.41Å; K272-Y274 VanDerWaalsContact O-CD2 3.25Å; K272-Y274 WeakPolarHBondContact O-CD2 3.26Å; K272-Y274 PolarHBondContact O-N 3.28Å
273C90.4Very high87.7Confident3 Ų373.9 Ų73.92%0.0234%0.336CS..  trans-74.8106.2170.2178.20000110.2F203 K205 C264 R271F203-C273 HydrophobicContact CZ-CB 4.23Å; K205-C273 HydrophobicContact CD-CB 4.16Å; K205-C273 WeakPolarHBondContact CD-O 3.47Å; K205-C273 WeakPolarHBondContact CE-O 3.25Å; K205-C273 PolarHBondContact NZ-O 2.02Å; C264-C273 HydrophobicContact CB-CB 3.67Å; C264-C273 WeakPolarHBondContact CB-SG 3.43Å; C264-C273 WeakPolarHBondContact SG-CA 3.39Å; C264-C273 WeakPolarHBondContact SG-CB 3.03Å; C264-C273 CovalentContact SG-SG 2.02Å; C264-C273 PolarHBondContact SG-SG 3.2Å; R271-C273 VanDerWaalsContact C-N 3.34Å; R271-C273 PolarHBondContact O-N 2.87Å
274Y91.8Very high86.9Confident97 Ų9775.1 Ų75.138%0.3834%0.338SS..  trans-124.6147.9-178-64-71.5000110.5L209 K272L209-Y274 HydrophobicContact CD1-CD1 4.43Å; L209-Y274 HydrophobicContact CD1-CE1 3.8Å; L209-Y274 HydrophobicContact CD2-CD1 4.06Å; L209-Y274 HydrophobicContact CD2-CE1 3.73Å; L209-Y274 HydrophobicContact CG-CE1 4.44Å; K272-Y274 HydrophobicContact CB-CE2 4.17Å; K272-Y274 HydrophobicContact CG-CE2 4.41Å; K272-Y274 VanDerWaalsContact O-CD2 3.25Å; K272-Y274 WeakPolarHBondContact O-CD2 3.26Å; K272-Y274 PolarHBondContact O-N 3.28Å
275P95.3Very high85.9Confident13 Ų1379.7 Ų79.78%0.08436%0.356CS..  trans-69.5141.1176.927.7-30000110.5N207 I260 D261 W262 Y277N207-P275 HydrophobicContact CB-CG 4.03Å; I260-P275 HydrophobicContact CG2-CB 3.58Å; D261-P275 WeakPolarHBondContact O-CA 3.32Å; W262-P275 HydrophobicContact CD2-CB 4.19Å; W262-P275 HydrophobicContact CH2-CB 4.22Å; W262-P275 HydrophobicContact CH2-CG 4.01Å; W262-P275 HydrophobicContact CZ2-CB 3.71Å; W262-P275 HydrophobicContact CZ2-CG 3.82Å; P275-Y277 HydrophobicContact CB-CE2 4.08Å; P275-Y277 HydrophobicContact CG-CE2 3.84Å; P275-Y277 WeakPolarHBondContact CG-OH 3.01Å
276K94.7Very high84.7Confident125 Ų12582.9 Ų82.954%0.54337%0.369SS..EExtended strand (participates in β ladder)trans-109.5115.4167-61.6174.5-174167.30109.1D261D261-K276 HydrophobicContact CB-CB 4.21Å; D261-K276 PolarHBondContact N-O 3.49Å; D261-K276 PolarHBondContact O-N 3.44Å
277Y96.7Very high83.3Confident1 Ų188 Ų880%0.00440%0.403CS..EExtended strand (participates in β ladder)trans-83.9132.9178.3-57.2-82.1000111.2N207 F222 R224 F233 L259 I260 P275N207-Y277 WeakPolarHBondContact CB-OH 3.49Å; N207-Y277 PolarHBondContact ND2-OH 3.29Å; F222-Y277 HydrophobicContact CD2-CD2 4.29Å; F222-Y277 AromaticContact CE2-CD2 3.68Å; F222-Y277 HydrophobicContact CE2-CD2 3.68Å; F222-Y277 HydrophobicContact CE2-CE2 4.4Å; F222-Y277 HydrophobicContact CE2-CG 4.36Å; F222-Y277 HydrophobicContact CZ-CD2 4.33Å; R224-Y277 PolarHBondContact NH1-O 2.94Å; R224-Y277 PolarHBondContact NH2-O 3.41Å; F233-Y277 HydrophobicContact CE1-CD1 4.2Å; F233-Y277 HydrophobicContact CE1-CD2 4.31Å; F233-Y277 HydrophobicContact CE1-CG 4.05Å; F233-Y277 HydrophobicContact CE2-CE1 4.37Å; F233-Y277 AromaticContact CZ-CD1 3.72Å; F233-Y277 HydrophobicContact CZ-CD1 3.72Å; F233-Y277 HydrophobicContact CZ-CD2 4.05Å; F233-Y277 AromaticContact CZ-CE1 3.71Å; F233-Y277 HydrophobicContact CZ-CE1 3.71Å; F233-Y277 HydrophobicContact CZ-CE2 4.03Å; F233-Y277 AromaticContact CZ-CG 3.9Å; F233-Y277 HydrophobicContact CZ-CG 3.9Å; F233-Y277 AromaticContact CZ-CZ 3.87Å; L259-Y277 CarbonylContact O-C 3.57Å; L259-Y277 VanDerWaalsContact O-CA 3.25Å; L259-Y277 WeakPolarHBondContact O-CA 3.38Å; I260-Y277 HydrophobicContact CB-CD1 4.5Å; I260-Y277 HydrophobicContact CB-CE1 4.44Å; I260-Y277 HydrophobicContact CD1-CD1 4.19Å; I260-Y277 HydrophobicContact CD1-CE1 3.71Å; I260-Y277 HydrophobicContact CG1-CD1 3.78Å; I260-Y277 HydrophobicContact CG1-CE1 3.77Å; I260-Y277 HydrophobicContact CG2-CD1 4.31Å; I260-Y277 HydrophobicContact CG2-CE1 3.94Å; P275-Y277 HydrophobicContact CB-CE2 4.08Å; P275-Y277 HydrophobicContact CG-CE2 3.84Å; P275-Y277 WeakPolarHBondContact CG-OH 3.01Å
278T96.6Very high82.1Confident68 Ų6892.4 Ų92.442%0.41743%0.431SS..EExtended strand (participates in β ladder)trans-131.3151.1166.346.30000109.1L259L259-T278 WeakPolarHBondContact CB-O 3.09Å; L259-T278 WeakPolarHBondContact CB-OG1 3.41Å; L259-T278 PolarHBondContact N-O 3.47Å; L259-T278 PolarHBondContact O-N 2.04Å
279F96.7Very high81.7Confident20 Ų2087.7 Ų87.79%0.08842%0.422CS..EExtended strand (participates in β ladder)trans-122.7132.9-175.7-51.2-71.8000108.9F222 F233 I238 E241 A242 G257 I258F222-F279 HydrophobicContact CD1-CZ 4.48Å; F222-F279 AromaticContact CE1-CE2 3.95Å; F222-F279 HydrophobicContact CE1-CE2 3.95Å; F222-F279 HydrophobicContact CE1-CZ 4.07Å; F233-F279 HydrophobicContact CD1-CE1 4.29Å; F233-F279 AromaticContact CD1-CZ 3.77Å; F233-F279 HydrophobicContact CD1-CZ 3.77Å; F233-F279 HydrophobicContact CE1-CE1 4.43Å; F233-F279 AromaticContact CE1-CZ 3.83Å; F233-F279 HydrophobicContact CE1-CZ 3.83Å; I238-F279 HydrophobicContact CB-CD1 4.31Å; I238-F279 HydrophobicContact CB-CE1 4.42Å; I238-F279 HydrophobicContact CG1-CD1 4.26Å; I238-F279 HydrophobicContact CG1-CE1 3.87Å; I238-F279 HydrophobicContact CG1-CZ 4.27Å; I238-F279 HydrophobicContact CG2-CB 4.44Å; I238-F279 HydrophobicContact CG2-CD1 3.64Å; I238-F279 HydrophobicContact CG2-CE1 4.11Å; I238-F279 HydrophobicContact CG2-CG 4.16Å; E241-F279 HydrophobicContact CB-CD2 3.63Å; E241-F279 HydrophobicContact CB-CE2 4.32Å; E241-F279 HydrophobicContact CB-CG 4.45Å; E241-F279 HydrophobicContact CG-CD2 4.36Å; E241-F279 WeakPolarHBondContact OE2-CD2 3.45Å; E241-F279 WeakPolarHBondContact OE2-CE2 3.37Å; A242-F279 HydrophobicContact CB-CB 4.06Å; G257-F279 WeakPolarHBondContact O-CA 3.3Å; I258-F279 HydrophobicContact CB-CD1 4.41Å; I258-F279 HydrophobicContact CB-CE1 4.49Å; I258-F279 HydrophobicContact CG1-CD1 4.08Å; I258-F279 HydrophobicContact CG1-CE1 4.25Å; I258-F279 HydrophobicContact CG2-CD1 4.19Å; I258-F279 HydrophobicContact CG2-CE1 3.84Å
280H94.4Very high81.4Confident115 Ų11582.5 Ų82.553%0.53241%0.407SS..EExtended strand (participates in β ladder)trans-148.6146.2-178.5-166.143.6000111.5L256 G257 L259L256-H280 CarbonylContact C-O 3.54Å; L256-H280 WeakPolarHBondContact CA-O 3.33Å; G257-H280 PolarHBondContact N-O 3.05Å; G257-H280 PolarHBondContact O-N 2.98Å; G257-H280 VanDerWaalsContact O-N 3.08Å; L259-H280 HydrophobicContact CD1-CB 4.1Å
281R93.3Very high81Confident38 Ų3887.8 Ų87.814%0.14344%0.435CS..EExtended strand (participates in β ladder)trans-77.7127.8171.6-169.7175.4-179.9161.4-1.2110E244 M249 L256 D283E244-R281 HydrophobicContact CG-CB 4.35Å; E244-R281 IonicContact OE1-NH1 3.8Å; E244-R281 IonicContact OE2-CZ 2.59Å; E244-R281 IonicContact OE2-NH1 3.77Å; E244-R281 PolarHBondContact OE2-NH1 2.94Å; M249-R281 HydrophobicContact CE-CG 4.46Å; L256-R281 HydrophobicContact CD2-CB 4.1Å; R281-D283 WeakPolarHBondContact CG-OD1 3.22Å; R281-D283 IonicContact CZ-OD1 2.84Å; R281-D283 IonicContact CZ-OD2 3.95Å; R281-D283 IonicContact NE-OD1 2.76Å; R281-D283 PolarHBondContact NE-OD1 3.17Å; R281-D283 IonicContact NE-OD2 3.92Å; R281-D283 PolarHBondContact NE-OD2 3.11Å; R281-D283 IonicContact NH2-OD1 2.98Å; R281-D283 IonicContact NH2-OD2 2.73Å; R281-D283 PolarHBondContact NH2-OD2 2.89Å
282L91.7Very high80.7Confident81 Ų8180.9 Ų80.942%0.42443%0.426SS..  trans-98.1-27.9-177.5-60.8178.8000112.2V255 D323 I325V255-L282 HydrophobicContact CB-CB 4.37Å; V255-L282 HydrophobicContact CG1-CB 4.09Å; V255-L282 HydrophobicContact CG1-CD1 4.21Å; V255-L282 PolarHBondContact O-N 3.04Å; L282-D323 HydrophobicContact CD1-CB 4.21Å; L282-I325 HydrophobicContact CD1-CD1 4.16Å
283D86.3Confident80.3Confident30 Ų3077 Ų7716%0.1642%0.415CS..SBendtrans-81.9148.9176.268-54.3000112.4V255 R281 K285V255-D283 HydrophobicContact CB-CB 4.1Å; V255-D283 HydrophobicContact CG2-CB 4.2Å; V255-D283 PolarHBondContact N-OD1 3.27Å; V255-D283 VanDerWaalsContact O-OD1 3.08Å; R281-D283 WeakPolarHBondContact CG-OD1 3.22Å; R281-D283 IonicContact CZ-OD1 2.84Å; R281-D283 IonicContact CZ-OD2 3.95Å; R281-D283 IonicContact NE-OD1 2.76Å; R281-D283 PolarHBondContact NE-OD1 3.17Å; R281-D283 IonicContact NE-OD2 3.92Å; R281-D283 PolarHBondContact NE-OD2 3.11Å; R281-D283 IonicContact NH2-OD1 2.98Å; R281-D283 IonicContact NH2-OD2 2.73Å; R281-D283 PolarHBondContact NH2-OD2 2.89Å; D283-K285 PolarHBondContact O-N 3.31Å
