A0A087X5F6_POEFO Loading...

Complement C1q like 3

AlphaFold DB , UniProt , Accession A0A087X5F6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 290 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1P45.9Very low43.2Very low186 Ų186181.8 Ų181.8100%1.20891%0.907SS**  097.3023-1.3000112.2
2A40.3Very low42.6Very low103 Ų103180.2 Ų180.285%0.85190%0.904SS**  trans179.2121.7146.800000108.4
3K41Very low42.4Very low212 Ų212183.9 Ų183.992%0.92290%0.901SS**  trans-78.6142.7-178.4-80172.2171.7175.20111.1
4I47.1Very low42.6Very low165 Ų165180.2 Ų180.285%0.84690%0.897SS**  trans-118.5130.3165.2-58.4174.2000108
5P53.5Low42.7Very low113 Ų113175 Ų17573%0.73489%0.894SS**PPolyproline II helixtrans-88.6164.3-175.735-33.2000113.6
6P50Low42.9Very low129 Ų129174.8 Ų174.884%0.83889%0.894SS**PPolyproline II helixtrans-90.4154.3-168.334.9-33.5000115.2
7K42.7Very low43.2Very low215 Ų215171.4 Ų171.494%0.93589%0.889SS**PPolyproline II helixtrans-67.1138.7179.2-77.4179174178.70113.3
8R40.6Very low43.7Very low253 Ų253175.4 Ų175.496%0.95589%0.891SS**PPolyproline II helixtrans-74.8144.2173.1-89.2-177.6175-167.8-1.3112.7
9R37.5Very low44Very low253 Ų253175.7 Ų175.796%0.95589%0.894SS**PPolyproline II helixtrans-66142.7174-75.2175.6170.6-179.2-4.4112.7
10Q38.6Very low44.4Very low195 Ų195171.9 Ų171.991%0.91189%0.89SS**  trans-107.2140.2162.8-161.1157.9-4.200108.3
11Q37.8Very low44.8Very low176 Ų176166.8 Ų166.882%0.82288%0.88SS**  trans-104.2115.2-160.3-169.5167.41.900110.1
12D35.8Very low45.1Very low162 Ų162168.9 Ų168.987%0.86686%0.864SS**  trans-80135.3173.5-77.8-36000111.5
13R40.5Very low45.4Very low229 Ų229173 Ų17386%0.86486%0.862SS**  trans-121.2135.2162-80-172.4175-171.8-0.4109
14P45Very low45.8Very low132 Ų132165.3 Ų165.386%0.85784%0.844SS**  trans-87152.3-173.433.5-32.9000113.7
15A43.6Very low46.1Very low102 Ų102164.4 Ų164.484%0.84384%0.84SS**  trans-78.6128.8-179.300000113.1
16L46Very low46.2Very low172 Ų172163.8 Ų163.890%0.90183%0.833SS**  trans-144.192.4169.4-112.8160000108.8
17S48.6Very low46.6Very low116 Ų116160.2 Ų160.281%0.81182%0.815SS**  trans-178.367.8161.746.90000112.4
18R51.7Low47.4Very low244 Ų244153 Ų15392%0.92180%0.796SS**  trans-142.468.7164.7-70.6-167-179.3-170.11.2111.3
19L49.9Very low48.6Very low181 Ų181142.7 Ų142.795%0.94877%0.768SS**SBendtrans-152.112.4162.4-132.685.8000115.9
20A52Low50.2Low99 Ų99134.7 Ų134.782%0.81875%0.747SS**SBendtrans-109.71.6-178.700000115.4
21G53.3Low51.8Low65 Ų65131.5 Ų131.567%0.6774%0.735SS**SBendtrans-91.6-7.9-170.500000117.2
22R51.4Low53.7Low231 Ų231124.9 Ų124.987%0.87271%0.714SS**Hα-helixtrans-94.4-16.4-171.7-93.2179163.8178.8-5.7115.6
23K47.4Very low56Low189 Ų189122.5 Ų122.582%0.82270%0.7SS**Hα-helixtrans-88.6-29.2-179.4-67-173.9178.1-176.60113.8
24G49.5Very low57.9Low51 Ų51116.8 Ų116.853%0.52669%0.685SS.*Hα-helixtrans-75.7-31.7-179.600000114.6A27 A28G24-A27 PolarHBondContact O-N 3.34Å; G24-A28 PolarHBondContact O-N 3.45Å
25L53.7Low59.6Low146 Ų146116.3 Ų116.376%0.76467%0.673SS**Hα-helixtrans-72.8-33.1-176.8-150.377.4000112.6G29L25-G29 PolarHBondContact O-N 3.37Å
26V55.5Low61.6Low99 Ų99115.6 Ų115.660%0.666%0.657SS**Hα-helixtrans-72.6-39.1176.9-175.60000110.7G29 V30V26-G29 PolarHBondContact O-N 3.31Å; V26-V30 WeakPolarHBondContact O-CG2 3.34Å; V26-V30 PolarHBondContact O-N 3.38Å; V26-V30 VanDerWaalsContact O-N 3.13Å
27A56.7Low63.6Low54 Ų54112 Ų11245%0.44664%0.639SS.*Hα-helixtrans-65.3-39.7178.500000112.8G24 V30 L31G24-A27 PolarHBondContact O-N 3.34Å; A27-V30 PolarHBondContact O-N 3.37Å; A27-L31 PolarHBondContact O-N 3.48Å; A27-L31 VanDerWaalsContact O-N 3.13Å
28A60.3Low65.5Low65 Ų65110 Ų11054%0.53762%0.622SS.*Hα-helixtrans-66.4-38.4176.600000112.6G24 G32G24-A28 PolarHBondContact O-N 3.45Å; A28-G32 PolarHBondContact O-N 3.24Å
29G66.2Low67.1Low36 Ų36102.3 Ų102.337%0.37160%0.598SS.*Hα-helixtrans-64.9-40.8175.800000112.9L25 V26 G32 I33L25-G29 PolarHBondContact O-N 3.37Å; V26-G29 PolarHBondContact O-N 3.31Å; G29-G32 PolarHBondContact O-N 3.38Å; G29-I33 VanDerWaalsContact O-CG1 3.31Å; G29-I33 WeakPolarHBondContact O-CG1 3.48Å; G29-I33 PolarHBondContact O-N 3.48Å
30V71.6Confident68.9Low85 Ų8598.2 Ų98.252%0.51558%0.581SS.*Hα-helixtrans-67.2-40.7178.4175.40000111.4V26 A27 I33 M34V26-V30 WeakPolarHBondContact O-CG2 3.34Å; V26-V30 PolarHBondContact O-N 3.38Å; V26-V30 VanDerWaalsContact O-N 3.13Å; A27-V30 PolarHBondContact O-N 3.37Å; V30-I33 PolarHBondContact O-N 3.27Å; V30-M34 HydrophobicContact CG1-CG 4.41Å; V30-M34 WeakPolarHBondContact O-CB 3.43Å; V30-M34 VanDerWaalsContact O-CG 3.22Å; V30-M34 WeakPolarHBondContact O-CG 3.19Å; V30-M34 PolarHBondContact O-N 3.25Å
31L72.3Confident70.6Confident128 Ų12898.2 Ų98.267%0.6757%0.57SS**Hα-helixtrans-63.1-41174.5-85.9155000112.4A27 M34 M35A27-L31 PolarHBondContact O-N 3.48Å; A27-L31 VanDerWaalsContact O-N 3.13Å; L31-M34 PolarHBondContact O-N 3.11Å; L31-M35 WeakPolarHBondContact O-CB 3.41Å; L31-M35 PolarHBondContact O-N 3.41Å
32G77.3Confident71.9Confident37 Ų3799.4 Ų99.438%0.38156%0.561SS.*Hα-helixtrans-63.2-45.9175.900000112.7A28 G29 M34 M35 V36A28-G32 PolarHBondContact O-N 3.24Å; G29-G32 PolarHBondContact O-N 3.38Å; G32-M34 PolarHBondContact O-N 3.32Å; G32-M35 PolarHBondContact O-N 2.78Å; G32-V36 WeakPolarHBondContact O-CG2 3.16Å; G32-V36 PolarHBondContact O-N 3.38Å
33I82.8Confident73.2Confident111 Ų11193 Ų9357%0.56954%0.543SS*.Hα-helixtrans-64.2-41.9177.8-67.1166000110.9G29 V30 M35 V36 L37G29-I33 VanDerWaalsContact O-CG1 3.31Å; G29-I33 WeakPolarHBondContact O-CG1 3.48Å; G29-I33 PolarHBondContact O-N 3.48Å; V30-I33 PolarHBondContact O-N 3.27Å; I33-M35 PolarHBondContact O-N 3.11Å; I33-V36 PolarHBondContact O-N 2.78Å; I33-L37 HydrophobicContact CG2-CD1 4Å; I33-L37 HydrophobicContact CG2-CG 4.47Å; I33-L37 WeakPolarHBondContact O-CG 3.29Å; I33-L37 PolarHBondContact O-N 3.45Å
34M80.8Confident74.6Confident109 Ų10987.2 Ų87.254%0.53753%0.525SS..Hα-helixtrans-63-40.3176.1-73.3-64.3-66.200112.1V30 L31 G32 L37 V38V30-M34 HydrophobicContact CG1-CG 4.41Å; V30-M34 WeakPolarHBondContact O-CB 3.43Å; V30-M34 VanDerWaalsContact O-CG 3.22Å; V30-M34 WeakPolarHBondContact O-CG 3.19Å; V30-M34 PolarHBondContact O-N 3.25Å; L31-M34 PolarHBondContact O-N 3.11Å; G32-M34 PolarHBondContact O-N 3.32Å; M34-L37 PolarHBondContact O-N 3.32Å; M34-V38 WeakPolarHBondContact O-CB 3.34Å; M34-V38 WeakPolarHBondContact O-CG2 3.45Å; M34-V38 PolarHBondContact O-N 3.36Å
35M81.8Confident76Confident123 Ų12389.1 Ų89.161%0.60653%0.526SS*.Hα-helixtrans-65.6-39.7177.5-159.7-169.7100.200112.1L31 G32 I33 V38 L39L31-M35 WeakPolarHBondContact O-CB 3.41Å; L31-M35 PolarHBondContact O-N 3.41Å; G32-M35 PolarHBondContact O-N 2.78Å; I33-M35 PolarHBondContact O-N 3.11Å; M35-V38 PolarHBondContact O-N 3.24Å; M35-L39 HydrophobicContact CE-CD1 3.88Å; M35-L39 WeakPolarHBondContact O-CG 3.45Å; M35-L39 PolarHBondContact O-N 2.92Å
36V85.5Confident76.9Confident86 Ų8687 Ų8752%0.52152%0.515SS..Hα-helixtrans-66.2-44176174.30000110.9G32 I33 V38 L39 V40G32-V36 WeakPolarHBondContact O-CG2 3.16Å; G32-V36 PolarHBondContact O-N 3.38Å; I33-V36 PolarHBondContact O-N 2.78Å; V36-V38 VanDerWaalsContact C-N 3.32Å; V36-V38 PolarHBondContact O-N 3.3Å; V36-L39 PolarHBondContact O-N 3.41Å; V36-V40 HydrophobicContact CG1-CG2 4.32Å; V36-V40 VanDerWaalsContact O-CG2 3.28Å; V36-V40 WeakPolarHBondContact O-CG2 3.33Å; V36-V40 PolarHBondContact O-N 3.35Å
37L87.6Confident77.7Confident98 Ų9887.1 Ų87.151%0.51352%0.515SS..Hα-helixtrans-62-40176.2-74170.7000112I33 M34 V40 V41I33-L37 HydrophobicContact CG2-CD1 4Å; I33-L37 HydrophobicContact CG2-CG 4.47Å; I33-L37 WeakPolarHBondContact O-CG 3.29Å; I33-L37 PolarHBondContact O-N 3.45Å; M34-L37 PolarHBondContact O-N 3.32Å; L37-V40 PolarHBondContact O-N 2.59Å; L37-V41 WeakPolarHBondContact O-CG2 3.42Å; L37-V41 PolarHBondContact O-N 3.33Å; L37-V41 VanDerWaalsContact O-N 3.16Å
38V88Confident78.2Confident74 Ų7489.3 Ų89.345%0.44853%0.527SS..Hα-helixtrans-61.6-46.1174.61690000110.8M34 M35 V36 V41 L42M34-V38 WeakPolarHBondContact O-CB 3.34Å; M34-V38 WeakPolarHBondContact O-CG2 3.45Å; M34-V38 PolarHBondContact O-N 3.36Å; M35-V38 PolarHBondContact O-N 3.24Å; V36-V38 VanDerWaalsContact C-N 3.32Å; V36-V38 PolarHBondContact O-N 3.3Å; V38-V41 PolarHBondContact O-N 3.39Å; V38-L42 HydrophobicContact CG1-CD1 3.52Å; V38-L42 WeakPolarHBondContact O-CB 3.15Å; V38-L42 PolarHBondContact O-N 3.49Å
39L85.1Confident78.4Confident81 Ų8190.3 Ų90.342%0.42453%0.531SS..Hα-helixtrans-63.5-42.2178.2-75168.3000112.7M35 V36 V41 L42 I43M35-L39 HydrophobicContact CE-CD1 3.88Å; M35-L39 WeakPolarHBondContact O-CG 3.45Å; M35-L39 PolarHBondContact O-N 2.92Å; V36-L39 PolarHBondContact O-N 3.41Å; L39-V41 PolarHBondContact O-N 2.73Å; L39-L42 PolarHBondContact O-N 3.47Å; L39-I43 HydrophobicContact CB-CD1 4.38Å; L39-I43 WeakPolarHBondContact O-CB 3.48Å; L39-I43 WeakPolarHBondContact O-CD1 3.32Å; L39-I43 VanDerWaalsContact O-CG1 3.23Å; L39-I43 WeakPolarHBondContact O-CG1 3.4Å; L39-I43 PolarHBondContact O-N 2.91Å
40V87.8Confident78Confident96 Ų9692.2 Ų92.258%0.58254%0.542SS*.Hα-helixtrans-64.4-28.1178.9172.90000112V36 L37 P44V36-V40 HydrophobicContact CG1-CG2 4.32Å; V36-V40 VanDerWaalsContact O-CG2 3.28Å; V36-V40 WeakPolarHBondContact O-CG2 3.33Å; V36-V40 PolarHBondContact O-N 3.35Å; L37-V40 PolarHBondContact O-N 2.59Å; V40-P44 WeakPolarHBondContact O-CD 3.22Å; V40-P44 WeakPolarHBondContact O-CG 3.23Å
41V86.9Confident76.9Confident98 Ų9891 Ų9159%0.59455%0.547SS*.Hα-helixtrans-88.6-38.8176.2177.50000112L37 V38 L39 P44 V45L37-V41 WeakPolarHBondContact O-CG2 3.42Å; L37-V41 PolarHBondContact O-N 3.33Å; L37-V41 VanDerWaalsContact O-N 3.16Å; V38-V41 PolarHBondContact O-N 3.39Å; L39-V41 PolarHBondContact O-N 2.73Å; V41-P44 WeakPolarHBondContact O-CD 3.2Å; V41-V45 VanDerWaalsContact O-CG2 3.23Å; V41-V45 WeakPolarHBondContact O-CG2 3.37Å
42L81.9Confident75.6Confident90 Ų9091.1 Ų91.147%0.47155%0.553SS.*Hα-helixtrans-71.3-38.3-177.3-111.3127.5000113.2V38 L39 V45 L46V38-L42 HydrophobicContact CG1-CD1 3.52Å; V38-L42 WeakPolarHBondContact O-CB 3.15Å; V38-L42 PolarHBondContact O-N 3.49Å; L39-L42 PolarHBondContact O-N 3.47Å; L42-V45 PolarHBondContact O-N 2.91Å; L42-L46 HydrophobicContact CD2-CD1 3.85Å; L42-L46 HydrophobicContact CD2-CG 4.41Å; L42-L46 WeakPolarHBondContact O-CB 3.47Å; L42-L46 WeakPolarHBondContact O-CG 3.24Å; L42-L46 PolarHBondContact O-N 2.94Å
43I79.1Confident74.3Confident97 Ų9799.5 Ų99.550%0.49758%0.58SS.*Hα-helixtrans-63.7-49.2-176.3-66.3165.9000111.4L39 V45 L46 V47L39-I43 HydrophobicContact CB-CD1 4.38Å; L39-I43 WeakPolarHBondContact O-CB 3.48Å; L39-I43 WeakPolarHBondContact O-CD1 3.32Å; L39-I43 VanDerWaalsContact O-CG1 3.23Å; L39-I43 WeakPolarHBondContact O-CG1 3.4Å; L39-I43 PolarHBondContact O-N 2.91Å; I43-V45 VanDerWaalsContact C-N 3.31Å; I43-V45 PolarHBondContact O-N 2.88Å; I43-L46 PolarHBondContact O-N 2.86Å; I43-V47 HydrophobicContact CG2-CG2 4.46Å; I43-V47 VanDerWaalsContact O-CG2 3.28Å; I43-V47 WeakPolarHBondContact O-CG2 3.4Å; I43-V47 PolarHBondContact O-N 2.83Å
44P76.6Confident72.5Confident68 Ų6899 Ų9944%0.44258%0.582SS.*Hα-helixtrans-63.8-34.5176.7-22.333.6000113.3V40 V41 V47 S48V40-P44 WeakPolarHBondContact O-CD 3.22Å; V40-P44 WeakPolarHBondContact O-CG 3.23Å; V41-P44 WeakPolarHBondContact O-CD 3.2Å; P44-V47 PolarHBondContact O-N 3.47Å; P44-S48 VanDerWaalsContact O-CB 3.32Å; P44-S48 WeakPolarHBondContact O-CB 3.48Å; P44-S48 PolarHBondContact O-N 3.31Å; P44-S48 PolarHBondContact O-OG 2.62Å
45V79.4Confident70.6Confident91 Ų91101.5 Ų101.555%0.55259%0.592SS**Hα-helixtrans-68-42.1177.4171.90000111V41 L42 I43 S48 S49V41-V45 VanDerWaalsContact O-CG2 3.23Å; V41-V45 WeakPolarHBondContact O-CG2 3.37Å; L42-V45 PolarHBondContact O-N 2.91Å; I43-V45 VanDerWaalsContact C-N 3.31Å; I43-V45 PolarHBondContact O-N 2.88Å; V45-S48 PolarHBondContact O-N 2.87Å; V45-S49 WeakPolarHBondContact O-CB 3.32Å; V45-S49 PolarHBondContact O-N 3.11Å; V45-S49 PolarHBondContact O-OG 3.37Å
46L71.1Confident69Low101 Ų101105.1 Ų105.153%0.52960%0.6SS.*Hα-helixtrans-65.9-38.4174.3-79.5163000112.3L42 I43 S48 S49 A50L42-L46 HydrophobicContact CD2-CD1 3.85Å; L42-L46 HydrophobicContact CD2-CG 4.41Å; L42-L46 WeakPolarHBondContact O-CB 3.47Å; L42-L46 WeakPolarHBondContact O-CG 3.24Å; L42-L46 PolarHBondContact O-N 2.94Å; I43-L46 PolarHBondContact O-N 2.86Å; L46-S48 VanDerWaalsContact C-N 3.33Å; L46-S49 PolarHBondContact O-N 3.11Å; L46-S49 PolarHBondContact O-OG 3.04Å; L46-A50 WeakPolarHBondContact O-CB 3.49Å; L46-A50 PolarHBondContact O-N 3.21Å
47V72.9Confident66.9Low101 Ų101108 Ų10861%0.61261%0.608SS**Hα-helixtrans-69.3-32.9175.5172.40000111.5I43 P44I43-V47 HydrophobicContact CG2-CG2 4.46Å; I43-V47 VanDerWaalsContact O-CG2 3.28Å; I43-V47 WeakPolarHBondContact O-CG2 3.4Å; I43-V47 PolarHBondContact O-N 2.83Å; P44-V47 PolarHBondContact O-N 3.47Å
48S67.9Low64.8Low100 Ų100111.9 Ų111.970%0.69963%0.626SS**Hα-helixtrans-79.5-24.7176.6-55.50000113.2P44 V45 L46P44-S48 VanDerWaalsContact O-CB 3.32Å; P44-S48 WeakPolarHBondContact O-CB 3.48Å; P44-S48 PolarHBondContact O-N 3.31Å; P44-S48 PolarHBondContact O-OG 2.62Å; V45-S48 PolarHBondContact O-N 2.87Å; L46-S48 VanDerWaalsContact C-N 3.33Å
49S63.5Low63Low87 Ų87116.4 Ų116.461%0.60865%0.646SS**Hα-helixtrans-86-21.1174.776.60000113.2V45 L46 G51V45-S49 WeakPolarHBondContact O-CB 3.32Å; V45-S49 PolarHBondContact O-N 3.11Å; V45-S49 PolarHBondContact O-OG 3.37Å; L46-S49 PolarHBondContact O-N 3.11Å; L46-S49 PolarHBondContact O-OG 3.04Å; S49-G51 PolarHBondContact O-N 3.39Å
50A57.7Low61.2Low75 Ų75115.3 Ų115.362%0.6266%0.655SS**SBendtrans-71.380.1164.200000108.8L46L46-A50 WeakPolarHBondContact O-CB 3.49Å; L46-A50 PolarHBondContact O-N 3.21Å
51G48.9Very low59.4Low59 Ų59115.4 Ų115.461%0.60867%0.665SS**  trans-48.1146.5-176.300000114.3S49S49-G51 PolarHBondContact O-N 3.39Å
52T45.3Very low57.6Low131 Ų131117.2 Ų117.280%0.80468%0.681SS**  trans-12.4123.8164.751.60000116.6T54T52-T54 PolarHBondContact O-N 2.88Å
53F49.3Very low55.9Low214 Ų214123.6 Ų123.694%0.93970%0.699SS**  trans-33.6107.5159.9-81.2-99.7000112H55F53-H55 PolarHBondContact O-N 3.24Å; F53-H55 VanDerWaalsContact O-N 3.13Å
