A0A024RAG6_HUMAN Loading...

Complement C1q subcomponent subunit A

AlphaFold DB (P02745), UniProt , Accession A0A024RAG6, Species HUMAN (Homo sapiens, Human), Gene ADIC, Length 245 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.3Very low62.5Low247 Ų247135.1 Ų135.1100%1.21771%0.71SS**  082.10-75.2172.3162.300107.2G3M1-G3 PolarHBondContact O-N 2.62Å
2E48.6Very low63.2Low205 Ų205132.3 Ų132.396%0.95870%0.702SS**  trans-75.8113.2177.6-79.1176.113500108.6
3G51.1Low63.7Low52 Ų52129.4 Ų129.454%0.53669%0.686SS.*  trans-72.3167.5-173.100000113.6M1 R5M1-G3 PolarHBondContact O-N 2.62Å; G3-R5 PolarHBondContact O-N 2.88Å
4P58.8Low63.7Low113 Ų113124.5 Ų124.573%0.73467%0.673SS**THydrogen-bonded Turntrans-73.524.1-167.432.2-36.3000114.5G6P4-G6 VanDerWaalsContact C-N 3.34Å; P4-G6 PolarHBondContact O-N 3.36Å
5R63.5Low63.5Low213 Ų213124 Ų12480%0.80467%0.668SS**Hα-helixtrans-72.8-26.3-177.4-134.6176.9-178-179.2-0.1112.6G3 V9G3-R5 PolarHBondContact O-N 2.88Å; R5-V9 WeakPolarHBondContact O-CG2 3.44Å
6G65.8Low63.3Low49 Ų49120.4 Ų120.451%0.50566%0.655SS.*Hα-helixtrans-67.3-35.4177.900000113.8P4 L10P4-G6 VanDerWaalsContact C-N 3.34Å; P4-G6 PolarHBondContact O-N 3.36Å; G6-L10 PolarHBondContact O-N 3.17Å
7W68.7Low62.8Low209 Ų209121.4 Ų121.479%0.79266%0.659SS**Hα-helixtrans-73.2-35.9-179-105.46.3000113.5V9 L10 C11W7-V9 VanDerWaalsContact C-N 3.31Å; W7-V9 PolarHBondContact O-N 3.17Å; W7-L10 PolarHBondContact O-N 3.44Å; W7-C11 PolarHBondContact O-N 3.36Å
8L73.3Confident62.2Low123 Ų123118.7 Ų118.764%0.64466%0.656SS**Hα-helixtrans-64.5-37.6176.3-71.9171.6000111.8C11 V12L8-C11 PolarHBondContact O-N 3.17Å; L8-V12 WeakPolarHBondContact O-CG2 3.47Å; L8-V12 PolarHBondContact O-N 3.3Å; L8-V12 VanDerWaalsContact O-N 3.12Å
9V74.5Confident61.6Low88 Ų88117.4 Ų117.453%0.53366%0.656SS.*Hα-helixtrans-68-41178.1178.30000111.3R5 W7 V12 L13R5-V9 WeakPolarHBondContact O-CG2 3.44Å; W7-V9 VanDerWaalsContact C-N 3.31Å; W7-V9 PolarHBondContact O-N 3.17Å; V9-V12 PolarHBondContact O-N 3.37Å; V9-L13 HydrophobicContact CG1-CD1 3.97Å; V9-L13 WeakPolarHBondContact O-CB 3.43Å; V9-L13 PolarHBondContact O-N 3.43Å
10L73.4Confident60.9Low114 Ų114119.1 Ų119.160%0.59766%0.661SS**Hα-helixtrans-62.9-42.2175.6-90.3156.9000112.7G6 W7 L13 A14G6-L10 PolarHBondContact O-N 3.17Å; W7-L10 PolarHBondContact O-N 3.44Å; L10-L13 PolarHBondContact O-N 3.34Å; L10-A14 WeakPolarHBondContact O-CB 3.25Å; L10-A14 PolarHBondContact O-N 3.5Å
11C70.9Confident60.4Low73 Ų73119.5 Ų119.549%0.49367%0.666SS.*Hα-helixtrans-66.8-40.6177.7-720000112.5W7 L8 L13 A14 I15W7-C11 PolarHBondContact O-N 3.36Å; L8-C11 PolarHBondContact O-N 3.17Å; C11-L13 VanDerWaalsContact C-N 3.35Å; C11-A14 PolarHBondContact O-N 3.45Å; C11-I15 VanDerWaalsContact O-CG1 3.25Å; C11-I15 WeakPolarHBondContact O-CG1 3.37Å; C11-I15 PolarHBondContact O-N 3.47Å
12V70.4Confident61.1Low101 Ų101112 Ų11261%0.61263%0.634SS**Hα-helixtrans-67.1-37.5177.3175.90000111.3L8 V9 I15 S16L8-V12 WeakPolarHBondContact O-CG2 3.47Å; L8-V12 PolarHBondContact O-N 3.3Å; L8-V12 VanDerWaalsContact O-N 3.12Å; V9-V12 PolarHBondContact O-N 3.37Å; V12-I15 PolarHBondContact O-N 3.4Å; V12-S16 PolarHBondContact O-N 3.45Å; V12-S16 PolarHBondContact O-OG 3.47Å
13L70.5Confident61.4Low95 Ų95111.4 Ų111.450%0.49763%0.631SS.*Hα-helixtrans-64.1-41.2172.1-85.2158.6000112.2V9 L10 C11 S16 L17V9-L13 HydrophobicContact CG1-CD1 3.97Å; V9-L13 WeakPolarHBondContact O-CB 3.43Å; V9-L13 PolarHBondContact O-N 3.43Å; L10-L13 PolarHBondContact O-N 3.34Å; C11-L13 VanDerWaalsContact C-N 3.35Å; L13-S16 PolarHBondContact O-N 3.37Å; L13-S16 PolarHBondContact O-OG 3.36Å; L13-S16 VanDerWaalsContact O-OG 3.07Å; L13-L17 WeakPolarHBondContact O-CB 3.33Å; L13-L17 WeakPolarHBondContact O-CD1 3.48Å; L13-L17 PolarHBondContact O-N 3.17Å; L13-L17 VanDerWaalsContact O-N 3.07Å
14A63.2Low61.5Low61 Ų61115.1 Ų115.150%0.50464%0.639SS.*Hα-helixtrans-67-36178.300000112.7L10 C11 A18L10-A14 WeakPolarHBondContact O-CB 3.25Å; L10-A14 PolarHBondContact O-N 3.5Å; C11-A14 PolarHBondContact O-N 3.45Å; A14-A18 PolarHBondContact O-N 3.37Å
15I60Low61.5Low117 Ų117117.5 Ų117.560%0.665%0.645SS**Hα-helixtrans-75.6-35.6178.9-62.8168.8000111.1C11 V12 L17 A18C11-I15 VanDerWaalsContact O-CG1 3.25Å; C11-I15 WeakPolarHBondContact O-CG1 3.37Å; C11-I15 PolarHBondContact O-N 3.47Å; V12-I15 PolarHBondContact O-N 3.4Å; I15-L17 VanDerWaalsContact C-N 3.33Å; I15-A18 PolarHBondContact O-N 3.28Å
16S60.1Low61.6Low66 Ų66113.4 Ų113.446%0.46265%0.647SS.*Hα-helixtrans-70.9-29.3174.663.60000112.9V12 L13 A18V12-S16 PolarHBondContact O-N 3.45Å; V12-S16 PolarHBondContact O-OG 3.47Å; L13-S16 PolarHBondContact O-N 3.37Å; L13-S16 PolarHBondContact O-OG 3.36Å; L13-S16 VanDerWaalsContact O-OG 3.07Å; S16-A18 VanDerWaalsContact C-N 3.31Å; S16-A18 PolarHBondContact O-N 3.49Å
17L55.9Low61.4Low137 Ų137120.6 Ų120.672%0.71766%0.659SS**Hα-helixtrans-68.9-26.4171.8-86.7152.9000113.1L13 I15L13-L17 WeakPolarHBondContact O-CB 3.33Å; L13-L17 WeakPolarHBondContact O-CD1 3.48Å; L13-L17 PolarHBondContact O-N 3.17Å; L13-L17 VanDerWaalsContact O-N 3.07Å; I15-L17 VanDerWaalsContact C-N 3.33Å
18A52.1Low61.3Low74 Ų74114.3 Ų114.361%0.61265%0.652SS**Hα-helixtrans-83-14.8-179.900000114.4A14 I15 S16A14-A18 PolarHBondContact O-N 3.37Å; I15-A18 PolarHBondContact O-N 3.28Å; S16-A18 VanDerWaalsContact C-N 3.31Å; S16-A18 PolarHBondContact O-N 3.49Å
19S50.6Low60.9Low93 Ų93114.5 Ų114.565%0.6566%0.66SS**THydrogen-bonded Turntrans-100.13.8180-62.70000114.7V21S19-V21 VanDerWaalsContact C-N 3.28Å; S19-V21 PolarHBondContact O-N 3.34Å
20M47.9Very low60.7Low152 Ų152116.9 Ų116.975%0.74967%0.67SS**  trans-93.947.2171.8-66.2-82.6129.300110.9T22M20-T22 PolarHBondContact O-N 2.77Å; M20-T22 VanDerWaalsContact O-N 3.08Å
21V50.2Low60.3Low128 Ų128115 Ų11578%0.77668%0.678SS**  trans-79.288.4160.21800000105.6S19 E23S19-V21 VanDerWaalsContact C-N 3.28Å; S19-V21 PolarHBondContact O-N 3.34Å; V21-E23 PolarHBondContact O-N 3.48Å
22T53.3Low60Low88 Ų88121.1 Ų121.154%0.5470%0.696SS.*  trans-50.3121.8-179.450.70000111M20 D24M20-T22 PolarHBondContact O-N 2.77Å; M20-T22 VanDerWaalsContact O-N 3.08Å; T22-D24 PolarHBondContact O-N 3.41Å
23E55.1Low59.7Low193 Ų193126.1 Ų126.190%0.90271%0.71SS**G310 helixtrans-60.11171.5-74.1-178.2133.900113.7V21 L25V21-E23 PolarHBondContact O-N 3.48Å; E23-L25 VanDerWaalsContact C-N 3.33Å; E23-L25 PolarHBondContact O-N 2.93Å
24D52.9Low59.4Low130 Ų130124.2 Ų124.270%0.69571%0.713SS**G310 helixtrans-830.6-177.6-69.5-38.4000114.7T22 C26T22-D24 PolarHBondContact O-N 3.41Å; D24-C26 PolarHBondContact O-N 3.4Å
25L59.5Low59.5Low164 Ų164130.2 Ų130.286%0.85973%0.731SS**G310 helixtrans-68.7-15.6-177.3-152.775.1000113.9E23E23-L25 VanDerWaalsContact C-N 3.33Å; E23-L25 PolarHBondContact O-N 2.93Å
26C64.9Low59.8Low127 Ų127129.5 Ų129.586%0.85874%0.742SS**G310 helixtrans-102.32.6-174.1-67.40000115D24 A28D24-C26 PolarHBondContact O-N 3.4Å; C26-A28 PolarHBondContact O-N 3.29Å
27R62.5Low59.8Low199 Ų199129.1 Ų129.175%0.75175%0.749SS**  trans-88.6103.7178.5-162.7170.6-177.7-172.4-1.8110.7
28A66.5Low60.2Low77 Ų77133.7 Ų133.764%0.63676%0.756SS**PPolyproline II helixtrans-61.3137.3169.700000109.8C26C26-A28 PolarHBondContact O-N 3.29Å
29P65.3Low61Low127 Ų127136.1 Ų136.183%0.82577%0.766SS**PPolyproline II helixtrans-59139.2176.4-2130.5000111.3
30D69.1Low61.4Low138 Ų138134.3 Ų134.374%0.73876%0.762SS**PPolyproline II helixtrans-59.7140173.8-67.1-40000110.5
31G65.2Low62.2Low74 Ų74138.6 Ų138.676%0.76377%0.77SS**PPolyproline II helixtrans-61141-18000000112K33G31-K33 PolarHBondContact O-N 3.35Å
32K65.7Low62.8Low202 Ų202144.2 Ų144.288%0.87878%0.777SS**PPolyproline II helixtrans-57.5134.2176.9-69.2-174.7178.4-179.80110.3G34K32-G34 PolarHBondContact O-N 3.08Å
33K63.5Low62.9Low206 Ų206142.6 Ų142.690%0.89678%0.778SS**PPolyproline II helixtrans-58.5134.6172.1-168.4175.4-177.4178.60109.1G31G31-K33 PolarHBondContact O-N 3.35Å
34G63Low63.3Low55 Ų55144.5 Ų144.557%0.56778%0.777SS**PPolyproline II helixtrans-60149.4177.800000112.3K32K32-G34 PolarHBondContact O-N 3.08Å
35E66Low63.9Low188 Ų188144.2 Ų144.288%0.87978%0.782SS**PPolyproline II helixtrans-62.4148.4176.3-65.3-173.2165.900111.5
36A66.4Low63.7Low101 Ų101139.2 Ų139.284%0.83577%0.77SS**PPolyproline II helixtrans-65141.5175.500000111
37G59.2Low63.6Low58 Ų58141.6 Ų141.660%0.59877%0.773SS**PPolyproline II helixtrans-61.3148.9175.400000112.4
38R65.9Low63.6Low233 Ų233141.8 Ų141.888%0.87978%0.78SS**PPolyproline II helixtrans-62.3147.1176.3-74.1-178.2170.4166.2-2.3111.2
39P68.4Low63.2Low126 Ų126140.9 Ų140.982%0.81878%0.777SS**PPolyproline II helixtrans-55.4146.4172.7-24.633.6000112.7