284N76.8Confident80Confident84 Ų8477.9 Ų77.945%0.44943%0.425SS..  trans-73122.4-175.9-171.43.3000111.6H286N284-H286 VanDerWaalsContact OD1-CB 3.24Å; N284-H286 WeakPolarHBondContact OD1-CB 3.43Å; N284-H286 PolarHBondContact OD1-CD2 2.65Å; N284-H286 PolarHBondContact OD1-N 3.18Å
285K71.4Confident80Confident111 Ų11176.3 Ų76.348%0.48342%0.419SS..  trans-94.8-1.2175.9-168.3178.2178171.40113.3E244 D283 P287E244-K285 WeakPolarHBondContact OE1-CD 3.21Å; E244-K285 IonicContact OE1-NZ 2.76Å; E244-K285 PolarHBondContact OE1-NZ 3.3Å; E244-K285 WeakPolarHBondContact OE2-CE 3.49Å; E244-K285 IonicContact OE2-NZ 3.79Å; E244-K285 PolarHBondContact OE2-NZ 3.05Å; D283-K285 PolarHBondContact O-N 3.31Å; K285-P287 WeakPolarHBondContact O-CD 3.04Å; K285-P287 VanDerWaalsContact O-N 3.12Å
286H67.8Low79.8Confident123 Ų12378.7 Ų78.757%0.56943%0.431SS*.  trans-58.2118.4-169.1-85.9-60.7000112.6N284 V288 N289 N290N284-H286 VanDerWaalsContact OD1-CB 3.24Å; N284-H286 WeakPolarHBondContact OD1-CB 3.43Å; N284-H286 PolarHBondContact OD1-CD2 2.65Å; N284-H286 PolarHBondContact OD1-N 3.18Å; H286-V288 PolarHBondContact O-N 2.99Å; H286-V288 VanDerWaalsContact O-N 3.07Å; H286-N289 HydrophobicContact CB-CB 4.41Å; H286-N289 PolarHBondContact O-N 3.46Å; H286-N290 WeakPolarHBondContact O-CB 3.42Å; H286-N290 PolarHBondContact O-N 3.08Å
287P62.3Low79.8Confident122 Ų12275.1 Ų75.179%0.79242%0.416SS*.THydrogen-bonded Turntrans-64-21.1-171.922.7-32.6000114K285K285-P287 WeakPolarHBondContact O-CD 3.04Å; K285-P287 VanDerWaalsContact O-N 3.12Å
288V61Low79.6Confident131 Ų13181.4 Ų81.479%0.79444%0.439SS*.THydrogen-bonded Turntrans-95.2-27.7-177.9-175.30000112.5H286H286-V288 PolarHBondContact O-N 2.99Å; H286-V288 VanDerWaalsContact O-N 3.07Å
289N59.1Low79.6Confident114 Ų11480.9 Ų80.961%0.6143%0.431SS*.SBendtrans-116.127.7-174.6-72.4-10.2000112.4H286 V291H286-N289 HydrophobicContact CB-CB 4.41Å; H286-N289 PolarHBondContact O-N 3.46Å; N289-V291 PolarHBondContact O-N 3.26Å
290N61.3Low79.5Confident61 Ų6181.2 Ų81.233%0.32644%0.438SS..  trans-90.974.3-178.5-156.8-5.9000111.5H286 A292 P293H286-N290 WeakPolarHBondContact O-CB 3.42Å; H286-N290 PolarHBondContact O-N 3.08Å; N290-A292 VanDerWaalsContact C-N 3.26Å; N290-A292 PolarHBondContact O-N 3.33Å; N290-A292 PolarHBondContact OD1-O 2.94Å; N290-P293 WeakPolarHBondContact ND2-CB 3.43Å; N290-P293 WeakPolarHBondContact OD1-CA 3.42Å
291V60.1Low79.5Confident144 Ų14480.5 Ų80.587%0.87343%0.433SS*.SBendtrans-68.3-27.5-179.8-1770000111.8N289N289-V291 PolarHBondContact O-N 3.26Å
292A64.6Low79.6Confident80 Ų8084.7 Ų84.766%0.66145%0.45SS*.SBendtrans-14087.7178.800000110.3N290 G294N290-A292 VanDerWaalsContact C-N 3.26Å; N290-A292 PolarHBondContact O-N 3.33Å; N290-A292 PolarHBondContact OD1-O 2.94Å; A292-G294 PolarHBondContact O-N 3.17Å
293P74.1Confident79.7Confident55 Ų5585.4 Ų85.436%0.35745%0.448SS..  trans-71.7122.3-177.327.1-33.9000112.2K252 N290K252-P293 HydrophobicContact CD-CB 4.1Å; K252-P293 HydrophobicContact CD-CG 4.38Å; N290-P293 WeakPolarHBondContact ND2-CB 3.43Å; N290-P293 WeakPolarHBondContact OD1-CA 3.42Å
294G83.9Confident80.1Confident23 Ų2393.3 Ų93.324%0.23748%0.475CS..SBendtrans91.1-155.1169.400000114.2K252 G253 A292K252-G294 WeakPolarHBondContact O-CA 3.16Å; G253-G294 WeakPolarHBondContact O-CA 3.46Å; A292-G294 PolarHBondContact O-N 3.17Å
295Y91.1Very high80.8Confident64 Ų6491.6 Ų91.625%0.25147%0.467SS..  trans-143121.1-178-178.8-105.7000110.5F103 K252 V255 F297 G319 R321F103-Y295 AromaticContact CD2-CD1 3.91Å; F103-Y295 HydrophobicContact CD2-CD1 3.91Å; F103-Y295 AromaticContact CD2-CE1 3.59Å; F103-Y295 HydrophobicContact CD2-CE1 3.59Å; F103-Y295 AromaticContact CE2-CD1 3.67Å; F103-Y295 HydrophobicContact CE2-CD1 3.67Å; F103-Y295 AromaticContact CE2-CE1 3.65Å; F103-Y295 HydrophobicContact CE2-CE1 3.65Å; K252-Y295 PolarHBondContact O-N 3.47Å; V255-Y295 HydrophobicContact CG2-CD2 4.19Å; V255-Y295 HydrophobicContact CG2-CG 4.23Å; Y295-F297 HydrophobicContact CE1-CD1 4.07Å; Y295-F297 HydrophobicContact CE1-CE1 4.32Å; Y295-G319 PolarHBondContact O-N 3.11Å; Y295-R321 HydrophobicContact CD1-CB 4.04Å; Y295-R321 HydrophobicContact CE1-CB 3.93Å
296N92.4Very high81.7Confident62 Ų6291.1 Ų91.133%0.33249%0.485SS..EExtended strand (participates in β ladder)trans-146.5157.7178.167.786.7000111.6K316 A317 Y318N296-K316 WeakPolarHBondContact OD1-CE 3.14Å; N296-A317 CarbonylContact C-O 3.54Å; N296-A317 WeakPolarHBondContact CA-O 3.37Å; N296-A317 VanDerWaalsContact CB-O 3.26Å; N296-A317 WeakPolarHBondContact CB-O 3.49Å; N296-Y318 HydrophobicContact CB-CD1 3.44Å; N296-Y318 VanDerWaalsContact CB-CD1 3.44Å; N296-Y318 HydrophobicContact CB-CE1 3.6Å; N296-Y318 HydrophobicContact CB-CG 4Å
297F93.6Very high82.8Confident51 Ų5193 Ų9322%0.22449%0.494CS..EExtended strand (participates in β ladder)trans-151.6164.2171.663.6-86.6000110.4I94 F103 Y295 F299 A317I94-F297 HydrophobicContact CB-CZ 4.11Å; I94-F297 HydrophobicContact CD1-CE2 4.45Å; I94-F297 HydrophobicContact CD1-CZ 4.1Å; I94-F297 HydrophobicContact CG2-CE2 4.09Å; I94-F297 HydrophobicContact CG2-CZ 3.87Å; F103-F297 AromaticContact CD1-CE1 3.87Å; F103-F297 HydrophobicContact CD1-CE1 3.87Å; F103-F297 HydrophobicContact CD1-CZ 4.05Å; F103-F297 HydrophobicContact CD2-CE1 4.07Å; F103-F297 AromaticContact CE1-CE1 3.57Å; F103-F297 HydrophobicContact CE1-CE1 3.57Å; F103-F297 AromaticContact CE1-CZ 3.82Å; F103-F297 HydrophobicContact CE1-CZ 3.82Å; F103-F297 HydrophobicContact CE2-CD1 4.43Å; F103-F297 AromaticContact CE2-CE1 3.76Å; F103-F297 HydrophobicContact CE2-CE1 3.76Å; F103-F297 HydrophobicContact CG-CE1 4.09Å; F103-F297 HydrophobicContact CZ-CD1 4.34Å; F103-F297 AromaticContact CZ-CE1 3.5Å; F103-F297 HydrophobicContact CZ-CE1 3.5Å; F103-F297 VanDerWaalsContact CZ-CE1 3.5Å; F103-F297 HydrophobicContact CZ-CZ 4.2Å; Y295-F297 HydrophobicContact CE1-CD1 4.07Å; Y295-F297 HydrophobicContact CE1-CE1 4.32Å; F297-F299 HydrophobicContact CD2-CD1 4.11Å; F297-F299 AromaticContact CE2-CD1 3.64Å; F297-F299 HydrophobicContact CE2-CD1 3.64Å; F297-F299 HydrophobicContact CE2-CE1 4.12Å; F297-A317 HydrophobicContact CE1-CB 4.38Å; F297-A317 HydrophobicContact CE2-CB 4.49Å; F297-A317 HydrophobicContact CZ-CB 4.23Å; F297-A317 PolarHBondContact N-O 3.39Å; F297-A317 PolarHBondContact O-N 2.82Å
298R93.9Very high84.1Confident132 Ų13289.6 Ų89.650%0.49848%0.48SS..EExtended strand (participates in β ladder)trans-112.2142.1178.8-67.1177.9177.797.3-6.4110.6E171 L314 I315 K316E171-R298 IonicContact OE1-CZ 3.84Å; E171-R298 IonicContact OE1-NE 3.3Å; E171-R298 PolarHBondContact OE1-NE 3.47Å; E171-R298 IonicContact OE1-NH2 3.56Å; E171-R298 PolarHBondContact OE1-NH2 3.1Å; E171-R298 WeakPolarHBondContact OE2-CD 3.28Å; E171-R298 IonicContact OE2-CZ 3.68Å; E171-R298 IonicContact OE2-NE 2.72Å; E171-R298 PolarHBondContact OE2-NE 3.39Å; E171-R298 IonicContact OE2-NH2 2.77Å; R298-L314 HydrophobicContact CB-CD1 4.26Å; R298-I315 WeakPolarHBondContact CA-O 3.22Å; R298-K316 HydrophobicContact CG-CB 3.98Å; R298-K316 HydrophobicContact CG-CD 4.47Å; R298-K316 HydrophobicContact CG-CG 3.98Å; R298-K316 VanDerWaalsContact NH2-NZ 3.11Å
299F95Very high85.5Confident58 Ų5888.1 Ų88.125%0.25447%0.465SS..EExtended strand (participates in β ladder)trans-144.6164.3167.765.8-81.9000109.4I94 F297 I315 A317I94-F299 HydrophobicContact CD1-CE1 3.73Å; I94-F299 HydrophobicContact CD1-CZ 3.75Å; F297-F299 HydrophobicContact CD2-CD1 4.11Å; F297-F299 AromaticContact CE2-CD1 3.64Å; F297-F299 HydrophobicContact CE2-CD1 3.64Å; F297-F299 HydrophobicContact CE2-CE1 4.12Å; F299-I315 HydrophobicContact CD1-CB 4.27Å; F299-I315 HydrophobicContact CD1-CG2 4.35Å; F299-I315 HydrophobicContact CD2-CB 4.4Å; F299-I315 HydrophobicContact CD2-CD1 4.39Å; F299-I315 HydrophobicContact CE1-CB 3.95Å; F299-I315 HydrophobicContact CE1-CG2 3.61Å; F299-I315 HydrophobicContact CE2-CB 4.1Å; F299-I315 HydrophobicContact CE2-CD1 3.64Å; F299-I315 HydrophobicContact CE2-CG1 4.39Å; F299-I315 HydrophobicContact CE2-CG2 4.3Å; F299-I315 HydrophobicContact CG-CB 4.5Å; F299-I315 HydrophobicContact CZ-CB 3.87Å; F299-I315 HydrophobicContact CZ-CD1 3.89Å; F299-I315 HydrophobicContact CZ-CG1 4.47Å; F299-I315 HydrophobicContact CZ-CG2 3.58Å; F299-I315 PolarHBondContact N-O 3.17Å; F299-I315 PolarHBondContact O-N 3.05Å; F299-A317 HydrophobicContact CE1-CB 3.95Å