54T44.5Very low54.4Low99 Ų99126.8 Ų126.861%0.60771%0.714SS**  trans-66.3107.7160.648.50000108T52 Y56T52-T54 PolarHBondContact O-N 2.88Å; T54-Y56 WeakPolarHBondContact O-CD2 3.29Å; T54-Y56 PolarHBondContact O-N 2.7Å; T54-Y56 VanDerWaalsContact O-N 3.07Å; T54-Y56 WeakPolarHBondContact OG1-CE2 3.38Å
55H42.1Very low52.9Low162 Ų162129.4 Ų129.475%0.7573%0.728SS**  trans-58.4103.5165.8-171.4-87.5000108.4F53 E57F53-H55 PolarHBondContact O-N 3.24Å; F53-H55 VanDerWaalsContact O-N 3.13Å; H55-E57 PolarHBondContact O-N 3Å
56Y47.8Very low51.2Low200 Ų200129.6 Ų129.678%0.78473%0.732SS**  trans-79.1101.1169.2-72.8-85.5000107.7T54 M58T54-Y56 WeakPolarHBondContact O-CD2 3.29Å; T54-Y56 PolarHBondContact O-N 2.7Å; T54-Y56 VanDerWaalsContact O-N 3.07Å; T54-Y56 WeakPolarHBondContact OG1-CE2 3.38Å; Y56-M58 PolarHBondContact O-N 2.7Å
57E41.2Very low49.6Very low145 Ų145131.7 Ų131.768%0.67874%0.744SS**  trans-64.1112.7165.4-80.1-172.6147.200108.8H55 L59H55-E57 PolarHBondContact O-N 3Å; E57-L59 PolarHBondContact O-N 3.36Å
58M44.5Very low48.1Very low181 Ų181132 Ų13289%0.89275%0.748SS**  trans-68.582.8166.7-70-96.6-79.200108.7Y56 G60Y56-M58 PolarHBondContact O-N 2.7Å; M58-G60 PolarHBondContact O-N 2.83Å
59L50.2Low46.5Very low168 Ų168137.6 Ų137.688%0.8876%0.756SS**  trans-77.579.3163.8-75.2170.6000108.8E57E57-L59 PolarHBondContact O-N 3.36Å
60G46.2Very low45Very low58 Ų58138.9 Ų138.960%0.59876%0.764SS**  trans-16185.6174.700000110.6M58 C62M58-G60 PolarHBondContact O-N 2.83Å; G60-C62 PolarHBondContact O-N 3.33Å
61A50.7Low43.9Very low98 Ų98141.1 Ų141.181%0.8177%0.77SS**  trans-73106167.200000108.8R63A61-R63 PolarHBondContact O-N 2.84Å
62C47.8Very low43.2Very low136 Ų136145 Ų14592%0.91978%0.783SS**  trans-63.7105.1163.3-84.20000108.6G60G60-C62 PolarHBondContact O-N 3.33Å
63R46.2Very low43Very low224 Ų224144.4 Ų144.485%0.84578%0.779SS**  trans-88.5119.3165-86.7-168.4173.5-158.9-0.4109A61 V65A61-R63 PolarHBondContact O-N 2.84Å; R63-V65 PolarHBondContact O-N 2.81Å
64M48.7Very low42.6Very low165 Ų165139.7 Ų139.781%0.81377%0.77SS**  trans-62.8111159.9-71.4-74.2-74.200108.1C66M64-C66 VanDerWaalsContact C-N 3.34Å; M64-C66 PolarHBondContact O-N 2.88Å
65V44.7Very low42Very low122 Ų122139.9 Ų139.974%0.73978%0.775SS**  trans-8488.1163.2-177.80000106.1R63R63-V65 PolarHBondContact O-N 2.81Å
66C43.3Very low41.7Very low96 Ų96136.9 Ų136.965%0.64977%0.772SS**  trans-82.5107.4158.8-64.70000106.2M64 P68M64-C66 VanDerWaalsContact C-N 3.34Å; M64-C66 PolarHBondContact O-N 2.88Å; C66-P68 VanDerWaalsContact O-CD 3.23Å; C66-P68 WeakPolarHBondContact O-CD 3.29Å
67D37.9Very low41.1Very low145 Ų145134.1 Ų134.178%0.77578%0.777SS**  trans-63.2118.1165.2-81.7-30000108.5
68P41.6Very low40.7Very low107 Ų107131.2 Ų131.270%0.69579%0.785SS**  trans-79.4124.2164.131.3-25.8000107.6C66 S70C66-P68 VanDerWaalsContact O-CD 3.23Å; C66-P68 WeakPolarHBondContact O-CD 3.29Å; P68-S70 PolarHBondContact O-N 3.26Å
69Y35.6Very low40.2Very low218 Ų218127.2 Ų127.286%0.85578%0.781SS**  trans-49.8113.4171.3-140.4-97.5000109.2T71Y69-T71 PolarHBondContact O-N 3.14Å
70S30.9Very low40.4Very low113 Ų113124.2 Ų124.279%0.7977%0.771SS**  trans-65.9105.5175.2-68.30000108.6P68P68-S70 PolarHBondContact O-N 3.26Å
71T35.3Very low39.7Very low122 Ų122128.8 Ų128.875%0.74878%0.782SS**PPolyproline II helixtrans-100.2118.5156.344.30000107.5Y69 T73Y69-T71 PolarHBondContact O-N 3.14Å; T71-T73 PolarHBondContact O-N 3.15Å
72T34.5Very low38.9Very low142 Ų142128.9 Ų128.987%0.87178%0.783SS**PPolyproline II helixtrans-66.7117.8-173.8-25.30000109.5
73T39.3Very low38.4Very low118 Ų118128.9 Ų128.972%0.72478%0.778SS**PPolyproline II helixtrans-69.3166.1161.4-23.80000109.4T71T71-T73 PolarHBondContact O-N 3.15Å
74P42.5Very low38.1Very low114 Ų114128.4 Ų128.474%0.7478%0.777SS**  -147.9141.295.933.3-14.8000116.8
75S31.8Very low37.4Very low103 Ų103127.4 Ų127.472%0.7278%0.775SS**  trans59.9136.2140.864.40000119.7
76S34.9Very low37.1Very low99 Ų99129.4 Ų129.469%0.69278%0.781SS**  cis-169.9146.444.753.50000114.3
77T35.7Very low36.8Very low143 Ų143130.1 Ų130.188%0.87779%0.787SS**  trans59.8126.1140.449.40000123.2
78G33Very low36.8Very low83 Ų83131 Ų13186%0.85679%0.791SS**  trans126.2121.614100000115.9
79A34.2Very low36.7Very low97 Ų97132.4 Ų132.480%0.80279%0.792SS**  trans-120.7175.5169.200000108.9
80P53.2Low36.8Very low105 Ų105130 Ų13068%0.68279%0.789SS**  cis-130.5-175.9-15.336.7-17.3000114.3
81D32.4Very low37Very low155 Ų155130.4 Ų130.483%0.82979%0.792SS**  trans84.2137.1152.2-65-23.2000123.9
82A33.4Very low37.1Very low100 Ų100132.6 Ų132.683%0.82680%0.798SS**  trans95.6126.5149.100000120.6
83V38.1Very low38.1Very low135 Ų135130.9 Ų130.982%0.81879%0.789SS**  trans-72.1134175.9175.90000111
84R39.8Very low38.1Very low214 Ų214131.1 Ų131.181%0.80879%0.79SS**  165.3143125.2-91.9-167.7-179.5169.6-0113.9
85D34.5Very low38.4Very low144 Ų144135 Ų13577%0.7780%0.796SS**  trans74.7121.2144.7-63-23.3000123.8
86N37.8Very low39.1Very low164 Ų164138.1 Ų138.188%0.87780%0.803SS**  trans-59133.2162.1-98.6-11.4000112.8
87S36.2Very low39.9Very low111 Ų111142 Ų14278%0.77681%0.81SS**  trans-170.7103.4144.318.60000112.9
88L37.9Very low41Very low163 Ų163138.3 Ų138.385%0.85380%0.801SS**  33.7125126.8-67.1175.8000121.8
89L38.8Very low42.6Very low138 Ų138140.8 Ų140.872%0.72380%0.801SS**  trans121.4110.3135.4-71.1158.6000119.5
90Q39Very low44.2Very low168 Ų168147.7 Ų147.779%0.78581%0.807SS**  53.8122.8126.4-76.4174.4-22.400122.2
91S35.4Very low44.8Very low121 Ų121146 Ų14685%0.84681%0.808SS**  157140.597.553.10000114.7
92L36.6Very low46.7Very low168 Ų168147.1 Ų147.188%0.8881%0.808SS**  trans-101.2178.7163.5-90.4146.5000108.4
93P56Low48.6Very low105 Ų105147.9 Ų147.968%0.68281%0.805SS**  cis-135.5-178.35.229.1-3.4000113.9
94T39.7Very low50Low123 Ų123145 Ų14576%0.75580%0.803SS**  172.2142.498.5-57.50000112.9
95F48.1Very low51.7Low196 Ų196146.3 Ų146.386%0.8681%0.808SS**  trans-19.8136.1168.1-74.9-104.6000121.6
96I46.2Very low53.7Low168 Ų168145.4 Ų145.486%0.86281%0.81SS**  trans-145.1127142.7-63.4-166.6000112.1
97Q52.5Low55.2Low181 Ų181141.2 Ų141.285%0.84681%0.805SS**  trans-4.6130.7159.6-160.8163.6-1.400120.5
98G58.4Low56.9Low66 Ų66146 Ų14668%0.6881%0.812SS**PPolyproline II helixtrans-72.6146.8-178.200000115.2
99P66.2Low58.6Low134 Ų134145.1 Ų145.187%0.8781%0.813SS**PPolyproline II helixtrans-73.4144.5-179.428.2-32.7000113
100R67.1Low60.1Low243 Ų243141.2 Ų141.292%0.91781%0.806SS**PPolyproline II helixtrans-61.5136.3176.7-176.7177.6-178.8167.80.2110.7
101G65.7Low61.9Low68 Ų68139.6 Ų139.670%0.70181%0.81SS**PPolyproline II helixtrans-60.2143.8-176.300000114.6
102E73.8Confident63.8Low180 Ų180145.4 Ų145.484%0.84181%0.814SS**PPolyproline II helixtrans-57.7145.4179.7-75-75.7139.400113.2
103P73.6Confident65.4Low115 Ų115140.6 Ų140.675%0.74780%0.804SS**PPolyproline II helixtrans-56.6142.7173.5-22.533.1000112.8
104G67.5Low66.2Low76 Ų76140.6 Ų140.678%0.78481%0.813SS**PPolyproline II helixtrans-60.7140.917900000112.7
105R73.6Confident68Low240 Ų240139.4 Ų139.491%0.90682%0.816SS**PPolyproline II helixtrans-59.8144.7-178.1-65.3-178.4-177.5-177.10.6111.6
106P76.7Confident69Low126 Ų126133.5 Ų133.582%0.81881%0.811SS**PPolyproline II helixtrans-54.5144.5175.6-2533.6000112.8
107G69.7Low70.4Confident75 Ų75134.5 Ų134.577%0.77381%0.811SS**PPolyproline II helixtrans-61.7147.3179.500000112.8
108K71.9Confident71.7Confident211 Ų211131.6 Ų131.692%0.91781%0.809SS**PPolyproline II helixtrans-63.6139-178.8-62.7-176.8-179.3-178.50110.9
109V74.9Confident72.2Confident145 Ų145131.8 Ų131.888%0.87981%0.81SS**PPolyproline II helixtrans-59.2136.3173.7-179.40000109.7
110G70.2Confident72.4Confident57 Ų57134.1 Ų134.159%0.58881%0.809SS**PPolyproline II helixtrans-63152.8-179.100000113
111P75.3Confident73.2Confident133 Ų133128.6 Ų128.686%0.86480%0.804SS**PPolyproline II helixtrans-66140.4-176.926.4-32.6000111.6
112R76Confident73.5Confident244 Ų244128.4 Ų128.492%0.92180%0.803SS**PPolyproline II helixtrans-65.3137.5173.7-173175.2-179.1173.80.2109.6
113G70.5Confident73.8Confident66 Ų66126.1 Ų126.168%0.6880%0.804SS**PPolyproline II helixtrans-57149.2178.900000112.9
114A73.2Confident74.2Confident105 Ų105125.4 Ų125.487%0.86881%0.807SS**PPolyproline II helixtrans-60.7141.8-176.500000112
115A76.8Confident74.4Confident98 Ų98124.9 Ų124.981%0.8180%0.801SS**PPolyproline II helixtrans-67.4142.8173.100000110.2
116G70Confident74.6Confident73 Ų73119.4 Ų119.475%0.75380%0.797SS**PPolyproline II helixtrans-62151.4178.100000112.3
117E74.3Confident74.9Confident188 Ų188119.3 Ų119.388%0.87980%0.797SS**PPolyproline II helixtrans-65139.3-176.3-69.7-160.4151.400112.4
118P79.6Confident75.1Confident121 Ų121119.2 Ų119.279%0.78680%0.796SS**PPolyproline II helixtrans-60.1142.8172.7-2233000112
119G68.9Low75.2Confident69 Ų69117 Ų11771%0.71179%0.794SS**PPolyproline II helixtrans-61.1149176.100000112.8
120H71.8Confident75.4Confident184 Ų184121.9 Ų121.985%0.85280%0.797SS**PPolyproline II helixtrans-59.3139.7-177.8-50.8-92.6000111.7
121P82.8Confident75.5Confident126 Ų126122.2 Ų122.282%0.81880%0.8SS**PPolyproline II helixtrans-58.5143.3174.3-23.933.9000112.4
122G73.4Confident75.5Confident64 Ų64124.7 Ų124.766%0.6680%0.8SS**PPolyproline II helixtrans-64.9159.6175.300000112.9
123P79.1Confident75.8Confident133 Ų133119.1 Ų119.186%0.86480%0.795SS**PPolyproline II helixtrans-62.4145.9-179.826-33.5000111.8
124A82.1Confident75.8Confident100 Ų100119.5 Ų119.583%0.82680%0.799SS**PPolyproline II helixtrans-63.7140.3177.700000111.5
125G72.8Confident75.9Confident64 Ų64124 Ų12466%0.6680%0.799SS**PPolyproline II helixtrans-65.8159.4175.200000112.7
126P76.9Confident76.1Confident125 Ų125125.4 Ų125.481%0.81280%0.8SS**PPolyproline II helixtrans-63.2147.1-179.925.4-33.1000111.8
127P82.3Confident76Confident125 Ų125125.3 Ų125.381%0.81280%0.799SS**PPolyproline II helixtrans-59.3137177-22.733.1000112.3
128G75Confident75.6Confident73 Ų73124.3 Ų124.375%0.75380%0.799SS**PPolyproline II helixtrans-67.4149.5175.100000112.5
129N74.3Confident75.7Confident165 Ų165124.4 Ų124.488%0.88280%0.799SS**PPolyproline II helixtrans-61.6138.4178-69-28.9000111.3G131N129-G131 PolarHBondContact O-N 3.21Å
130R79.4Confident75.5Confident247 Ų247124.1 Ų124.193%0.93280%0.797SS**PPolyproline II helixtrans-62.2124.8177.8-168.5178.3-164.5164.84.4109.7
131G72.1Confident75.4Confident63 Ų63121.2 Ų121.265%0.64979%0.794SS**PPolyproline II helixtrans-61.5151.1174.800000112.1N129N129-G131 PolarHBondContact O-N 3.21Å
132E75.3Confident74.9Confident186 Ų186121.4 Ų121.487%0.86980%0.795SS**PPolyproline II helixtrans-60.6144.5178.5-66.6-161.8155.900111.8G134E132-G134 PolarHBondContact O-N 3.26Å
133P81.9Confident73.9Confident127 Ų127121.4 Ų121.483%0.82580%0.795SS**PPolyproline II helixtrans-57.7131.2174.9-22.733.3000111.6
134G70Confident73Confident73 Ų73121.3 Ų121.375%0.75380%0.795SS**PPolyproline II helixtrans-59.9143.3174.400000111.6E132E132-G134 PolarHBondContact O-N 3.26Å
135K75Confident71.5Confident199 Ų199122.1 Ų122.187%0.86579%0.794SS**PPolyproline II helixtrans-58.7142.8176-66.3-177.9-179.5-179.20110.2G137K135-G137 PolarHBondContact O-N 2.83Å
136P81.3Confident70.3Confident129 Ų129124.1 Ų124.184%0.83880%0.804SS**PPolyproline II helixtrans-54.1137.4174.3-24.633.7000111.5
137G67.6Low68.7Low71 Ų71124.9 Ų124.973%0.73281%0.807SS**PPolyproline II helixtrans-63.1151.8175.600000111.8K135K135-G137 PolarHBondContact O-N 2.83Å
138L67.4Low67Low167 Ų167124 Ų12487%0.87481%0.81SS**PPolyproline II helixtrans-59.8144.6173.4-68.8168.4000110.2G140L138-G140 PolarHBondContact O-N 3.47Å
139P80.5Confident65.3Low122 Ų122124.1 Ų124.179%0.79281%0.811SS**PPolyproline II helixtrans-53133.9173.2-24.733.8000111
140G64.8Low64.1Low64 Ų64121.1 Ų121.166%0.6681%0.809SS**PPolyproline II helixtrans-62.5150.8176.400000111.5L138L138-G140 PolarHBondContact O-N 3.47Å
141P69.8Low62.4Low123 Ų123117.5 Ų117.580%0.79981%0.806SS**PPolyproline II helixtrans-59.3149.6174.525.1-32.7000110.7G143P141-G143 PolarHBondContact O-N 3.42Å
142P73.1Confident61.3Low129 Ų129120.1 Ų120.184%0.83882%0.815SS**PPolyproline II helixtrans-52.7130.1175.3-24.533.4000111.1
143G52Low60.2Low64 Ų64116.3 Ų116.366%0.6682%0.815SS**PPolyproline II helixtrans-63.4146178.700000111.7P141 S145P141-G143 PolarHBondContact O-N 3.42Å; G143-S145 PolarHBondContact O-N 3.23Å
144P59.9Low58.8Low132 Ų132114.1 Ų114.186%0.85781%0.808SS**PPolyproline II helixtrans-66.9128175.425.7-30.8000110.1A146P144-A146 PolarHBondContact O-N 2.77Å
145S50.1Low58.1Low116 Ų116116.6 Ų116.681%0.81181%0.808SS**PPolyproline II helixtrans-53136.7172.9-85.30000111.3G143 V147G143-S145 PolarHBondContact O-N 3.23Å; S145-V147 PolarHBondContact O-N 2.87Å
146A48.6Very low56.7Low106 Ų106118.2 Ų118.288%0.87681%0.811SS**PPolyproline II helixtrans-53.9118.2-176.300000112.8P144P144-A146 PolarHBondContact O-N 2.77Å
147V43.5Very low55.3Low142 Ų142115.4 Ų115.486%0.86179%0.794SS**  trans-122.1122152-150.50000105.9S145S145-V147 PolarHBondContact O-N 2.87Å
148A46.4Very low55.3Low106 Ų106119 Ų11988%0.87680%0.802SS**SBendtrans-59.3139.2-172.100000112.7
149G38.9Very low55.7Low76 Ų76115.4 Ų115.478%0.78479%0.787SS**  trans130.474.1166.800000113.8I151G149-I151 PolarHBondContact O-N 2.93Å
150A48.1Very low55.9Low101 Ų101111.7 Ų111.784%0.83576%0.763SS**  trans-67.2120.4175.900000112.3
151I44.6Very low57.3Low172 Ų172114.7 Ų114.788%0.88276%0.758SS**  trans-151.698.8133.315.2175000108.4G149G149-I151 PolarHBondContact O-N 2.93Å
152S48.7Very low58.6Low118 Ų118109.2 Ų109.283%0.82572%0.721SS**  trans-123.296.8162.3-118.50000108.5
153A51.8Low59.9Low105 Ų105104.5 Ų104.587%0.86869%0.694SS**  trans-117.549.5156.900000107.8T155A153-T155 PolarHBondContact O-N 3.18Å
154A53.7Low62.1Low82 Ų82101.8 Ų101.868%0.67866%0.663SS**  trans-98.176.9-179.200000110.4
155T55.3Low63.9Low125 Ų12599.1 Ų99.177%0.76764%0.637SS**  trans-155.847.8152.1-30.60000112.5A153A153-T155 PolarHBondContact O-N 3.18Å
156Y44.8Very low66.2Low232 Ų23293.6 Ų93.691%0.9160%0.598SS**SBendtrans-143.3107.2159.8-79-76.4000110.6
157S52.4Low68.6Low70 Ų7088.5 Ų88.549%0.4956%0.556SS.*  trans82.196.9173.2-150.50000116.4V159 K161S157-V159 PolarHBondContact O-N 2.94Å; S157-K161 WeakPolarHBondContact OG-CE 3.46Å
158T66.9Low71.1Confident147 Ų14782 Ų8290%0.90252%0.516SS*.SBendtrans-72.86.1163.950.30000112.9
159V76.1Confident73.3Confident91 Ų9180.8 Ų80.855%0.55249%0.492SS*.SBendtrans-96.5121.2179.8-177.30000107.9S157 K161S157-V159 PolarHBondContact O-N 2.94Å; V159-K161 PolarHBondContact O-N 2.92Å