40G59.3Low63.1Low55 Ų55144.1 Ų144.157%0.56778%0.782SS**PPolyproline II helixtrans-63158.1174.800000113.1
41R63.4Low62.8Low242 Ų242146.6 Ų146.691%0.91379%0.789SS**PPolyproline II helixtrans-67148.3175.9-68.2-176176.3-168.3-1110.8
42R64.6Low62.5Low246 Ų246145.9 Ų145.993%0.92878%0.782SS**PPolyproline II helixtrans-59145.2171.4-71.9-173.8-176.5-169.71.5110.6
43G54.7Low62.3Low53 Ų53145.3 Ų145.355%0.54678%0.782SS.*PPolyproline II helixtrans-62.3157172.700000112.4
44R63.3Low62.3Low233 Ų233141.5 Ų141.588%0.87978%0.778SS**PPolyproline II helixtrans-70.6150.6175-71.7-177.9177.8175.5-1110.7
45P64.9Low62.2Low125 Ų125142.2 Ų142.281%0.81279%0.785SS**PPolyproline II helixtrans-55.5148.5168.6-22.733.4000111.8
46G55.9Low61.9Low59 Ų59137.8 Ų137.861%0.60878%0.781SS**PPolyproline II helixtrans-64.9160172.200000112.3
47L62Low61.8Low176 Ų176139 Ų13992%0.92178%0.78SS**PPolyproline II helixtrans-69.1148.1174.5-65.8172.5000110.4
48K64Low61.7Low204 Ų204139.8 Ų139.889%0.88779%0.789SS**PPolyproline II helixtrans-64.1138.4171.5-172.9-179.1176.7-176.50108.9
49G57Low60.9Low57 Ų57136.7 Ų136.759%0.58879%0.788SS**PPolyproline II helixtrans-59.9152.2173.900000112.3
50E63Low60Low196 Ų196142.1 Ų142.192%0.91679%0.792SS**PPolyproline II helixtrans-68.3151.5176.8-64.2-172.4159.600111.2
51Q64.4Low59.6Low190 Ų190145 Ų14589%0.88880%0.799SS**PPolyproline II helixtrans-69.8132.8175.5179.6174.5-20.300109.3
52G57.4Low59.1Low59 Ų59137.9 Ų137.961%0.60880%0.801SS**PPolyproline II helixtrans-58.9147.5177.100000112.6
53E61.6Low58.2Low189 Ų189133.2 Ų133.288%0.88379%0.793SS**PPolyproline II helixtrans-63.4145.3179.2-66-169.3136.200111.6
54P64.2Low58Low126 Ų126139.7 Ų139.782%0.81881%0.809SS**PPolyproline II helixtrans-57.5138.5172.2-22.433000111.8
55G60.4Low57.5Low70 Ų70131.6 Ų131.672%0.72280%0.798SS**PPolyproline II helixtrans-59.4147.5176.400000112.9
56A60.8Low57Low95 Ų95133.8 Ų133.879%0.78580%0.802SS**PPolyproline II helixtrans-61.1143.8179.500000112G58A56-G58 PolarHBondContact O-N 3.27Å
57P63.1Low57.2Low126 Ų126140.6 Ų140.682%0.81882%0.815SS**PPolyproline II helixtrans-59.6129.4175.1-19.430.1000111.5
58G57.7Low57.1Low76 Ų76135.1 Ų135.178%0.78480%0.801SS**PPolyproline II helixtrans-64.4138.917900000113.2A56A56-G58 PolarHBondContact O-N 3.27Å
59I48.6Very low56.9Low168 Ų168133.1 Ų133.186%0.86280%0.8SS**PPolyproline II helixtrans-73.1131.2172.4-65.8172.3000109.1T61I59-T61 PolarHBondContact O-N 3.33Å
60R49.8Very low57.2Low240 Ų240139.5 Ų139.591%0.90682%0.815SS**  trans-56.2107.1-172.5-72175.5166.7126.3-4.2113.9
61T50.1Low57.1Low115 Ų115133 Ų13371%0.70680%0.8SS**  trans-140.565.6153.748.10000110.9I59 I63I59-T61 PolarHBondContact O-N 3.33Å; T61-I63 PolarHBondContact O-N 3.5Å
62G53.6Low57.1Low93 Ų93132.9 Ų132.996%0.95980%0.799SS**SBendtrans57-8.2157.400000120.2
63I46.2Very low57.5Low148 Ų148136 Ų13676%0.75981%0.808SS**SBendtrans-117124.1-175.9-57.2172.1000104.9T61 G65T61-I63 PolarHBondContact O-N 3.5Å; I63-G65 PolarHBondContact O-N 3.5Å
64Q49.5Very low57.4Low188 Ų188129.6 Ų129.688%0.87979%0.794SS**  trans-56.1105.5177.1-174.617319.200108.4L66Q64-L66 PolarHBondContact O-N 3.07Å
65G54Low57.4Low63 Ų63129.8 Ų129.865%0.64980%0.795SS**PPolyproline II helixtrans-57.7133178.400000109.3I63 K67I63-G65 PolarHBondContact O-N 3.5Å; G65-K67 PolarHBondContact O-N 3.04Å
66L53.4Low57.7Low172 Ų172132.1 Ų132.190%0.90180%0.8SS**PPolyproline II helixtrans-53.9133.4176.7-69.3169.2000108.9Q64 G68Q64-L66 PolarHBondContact O-N 3.07Å; L66-G68 PolarHBondContact O-N 3Å; L66-G68 VanDerWaalsContact O-N 3.17Å
67K59.8Low57.7Low201 Ų201130.3 Ų130.387%0.87479%0.79SS**PPolyproline II helixtrans-50.3123.5174.2-179.8-179179-176.70107.5G65 D69G65-K67 PolarHBondContact O-N 3.04Å; K67-D69 PolarHBondContact O-N 3.48Å
68G60.1Low57.8Low61 Ų61131.4 Ų131.463%0.62979%0.79SS**PPolyproline II helixtrans-52.8138.6179.500000110.7L66L66-G68 PolarHBondContact O-N 3Å; L66-G68 VanDerWaalsContact O-N 3.17Å
69D60.5Low58.2Low163 Ų163133.6 Ų133.687%0.87279%0.79SS**PPolyproline II helixtrans-56.2144.9-178.2-68.5-36.2000110.7K67 G71K67-D69 PolarHBondContact O-N 3.48Å; D69-G71 PolarHBondContact O-N 3.29Å; D69-G71 VanDerWaalsContact O-N 3.17Å
70Q63.9Low59Low191 Ų191128 Ų12889%0.89377%0.774SS**PPolyproline II helixtrans-58.8122.1175.1179.6174-6.400108.6
71G59.7Low59.9Low58 Ų58126.2 Ų126.260%0.59877%0.772SS**PPolyproline II helixtrans-54.5142.3177.800000111.5D69D69-G71 PolarHBondContact O-N 3.29Å; D69-G71 VanDerWaalsContact O-N 3.17Å
72E63.7Low60.9Low188 Ų188127.5 Ų127.588%0.87978%0.78SS**PPolyproline II helixtrans-56.7142.5-178.8-65.1-169.9131.700111G74E72-G74 PolarHBondContact O-N 2.93Å
73P65.8Low61.5Low124 Ų124125 Ų12581%0.80576%0.755SS**PPolyproline II helixtrans-54.4131173.3-23.833.2000110.9
74G60.7Low62.7Low56 Ų56128.3 Ų128.358%0.57776%0.759SS**PPolyproline II helixtrans-57.3151.2175.900000112E72E72-G74 PolarHBondContact O-N 2.93Å
75P64Low63.9Low130 Ų130125.1 Ų125.184%0.84476%0.755SS**PPolyproline II helixtrans-59.7145-176.924.3-33.4000111.5G77P75-G77 PolarHBondContact O-N 3.07Å
76S66.1Low64.8Low119 Ų119124.2 Ų124.283%0.83275%0.745SS**PPolyproline II helixtrans-52.9132.4174.4-70.20000110.8
77G61.3Low66Low56 Ų56121.7 Ų121.758%0.57774%0.739SS**PPolyproline II helixtrans-58.2142.7177.100000111.9P75P75-G77 PolarHBondContact O-N 3.07Å
78N64.7Low66.9Low150 Ų150117.9 Ų117.980%0.80274%0.738SS**PPolyproline II helixtrans-55.6143.1178.4-71.5-29.1000111.2G80N78-G80 PolarHBondContact O-N 3.2Å
79P67.4Low67.8Low122 Ų122117.2 Ų117.279%0.79273%0.731SS**PPolyproline II helixtrans-52.1138.5173.6-25.333.3000111.5
80G64.6Low68.9Low50 Ų50115.4 Ų115.452%0.51573%0.728SS.*PPolyproline II helixtrans-57.1142.9173.800000111N78 V82N78-G80 PolarHBondContact O-N 3.2Å; G80-V82 PolarHBondContact O-N 3.06Å
81K68.1Low69.8Low202 Ų202114.9 Ų114.988%0.87873%0.731SS**PPolyproline II helixtrans-54.9139.4177.1-64.8-176.5179.9-178.10110.2G83K81-G83 PolarHBondContact O-N 3.48Å
82V71Confident70.8Confident142 Ų142115.2 Ų115.286%0.86173%0.734SS**PPolyproline II helixtrans-55.4131.4172.8-179.30000108.4G80G80-V82 PolarHBondContact O-N 3.06Å
83G65.9Low71.9Confident42 Ų42111.2 Ų111.243%0.43373%0.733SS.*PPolyproline II helixtrans-60144.9178.800000111.3K81K81-G83 PolarHBondContact O-N 3.48Å
84Y72.6Confident72.7Confident216 Ų216117 Ų11785%0.84774%0.738SS**PPolyproline II helixtrans-56.8145.2175.9-68.3-79000111.1G86Y84-G86 PolarHBondContact O-N 3.43Å
85P73.6Confident73.9Confident122 Ų122117.2 Ų117.279%0.79274%0.741SS**PPolyproline II helixtrans-51.9140.9170.1-24.733.7000110.8
86G74.8Confident75Confident43 Ų43118.8 Ų118.844%0.44374%0.74SS.*PPolyproline II helixtrans-60153.8172.600000111.1Y84Y84-G86 PolarHBondContact O-N 3.43Å
87P78.4Confident76Confident120 Ų120118.7 Ų118.778%0.77974%0.737SS**PPolyproline II helixtrans-59.2149.4175.226.6-34.1000110.7
88S78.8Confident77.3Confident121 Ų121119.5 Ų119.585%0.84675%0.746SS**PPolyproline II helixtrans-53.7139.8172.3-61.60000110.6
89G79.2Confident78.5Confident47 Ų47120.5 Ų120.549%0.48575%0.749SS.*PPolyproline II helixtrans-58.9154.9173.800000111.7
90P83.4Confident79.6Confident125 Ų125124 Ų12481%0.81275%0.752SS**PPolyproline II helixtrans-59.8147.4177.226.3-33.8000110.9G92P90-G92 PolarHBondContact O-N 3.44Å
91L81.1Confident80.8Confident180 Ų180124.8 Ų124.894%0.94276%0.76SS**PPolyproline II helixtrans-55.2136.9169.7-82.7151.8000109.5
92G82.2Confident81.9Confident65 Ų65121.8 Ų121.867%0.6776%0.759SS**PPolyproline II helixtrans-57.5149.7176.200000111.4P90P90-G92 PolarHBondContact O-N 3.44Å
93A86Confident82.8Confident103 Ų103124.8 Ų124.885%0.85176%0.76SS**PPolyproline II helixtrans-57.4141.9176.600000110.6G95A93-G95 PolarHBondContact O-N 3.03Å
94R83.3Confident83.8Confident245 Ų245125.7 Ų125.793%0.92577%0.769SS**PPolyproline II helixtrans-57.9137.2173.9-172.6176.6-179.81740.8109.2
95G84.7Confident84.4Confident61 Ų61120.8 Ų120.863%0.62977%0.767SS**PPolyproline II helixtrans-54.9147.3175.300000112A93A93-G95 PolarHBondContact O-N 3.03Å
96I88.4Confident84.7Confident163 Ų163121 Ų12184%0.83677%0.768SS**PPolyproline II helixtrans-61.8137.1178.9-56.1172.8000108.4
97P87.4Confident84.8Confident117 Ų117122 Ų12276%0.7678%0.778SS**PPolyproline II helixtrans-52.9142.5173.1-25.834.4000112
98G88.8Confident84.9Confident74 Ų74120 Ų12076%0.76376%0.761SS**PPolyproline II helixtrans-59150.7174.900000112K100G98-K100 PolarHBondContact O-N 3.12Å
99I89.9Confident84.8Confident170 Ų170120.6 Ų120.687%0.87275%0.754SS**PPolyproline II helixtrans-64.1135.8179-53.4172000108.6G101I99-G101 PolarHBondContact O-N 3.45Å
100K90Very high84.8Confident196 Ų196126.8 Ų126.885%0.85277%0.767SS**PPolyproline II helixtrans-60133.3174.3-173.5176.8-179.61770109.5G98G98-K100 PolarHBondContact O-N 3.12Å