300A95.6Very high87.2Confident27 Ų2787 Ų8722%0.22346%0.456CS..EExtended strand (participates in β ladder)trans-127.9145.1-178.900000111.1Y302 R312 T313A300-Y302 HydrophobicContact CB-CD2 4.28Å; A300-Y302 HydrophobicContact CB-CE2 3.67Å; A300-R312 HydrophobicContact CB-CB 4.39Å; A300-R312 HydrophobicContact CB-CG 4.5Å; A300-T313 WeakPolarHBondContact CA-O 3.37Å
301K94.3Very high88.9Confident100 Ų10084.5 Ų84.544%0.43544%0.443SS..EExtended strand (participates in β ladder)trans-104.2111.6168.2-64.3-176-179.8-175.40107.8R312 T313 I315K301-R312 CarbonylContact O-C 3.56Å; K301-R312 VanDerWaalsContact O-CA 3.28Å; K301-R312 WeakPolarHBondContact O-CA 3.35Å; K301-T313 PolarHBondContact N-O 2.96Å; K301-T313 PolarHBondContact O-N 2.88Å; K301-I315 HydrophobicContact CD-CD1 3.92Å; K301-I315 HydrophobicContact CG-CD1 4.03Å
302Y95.2Very high90.6Very high125 Ų12579.5 Ų79.549%0.4941%0.408SS..EExtended strand (participates in β ladder)trans-89.2139.2-179.8-66.3-91.3000110.7W167 A300 R312W167-Y302 HydrophobicContact CH2-CD1 4.28Å; W167-Y302 AromaticContact CH2-CE1 3.85Å; W167-Y302 HydrophobicContact CH2-CE1 3.85Å; W167-Y302 AromaticContact CZ2-CE1 3.85Å; W167-Y302 HydrophobicContact CZ2-CE1 3.85Å; A300-Y302 HydrophobicContact CB-CD2 4.28Å; A300-Y302 HydrophobicContact CB-CE2 3.67Å; Y302-R312 HydrophobicContact CD1-CB 3.69Å; Y302-R312 HydrophobicContact CE1-CB 3.83Å; Y302-R312 HydrophobicContact CE1-CG 4.3Å; Y302-R312 HydrophobicContact CG-CB 4.21Å; Y302-R312 PolarHBondContact OH-NH1 2.87Å
303Y94.5Very high92Very high97 Ų9776.8 Ų76.838%0.3838%0.384SS..EExtended strand (participates in β ladder)trans-148.7169.4175.655.8-86000110G113 V311 T313G113-Y303 PolarHBondContact N-OH 3.31Å; Y303-V311 HydrophobicContact CD2-CB 4.02Å; Y303-V311 HydrophobicContact CD2-CG1 4.43Å; Y303-V311 HydrophobicContact CE1-CG1 4.27Å; Y303-V311 HydrophobicContact CE2-CB 3.63Å; Y303-V311 HydrophobicContact CE2-CG1 3.57Å; Y303-V311 VanDerWaalsContact CZ-CG1 3.47Å; Y303-V311 PolarHBondContact N-O 3.03Å; Y303-V311 PolarHBondContact O-N 2.85Å; Y303-V311 WeakPolarHBondContact OH-CG1 3.18Å; Y303-T313 WeakPolarHBondContact CE1-OG1 3.39Å
304R94.1Very high93Very high196 Ų19675.1 Ų75.174%0.7437%0.371SS*.EExtended strand (participates in β ladder)trans-118.4142.2176.4-70-174.9176.6-176-3.5110E309R304-E309 VanDerWaalsContact CA-O 3.31Å; R304-E309 WeakPolarHBondContact CA-O 3.36Å
305T90.6Very high93.4Very high47 Ų4774.2 Ų74.229%0.28836%0.361SS..  trans-74.5170.7171.6570000110.9E307 G308 E309 V311T305-E307 VanDerWaalsContact CB-OE2 3.3Å; T305-E307 WeakPolarHBondContact CB-OE2 3.36Å; T305-E307 PolarHBondContact O-N 3.43Å; T305-E307 PolarHBondContact OG1-OE2 3.18Å; T305-G308 PolarHBondContact O-N 2.06Å; T305-G308 VanDerWaalsContact O-N 3.07Å; T305-E309 PolarHBondContact N-O 2.83Å; T305-E309 WeakPolarHBondContact OG1-CB 3.48Å; T305-E309 PolarHBondContact OG1-N 3.35Å; T305-E309 PolarHBondContact OG1-O 3.25Å; T305-V311 HydrophobicContact CG2-CG2 3.53Å
306A91.2Very high93.5Very high102 Ų10271.7 Ų71.784%0.84335%0.352SS*.THydrogen-bonded Turntrans-62.2-28.3176.700000111.8G308A306-G308 VanDerWaalsContact C-N 3.26Å; A306-G308 PolarHBondContact O-N 3.48Å
307E89.9Confident93.6Very high163 Ų16368.8 Ų68.876%0.76234%0.336SS*.THydrogen-bonded Turntrans-79.9-4.9178.1-58.670.9-150.600112.8T305T305-E307 VanDerWaalsContact CB-OE2 3.3Å; T305-E307 WeakPolarHBondContact CB-OE2 3.36Å; T305-E307 PolarHBondContact O-N 3.43Å; T305-E307 PolarHBondContact OG1-OE2 3.18Å
308G90.1Very high93.6Very high49 Ų4966.7 Ų66.751%0.50533%0.327SS..  trans87.34.5177.600000115.4T305 A306T305-G308 PolarHBondContact O-N 2.06Å; T305-G308 VanDerWaalsContact O-N 3.07Å; A306-G308 VanDerWaalsContact C-N 3.26Å; A306-G308 PolarHBondContact O-N 3.48Å
309E91.8Very high93.6Very high101 Ų10160.4 Ų60.447%0.47230%0.303SS..  trans-71.7139.6176.3-166.4-179.7173.900110.9T115 R304 T305T115-E309 WeakPolarHBondContact CB-OE1 3.34Å; T115-E309 WeakPolarHBondContact CG2-OE1 3.49Å; R304-E309 VanDerWaalsContact CA-O 3.31Å; R304-E309 WeakPolarHBondContact CA-O 3.36Å; T305-E309 PolarHBondContact N-O 2.83Å; T305-E309 WeakPolarHBondContact OG1-CB 3.48Å; T305-E309 PolarHBondContact OG1-N 3.35Å; T305-E309 PolarHBondContact OG1-O 3.25Å
310E94.6Very high93.6Very high90 Ų9057.7 Ų57.742%0.42129%0.291SS..EExtended strand (participates in β ladder)trans-81.6122.9176.2-173.8176.8-156.900110.6W167W167-E310 HydrophobicContact CH2-CG 4.12Å
311V95.9Very high93.6Very high8 Ų860.4 Ų60.45%0.04830%0.295CS..EExtended strand (participates in β ladder)trans-127.7148.8-178.4-171.90000109Q114 T115 Y303 T305Q114-V311 CarbonylContact O-C 3.54Å; Q114-V311 VanDerWaalsContact O-CA 3.32Å; Q114-V311 WeakPolarHBondContact O-CA 3.08Å; Q114-V311 WeakPolarHBondContact O-CG1 3.41Å; T115-V311 HydrophobicContact CG2-CG1 4.26Å; T115-V311 HydrophobicContact CG2-CG2 3.87Å; Y303-V311 HydrophobicContact CD2-CB 4.02Å; Y303-V311 HydrophobicContact CD2-CG1 4.43Å; Y303-V311 HydrophobicContact CE1-CG1 4.27Å; Y303-V311 HydrophobicContact CE2-CB 3.63Å; Y303-V311 HydrophobicContact CE2-CG1 3.57Å; Y303-V311 VanDerWaalsContact CZ-CG1 3.47Å; Y303-V311 PolarHBondContact N-O 3.03Å; Y303-V311 PolarHBondContact O-N 2.85Å; Y303-V311 WeakPolarHBondContact OH-CG1 3.18Å; T305-V311 HydrophobicContact CG2-CG2 3.53Å
312R95.8Very high93.7Very high39 Ų3955.7 Ų55.715%0.14728%0.275CS..EExtended strand (participates in β ladder)trans-133.2153.7172.474.9-176.9-165.3-178.4-1.4112.4G113 Q114 W167 A300 K301 Y302G113-R312 PolarHBondContact N-O 2.8Å; Q114-R312 HydrophobicContact CB-CG 3.79Å; Q114-R312 WeakPolarHBondContact CB-O 3.11Å; Q114-R312 PolarHBondContact N-O 2.78Å; Q114-R312 PolarHBondContact O-N 3.37Å; Q114-R312 VanDerWaalsContact OE1-NH2 3.09Å; W167-R312 VanDerWaalsContact CB-NH2 3.27Å; W167-R312 VanDerWaalsContact CD1-NH2 3.33Å; W167-R312 HydrophobicContact CD2-CG 4.14Å; W167-R312 HydrophobicContact CE3-CG 3.64Å; W167-R312 HydrophobicContact CH2-CG 4.41Å; W167-R312 HydrophobicContact CZ3-CB 4.25Å; W167-R312 HydrophobicContact CZ3-CG 3.8Å; A300-R312 HydrophobicContact CB-CB 4.39Å; A300-R312 HydrophobicContact CB-CG 4.5Å; K301-R312 CarbonylContact O-C 3.56Å; K301-R312 VanDerWaalsContact O-CA 3.28Å; K301-R312 WeakPolarHBondContact O-CA 3.35Å; Y302-R312 HydrophobicContact CD1-CB 3.69Å; Y302-R312 HydrophobicContact CE1-CB 3.83Å; Y302-R312 HydrophobicContact CE1-CG 4.3Å; Y302-R312 HydrophobicContact CG-CB 4.21Å; Y302-R312 PolarHBondContact OH-NH1 2.87Å
313T94.4Very high93.7Very high24 Ų2451.2 Ų51.215%0.14726%0.26CS..EExtended strand (participates in β ladder)trans-102.4113.1162.1-62.80000107.8P112 A300 K301 Y303 I315P112-T313 HydrophobicContact CB-CG2 4.25Å; A300-T313 WeakPolarHBondContact CA-O 3.37Å; K301-T313 PolarHBondContact N-O 2.96Å; K301-T313 PolarHBondContact O-N 2.88Å; Y303-T313 WeakPolarHBondContact CE1-OG1 3.39Å; T313-I315 HydrophobicContact CG2-CD1 4.47Å; T313-I315 HydrophobicContact CG2-CG1 4.03Å
314L95.1Very high93.8Very high19 Ų1947.1 Ų47.110%0.09925%0.245CC..EExtended strand (participates in β ladder)trans-79.4134.4172177.966.3000109.2M110 T111 Q114 E171 R298M110-L314 WeakPolarHBondContact CA-O 3.38Å; T111-L314 PolarHBondContact N-O 3.22Å; T111-L314 PolarHBondContact O-N 3.16Å; Q114-L314 VanDerWaalsContact OE1-CB 3.3Å; E171-L314 HydrophobicContact CB-CD2 4.02Å; E171-L314 WeakPolarHBondContact OE2-CD2 3.02Å; R298-L314 HydrophobicContact CB-CD1 4.26Å