160P85.3Confident75.7Confident44 Ų4483.6 Ų83.629%0.28648%0.482SS..  trans-53.6126.1172.2-25.634.3000111.2I202 V289P160-I202 HydrophobicContact CB-CD1 3.46Å; P160-I202 VanDerWaalsContact CB-CD1 3.46Å; P160-I202 HydrophobicContact CG-CD1 3.71Å; P160-V289 HydrophobicContact CB-CG2 4.21Å; P160-V289 HydrophobicContact CG-CG2 3.81Å
161K93.8Very high77.7Confident128 Ų12883.6 Ų83.656%0.55747%0.465SS*.  trans-110.4108.3174.5-57.6-178.5-178.3174.60108.2S157 V159 L187S157-K161 WeakPolarHBondContact OG-CE 3.46Å; V159-K161 PolarHBondContact O-N 2.92Å; K161-L187 HydrophobicContact CB-CD2 3.44Å; K161-L187 VanDerWaalsContact CB-CD2 3.44Å; K161-L187 HydrophobicContact CB-CG 4.22Å; K161-L187 HydrophobicContact CD-CD2 4.4Å; K161-L187 WeakPolarHBondContact O-CG 3.32Å
162I97.8Very high80Confident7 Ų776.1 Ų76.14%0.03643%0.426CS..  trans-126.3119.9178.9-61.3177.8000107.7H190 F198 I202 Y206 F285 I286I162-H190 HydrophobicContact CG2-CB 4.31Å; I162-F198 HydrophobicContact CG2-CE2 3.61Å; I162-F198 HydrophobicContact CG2-CZ 3.84Å; I162-I202 HydrophobicContact CD1-CB 4.47Å; I162-I202 HydrophobicContact CD1-CD1 3.99Å; I162-I202 HydrophobicContact CD1-CG1 4.35Å; I162-Y206 HydrophobicContact CD1-CE1 4.39Å; I162-Y206 HydrophobicContact CG2-CE1 4.27Å; I162-F285 VanDerWaalsContact O-CA 3.22Å; I162-F285 WeakPolarHBondContact O-CA 3.39Å; I162-F285 WeakPolarHBondContact O-CB 3.22Å; I162-I286 HydrophobicContact CB-CB 4.21Å; I162-I286 HydrophobicContact CB-CG2 3.92Å; I162-I286 PolarHBondContact O-N 3.38Å
163A98.6Very high82.1Confident31 Ų3175.9 Ų75.926%0.25641%0.412SS..EExtended strand (participates in β ladder)trans-157.8140.6175.900000110.5N186 L187 G284 F285A163-N186 CarbonylContact O-C 3.52Å; A163-L187 PolarHBondContact N-O 2.98Å; A163-L187 PolarHBondContact O-N 3.03Å; A163-G284 CarbonylContact C-O 3.5Å; A163-G284 VanDerWaalsContact CA-O 3.32Å; A163-G284 WeakPolarHBondContact CA-O 3.38Å; A163-F285 HydrophobicContact CB-CB 3.8Å
164F98.9Very high84Confident6 Ų672.1 Ų72.13%0.02638%0.383CS..EExtended strand (participates in β ladder)trans-140.8155.3172.677.1-78.1000112T185 Y191 F198 F208 F282 S283 G284F164-T185 CarbonylContact C-O 3.54Å; F164-T185 WeakPolarHBondContact CA-O 3.38Å; F164-T185 WeakPolarHBondContact CB-O 3.37Å; F164-Y191 HydrophobicContact CD2-CD1 4.18Å; F164-Y191 AromaticContact CD2-CD2 3.65Å; F164-Y191 HydrophobicContact CD2-CD2 3.65Å; F164-Y191 HydrophobicContact CD2-CE2 4.37Å; F164-Y191 AromaticContact CD2-CG 3.55Å; F164-Y191 HydrophobicContact CD2-CG 3.55Å; F164-Y191 AromaticContact CE2-CD2 3.55Å; F164-Y191 HydrophobicContact CE2-CD2 3.55Å; F164-Y191 HydrophobicContact CE2-CE2 4.02Å; F164-Y191 AromaticContact CE2-CG 3.98Å; F164-Y191 HydrophobicContact CE2-CG 3.98Å; F164-Y191 HydrophobicContact CG-CD2 4.37Å; F164-Y191 HydrophobicContact CG-CG 4.08Å; F164-Y191 HydrophobicContact CZ-CD2 4.2Å; F164-F198 AromaticContact CD1-CD2 3.65Å; F164-F198 HydrophobicContact CD1-CD2 3.65Å; F164-F198 HydrophobicContact CD1-CE2 4.18Å; F164-F198 HydrophobicContact CE1-CB 4.12Å; F164-F198 AromaticContact CE1-CD2 3.58Å; F164-F198 HydrophobicContact CE1-CD2 3.58Å; F164-F198 HydrophobicContact CE1-CE2 4.31Å; F164-F198 HydrophobicContact CE1-CG 4.07Å; F164-F198 HydrophobicContact CZ-CB 4.29Å; F164-F208 HydrophobicContact CE1-CD1 4.05Å; F164-F208 AromaticContact CE1-CE1 3.85Å; F164-F208 HydrophobicContact CE1-CE1 3.85Å; F164-F208 HydrophobicContact CZ-CD1 4.17Å; F164-F208 HydrophobicContact CZ-CE1 4.3Å; F164-F282 AromaticContact CE2-CD1 3.61Å; F164-F282 HydrophobicContact CE2-CD1 3.61Å; F164-F282 HydrophobicContact CE2-CD2 4.47Å; F164-F282 AromaticContact CE2-CE1 3.77Å; F164-F282 HydrophobicContact CE2-CE1 3.77Å; F164-F282 AromaticContact CE2-CG 3.97Å; F164-F282 HydrophobicContact CE2-CG 3.97Å; F164-F282 HydrophobicContact CE2-CZ 4.27Å; F164-F282 AromaticContact CZ-CD1 3.88Å; F164-F282 HydrophobicContact CZ-CD1 3.88Å; F164-F282 HydrophobicContact CZ-CD2 4.34Å; F164-F282 AromaticContact CZ-CE1 3.57Å; F164-F282 HydrophobicContact CZ-CE1 3.57Å; F164-F282 HydrophobicContact CZ-CE2 4.06Å; F164-F282 HydrophobicContact CZ-CG 4.23Å; F164-F282 AromaticContact CZ-CZ 3.66Å; F164-F282 HydrophobicContact CZ-CZ 3.66Å; F164-S283 VanDerWaalsContact O-CA 3.23Å; F164-S283 WeakPolarHBondContact O-CA 3.45Å; F164-S283 VanDerWaalsContact O-CB 3.23Å; F164-S283 WeakPolarHBondContact O-CB 3.44Å; F164-G284 WeakPolarHBondContact CD1-O 3.48Å; F164-G284 VanDerWaalsContact CE1-N 3.31Å; F164-G284 PolarHBondContact N-O 3.37Å; F164-G284 PolarHBondContact O-N 2.95Å; F164-G284 VanDerWaalsContact O-N 3.11Å
165Y98.8Very high86Confident76 Ų7675.9 Ų75.930%0.29838%0.381SS..EExtended strand (participates in β ladder)trans-149.9126.2170.9169-117.5000108.3V184 T185 T281 F282Y165-V184 HydrophobicContact CD1-CB 3.57Å; Y165-V184 HydrophobicContact CD1-CG1 3.93Å; Y165-V184 HydrophobicContact CD1-CG2 3.88Å; Y165-V184 HydrophobicContact CE1-CB 4.02Å; Y165-V184 HydrophobicContact CE1-CG1 4.31Å; Y165-V184 HydrophobicContact CE1-CG2 3.81Å; Y165-V184 PolarHBondContact O-N 3Å; Y165-T185 PolarHBondContact N-O 2.93Å; Y165-T185 PolarHBondContact O-N 2.67Å; Y165-T185 VanDerWaalsContact O-N 3.11Å; Y165-T281 HydrophobicContact CE2-CG2 3.6Å; Y165-T281 WeakPolarHBondContact OH-CG2 3.48Å; Y165-F282 WeakPolarHBondContact CA-O 2.98Å
166A98.3Very high88Confident0 Ų073.6 Ų73.60%036%0.362CS..EExtended strand (participates in β ladder)trans-139.8145.8-18000000110.8F180 D182 V183 Y191 T281 F282A166-F180 HydrophobicContact CB-CB 3.63Å; A166-F180 WeakPolarHBondContact CB-O 3.48Å; A166-D182 WeakPolarHBondContact CA-O 3.48Å; A166-V183 HydrophobicContact CB-CG2 4.16Å; A166-Y191 HydrophobicContact CB-CD1 4.32Å; A166-Y191 HydrophobicContact CB-CE1 3.79Å; A166-T281 WeakPolarHBondContact O-CA 3.15Å; A166-F282 PolarHBondContact N-O 2.95Å; A166-F282 PolarHBondContact O-N 2.9Å
167G97.2Very high90.5Very high0 Ų064.2 Ų64.20%033%0.329CS..EExtended strand (participates in β ladder)trans-105.8169.7170.300000112.8F180 D181 D182 S280G167-F180 CarbonylContact O-C 3.52Å; G167-F180 VanDerWaalsContact O-CA 3.22Å; G167-F180 WeakPolarHBondContact O-CA 3.36Å; G167-F180 WeakPolarHBondContact O-CB 3.24Å; G167-D181 PolarHBondContact O-N 2.99Å; G167-D182 PolarHBondContact N-O 2.88Å; G167-D182 WeakPolarHBondContact O-CB 3.46Å; G167-D182 PolarHBondContact O-N 2.85Å; G167-S280 CarbonylContact C-O 3.54Å; G167-S280 WeakPolarHBondContact CA-O 3.43Å
168L96Very high92.7Very high4 Ų460.9 Ų60.92%0.02131%0.305CS..  trans-101.1117.9178.8-15870.8000110.7K170 L178 K179 F180 A271 S280L168-K170 WeakPolarHBondContact CG-O 3.23Å; L168-L178 HydrophobicContact CD2-CD2 4.4Å; L168-K179 VanDerWaalsContact CD1-O 3.3Å; L168-K179 WeakPolarHBondContact CD1-O 3.34Å; L168-F180 HydrophobicContact CB-CD1 3.99Å; L168-F180 HydrophobicContact CB-CE1 4.35Å; L168-F180 HydrophobicContact CD1-CD1 4.12Å; L168-F180 HydrophobicContact CD1-CE1 4.5Å; L168-F180 HydrophobicContact CD1-CG 4.24Å; L168-A271 HydrophobicContact CD2-CB 4.03Å; L168-S280 PolarHBondContact N-O 2.82Å
169K93.1Very high94.1Very high81 Ų8158 Ų5835%0.35228%0.28SS..  trans-90-40.4170.8-79.5158167.4150.20112.2D181 D182 G273K169-D181 VanDerWaalsContact CB-OD1 3.3Å; K169-D181 WeakPolarHBondContact CB-OD1 3.3Å; K169-D181 PolarHBondContact N-OD1 3.43Å; K169-D182 HydrophobicContact CD-CB 3.78Å; K169-D182 VanDerWaalsContact CE-OD1 3.29Å; K169-D182 WeakPolarHBondContact CE-OD1 3.39Å; K169-D182 WeakPolarHBondContact CE-OD2 3.34Å; K169-D182 HydrophobicContact CG-CB 3.87Å; K169-D182 IonicContact NZ-OD1 3.72Å; K169-D182 PolarHBondContact NZ-OD1 3.42Å; K169-D182 IonicContact NZ-OD2 2.73Å; K169-G273 CarbonylContact O-C 3.56Å; K169-G273 VanDerWaalsContact O-C 3.22Å
170K90.3Very high95.1Very high135 Ų13553.7 Ų53.759%0.58725%0.254SS*.SBendtrans-91.1143.1-173.3-67173.2-171.6167.20111.2L168 H172 D181 G273L168-K170 WeakPolarHBondContact CG-O 3.23Å; K170-H172 PolarHBondContact O-CD2 3.17Å; K170-H172 VanDerWaalsContact O-CD2 3.28Å; K170-D181 WeakPolarHBondContact CD-OD2 3.3Å; K170-D181 VanDerWaalsContact CE-OD2 3.24Å; K170-D181 WeakPolarHBondContact CE-OD2 3.3Å; K170-D181 WeakPolarHBondContact CG-OD2 3.44Å; K170-D181 IonicContact NZ-OD2 3.64Å; K170-G273 WeakPolarHBondContact O-CA 3.43Å
171Q89.8Confident95.6Very high101 Ų10153.5 Ų53.547%0.47225%0.251SS..  trans-70.9144.7172.3-63.1-178.3-12.300109.7G273Q171-G273 WeakPolarHBondContact CG-O 3.44Å
172H92.5Very high95.8Very high15 Ų1548.3 Ų48.37%0.06923%0.229CC..EExtended strand (participates in β ladder)trans-134.6148.9179.5-78-85.9000109.3K170 E176 L178 L266 K270 A271K170-H172 PolarHBondContact O-CD2 3.17Å; K170-H172 VanDerWaalsContact O-CD2 3.28Å; H172-E176 WeakPolarHBondContact CA-OE1 3.41Å; H172-E176 WeakPolarHBondContact CB-OE1 3.22Å; H172-E176 IonicContact CE1-OE1 2.76Å; H172-E176 IonicContact CG-OE1 3.17Å; H172-E176 VanDerWaalsContact ND1-CD 3.25Å; H172-E176 IonicContact ND1-OE1 3.55Å; H172-E176 PolarHBondContact ND1-OE1 2.79Å; H172-E176 IonicContact ND1-OE2 2.73Å; H172-L178 HydrophobicContact CB-CD2 3.29Å; H172-L266 HydrophobicContact CB-CD1 3.98Å; H172-K270 WeakPolarHBondContact O-CA 3.33Å; H172-A271 HydrophobicContact CB-CB 4.37Å; H172-A271 PolarHBondContact O-N 2.94Å
173E93.3Very high95.8Very high114 Ų11450.6 Ų50.653%0.53324%0.243SC..EExtended strand (participates in β ladder)trans-149.6161-179.264.1179.5-169.200113.2E176 G269 K270E173-E176 PolarHBondContact N-OE1 3.16Å; E173-G269 WeakPolarHBondContact CA-O 3.46Å; E173-K270 HydrophobicContact CB-CB 4.4Å; E173-K270 HydrophobicContact CB-CG 3.84Å; E173-K270 WeakPolarHBondContact OE2-CE 3.49Å; E173-K270 IonicContact OE2-NZ 3.67Å
174G92.3Very high95.7Very high25 Ų2553.1 Ų53.126%0.25826%0.255SS..SBendtrans79.8-123.9176.300000112.6L266 G268 G269G174-L266 VanDerWaalsContact O-CB 3.28Å; G174-L266 WeakPolarHBondContact O-CB 3.28Å; G174-G268 VanDerWaalsContact O-CA 3.28Å; G174-G268 WeakPolarHBondContact O-CA 3.24Å; G174-G268 PolarHBondContact O-N 3.29Å; G174-G269 PolarHBondContact N-O 2.85Å
175Y95.6Very high95.7Very high162 Ų16255.9 Ų55.964%0.63527%0.273SS*.SBendtrans-124.931.9-165.2-62.9-88000113.5K265 L266 D267Y175-K265 WeakPolarHBondContact O-CE 3.09Å; Y175-L266 CarbonylContact C-O 3.22Å; Y175-L266 VanDerWaalsContact CA-O 3.27Å; Y175-L266 WeakPolarHBondContact CA-O 3.42Å; Y175-D267 WeakPolarHBondContact CD1-OD1 3.45Å
176E95.6Very high95.7Very high77 Ų7753.9 Ų53.936%0.3627%0.267SS..PPolyproline II helixtrans-101.5167.4-172.768.9176.6163.600114.2H172 E173 K265 L266H172-E176 WeakPolarHBondContact CA-OE1 3.41Å; H172-E176 WeakPolarHBondContact CB-OE1 3.22Å; H172-E176 IonicContact CE1-OE1 2.76Å; H172-E176 IonicContact CG-OE1 3.17Å; H172-E176 VanDerWaalsContact ND1-CD 3.25Å; H172-E176 IonicContact ND1-OE1 3.55Å; H172-E176 PolarHBondContact ND1-OE1 2.79Å; H172-E176 IonicContact ND1-OE2 2.73Å; E173-E176 PolarHBondContact N-OE1 3.16Å; E176-K265 WeakPolarHBondContact O-CA 3.22Å; E176-L266 PolarHBondContact O-N 3.31Å
177V98.2Very high95.7Very high35 Ų3558.1 Ų58.121%0.21229%0.289CS..BIsolated β-bridgetrans-73.9129.1170.5179.60000109.4K179 S195 Y263V177-K179 PolarHBondContact O-N 3.34Å; V177-S195 WeakPolarHBondContact CG1-O 3.31Å; V177-Y263 HydrophobicContact CB-CD2 4.37Å; V177-Y263 HydrophobicContact CG1-CD2 3.88Å; V177-Y263 HydrophobicContact CG1-CG 4.26Å; V177-Y263 HydrophobicContact CG2-CD2 3.69Å; V177-Y263 HydrophobicContact CG2-CE2 3.76Å
178L97.6Very high95.6Very high0 Ų060.1 Ų60.10%031%0.31CS..PPolyproline II helixtrans-74.6119.5175.6-69.1-177.2000110.6L168 H172 F180 V212 I264 L266 A271L168-L178 HydrophobicContact CD2-CD2 4.4Å; H172-L178 HydrophobicContact CB-CD2 3.29Å; L178-F180 HydrophobicContact CB-CD2 4.27Å; L178-F180 HydrophobicContact CB-CE2 3.62Å; L178-F180 HydrophobicContact CB-CZ 3.99Å; L178-F180 HydrophobicContact CD1-CE2 4.46Å; L178-F180 HydrophobicContact CD1-CZ 4.05Å; L178-F180 WeakPolarHBondContact O-CD2 3.41Å; L178-F180 PolarHBondContact O-N 2.73Å; L178-V212 HydrophobicContact CD1-CB 4.45Å; L178-V212 HydrophobicContact CD1-CG1 3.84Å; L178-V212 HydrophobicContact CD1-CG2 3.68Å; L178-I264 HydrophobicContact CB-CB 4.45Å; L178-I264 HydrophobicContact CD1-CB 4.45Å; L178-I264 HydrophobicContact CD1-CG2 3.9Å; L178-I264 PolarHBondContact N-O 2.92Å; L178-L266 HydrophobicContact CD1-CD2 4.22Å; L178-L266 HydrophobicContact CD1-CG 4.18Å; L178-L266 HydrophobicContact CD2-CD1 3.65Å; L178-L266 HydrophobicContact CD2-CD2 4.38Å; L178-L266 HydrophobicContact CD2-CG 3.65Å; L178-L266 HydrophobicContact CG-CD1 4.47Å; L178-L266 HydrophobicContact CG-CG 3.94Å; L178-A271 HydrophobicContact CD2-CB 4.01Å
179K97.6Very high95.7Very high87 Ų8766.2 Ų66.238%0.37834%0.343SS..  trans-96.987.7-178.9-63.2173.7-176179.30109.4L168 V177 D181 T194L168-K179 VanDerWaalsContact CD1-O 3.3Å; L168-K179 WeakPolarHBondContact CD1-O 3.34Å; V177-K179 PolarHBondContact O-N 3.34Å; K179-D181 VanDerWaalsContact C-N 3.27Å; K179-D181 PolarHBondContact O-N 3.48Å; K179-T194 WeakPolarHBondContact CD-O 2.95Å; K179-T194 WeakPolarHBondContact CE-O 3.45Å
180F97.6Very high95.9Very high0 Ų064.1 Ų64.10%033%0.334CS..  trans-67.487.1175.6-56-98.3000109.6A166 G167 L168 L178 D182 Y191 V212 I264 T281 F282A166-F180 HydrophobicContact CB-CB 3.63Å; A166-F180 WeakPolarHBondContact CB-O 3.48Å; G167-F180 CarbonylContact O-C 3.52Å; G167-F180 VanDerWaalsContact O-CA 3.22Å; G167-F180 WeakPolarHBondContact O-CA 3.36Å; G167-F180 WeakPolarHBondContact O-CB 3.24Å; L168-F180 HydrophobicContact CB-CD1 3.99Å; L168-F180 HydrophobicContact CB-CE1 4.35Å; L168-F180 HydrophobicContact CD1-CD1 4.12Å; L168-F180 HydrophobicContact CD1-CE1 4.5Å; L168-F180 HydrophobicContact CD1-CG 4.24Å; L178-F180 HydrophobicContact CB-CD2 4.27Å; L178-F180 HydrophobicContact CB-CE2 3.62Å; L178-F180 HydrophobicContact CB-CZ 3.99Å; L178-F180 HydrophobicContact CD1-CE2 4.46Å; L178-F180 HydrophobicContact CD1-CZ 4.05Å; L178-F180 WeakPolarHBondContact O-CD2 3.41Å; L178-F180 PolarHBondContact O-N 2.73Å; F180-D182 VanDerWaalsContact C-N 3.32Å; F180-D182 PolarHBondContact O-N 2.81Å; F180-Y191 VanDerWaalsContact CB-OH 3.3Å; F180-Y191 WeakPolarHBondContact CB-OH 3.35Å; F180-Y191 PolarHBondContact N-OH 3.37Å; F180-Y191 WeakPolarHBondContact O-CE1 3.41Å; F180-Y191 PolarHBondContact O-OH 3.41Å; F180-V212 HydrophobicContact CZ-CG2 4.21Å; F180-I264 HydrophobicContact CE2-CB 3.94Å; F180-I264 HydrophobicContact CE2-CG1 3.87Å; F180-I264 HydrophobicContact CZ-CB 4.28Å; F180-I264 HydrophobicContact CZ-CG1 4.15Å; F180-T281 VanDerWaalsContact CE1-C 3.42Å; F180-F282 HydrophobicContact CD1-CB 3.96Å; F180-F282 HydrophobicContact CD2-CB 3.61Å; F180-F282 HydrophobicContact CD2-CD1 4.06Å; F180-F282 HydrophobicContact CD2-CG 4.27Å; F180-F282 HydrophobicContact CE1-CB 3.88Å; F180-F282 HydrophobicContact CE2-CB 3.52Å; F180-F282 HydrophobicContact CE2-CD1 4.12Å; F180-F282 HydrophobicContact CE2-CG 4.1Å; F180-F282 HydrophobicContact CG-CB 3.84Å; F180-F282 HydrophobicContact CZ-CB 3.67Å