101G90.4Very high84.8Confident66 Ų66127 Ų12768%0.6876%0.761SS**PPolyproline II helixtrans-55.1148.917600000112.5I99I99-G101 PolarHBondContact O-N 3.45Å
102T91.4Very high85.2Confident140 Ų140123.8 Ų123.886%0.85974%0.742SS**PPolyproline II helixtrans-64143177.950.10000110.8G104T102-G104 PolarHBondContact O-N 3.49Å
103K89.2Confident85.7Confident204 Ų204123.1 Ų123.189%0.88773%0.725SS**PPolyproline II helixtrans-61.5136.7170.6-171.3179.4179.4-179.70109
104G86.6Confident86.1Confident61 Ų61125 Ų12563%0.62971%0.71SS**PPolyproline II helixtrans-59.3154.4173.200000112.1T102T102-G104 PolarHBondContact O-N 3.49Å
105S84.2Confident86.8Confident114 Ų114113.3 Ų113.380%0.79767%0.666SS**PPolyproline II helixtrans-63.4143.3174.543.40000110.8
106P81.4Confident87.4Confident126 Ų126111.4 Ų111.482%0.81865%0.645SS**PPolyproline II helixtrans-58.5138.1167.3-20.332.1000110.3
107G76.6Confident87.9Confident63 Ų63103.8 Ų103.865%0.64961%0.606SS**PPolyproline II helixtrans-63136.7170.500000110.5I109G107-I109 PolarHBondContact O-N 3.07Å
108N81.2Confident88.4Confident79 Ų7999.7 Ų99.742%0.42258%0.58SS.*  trans-82.1111.8172.7179.38.2000109.1K110 D111N108-K110 PolarHBondContact O-N 3.37Å; N108-K110 VanDerWaalsContact O-N 3.15Å; N108-K110 WeakPolarHBondContact OD1-CB 3.21Å; N108-K110 PolarHBondContact OD1-N 3.09Å; N108-K110 VanDerWaalsContact OD1-N 3.07Å; N108-D111 HydrophobicContact CB-CB 4.33Å; N108-D111 WeakPolarHBondContact CB-OD2 3.4Å; N108-D111 PolarHBondContact ND2-OD1 3.33Å; N108-D111 VanDerWaalsContact ND2-OD1 3.09Å; N108-D111 PolarHBondContact ND2-OD2 2.98Å; N108-D111 PolarHBondContact O-N 3.43Å
109I75.8Confident88.9Confident134 Ų13496.2 Ų96.269%0.68754%0.543SS*.G310 helixtrans-58.2-28.2179.8-62.3170.1000111.3G107 D111 Q112G107-I109 PolarHBondContact O-N 3.07Å; I109-D111 PolarHBondContact O-N 2.81Å; I109-Q112 PolarHBondContact O-N 3.15Å
110K78.4Confident89.3Confident177 Ų17788.5 Ų88.577%0.7750%0.504SS*.G310 helixtrans-70.4-20177.8-64.3-174.8177.6-178.10113.6N108 Q112N108-K110 PolarHBondContact O-N 3.37Å; N108-K110 VanDerWaalsContact O-N 3.15Å; N108-K110 WeakPolarHBondContact OD1-CB 3.21Å; N108-K110 PolarHBondContact OD1-N 3.09Å; N108-K110 VanDerWaalsContact OD1-N 3.07Å; K110-Q112 VanDerWaalsContact C-N 3.33Å
111D84.2Confident89.6Confident128 Ų12880.9 Ų80.968%0.68447%0.47SS*.G310 helixtrans-92-0.8-179.5-57.5-20.7000111.6N108 I109N108-D111 HydrophobicContact CB-CB 4.33Å; N108-D111 WeakPolarHBondContact CB-OD2 3.4Å; N108-D111 PolarHBondContact ND2-OD1 3.33Å; N108-D111 VanDerWaalsContact ND2-OD1 3.09Å; N108-D111 PolarHBondContact ND2-OD2 2.98Å; N108-D111 PolarHBondContact O-N 3.43Å; I109-D111 PolarHBondContact O-N 2.81Å
112Q89Confident89.8Confident114 Ų11484.9 Ų84.953%0.53347%0.465SS..SBendtrans-88.5141.4177.4-66.7-176.5-18.600111.2I109 K110 R114I109-Q112 PolarHBondContact O-N 3.15Å; K110-Q112 VanDerWaalsContact C-N 3.33Å; Q112-R114 PolarHBondContact O-N 2.76Å
113P93Very high89.9Confident50 Ų5084.4 Ų84.433%0.32546%0.457SS..  trans-61.7137.8171.727-33.6000110.3V155 L240 P243P113-V155 HydrophobicContact CB-CB 4.41Å; P113-V155 HydrophobicContact CB-CG1 3.93Å; P113-V155 HydrophobicContact CB-CG2 3.86Å; P113-V155 HydrophobicContact CG-CG1 3.88Å; P113-L240 HydrophobicContact CB-CD2 4.26Å; P113-L240 HydrophobicContact CG-CD2 4.16Å; P113-P243 HydrophobicContact CG-CB 4.39Å; P113-P243 HydrophobicContact CG-CG 4.48Å
114R94.3Very high90.1Very high142 Ų14274.9 Ų74.954%0.53642%0.415SS..  trans-143.350.6-175.648.6-179.9-83.5-158.7-4.6111.8Q112 A116 Q140 E141Q112-R114 PolarHBondContact O-N 2.76Å; R114-A116 PolarHBondContact O-N 3.5Å; R114-Q140 VanDerWaalsContact CZ-OE1 3.3Å; R114-E141 WeakPolarHBondContact CG-OE1 3.46Å; R114-E141 PolarHBondContact N-OE1 2.9Å
115P97.5Very high90.4Very high0 Ų075.7 Ų75.70%041%0.41CS..  trans-65.6124.8176.626.6-30.8000109.7Q140 E141 P143 V155 Y159 F239 L240P115-Q140 WeakPolarHBondContact CA-O 3.48Å; P115-E141 HydrophobicContact CB-CB 4.2Å; P115-E141 VanDerWaalsContact CD-OE2 3.3Å; P115-E141 WeakPolarHBondContact CD-OE2 3.45Å; P115-P143 HydrophobicContact CB-CB 4.34Å; P115-P143 HydrophobicContact CB-CG 4.01Å; P115-V155 HydrophobicContact CG-CB 4.5Å; P115-Y159 HydrophobicContact CG-CE1 3.89Å; P115-Y159 VanDerWaalsContact CG-OH 3.27Å; P115-Y159 WeakPolarHBondContact CG-OH 3.34Å; P115-F239 WeakPolarHBondContact O-CA 3.37Å; P115-L240 HydrophobicContact CG-CB 3.84Å; P115-L240 HydrophobicContact CG-CD2 4.2Å; P115-L240 PolarHBondContact O-N 3.39Å
116A98.3Very high90.4Very high22 Ų2278.7 Ų78.718%0.18241%0.413CS..EExtended strand (participates in β ladder)trans-154.9138.6-177.400000110.9R114 N139 Q140 G238 F239R114-A116 PolarHBondContact O-N 3.5Å; A116-N139 CarbonylContact O-C 3.45Å; A116-N139 WeakPolarHBondContact O-CA 3.4Å; A116-Q140 PolarHBondContact N-O 2.82Å; A116-Q140 PolarHBondContact O-N 3.32Å; A116-G238 CarbonylContact C-O 3.5Å; A116-G238 VanDerWaalsContact CA-O 3.3Å; A116-G238 WeakPolarHBondContact CA-O 3.03Å; A116-F239 HydrophobicContact CB-CB 3.73Å
117F98.8Very high90.7Very high3 Ų375.5 Ų75.51%0.01340%0.403CS..EExtended strand (participates in β ladder)trans-140.9156178.478.6-80.2000112.4T138 N139 Y144 F151 F161 F236 S237 G238F117-T138 CarbonylContact C-O 3.52Å; F117-T138 WeakPolarHBondContact CA-O 3.41Å; F117-T138 WeakPolarHBondContact CB-O 3.49Å; F117-N139 HydrophobicContact CB-CB 4.47Å; F117-Y144 HydrophobicContact CB-CG 4.46Å; F117-Y144 HydrophobicContact CD2-CD1 4.04Å; F117-Y144 AromaticContact CD2-CD2 3.53Å; F117-Y144 HydrophobicContact CD2-CD2 3.53Å; F117-Y144 HydrophobicContact CD2-CE2 4.2Å; F117-Y144 AromaticContact CD2-CG 3.44Å; F117-Y144 HydrophobicContact CD2-CG 3.44Å; F117-Y144 VanDerWaalsContact CD2-CG 3.44Å; F117-Y144 HydrophobicContact CE1-CD2 4.36Å; F117-Y144 HydrophobicContact CE2-CD1 4.48Å; F117-Y144 AromaticContact CE2-CD2 3.32Å; F117-Y144 HydrophobicContact CE2-CD2 3.32Å; F117-Y144 AromaticContact CE2-CE2 3.68Å; F117-Y144 HydrophobicContact CE2-CE2 3.68Å; F117-Y144 AromaticContact CE2-CG 3.78Å; F117-Y144 HydrophobicContact CE2-CG 3.78Å; F117-Y144 HydrophobicContact CG-CD2 4.16Å; F117-Y144 AromaticContact CG-CG 3.92Å; F117-Y144 HydrophobicContact CG-CG 3.92Å; F117-Y144 AromaticContact CZ-CD2 3.79Å; F117-Y144 HydrophobicContact CZ-CD2 3.79Å; F117-Y144 HydrophobicContact CZ-CE2 4.26Å; F117-Y144 HydrophobicContact CZ-CG 4.49Å; F117-F151 AromaticContact CD1-CD2 3.67Å; F117-F151 HydrophobicContact CD1-CD2 3.67Å; F117-F151 HydrophobicContact CD1-CE2 4.25Å; F117-F151 HydrophobicContact CE1-CB 4.1Å; F117-F151 AromaticContact CE1-CD2 3.44Å; F117-F151 HydrophobicContact CE1-CD2 3.44Å; F117-F151 VanDerWaalsContact CE1-CD2 3.44Å; F117-F151 HydrophobicContact CE1-CE2 4.24Å; F117-F151 HydrophobicContact CE1-CG 4.12Å; F117-F151 HydrophobicContact CZ-CB 4.36Å; F117-F151 HydrophobicContact CZ-CD2 4.46Å; F117-F161 HydrophobicContact CE1-CD1 4.11Å; F117-F161 AromaticContact CE1-CE1 3.9Å; F117-F161 HydrophobicContact CE1-CE1 3.9Å; F117-F161 HydrophobicContact CZ-CD1 4.25Å; F117-F161 HydrophobicContact CZ-CE1 4.37Å; F117-F236 AromaticContact CE2-CD1 3.55Å; F117-F236 HydrophobicContact CE2-CD1 3.55Å; F117-F236 AromaticContact CE2-CE1 3.83Å; F117-F236 HydrophobicContact CE2-CE1 3.83Å; F117-F236 HydrophobicContact CE2-CG 4.13Å; F117-F236 AromaticContact CZ-CD1 3.68Å; F117-F236 HydrophobicContact CZ-CD1 3.68Å; F117-F236 AromaticContact CZ-CE1 3.46Å; F117-F236 HydrophobicContact CZ-CE1 3.46Å; F117-F236 VanDerWaalsContact CZ-CE1 3.46Å; F117-F236 HydrophobicContact CZ-CE2 4.5Å; F117-F236 HydrophobicContact CZ-CG 4.3Å; F117-F236 AromaticContact CZ-CZ 3.9Å; F117-F236 HydrophobicContact CZ-CZ 3.9Å; F117-S237 CarbonylContact O-C 3.48Å; F117-S237 WeakPolarHBondContact O-CA 3.41Å; F117-S237 WeakPolarHBondContact O-CB 3.43Å; F117-G238 WeakPolarHBondContact CD1-O 3.02Å; F117-G238 VanDerWaalsContact CE1-N 3.3Å; F117-G238 PolarHBondContact N-O 3.16Å; F117-G238 PolarHBondContact O-N 3.48Å
118S98.7Very high91.5Very high31 Ų3175.2 Ų75.222%0.21740%0.4CS..EExtended strand (participates in β ladder)trans-143.4129.5164.3-61.70000108I137 T138 F236 S237S118-I137 WeakPolarHBondContact O-CA 3.48Å; S118-I137 WeakPolarHBondContact O-CB 3.33Å; S118-I137 PolarHBondContact O-N 2.98Å; S118-T138 PolarHBondContact N-O 3Å; S118-T138 PolarHBondContact O-N 3.04Å; S118-T138 VanDerWaalsContact O-N 3.15Å; S118-F236 WeakPolarHBondContact CA-O 3.3Å; S118-S237 VanDerWaalsContact CB-OG 3.31Å; S118-S237 WeakPolarHBondContact CB-OG 3Å; S118-S237 WeakPolarHBondContact OG-CB 3.3Å; S118-S237 PolarHBondContact OG-OG 2.9Å