315I92.5Very high93.9Very high4 Ų441.3 Ų41.32%0.02123%0.227CC..EExtended strand (participates in β ladder)trans-128.9113.9-176.9-57.5175.6000107.4V108 M110 R298 F299 K301 T313V108-I315 HydrophobicContact CG2-CG2 3.34Å; M110-I315 HydrophobicContact CG-CG1 4.41Å; R298-I315 WeakPolarHBondContact CA-O 3.22Å; F299-I315 HydrophobicContact CD1-CB 4.27Å; F299-I315 HydrophobicContact CD1-CG2 4.35Å; F299-I315 HydrophobicContact CD2-CB 4.4Å; F299-I315 HydrophobicContact CD2-CD1 4.39Å; F299-I315 HydrophobicContact CE1-CB 3.95Å; F299-I315 HydrophobicContact CE1-CG2 3.61Å; F299-I315 HydrophobicContact CE2-CB 4.1Å; F299-I315 HydrophobicContact CE2-CD1 3.64Å; F299-I315 HydrophobicContact CE2-CG1 4.39Å; F299-I315 HydrophobicContact CE2-CG2 4.3Å; F299-I315 HydrophobicContact CG-CB 4.5Å; F299-I315 HydrophobicContact CZ-CB 3.87Å; F299-I315 HydrophobicContact CZ-CD1 3.89Å; F299-I315 HydrophobicContact CZ-CG1 4.47Å; F299-I315 HydrophobicContact CZ-CG2 3.58Å; F299-I315 PolarHBondContact N-O 3.17Å; F299-I315 PolarHBondContact O-N 3.05Å; K301-I315 HydrophobicContact CD-CD1 3.92Å; K301-I315 HydrophobicContact CG-CD1 4.03Å; T313-I315 HydrophobicContact CG2-CD1 4.47Å; T313-I315 HydrophobicContact CG2-CG1 4.03Å
316K93.4Very high94.2Very high12 Ų1240.2 Ų40.25%0.05222%0.22CC..EExtended strand (participates in β ladder)trans-94.6108.8166.9-175.5174.2-173.4-177.90108.8V108 V109 E171 D173 N296 R298 Y318V108-K316 WeakPolarHBondContact CA-O 3.39Å; V109-K316 HydrophobicContact CB-CB 4.32Å; V109-K316 PolarHBondContact N-O 2.95Å; V109-K316 PolarHBondContact O-N 3.04Å; E171-K316 WeakPolarHBondContact OE1-CD 3.42Å; E171-K316 IonicContact OE1-NZ 3.81Å; D173-K316 IonicContact OD1-NZ 2.79Å; D173-K316 IonicContact OD2-NZ 3.63Å; D173-K316 PolarHBondContact OD2-NZ 2.99Å; N296-K316 WeakPolarHBondContact OD1-CE 3.14Å; R298-K316 HydrophobicContact CG-CB 3.98Å; R298-K316 HydrophobicContact CG-CD 4.47Å; R298-K316 HydrophobicContact CG-CG 3.98Å; R298-K316 VanDerWaalsContact NH2-NZ 3.11Å; K316-Y318 HydrophobicContact CD-CE2 3.98Å; K316-Y318 WeakPolarHBondContact CE-OH 3.14Å; K316-Y318 HydrophobicContact CG-CE2 3.88Å; K316-Y318 PolarHBondContact NZ-OH 2.86Å
317A93.4Very high94.5Very high0 Ų039.4 Ų39.40%020%0.198CC..EExtended strand (participates in β ladder)trans-96.2132.5-178.900000111F103 L105 N296 F297 F299F103-A317 HydrophobicContact CE1-CB 4.31Å; F103-A317 HydrophobicContact CZ-CB 4.26Å; L105-A317 HydrophobicContact CD1-CB 3.7Å; L105-A317 HydrophobicContact CG-CB 4.41Å; N296-A317 CarbonylContact C-O 3.54Å; N296-A317 WeakPolarHBondContact CA-O 3.37Å; N296-A317 VanDerWaalsContact CB-O 3.26Å; N296-A317 WeakPolarHBondContact CB-O 3.49Å; F297-A317 HydrophobicContact CE1-CB 4.38Å; F297-A317 HydrophobicContact CE2-CB 4.49Å; F297-A317 HydrophobicContact CZ-CB 4.23Å; F297-A317 PolarHBondContact N-O 3.39Å; F297-A317 PolarHBondContact O-N 2.82Å; F299-A317 HydrophobicContact CE1-CB 3.95Å
318Y94Very high94.7Very high8 Ų832.2 Ų32.23%0.03117%0.168CC..EExtended strand (participates in β ladder)trans-111.7139.8168.1-62.2-94.7000108T106 N107 V109 D173 L176 N296 K316T106-Y318 PolarHBondContact N-O 2.9Å; T106-Y318 PolarHBondContact OG1-O 3.46Å; N107-Y318 PolarHBondContact N-O 2.91Å; N107-Y318 WeakPolarHBondContact O-CA 3.36Å; N107-Y318 PolarHBondContact O-N 2.87Å; V109-Y318 HydrophobicContact CG2-CE2 4.14Å; D173-Y318 PolarHBondContact OD1-OH 3.19Å; D173-Y318 PolarHBondContact OD2-OH 2.6Å; L176-Y318 HydrophobicContact CD1-CE1 4.04Å; L176-Y318 HydrophobicContact CD2-CD2 4.12Å; L176-Y318 HydrophobicContact CD2-CE1 4.4Å; L176-Y318 HydrophobicContact CD2-CE2 3.45Å; L176-Y318 VanDerWaalsContact CD2-CE2 3.45Å; N296-Y318 HydrophobicContact CB-CD1 3.44Å; N296-Y318 VanDerWaalsContact CB-CD1 3.44Å; N296-Y318 HydrophobicContact CB-CE1 3.6Å; N296-Y318 HydrophobicContact CB-CG 4Å; K316-Y318 HydrophobicContact CD-CE2 3.98Å; K316-Y318 WeakPolarHBondContact CE-OH 3.14Å; K316-Y318 HydrophobicContact CG-CE2 3.88Å; K316-Y318 PolarHBondContact NZ-OH 2.86Å
319G94.4Very high94.9Very high0 Ų033.6 Ų33.60%017%0.167CC..EExtended strand (participates in β ladder)trans-178.6177.3-176.100000113.9F103 V104 T106 G253 G254 Y295F103-G319 VanDerWaalsContact CZ-CA 3.44Å; V104-G319 CarbonylContact O-C 3.55Å; V104-G319 WeakPolarHBondContact O-CA 3.28Å; T106-G319 WeakPolarHBondContact OG1-CA 3.24Å; G253-G319 CarbonylContact C-O 3.58Å; G253-G319 WeakPolarHBondContact CA-O 3.33Å; G254-G319 PolarHBondContact N-O 3.25Å; G254-G319 VanDerWaalsContact N-O 3.1Å; Y295-G319 PolarHBondContact O-N 3.11Å
320I95.5Very high95.1Very high1 Ų128.8 Ų28.81%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-100.6120.3-177.7-53.2176000107.7F103 V104 T106 V239 F246 M249 G254 L256 F322F103-I320 WeakPolarHBondContact CA-O 3.31Å; V104-I320 PolarHBondContact N-O 3.46Å; V104-I320 PolarHBondContact O-N 3.46Å; T106-I320 HydrophobicContact CG2-CD1 4.38Å; T106-I320 HydrophobicContact CG2-CG1 4.22Å; V239-I320 HydrophobicContact CG2-CD1 4.32Å; F246-I320 HydrophobicContact CD2-CD1 4.16Å; F246-I320 HydrophobicContact CE2-CD1 3.78Å; F246-I320 HydrophobicContact CZ-CD1 4.12Å; M249-I320 HydrophobicContact CB-CD1 4.23Å; M249-I320 HydrophobicContact CG-CD1 3.97Å; M249-I320 HydrophobicContact CG-CG1 3.97Å; M249-I320 HydrophobicContact SD-CD1 3.86Å; M249-I320 HydrophobicContact SD-CG1 4.01Å; M249-I320 HydrophobicContact SD-CG2 3.98Å; G254-I320 WeakPolarHBondContact O-CA 3.48Å; L256-I320 HydrophobicContact CD1-CG2 3.86Å; L256-I320 HydrophobicContact CG-CG2 4.33Å; I320-F322 HydrophobicContact CB-CD2 4.47Å; I320-F322 HydrophobicContact CB-CE2 3.74Å; I320-F322 HydrophobicContact CB-CZ 4.01Å; I320-F322 HydrophobicContact CG2-CD1 4.49Å; I320-F322 HydrophobicContact CG2-CD2 4.07Å; I320-F322 HydrophobicContact CG2-CE1 3.98Å; I320-F322 HydrophobicContact CG2-CE2 3.51Å; I320-F322 HydrophobicContact CG2-CZ 3.46Å; I320-F322 VanDerWaalsContact CG2-CZ 3.46Å
321R95.3Very high95Very high84 Ų8424.8 Ų24.832%0.31713%0.127SC..EExtended strand (participates in β ladder)trans-91.3127.5170.6-180177.8167.4167.8-1109F103 G254 V255 L256 Y295 D323F103-R321 HydrophobicContact CD2-CB 4.37Å; G254-R321 PolarHBondContact O-N 2.98Å; V255-R321 CarbonylContact C-O 3.43Å; V255-R321 WeakPolarHBondContact CA-O 3.35Å; V255-R321 HydrophobicContact CG1-CB 4.41Å; V255-R321 HydrophobicContact CG2-CB 4.41Å; L256-R321 PolarHBondContact N-O 3.03Å; Y295-R321 HydrophobicContact CD1-CB 4.04Å; Y295-R321 HydrophobicContact CE1-CB 3.93Å; R321-D323 IonicContact CZ-OD1 3.5Å; R321-D323 IonicContact NE-OD1 2.82Å; R321-D323 PolarHBondContact NE-OD1 2.85Å; R321-D323 IonicContact NE-OD2 3.48Å; R321-D323 IonicContact NH2-OD1 3.3Å; R321-D323 PolarHBondContact NH2-OD1 3.18Å; R321-D323 IonicContact NH2-OD2 3.61Å
322F95.8Very high94.9Very high0 Ų028.7 Ų28.70%014%0.143CC..EExtended strand (participates in β ladder)trans-110115.6176.8-62.6-92.3000109.2S101 F102 V104 L235 I238 L256 I258 I320S101-F322 CarbonylContact C-O 3.45Å; S101-F322 WeakPolarHBondContact CA-O 3.35Å; F102-F322 HydrophobicContact CD1-CB 3.91Å; F102-F322 HydrophobicContact CD2-CB 4.2Å; F102-F322 AromaticContact CD2-CD2 3.88Å; F102-F322 HydrophobicContact CD2-CD2 3.88Å; F102-F322 HydrophobicContact CD2-CG 4.39Å; F102-F322 HydrophobicContact CE1-CB 3.41Å; F102-F322 VanDerWaalsContact CE1-CB 3.41Å; F102-F322 HydrophobicContact CE1-CG 4.11Å; F102-F322 HydrophobicContact CE2-CB 3.74Å; F102-F322 AromaticContact CE2-CD2 3.25Å; F102-F322 HydrophobicContact CE2-CD2 3.25Å; F102-F322 AromaticContact CE2-CE2 3.96Å; F102-F322 HydrophobicContact CE2-CE2 3.96Å; F102-F322 AromaticContact CE2-CG 3.63Å; F102-F322 HydrophobicContact CE2-CG 3.63Å; F102-F322 HydrophobicContact CG-CB 4.28Å; F102-F322 HydrophobicContact CZ-CB 3.3Å; F102-F322 HydrophobicContact CZ-CD1 4.19Å; F102-F322 AromaticContact CZ-CD2 3.64Å; F102-F322 HydrophobicContact CZ-CD2 3.64Å; F102-F322 HydrophobicContact CZ-CE2 4.48Å; F102-F322 AromaticContact CZ-CG 3.45Å; F102-F322 HydrophobicContact CZ-CG 3.45Å; F102-F322 VanDerWaalsContact CZ-CG 3.45Å; F102-F322 PolarHBondContact N-O 2.93Å; F102-F322 PolarHBondContact O-N 3.31Å; V104-F322 HydrophobicContact CB-CE2 4.41Å; V104-F322 HydrophobicContact CG2-CD2 4.38Å; V104-F322 HydrophobicContact CG2-CE2 4.09Å; L235-F322 HydrophobicContact CD1-CE2 4.42Å; L235-F322 HydrophobicContact CD2-CE1 4.45Å; L235-F322 HydrophobicContact CD2-CE2 4.18Å; L235-F322 HydrophobicContact CD2-CZ 3.96Å; I238-F322 HydrophobicContact CB-CE1 4.39Å; I238-F322 HydrophobicContact CG2-CD1 4.09Å; I238-F322 HydrophobicContact CG2-CE1 3.78Å; L256-F322 HydrophobicContact CB-CD1 3.94Å; L256-F322 HydrophobicContact CB-CE1 4.2Å; L256-F322 HydrophobicContact CD1-CD1 4.29Å; L256-F322 HydrophobicContact CD1-CE1 3.69Å; L256-F322 HydrophobicContact CD1-CZ 4.33Å; L256-F322 CarbonylContact O-C 3.59Å; L256-F322 VanDerWaalsContact O-CA 3.29Å; L256-F322 WeakPolarHBondContact O-CA 3.34Å; I258-F322 HydrophobicContact CD1-CB 4.24Å; I258-F322 HydrophobicContact CD1-CD1 4.14Å; I258-F322 HydrophobicContact CG1-CD1 4.45Å; I320-F322 HydrophobicContact CB-CD2 4.47Å; I320-F322 HydrophobicContact CB-CE2 3.74Å; I320-F322 HydrophobicContact CB-CZ 4.01Å; I320-F322 HydrophobicContact CG2-CD1 4.49Å; I320-F322 HydrophobicContact CG2-CD2 4.07Å; I320-F322 HydrophobicContact CG2-CE1 3.98Å; I320-F322 HydrophobicContact CG2-CE2 3.51Å; I320-F322 HydrophobicContact CG2-CZ 3.46Å; I320-F322 VanDerWaalsContact CG2-CZ 3.46Å