181D95.8Very high96.3Very high40 Ų4057.8 Ų57.821%0.21431%0.306CS..  trans-883.3-169.563.5-21000114G167 K169 K170 K179G167-D181 PolarHBondContact O-N 2.99Å; K169-D181 VanDerWaalsContact CB-OD1 3.3Å; K169-D181 WeakPolarHBondContact CB-OD1 3.3Å; K169-D181 PolarHBondContact N-OD1 3.43Å; K170-D181 WeakPolarHBondContact CD-OD2 3.3Å; K170-D181 VanDerWaalsContact CE-OD2 3.24Å; K170-D181 WeakPolarHBondContact CE-OD2 3.3Å; K170-D181 WeakPolarHBondContact CG-OD2 3.44Å; K170-D181 IonicContact NZ-OD2 3.64Å; K179-D181 VanDerWaalsContact C-N 3.27Å; K179-D181 PolarHBondContact O-N 3.48Å
182D96.6Very high96.7Very high18 Ų1855.8 Ų55.810%0.09630%0.299CS..EExtended strand (participates in β ladder)trans-109.969.9177.6-1573.5000111.7A166 G167 K169 F180 V184 K278A166-D182 WeakPolarHBondContact CA-O 3.48Å; G167-D182 PolarHBondContact N-O 2.88Å; G167-D182 WeakPolarHBondContact O-CB 3.46Å; G167-D182 PolarHBondContact O-N 2.85Å; K169-D182 HydrophobicContact CD-CB 3.78Å; K169-D182 VanDerWaalsContact CE-OD1 3.29Å; K169-D182 WeakPolarHBondContact CE-OD1 3.39Å; K169-D182 WeakPolarHBondContact CE-OD2 3.34Å; K169-D182 HydrophobicContact CG-CB 3.87Å; K169-D182 IonicContact NZ-OD1 3.72Å; K169-D182 PolarHBondContact NZ-OD1 3.42Å; K169-D182 IonicContact NZ-OD2 2.73Å; F180-D182 VanDerWaalsContact C-N 3.32Å; F180-D182 PolarHBondContact O-N 2.81Å; D182-V184 PolarHBondContact O-N 2.82Å; D182-K278 HydrophobicContact CB-CD 4.22Å; D182-K278 WeakPolarHBondContact O-CE 3.41Å; D182-K278 IonicContact OD1-NZ 3.33Å; D182-K278 PolarHBondContact OD1-NZ 3.3Å; D182-K278 WeakPolarHBondContact OD2-CE 3.32Å; D182-K278 IonicContact OD2-NZ 2.59Å; D182-K278 PolarHBondContact OD2-NZ 3.49Å
183V97.6Very high97Very high55 Ų5557 Ų5733%0.33331%0.308SS..EExtended strand (participates in β ladder)trans-70.3126-176.2-1770000110.9A166 N186 Y191 P193A166-V183 HydrophobicContact CB-CG2 4.16Å; V183-N186 HydrophobicContact CG1-CB 3.75Å; V183-Y191 HydrophobicContact CG2-CD1 4.21Å; V183-Y191 HydrophobicContact CG2-CE1 4.19Å; V183-P193 HydrophobicContact CG2-CB 3.75Å; V183-P193 HydrophobicContact CG2-CG 3.92Å
184V97.9Very high97.2Very high85 Ų8556.6 Ų56.652%0.51531%0.314SS..EExtended strand (participates in β ladder)trans-105.1-43.3175.5175.80000110.6Y165 D182 K278Y165-V184 HydrophobicContact CD1-CB 3.57Å; Y165-V184 HydrophobicContact CD1-CG1 3.93Å; Y165-V184 HydrophobicContact CD1-CG2 3.88Å; Y165-V184 HydrophobicContact CE1-CB 4.02Å; Y165-V184 HydrophobicContact CE1-CG1 4.31Å; Y165-V184 HydrophobicContact CE1-CG2 3.81Å; Y165-V184 PolarHBondContact O-N 3Å; D182-V184 PolarHBondContact O-N 2.82Å; V184-K278 HydrophobicContact CG2-CD 4.42Å
185T98.6Very high97.5Very high64 Ų6457.1 Ų57.139%0.39331%0.313SS..EExtended strand (participates in β ladder)trans-130.7135.9178.2-55.60000108.8F164 Y165F164-T185 CarbonylContact C-O 3.54Å; F164-T185 WeakPolarHBondContact CA-O 3.38Å; F164-T185 WeakPolarHBondContact CB-O 3.37Å; Y165-T185 PolarHBondContact N-O 2.93Å; Y165-T185 PolarHBondContact O-N 2.67Å; Y165-T185 VanDerWaalsContact O-N 3.11Å
186N98.4Very high97.6Very high34 Ų3449.4 Ų49.418%0.18228%0.283CS..EExtended strand (participates in β ladder)trans-153.162.2173.7-1648.5000111.3A163 V183 G188 N189 H190 Y191A163-N186 CarbonylContact O-C 3.52Å; V183-N186 HydrophobicContact CG1-CB 3.75Å; N186-G188 PolarHBondContact O-N 2.76Å; N186-N189 PolarHBondContact O-N 3.02Å; N186-N189 VanDerWaalsContact O-N 3.11Å; N186-N189 PolarHBondContact O-OD1 2.97Å; N186-N189 WeakPolarHBondContact OD1-CA 3.3Å; N186-H190 PolarHBondContact OD1-N 2.88Å; N186-Y191 PolarHBondContact ND2-O 3.23Å; N186-Y191 PolarHBondContact OD1-N 3.15Å
187L97.9Very high97.8Very high88 Ų8848 Ų4846%0.46128%0.276SS..EExtended strand (participates in β ladder)trans-68.7121.8179.8-171.963.7000110K161 A163 N189K161-L187 HydrophobicContact CB-CD2 3.44Å; K161-L187 VanDerWaalsContact CB-CD2 3.44Å; K161-L187 HydrophobicContact CB-CG 4.22Å; K161-L187 HydrophobicContact CD-CD2 4.4Å; K161-L187 WeakPolarHBondContact O-CG 3.32Å; A163-L187 PolarHBondContact N-O 2.98Å; A163-L187 PolarHBondContact O-N 3.03Å; L187-N189 VanDerWaalsContact C-N 3.32Å
188G95.2Very high97.8Very high42 Ų4246.4 Ų46.443%0.43327%0.266SS..THydrogen-bonded Turntrans87.3-6.7-17400000114.5N186 H190N186-G188 PolarHBondContact O-N 2.76Å; G188-H190 VanDerWaalsContact C-CD2 3.46Å; G188-H190 VanDerWaalsContact C-N 3.26Å; G188-H190 PolarHBondContact O-CD2 2.89Å; G188-H190 PolarHBondContact O-N 3.28Å; G188-H190 PolarHBondContact O-NE2 2.9Å
189N97.6Very high97.9Very high133 Ų13349.1 Ų49.171%0.71128%0.282SS*.SBendtrans55.935.2178.7-57.8-54.1000114.4N186 L187N186-N189 PolarHBondContact O-N 3.02Å; N186-N189 VanDerWaalsContact O-N 3.11Å; N186-N189 PolarHBondContact O-OD1 2.97Å; N186-N189 WeakPolarHBondContact OD1-CA 3.3Å; L187-N189 VanDerWaalsContact C-N 3.32Å
190H98.4Very high97.9Very high36 Ų3645 Ų4517%0.16727%0.265CS..  trans-82.6-18.9179-64.8-76.5000113.2I162 N186 G188 F198 T199 S201I162-H190 HydrophobicContact CG2-CB 4.31Å; N186-H190 PolarHBondContact OD1-N 2.88Å; G188-H190 VanDerWaalsContact C-CD2 3.46Å; G188-H190 VanDerWaalsContact C-N 3.26Å; G188-H190 PolarHBondContact O-CD2 2.89Å; G188-H190 PolarHBondContact O-N 3.28Å; G188-H190 PolarHBondContact O-NE2 2.9Å; H190-F198 HydrophobicContact CB-CD2 3.74Å; H190-F198 HydrophobicContact CB-CE2 3.36Å; H190-F198 HydrophobicContact CB-CZ 3.99Å; H190-F198 CarbonylContact O-C 3.48Å; H190-F198 VanDerWaalsContact O-CA 3.32Å; H190-F198 WeakPolarHBondContact O-CA 3.27Å; H190-T199 PolarHBondContact ND1-O 3.15Å; H190-T199 PolarHBondContact O-N 2.84Å; H190-S201 PolarHBondContact CE1-OG 2.73Å; H190-S201 PolarHBondContact ND1-OG 2.81Å
191Y98.9Very high97.9Very high3 Ų348 Ų481%0.01229%0.286CS..EExtended strand (participates in β ladder)trans-92.2127.6171.9-177.8-102000110.6F164 A166 F180 V183 N186 P193 G196 K197 F198 F282F164-Y191 HydrophobicContact CD2-CD1 4.18Å; F164-Y191 AromaticContact CD2-CD2 3.65Å; F164-Y191 HydrophobicContact CD2-CD2 3.65Å; F164-Y191 HydrophobicContact CD2-CE2 4.37Å; F164-Y191 AromaticContact CD2-CG 3.55Å; F164-Y191 HydrophobicContact CD2-CG 3.55Å; F164-Y191 AromaticContact CE2-CD2 3.55Å; F164-Y191 HydrophobicContact CE2-CD2 3.55Å; F164-Y191 HydrophobicContact CE2-CE2 4.02Å; F164-Y191 AromaticContact CE2-CG 3.98Å; F164-Y191 HydrophobicContact CE2-CG 3.98Å; F164-Y191 HydrophobicContact CG-CD2 4.37Å; F164-Y191 HydrophobicContact CG-CG 4.08Å; F164-Y191 HydrophobicContact CZ-CD2 4.2Å; A166-Y191 HydrophobicContact CB-CD1 4.32Å; A166-Y191 HydrophobicContact CB-CE1 3.79Å; F180-Y191 VanDerWaalsContact CB-OH 3.3Å; F180-Y191 WeakPolarHBondContact CB-OH 3.35Å; F180-Y191 PolarHBondContact N-OH 3.37Å; F180-Y191 WeakPolarHBondContact O-CE1 3.41Å; F180-Y191 PolarHBondContact O-OH 3.41Å; V183-Y191 HydrophobicContact CG2-CD1 4.21Å; V183-Y191 HydrophobicContact CG2-CE1 4.19Å; N186-Y191 PolarHBondContact ND2-O 3.23Å; N186-Y191 PolarHBondContact OD1-N 3.15Å; Y191-P193 HydrophobicContact CE1-CB 4.06Å; Y191-G196 WeakPolarHBondContact CE2-O 3.25Å; Y191-G196 WeakPolarHBondContact OH-CA 3.34Å; Y191-K197 WeakPolarHBondContact CA-O 3.41Å; Y191-F198 HydrophobicContact CD2-CB 4.39Å; Y191-F282 AromaticContact CE2-CD1 3.97Å; Y191-F282 HydrophobicContact CE2-CD1 3.97Å; Y191-F282 HydrophobicContact CE2-CE1 4.19Å
192D98.7Very high98Very high58 Ų5848.1 Ų48.131%0.3129%0.286SS..EExtended strand (participates in β ladder)trans-107.6110.1174169.322.8000110.5T194 S195 G196 K197D192-T194 VanDerWaalsContact CG-OG1 3.24Å; D192-T194 PolarHBondContact O-N 2.99Å; D192-T194 WeakPolarHBondContact OD1-CB 3.18Å; D192-T194 PolarHBondContact OD1-N 3.28Å; D192-T194 PolarHBondContact OD1-OG1 2.78Å; D192-T194 PolarHBondContact OD2-OG1 2.58Å; D192-S195 WeakPolarHBondContact CB-OG 3.48Å; D192-S195 VanDerWaalsContact CG-OG 3.28Å; D192-S195 PolarHBondContact O-N 2.9Å; D192-S195 PolarHBondContact O-OG 2.89Å; D192-S195 VanDerWaalsContact OD2-CB 3.29Å; D192-S195 WeakPolarHBondContact OD2-CB 3.44Å; D192-S195 PolarHBondContact OD2-N 3.1Å; D192-S195 PolarHBondContact OD2-OG 3.04Å; D192-G196 WeakPolarHBondContact O-CA 3.05Å; D192-G196 PolarHBondContact O-N 2.84Å; D192-K197 PolarHBondContact N-O 3.4Å; D192-K197 PolarHBondContact O-N 2.76Å
193P97.9Very high98Very high41 Ų4149.3 Ų49.327%0.26630%0.295SS..THydrogen-bonded Turntrans-68.8-16.2-179.828.4-34.8000113.6V183 Y191V183-P193 HydrophobicContact CG2-CB 3.75Å; V183-P193 HydrophobicContact CG2-CG 3.92Å; Y191-P193 HydrophobicContact CE1-CB 4.06Å
194T97.8Very high98.1Very high106 Ų10646.7 Ų46.765%0.6528%0.279SS*.THydrogen-bonded Turntrans-78.1-33.7179.5720000112K179 D192K179-T194 WeakPolarHBondContact CD-O 2.95Å; K179-T194 WeakPolarHBondContact CE-O 3.45Å; D192-T194 VanDerWaalsContact CG-OG1 3.24Å; D192-T194 PolarHBondContact O-N 2.99Å; D192-T194 WeakPolarHBondContact OD1-CB 3.18Å; D192-T194 PolarHBondContact OD1-N 3.28Å; D192-T194 PolarHBondContact OD1-OG1 2.78Å; D192-T194 PolarHBondContact OD2-OG1 2.58Å
195S98.1Very high98.1Very high36 Ų3644.8 Ų44.825%0.25227%0.265SS..THydrogen-bonded Turntrans-95.8-23.3174.761.20000113.5V177 D192 K197V177-S195 WeakPolarHBondContact CG1-O 3.31Å; D192-S195 WeakPolarHBondContact CB-OG 3.48Å; D192-S195 VanDerWaalsContact CG-OG 3.28Å; D192-S195 PolarHBondContact O-N 2.9Å; D192-S195 PolarHBondContact O-OG 2.89Å; D192-S195 VanDerWaalsContact OD2-CB 3.29Å; D192-S195 WeakPolarHBondContact OD2-CB 3.44Å; D192-S195 PolarHBondContact OD2-N 3.1Å; D192-S195 PolarHBondContact OD2-OG 3.04Å; S195-K197 VanDerWaalsContact C-N 3.34Å; S195-K197 PolarHBondContact OG-N 2.8Å
196G98.4Very high98.1Very high0 Ų041.8 Ų41.80%025%0.247CC..THydrogen-bonded Turntrans8212.1-174.800000113.8Y191 D192Y191-G196 WeakPolarHBondContact CE2-O 3.25Å; Y191-G196 WeakPolarHBondContact OH-CA 3.34Å; D192-G196 WeakPolarHBondContact O-CA 3.05Å; D192-G196 PolarHBondContact O-N 2.84Å
197K98.9Very high98.1Very high47 Ų4742.7 Ų42.720%0.20425%0.249CC..EExtended strand (participates in β ladder)trans-113.5144.1-169.2-53-172.5-177.8179.70112.4Y191 D192 S195 E261 Y263Y191-K197 WeakPolarHBondContact CA-O 3.41Å; D192-K197 PolarHBondContact N-O 3.4Å; D192-K197 PolarHBondContact O-N 2.76Å; S195-K197 VanDerWaalsContact C-N 3.34Å; S195-K197 PolarHBondContact OG-N 2.8Å; K197-E261 HydrophobicContact CD-CB 4.29Å; K197-E261 VanDerWaalsContact CD-CD 3.48Å; K197-E261 HydrophobicContact CD-CG 4.26Å; K197-E261 VanDerWaalsContact CD-OE1 3.25Å; K197-E261 WeakPolarHBondContact CD-OE1 3.41Å; K197-E261 IonicContact NZ-OE1 3.71Å; K197-E261 PolarHBondContact NZ-OE1 2.94Å; K197-E261 IonicContact NZ-OE2 3.41Å; K197-E261 PolarHBondContact NZ-OE2 3.32Å; K197-Y263 HydrophobicContact CD-CD1 4.26Å; K197-Y263 HydrophobicContact CG-CD1 4.21Å; K197-Y263 HydrophobicContact CG-CG 4.24Å
198F98.9Very high98.2Very high1 Ų138.5 Ų38.50%0.00423%0.227CC..EExtended strand (participates in β ladder)trans-92.3130.8160.6172.7-86.3000109I162 F164 H190 Y191 C200 Y206 F208 L256 E261 I262I162-F198 HydrophobicContact CG2-CE2 3.61Å; I162-F198 HydrophobicContact CG2-CZ 3.84Å; F164-F198 AromaticContact CD1-CD2 3.65Å; F164-F198 HydrophobicContact CD1-CD2 3.65Å; F164-F198 HydrophobicContact CD1-CE2 4.18Å; F164-F198 HydrophobicContact CE1-CB 4.12Å; F164-F198 AromaticContact CE1-CD2 3.58Å; F164-F198 HydrophobicContact CE1-CD2 3.58Å; F164-F198 HydrophobicContact CE1-CE2 4.31Å; F164-F198 HydrophobicContact CE1-CG 4.07Å; F164-F198 HydrophobicContact CZ-CB 4.29Å; H190-F198 HydrophobicContact CB-CD2 3.74Å; H190-F198 HydrophobicContact CB-CE2 3.36Å; H190-F198 HydrophobicContact CB-CZ 3.99Å; H190-F198 CarbonylContact O-C 3.48Å; H190-F198 VanDerWaalsContact O-CA 3.32Å; H190-F198 WeakPolarHBondContact O-CA 3.27Å; Y191-F198 HydrophobicContact CD2-CB 4.39Å; F198-C200 HydrophobicContact CE1-CB 4.24Å; F198-Y206 HydrophobicContact CE1-CD1 4.3Å; F198-Y206 HydrophobicContact CE1-CE1 4.2Å; F198-Y206 AromaticContact CZ-CD1 3.98Å; F198-Y206 HydrophobicContact CZ-CD1 3.98Å; F198-Y206 AromaticContact CZ-CE1 3.7Å; F198-Y206 HydrophobicContact CZ-CE1 3.7Å; F198-F208 HydrophobicContact CB-CE1 4.39Å; F198-F208 AromaticContact CD1-CE1 3.94Å; F198-F208 HydrophobicContact CD1-CE1 3.94Å; F198-F208 AromaticContact CD1-CZ 3.86Å; F198-F208 HydrophobicContact CD1-CZ 3.86Å; F198-F208 HydrophobicContact CD2-CE1 4.46Å; F198-F208 HydrophobicContact CE1-CE1 4.34Å; F198-F208 AromaticContact CE1-CZ 3.98Å; F198-F208 HydrophobicContact CE1-CZ 3.98Å; F198-F208 HydrophobicContact CG-CE1 4.01Å; F198-F208 HydrophobicContact CG-CZ 4.4Å; F198-L256 HydrophobicContact CD1-CD1 4.42Å; F198-L256 HydrophobicContact CE1-CD1 3.92Å; F198-E261 CarbonylContact O-C 3.15Å; F198-E261 WeakPolarHBondContact O-CA 3.29Å; F198-I262 HydrophobicContact CB-CB 4.3Å; F198-I262 HydrophobicContact CD1-CB 4.28Å; F198-I262 HydrophobicContact CD1-CG1 4.27Å; F198-I262 PolarHBondContact N-O 2.88Å; F198-I262 PolarHBondContact O-N 2.9Å
199T98.8Very high98.4Very high57 Ų5737.6 Ų37.635%0.3521%0.213SC..EExtended strand (participates in β ladder)trans-113.3118.6175.4-55.20000110.3H190H190-T199 PolarHBondContact ND1-O 3.15Å; H190-T199 PolarHBondContact O-N 2.84Å
200C98.5Very high98.4Very high2 Ų231.2 Ų31.21%0.01418%0.179CC..  trans-65.9137176.3-176.20000110.6F198 I202 L256 E257 G259 D260F198-C200 HydrophobicContact CE1-CB 4.24Å; C200-I202 PolarHBondContact SG-O 3.34Å; C200-L256 HydrophobicContact CB-CB 3.95Å; C200-L256 HydrophobicContact CB-CD1 4.06Å; C200-L256 VanDerWaalsContact SG-CB 3.6Å; C200-E257 VanDerWaalsContact CB-O 3.27Å; C200-E257 WeakPolarHBondContact CB-O 3.35Å; C200-E257 PolarHBondContact SG-O 2.9Å; C200-E257 VanDerWaalsContact SG-O 3.34Å; C200-G259 PolarHBondContact O-N 3.37Å; C200-D260 HydrophobicContact CB-CB 4.2Å; C200-D260 PolarHBondContact N-O 2.89Å