119A98.7Very high92.2Very high0 Ų074.9 Ų74.90%040%0.399CS..EExtended strand (participates in β ladder)trans-137.6147.9179.300000110.7F133 T135 Y144 V235 F236A119-F133 HydrophobicContact CB-CB 3.7Å; A119-F133 WeakPolarHBondContact O-CD1 3.27Å; A119-T135 CarbonylContact C-O 3.53Å; A119-T135 VanDerWaalsContact CA-O 3.29Å; A119-T135 WeakPolarHBondContact CA-O 3.19Å; A119-Y144 HydrophobicContact CB-CD1 3.96Å; A119-Y144 HydrophobicContact CB-CE1 3.5Å; A119-V235 CarbonylContact O-C 3.46Å; A119-V235 WeakPolarHBondContact O-CA 3.36Å; A119-V235 WeakPolarHBondContact O-CG2 3.46Å; A119-F236 PolarHBondContact N-O 2.71Å; A119-F236 PolarHBondContact O-N 3.29Å
120I97.9Very high93.2Very high9 Ų970.1 Ų70.15%0.04638%0.376CS..EExtended strand (participates in β ladder)trans-118.3162.2-177.652.8168000112.2R122 F133 D134 T135 I137 D233 S234 V235I120-R122 HydrophobicContact CD1-CG 4.01Å; I120-R122 HydrophobicContact CG1-CG 4.43Å; I120-F133 CarbonylContact O-C 3.57Å; I120-D134 PolarHBondContact O-N 3.15Å; I120-T135 HydrophobicContact CD1-CG2 4.15Å; I120-T135 HydrophobicContact CG1-CG2 3.92Å; I120-T135 WeakPolarHBondContact CG1-O 3.39Å; I120-T135 PolarHBondContact N-O 2.8Å; I120-T135 PolarHBondContact O-N 3.44Å; I120-I137 HydrophobicContact CD1-CG1 4.49Å; I120-I137 HydrophobicContact CG1-CD1 4.36Å; I120-I137 HydrophobicContact CG1-CG1 4.24Å; I120-I137 HydrophobicContact CG2-CD1 3.6Å; I120-I137 HydrophobicContact CG2-CG1 4.33Å; I120-D233 HydrophobicContact CB-CB 4.06Å; I120-D233 HydrophobicContact CD1-CB 4.32Å; I120-D233 WeakPolarHBondContact CD1-OD2 3.19Å; I120-D233 HydrophobicContact CG2-CB 4.02Å; I120-S234 CarbonylContact C-O 3.56Å; I120-S234 WeakPolarHBondContact CA-O 3.28Å; I120-V235 HydrophobicContact CG2-CB 3.79Å; I120-V235 HydrophobicContact CG2-CG2 3.92Å
121R96.3Very high94.1Very high36 Ų3661.8 Ų61.814%0.13634%0.34CS..  trans-95.5108.2174.6-67.1-176.459.180-4.6110.5P124 I132 F133 D134 S234R121-P124 HydrophobicContact CB-CG 4.26Å; R121-P124 VanDerWaalsContact NH1-CB 3.28Å; R121-I132 PolarHBondContact NH1-O 3.26Å; R121-F133 HydrophobicContact CG-CB 4.46Å; R121-F133 HydrophobicContact CG-CD1 3.6Å; R121-F133 HydrophobicContact CG-CE1 3.94Å; R121-F133 HydrophobicContact CG-CG 4.06Å; R121-D134 WeakPolarHBondContact CA-OD1 3.5Å; R121-S234 PolarHBondContact N-O 2.82Å
122R94.3Very high94.8Very high150 Ų15056.8 Ų56.857%0.56631%0.313SS*.SBendtrans-111.2-60172.4-71.1-171.5-179.5157.61.1111.6I120 P124 D134 T135I120-R122 HydrophobicContact CD1-CG 4.01Å; I120-R122 HydrophobicContact CG1-CG 4.43Å; R122-P124 VanDerWaalsContact C-CD 3.4Å; R122-D134 PolarHBondContact N-OD1 3.25Å; R122-T135 HydrophobicContact CG-CG2 4.4Å
123N93.7Very high95.2Very high130 Ų13051.3 Ų51.370%0.69529%0.287SS*.SBendtrans-133.962.9175-166.924.2000111.7D134N123-D134 PolarHBondContact N-OD1 3.06Å; N123-D134 PolarHBondContact N-OD2 3.25Å
124P93.5Very high95.4Very high3 Ų350.3 Ų50.32%0.01928%0.279CS..PPolyproline II helixtrans-69.7145-176.127.5-35000111.6R121 R122 I132 D134R121-P124 HydrophobicContact CB-CG 4.26Å; R121-P124 VanDerWaalsContact NH1-CB 3.28Å; R122-P124 VanDerWaalsContact C-CD 3.4Å; P124-I132 HydrophobicContact CB-CB 4.49Å; P124-I132 WeakPolarHBondContact CB-O 3.44Å; P124-D134 WeakPolarHBondContact CA-OD1 3.41Å; P124-D134 HydrophobicContact CB-CB 4.42Å; P124-D134 WeakPolarHBondContact CB-OD1 3.05Å; P124-D134 VanDerWaalsContact CD-OD1 3.31Å; P124-D134 WeakPolarHBondContact CD-OD1 3.41Å
125P92.2Very high95.6Very high78 Ų7845 Ų4551%0.50626%0.263SS..PPolyproline II helixtrans-54.7142.4172.8-23.232.3000112I132P125-I132 HydrophobicContact CB-CD1 4.26Å; P125-I132 HydrophobicContact CG-CD1 4.15Å
126M85.7Confident95.6Very high177 Ų17747.8 Ų47.887%0.87228%0.279SS*.PPolyproline II helixtrans-86.5142.5176.7-64.7-177.175.300111.2
127G87.7Confident95.6Very high59 Ų5952 Ų5261%0.60830%0.298SS*.  trans114.3164173.800000114.1
128G93.3Very high95.6Very high57 Ų5754.2 Ų54.259%0.58831%0.311SS*.SBendtrans67-177.8-177.900000114.7K219G128-K219 WeakPolarHBondContact O-CE 3.31Å
129N95.6Very high95.6Very high73 Ų7354.5 Ų54.539%0.3931%0.311SS..SBendtrans-101.2-12.4-179.4-60.2-23.3000112.8E218 K219N129-E218 CarbonylContact O-C 3.54Å; N129-E218 VanDerWaalsContact O-CA 3.28Å; N129-E218 WeakPolarHBondContact O-CA 3.21Å; N129-K219 VanDerWaalsContact O-CG 3.3Å; N129-K219 WeakPolarHBondContact O-CG 3.46Å; N129-K219 PolarHBondContact O-N 3.32Å
130V97.3Very high95.5Very high34 Ų3458 Ų5821%0.20633%0.327CS..BIsolated β-bridgetrans-74.6129.5177.4-178.70000109.1I132 S148 W216V130-I132 HydrophobicContact CG1-CG1 4.35Å; V130-I132 PolarHBondContact O-N 2.77Å; V130-S148 WeakPolarHBondContact CG1-O 3.48Å; V130-W216 HydrophobicContact CG1-CB 4.33Å; V130-W216 HydrophobicContact CG1-CG 4.33Å
131V97.3Very high95.4Very high2 Ų261.7 Ų61.71%0.01234%0.344CS..  trans-87.6104.4175.5-175.70000108.4F133 L173 V217 K219 I226V131-F133 HydrophobicContact CB-CE2 4.08Å; V131-F133 HydrophobicContact CG1-CD2 4.36Å; V131-F133 HydrophobicContact CG1-CE2 3.59Å; V131-F133 HydrophobicContact CG1-CZ 3.72Å; V131-F133 WeakPolarHBondContact O-CD2 3.4Å; V131-F133 WeakPolarHBondContact O-CE2 3.31Å; V131-L173 HydrophobicContact CG2-CD2 4.05Å; V131-V217 HydrophobicContact CB-CB 4.11Å; V131-V217 HydrophobicContact CB-CG1 4.05Å; V131-V217 HydrophobicContact CG2-CB 4.49Å; V131-V217 HydrophobicContact CG2-CG1 3.96Å; V131-V217 PolarHBondContact N-O 3.17Å; V131-K219 HydrophobicContact CG2-CB 3.88Å; V131-K219 HydrophobicContact CG2-CG 4.05Å; V131-I226 HydrophobicContact CB-CD1 4.23Å; V131-I226 HydrophobicContact CG1-CD1 3.52Å; V131-I226 HydrophobicContact CG2-CD1 3.63Å
132I97.9Very high95.4Very high22 Ų2267.8 Ų67.811%0.11337%0.374CS..  trans-86121.3-176.6-60.3174.8000110.9R121 P124 P125 V130 D134 N146R121-I132 PolarHBondContact NH1-O 3.26Å; P124-I132 HydrophobicContact CB-CB 4.49Å; P124-I132 WeakPolarHBondContact CB-O 3.44Å; P125-I132 HydrophobicContact CB-CD1 4.26Å; P125-I132 HydrophobicContact CG-CD1 4.15Å; V130-I132 HydrophobicContact CG1-CG1 4.35Å; V130-I132 PolarHBondContact O-N 2.77Å; I132-D134 HydrophobicContact CG2-CB 4.45Å; I132-N146 WeakPolarHBondContact CG2-O 3.38Å
133F97.9Very high95.6Very high0 Ų060.7 Ų60.70%035%0.347CS..  trans-98.591.1172.3-58.2-104.8000107.7A119 I120 R121 V131 T135 Y144 V165 V217 F236A119-F133 HydrophobicContact CB-CB 3.7Å; A119-F133 WeakPolarHBondContact O-CD1 3.27Å; I120-F133 CarbonylContact O-C 3.57Å; R121-F133 HydrophobicContact CG-CB 4.46Å; R121-F133 HydrophobicContact CG-CD1 3.6Å; R121-F133 HydrophobicContact CG-CE1 3.94Å; R121-F133 HydrophobicContact CG-CG 4.06Å; V131-F133 HydrophobicContact CB-CE2 4.08Å; V131-F133 HydrophobicContact CG1-CD2 4.36Å; V131-F133 HydrophobicContact CG1-CE2 3.59Å; V131-F133 HydrophobicContact CG1-CZ 3.72Å; V131-F133 WeakPolarHBondContact O-CD2 3.4Å; V131-F133 WeakPolarHBondContact O-CE2 3.31Å; F133-T135 PolarHBondContact O-N 3.33Å; F133-Y144 WeakPolarHBondContact CB-OH 3.42Å; F133-Y144 PolarHBondContact N-OH 2.82Å; F133-Y144 WeakPolarHBondContact O-CE1 3.19Å; F133-Y144 PolarHBondContact O-OH 2.97Å; F133-V165 HydrophobicContact CE1-CG2 4.2Å; F133-V165 HydrophobicContact CZ-CG2 3.9Å; F133-V217 HydrophobicContact CE2-CB 4.23Å; F133-V217 HydrophobicContact CE2-CG2 4.2Å; F133-F236 HydrophobicContact CD1-CB 3.76Å; F133-F236 HydrophobicContact CD2-CB 3.49Å; F133-F236 VanDerWaalsContact CD2-CB 3.49Å; F133-F236 HydrophobicContact CD2-CD1 4.15Å; F133-F236 HydrophobicContact CD2-CG 4.2Å; F133-F236 HydrophobicContact CE1-CB 3.7Å; F133-F236 HydrophobicContact CE2-CB 3.42Å; F133-F236 VanDerWaalsContact CE2-CB 3.42Å; F133-F236 HydrophobicContact CE2-CD1 4.31Å; F133-F236 HydrophobicContact CE2-CG 4.05Å; F133-F236 HydrophobicContact CG-CB 3.69Å; F133-F236 HydrophobicContact CZ-CB 3.54Å; F133-F236 HydrophobicContact CZ-CG 4.49Å
134D97.1Very high95.9Very high28 Ų2854.9 Ų54.915%0.1532%0.316CS..  trans-72.3-26.1-164.357.3-72.4000114.1I120 R121 R122 N123 P124 I132 N146I120-D134 PolarHBondContact O-N 3.15Å; R121-D134 WeakPolarHBondContact CA-OD1 3.5Å; R122-D134 PolarHBondContact N-OD1 3.25Å; N123-D134 PolarHBondContact N-OD1 3.06Å; N123-D134 PolarHBondContact N-OD2 3.25Å; P124-D134 WeakPolarHBondContact CA-OD1 3.41Å; P124-D134 HydrophobicContact CB-CB 4.42Å; P124-D134 WeakPolarHBondContact CB-OD1 3.05Å; P124-D134 VanDerWaalsContact CD-OD1 3.31Å; P124-D134 WeakPolarHBondContact CD-OD1 3.41Å; I132-D134 HydrophobicContact CG2-CB 4.45Å; D134-N146 WeakPolarHBondContact O-CB 3.31Å; D134-N146 PolarHBondContact O-ND2 2.87Å