323D95.6Very high94.8Very high32 Ų3232.3 Ų32.317%0.17116%0.16CC..EExtended strand (participates in β ladder)trans-99.9120.1176-70.4-17000109.2S101 L256 G257 I258 L282 R321 I325S101-D323 WeakPolarHBondContact CB-OD1 3.42Å; L256-D323 PolarHBondContact O-N 3.04Å; G257-D323 CarbonylContact C-O 3.57Å; G257-D323 WeakPolarHBondContact CA-O 3.49Å; I258-D323 PolarHBondContact N-O 2.88Å; L282-D323 HydrophobicContact CD1-CB 4.21Å; R321-D323 IonicContact CZ-OD1 3.5Å; R321-D323 IonicContact NE-OD1 2.82Å; R321-D323 PolarHBondContact NE-OD1 2.85Å; R321-D323 IonicContact NE-OD2 3.48Å; R321-D323 IonicContact NH2-OD1 3.3Å; R321-D323 PolarHBondContact NH2-OD1 3.18Å; R321-D323 IonicContact NH2-OD2 3.61Å; D323-I325 HydrophobicContact CB-CG1 4.47Å; D323-I325 PolarHBondContact O-N 3.03Å
324V96.4Very high94.8Very high11 Ų1131.4 Ų31.47%0.06716%0.156CC..EExtended strand (participates in β ladder)trans-91.6103.8179.7-173.30000109V67 T69 G100 F102 I192 I258 I260 V326V67-V324 HydrophobicContact CG1-CB 3.99Å; V67-V324 HydrophobicContact CG1-CG1 3.81Å; V67-V324 HydrophobicContact CG1-CG2 4.31Å; V67-V324 HydrophobicContact CG2-CG1 4.09Å; T69-V324 HydrophobicContact CG2-CG2 4Å; G100-V324 PolarHBondContact O-N 3.46Å; F102-V324 HydrophobicContact CE1-CG2 4.35Å; I192-V324 HydrophobicContact CD1-CG2 4.38Å; I192-V324 HydrophobicContact CG2-CG1 4.28Å; I258-V324 HydrophobicContact CB-CG2 4.37Å; I258-V324 HydrophobicContact CD1-CG2 4.42Å; I258-V324 CarbonylContact O-C 3.59Å; I258-V324 WeakPolarHBondContact O-CA 3.32Å; I260-V324 HydrophobicContact CD1-CG1 3.54Å; I260-V324 HydrophobicContact CG1-CG1 4.18Å; V324-V326 HydrophobicContact CG1-CG2 4.39Å
325I96.2Very high94.7Very high73 Ų7335.3 Ų35.337%0.37418%0.176SC..EExtended strand (participates in β ladder)trans-104.1113-174.1-56.3170.2000108.6I258 L259 I260 L282 D323 F327I258-I325 PolarHBondContact O-N 2.86Å; L259-I325 CarbonylContact C-O 3.58Å; L259-I325 WeakPolarHBondContact CA-O 3.06Å; I260-I325 PolarHBondContact N-O 2.87Å; L282-I325 HydrophobicContact CD1-CD1 4.16Å; D323-I325 HydrophobicContact CB-CG1 4.47Å; D323-I325 PolarHBondContact O-N 3.03Å; I325-F327 HydrophobicContact CG2-CD1 4.39Å
326V97Very high94.7Very high24 Ų2439.5 Ų39.515%0.14520%0.201CC..EExtended strand (participates in β ladder)trans-105.2128.8-179.3-171.40000109.3S65 V67 I196 I260 V324S65-V326 WeakPolarHBondContact OG-CB 3.48Å; V67-V326 HydrophobicContact CG2-CG2 3.51Å; I196-V326 HydrophobicContact CG2-CG1 4.22Å; I260-V326 HydrophobicContact CB-CG1 4.42Å; I260-V326 HydrophobicContact CB-CG2 4.23Å; I260-V326 HydrophobicContact CD1-CG2 4.18Å; I260-V326 HydrophobicContact CG1-CG2 4.46Å; V324-V326 HydrophobicContact CG1-CG2 4.39Å
327F96.7Very high94.6Very high86 Ų8640 Ų4038%0.37721%0.206SC..EExtended strand (participates in β ladder)trans-146.5168.2176.961-85.6000110.3L259 I260 D261 W262 I325L259-F327 HydrophobicContact CB-CE1 3.85Å; L259-F327 HydrophobicContact CB-CZ 4.47Å; L259-F327 HydrophobicContact CD2-CE1 3.86Å; L259-F327 HydrophobicContact CD2-CZ 4.3Å; L259-F327 HydrophobicContact CG-CE1 4.18Å; I260-F327 PolarHBondContact O-N 3.37Å; I260-F327 VanDerWaalsContact O-O 3.09Å; D261-F327 CarbonylContact C-O 3.56Å; D261-F327 WeakPolarHBondContact CA-O 3.22Å; D261-F327 HydrophobicContact CB-CD2 4.44Å; D261-F327 HydrophobicContact CB-CE2 3.76Å; D261-F327 HydrophobicContact CB-CZ 3.9Å; W262-F327 PolarHBondContact N-O 3.03Å; I325-F327 HydrophobicContact CG2-CD1 4.39Å
328G95.3Very high94.5Very high12 Ų1241.5 Ų41.512%0.12422%0.215CC..  trans148.5158.7178.700000111.9V63V63-G328 PolarHBondContact N-O 3.04Å
329T94.6Very high94.4Very high78 Ų7846.3 Ų46.348%0.47924%0.24SC..EExtended strand (participates in β ladder)trans-124.2137.2175.654.30000110D61 S263 C264D61-T329 WeakPolarHBondContact O-CA 3.49Å; S263-T329 CarbonylContact C-O 3.47Å; S263-T329 VanDerWaalsContact CA-O 3.3Å; S263-T329 WeakPolarHBondContact CA-O 3.39Å; C264-T329 PolarHBondContact N-O 2.94Å
330A94.5Very high94.3Very high0 Ų050.7 Ų50.70%027%0.266CS..EExtended strand (participates in β ladder)trans-97.1135.6168.700000109.6T60 D61 Y198 F201 C264 L266T60-A330 CarbonylContact C-O 3.49Å; T60-A330 WeakPolarHBondContact CA-O 3.33Å; D61-A330 PolarHBondContact N-O 2.67Å; D61-A330 PolarHBondContact O-N 3.23Å; Y198-A330 HydrophobicContact CD1-CB 3.53Å; Y198-A330 HydrophobicContact CD2-CB 3.55Å; Y198-A330 HydrophobicContact CE1-CB 3.57Å; Y198-A330 HydrophobicContact CE2-CB 3.61Å; Y198-A330 HydrophobicContact CG-CB 3.52Å; F201-A330 HydrophobicContact CD2-CB 3.98Å; F201-A330 HydrophobicContact CE2-CB 3.91Å; F201-A330 WeakPolarHBondContact CE2-O 3.46Å; C264-A330 CarbonylContact O-C 3.59Å; C264-A330 VanDerWaalsContact O-CA 3.28Å; C264-A330 WeakPolarHBondContact O-CA 3.47Å; L266-A330 HydrophobicContact CD1-CB 3.85Å; L266-A330 HydrophobicContact CG-CB 4.13Å
331G93.9Very high93.9Very high5 Ų553.6 Ų53.65%0.05228%0.282CS..EExtended strand (participates in β ladder)trans-110.1134168.700000110.9E59 C264 L266E59-G331 WeakPolarHBondContact O-CA 3.47Å; C264-G331 PolarHBondContact O-N 2.96Å; L266-G331 PolarHBondContact N-O 2.82Å
332K93.7Very high93.5Very high90 Ų9053.5 Ų53.539%0.39129%0.288SS..EExtended strand (participates in β ladder)trans-137.9142173.2-168.5178.9178.3-1770110.3Q58 E59 F201 L266 D267 G334Q58-K332 CarbonylContact C-O 3.55Å; Q58-K332 VanDerWaalsContact CA-O 3.3Å; Q58-K332 WeakPolarHBondContact CA-O 3.44Å; E59-K332 PolarHBondContact N-O 3.3Å; E59-K332 PolarHBondContact O-N 2.72Å; F201-K332 HydrophobicContact CB-CD 4.24Å; F201-K332 HydrophobicContact CD1-CB 3.77Å; F201-K332 HydrophobicContact CD1-CD 3.8Å; F201-K332 HydrophobicContact CD1-CG 4.4Å; F201-K332 HydrophobicContact CD2-CB 4.39Å; F201-K332 HydrophobicContact CE1-CB 3.68Å; F201-K332 HydrophobicContact CE1-CD 4.48Å; F201-K332 HydrophobicContact CE2-CB 4.29Å; F201-K332 HydrophobicContact CG-CB 4.14Å; F201-K332 HydrophobicContact CG-CD 4.11Å; F201-K332 HydrophobicContact CZ-CB 3.96Å; L266-K332 HydrophobicContact CB-CB 4.1Å; L266-K332 HydrophobicContact CB-CD 4.49Å; L266-K332 HydrophobicContact CB-CG 4.19Å; D267-K332 WeakPolarHBondContact OD1-CA 3.41Å; K332-G334 PolarHBondContact O-N 3.49Å
333F93.3Very high93.2Very high115 Ų11555.5 Ų55.550%0.50431%0.308SS..EExtended strand (participates in β ladder)trans-50.2128.2178.6175.9-91.8000111.4Y57 D267 I335 T338Y57-F333 AromaticContact CD2-CD2 3.79Å; Y57-F333 HydrophobicContact CD2-CD2 3.79Å; Y57-F333 HydrophobicContact CE2-CD2 4.4Å; D267-F333 PolarHBondContact OD1-N 2.85Å; F333-I335 HydrophobicContact CZ-CD1 4.35Å; F333-T338 HydrophobicContact CE2-CG2 4.44Å
334G93.6Very high92.9Very high6 Ų656.4 Ų56.46%0.06232%0.32CS..  trans-130.9130.817400000110.6Y57 K332 V336 P337 T338Y57-G334 PolarHBondContact O-N 2.83Å; Y57-G334 VanDerWaalsContact O-N 3.07Å; K332-G334 PolarHBondContact O-N 3.49Å; G334-V336 VanDerWaalsContact C-N 3.32Å; G334-V336 PolarHBondContact O-N 2.89Å; G334-P337 WeakPolarHBondContact O-CD 3.42Å; G334-P337 WeakPolarHBondContact O-CG 3.35Å; G334-T338 WeakPolarHBondContact O-CB 3.44Å; G334-T338 PolarHBondContact O-N 2.88Å; G334-T338 PolarHBondContact O-OG1 2.95Å
335I92.5Very high92.4Very high101 Ų10156.1 Ų56.152%0.51832%0.319SS..Hα-helixtrans-66.6-36-178.5-169.658.5000112.1F333 T338 I339F333-I335 HydrophobicContact CZ-CD1 4.35Å; I335-T338 WeakPolarHBondContact O-CB 3.28Å; I335-T338 PolarHBondContact O-N 2.98Å; I335-I339 HydrophobicContact CD1-CD1 4.06Å; I335-I339 HydrophobicContact CD1-CG1 4.19Å; I335-I339 HydrophobicContact CG1-CD1 3.8Å; I335-I339 HydrophobicContact CG1-CG1 4.34Å; I335-I339 WeakPolarHBondContact O-CG1 2.94Å; I335-I339 PolarHBondContact O-N 2.72Å