201S97.3Very high98.4Very high62 Ų6233.3 Ų33.343%0.43419%0.189SC..  trans-125-8.3170.970.80000113.4H190H190-S201 PolarHBondContact CE1-OG 2.73Å; H190-S201 PolarHBondContact ND1-OG 2.81Å
202I97Very high98.4Very high42 Ų4233.1 Ų33.122%0.21519%0.188CC..SBendtrans-131.9122.2-176.5-60.4-179.3000107.4P160 I162 C200 Y206 I286 V289P160-I202 HydrophobicContact CB-CD1 3.46Å; P160-I202 VanDerWaalsContact CB-CD1 3.46Å; P160-I202 HydrophobicContact CG-CD1 3.71Å; I162-I202 HydrophobicContact CD1-CB 4.47Å; I162-I202 HydrophobicContact CD1-CD1 3.99Å; I162-I202 HydrophobicContact CD1-CG1 4.35Å; C200-I202 PolarHBondContact SG-O 3.34Å; I202-Y206 WeakPolarHBondContact O-CE2 3.26Å; I202-Y206 PolarHBondContact O-OH 2.84Å; I202-I286 HydrophobicContact CG2-CD1 4.47Å; I202-V289 HydrophobicContact CG2-CG1 3.74Å; I202-V289 HydrophobicContact CG2-CG2 4.29Å
203P98.2Very high98.2Very high43 Ų4331 Ų3128%0.27918%0.176SC..  trans-62.5138.317828.4-33.9000110.5L256 D290P203-L256 VanDerWaalsContact CA-O 3.29Å; P203-L256 WeakPolarHBondContact CA-O 3.32Å; P203-D290 HydrophobicContact CB-CB 4.35Å; P203-D290 HydrophobicContact CG-CB 4.49Å; P203-D290 PolarHBondContact O-N 3.5Å
204G98.1Very high98.1Very high0 Ų029.1 Ų29.10%017%0.165CC..EExtended strand (participates in β ladder)trans165.2-175.3-17600000115.3Y206 H255 L256 Y288 D290G204-Y206 WeakPolarHBondContact O-CD2 3.13Å; G204-H255 WeakPolarHBondContact O-CA 3.38Å; G204-L256 PolarHBondContact N-O 3.13Å; G204-L256 VanDerWaalsContact N-O 3.16Å; G204-L256 PolarHBondContact O-N 3.07Å; G204-Y288 CarbonylContact C-O 3.55Å; G204-Y288 WeakPolarHBondContact CA-O 3.31Å; G204-D290 WeakPolarHBondContact CA-OD1 3.33Å
205I98.6Very high97.5Very high46 Ų4627.4 Ų27.424%0.23615%0.146CC..EExtended strand (participates in β ladder)trans-98.1126.4176.7-54.5-60.3000109.7V253 H255 I287 Y288I205-V253 HydrophobicContact CG2-CG1 3.36Å; I205-H255 HydrophobicContact CD1-CB 3.71Å; I205-I287 HydrophobicContact CG2-CB 4.39Å; I205-I287 HydrophobicContact CG2-CD1 4.04Å; I205-I287 HydrophobicContact CG2-CG1 4.49Å; I205-I287 WeakPolarHBondContact O-CA 3.36Å; I205-I287 WeakPolarHBondContact O-CB 3.38Å; I205-I287 PolarHBondContact O-N 3.33Å; I205-Y288 HydrophobicContact CB-CD2 4.32Å; I205-Y288 PolarHBondContact N-O 3.45Å; I205-Y288 PolarHBondContact O-N 3.23Å
206Y98.8Very high96.5Very high0 Ų026.3 Ų26.30%014%0.14CC..EExtended strand (participates in β ladder)trans-122.7145.6-177.7-67.6-101.7000111.1I162 F198 I202 G204 F208 V253 L254 L256 F285 I286I162-Y206 HydrophobicContact CD1-CE1 4.39Å; I162-Y206 HydrophobicContact CG2-CE1 4.27Å; F198-Y206 HydrophobicContact CE1-CD1 4.3Å; F198-Y206 HydrophobicContact CE1-CE1 4.2Å; F198-Y206 AromaticContact CZ-CD1 3.98Å; F198-Y206 HydrophobicContact CZ-CD1 3.98Å; F198-Y206 AromaticContact CZ-CE1 3.7Å; F198-Y206 HydrophobicContact CZ-CE1 3.7Å; I202-Y206 WeakPolarHBondContact O-CE2 3.26Å; I202-Y206 PolarHBondContact O-OH 2.84Å; G204-Y206 WeakPolarHBondContact O-CD2 3.13Å; Y206-F208 VanDerWaalsContact CB-CE2 3.4Å; Y206-F208 HydrophobicContact CD1-CZ 4.39Å; Y206-F208 HydrophobicContact CG-CE2 4.34Å; Y206-F208 HydrophobicContact CG-CZ 4.3Å; Y206-V253 CarbonylContact O-C 3.47Å; Y206-V253 VanDerWaalsContact O-CA 3.29Å; Y206-V253 WeakPolarHBondContact O-CA 3.47Å; Y206-L254 PolarHBondContact N-O 2.86Å; Y206-L254 PolarHBondContact O-N 3.17Å; Y206-L256 HydrophobicContact CD1-CD1 4.36Å; Y206-L256 HydrophobicContact CD2-CB 3.86Å; Y206-L256 HydrophobicContact CD2-CD1 3.59Å; Y206-L256 HydrophobicContact CD2-CG 3.68Å; Y206-L256 HydrophobicContact CE2-CB 3.94Å; Y206-L256 HydrophobicContact CE2-CD1 4.06Å; Y206-L256 HydrophobicContact CE2-CG 4.23Å; Y206-L256 HydrophobicContact CG-CD1 3.76Å; Y206-L256 HydrophobicContact CG-CG 4.24Å; Y206-F285 WeakPolarHBondContact CA-O 3.18Å; Y206-I286 HydrophobicContact CD1-CB 3.86Å; Y206-I286 HydrophobicContact CD1-CG1 4.2Å; Y206-I286 HydrophobicContact CE1-CB 3.6Å; Y206-I286 HydrophobicContact CE1-CD1 4.07Å; Y206-I286 HydrophobicContact CE1-CG1 3.84Å; Y206-I286 HydrophobicContact CE2-CD1 4.3Å; Y206-I286 HydrophobicContact CE2-CG1 4.27Å
207F98.9Very high95.2Very high53 Ų5328.3 Ų28.323%0.23216%0.161CC..EExtended strand (participates in β ladder)trans-101.2139.9168175.8-101.1000109.9T209 V253 G284 F285 I287F207-T209 HydrophobicContact CE1-CG2 3.64Å; F207-T209 HydrophobicContact CZ-CG2 4.03Å; F207-V253 HydrophobicContact CD2-CG2 4.03Å; F207-G284 CarbonylContact O-C 3.59Å; F207-G284 WeakPolarHBondContact O-CA 3.46Å; F207-F285 HydrophobicContact CB-CE1 4.2Å; F207-F285 HydrophobicContact CB-CE2 4.1Å; F207-F285 HydrophobicContact CB-CZ 3.92Å; F207-F285 HydrophobicContact CD1-CD1 4.1Å; F207-F285 AromaticContact CD1-CE1 3.38Å; F207-F285 HydrophobicContact CD1-CE1 3.38Å; F207-F285 AromaticContact CD1-CZ 3.72Å; F207-F285 HydrophobicContact CD1-CZ 3.72Å; F207-F285 HydrophobicContact CE1-CE1 4.11Å; F207-F285 HydrophobicContact CG-CE1 4.14Å; F207-F285 HydrophobicContact CG-CZ 4.06Å; F207-F285 PolarHBondContact N-O 3.13Å; F207-F285 PolarHBondContact O-N 3.06Å; F207-I287 HydrophobicContact CB-CD1 3.93Å; F207-I287 HydrophobicContact CB-CG1 4.12Å
208F98.9Very high93.8Very high0 Ų029.5 Ų29.50%017%0.17CC..EExtended strand (participates in β ladder)trans-135.4143.9171.3-60.9-84.2000110.5F164 F198 Y206 L226 S251 A252 L254 L256 I262 F282 S283F164-F208 HydrophobicContact CE1-CD1 4.05Å; F164-F208 AromaticContact CE1-CE1 3.85Å; F164-F208 HydrophobicContact CE1-CE1 3.85Å; F164-F208 HydrophobicContact CZ-CD1 4.17Å; F164-F208 HydrophobicContact CZ-CE1 4.3Å; F198-F208 HydrophobicContact CB-CE1 4.39Å; F198-F208 AromaticContact CD1-CE1 3.94Å; F198-F208 HydrophobicContact CD1-CE1 3.94Å; F198-F208 AromaticContact CD1-CZ 3.86Å; F198-F208 HydrophobicContact CD1-CZ 3.86Å; F198-F208 HydrophobicContact CD2-CE1 4.46Å; F198-F208 HydrophobicContact CE1-CE1 4.34Å; F198-F208 AromaticContact CE1-CZ 3.98Å; F198-F208 HydrophobicContact CE1-CZ 3.98Å; F198-F208 HydrophobicContact CG-CE1 4.01Å; F198-F208 HydrophobicContact CG-CZ 4.4Å; Y206-F208 VanDerWaalsContact CB-CE2 3.4Å; Y206-F208 HydrophobicContact CD1-CZ 4.39Å; Y206-F208 HydrophobicContact CG-CE2 4.34Å; Y206-F208 HydrophobicContact CG-CZ 4.3Å; F208-L226 HydrophobicContact CB-CD1 3.58Å; F208-L226 HydrophobicContact CG-CD1 4.36Å; F208-S251 CarbonylContact O-C 3.36Å; F208-S251 WeakPolarHBondContact O-CA 2.93Å; F208-S251 WeakPolarHBondContact O-CB 3.33Å; F208-A252 PolarHBondContact N-O 2.9Å; F208-A252 PolarHBondContact O-N 2.84Å; F208-L254 HydrophobicContact CD2-CD1 4.36Å; F208-L256 HydrophobicContact CE2-CD1 3.88Å; F208-L256 HydrophobicContact CZ-CD1 3.77Å; F208-I262 HydrophobicContact CD1-CG2 3.9Å; F208-I262 HydrophobicContact CD2-CG2 4.14Å; F208-I262 HydrophobicContact CE1-CB 4.05Å; F208-I262 HydrophobicContact CE1-CG1 4.28Å; F208-I262 HydrophobicContact CE1-CG2 3.9Å; F208-I262 HydrophobicContact CE2-CB 4.42Å; F208-I262 HydrophobicContact CE2-CD1 4.46Å; F208-I262 HydrophobicContact CE2-CG1 3.9Å; F208-I262 HydrophobicContact CE2-CG2 4.15Å; F208-I262 HydrophobicContact CG-CG2 4.02Å; F208-I262 HydrophobicContact CZ-CB 4Å; F208-I262 HydrophobicContact CZ-CG1 3.71Å; F208-I262 HydrophobicContact CZ-CG2 4.05Å; F208-F282 HydrophobicContact CB-CE2 4.21Å; F208-F282 HydrophobicContact CD1-CE2 4.08Å; F208-F282 HydrophobicContact CD1-CZ 4.01Å; F208-S283 WeakPolarHBondContact CA-O 3.28Å
209T98.9Very high92.7Very high23 Ų2331.1 Ų31.114%0.14119%0.187CC..EExtended strand (participates in β ladder)trans-145.8144.9170.8-172.40000110.6F207 N250 F282 S283F207-T209 HydrophobicContact CE1-CG2 3.64Å; F207-T209 HydrophobicContact CZ-CG2 4.03Å; T209-N250 WeakPolarHBondContact CA-O 3.34Å; T209-N250 PolarHBondContact OG1-O 2.83Å; T209-F282 WeakPolarHBondContact O-CD2 3.23Å; T209-S283 VanDerWaalsContact CG2-OG 3.24Å; T209-S283 WeakPolarHBondContact CG2-OG 3.2Å; T209-S283 PolarHBondContact N-O 3.44Å; T209-S283 PolarHBondContact O-N 3.01Å
210Y98.9Very high92.1Very high0 Ų031.4 Ų31.40%019%0.189CC..EExtended strand (participates in β ladder)trans-136.4152177.367-89.3000110.7V212 A224 L226 A236 A248 S249 N250 I264 T281Y210-V212 HydrophobicContact CD2-CG2 4.04Å; Y210-A224 HydrophobicContact CD2-CB 4.36Å; Y210-A224 HydrophobicContact CE2-CB 3.8Å; Y210-A224 PolarHBondContact OH-O 3.39Å; Y210-L226 HydrophobicContact CD1-CB 4.14Å; Y210-L226 HydrophobicContact CD1-CD1 4.18Å; Y210-L226 HydrophobicContact CE1-CB 3.72Å; Y210-L226 HydrophobicContact CE1-CD1 4.43Å; Y210-A236 HydrophobicContact CE2-CB 4.21Å; Y210-A236 WeakPolarHBondContact OH-CB 2.8Å; Y210-A236 PolarHBondContact OH-N 2.8Å; Y210-A248 WeakPolarHBondContact CE2-O 3.49Å; Y210-S249 VanDerWaalsContact O-CA 3.29Å; Y210-S249 WeakPolarHBondContact O-CA 3.34Å; Y210-S249 WeakPolarHBondContact O-CB 3.35Å; Y210-N250 HydrophobicContact CE1-CB 3.62Å; Y210-N250 HydrophobicContact CE2-CB 4.42Å; Y210-N250 PolarHBondContact N-O 3.22Å; Y210-N250 VanDerWaalsContact N-O 3.1Å; Y210-N250 PolarHBondContact O-N 3.15Å; Y210-N250 VanDerWaalsContact OH-CB 3.22Å; Y210-N250 WeakPolarHBondContact OH-CB 3.46Å; Y210-I264 HydrophobicContact CD1-CD1 3.44Å; Y210-I264 VanDerWaalsContact CD1-CD1 3.44Å; Y210-I264 HydrophobicContact CD1-CG1 4.44Å; Y210-I264 HydrophobicContact CD2-CD1 4.47Å; Y210-I264 HydrophobicContact CE1-CD1 4.1Å; Y210-I264 HydrophobicContact CG-CD1 3.64Å; Y210-I264 HydrophobicContact CG-CG1 4.16Å; Y210-T281 VanDerWaalsContact CA-O 3.31Å; Y210-T281 WeakPolarHBondContact CA-O 2.97Å
211H98.4Very high91.9Very high79 Ų7932.3 Ų32.337%0.36620%0.195SC..EExtended strand (participates in β ladder)trans-134.9113.5170.9-60-80.8000106.9Y247 S249 S280 T281H211-Y247 HydrophobicContact CB-CD1 3.95Å; H211-Y247 HydrophobicContact CB-CE1 3.94Å; H211-S249 WeakPolarHBondContact CA-OG 3.16Å; H211-S249 VanDerWaalsContact ND1-CB 3.29Å; H211-S249 WeakPolarHBondContact ND1-CB 3.23Å; H211-S249 PolarHBondContact ND1-OG 3.07Å; H211-S280 CarbonylContact O-C 3.52Å; H211-S280 WeakPolarHBondContact O-CA 3.23Å; H211-T281 PolarHBondContact N-O 2.8Å; H211-T281 PolarHBondContact O-N 2.95Å
212V97.6Very high91.8Very high0 Ų029.4 Ų29.40%017%0.174CC..EExtended strand (participates in β ladder)trans-114.2119.3178.2-175.80000108.6L178 F180 Y210 M222 A224 Y247 A248 I264 A271L178-V212 HydrophobicContact CD1-CB 4.45Å; L178-V212 HydrophobicContact CD1-CG1 3.84Å; L178-V212 HydrophobicContact CD1-CG2 3.68Å; F180-V212 HydrophobicContact CZ-CG2 4.21Å; Y210-V212 HydrophobicContact CD2-CG2 4.04Å; V212-M222 HydrophobicContact CB-CE 4Å; V212-M222 HydrophobicContact CG1-CE 3.61Å; V212-M222 HydrophobicContact CG1-SD 3.95Å; V212-M222 WeakPolarHBondContact O-CE 3.49Å; V212-A224 HydrophobicContact CB-CB 4.12Å; V212-A224 HydrophobicContact CG2-CB 3.95Å; V212-Y247 WeakPolarHBondContact O-CA 3.28Å; V212-A248 PolarHBondContact N-O 2.94Å; V212-A248 PolarHBondContact O-N 3.33Å; V212-I264 HydrophobicContact CG2-CG2 4.29Å; V212-A271 HydrophobicContact CG1-CB 3.72Å
213L95.7Very high91.8Very high12 Ų1231.9 Ų31.96%0.06318%0.181CC..EExtended strand (participates in β ladder)trans-78.9120.4176.6179.960.1000109.3Y245 Y247 H272 Y279 S280L213-Y245 HydrophobicContact CD1-CD1 3.9Å; L213-Y245 HydrophobicContact CD1-CG 4.4Å; L213-Y245 HydrophobicContact CD2-CD1 3.88Å; L213-Y245 HydrophobicContact CD2-CE1 4.32Å; L213-Y245 HydrophobicContact CG-CD1 3.88Å; L213-Y247 HydrophobicContact CB-CD1 4.38Å; L213-Y247 HydrophobicContact CB-CE1 3.84Å; L213-Y247 HydrophobicContact CD1-CD2 4.01Å; L213-Y247 HydrophobicContact CD1-CE1 4.47Å; L213-Y247 HydrophobicContact CD1-CE2 3.71Å; L213-H272 HydrophobicContact CB-CB 4.2Å; L213-H272 HydrophobicContact CD2-CB 3.99Å; L213-H272 HydrophobicContact CG-CB 3.94Å; L213-H272 WeakPolarHBondContact O-CB 3.39Å; L213-H272 PolarHBondContact O-N 3.44Å; L213-Y279 HydrophobicContact CD2-CD1 4.23Å; L213-Y279 HydrophobicContact CD2-CG 3.94Å; L213-S280 PolarHBondContact N-OG 3.5Å
214M94.4Very high91.8Very high3 Ų329.9 Ų29.92%0.01517%0.168CC..BIsolated β-bridgetrans-66.8135169.9-176.3176.174.900109.8G216 M222 A238 D240 N244 Y245 D246M214-G216 PolarHBondContact O-N 3.48Å; M214-M222 HydrophobicContact CB-CB 4.17Å; M214-M222 HydrophobicContact CB-CE 3.9Å; M214-M222 HydrophobicContact CB-SD 4.12Å; M214-M222 HydrophobicContact CG-CB 3.73Å; M214-M222 HydrophobicContact CG-SD 4.4Å; M214-M222 HydrophobicContact SD-CB 3.91Å; M214-A238 HydrophobicContact CB-CB 3.74Å; M214-A238 HydrophobicContact CG-CB 4.43Å; M214-A238 HydrophobicContact SD-CB 4.01Å; M214-D240 HydrophobicContact CE-CB 4.15Å; M214-N244 WeakPolarHBondContact CE-O 3.2Å; M214-Y245 WeakPolarHBondContact O-CD1 3.39Å; M214-D246 WeakPolarHBondContact CB-O 3.27Å; M214-D246 HydrophobicContact CE-CB 4.21Å; M214-D246 PolarHBondContact N-O 2.99Å
215R86.3Confident91.9Very high69 Ų6930.3 Ų30.326%0.2617%0.17SC..PPolyproline II helixtrans-75.2117.5174-179.5177.6169.8-170.4-11.8109.8D218 K270 H272R215-D218 IonicContact CZ-OD2 3.72Å; R215-D218 IonicContact NE-OD2 3.78Å; R215-D218 IonicContact NH2-OD2 3.64Å; R215-D218 PolarHBondContact NH2-OD2 2.86Å; R215-K270 HydrophobicContact CB-CB 4.06Å; R215-K270 PolarHBondContact N-O 2.86Å; R215-H272 HydrophobicContact CB-CB 4.19Å
216G76.8Confident91.9Very high13 Ų1328.1 Ų28.113%0.13416%0.159CC..THydrogen-bonded Turntrans-67.9157.6172.200000113.8M214 Q243M214-G216 PolarHBondContact O-N 3.48Å; G216-Q243 CarbonylContact C-O 3.42Å; G216-Q243 WeakPolarHBondContact CA-O 3.46Å
217G71.7Confident91.9Very high43 Ų4328.3 Ų28.344%0.44316%0.16SC..THydrogen-bonded Turntrans81.20.7175.400000116.8Q243G217-Q243 VanDerWaalsContact CA-OE1 3.3Å; G217-Q243 PolarHBondContact N-O 3.01Å; G217-Q243 PolarHBondContact O-OE1 2.96Å
218D69.1Low91.9Very high72 Ų7227.9 Ų27.939%0.38516%0.158SC..SBendtrans-147.862.2-175.7-83.9-39.6000112.1R215 K270R215-D218 IonicContact CZ-OD2 3.72Å; R215-D218 IonicContact NE-OD2 3.78Å; R215-D218 IonicContact NH2-OD2 3.64Å; R215-D218 PolarHBondContact NH2-OD2 2.86Å; D218-K270 HydrophobicContact CB-CD 3.87Å; D218-K270 IonicContact OD2-NZ 3.71Å
219G76.3Confident91.8Very high34 Ų3430.3 Ų30.335%0.35117%0.171SC..  trans123157.1-179.900000112.2