135T97.5Very high96.1Very high32 Ų3258 Ų5820%0.19633%0.33CS..EExtended strand (participates in β ladder)trans-108.1113.1-174.2-66.70000110.3A119 I120 R122 F133A119-T135 CarbonylContact C-O 3.53Å; A119-T135 VanDerWaalsContact CA-O 3.29Å; A119-T135 WeakPolarHBondContact CA-O 3.19Å; I120-T135 HydrophobicContact CD1-CG2 4.15Å; I120-T135 HydrophobicContact CG1-CG2 3.92Å; I120-T135 WeakPolarHBondContact CG1-O 3.39Å; I120-T135 PolarHBondContact N-O 2.8Å; I120-T135 PolarHBondContact O-N 3.44Å; R122-T135 HydrophobicContact CG-CG2 4.4Å; F133-T135 PolarHBondContact O-N 3.33Å
136V98.5Very high96.3Very high57 Ų5757.5 Ų57.535%0.34532%0.323SS..EExtended strand (participates in β ladder)trans-78.5130.9179.8173.70000110.9N139 Y144 N146V136-N139 HydrophobicContact CG1-CB 3.62Å; V136-Y144 HydrophobicContact CG2-CD1 4.37Å; V136-N146 HydrophobicContact CG2-CB 3.9Å
137I98.2Very high96.8Very high111 Ų11155.2 Ų55.257%0.56931%0.31SS*.EExtended strand (participates in β ladder)trans-89.8-49.2167.8-60.8175.1000109.7S118 I120S118-I137 WeakPolarHBondContact O-CA 3.48Å; S118-I137 WeakPolarHBondContact O-CB 3.33Å; S118-I137 PolarHBondContact O-N 2.98Å; I120-I137 HydrophobicContact CD1-CG1 4.49Å; I120-I137 HydrophobicContact CG1-CD1 4.36Å; I120-I137 HydrophobicContact CG1-CG1 4.24Å; I120-I137 HydrophobicContact CG2-CD1 3.6Å; I120-I137 HydrophobicContact CG2-CG1 4.33Å
138T98.5Very high97.3Very high49 Ų4953.8 Ų53.830%0.30129%0.291SS..EExtended strand (participates in β ladder)trans-145.4147175.31780000109.3F117 S118F117-T138 CarbonylContact C-O 3.52Å; F117-T138 WeakPolarHBondContact CA-O 3.41Å; F117-T138 WeakPolarHBondContact CB-O 3.49Å; S118-T138 PolarHBondContact N-O 3Å; S118-T138 PolarHBondContact O-N 3.04Å; S118-T138 VanDerWaalsContact O-N 3.15Å
139N98.3Very high97.5Very high38 Ų3851 Ų5120%0.20326%0.263CS..EExtended strand (participates in β ladder)trans-153.866.9178.6-163.619.3000110.1A116 F117 V136 E141 E142 P143 Y144A116-N139 CarbonylContact O-C 3.45Å; A116-N139 WeakPolarHBondContact O-CA 3.4Å; F117-N139 HydrophobicContact CB-CB 4.47Å; V136-N139 HydrophobicContact CG1-CB 3.62Å; N139-E141 PolarHBondContact O-N 3Å; N139-E142 PolarHBondContact O-N 2.79Å; N139-P143 WeakPolarHBondContact OD1-CD 3.39Å; N139-Y144 PolarHBondContact ND2-O 2.84Å; N139-Y144 WeakPolarHBondContact OD1-CB 3.45Å; N139-Y144 PolarHBondContact OD1-N 3.46Å
140Q97.1Very high97.6Very high72 Ų7251 Ų5134%0.33626%0.257SS..EExtended strand (participates in β ladder)trans-65.8128.7-179.6-63.5179.135.600109.8R114 P115 A116 E142 P143R114-Q140 VanDerWaalsContact CZ-OE1 3.3Å; P115-Q140 WeakPolarHBondContact CA-O 3.48Å; A116-Q140 PolarHBondContact N-O 2.82Å; A116-Q140 PolarHBondContact O-N 3.32Å; Q140-E142 PolarHBondContact O-N 2.78Å; Q140-P143 WeakPolarHBondContact O-CD 3.29Å
141E95.7Very high97.7Very high88 Ų8849.4 Ų49.441%0.41125%0.247SC..THydrogen-bonded Turntrans62.314.9-172.3-53.9177.6-166.600114.2R114 P115 N139 P143R114-E141 WeakPolarHBondContact CG-OE1 3.46Å; R114-E141 PolarHBondContact N-OE1 2.9Å; P115-E141 HydrophobicContact CB-CB 4.2Å; P115-E141 VanDerWaalsContact CD-OE2 3.3Å; P115-E141 WeakPolarHBondContact CD-OE2 3.45Å; N139-E141 PolarHBondContact O-N 3Å; E141-P143 WeakPolarHBondContact O-CD 3.3Å
142E97.3Very high97.7Very high163 Ų16350.6 Ų50.676%0.76226%0.255SS*.SBendtrans50.737.6172.7-56.5-176.6176.500117.2N139 Q140 Y144N139-E142 PolarHBondContact O-N 2.79Å; Q140-E142 PolarHBondContact O-N 2.78Å; E142-Y144 VanDerWaalsContact C-N 3.27Å; E142-Y144 PolarHBondContact O-N 2.84Å
143P98Very high97.7Very high2 Ų249.6 Ų49.61%0.01325%0.249CC..  trans-73-18-178.834.3-41.6000113.5P115 N139 Q140 E141 F151 V152P115-P143 HydrophobicContact CB-CB 4.34Å; P115-P143 HydrophobicContact CB-CG 4.01Å; N139-P143 WeakPolarHBondContact OD1-CD 3.39Å; Q140-P143 WeakPolarHBondContact O-CD 3.29Å; E141-P143 WeakPolarHBondContact O-CD 3.3Å; P143-F151 HydrophobicContact CB-CD2 3.73Å; P143-F151 HydrophobicContact CB-CE2 3.36Å; P143-F151 HydrophobicContact CB-CZ 4.04Å; P143-F151 HydrophobicContact CG-CD2 4.05Å; P143-F151 HydrophobicContact CG-CE2 3.69Å; P143-F151 CarbonylContact O-C 3.58Å; P143-F151 WeakPolarHBondContact O-CA 3.16Å; P143-V152 PolarHBondContact O-N 2.83Å
144Y98.7Very high97.7Very high7 Ų752.7 Ų52.73%0.02727%0.268CS..EExtended strand (participates in β ladder)trans-98.3133.4-177.5-172.4-104000113.2F117 A119 F133 V136 N139 E142 N146 G149 F151 F236F117-Y144 HydrophobicContact CB-CG 4.46Å; F117-Y144 HydrophobicContact CD2-CD1 4.04Å; F117-Y144 AromaticContact CD2-CD2 3.53Å; F117-Y144 HydrophobicContact CD2-CD2 3.53Å; F117-Y144 HydrophobicContact CD2-CE2 4.2Å; F117-Y144 AromaticContact CD2-CG 3.44Å; F117-Y144 HydrophobicContact CD2-CG 3.44Å; F117-Y144 VanDerWaalsContact CD2-CG 3.44Å; F117-Y144 HydrophobicContact CE1-CD2 4.36Å; F117-Y144 HydrophobicContact CE2-CD1 4.48Å; F117-Y144 AromaticContact CE2-CD2 3.32Å; F117-Y144 HydrophobicContact CE2-CD2 3.32Å; F117-Y144 AromaticContact CE2-CE2 3.68Å; F117-Y144 HydrophobicContact CE2-CE2 3.68Å; F117-Y144 AromaticContact CE2-CG 3.78Å; F117-Y144 HydrophobicContact CE2-CG 3.78Å; F117-Y144 HydrophobicContact CG-CD2 4.16Å; F117-Y144 AromaticContact CG-CG 3.92Å; F117-Y144 HydrophobicContact CG-CG 3.92Å; F117-Y144 AromaticContact CZ-CD2 3.79Å; F117-Y144 HydrophobicContact CZ-CD2 3.79Å; F117-Y144 HydrophobicContact CZ-CE2 4.26Å; F117-Y144 HydrophobicContact CZ-CG 4.49Å; A119-Y144 HydrophobicContact CB-CD1 3.96Å; A119-Y144 HydrophobicContact CB-CE1 3.5Å; F133-Y144 WeakPolarHBondContact CB-OH 3.42Å; F133-Y144 PolarHBondContact N-OH 2.82Å; F133-Y144 WeakPolarHBondContact O-CE1 3.19Å; F133-Y144 PolarHBondContact O-OH 2.97Å; V136-Y144 HydrophobicContact CG2-CD1 4.37Å; N139-Y144 PolarHBondContact ND2-O 2.84Å; N139-Y144 WeakPolarHBondContact OD1-CB 3.45Å; N139-Y144 PolarHBondContact OD1-N 3.46Å; E142-Y144 VanDerWaalsContact C-N 3.27Å; E142-Y144 PolarHBondContact O-N 2.84Å; Y144-N146 HydrophobicContact CD1-CB 4.5Å; Y144-N146 HydrophobicContact CE1-CB 4.21Å; Y144-G149 VanDerWaalsContact OH-CA 3.3Å; Y144-G149 WeakPolarHBondContact OH-CA 3.47Å; Y144-F151 HydrophobicContact CD2-CB 4.35Å; Y144-F236 AromaticContact CE2-CD1 3.89Å; Y144-F236 HydrophobicContact CE2-CD1 3.89Å; Y144-F236 HydrophobicContact CE2-CE1 4.08Å
145Q98.3Very high97.7Very high69 Ų6952.8 Ų52.832%0.32227%0.27SS..EExtended strand (participates in β ladder)trans-107.6104.8177.8-63.8179.88.100110.2H147 S148 G149 R150 V152Q145-H147 PolarHBondContact O-N 3.23Å; Q145-S148 VanDerWaalsContact CB-OG 3.32Å; Q145-S148 WeakPolarHBondContact CB-OG 3.45Å; Q145-S148 PolarHBondContact O-N 3.04Å; Q145-S148 PolarHBondContact O-OG 3.42Å; Q145-S148 PolarHBondContact OE1-OG 3.02Å; Q145-G149 PolarHBondContact O-N 3.07Å; Q145-R150 WeakPolarHBondContact CB-O 3.22Å; Q145-R150 PolarHBondContact N-O 2.88Å; Q145-R150 PolarHBondContact O-N 2.78Å; Q145-V152 HydrophobicContact CG-CG2 4.44Å
146N97.5Very high97.7Very high68 Ų6853.7 Ų53.736%0.36428%0.276SS..THydrogen-bonded Turntrans-71-26.2-174.267.2-22.4000114.8I132 D134 V136 Y144I132-N146 WeakPolarHBondContact CG2-O 3.38Å; D134-N146 WeakPolarHBondContact O-CB 3.31Å; D134-N146 PolarHBondContact O-ND2 2.87Å; V136-N146 HydrophobicContact CG2-CB 3.9Å; Y144-N146 HydrophobicContact CD1-CB 4.5Å; Y144-N146 HydrophobicContact CE1-CB 4.21Å
147H96.1Very high97.6Very high129 Ų12951 Ų5160%0.59726%0.26SS*.THydrogen-bonded Turntrans-71.9-3117760.8-89.3000112.6Q145Q145-H147 PolarHBondContact O-N 3.23Å
148S97.1Very high97.6Very high28 Ų2849.3 Ų49.320%0.19625%0.247CC..THydrogen-bonded Turntrans-104.2-15.1-177.463.40000113.1V130 Q145 R150V130-S148 WeakPolarHBondContact CG1-O 3.48Å; Q145-S148 VanDerWaalsContact CB-OG 3.32Å; Q145-S148 WeakPolarHBondContact CB-OG 3.45Å; Q145-S148 PolarHBondContact O-N 3.04Å; Q145-S148 PolarHBondContact O-OG 3.42Å; Q145-S148 PolarHBondContact OE1-OG 3.02Å; S148-R150 VanDerWaalsContact C-N 3.31Å
149G97.8Very high97.6Very high0 Ų047 Ų470%023%0.233CC..THydrogen-bonded Turntrans76.217.4-175.900000113.9Y144 Q145 W216Y144-G149 VanDerWaalsContact OH-CA 3.3Å; Y144-G149 WeakPolarHBondContact OH-CA 3.47Å; Q145-G149 PolarHBondContact O-N 3.07Å; G149-W216 WeakPolarHBondContact O-CB 3.47Å
150R98.1Very high97.7Very high73 Ų7349.1 Ų49.128%0.27524%0.238SC..EExtended strand (participates in β ladder)trans-113.5136.7-169.3-59.4-171.7174.3-158-2.9112.4Q145 S148 W216Q145-R150 WeakPolarHBondContact CB-O 3.22Å; Q145-R150 PolarHBondContact N-O 2.88Å; Q145-R150 PolarHBondContact O-N 2.78Å; S148-R150 VanDerWaalsContact C-N 3.31Å; R150-W216 HydrophobicContact CG-CB 4.09Å; R150-W216 HydrophobicContact CG-CD2 4.47Å; R150-W216 HydrophobicContact CG-CE3 4.28Å; R150-W216 HydrophobicContact CG-CG 4.43Å