336V93Very high91.8Very high91 Ų9157.1 Ų57.155%0.55232%0.324SS*.Hα-helixtrans-63.7-57.6-178.8179.50000111.8G334 T338 I339 V340G334-V336 VanDerWaalsContact C-N 3.32Å; G334-V336 PolarHBondContact O-N 2.89Å; V336-T338 PolarHBondContact O-N 3.33Å; V336-I339 PolarHBondContact O-N 2.76Å; V336-V340 HydrophobicContact CG1-CG2 4.45Å; V336-V340 WeakPolarHBondContact O-CG2 3.46Å; V336-V340 PolarHBondContact O-N 2.81Å
337P91.8Very high91.5Very high24 Ų2459.1 Ų59.116%0.15634%0.339CS..Hα-helixtrans-63.3-31177.427.3-37000111.8E59 G334 N341E59-P337 HydrophobicContact CG-CG 3.62Å; G334-P337 WeakPolarHBondContact O-CD 3.42Å; G334-P337 WeakPolarHBondContact O-CG 3.35Å; P337-N341 WeakPolarHBondContact O-CB 3.39Å; P337-N341 VanDerWaalsContact O-CG 3.27Å; P337-N341 PolarHBondContact O-N 3.29Å; P337-N341 PolarHBondContact O-ND2 3.26Å; P337-N341 VanDerWaalsContact O-ND2 3.1Å
338T91.5Very high91.1Very high31 Ų3159.1 Ų59.119%0.1934%0.339CS..Hα-helixtrans-60.5-51.7174.4-58.30000111.6Y57 F333 G334 I335 V336 L342Y57-T338 WeakPolarHBondContact CA-OG1 3.31Å; Y57-T338 WeakPolarHBondContact CB-OG1 3.37Å; Y57-T338 PolarHBondContact O-OG1 3.42Å; Y57-T338 VanDerWaalsContact O-OG1 3.13Å; F333-T338 HydrophobicContact CE2-CG2 4.44Å; G334-T338 WeakPolarHBondContact O-CB 3.44Å; G334-T338 PolarHBondContact O-N 2.88Å; G334-T338 PolarHBondContact O-OG1 2.95Å; I335-T338 WeakPolarHBondContact O-CB 3.28Å; I335-T338 PolarHBondContact O-N 2.98Å; V336-T338 PolarHBondContact O-N 3.33Å; T338-L342 WeakPolarHBondContact O-CB 3.41Å; T338-L342 PolarHBondContact O-N 2.56Å
339I92Very high90.7Very high108 Ų10861.7 Ų61.755%0.55435%0.35SS*.Hα-helixtrans-65.7-44.9-179.2-68.5170.7000110.9I335 V336 L342 G343I335-I339 HydrophobicContact CD1-CD1 4.06Å; I335-I339 HydrophobicContact CD1-CG1 4.19Å; I335-I339 HydrophobicContact CG1-CD1 3.8Å; I335-I339 HydrophobicContact CG1-CG1 4.34Å; I335-I339 WeakPolarHBondContact O-CG1 2.94Å; I335-I339 PolarHBondContact O-N 2.72Å; V336-I339 PolarHBondContact O-N 2.76Å; I339-L342 PolarHBondContact O-N 2.87Å; I339-G343 PolarHBondContact O-N 2.98Å
340V91.3Very high90.5Very high92 Ų9261.8 Ų61.856%0.55835%0.354SS*.Hα-helixtrans-63.4-49.2-178.9173.20000110.7V336 G343 A344V336-V340 HydrophobicContact CG1-CG2 4.45Å; V336-V340 WeakPolarHBondContact O-CG2 3.46Å; V336-V340 PolarHBondContact O-N 2.81Å; V340-G343 PolarHBondContact O-N 3.07Å; V340-A344 WeakPolarHBondContact O-CB 3.31Å; V340-A344 PolarHBondContact O-N 3.39Å
341N88.5Confident90.3Very high63 Ų6365.8 Ų65.834%0.33738%0.375SS..Hα-helixtrans-71.8-33.3-179-68-37.1000112.1A56 P337 A345A56-N341 HydrophobicContact CB-CB 4.14Å; A56-N341 PolarHBondContact O-ND2 3.02Å; P337-N341 WeakPolarHBondContact O-CB 3.39Å; P337-N341 VanDerWaalsContact O-CG 3.27Å; P337-N341 PolarHBondContact O-N 3.29Å; P337-N341 PolarHBondContact O-ND2 3.26Å; P337-N341 VanDerWaalsContact O-ND2 3.1Å; N341-A345 WeakPolarHBondContact O-CB 3.4Å; N341-A345 PolarHBondContact O-N 3.42Å
342L86.4Confident90.2Very high82 Ų8265.8 Ų65.843%0.42937%0.374SS..Hα-helixtrans-67.6-41.6172.4-175.364.8000111.4T338 I339 A345 L346T338-L342 WeakPolarHBondContact O-CB 3.41Å; T338-L342 PolarHBondContact O-N 2.56Å; I339-L342 PolarHBondContact O-N 2.87Å; L342-A345 PolarHBondContact O-N 3.19Å; L342-L346 HydrophobicContact CD1-CD1 4.43Å; L342-L346 HydrophobicContact CD1-CG 4.32Å; L342-L346 HydrophobicContact CG-CD1 4.02Å; L342-L346 HydrophobicContact CG-CG 4.34Å; L342-L346 WeakPolarHBondContact O-CB 3.48Å; L342-L346 VanDerWaalsContact O-CG 3.23Å; L342-L346 WeakPolarHBondContact O-CG 2.87Å; L342-L346 PolarHBondContact O-N 3.28Å
343G89.3Confident90.1Very high42 Ų4264.2 Ų64.243%0.43337%0.373SS..Hα-helixtrans-61.9-47.6175.200000111.9I339 V340 A345 L346 S347I339-G343 PolarHBondContact O-N 2.98Å; V340-G343 PolarHBondContact O-N 3.07Å; G343-A345 VanDerWaalsContact C-N 3.3Å; G343-A345 PolarHBondContact O-N 3.13Å; G343-L346 PolarHBondContact O-N 3.19Å; G343-S347 PolarHBondContact O-N 3.07Å; G343-S347 VanDerWaalsContact O-N 3.1Å
344A89.5Confident90Very high51 Ų5165 Ų6542%0.42138%0.379SS..Hα-helixtrans-59.7-41.5173.100000111.6V340 S347V340-A344 WeakPolarHBondContact O-CB 3.31Å; V340-A344 PolarHBondContact O-N 3.39Å; A344-S347 WeakPolarHBondContact O-CB 3.13Å; A344-S347 PolarHBondContact O-N 3.43Å; A344-S347 PolarHBondContact O-OG 3.19Å
345A85.6Confident90Very high4 Ų467.5 Ų67.53%0.03339%0.394CS..Hα-helixtrans-68.1-40.6178.900000113.3V46 N341 L342 G343 S347 F348V46-A345 HydrophobicContact CB-CB 4.22Å; V46-A345 HydrophobicContact CG1-CB 3.52Å; V46-A345 HydrophobicContact CG2-CB 3.69Å; N341-A345 WeakPolarHBondContact O-CB 3.4Å; N341-A345 PolarHBondContact O-N 3.42Å; L342-A345 PolarHBondContact O-N 3.19Å; G343-A345 VanDerWaalsContact C-N 3.3Å; G343-A345 PolarHBondContact O-N 3.13Å; A345-S347 PolarHBondContact O-N 3.26Å; A345-F348 WeakPolarHBondContact O-CB 3.09Å; A345-F348 WeakPolarHBondContact O-CD2 3.41Å; A345-F348 PolarHBondContact O-N 2.86Å; A345-F348 VanDerWaalsContact O-N 3.16Å
346L84.4Confident89.9Confident95 Ų9563 Ų6350%0.49737%0.371SS..Hα-helixtrans-65.4-26.9175.7-73.4171.2000111.8L342 G343 F348 L349L342-L346 HydrophobicContact CD1-CD1 4.43Å; L342-L346 HydrophobicContact CD1-CG 4.32Å; L342-L346 HydrophobicContact CG-CD1 4.02Å; L342-L346 HydrophobicContact CG-CG 4.34Å; L342-L346 WeakPolarHBondContact O-CB 3.48Å; L342-L346 VanDerWaalsContact O-CG 3.23Å; L342-L346 WeakPolarHBondContact O-CG 2.87Å; L342-L346 PolarHBondContact O-N 3.28Å; G343-L346 PolarHBondContact O-N 3.19Å; L346-F348 PolarHBondContact O-N 3.19Å; L346-L349 HydrophobicContact CD2-CD1 3.71Å; L346-L349 VanDerWaalsContact O-CB 3.27Å; L346-L349 WeakPolarHBondContact O-CB 3.47Å; L346-L349 PolarHBondContact O-N 2.82Å
347S89.3Confident89.8Confident66 Ų6661.1 Ų61.146%0.46236%0.358SS..Hα-helixtrans-59.7-28.2173.683.30000112.7G343 A344 A345 L349 S350G343-S347 PolarHBondContact O-N 3.07Å; G343-S347 VanDerWaalsContact O-N 3.1Å; A344-S347 WeakPolarHBondContact O-CB 3.13Å; A344-S347 PolarHBondContact O-N 3.43Å; A344-S347 PolarHBondContact O-OG 3.19Å; A345-S347 PolarHBondContact O-N 3.26Å; S347-L349 PolarHBondContact O-N 3.31Å; S347-S350 VanDerWaalsContact O-CB 3.25Å; S347-S350 WeakPolarHBondContact O-CB 3.01Å; S347-S350 PolarHBondContact O-N 2.93Å; S347-S350 PolarHBondContact O-OG 3.18Å
348F87.9Confident89.8Confident86 Ų8667.9 Ų67.938%0.37738%0.381SS..G310 helixtrans-64.8-20174.9-69-63.9000113.4V42 Y45 A345 L346 S350 L351V42-F348 HydrophobicContact CG1-CB 3.79Å; Y45-F348 HydrophobicContact CE1-CE2 4.23Å; A345-F348 WeakPolarHBondContact O-CB 3.09Å; A345-F348 WeakPolarHBondContact O-CD2 3.41Å; A345-F348 PolarHBondContact O-N 2.86Å; A345-F348 VanDerWaalsContact O-N 3.16Å; L346-F348 PolarHBondContact O-N 3.19Å; F348-S350 PolarHBondContact O-N 2.82Å; F348-L351 HydrophobicContact CD1-CD1 4.05Å; F348-L351 WeakPolarHBondContact O-CB 3.4Å; F348-L351 PolarHBondContact O-N 2.03Å; F348-L351 VanDerWaalsContact O-N 3.11Å
349L88.9Confident89.8Confident65 Ų6569 Ų6934%0.3438%0.383SS..G310 helixtrans-64.4-21.9173-65.6172.5000112.1Q39 V42 L346 S347 L351 V352 P353Q39-L349 HydrophobicContact CG-CD2 4.25Å; V42-L349 HydrophobicContact CB-CD2 4.41Å; V42-L349 HydrophobicContact CG1-CD2 3.92Å; V42-L349 HydrophobicContact CG1-CG 4.42Å; L346-L349 HydrophobicContact CD2-CD1 3.71Å; L346-L349 VanDerWaalsContact O-CB 3.27Å; L346-L349 WeakPolarHBondContact O-CB 3.47Å; L346-L349 PolarHBondContact O-N 2.82Å; S347-L349 PolarHBondContact O-N 3.31Å; L349-L351 PolarHBondContact O-N 3.39Å; L349-V352 HydrophobicContact CD2-CG2 4.38Å; L349-V352 WeakPolarHBondContact O-CB 3.33Å; L349-V352 PolarHBondContact O-N 2.88Å; L349-V352 VanDerWaalsContact O-N 3.12Å; L349-P353 VanDerWaalsContact O-CD 3.24Å; L349-P353 WeakPolarHBondContact O-CD 3.42Å
350S89.3Confident89.7Confident81 Ų8164.1 Ų64.157%0.56636%0.358SS*.G310 helixtrans-63.8-21.5173.669.40000113.6S347 F348 V352 P353S347-S350 VanDerWaalsContact O-CB 3.25Å; S347-S350 WeakPolarHBondContact O-CB 3.01Å; S347-S350 PolarHBondContact O-N 2.93Å; S347-S350 PolarHBondContact O-OG 3.18Å; F348-S350 PolarHBondContact O-N 2.82Å; S350-V352 VanDerWaalsContact C-N 3.34Å; S350-P353 WeakPolarHBondContact O-CD 3.02Å