220T86.2Confident91.7Very high64 Ų6436.6 Ų36.639%0.39320%0.204SC..SBendtrans-100.7-10.8-177.656.30000113.1Q239 D240 Q243T220-Q239 VanDerWaalsContact O-CA 3.24Å; T220-Q239 WeakPolarHBondContact O-CA 3.22Å; T220-Q239 WeakPolarHBondContact O-CG 3.29Å; T220-D240 WeakPolarHBondContact CA-O 3.5Å; T220-D240 PolarHBondContact O-N 2.56Å; T220-Q243 HydrophobicContact CG2-CG 4.45Å
221S93Very high91.7Very high21 Ų2142.5 Ų42.515%0.14723%0.232CC..EExtended strand (participates in β ladder)trans-151145.7-172.2-49.70000112W223 A238 Q239 G269S221-W223 VanDerWaalsContact CB-CH2 3.49Å; S221-A238 CarbonylContact C-O 3.55Å; S221-A238 VanDerWaalsContact CA-O 3.29Å; S221-A238 WeakPolarHBondContact CA-O 3.44Å; S221-Q239 PolarHBondContact OG-NE2 3.13Å; S221-G269 WeakPolarHBondContact O-CA 3.36Å
222M95.9Very high91.7Very high0 Ų042.2 Ų42.20%024%0.236CC..EExtended strand (participates in β ladder)trans-142.9139172.7179.1-164.773.500109.4V212 M214 I237 A238 A248 L266 G268 K270 A271V212-M222 HydrophobicContact CB-CE 4Å; V212-M222 HydrophobicContact CG1-CE 3.61Å; V212-M222 HydrophobicContact CG1-SD 3.95Å; V212-M222 WeakPolarHBondContact O-CE 3.49Å; M214-M222 HydrophobicContact CB-CB 4.17Å; M214-M222 HydrophobicContact CB-CE 3.9Å; M214-M222 HydrophobicContact CB-SD 4.12Å; M214-M222 HydrophobicContact CG-CB 3.73Å; M214-M222 HydrophobicContact CG-SD 4.4Å; M214-M222 HydrophobicContact SD-CB 3.91Å; M222-I237 WeakPolarHBondContact O-CA 3.29Å; M222-A238 HydrophobicContact CE-CB 4.24Å; M222-A238 PolarHBondContact N-O 3.04Å; M222-A238 PolarHBondContact O-N 3.19Å; M222-A248 HydrophobicContact CE-CB 3.67Å; M222-L266 HydrophobicContact CG-CD2 3.75Å; M222-L266 HydrophobicContact SD-CD2 3.87Å; M222-G268 WeakPolarHBondContact CA-O 3.29Å; M222-K270 VanDerWaalsContact SD-O 3.34Å; M222-A271 HydrophobicContact SD-CB 4.14Å
223W97.4Very high91.8Very high95 Ų9548 Ų4836%0.3626%0.257SS..EExtended strand (participates in β ladder)trans-113.8137.2173.2-66.9-97.7000110.4S221 A236 I237 L266 D267 G268S221-W223 VanDerWaalsContact CB-CH2 3.49Å; W223-A236 WeakPolarHBondContact CA-O 3.43Å; W223-I237 HydrophobicContact CD2-CD1 4.47Å; W223-I237 HydrophobicContact CD2-CG1 4.25Å; W223-I237 VanDerWaalsContact CE2-CD1 3.46Å; W223-I237 HydrophobicContact CG-CG1 4.39Å; W223-I237 HydrophobicContact CH2-CD1 4.4Å; W223-I237 HydrophobicContact CZ2-CD1 3.42Å; W223-I237 VanDerWaalsContact CZ2-CD1 3.42Å; W223-I237 HydrophobicContact CZ2-CG1 4.07Å; W223-L266 WeakPolarHBondContact O-CA 3.39Å; W223-L266 WeakPolarHBondContact O-CD2 3.4Å; W223-D267 HydrophobicContact CB-CB 3.96Å; W223-D267 PolarHBondContact O-N 3.34Å; W223-G268 PolarHBondContact N-O 3.4Å
224A98.4Very high91.9Very high0 Ų048.1 Ų48.10%026%0.26CS..EExtended strand (participates in β ladder)trans-125124171.200000108.9Y210 V212 A236 A248 I264Y210-A224 HydrophobicContact CD2-CB 4.36Å; Y210-A224 HydrophobicContact CE2-CB 3.8Å; Y210-A224 PolarHBondContact OH-O 3.39Å; V212-A224 HydrophobicContact CB-CB 4.12Å; V212-A224 HydrophobicContact CG2-CB 3.95Å; A224-A236 PolarHBondContact N-O 2.86Å; A224-A236 PolarHBondContact O-N 3.01Å; A224-A248 HydrophobicContact CB-CB 3.88Å; A224-I264 HydrophobicContact CB-CG2 4.07Å
225D98.8Very high92.1Very high10 Ų1050.7 Ų50.75%0.05328%0.278CS..EExtended strand (participates in β ladder)trans-115.4129.4-176.5-71.1-16.7000110.3V232 A234 S235 I264 K265D225-V232 HydrophobicContact CB-CG1 4.01Å; D225-V232 HydrophobicContact CB-CG2 4.12Å; D225-A234 CarbonylContact C-O 3.58Å; D225-A234 WeakPolarHBondContact CA-O 3.19Å; D225-S235 WeakPolarHBondContact OD1-CA 3.46Å; D225-S235 WeakPolarHBondContact OD1-CB 3.48Å; D225-S235 PolarHBondContact OD1-OG 2.99Å; D225-I264 CarbonylContact O-C 3.59Å; D225-I264 VanDerWaalsContact O-CA 3.26Å; D225-I264 WeakPolarHBondContact O-CA 3.4Å; D225-K265 PolarHBondContact N-O 3.05Å; D225-K265 PolarHBondContact O-N 3.35Å
226L98.9Very high92.7Very high0 Ų048.1 Ų48.10%027%0.271CS..EExtended strand (participates in β ladder)trans-82.2116.5165.2-175.4149.8000108.7F208 Y210 R233 A234 A252 L254 I262 I264 F282F208-L226 HydrophobicContact CB-CD1 3.58Å; F208-L226 HydrophobicContact CG-CD1 4.36Å; Y210-L226 HydrophobicContact CD1-CB 4.14Å; Y210-L226 HydrophobicContact CD1-CD1 4.18Å; Y210-L226 HydrophobicContact CE1-CB 3.72Å; Y210-L226 HydrophobicContact CE1-CD1 4.43Å; L226-R233 HydrophobicContact CD2-CB 3.87Å; L226-R233 HydrophobicContact CD2-CG 4.32Å; L226-R233 PolarHBondContact O-N 3.19Å; L226-A234 HydrophobicContact CB-CB 4.29Å; L226-A234 PolarHBondContact N-O 3.27Å; L226-A234 PolarHBondContact O-N 2.88Å; L226-A252 HydrophobicContact CD2-CB 4.47Å; L226-L254 HydrophobicContact CD2-CD1 3.73Å; L226-I262 HydrophobicContact CD1-CG2 4.41Å; L226-I262 HydrophobicContact CD2-CG2 4.13Å; L226-I262 HydrophobicContact CG-CG2 4.19Å; L226-I264 HydrophobicContact CB-CD1 3.84Å; L226-I264 HydrophobicContact CD1-CD1 4.12Å; L226-I264 HydrophobicContact CG-CD1 4.04Å; L226-F282 HydrophobicContact CD1-CE2 4.35Å
227C98.9Very high93.7Very high4 Ų451.1 Ų51.13%0.02728%0.284CS..EExtended strand (participates in β ladder)trans-105.2139.2-178.3-670000110.7Q231 I262 Y263C227-Q231 CarbonylContact C-O 3.44Å; C227-Q231 WeakPolarHBondContact CA-O 3.43Å; C227-I262 WeakPolarHBondContact O-CA 3.36Å; C227-Y263 HydrophobicContact CB-CD1 4.28Å; C227-Y263 HydrophobicContact CB-CD2 4Å; C227-Y263 HydrophobicContact CB-CE1 3.87Å; C227-Y263 HydrophobicContact CB-CE2 3.58Å; C227-Y263 HydrophobicContact CB-CG 4.34Å; C227-Y263 VanDerWaalsContact CB-CZ 3.49Å; C227-Y263 PolarHBondContact N-O 2.76Å; C227-Y263 PolarHBondContact O-N 3.33Å; C227-Y263 VanDerWaalsContact O-N 3.15Å
228K98.8Very high94.9Very high43 Ų4349.1 Ų49.119%0.18726%0.263CS..EExtended strand (participates in β ladder)trans-108.6113.6160.7177.1179.6-179.3174.90107.5N230 Q231 R233 H255 L256 D260 E261 I262K228-N230 PolarHBondContact O-N 2.87Å; K228-N230 VanDerWaalsContact O-N 3.13Å; K228-Q231 PolarHBondContact N-O 2.91Å; K228-Q231 PolarHBondContact O-N 2.79Å; K228-R233 HydrophobicContact CB-CG 3.5Å; K228-R233 VanDerWaalsContact CB-CG 3.5Å; K228-H255 PolarHBondContact NZ-O 3.17Å; K228-L256 HydrophobicContact CD-CD2 3.92Å; K228-L256 HydrophobicContact CG-CD2 4.4Å; K228-D260 WeakPolarHBondContact CE-OD1 3.48Å; K228-D260 WeakPolarHBondContact CE-OD2 3.43Å; K228-D260 IonicContact NZ-OD2 3.89Å; K228-D260 PolarHBondContact NZ-OD2 3.45Å; K228-E261 CarbonylContact C-O 3.53Å; K228-E261 WeakPolarHBondContact CA-O 3.35Å; K228-I262 HydrophobicContact CB-CD1 3.61Å; K228-I262 HydrophobicContact CD-CD1 4.43Å; K228-I262 HydrophobicContact CG-CD1 3.78Å
229N98.3Very high96.1Very high51 Ų5151.4 Ų51.427%0.27327%0.271SS..THydrogen-bonded Turntrans51.6-117.1-170.2-53.4-35.2000109.3D260 E261 Y263N229-D260 PolarHBondContact ND2-OD1 3.21Å; N229-E261 PolarHBondContact N-O 3.45Å; N229-E261 PolarHBondContact OD1-N 3.44Å; N229-Y263 WeakPolarHBondContact O-CE1 3.46Å; N229-Y263 PolarHBondContact O-OH 3.38Å
230N96.4Very high96.9Very high156 Ų15651.9 Ų51.983%0.83427%0.266SS*.THydrogen-bonded Turntrans-101.414.4179.7-60.981000113.8K228K228-N230 PolarHBondContact O-N 2.87Å; K228-N230 VanDerWaalsContact O-N 3.13Å
231Q98.4Very high97.1Very high124 Ų12452.9 Ų52.958%0.57928%0.28SS*.EExtended strand (participates in β ladder)trans-115.9129.8-178.7-64.6-173.819.100111.9C227 K228 R233C227-Q231 CarbonylContact C-O 3.44Å; C227-Q231 WeakPolarHBondContact CA-O 3.43Å; K228-Q231 PolarHBondContact N-O 2.91Å; K228-Q231 PolarHBondContact O-N 2.79Å; Q231-R233 PolarHBondContact O-N 3.19Å
232V98.6Very high97Very high73 Ų7358.3 Ų58.344%0.44231%0.308SS..EExtended strand (participates in β ladder)trans-67.5129.9170.1-179.60000109.3D225D225-V232 HydrophobicContact CB-CG1 4.01Å; D225-V232 HydrophobicContact CB-CG2 4.12Å
233R98.8Very high96.7Very high122 Ų12261.7 Ų61.746%0.4632%0.324SS..EExtended strand (participates in β ladder)trans-111.9-29.1179.6-51.1-48.3-56.5163.60.5112.4L226 K228 Q231 L254L226-R233 HydrophobicContact CD2-CB 3.87Å; L226-R233 HydrophobicContact CD2-CG 4.32Å; L226-R233 PolarHBondContact O-N 3.19Å; K228-R233 HydrophobicContact CB-CG 3.5Å; K228-R233 VanDerWaalsContact CB-CG 3.5Å; Q231-R233 PolarHBondContact O-N 3.19Å; R233-L254 HydrophobicContact CB-CD1 4.17Å; R233-L254 HydrophobicContact CB-CD2 4.17Å; R233-L254 HydrophobicContact CG-CD1 4.11Å; R233-L254 HydrophobicContact CG-CD2 4.4Å
234A98.7Very high96.4Very high13 Ų1361.7 Ų61.711%0.10733%0.33CS..EExtended strand (participates in β ladder)trans-149.5143.7170.900000109D225 L226 N250D225-A234 CarbonylContact C-O 3.58Å; D225-A234 WeakPolarHBondContact CA-O 3.19Å; L226-A234 HydrophobicContact CB-CB 4.29Å; L226-A234 PolarHBondContact N-O 3.27Å; L226-A234 PolarHBondContact O-N 2.88Å; A234-N250 HydrophobicContact CB-CB 4.2Å
235S98.6Very high96.2Very high58 Ų5868 Ų6841%0.40636%0.355SS..EExtended strand (participates in β ladder)trans-128.8150.2179.6-1750000109.6D225 N250D225-S235 WeakPolarHBondContact OD1-CA 3.46Å; D225-S235 WeakPolarHBondContact OD1-CB 3.48Å; D225-S235 PolarHBondContact OD1-OG 2.99Å; S235-N250 PolarHBondContact O-ND2 2.92Å
236A98.5Very high96Very high14 Ų1470.6 Ų70.612%0.11637%0.369CS..EExtended strand (participates in β ladder)trans-142.2146.4171.500000110.2Y210 W223 A224 A248 S249 N250Y210-A236 HydrophobicContact CE2-CB 4.21Å; Y210-A236 WeakPolarHBondContact OH-CB 2.8Å; Y210-A236 PolarHBondContact OH-N 2.8Å; W223-A236 WeakPolarHBondContact CA-O 3.43Å; A224-A236 PolarHBondContact N-O 2.86Å; A224-A236 PolarHBondContact O-N 3.01Å; A236-A248 HydrophobicContact CB-CB 3.91Å; A236-S249 WeakPolarHBondContact CB-O 3.21Å; A236-N250 HydrophobicContact CB-CB 4.34Å
237I97.7Very high96Very high77 Ų7774.9 Ų74.940%0.39539%0.386SS..EExtended strand (participates in β ladder)trans-116.3136175.3-171.8179.3000109M222 W223 Q239M222-I237 WeakPolarHBondContact O-CA 3.29Å; W223-I237 HydrophobicContact CD2-CD1 4.47Å; W223-I237 HydrophobicContact CD2-CG1 4.25Å; W223-I237 VanDerWaalsContact CE2-CD1 3.46Å; W223-I237 HydrophobicContact CG-CG1 4.39Å; W223-I237 HydrophobicContact CH2-CD1 4.4Å; W223-I237 HydrophobicContact CZ2-CD1 3.42Å; W223-I237 VanDerWaalsContact CZ2-CD1 3.42Å; W223-I237 HydrophobicContact CZ2-CG1 4.07Å; I237-Q239 HydrophobicContact CD1-CB 4.23Å; I237-Q239 HydrophobicContact CG1-CB 4.31Å
238A96.5Very high95.9Very high0 Ų074.7 Ų74.70%039%0.385CS..EExtended strand (participates in β ladder)trans-107.7130.2161.800000107.3M214 S221 M222 D246 A248M214-A238 HydrophobicContact CB-CB 3.74Å; M214-A238 HydrophobicContact CG-CB 4.43Å; M214-A238 HydrophobicContact SD-CB 4.01Å; S221-A238 CarbonylContact C-O 3.55Å; S221-A238 VanDerWaalsContact CA-O 3.29Å; S221-A238 WeakPolarHBondContact CA-O 3.44Å; M222-A238 HydrophobicContact CE-CB 4.24Å; M222-A238 PolarHBondContact N-O 3.04Å; M222-A238 PolarHBondContact O-N 3.19Å; A238-D246 HydrophobicContact CB-CB 4.07Å; A238-A248 HydrophobicContact CB-CB 4.17Å
239Q95.1Very high95.9Very high120 Ų12074.7 Ų74.756%0.56139%0.39SS*.EExtended strand (participates in β ladder)trans-150.3122.7-177.4174.7164.732.600111.4T220 S221 I237 D246T220-Q239 VanDerWaalsContact O-CA 3.24Å; T220-Q239 WeakPolarHBondContact O-CA 3.22Å; T220-Q239 WeakPolarHBondContact O-CG 3.29Å; S221-Q239 PolarHBondContact OG-NE2 3.13Å; I237-Q239 HydrophobicContact CD1-CB 4.23Å; I237-Q239 HydrophobicContact CG1-CB 4.31Å; Q239-D246 PolarHBondContact N-OD2 3.08Å; Q239-D246 VanDerWaalsContact N-OD2 3.15Å
240D93.4Very high95.9Very high44 Ų4475.2 Ų75.224%0.23539%0.393CS..  trans-141.6128.3177.6-171.1-80.9000109.6M214 T220 D242 Q243 N244M214-D240 HydrophobicContact CE-CB 4.15Å; T220-D240 WeakPolarHBondContact CA-O 3.5Å; T220-D240 PolarHBondContact O-N 2.56Å; D240-D242 WeakPolarHBondContact OD1-CA 3.35Å; D240-D242 PolarHBondContact OD1-N 2.99Å; D240-Q243 PolarHBondContact O-N 2.85Å; D240-Q243 PolarHBondContact OD1-N 3.06Å; D240-Q243 VanDerWaalsContact OD1-N 3.08Å; D240-N244 HydrophobicContact CB-CB 4.43Å; D240-N244 PolarHBondContact OD1-N 3.43Å
241A90.1Very high96.1Very high85 Ų8570.6 Ų70.670%0.70237%0.373SS*.THydrogen-bonded Turntrans-72.8-30.8-175.300000112.5Q243A241-Q243 PolarHBondContact O-N 3.21Å
242D91.8Very high96.1Very high135 Ų13565.3 Ų65.372%0.72235%0.35SS*.THydrogen-bonded Turntrans-86.55178.1-61.8-38000111.6D240 N244D240-D242 WeakPolarHBondContact OD1-CA 3.35Å; D240-D242 PolarHBondContact OD1-N 2.99Å; D242-N244 VanDerWaalsContact C-N 3.27Å; D242-N244 PolarHBondContact O-N 2.85Å
243Q88.8Confident96.1Very high72 Ų7266.1 Ų66.134%0.33636%0.355SS..  trans61.534.6-179.9-47.4179.5-12.800112.3G216 G217 T220 D240 A241G216-Q243 CarbonylContact C-O 3.42Å; G216-Q243 WeakPolarHBondContact CA-O 3.46Å; G217-Q243 VanDerWaalsContact CA-OE1 3.3Å; G217-Q243 PolarHBondContact N-O 3.01Å; G217-Q243 PolarHBondContact O-OE1 2.96Å; T220-Q243 HydrophobicContact CG2-CG 4.45Å; D240-Q243 PolarHBondContact O-N 2.85Å; D240-Q243 PolarHBondContact OD1-N 3.06Å; D240-Q243 VanDerWaalsContact OD1-N 3.08Å; A241-Q243 PolarHBondContact O-N 3.21Å
244N91.9Very high96.1Very high94 Ų9461.3 Ų61.350%0.50334%0.339SS..  trans-73.1165.9171.2-75.89.5000111.6M214 D240 D242M214-N244 WeakPolarHBondContact CE-O 3.2Å; D240-N244 HydrophobicContact CB-CB 4.43Å; D240-N244 PolarHBondContact OD1-N 3.43Å; D242-N244 VanDerWaalsContact C-N 3.27Å; D242-N244 PolarHBondContact O-N 2.85Å
245Y93Very high96.1Very high134 Ų13464.3 Ų64.353%0.52535%0.35SS..  trans-68.7132172.6-72.9-85.6000110.7L213 M214 H272L213-Y245 HydrophobicContact CD1-CD1 3.9Å; L213-Y245 HydrophobicContact CD1-CG 4.4Å; L213-Y245 HydrophobicContact CD2-CD1 3.88Å; L213-Y245 HydrophobicContact CD2-CE1 4.32Å; L213-Y245 HydrophobicContact CG-CD1 3.88Å; M214-Y245 WeakPolarHBondContact O-CD1 3.39Å; Y245-H272 HydrophobicContact CE1-CB 4.36Å; Y245-H272 AromaticContact CE1-CG 3.99Å; Y245-H272 AromaticContact CE1-ND1 3.67Å
246D95.8Very high96.1Very high63 Ų6361.6 Ų61.634%0.33733%0.331SS..  trans-146.9163.6177.4-171.120.1000110.4M214 A238 Q239M214-D246 WeakPolarHBondContact CB-O 3.27Å; M214-D246 HydrophobicContact CE-CB 4.21Å; M214-D246 PolarHBondContact N-O 2.99Å; A238-D246 HydrophobicContact CB-CB 4.07Å; Q239-D246 PolarHBondContact N-OD2 3.08Å; Q239-D246 VanDerWaalsContact N-OD2 3.15Å