151F98.6Very high97.7Very high0 Ų045.7 Ų45.70%022%0.222CC..EExtended strand (participates in β ladder)trans-83.2139.9159.7172.3-86.4000109.6F117 P143 Y144 C153 Y159 F161 L209 Q214 V215F117-F151 AromaticContact CD1-CD2 3.67Å; F117-F151 HydrophobicContact CD1-CD2 3.67Å; F117-F151 HydrophobicContact CD1-CE2 4.25Å; F117-F151 HydrophobicContact CE1-CB 4.1Å; F117-F151 AromaticContact CE1-CD2 3.44Å; F117-F151 HydrophobicContact CE1-CD2 3.44Å; F117-F151 VanDerWaalsContact CE1-CD2 3.44Å; F117-F151 HydrophobicContact CE1-CE2 4.24Å; F117-F151 HydrophobicContact CE1-CG 4.12Å; F117-F151 HydrophobicContact CZ-CB 4.36Å; F117-F151 HydrophobicContact CZ-CD2 4.46Å; P143-F151 HydrophobicContact CB-CD2 3.73Å; P143-F151 HydrophobicContact CB-CE2 3.36Å; P143-F151 HydrophobicContact CB-CZ 4.04Å; P143-F151 HydrophobicContact CG-CD2 4.05Å; P143-F151 HydrophobicContact CG-CE2 3.69Å; P143-F151 CarbonylContact O-C 3.58Å; P143-F151 WeakPolarHBondContact O-CA 3.16Å; Y144-F151 HydrophobicContact CD2-CB 4.35Å; F151-C153 HydrophobicContact CE1-CB 3.94Å; F151-Y159 HydrophobicContact CE1-CD1 4.41Å; F151-Y159 HydrophobicContact CE1-CE1 4.34Å; F151-Y159 HydrophobicContact CE2-CD1 4.25Å; F151-Y159 HydrophobicContact CE2-CE1 4.02Å; F151-Y159 AromaticContact CZ-CD1 3.7Å; F151-Y159 HydrophobicContact CZ-CD1 3.7Å; F151-Y159 AromaticContact CZ-CE1 3.39Å; F151-Y159 HydrophobicContact CZ-CE1 3.39Å; F151-Y159 HydrophobicContact CZ-CG 4.39Å; F151-Y159 AromaticContact CZ-CZ 3.85Å; F151-F161 HydrophobicContact CB-CE1 4Å; F151-F161 AromaticContact CD1-CE1 3.82Å; F151-F161 HydrophobicContact CD1-CE1 3.82Å; F151-F161 AromaticContact CD1-CZ 3.61Å; F151-F161 HydrophobicContact CD1-CZ 3.61Å; F151-F161 AromaticContact CD2-CE1 3.89Å; F151-F161 HydrophobicContact CD2-CE1 3.89Å; F151-F161 HydrophobicContact CD2-CZ 4.33Å; F151-F161 HydrophobicContact CE1-CE1 4.28Å; F151-F161 AromaticContact CE1-CZ 3.76Å; F151-F161 HydrophobicContact CE1-CZ 3.76Å; F151-F161 HydrophobicContact CE2-CE1 4.28Å; F151-F161 HydrophobicContact CE2-CZ 4.4Å; F151-F161 AromaticContact CG-CE1 3.63Å; F151-F161 HydrophobicContact CG-CE1 3.63Å; F151-F161 AromaticContact CG-CZ 3.93Å; F151-F161 HydrophobicContact CG-CZ 3.93Å; F151-F161 HydrophobicContact CZ-CE1 4.5Å; F151-F161 HydrophobicContact CZ-CZ 4.17Å; F151-L209 HydrophobicContact CD1-CD1 4.22Å; F151-L209 HydrophobicContact CE1-CD1 3.67Å; F151-Q214 CarbonylContact O-C 3.59Å; F151-Q214 VanDerWaalsContact O-CA 3.22Å; F151-Q214 WeakPolarHBondContact O-CA 3.33Å; F151-V215 HydrophobicContact CB-CB 4.28Å; F151-V215 HydrophobicContact CD1-CB 4.25Å; F151-V215 HydrophobicContact CD1-CG2 4.29Å; F151-V215 PolarHBondContact N-O 2.88Å; F151-V215 PolarHBondContact O-N 2.87Å
152V98.1Very high97.9Very high27 Ų2742.6 Ų42.616%0.16421%0.21CC..EExtended strand (participates in β ladder)trans-123.5122.5173.8-173.60000109.1P143 Q145 T154 Q214P143-V152 PolarHBondContact O-N 2.83Å; Q145-V152 HydrophobicContact CG-CG2 4.44Å; V152-T154 PolarHBondContact O-N 3.26Å; V152-Q214 HydrophobicContact CG2-CG 4.17Å
153C98Very high97.9Very high1 Ų134.9 Ų34.91%0.00717%0.174CC..  trans-71.4113.2-178.7-175.70000111F151 V155 L209 Q210 G212 D213F151-C153 HydrophobicContact CE1-CB 3.94Å; C153-V155 PolarHBondContact SG-O 2.83Å; C153-L209 HydrophobicContact CB-CB 4.05Å; C153-L209 HydrophobicContact CB-CD1 4.18Å; C153-Q210 WeakPolarHBondContact CB-O 3.5Å; C153-Q210 PolarHBondContact SG-O 2.93Å; C153-G212 PolarHBondContact O-N 2.89Å; C153-D213 HydrophobicContact CB-CB 4.28Å; C153-D213 WeakPolarHBondContact CB-O 3.3Å; C153-D213 PolarHBondContact N-O 2.8Å
154T96.6Very high97.9Very high64 Ų6438.3 Ų38.339%0.39319%0.19SC..SBendtrans-93.9-28.9172.851.90000112.3V152V152-T154 PolarHBondContact O-N 3.26Å
155V97.1Very high97.8Very high30 Ų3038 Ų3818%0.18219%0.188CC..SBendtrans-120.4111.8-177.8-1800000109.1P113 P115 C153 G157 Y159 L240 P243P113-V155 HydrophobicContact CB-CB 4.41Å; P113-V155 HydrophobicContact CB-CG1 3.93Å; P113-V155 HydrophobicContact CB-CG2 3.86Å; P113-V155 HydrophobicContact CG-CG1 3.88Å; P115-V155 HydrophobicContact CG-CB 4.5Å; C153-V155 PolarHBondContact SG-O 2.83Å; V155-G157 PolarHBondContact O-N 3.18Å; V155-Y159 VanDerWaalsContact O-CE2 3.3Å; V155-Y159 WeakPolarHBondContact O-CE2 3.4Å; V155-Y159 PolarHBondContact O-OH 2.89Å; V155-L240 HydrophobicContact CG1-CD2 4.2Å; V155-P243 HydrophobicContact CG1-CB 4.27Å
156P97.8Very high97.6Very high52 Ų5235.7 Ų35.734%0.33818%0.178SC..  trans-55.8137.4176.7-2533.8000112L209 Q211 P243 S244P156-L209 WeakPolarHBondContact CA-O 3.31Å; P156-Q211 HydrophobicContact CG-CB 4.05Å; P156-P243 WeakPolarHBondContact O-CA 3.41Å; P156-S244 PolarHBondContact O-N 2.83Å
157G97.7Very high97.5Very high0 Ų032.4 Ų32.40%016%0.161CC..EExtended strand (participates in β ladder)trans166.1-169.9-174.900000114.6V155 Q208 L209 F242 S244V155-G157 PolarHBondContact O-N 3.18Å; G157-Q208 WeakPolarHBondContact O-CA 3.37Å; G157-L209 PolarHBondContact N-O 3.14Å; G157-L209 PolarHBondContact O-N 3.39Å; G157-F242 WeakPolarHBondContact CA-O 3.41Å; G157-S244 VanDerWaalsContact CA-OG 3.31Å; G157-S244 WeakPolarHBondContact CA-OG 3.37Å; G157-S244 PolarHBondContact N-OG 2.78Å
158Y98.1Very high97.3Very high76 Ų7628.1 Ų28.130%0.29814%0.141SC..EExtended strand (participates in β ladder)trans-101.2124.3176.2-68.8-100000109.4V206 L207 Q208 I241 F242Y158-V206 HydrophobicContact CD1-CG1 4.41Å; Y158-L207 WeakPolarHBondContact CA-O 3.37Å; Y158-Q208 HydrophobicContact CD1-CB 3.98Å; Y158-Q208 HydrophobicContact CD1-CG 4.31Å; Y158-Q208 HydrophobicContact CD2-CG 4.48Å; Y158-Q208 HydrophobicContact CE1-CB 3.76Å; Y158-Q208 HydrophobicContact CE1-CG 3.92Å; Y158-Q208 HydrophobicContact CE2-CG 4.12Å; Y158-Q208 PolarHBondContact OH-NE2 3.23Å; Y158-Q208 PolarHBondContact OH-OE1 2.8Å; Y158-I241 WeakPolarHBondContact O-CB 3.3Å; Y158-I241 WeakPolarHBondContact O-CG1 3.18Å; Y158-I241 PolarHBondContact O-N 3.44Å; Y158-F242 HydrophobicContact CD1-CE2 4.49Å; Y158-F242 HydrophobicContact CD1-CZ 4.2Å; Y158-F242 AromaticContact CD2-CD2 3.63Å; Y158-F242 HydrophobicContact CD2-CD2 3.63Å; Y158-F242 HydrophobicContact CD2-CE1 4.49Å; Y158-F242 AromaticContact CD2-CE2 2.98Å; Y158-F242 HydrophobicContact CD2-CE2 2.98Å; Y158-F242 AromaticContact CD2-CZ 3.49Å; Y158-F242 HydrophobicContact CD2-CZ 3.49Å; Y158-F242 VanDerWaalsContact CD2-CZ 3.49Å; Y158-F242 HydrophobicContact CE2-CD2 4.3Å; Y158-F242 AromaticContact CE2-CE2 3.43Å; Y158-F242 HydrophobicContact CE2-CE2 3.43Å; Y158-F242 VanDerWaalsContact CE2-CE2 3.43Å; Y158-F242 HydrophobicContact CE2-CZ 4.03Å; Y158-F242 HydrophobicContact CG-CD2 4.31Å; Y158-F242 HydrophobicContact CG-CE1 4.32Å; Y158-F242 AromaticContact CG-CE2 3.59Å; Y158-F242 HydrophobicContact CG-CE2 3.59Å; Y158-F242 AromaticContact CG-CZ 3.56Å; Y158-F242 HydrophobicContact CG-CZ 3.56Å; Y158-F242 PolarHBondContact N-O 2.75Å
159Y98.5Very high97.1Very high0 Ų032 Ų320%015%0.151CC..EExtended strand (participates in β ladder)trans-118.2141.7-176.3-75.5-96.6000110.4P115 F151 V155 F161 V206 L207 L209 F239 L240P115-Y159 HydrophobicContact CG-CE1 3.89Å; P115-Y159 VanDerWaalsContact CG-OH 3.27Å; P115-Y159 WeakPolarHBondContact CG-OH 3.34Å; F151-Y159 HydrophobicContact CE1-CD1 4.41Å; F151-Y159 HydrophobicContact CE1-CE1 4.34Å; F151-Y159 HydrophobicContact CE2-CD1 4.25Å; F151-Y159 HydrophobicContact CE2-CE1 4.02Å; F151-Y159 AromaticContact CZ-CD1 3.7Å; F151-Y159 HydrophobicContact CZ-CD1 3.7Å; F151-Y159 AromaticContact CZ-CE1 3.39Å; F151-Y159 HydrophobicContact CZ-CE1 3.39Å; F151-Y159 HydrophobicContact CZ-CG 4.39Å; F151-Y159 AromaticContact CZ-CZ 3.85Å; V155-Y159 VanDerWaalsContact O-CE2 3.3Å; V155-Y159 WeakPolarHBondContact O-CE2 3.4Å; V155-Y159 PolarHBondContact O-OH 2.89Å; Y159-F161 HydrophobicContact CD1-CZ 4.36Å; Y159-F161 HydrophobicContact CG-CE2 4.27Å; Y159-F161 HydrophobicContact CG-CZ 4.24Å; Y159-V206 CarbonylContact O-C 3.59Å; Y159-V206 VanDerWaalsContact O-CA 3.24Å; Y159-V206 WeakPolarHBondContact O-CA 3.2Å; Y159-L207 PolarHBondContact N-O 2.92Å; Y159-L207 PolarHBondContact O-N 2.91Å; Y159-L209 HydrophobicContact CD2-CB 4.2Å; Y159-L209 HydrophobicContact CD2-CD1 3.81Å; Y159-L209 HydrophobicContact CD2-CG 4.17Å; Y159-L209 HydrophobicContact CE2-CB 4.46Å; Y159-L209 HydrophobicContact CE2-CD1 4.39Å; Y159-L209 HydrophobicContact CG-CD1 4.12Å; Y159-F239 WeakPolarHBondContact CA-O 3.22Å; Y159-F239 VanDerWaalsContact CD1-C 3.5Å; Y159-F239 WeakPolarHBondContact CD1-O 3.16Å; Y159-L240 HydrophobicContact CD1-CB 4.15Å; Y159-L240 HydrophobicContact CD1-CD1 4.49Å; Y159-L240 HydrophobicContact CD2-CD1 4.04Å; Y159-L240 HydrophobicContact CE1-CB 3.67Å; Y159-L240 HydrophobicContact CE1-CD1 4.05Å; Y159-L240 HydrophobicContact CE1-CG 4.47Å; Y159-L240 HydrophobicContact CE2-CD1 3.56Å; Y159-L240 HydrophobicContact CG-CD1 4.49Å