351L90.3Very high89.5Confident84 Ų8462.8 Ų62.844%0.4435%0.347SS..Hα-helixtrans-76.4-22.6175.4-63.6173.3000112.4F348 L349 M354 V355F348-L351 HydrophobicContact CD1-CD1 4.05Å; F348-L351 WeakPolarHBondContact O-CB 3.4Å; F348-L351 PolarHBondContact O-N 2.03Å; F348-L351 VanDerWaalsContact O-N 3.11Å; L349-L351 PolarHBondContact O-N 3.39Å; L351-M354 HydrophobicContact CD2-SD 4.45Å; L351-M354 PolarHBondContact O-N 2.59Å; L351-V355 WeakPolarHBondContact O-CG2 3.28Å; L351-V355 PolarHBondContact O-N 2.81Å
352V92.9Very high89.5Confident4 Ų463.2 Ų63.22%0.02435%0.352CS..Hα-helixtrans-62.7-49.9-175.8-179.80000111.3F35 T38 Q39 V42 L349 S350 M354 V355 A356F35-V352 HydrophobicContact CD2-CG1 3.68Å; F35-V352 HydrophobicContact CE2-CG1 3.67Å; F35-V352 HydrophobicContact CG-CG1 4.14Å; F35-V352 HydrophobicContact CZ-CG1 4.11Å; F35-V352 WeakPolarHBondContact O-CG1 3.44Å; T38-V352 HydrophobicContact CG2-CG1 4.47Å; T38-V352 HydrophobicContact CG2-CG2 4.17Å; Q39-V352 HydrophobicContact CB-CG1 4.18Å; Q39-V352 HydrophobicContact CB-CG2 4.45Å; V42-V352 HydrophobicContact CG2-CG2 4.08Å; L349-V352 HydrophobicContact CD2-CG2 4.38Å; L349-V352 WeakPolarHBondContact O-CB 3.33Å; L349-V352 PolarHBondContact O-N 2.88Å; L349-V352 VanDerWaalsContact O-N 3.12Å; S350-V352 VanDerWaalsContact C-N 3.34Å; V352-M354 VanDerWaalsContact C-N 3.35Å; V352-M354 PolarHBondContact O-N 3.11Å; V352-V355 PolarHBondContact O-N 3.35Å; V352-A356 WeakPolarHBondContact O-CB 3.21Å; V352-A356 PolarHBondContact O-N 3.29Å; V352-A356 VanDerWaalsContact O-N 3.08Å
353P91Very high89.5Confident57 Ų5762.8 Ų62.837%0.3736%0.355SS..Hα-helixtrans-58.6-42.1172.7-23.433000113.1F35 L349 S350 V355 A356 D357F35-P353 HydrophobicContact CE2-CG 4.45Å; L349-P353 VanDerWaalsContact O-CD 3.24Å; L349-P353 WeakPolarHBondContact O-CD 3.42Å; S350-P353 WeakPolarHBondContact O-CD 3.02Å; P353-V355 PolarHBondContact O-N 3.08Å; P353-A356 PolarHBondContact O-N 3.13Å; P353-D357 WeakPolarHBondContact O-CB 3.34Å; P353-D357 PolarHBondContact O-N 3.01Å
354M91.5Very high89.4Confident131 Ų13162 Ų6265%0.64534%0.341SS*.Hα-helixtrans-60.1-43.8179.9-76.2-17316600112.5L351 V352 D357 W358L351-M354 HydrophobicContact CD2-SD 4.45Å; L351-M354 PolarHBondContact O-N 2.59Å; V352-M354 VanDerWaalsContact C-N 3.35Å; V352-M354 PolarHBondContact O-N 3.11Å; M354-D357 PolarHBondContact O-N 2.83Å; M354-W358 WeakPolarHBondContact O-CB 3.39Å; M354-W358 PolarHBondContact O-N 3.07Å
355V92.2Very high89.1Confident60 Ų6069.2 Ų69.236%0.36436%0.363SS..Hα-helixtrans-67.5-43177.8173.50000111.1T38 L351 V352 P353 D357 W358 F359T38-V355 HydrophobicContact CG2-CB 4.33Å; T38-V355 HydrophobicContact CG2-CG1 4.36Å; T38-V355 HydrophobicContact CG2-CG2 4.46Å; L351-V355 WeakPolarHBondContact O-CG2 3.28Å; L351-V355 PolarHBondContact O-N 2.81Å; V352-V355 PolarHBondContact O-N 3.35Å; P353-V355 PolarHBondContact O-N 3.08Å; V355-D357 VanDerWaalsContact C-N 3.32Å; V355-D357 PolarHBondContact O-N 3.38Å; V355-W358 PolarHBondContact O-N 2.97Å; V355-F359 WeakPolarHBondContact O-CB 3.47Å; V355-F359 PolarHBondContact O-N 2.81Å
356A91.4Very high89Confident6 Ų675.5 Ų75.55%0.0539%0.389CS..Hα-helixtrans-64.3-38.417700000111.9F35 V352 P353 F359 M360F35-A356 HydrophobicContact CB-CB 4.17Å; F35-A356 HydrophobicContact CD2-CB 3.96Å; V352-A356 WeakPolarHBondContact O-CB 3.21Å; V352-A356 PolarHBondContact O-N 3.29Å; V352-A356 VanDerWaalsContact O-N 3.08Å; P353-A356 PolarHBondContact O-N 3.13Å; A356-F359 PolarHBondContact O-N 3.1Å; A356-M360 WeakPolarHBondContact O-CB 3.5Å; A356-M360 PolarHBondContact O-N 2.99Å
357D90.8Very high88.9Confident51 Ų5177.2 Ų77.227%0.27339%0.389SS..Hα-helixtrans-66.3-46.7176.5-77.6-35.5000112.2P353 M354 V355 F359 M360 L361 K374P353-D357 WeakPolarHBondContact O-CB 3.34Å; P353-D357 PolarHBondContact O-N 3.01Å; M354-D357 PolarHBondContact O-N 2.83Å; V355-D357 VanDerWaalsContact C-N 3.32Å; V355-D357 PolarHBondContact O-N 3.38Å; D357-F359 VanDerWaalsContact C-N 3.33Å; D357-F359 PolarHBondContact O-N 3.25Å; D357-M360 PolarHBondContact O-N 3.09Å; D357-M360 WeakPolarHBondContact OD1-CE 3.34Å; D357-L361 WeakPolarHBondContact O-CB 3.34Å; D357-L361 WeakPolarHBondContact O-CG 3.47Å; D357-L361 PolarHBondContact O-N 3.42Å; D357-K374 IonicContact OD1-NZ 2.78Å; D357-K374 PolarHBondContact OD1-NZ 3.48Å; D357-K374 IonicContact OD2-NZ 2.65Å; D357-K374 PolarHBondContact OD2-NZ 3.05Å
358W91.4Very high88.5Confident166 Ų16679 Ų7963%0.62939%0.393SS*.Hα-helixtrans-59.7-45.3174.7174.876.1000111.4M354 V355 M360 T362M354-W358 WeakPolarHBondContact O-CB 3.39Å; M354-W358 PolarHBondContact O-N 3.07Å; V355-W358 PolarHBondContact O-N 2.97Å; W358-M360 PolarHBondContact O-N 2.82Å; W358-T362 WeakPolarHBondContact O-CB 3.24Å; W358-T362 PolarHBondContact O-N 3.44Å; W358-T362 PolarHBondContact O-OG1 3.43Å
359F91.1Very high88.3Confident55 Ų5579.1 Ų79.124%0.24140%0.397CS..Hα-helixtrans-62.7-42.5176179.3-98.8000112.1V34 V355 A356 D357 C363V34-F359 HydrophobicContact CB-CD1 4.22Å; V34-F359 HydrophobicContact CB-CE1 4.49Å; V34-F359 HydrophobicContact CG1-CB 4.3Å; V34-F359 HydrophobicContact CG1-CD1 4.41Å; V34-F359 HydrophobicContact CG1-CG 4.24Å; V34-F359 HydrophobicContact CG2-CD1 3.78Å; V34-F359 HydrophobicContact CG2-CD2 4.27Å; V34-F359 HydrophobicContact CG2-CE1 3.66Å; V34-F359 HydrophobicContact CG2-CE2 4.16Å; V34-F359 HydrophobicContact CG2-CG 4.09Å; V34-F359 HydrophobicContact CG2-CZ 3.86Å; V355-F359 WeakPolarHBondContact O-CB 3.47Å; V355-F359 PolarHBondContact O-N 2.81Å; A356-F359 PolarHBondContact O-N 3.1Å; D357-F359 VanDerWaalsContact C-N 3.33Å; D357-F359 PolarHBondContact O-N 3.25Å; F359-C363 HydrophobicContact CD2-CB 3.77Å; F359-C363 HydrophobicContact CE2-CB 3.69Å; F359-C363 HydrophobicContact CG-CB 4.36Å; F359-C363 HydrophobicContact CZ-CB 4.23Å; F359-C363 WeakPolarHBondContact O-CA 3.4Å; F359-C363 VanDerWaalsContact O-CB 3.27Å; F359-C363 WeakPolarHBondContact O-CB 3.46Å; F359-C363 PolarHBondContact O-N 2.88Å
360M90.1Very high88Confident6 Ų677.3 Ų77.33%0.0339%0.386CS..Hα-helixtrans-65.7-44.2-179.3175.8-110.9-67.600112.2I26 V31 A356 D357 W358 M364 Y370 K374I26-M360 HydrophobicContact CD1-CE 3.51Å; I26-M360 HydrophobicContact CD1-CG 4.29Å; I26-M360 HydrophobicContact CD1-SD 4.08Å; V31-M360 HydrophobicContact CG1-CB 4.44Å; V31-M360 HydrophobicContact CG2-CB 4.24Å; V31-M360 HydrophobicContact CG2-CG 4.35Å; A356-M360 WeakPolarHBondContact O-CB 3.5Å; A356-M360 PolarHBondContact O-N 2.99Å; D357-M360 PolarHBondContact O-N 3.09Å; D357-M360 WeakPolarHBondContact OD1-CE 3.34Å; W358-M360 PolarHBondContact O-N 2.82Å; M360-M364 HydrophobicContact CB-SD 4.27Å; M360-M364 HydrophobicContact CG-SD 3.9Å; M360-M364 WeakPolarHBondContact O-CB 3.32Å; M360-Y370 HydrophobicContact CG-CD2 3.92Å; M360-Y370 HydrophobicContact CG-CG 4.01Å; M360-Y370 WeakPolarHBondContact SD-CB 3.3Å; M360-Y370 HydrophobicContact SD-CD1 4.48Å; M360-Y370 HydrophobicContact SD-CD2 4.25Å; M360-Y370 HydrophobicContact SD-CG 3.82Å; M360-K374 HydrophobicContact CE-CD 4.48Å
361L87.9Confident87.5Confident64 Ų6475.4 Ų75.434%0.33537%0.373SS..Hα-helixtrans-77.1-27.4-179.3-66.4172.1000113.1D357 R367D357-L361 WeakPolarHBondContact O-CB 3.34Å; D357-L361 WeakPolarHBondContact O-CG 3.47Å; D357-L361 PolarHBondContact O-N 3.42Å; L361-R367 WeakPolarHBondContact O-CB 3.5Å
362T87.2Confident87.1Confident72 Ų7281.2 Ų81.244%0.44239%0.389SS..Hα-helixtrans-97.8-44.5-175-44.70000112.8W358W358-T362 WeakPolarHBondContact O-CB 3.24Å; W358-T362 PolarHBondContact O-N 3.44Å; W358-T362 PolarHBondContact O-OG1 3.43Å
363C86.6Confident86.6Confident73 Ų7386.3 Ų86.349%0.49341%0.413SS..Hα-helixtrans-103-11-164.4-58.80000114.4F359F359-C363 HydrophobicContact CD2-CB 3.77Å; F359-C363 HydrophobicContact CE2-CB 3.69Å; F359-C363 HydrophobicContact CG-CB 4.36Å; F359-C363 HydrophobicContact CZ-CB 4.23Å; F359-C363 WeakPolarHBondContact O-CA 3.4Å; F359-C363 VanDerWaalsContact O-CB 3.27Å; F359-C363 WeakPolarHBondContact O-CB 3.46Å; F359-C363 PolarHBondContact O-N 2.88Å