247Y97.1Very high96.1Very high90 Ų9065.4 Ų65.435%0.35335%0.346SS..EExtended strand (participates in β ladder)trans-112.3127.2-173.7-90.7-83.4000113.5H211 V212 L213 Y279H211-Y247 HydrophobicContact CB-CD1 3.95Å; H211-Y247 HydrophobicContact CB-CE1 3.94Å; V212-Y247 WeakPolarHBondContact O-CA 3.28Å; L213-Y247 HydrophobicContact CB-CD1 4.38Å; L213-Y247 HydrophobicContact CB-CE1 3.84Å; L213-Y247 HydrophobicContact CD1-CD2 4.01Å; L213-Y247 HydrophobicContact CD1-CE1 4.47Å; L213-Y247 HydrophobicContact CD1-CE2 3.71Å; Y247-Y279 WeakPolarHBondContact CE1-O 3.28Å; Y247-Y279 PolarHBondContact OH-O 3.43Å
248A98.1Very high96.2Very high0 Ų065.2 Ų65.20%035%0.35CS..EExtended strand (participates in β ladder)trans-93104.6161.900000108Y210 V212 M222 A224 A236 A238Y210-A248 WeakPolarHBondContact CE2-O 3.49Å; V212-A248 PolarHBondContact N-O 2.94Å; V212-A248 PolarHBondContact O-N 3.33Å; M222-A248 HydrophobicContact CE-CB 3.67Å; A224-A248 HydrophobicContact CB-CB 3.88Å; A236-A248 HydrophobicContact CB-CB 3.91Å; A238-A248 HydrophobicContact CB-CB 4.17Å
249S98.8Very high96.2Very high43 Ų4367.6 Ų67.630%0.30138%0.375SS..EExtended strand (participates in β ladder)trans-131.2139-176.9-54.40000111.6Y210 H211 A236Y210-S249 VanDerWaalsContact O-CA 3.29Å; Y210-S249 WeakPolarHBondContact O-CA 3.34Å; Y210-S249 WeakPolarHBondContact O-CB 3.35Å; H211-S249 WeakPolarHBondContact CA-OG 3.16Å; H211-S249 VanDerWaalsContact ND1-CB 3.29Å; H211-S249 WeakPolarHBondContact ND1-CB 3.23Å; H211-S249 PolarHBondContact ND1-OG 3.07Å; A236-S249 WeakPolarHBondContact CB-O 3.21Å
250N98.9Very high96.4Very high63 Ų6362.9 Ų62.934%0.33735%0.353SS..EExtended strand (participates in β ladder)trans-154174.8170.6-146.2-32.6000110.7T209 Y210 A234 S235 A236T209-N250 WeakPolarHBondContact CA-O 3.34Å; T209-N250 PolarHBondContact OG1-O 2.83Å; Y210-N250 HydrophobicContact CE1-CB 3.62Å; Y210-N250 HydrophobicContact CE2-CB 4.42Å; Y210-N250 PolarHBondContact N-O 3.22Å; Y210-N250 VanDerWaalsContact N-O 3.1Å; Y210-N250 PolarHBondContact O-N 3.15Å; Y210-N250 VanDerWaalsContact OH-CB 3.22Å; Y210-N250 WeakPolarHBondContact OH-CB 3.46Å; A234-N250 HydrophobicContact CB-CB 4.2Å; S235-N250 PolarHBondContact O-ND2 2.92Å; A236-N250 HydrophobicContact CB-CB 4.34Å
251S98.9Very high96.7Very high58 Ų5863.6 Ų63.641%0.40636%0.355SS..EExtended strand (participates in β ladder)trans-143.4155.9175.561.60000110.8F208F208-S251 CarbonylContact O-C 3.36Å; F208-S251 WeakPolarHBondContact O-CA 2.93Å; F208-S251 WeakPolarHBondContact O-CB 3.33Å
252A98.8Very high97.1Very high14 Ų1459.5 Ų59.512%0.11632%0.322CS..EExtended strand (participates in β ladder)trans-148145.9177.800000111.2F208 L226 L254F208-A252 PolarHBondContact N-O 2.9Å; F208-A252 PolarHBondContact O-N 2.84Å; L226-A252 HydrophobicContact CD2-CB 4.47Å; A252-L254 HydrophobicContact CB-CD1 4.29Å; A252-L254 HydrophobicContact CB-CD2 4.24Å; A252-L254 HydrophobicContact CB-CG 4.01Å
253V98.9Very high97.4Very high89 Ų8954.2 Ų54.254%0.53929%0.292SS..EExtended strand (participates in β ladder)trans-106.5121165178.40000107.3I205 Y206 F207 I287I205-V253 HydrophobicContact CG2-CG1 3.36Å; Y206-V253 CarbonylContact O-C 3.47Å; Y206-V253 VanDerWaalsContact O-CA 3.29Å; Y206-V253 WeakPolarHBondContact O-CA 3.47Å; F207-V253 HydrophobicContact CD2-CG2 4.03Å; V253-I287 HydrophobicContact CG1-CD1 3.99Å; V253-I287 HydrophobicContact CG2-CD1 4.3Å
254L98.8Very high97.9Very high22 Ų2250.8 Ų50.812%0.11528%0.276CS..EExtended strand (participates in β ladder)trans-131.3137.4-171.6-60.6176.1000110.7Y206 F208 L226 R233 A252 L256 I262Y206-L254 PolarHBondContact N-O 2.86Å; Y206-L254 PolarHBondContact O-N 3.17Å; F208-L254 HydrophobicContact CD2-CD1 4.36Å; L226-L254 HydrophobicContact CD2-CD1 3.73Å; R233-L254 HydrophobicContact CB-CD1 4.17Å; R233-L254 HydrophobicContact CB-CD2 4.17Å; R233-L254 HydrophobicContact CG-CD1 4.11Å; R233-L254 HydrophobicContact CG-CD2 4.4Å; A252-L254 HydrophobicContact CB-CD1 4.29Å; A252-L254 HydrophobicContact CB-CD2 4.24Å; A252-L254 HydrophobicContact CB-CG 4.01Å; L254-L256 HydrophobicContact CB-CD2 4.08Å; L254-I262 HydrophobicContact CD1-CD1 3.99Å
255H98.8Very high98.2Very high76 Ų7649 Ų4935%0.35226%0.263SS..EExtended strand (participates in β ladder)trans-78.2131161.9-179.2-90.2000109.6G204 I205 K228 E257 D290G204-H255 WeakPolarHBondContact O-CA 3.38Å; I205-H255 HydrophobicContact CD1-CB 3.71Å; K228-H255 PolarHBondContact NZ-O 3.17Å; H255-E257 IonicContact CE1-OE1 3.6Å; H255-E257 PolarHBondContact CE1-OE1 3.27Å; H255-D290 IonicContact CD2-OD1 2.67Å; H255-D290 IonicContact CD2-OD2 2.73Å; H255-D290 IonicContact CE1-OD2 3.86Å; H255-D290 IonicContact NE2-OD1 3.37Å; H255-D290 IonicContact NE2-OD2 2.93Å; H255-D290 PolarHBondContact NE2-OD2 3.13Å
256L98.8Very high98.4Very high0 Ų042.6 Ų42.60%024%0.238CC..EExtended strand (participates in β ladder)trans-125.8146.2-179-55.2-175.2000110.9F198 C200 P203 G204 Y206 F208 K228 L254 D260 I262F198-L256 HydrophobicContact CD1-CD1 4.42Å; F198-L256 HydrophobicContact CE1-CD1 3.92Å; C200-L256 HydrophobicContact CB-CB 3.95Å; C200-L256 HydrophobicContact CB-CD1 4.06Å; C200-L256 VanDerWaalsContact SG-CB 3.6Å; P203-L256 VanDerWaalsContact CA-O 3.29Å; P203-L256 WeakPolarHBondContact CA-O 3.32Å; G204-L256 PolarHBondContact N-O 3.13Å; G204-L256 VanDerWaalsContact N-O 3.16Å; G204-L256 PolarHBondContact O-N 3.07Å; Y206-L256 HydrophobicContact CD1-CD1 4.36Å; Y206-L256 HydrophobicContact CD2-CB 3.86Å; Y206-L256 HydrophobicContact CD2-CD1 3.59Å; Y206-L256 HydrophobicContact CD2-CG 3.68Å; Y206-L256 HydrophobicContact CE2-CB 3.94Å; Y206-L256 HydrophobicContact CE2-CD1 4.06Å; Y206-L256 HydrophobicContact CE2-CG 4.23Å; Y206-L256 HydrophobicContact CG-CD1 3.76Å; Y206-L256 HydrophobicContact CG-CG 4.24Å; F208-L256 HydrophobicContact CE2-CD1 3.88Å; F208-L256 HydrophobicContact CZ-CD1 3.77Å; K228-L256 HydrophobicContact CD-CD2 3.92Å; K228-L256 HydrophobicContact CG-CD2 4.4Å; L254-L256 HydrophobicContact CB-CD2 4.08Å; L256-D260 HydrophobicContact CB-CB 4.37Å; L256-D260 HydrophobicContact CD2-CB 4.34Å; L256-I262 HydrophobicContact CD1-CD1 4.34Å; L256-I262 HydrophobicContact CD1-CG1 3.78Å; L256-I262 HydrophobicContact CD2-CD1 3.55Å; L256-I262 HydrophobicContact CD2-CG1 3.94Å
257E98.6Very high98.4Very high94 Ų9442.5 Ų42.544%0.43924%0.238SC..  trans-105.4155.6170.2-69.4-67.7171.600110.3C200 H255 G259 D260C200-E257 VanDerWaalsContact CB-O 3.27Å; C200-E257 WeakPolarHBondContact CB-O 3.35Å; C200-E257 PolarHBondContact SG-O 2.9Å; C200-E257 VanDerWaalsContact SG-O 3.34Å; H255-E257 IonicContact CE1-OE1 3.6Å; H255-E257 PolarHBondContact CE1-OE1 3.27Å; E257-G259 PolarHBondContact O-N 2.88Å; E257-D260 PolarHBondContact N-OD2 3.05Å; E257-D260 VanDerWaalsContact O-CB 3.3Å; E257-D260 WeakPolarHBondContact O-CB 3.48Å; E257-D260 PolarHBondContact O-N 3.01Å
258P98.4Very high98.1Very high73 Ų7338.5 Ų38.547%0.47422%0.224SC..THydrogen-bonded Turntrans-53.2128.3173.5-26.535.8000112
259G98.4Very high97.8Very high50 Ų5039.8 Ų39.852%0.51524%0.237SC..THydrogen-bonded Turntrans95.2-13.3-17600000114.7C200 E257 E261C200-G259 PolarHBondContact O-N 3.37Å; E257-G259 PolarHBondContact O-N 2.88Å; G259-E261 PolarHBondContact O-N 2.91Å
260D98.9Very high97.5Very high21 Ų2140.3 Ų40.311%0.11223%0.234CC..  trans-62133.2172.9-79.6-32.8000110.9C200 K228 N229 L256 E257C200-D260 HydrophobicContact CB-CB 4.2Å; C200-D260 PolarHBondContact N-O 2.89Å; K228-D260 WeakPolarHBondContact CE-OD1 3.48Å; K228-D260 WeakPolarHBondContact CE-OD2 3.43Å; K228-D260 IonicContact NZ-OD2 3.89Å; K228-D260 PolarHBondContact NZ-OD2 3.45Å; N229-D260 PolarHBondContact ND2-OD1 3.21Å; L256-D260 HydrophobicContact CB-CB 4.37Å; L256-D260 HydrophobicContact CD2-CB 4.34Å; E257-D260 PolarHBondContact N-OD2 3.05Å; E257-D260 VanDerWaalsContact O-CB 3.3Å; E257-D260 WeakPolarHBondContact O-CB 3.48Å; E257-D260 PolarHBondContact O-N 3.01Å
261E98.9Very high97.3Very high59 Ų5937.3 Ų37.328%0.27622%0.218SC..EExtended strand (participates in β ladder)trans-101.9131.7176.3-63.7-175.9134.800110.8K197 F198 K228 N229 G259 Y263K197-E261 HydrophobicContact CD-CB 4.29Å; K197-E261 VanDerWaalsContact CD-CD 3.48Å; K197-E261 HydrophobicContact CD-CG 4.26Å; K197-E261 VanDerWaalsContact CD-OE1 3.25Å; K197-E261 WeakPolarHBondContact CD-OE1 3.41Å; K197-E261 IonicContact NZ-OE1 3.71Å; K197-E261 PolarHBondContact NZ-OE1 2.94Å; K197-E261 IonicContact NZ-OE2 3.41Å; K197-E261 PolarHBondContact NZ-OE2 3.32Å; F198-E261 CarbonylContact O-C 3.15Å; F198-E261 WeakPolarHBondContact O-CA 3.29Å; K228-E261 CarbonylContact C-O 3.53Å; K228-E261 WeakPolarHBondContact CA-O 3.35Å; N229-E261 PolarHBondContact N-O 3.45Å; N229-E261 PolarHBondContact OD1-N 3.44Å; G259-E261 PolarHBondContact O-N 2.91Å; E261-Y263 HydrophobicContact CB-CD1 4.34Å
262I98.9Very high96.8Very high0 Ų036 Ų360%021%0.205CC..EExtended strand (participates in β ladder)trans-117.5129172.4-52.7-68.2000109.7F198 F208 L226 C227 K228 L254 L256 F282F198-I262 HydrophobicContact CB-CB 4.3Å; F198-I262 HydrophobicContact CD1-CB 4.28Å; F198-I262 HydrophobicContact CD1-CG1 4.27Å; F198-I262 PolarHBondContact N-O 2.88Å; F198-I262 PolarHBondContact O-N 2.9Å; F208-I262 HydrophobicContact CD1-CG2 3.9Å; F208-I262 HydrophobicContact CD2-CG2 4.14Å; F208-I262 HydrophobicContact CE1-CB 4.05Å; F208-I262 HydrophobicContact CE1-CG1 4.28Å; F208-I262 HydrophobicContact CE1-CG2 3.9Å; F208-I262 HydrophobicContact CE2-CB 4.42Å; F208-I262 HydrophobicContact CE2-CD1 4.46Å; F208-I262 HydrophobicContact CE2-CG1 3.9Å; F208-I262 HydrophobicContact CE2-CG2 4.15Å; F208-I262 HydrophobicContact CG-CG2 4.02Å; F208-I262 HydrophobicContact CZ-CB 4Å; F208-I262 HydrophobicContact CZ-CG1 3.71Å; F208-I262 HydrophobicContact CZ-CG2 4.05Å; L226-I262 HydrophobicContact CD1-CG2 4.41Å; L226-I262 HydrophobicContact CD2-CG2 4.13Å; L226-I262 HydrophobicContact CG-CG2 4.19Å; C227-I262 WeakPolarHBondContact O-CA 3.36Å; K228-I262 HydrophobicContact CB-CD1 3.61Å; K228-I262 HydrophobicContact CD-CD1 4.43Å; K228-I262 HydrophobicContact CG-CD1 3.78Å; L254-I262 HydrophobicContact CD1-CD1 3.99Å; L256-I262 HydrophobicContact CD1-CD1 4.34Å; L256-I262 HydrophobicContact CD1-CG1 3.78Å; L256-I262 HydrophobicContact CD2-CD1 3.55Å; L256-I262 HydrophobicContact CD2-CG1 3.94Å; I262-F282 HydrophobicContact CG2-CZ 4.05Å
263Y98.9Very high95.8Very high23 Ų2335.5 Ų35.59%0.0920%0.201CC..EExtended strand (participates in β ladder)trans-156.9163.3-178.358.9-86.9000111.7V177 K197 C227 N229 E261 K265V177-Y263 HydrophobicContact CB-CD2 4.37Å; V177-Y263 HydrophobicContact CG1-CD2 3.88Å; V177-Y263 HydrophobicContact CG1-CG 4.26Å; V177-Y263 HydrophobicContact CG2-CD2 3.69Å; V177-Y263 HydrophobicContact CG2-CE2 3.76Å; K197-Y263 HydrophobicContact CD-CD1 4.26Å; K197-Y263 HydrophobicContact CG-CD1 4.21Å; K197-Y263 HydrophobicContact CG-CG 4.24Å; C227-Y263 HydrophobicContact CB-CD1 4.28Å; C227-Y263 HydrophobicContact CB-CD2 4Å; C227-Y263 HydrophobicContact CB-CE1 3.87Å; C227-Y263 HydrophobicContact CB-CE2 3.58Å; C227-Y263 HydrophobicContact CB-CG 4.34Å; C227-Y263 VanDerWaalsContact CB-CZ 3.49Å; C227-Y263 PolarHBondContact N-O 2.76Å; C227-Y263 PolarHBondContact O-N 3.33Å; C227-Y263 VanDerWaalsContact O-N 3.15Å; N229-Y263 WeakPolarHBondContact O-CE1 3.46Å; N229-Y263 PolarHBondContact O-OH 3.38Å; E261-Y263 HydrophobicContact CB-CD1 4.34Å; Y263-K265 HydrophobicContact CD2-CB 4.31Å; Y263-K265 HydrophobicContact CE2-CB 4.08Å
264I98.8Very high94.3Very high0 Ų032 Ų320%018%0.184CC..EExtended strand (participates in β ladder)trans-99.3129.1172.3-48.6-54.6000108.9L178 F180 Y210 V212 A224 D225 L226 F282L178-I264 HydrophobicContact CB-CB 4.45Å; L178-I264 HydrophobicContact CD1-CB 4.45Å; L178-I264 HydrophobicContact CD1-CG2 3.9Å; L178-I264 PolarHBondContact N-O 2.92Å; F180-I264 HydrophobicContact CE2-CB 3.94Å; F180-I264 HydrophobicContact CE2-CG1 3.87Å; F180-I264 HydrophobicContact CZ-CB 4.28Å; F180-I264 HydrophobicContact CZ-CG1 4.15Å; Y210-I264 HydrophobicContact CD1-CD1 3.44Å; Y210-I264 VanDerWaalsContact CD1-CD1 3.44Å; Y210-I264 HydrophobicContact CD1-CG1 4.44Å; Y210-I264 HydrophobicContact CD2-CD1 4.47Å; Y210-I264 HydrophobicContact CE1-CD1 4.1Å; Y210-I264 HydrophobicContact CG-CD1 3.64Å; Y210-I264 HydrophobicContact CG-CG1 4.16Å; V212-I264 HydrophobicContact CG2-CG2 4.29Å; A224-I264 HydrophobicContact CB-CG2 4.07Å; D225-I264 CarbonylContact O-C 3.59Å; D225-I264 VanDerWaalsContact O-CA 3.26Å; D225-I264 WeakPolarHBondContact O-CA 3.4Å; L226-I264 HydrophobicContact CB-CD1 3.84Å; L226-I264 HydrophobicContact CD1-CD1 4.12Å; L226-I264 HydrophobicContact CG-CD1 4.04Å; I264-F282 HydrophobicContact CD1-CD2 3.92Å; I264-F282 HydrophobicContact CD1-CE2 3.78Å; I264-F282 HydrophobicContact CD1-CG 4.44Å; I264-F282 HydrophobicContact CD1-CZ 4.17Å; I264-F282 HydrophobicContact CG1-CB 4.42Å; I264-F282 HydrophobicContact CG1-CD1 4.11Å; I264-F282 HydrophobicContact CG1-CD2 3.86Å; I264-F282 HydrophobicContact CG1-CE1 4.33Å; I264-F282 HydrophobicContact CG1-CE2 4.1Å; I264-F282 HydrophobicContact CG1-CG 3.88Å; I264-F282 HydrophobicContact CG1-CZ 4.33Å
265K98.3Very high93Very high56 Ų5635 Ų3524%0.24320%0.2CC..EExtended strand (participates in β ladder)trans-114.4135176.4-168-152.5163.6-148.40108.7Y175 E176 D225 Y263 D267Y175-K265 WeakPolarHBondContact O-CE 3.09Å; E176-K265 WeakPolarHBondContact O-CA 3.22Å; D225-K265 PolarHBondContact N-O 3.05Å; D225-K265 PolarHBondContact O-N 3.35Å; Y263-K265 HydrophobicContact CD2-CB 4.31Å; Y263-K265 HydrophobicContact CE2-CB 4.08Å; K265-D267 IonicContact NZ-OD1 2.85Å; K265-D267 PolarHBondContact NZ-OD1 3.16Å
266L96.9Very high92.2Very high0 Ų036.8 Ų36.80%021%0.212CC..EExtended strand (participates in β ladder)trans-71.9140.8163.2-75.1175.7000109.6H172 G174 Y175 E176 L178 M222 W223 A271H172-L266 HydrophobicContact CB-CD1 3.98Å; G174-L266 VanDerWaalsContact O-CB 3.28Å; G174-L266 WeakPolarHBondContact O-CB 3.28Å; Y175-L266 CarbonylContact C-O 3.22Å; Y175-L266 VanDerWaalsContact CA-O 3.27Å; Y175-L266 WeakPolarHBondContact CA-O 3.42Å; E176-L266 PolarHBondContact O-N 3.31Å; L178-L266 HydrophobicContact CD1-CD2 4.22Å; L178-L266 HydrophobicContact CD1-CG 4.18Å; L178-L266 HydrophobicContact CD2-CD1 3.65Å; L178-L266 HydrophobicContact CD2-CD2 4.38Å; L178-L266 HydrophobicContact CD2-CG 3.65Å; L178-L266 HydrophobicContact CG-CD1 4.47Å; L178-L266 HydrophobicContact CG-CG 3.94Å; M222-L266 HydrophobicContact CG-CD2 3.75Å; M222-L266 HydrophobicContact SD-CD2 3.87Å; W223-L266 WeakPolarHBondContact O-CA 3.39Å; W223-L266 WeakPolarHBondContact O-CD2 3.4Å; L266-A271 HydrophobicContact CD1-CB 4.18Å; L266-A271 HydrophobicContact CD2-CB 4.33Å