160Y98.6Very high96.9Very high82 Ų8234.6 Ų34.632%0.32216%0.163SC..EExtended strand (participates in β ladder)trans-100.8132.3166.4-178.7-111.7000109.2T162 V206 G238 F239Y160-T162 HydrophobicContact CE1-CG2 3.88Å; Y160-V206 HydrophobicContact CD2-CG2 3.9Å; Y160-G238 CarbonylContact O-C 3.56Å; Y160-G238 WeakPolarHBondContact O-CA 3.3Å; Y160-F239 HydrophobicContact CD1-CD1 4.42Å; Y160-F239 AromaticContact CD1-CE1 3.55Å; Y160-F239 HydrophobicContact CD1-CE1 3.55Å; Y160-F239 AromaticContact CD1-CZ 3.86Å; Y160-F239 HydrophobicContact CD1-CZ 3.86Å; Y160-F239 HydrophobicContact CE1-CE1 4.48Å; Y160-F239 HydrophobicContact CG-CE1 4.29Å; Y160-F239 HydrophobicContact CG-CZ 4.27Å; Y160-F239 PolarHBondContact N-O 3.22Å; Y160-F239 PolarHBondContact O-N 3.46Å
161F98.6Very high96.7Very high0 Ų031.1 Ų31.10%015%0.15CC..EExtended strand (participates in β ladder)trans-122.1142.2174.1-63.9-84.9000109.6F117 F151 Y159 I175 G204 M205 L207 L209 V215 F236 S237F117-F161 HydrophobicContact CE1-CD1 4.11Å; F117-F161 AromaticContact CE1-CE1 3.9Å; F117-F161 HydrophobicContact CE1-CE1 3.9Å; F117-F161 HydrophobicContact CZ-CD1 4.25Å; F117-F161 HydrophobicContact CZ-CE1 4.37Å; F151-F161 HydrophobicContact CB-CE1 4Å; F151-F161 AromaticContact CD1-CE1 3.82Å; F151-F161 HydrophobicContact CD1-CE1 3.82Å; F151-F161 AromaticContact CD1-CZ 3.61Å; F151-F161 HydrophobicContact CD1-CZ 3.61Å; F151-F161 AromaticContact CD2-CE1 3.89Å; F151-F161 HydrophobicContact CD2-CE1 3.89Å; F151-F161 HydrophobicContact CD2-CZ 4.33Å; F151-F161 HydrophobicContact CE1-CE1 4.28Å; F151-F161 AromaticContact CE1-CZ 3.76Å; F151-F161 HydrophobicContact CE1-CZ 3.76Å; F151-F161 HydrophobicContact CE2-CE1 4.28Å; F151-F161 HydrophobicContact CE2-CZ 4.4Å; F151-F161 AromaticContact CG-CE1 3.63Å; F151-F161 HydrophobicContact CG-CE1 3.63Å; F151-F161 AromaticContact CG-CZ 3.93Å; F151-F161 HydrophobicContact CG-CZ 3.93Å; F151-F161 HydrophobicContact CZ-CE1 4.5Å; F151-F161 HydrophobicContact CZ-CZ 4.17Å; Y159-F161 HydrophobicContact CD1-CZ 4.36Å; Y159-F161 HydrophobicContact CG-CE2 4.27Å; Y159-F161 HydrophobicContact CG-CZ 4.24Å; F161-I175 HydrophobicContact CB-CD1 4.13Å; F161-G204 CarbonylContact O-C 3.59Å; F161-G204 WeakPolarHBondContact O-CA 3.41Å; F161-M205 PolarHBondContact N-O 3.02Å; F161-M205 PolarHBondContact O-N 2.89Å; F161-L207 HydrophobicContact CD2-CB 4.44Å; F161-L207 HydrophobicContact CD2-CD1 3.93Å; F161-L207 HydrophobicContact CD2-CG 4.42Å; F161-L207 HydrophobicContact CE2-CB 4.23Å; F161-L207 HydrophobicContact CE2-CD1 4.01Å; F161-L209 HydrophobicContact CE2-CD1 3.91Å; F161-L209 HydrophobicContact CZ-CD1 3.87Å; F161-V215 HydrophobicContact CD1-CG1 4.17Å; F161-V215 HydrophobicContact CD2-CG1 4.16Å; F161-V215 HydrophobicContact CE1-CB 4.14Å; F161-V215 HydrophobicContact CE1-CG1 4.14Å; F161-V215 HydrophobicContact CE2-CB 4.31Å; F161-V215 HydrophobicContact CE2-CG1 4.13Å; F161-V215 HydrophobicContact CE2-CG2 3.93Å; F161-V215 HydrophobicContact CG-CG1 4.17Å; F161-V215 HydrophobicContact CZ-CB 3.96Å; F161-V215 HydrophobicContact CZ-CG1 4.13Å; F161-V215 HydrophobicContact CZ-CG2 3.84Å; F161-F236 HydrophobicContact CB-CE2 4.06Å; F161-F236 HydrophobicContact CB-CZ 4.42Å; F161-F236 HydrophobicContact CD1-CE2 4.21Å; F161-F236 AromaticContact CD1-CZ 3.83Å; F161-F236 HydrophobicContact CD1-CZ 3.83Å; F161-F236 HydrophobicContact CG-CZ 4.48Å; F161-S237 WeakPolarHBondContact CA-O 3.23Å
162T98.3Very high96.6Very high24 Ų2432 Ų3215%0.14716%0.156CC..EExtended strand (participates in β ladder)trans-148.9146.7176.2-175.20000111.4Y160 G203 F236 S237Y160-T162 HydrophobicContact CE1-CG2 3.88Å; T162-G203 CarbonylContact C-O 3.53Å; T162-G203 WeakPolarHBondContact CA-O 3.17Å; T162-G203 PolarHBondContact OG1-O 2.89Å; T162-F236 VanDerWaalsContact O-CD2 3.26Å; T162-F236 WeakPolarHBondContact O-CD2 3.42Å; T162-S237 PolarHBondContact N-O 2.9Å; T162-S237 PolarHBondContact O-N 2.04Å
163F98.2Very high96.6Very high0 Ų030.7 Ų30.70%015%0.148CC..EExtended strand (participates in β ladder)trans-129152.6170.964.3-99.2000110.6V165 L173 I175 F189 V201 S202 G203 V217 V235 F236F163-V165 HydrophobicContact CB-CG2 4.25Å; F163-V165 HydrophobicContact CD2-CB 4.34Å; F163-V165 HydrophobicContact CD2-CG2 3.77Å; F163-V165 HydrophobicContact CG-CG2 4.34Å; F163-L173 HydrophobicContact CD2-CD1 3.98Å; F163-L173 HydrophobicContact CE1-CB 4.37Å; F163-L173 HydrophobicContact CE2-CB 3.98Å; F163-L173 HydrophobicContact CE2-CD1 3.63Å; F163-L173 HydrophobicContact CE2-CG 4.41Å; F163-L173 HydrophobicContact CZ-CB 3.67Å; F163-L173 HydrophobicContact CZ-CD1 4.17Å; F163-I175 HydrophobicContact CD1-CD1 4.07Å; F163-I175 HydrophobicContact CD1-CG1 3.94Å; F163-I175 HydrophobicContact CE1-CD1 4.19Å; F163-I175 HydrophobicContact CE1-CG1 3.89Å; F163-F189 HydrophobicContact CE1-CD2 4.01Å; F163-F189 HydrophobicContact CE1-CE2 4.46Å; F163-F189 HydrophobicContact CZ-CB 4.08Å; F163-F189 AromaticContact CZ-CD2 3.77Å; F163-F189 HydrophobicContact CZ-CD2 3.77Å; F163-F189 HydrophobicContact CZ-CG 4.17Å; F163-V201 HydrophobicContact CE2-CG1 4Å; F163-V201 WeakPolarHBondContact CE2-O 3.28Å; F163-S202 VanDerWaalsContact O-CA 3.28Å; F163-S202 WeakPolarHBondContact O-CA 3.01Å; F163-G203 PolarHBondContact N-O 3.34Å; F163-G203 PolarHBondContact O-N 2.83Å; F163-G203 VanDerWaalsContact O-N 3.09Å; F163-V217 HydrophobicContact CB-CG2 4.45Å; F163-V217 HydrophobicContact CD1-CG2 4.04Å; F163-V217 HydrophobicContact CG-CG2 4.48Å; F163-V235 CarbonylContact C-O 3.51Å; F163-V235 WeakPolarHBondContact CA-O 3.2Å; F163-V235 WeakPolarHBondContact CB-O 3.37Å; F163-F236 HydrophobicContact CB-CB 4.43Å; F163-F236 HydrophobicContact CB-CD2 4.01Å
164Q97.5Very high96.5Very high75 Ų7531.8 Ų31.835%0.3516%0.156SC..EExtended strand (participates in β ladder)trans-127.6110.2162.6-6391.16.300107.1V200 S234 V235Q164-V200 HydrophobicContact CB-CG1 4.01Å; Q164-S234 CarbonylContact O-C 3.51Å; Q164-S234 WeakPolarHBondContact O-CA 3.42Å; Q164-V235 HydrophobicContact CB-CG1 3.9Å; Q164-V235 PolarHBondContact N-O 2.81Å; Q164-V235 PolarHBondContact O-N 2.94Å
165V97.3Very high96.6Very high0 Ų028.8 Ų28.80%014%0.138CC..EExtended strand (participates in β ladder)trans-118.4129.5-175.3178.90000110.4F133 F163 I171 L173 V200 V201 I226F133-V165 HydrophobicContact CE1-CG2 4.2Å; F133-V165 HydrophobicContact CZ-CG2 3.9Å; F163-V165 HydrophobicContact CB-CG2 4.25Å; F163-V165 HydrophobicContact CD2-CB 4.34Å; F163-V165 HydrophobicContact CD2-CG2 3.77Å; F163-V165 HydrophobicContact CG-CG2 4.34Å; V165-I171 HydrophobicContact CB-CD1 4.35Å; V165-I171 HydrophobicContact CG1-CD1 3.67Å; V165-L173 HydrophobicContact CB-CD1 3.5Å; V165-L173 HydrophobicContact CG1-CD1 3.81Å; V165-L173 HydrophobicContact CG2-CD1 3.49Å; V165-L173 VanDerWaalsContact CG2-CD1 3.49Å; V165-V200 CarbonylContact O-C 3.5Å; V165-V200 WeakPolarHBondContact O-CA 3.19Å; V165-V201 PolarHBondContact N-O 2.92Å; V165-V201 PolarHBondContact O-N 3.16Å; V165-I226 HydrophobicContact CG1-CB 4.32Å; V165-I226 HydrophobicContact CG1-CD1 4.07Å; V165-I226 HydrophobicContact CG1-CG1 3.89Å; V165-I226 HydrophobicContact CG1-CG2 3.62Å
166L94.7Very high96.6Very high20 Ų2027.4 Ų27.411%0.10513%0.129CC..EExtended strand (participates in β ladder)trans-86.1143.2179-67.1117.5000111.6Q199 V200 Y227 A232 D233 S234L166-Q199 CarbonylContact C-O 3.32Å; L166-Q199 VanDerWaalsContact CA-O 3.29Å; L166-Q199 WeakPolarHBondContact CA-O 3.11Å; L166-V200 HydrophobicContact CD2-CG2 3.87Å; L166-V200 HydrophobicContact CG-CG2 4.08Å; L166-Y227 HydrophobicContact CB-CD1 4.48Å; L166-Y227 PolarHBondContact O-N 2.93Å; L166-A232 HydrophobicContact CD1-CB 3.74Å; L166-A232 HydrophobicContact CD2-CB 3.62Å; L166-A232 HydrophobicContact CG-CB 4.32Å; L166-D233 WeakPolarHBondContact CD1-O 3.34Å; L166-S234 PolarHBondContact N-OG 2.86Å
167S94.1Very high96.6Very high0 Ų025.7 Ų25.70%012%0.118CC..EExtended strand (participates in β ladder)trans-146.1162.4172.3-175.90000110.8W169 Q199 H225S167-W169 PolarHBondContact OG-N 3.03Å; S167-W169 PolarHBondContact OG-O 3.45Å; S167-Q199 PolarHBondContact N-O 2.93Å; S167-Q199 WeakPolarHBondContact O-CG 3.35Å; S167-Q199 PolarHBondContact O-N 2.92Å; S167-H225 WeakPolarHBondContact CB-O 3.44Å; S167-H225 PolarHBondContact OG-O 2.99Å
168Q92.1Very high96.6Very high39 Ų3926.5 Ų26.518%0.18212%0.124CC..SBendtrans-114.42.6163-63.4176.3-34.300112.5G196 L197 F198 Y227Q168-G196 WeakPolarHBondContact O-CA 3.33Å; Q168-G196 PolarHBondContact O-N 2.82Å; Q168-L197 WeakPolarHBondContact CA-O 3.3Å; Q168-F198 HydrophobicContact CG-CD1 3.89Å; Q168-F198 HydrophobicContact CG-CE1 4.07Å; Q168-F198 HydrophobicContact CG-CG 4.34Å; Q168-Y227 HydrophobicContact CG-CD2 4.15Å