364M88.2Confident86.1Confident25 Ų2587.8 Ų87.812%0.12341%0.413CS..  trans-87.9140.5-178.3-67.4-166.676.100113.4S28 V31 M360 K366 R367 Y370S28-M364 WeakPolarHBondContact OG-CE 3.32Å; V31-M364 HydrophobicContact CG2-CE 3.89Å; V31-M364 HydrophobicContact CG2-CG 4.29Å; V31-M364 HydrophobicContact CG2-SD 3.09Å; V31-M364 WeakPolarHBondContact CG2-SD 3.28Å; M360-M364 HydrophobicContact CB-SD 4.27Å; M360-M364 HydrophobicContact CG-SD 3.9Å; M360-M364 WeakPolarHBondContact O-CB 3.32Å; M364-K366 PolarHBondContact O-N 3.33Å; M364-R367 WeakPolarHBondContact O-CB 3.37Å; M364-R367 PolarHBondContact O-N 3.48Å; M364-R367 VanDerWaalsContact O-N 3.15Å; M364-Y370 HydrophobicContact CB-CD2 4.37Å; M364-Y370 HydrophobicContact CB-CE2 4.06Å; M364-Y370 HydrophobicContact CE-CE2 3.45Å; M364-Y370 VanDerWaalsContact CE-CE2 3.45Å; M364-Y370 VanDerWaalsContact CE-OH 3.3Å; M364-Y370 WeakPolarHBondContact CE-OH 3.5Å; M364-Y370 HydrophobicContact CG-CE2 4.4Å; M364-Y370 HydrophobicContact SD-CD2 3.97Å; M364-Y370 HydrophobicContact SD-CE2 3.35Å; M364-Y370 WeakPolarHBondContact SD-CE2 3.36Å
365K83.8Confident85.5Confident203 Ų20384 Ų8488%0.88340%0.4SS*.THydrogen-bonded Turntrans-59.7-27.9175.2-68.4-172.4176.2-172.20113.9
366K83.9Confident84.7Confident136 Ų13687.1 Ų87.159%0.59142%0.419SS*.THydrogen-bonded Turntrans-100.127.8179-63.9-174.2178.2-176.90112.9M364 D368 L369 Y370M364-K366 PolarHBondContact O-N 3.33Å; K366-D368 VanDerWaalsContact C-N 3.27Å; K366-D368 PolarHBondContact O-N 3.01Å; K366-L369 WeakPolarHBondContact O-CB 3.34Å; K366-L369 PolarHBondContact O-N 2.95Å; K366-L369 VanDerWaalsContact O-N 3.15Å; K366-Y370 HydrophobicContact CB-CD2 4.39Å; K366-Y370 HydrophobicContact CB-CE2 3.82Å; K366-Y370 WeakPolarHBondContact O-CD2 3.38Å; K366-Y370 PolarHBondContact O-N 2.9Å
367R81.9Confident83.8Confident131 Ų13195.4 Ų95.449%0.49445%0.45SS..Hα-helixtrans-53.4-38.5-176.263.1-179.7-171.8-1710.8114.4L361 M364 L369 Y370 S371L361-R367 WeakPolarHBondContact O-CB 3.5Å; M364-R367 WeakPolarHBondContact O-CB 3.37Å; M364-R367 PolarHBondContact O-N 3.48Å; M364-R367 VanDerWaalsContact O-N 3.15Å; R367-L369 VanDerWaalsContact C-N 3.31Å; R367-L369 PolarHBondContact O-N 3.45Å; R367-Y370 PolarHBondContact O-N 3.37Å; R367-S371 WeakPolarHBondContact O-CB 3.42Å; R367-S371 PolarHBondContact O-N 2.89Å
368D80.3Confident82.8Confident103 Ų103100.9 Ų100.955%0.55148%0.479SS*.Hα-helixtrans-68-33.5-177-54.4-38.2000111.7K366 R372K366-D368 VanDerWaalsContact C-N 3.27Å; K366-D368 PolarHBondContact O-N 3.01Å; D368-R372 VanDerWaalsContact O-CG 3.31Å; D368-R372 WeakPolarHBondContact O-CG 3.31Å; D368-R372 PolarHBondContact O-N 2.85Å
369L82.9Confident81.8Confident88 Ų8899 Ų9946%0.46149%0.486SS..Hα-helixtrans-67.8-44174-179.268000111K366 R367 Q373K366-L369 WeakPolarHBondContact O-CB 3.34Å; K366-L369 PolarHBondContact O-N 2.95Å; K366-L369 VanDerWaalsContact O-N 3.15Å; R367-L369 VanDerWaalsContact C-N 3.31Å; R367-L369 PolarHBondContact O-N 3.45Å; L369-Q373 PolarHBondContact O-N 3.12Å
370Y82.5Confident80.4Confident28 Ų28104.8 Ų104.811%0.1151%0.513CS..Hα-helixtrans-68.7-38.6179.7-60.4-54.6000112.6I26 M360 M364 K366 R367 Q373 K374I26-Y370 HydrophobicContact CD1-CD1 4.16Å; I26-Y370 HydrophobicContact CD1-CE1 4.49Å; I26-Y370 HydrophobicContact CG1-CD1 4.5Å; I26-Y370 HydrophobicContact CG2-CD1 4.32Å; I26-Y370 HydrophobicContact CG2-CE1 3.61Å; M360-Y370 HydrophobicContact CG-CD2 3.92Å; M360-Y370 HydrophobicContact CG-CG 4.01Å; M360-Y370 WeakPolarHBondContact SD-CB 3.3Å; M360-Y370 HydrophobicContact SD-CD1 4.48Å; M360-Y370 HydrophobicContact SD-CD2 4.25Å; M360-Y370 HydrophobicContact SD-CG 3.82Å; M364-Y370 HydrophobicContact CB-CD2 4.37Å; M364-Y370 HydrophobicContact CB-CE2 4.06Å; M364-Y370 HydrophobicContact CE-CE2 3.45Å; M364-Y370 VanDerWaalsContact CE-CE2 3.45Å; M364-Y370 VanDerWaalsContact CE-OH 3.3Å; M364-Y370 WeakPolarHBondContact CE-OH 3.5Å; M364-Y370 HydrophobicContact CG-CE2 4.4Å; M364-Y370 HydrophobicContact SD-CD2 3.97Å; M364-Y370 HydrophobicContact SD-CE2 3.35Å; M364-Y370 WeakPolarHBondContact SD-CE2 3.36Å; K366-Y370 HydrophobicContact CB-CD2 4.39Å; K366-Y370 HydrophobicContact CB-CE2 3.82Å; K366-Y370 WeakPolarHBondContact O-CD2 3.38Å; K366-Y370 PolarHBondContact O-N 2.9Å; R367-Y370 PolarHBondContact O-N 3.37Å; Y370-Q373 PolarHBondContact O-N 2.89Å; Y370-K374 VanDerWaalsContact O-CB 3.26Å; Y370-K374 WeakPolarHBondContact O-CB 3.3Å; Y370-K374 PolarHBondContact O-N 3.01Å
371S79.5Confident78.9Confident41 Ų41113.2 Ų113.229%0.28755%0.553SS.*Hα-helixtrans-61.7-44.5175.8175.60000111.8R367 Q373 K374 S375R367-S371 WeakPolarHBondContact O-CB 3.42Å; R367-S371 PolarHBondContact O-N 2.89Å; S371-Q373 VanDerWaalsContact C-N 3.35Å; S371-Q373 PolarHBondContact O-N 2.91Å; S371-K374 PolarHBondContact O-N 2.84Å; S371-S375 PolarHBondContact O-N 3.2Å
372R81.6Confident77.3Confident205 Ų205115 Ų11577%0.77457%0.571SS**Hα-helixtrans-63.5-36.2177-74.4176.6-178.3-175.10.9113.8D368D368-R372 VanDerWaalsContact O-CG 3.31Å; D368-R372 WeakPolarHBondContact O-CG 3.31Å; D368-R372 PolarHBondContact O-N 2.85Å
373Q82Confident75.6Confident112 Ų112119.9 Ų119.952%0.52359%0.588SS.*Hα-helixtrans-80.2-24.2179.1-74.1-172.4-22.200113.2L24 L369 Y370 S371L24-Q373 HydrophobicContact CD1-CB 4.01Å; L24-Q373 HydrophobicContact CD2-CB 4.48Å; L369-Q373 PolarHBondContact O-N 3.12Å; Y370-Q373 PolarHBondContact O-N 2.89Å; S371-Q373 VanDerWaalsContact C-N 3.35Å; S371-Q373 PolarHBondContact O-N 2.91Å
374K81.3Confident73.9Confident88 Ų88122 Ų12238%0.38360%0.599SS.*Hα-helixtrans-87.3-36.3-179.6-177.1170.4-176.9171.30113.1D357 M360 Y370 S371D357-K374 IonicContact OD1-NZ 2.78Å; D357-K374 PolarHBondContact OD1-NZ 3.48Å; D357-K374 IonicContact OD2-NZ 2.65Å; D357-K374 PolarHBondContact OD2-NZ 3.05Å; M360-K374 HydrophobicContact CE-CD 4.48Å; Y370-K374 VanDerWaalsContact O-CB 3.26Å; Y370-K374 WeakPolarHBondContact O-CB 3.3Å; Y370-K374 PolarHBondContact O-N 3.01Å; S371-K374 PolarHBondContact O-N 2.84Å
375S78.3Confident71.9Confident51 Ų51129.8 Ų129.836%0.35764%0.635SS.*  trans-115.6111-174.8-61.70000110.3S371S371-S375 PolarHBondContact O-N 3.2Å
376T76.1Confident70.1Confident126 Ų126124.9 Ų124.977%0.77363%0.626SS**  trans-91.3113.3166.8-46.80000107.9L378T376-L378 PolarHBondContact O-N 3.4Å
377Y73.2Confident68.4Low179 Ų179122.7 Ų122.770%0.70263%0.633SS**  trans-79.4118.7172.2-60.8-85.7000108.1V379Y377-V379 PolarHBondContact O-N 3.45Å
378L69.8Low66.6Low166 Ų166122.6 Ų122.687%0.86965%0.651SS**  trans-78.6115.2166.2-65.5172.9000106.6T376T376-L378 PolarHBondContact O-N 3.4Å
379V70Confident65.1Low128 Ų128125.2 Ų125.278%0.77666%0.664SS**  trans-82.2118.3169.1-179.60000105.9Y377 E381Y377-V379 PolarHBondContact O-N 3.45Å; V379-E381 PolarHBondContact O-N 3.28Å
380E62.1Low63.1Low176 Ų176129.9 Ų129.982%0.82268%0.681SS**  trans-62.7116.1166.9-76.6-178.3159.800107.6S382E380-S382 VanDerWaalsContact C-N 3.35Å; E380-S382 PolarHBondContact O-N 3.07Å
381E58.1Low60.8Low183 Ų183136.1 Ų136.186%0.85572%0.716SS**SBendtrans-59.995.4175.4-84.8-179153.500109.7V379V379-E381 PolarHBondContact O-N 3.28Å
382S53.5Low59.2Low102 Ų102143.5 Ų143.571%0.71376%0.763SS**SBendtrans-133.61.716554.80000113.8E380E380-S382 VanDerWaalsContact C-N 3.35Å; E380-S382 PolarHBondContact O-N 3.07Å
383E52.5Low58Low173 Ų173140.4 Ų140.481%0.80876%0.763SS**SBendtrans-128.716.6-176.9-67-162.7153.500116
384V51Low56.8Low119 Ų119141.9 Ų141.972%0.72178%0.775SS**SBendtrans-106.2-11.8179.2-171.90000113.9
385E45.3Very low55.4Low187 Ų187144.9 Ų144.987%0.87480%0.797SS**SBendtrans-92.4-4.5-176-108.7-177.3170.400116.2
386S46.5Very low54.1Low101 Ų101150.4 Ų150.471%0.70682%0.823SS**SBendtrans-101.71-174.644.50000115.8
387A47.1Very low52.7Low90 Ų90151.9 Ų151.974%0.74483%0.826SS**SBendtrans-105.4-10.2-177.800000115.9
388C44.8Very low51.3Low128 Ų128150.1 Ų150.187%0.86583%0.834SS**SBendtrans-108.63-179.3-75.40000115.1
389L48.5Very low50Low158 Ų158149 Ų14983%0.82783%0.832SS**SBendtrans-126.666.6174.4-86.9158.3000110.1
390K41.5Very low48.5Very low186 Ų186150.6 Ų150.681%0.80984%0.836SS**  trans-17696.2156.9-104.6163.6-170.1-179.10109.2
391N33.4Very low47.4Very low159 Ų159148.5 Ų148.585%0.8584%0.837SS**  -178.7148.4127.8-87.8-22.7000109.4
392P46Very low46.4Very low196 Ų196145.4 Ų145.4100%1.27384%0.836SS**  -830-117.428.5-37.1000116.7

Retrieved 392 of 392 residues in 117.4 ms (Link to these results)

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