267D94.8Very high91.7Very high62 Ų6241.4 Ų41.433%0.33224%0.237SC..  trans-121.149170.7-150.154.8000110.8Y175 W223 K265Y175-D267 WeakPolarHBondContact CD1-OD1 3.45Å; W223-D267 HydrophobicContact CB-CB 3.96Å; W223-D267 PolarHBondContact O-N 3.34Å; K265-D267 IonicContact NZ-OD1 2.85Å; K265-D267 PolarHBondContact NZ-OD1 3.16Å
268G92.1Very high91.4Very high6 Ų639.1 Ų39.16%0.06223%0.225CC..SBendtrans106.4157.3-174.100000113.1G174 M222 W223G174-G268 VanDerWaalsContact O-CA 3.28Å; G174-G268 WeakPolarHBondContact O-CA 3.24Å; G174-G268 PolarHBondContact O-N 3.29Å; M222-G268 WeakPolarHBondContact CA-O 3.29Å; W223-G268 PolarHBondContact N-O 3.4Å
269G92.1Very high91.3Very high26 Ų2640.2 Ų40.227%0.26822%0.221SC..SBendtrans86.8-165.7-178.200000113.8E173 G174 S221E173-G269 WeakPolarHBondContact CA-O 3.46Å; G174-G269 PolarHBondContact N-O 2.85Å; S221-G269 WeakPolarHBondContact O-CA 3.36Å
270K92.5Very high91.2Very high55 Ų5537.9 Ų37.924%0.23920%0.196CC..EExtended strand (participates in β ladder)trans-132.7123.8-175.4-58.8-172.1-176.8-1740110.7H172 E173 R215 D218 M222H172-K270 WeakPolarHBondContact O-CA 3.33Å; E173-K270 HydrophobicContact CB-CB 4.4Å; E173-K270 HydrophobicContact CB-CG 3.84Å; E173-K270 WeakPolarHBondContact OE2-CE 3.49Å; E173-K270 IonicContact OE2-NZ 3.67Å; R215-K270 HydrophobicContact CB-CB 4.06Å; R215-K270 PolarHBondContact N-O 2.86Å; D218-K270 HydrophobicContact CB-CD 3.87Å; D218-K270 IonicContact OD2-NZ 3.71Å; M222-K270 VanDerWaalsContact SD-O 3.34Å
271A92.9Very high91.2Very high0 Ų037.5 Ų37.50%020%0.195CC..EExtended strand (participates in β ladder)trans-85.8132.7173.500000110.7L168 H172 L178 V212 M222 L266 G273L168-A271 HydrophobicContact CD2-CB 4.03Å; H172-A271 HydrophobicContact CB-CB 4.37Å; H172-A271 PolarHBondContact O-N 2.94Å; L178-A271 HydrophobicContact CD2-CB 4.01Å; V212-A271 HydrophobicContact CG1-CB 3.72Å; M222-A271 HydrophobicContact SD-CB 4.14Å; L266-A271 HydrophobicContact CD1-CB 4.18Å; L266-A271 HydrophobicContact CD2-CB 4.33Å; A271-G273 PolarHBondContact O-N 3.24Å; A271-G273 VanDerWaalsContact O-N 3.15Å
272H90.3Very high91.2Very high30 Ų3034.7 Ų34.714%0.13918%0.182CC..  trans-75104.1171.2-168.985000109.6L213 R215 Y245 S280L213-H272 HydrophobicContact CB-CB 4.2Å; L213-H272 HydrophobicContact CD2-CB 3.99Å; L213-H272 HydrophobicContact CG-CB 3.94Å; L213-H272 WeakPolarHBondContact O-CB 3.39Å; L213-H272 PolarHBondContact O-N 3.44Å; R215-H272 HydrophobicContact CB-CB 4.19Å; Y245-H272 HydrophobicContact CE1-CB 4.36Å; Y245-H272 AromaticContact CE1-CG 3.99Å; Y245-H272 AromaticContact CE1-ND1 3.67Å; H272-S280 PolarHBondContact O-OG 3.46Å
273G77.2Confident91.2Very high3 Ų336 Ų363%0.03119%0.191CC..  trans-98116.815600000107.9K169 K170 Q171 A271K169-G273 CarbonylContact O-C 3.56Å; K169-G273 VanDerWaalsContact O-C 3.22Å; K170-G273 WeakPolarHBondContact O-CA 3.43Å; Q171-G273 WeakPolarHBondContact CG-O 3.44Å; A271-G273 PolarHBondContact O-N 3.24Å; A271-G273 VanDerWaalsContact O-N 3.15Å
274G66.5Low91.2Very high17 Ų1734.9 Ų34.918%0.17519%0.187CC..  trans-158.8113.2-175.500000109.1
275N72.5Confident91.2Very high85 Ų8539.3 Ų39.346%0.45521%0.206SC..SBendtrans60.5-171.4175.976.438.6000115.5N277N275-N277 VanDerWaalsContact C-N 3.3Å; N275-N277 PolarHBondContact ND2-ND2 2.96Å; N275-N277 PolarHBondContact O-N 3.44Å; N275-N277 WeakPolarHBondContact OD1-CA 3.4Å; N275-N277 WeakPolarHBondContact OD1-CB 3.42Å; N275-N277 PolarHBondContact OD1-N 2.94Å; N275-N277 PolarHBondContact OD1-ND2 3.41Å; N275-N277 VanDerWaalsContact OD1-ND2 3.15Å; N275-N277 PolarHBondContact OD1-OD1 3.35Å
276N81.6Confident91.2Very high113 Ų11337.8 Ų37.860%0.60420%0.2SC*.SBendtrans-88.78.7-173.3-60.4-10.1000113.2K278N276-K278 VanDerWaalsContact C-N 3.3Å; N276-K278 PolarHBondContact O-N 3.01Å; N276-K278 PolarHBondContact O-NZ 2.96Å
277N88.4Confident91.2Very high97 Ų9740.9 Ų40.952%0.51922%0.216SC..SBendtrans-80.9-3.7-171.8-61.4-8.8000114N275 Y279N275-N277 VanDerWaalsContact C-N 3.3Å; N275-N277 PolarHBondContact ND2-ND2 2.96Å; N275-N277 PolarHBondContact O-N 3.44Å; N275-N277 WeakPolarHBondContact OD1-CA 3.4Å; N275-N277 WeakPolarHBondContact OD1-CB 3.42Å; N275-N277 PolarHBondContact OD1-N 2.94Å; N275-N277 PolarHBondContact OD1-ND2 3.41Å; N275-N277 VanDerWaalsContact OD1-ND2 3.15Å; N275-N277 PolarHBondContact OD1-OD1 3.35Å; N277-Y279 HydrophobicContact CB-CD2 4.05Å; N277-Y279 HydrophobicContact CB-CE2 3.55Å; N277-Y279 PolarHBondContact ND2-OH 3.07Å; N277-Y279 VanDerWaalsContact ND2-OH 3.14Å; N277-Y279 PolarHBondContact O-N 3.43Å
278K92.9Very high91.3Very high46 Ų4645.6 Ų45.620%0.223%0.23CC..  trans5844.6174.4-51.5-71.8-170.5-62.70113.6D182 V184 N276 T281D182-K278 HydrophobicContact CB-CD 4.22Å; D182-K278 WeakPolarHBondContact O-CE 3.41Å; D182-K278 IonicContact OD1-NZ 3.33Å; D182-K278 PolarHBondContact OD1-NZ 3.3Å; D182-K278 WeakPolarHBondContact OD2-CE 3.32Å; D182-K278 IonicContact OD2-NZ 2.59Å; D182-K278 PolarHBondContact OD2-NZ 3.49Å; V184-K278 HydrophobicContact CG2-CD 4.42Å; N276-K278 VanDerWaalsContact C-N 3.3Å; N276-K278 PolarHBondContact O-N 3.01Å; N276-K278 PolarHBondContact O-NZ 2.96Å; K278-T281 HydrophobicContact CB-CG2 4.04Å; K278-T281 WeakPolarHBondContact O-CG2 3.36Å
279Y94.9Very high91.5Very high96 Ų9648.2 Ų48.238%0.37625%0.245SC..  trans-62.7-49.5175.2-66.5-71.4000111.7L213 Y247 N277L213-Y279 HydrophobicContact CD2-CD1 4.23Å; L213-Y279 HydrophobicContact CD2-CG 3.94Å; Y247-Y279 WeakPolarHBondContact CE1-O 3.28Å; Y247-Y279 PolarHBondContact OH-O 3.43Å; N277-Y279 HydrophobicContact CB-CD2 4.05Å; N277-Y279 HydrophobicContact CB-CE2 3.55Å; N277-Y279 PolarHBondContact ND2-OH 3.07Å; N277-Y279 VanDerWaalsContact ND2-OH 3.14Å; N277-Y279 PolarHBondContact O-N 3.43Å
280S97Very high91.5Very high0 Ų053.6 Ų53.60%027%0.268CS..SBendtrans-94.4127174.7-60.30000109.8G167 L168 H211 L213 H272G167-S280 CarbonylContact C-O 3.54Å; G167-S280 WeakPolarHBondContact CA-O 3.43Å; L168-S280 PolarHBondContact N-O 2.82Å; H211-S280 CarbonylContact O-C 3.52Å; H211-S280 WeakPolarHBondContact O-CA 3.23Å; L213-S280 PolarHBondContact N-OG 3.5Å; H272-S280 PolarHBondContact O-OG 3.46Å
281T98.3Very high91.5Very high13 Ų1353.6 Ų53.68%0.0827%0.269CS..EExtended strand (participates in β ladder)trans-140153.8-172.460.30000113.4Y165 A166 F180 Y210 H211 K278Y165-T281 HydrophobicContact CE2-CG2 3.6Å; Y165-T281 WeakPolarHBondContact OH-CG2 3.48Å; A166-T281 WeakPolarHBondContact O-CA 3.15Å; F180-T281 VanDerWaalsContact CE1-C 3.42Å; Y210-T281 VanDerWaalsContact CA-O 3.31Å; Y210-T281 WeakPolarHBondContact CA-O 2.97Å; H211-T281 PolarHBondContact N-O 2.8Å; H211-T281 PolarHBondContact O-N 2.95Å; K278-T281 HydrophobicContact CB-CG2 4.04Å; K278-T281 WeakPolarHBondContact O-CG2 3.36Å
282F98.8Very high91.4Very high0 Ų056.4 Ų56.40%028%0.284CS..EExtended strand (participates in β ladder)trans-140.9134.7171.3-179-144.5000109.8F164 Y165 A166 F180 Y191 F208 T209 L226 I262 I264F164-F282 AromaticContact CE2-CD1 3.61Å; F164-F282 HydrophobicContact CE2-CD1 3.61Å; F164-F282 HydrophobicContact CE2-CD2 4.47Å; F164-F282 AromaticContact CE2-CE1 3.77Å; F164-F282 HydrophobicContact CE2-CE1 3.77Å; F164-F282 AromaticContact CE2-CG 3.97Å; F164-F282 HydrophobicContact CE2-CG 3.97Å; F164-F282 HydrophobicContact CE2-CZ 4.27Å; F164-F282 AromaticContact CZ-CD1 3.88Å; F164-F282 HydrophobicContact CZ-CD1 3.88Å; F164-F282 HydrophobicContact CZ-CD2 4.34Å; F164-F282 AromaticContact CZ-CE1 3.57Å; F164-F282 HydrophobicContact CZ-CE1 3.57Å; F164-F282 HydrophobicContact CZ-CE2 4.06Å; F164-F282 HydrophobicContact CZ-CG 4.23Å; F164-F282 AromaticContact CZ-CZ 3.66Å; F164-F282 HydrophobicContact CZ-CZ 3.66Å; Y165-F282 WeakPolarHBondContact CA-O 2.98Å; A166-F282 PolarHBondContact N-O 2.95Å; A166-F282 PolarHBondContact O-N 2.9Å; F180-F282 HydrophobicContact CD1-CB 3.96Å; F180-F282 HydrophobicContact CD2-CB 3.61Å; F180-F282 HydrophobicContact CD2-CD1 4.06Å; F180-F282 HydrophobicContact CD2-CG 4.27Å; F180-F282 HydrophobicContact CE1-CB 3.88Å; F180-F282 HydrophobicContact CE2-CB 3.52Å; F180-F282 HydrophobicContact CE2-CD1 4.12Å; F180-F282 HydrophobicContact CE2-CG 4.1Å; F180-F282 HydrophobicContact CG-CB 3.84Å; F180-F282 HydrophobicContact CZ-CB 3.67Å; Y191-F282 AromaticContact CE2-CD1 3.97Å; Y191-F282 HydrophobicContact CE2-CD1 3.97Å; Y191-F282 HydrophobicContact CE2-CE1 4.19Å; F208-F282 HydrophobicContact CB-CE2 4.21Å; F208-F282 HydrophobicContact CD1-CE2 4.08Å; F208-F282 HydrophobicContact CD1-CZ 4.01Å; T209-F282 WeakPolarHBondContact O-CD2 3.23Å; L226-F282 HydrophobicContact CD1-CE2 4.35Å; I262-F282 HydrophobicContact CG2-CZ 4.05Å; I264-F282 HydrophobicContact CD1-CD2 3.92Å; I264-F282 HydrophobicContact CD1-CE2 3.78Å; I264-F282 HydrophobicContact CD1-CG 4.44Å; I264-F282 HydrophobicContact CD1-CZ 4.17Å; I264-F282 HydrophobicContact CG1-CB 4.42Å; I264-F282 HydrophobicContact CG1-CD1 4.11Å; I264-F282 HydrophobicContact CG1-CD2 3.86Å; I264-F282 HydrophobicContact CG1-CE1 4.33Å; I264-F282 HydrophobicContact CG1-CE2 4.1Å; I264-F282 HydrophobicContact CG1-CG 3.88Å; I264-F282 HydrophobicContact CG1-CZ 4.33Å
283S98.9Very high91.4Very high27 Ų2757.8 Ų57.819%0.18929%0.292CS..EExtended strand (participates in β ladder)trans-145.9159.9178.553.70000112.1F164 F208 T209F164-S283 VanDerWaalsContact O-CA 3.23Å; F164-S283 WeakPolarHBondContact O-CA 3.45Å; F164-S283 VanDerWaalsContact O-CB 3.23Å; F164-S283 WeakPolarHBondContact O-CB 3.44Å; F208-S283 WeakPolarHBondContact CA-O 3.28Å; T209-S283 VanDerWaalsContact CG2-OG 3.24Å; T209-S283 WeakPolarHBondContact CG2-OG 3.2Å; T209-S283 PolarHBondContact N-O 3.44Å; T209-S283 PolarHBondContact O-N 3.01Å
284G98.8Very high92.3Very high1 Ų161.1 Ų61.11%0.0131%0.307CS..EExtended strand (participates in β ladder)trans-170.9163.8170.900000112.4A163 F164 F207A163-G284 CarbonylContact C-O 3.5Å; A163-G284 VanDerWaalsContact CA-O 3.32Å; A163-G284 WeakPolarHBondContact CA-O 3.38Å; F164-G284 WeakPolarHBondContact CD1-O 3.48Å; F164-G284 VanDerWaalsContact CE1-N 3.31Å; F164-G284 PolarHBondContact N-O 3.37Å; F164-G284 PolarHBondContact O-N 2.95Å; F164-G284 VanDerWaalsContact O-N 3.11Å; F207-G284 CarbonylContact O-C 3.59Å; F207-G284 WeakPolarHBondContact O-CA 3.46Å
285F98.8Very high93.9Very high93 Ų9363.8 Ų63.841%0.40832%0.315SS..EExtended strand (participates in β ladder)trans-156.2158.2179.356.3-91.9000111I162 A163 Y206 F207 I287I162-F285 VanDerWaalsContact O-CA 3.22Å; I162-F285 WeakPolarHBondContact O-CA 3.39Å; I162-F285 WeakPolarHBondContact O-CB 3.22Å; A163-F285 HydrophobicContact CB-CB 3.8Å; Y206-F285 WeakPolarHBondContact CA-O 3.18Å; F207-F285 HydrophobicContact CB-CE1 4.2Å; F207-F285 HydrophobicContact CB-CE2 4.1Å; F207-F285 HydrophobicContact CB-CZ 3.92Å; F207-F285 HydrophobicContact CD1-CD1 4.1Å; F207-F285 AromaticContact CD1-CE1 3.38Å; F207-F285 HydrophobicContact CD1-CE1 3.38Å; F207-F285 AromaticContact CD1-CZ 3.72Å; F207-F285 HydrophobicContact CD1-CZ 3.72Å; F207-F285 HydrophobicContact CE1-CE1 4.11Å; F207-F285 HydrophobicContact CG-CE1 4.14Å; F207-F285 HydrophobicContact CG-CZ 4.06Å; F207-F285 PolarHBondContact N-O 3.13Å; F207-F285 PolarHBondContact O-N 3.06Å; F285-I287 HydrophobicContact CE2-CG1 4.26Å
286I98.3Very high95.3Very high23 Ų2362.4 Ų62.412%0.11831%0.306CS..EExtended strand (participates in β ladder)trans-75.3135.2173.2-166.3169.4000110.5I162 I202 Y206 V289I162-I286 HydrophobicContact CB-CB 4.21Å; I162-I286 HydrophobicContact CB-CG2 3.92Å; I162-I286 PolarHBondContact O-N 3.38Å; I202-I286 HydrophobicContact CG2-CD1 4.47Å; Y206-I286 HydrophobicContact CD1-CB 3.86Å; Y206-I286 HydrophobicContact CD1-CG1 4.2Å; Y206-I286 HydrophobicContact CE1-CB 3.6Å; Y206-I286 HydrophobicContact CE1-CD1 4.07Å; Y206-I286 HydrophobicContact CE1-CG1 3.84Å; Y206-I286 HydrophobicContact CE2-CD1 4.3Å; Y206-I286 HydrophobicContact CE2-CG1 4.27Å; I286-V289 HydrophobicContact CD1-CG2 3.5Å; I286-V289 HydrophobicContact CG1-CG2 4.5Å
287I97.9Very high96.3Very high65 Ų6558.8 Ų58.833%0.33329%0.285SS..EExtended strand (participates in β ladder)trans-97.9-54.5174.9-46.3-178.6000109.5I205 F207 V253 F285I205-I287 HydrophobicContact CG2-CB 4.39Å; I205-I287 HydrophobicContact CG2-CD1 4.04Å; I205-I287 HydrophobicContact CG2-CG1 4.49Å; I205-I287 WeakPolarHBondContact O-CA 3.36Å; I205-I287 WeakPolarHBondContact O-CB 3.38Å; I205-I287 PolarHBondContact O-N 3.33Å; F207-I287 HydrophobicContact CB-CD1 3.93Å; F207-I287 HydrophobicContact CB-CG1 4.12Å; V253-I287 HydrophobicContact CG1-CD1 3.99Å; V253-I287 HydrophobicContact CG2-CD1 4.3Å; F285-I287 HydrophobicContact CE2-CG1 4.26Å
288Y96.3Very high96.9Very high161 Ų16155.8 Ų55.863%0.63127%0.267SS*.EExtended strand (participates in β ladder)trans-134.8141.2-177.9-58.8-62000109.9G204 I205G204-Y288 CarbonylContact C-O 3.55Å; G204-Y288 WeakPolarHBondContact CA-O 3.31Å; I205-Y288 HydrophobicContact CB-CD2 4.32Å; I205-Y288 PolarHBondContact N-O 3.45Å; I205-Y288 PolarHBondContact O-N 3.23Å
289V95.8Very high97.2Very high62 Ų6256.7 Ų56.738%0.37627%0.272SS..EExtended strand (participates in β ladder)trans-94.5140.9167.9-178.90000106.9P160 I202 I286P160-V289 HydrophobicContact CB-CG2 4.21Å; P160-V289 HydrophobicContact CG-CG2 3.81Å; I202-V289 HydrophobicContact CG2-CG1 3.74Å; I202-V289 HydrophobicContact CG2-CG2 4.29Å; I286-V289 HydrophobicContact CD1-CG2 3.5Å; I286-V289 HydrophobicContact CG1-CG2 4.5Å
290D93.1Very high97.4Very high139 Ų13953.1 Ų53.174%0.74326%0.263SS*.  trans-67.30176.1-69-10.3000113.5P203 G204 H255P203-D290 HydrophobicContact CB-CB 4.35Å; P203-D290 HydrophobicContact CG-CB 4.49Å; P203-D290 PolarHBondContact O-N 3.5Å; G204-D290 WeakPolarHBondContact CA-OD1 3.33Å; H255-D290 IonicContact CD2-OD1 2.67Å; H255-D290 IonicContact CD2-OD2 2.73Å; H255-D290 IonicContact CE1-OD2 3.86Å; H255-D290 IonicContact NE2-OD1 3.37Å; H255-D290 IonicContact NE2-OD2 2.93Å; H255-D290 PolarHBondContact NE2-OD2 3.13Å

Retrieved 290 of 290 residues in 457.3 ms (Link to these results)