169W92.8Very high96.4Very high108 Ų10824 Ų2441%0.40912%0.118SC..SBendtrans-138.9176.8-171.4-58.2-85.3000111.3S167 I171 T193 Q199 H225S167-W169 PolarHBondContact OG-N 3.03Å; S167-W169 PolarHBondContact OG-O 3.45Å; W169-I171 PolarHBondContact O-N 3.19Å; W169-T193 CarbonylContact C-O 3.53Å; W169-Q199 PolarHBondContact O-NE2 2.78Å; W169-H225 HydrophobicContact CB-CB 3.78Å; W169-H225 HydrophobicContact CD2-CB 4.42Å; W169-H225 HydrophobicContact CE3-CB 4.18Å; W169-H225 HydrophobicContact CG-CB 4.3Å
170E93.5Very high96.1Very high56 Ų5633.9 Ų33.926%0.26216%0.155SC..  trans-53.2126.7174.6-63.7-166.488.600111.9D191 N194 K223E170-D191 WeakPolarHBondContact CA-O 3.25Å; E170-N194 HydrophobicContact CG-CB 4.35Å; E170-K223 HydrophobicContact CB-CB 4.26Å; E170-K223 HydrophobicContact CB-CD 4.47Å; E170-K223 HydrophobicContact CB-CG 4.3Å; E170-K223 CarbonylContact O-C 3.45Å; E170-K223 WeakPolarHBondContact OE1-CE 3.42Å; E170-K223 IonicContact OE1-NZ 2.75Å; E170-K223 PolarHBondContact OE1-NZ 3.43Å
171I95.1Very high95.5Very high0 Ų033.1 Ų33.10%017%0.172CC..EExtended strand (participates in β ladder)trans-140.2131.1-176.2178.3163.4000109.9V165 W169 L173 C190 D191 V201 K223 I226V165-I171 HydrophobicContact CB-CD1 4.35Å; V165-I171 HydrophobicContact CG1-CD1 3.67Å; W169-I171 PolarHBondContact O-N 3.19Å; I171-L173 HydrophobicContact CD1-CD1 4.03Å; I171-L173 HydrophobicContact CD1-CD2 4.38Å; I171-L173 HydrophobicContact CD1-CG 4.14Å; I171-L173 HydrophobicContact CG1-CD1 4.33Å; I171-L173 HydrophobicContact CG1-CD2 4.21Å; I171-L173 HydrophobicContact CG1-CG 3.92Å; I171-C190 CarbonylContact O-C 3.53Å; I171-C190 VanDerWaalsContact O-CA 3.23Å; I171-C190 WeakPolarHBondContact O-CA 3.37Å; I171-D191 HydrophobicContact CG2-CB 4.15Å; I171-D191 PolarHBondContact N-O 3.49Å; I171-D191 PolarHBondContact O-N 2.93Å; I171-V201 HydrophobicContact CG2-CB 4.42Å; I171-V201 HydrophobicContact CG2-CG2 3.41Å; I171-V201 VanDerWaalsContact CG2-CG2 3.41Å; I171-K223 CarbonylContact C-O 3.56Å; I171-K223 VanDerWaalsContact CA-O 3.3Å; I171-K223 WeakPolarHBondContact CA-O 3.49Å; I171-I226 HydrophobicContact CD1-CG1 3.9Å
172C96.1Very high95.2Very high17 Ų1739.3 Ų39.312%0.11520%0.201CC..EExtended strand (participates in β ladder)trans-137.4119.8177-81.60000107.9F189 C190 D220 K223C172-F189 WeakPolarHBondContact CA-O 3.47Å; C172-C190 VanDerWaalsContact CA-SG 3.6Å; C172-C190 HydrophobicContact CB-CB 4.17Å; C172-C190 WeakPolarHBondContact CB-SG 3.32Å; C172-C190 WeakPolarHBondContact SG-CB 3.22Å; C172-C190 CovalentContact SG-SG 2.04Å; C172-C190 PolarHBondContact SG-SG 3.09Å; C172-D220 HydrophobicContact CB-CB 3.69Å; C172-D220 PolarHBondContact O-N 2.91Å; C172-K223 HydrophobicContact CB-CB 4.16Å; C172-K223 PolarHBondContact N-O 3.05Å
173L97.4Very high95.1Very high1 Ų141.9 Ų41.91%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-126.9144.2-177.3-59.5-178.4000111V131 F163 V165 I171 G188 F189 V217 E218 K219 I226V131-L173 HydrophobicContact CG2-CD2 4.05Å; F163-L173 HydrophobicContact CD2-CD1 3.98Å; F163-L173 HydrophobicContact CE1-CB 4.37Å; F163-L173 HydrophobicContact CE2-CB 3.98Å; F163-L173 HydrophobicContact CE2-CD1 3.63Å; F163-L173 HydrophobicContact CE2-CG 4.41Å; F163-L173 HydrophobicContact CZ-CB 3.67Å; F163-L173 HydrophobicContact CZ-CD1 4.17Å; V165-L173 HydrophobicContact CB-CD1 3.5Å; V165-L173 HydrophobicContact CG1-CD1 3.81Å; V165-L173 HydrophobicContact CG2-CD1 3.49Å; V165-L173 VanDerWaalsContact CG2-CD1 3.49Å; I171-L173 HydrophobicContact CD1-CD1 4.03Å; I171-L173 HydrophobicContact CD1-CD2 4.38Å; I171-L173 HydrophobicContact CD1-CG 4.14Å; I171-L173 HydrophobicContact CG1-CD1 4.33Å; I171-L173 HydrophobicContact CG1-CD2 4.21Å; I171-L173 HydrophobicContact CG1-CG 3.92Å; L173-G188 CarbonylContact O-C 3.53Å; L173-G188 VanDerWaalsContact O-CA 3.28Å; L173-G188 WeakPolarHBondContact O-CA 3.24Å; L173-F189 PolarHBondContact N-O 2.91Å; L173-F189 PolarHBondContact O-N 3.38Å; L173-V217 HydrophobicContact CB-CG1 4.13Å; L173-V217 HydrophobicContact CD1-CG1 4.28Å; L173-V217 HydrophobicContact CD2-CG1 4.38Å; L173-E218 CarbonylContact C-O 3.38Å; L173-E218 WeakPolarHBondContact CA-O 3.26Å; L173-K219 HydrophobicContact CD2-CB 3.59Å; L173-I226 HydrophobicContact CD2-CD1 4.27Å
174S97Very high94.8Very high24 Ų2449.5 Ų49.517%0.16825%0.245CC..EExtended strand (participates in β ladder)trans-128.1144.3174.8-69.30000110.6G188 V217 E218S174-G188 VanDerWaalsContact OG-CA 3.22Å; S174-G188 WeakPolarHBondContact OG-CA 3.3Å; S174-V217 WeakPolarHBondContact O-CA 3.28Å; S174-E218 PolarHBondContact N-O 3.39Å; S174-E218 PolarHBondContact O-N 2.87Å
175I98Very high94.3Very high1 Ų154 Ų541%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-84125.2165.4-64.4170.6000106.9F161 F163 S186 M205 L207 V215F161-I175 HydrophobicContact CB-CD1 4.13Å; F163-I175 HydrophobicContact CD1-CD1 4.07Å; F163-I175 HydrophobicContact CD1-CG1 3.94Å; F163-I175 HydrophobicContact CE1-CD1 4.19Å; F163-I175 HydrophobicContact CE1-CG1 3.89Å; I175-S186 PolarHBondContact N-OG 2.88Å; I175-S186 WeakPolarHBondContact O-CB 3.38Å; I175-S186 PolarHBondContact O-N 3.44Å; I175-S186 PolarHBondContact O-OG 2.83Å; I175-M205 HydrophobicContact CB-CG 4.3Å; I175-M205 HydrophobicContact CB-SD 3.78Å; I175-M205 HydrophobicContact CD1-CG 3.95Å; I175-M205 HydrophobicContact CG2-CG 4.15Å; I175-M205 HydrophobicContact CG2-SD 3.75Å; I175-L207 HydrophobicContact CG2-CD1 4.23Å; I175-V215 HydrophobicContact CG2-CG1 3.61Å
176V97.6Very high93.7Very high0 Ų055.4 Ų55.40%027%0.268CS..EExtended strand (participates in β ladder)trans-116.6132.1-176.3-177.20000108.3V183 R185 V215 W216 E218V176-V183 HydrophobicContact CG1-CG1 3.38Å; V176-R185 HydrophobicContact CG1-CG 4.06Å; V176-R185 HydrophobicContact CG2-CB 4.44Å; V176-R185 HydrophobicContact CG2-CG 3.83Å; V176-V215 CarbonylContact O-C 3.56Å; V176-V215 VanDerWaalsContact O-CA 3.28Å; V176-V215 WeakPolarHBondContact O-CA 3.43Å; V176-W216 HydrophobicContact CB-CD2 4.4Å; V176-W216 HydrophobicContact CB-CZ2 4.29Å; V176-W216 HydrophobicContact CG1-CH2 4.29Å; V176-W216 HydrophobicContact CG1-CZ2 3.65Å; V176-W216 PolarHBondContact N-O 3.03Å; V176-W216 PolarHBondContact O-N 2.83Å; V176-E218 HydrophobicContact CB-CG 4.25Å; V176-E218 HydrophobicContact CG2-CB 3.87Å; V176-E218 HydrophobicContact CG2-CG 3.62Å
177S97.7Very high93.4Very high16 Ų1661.8 Ų61.811%0.11230%0.302CS..EExtended strand (participates in β ladder)trans-114.9151.7172.364.20000111.3V183 R184 Q214S177-V183 CarbonylContact O-C 3.53Å; S177-V183 WeakPolarHBondContact O-CA 3.36Å; S177-R184 PolarHBondContact N-O 3.24Å; S177-R184 PolarHBondContact O-N 2.79Å; S177-Q214 CarbonylContact C-O 3.58Å; S177-Q214 WeakPolarHBondContact CA-O 3.39Å
178S97.2Very high93.2Very high18 Ų1863.9 Ų63.913%0.12632%0.323CS..EExtended strand (participates in β ladder)trans-130.2126.7172-174.30000110.3Q182 D213 Q214S178-Q182 VanDerWaalsContact CA-O 3.31Å; S178-Q182 WeakPolarHBondContact CA-O 3.4Å; S178-D213 VanDerWaalsContact O-CA 3.3Å; S178-D213 WeakPolarHBondContact O-CA 3.37Å; S178-Q214 PolarHBondContact N-O 3.18Å; S178-Q214 PolarHBondContact O-N 2.92Å
179S95.2Very high93.3Very high23 Ų2365.2 Ų65.216%0.16133%0.328CS..EExtended strand (participates in β ladder)trans-126.2122.5176.1152.30000108.6G181 Q182 D213S179-G181 PolarHBondContact O-N 2.91Å; S179-G181 VanDerWaalsContact O-N 3.16Å; S179-Q182 PolarHBondContact N-O 2.95Å; S179-Q182 WeakPolarHBondContact O-CB 3.05Å; S179-Q182 PolarHBondContact O-N 2.8Å; S179-D213 VanDerWaalsContact CA-OD1 3.25Å; S179-D213 WeakPolarHBondContact CA-OD1 3.37Å; S179-D213 WeakPolarHBondContact CB-OD1 3.39Å
180R91Very high93.4Very high208 Ų20863.7 Ų63.779%0.78533%0.333SS*.THydrogen-bonded Turntrans50.238.7-179.5-56.3-179.9-176-109.2-3113.3Q182 Q210R180-Q182 PolarHBondContact O-N 3.34Å; R180-Q210 VanDerWaalsContact NH2-OE1 3.16Å
181G85.7Confident93.3Very high66 Ų6663 Ų6368%0.6833%0.332SS*.THydrogen-bonded Turntrans79.1-10.6-178.100000115.3S179 V183S179-G181 PolarHBondContact O-N 2.91Å; S179-G181 VanDerWaalsContact O-N 3.16Å; G181-V183 PolarHBondContact O-N 2.93Å
182Q93.7Very high93Very high130 Ų13067.2 Ų67.261%0.60736%0.358SS*.EExtended strand (participates in β ladder)trans-80.2120.3172.2-65-172.3-36.700109.8S178 S179 R180S178-Q182 VanDerWaalsContact CA-O 3.31Å; S178-Q182 WeakPolarHBondContact CA-O 3.4Å; S179-Q182 PolarHBondContact N-O 2.95Å; S179-Q182 WeakPolarHBondContact O-CB 3.05Å; S179-Q182 PolarHBondContact O-N 2.8Å; R180-Q182 PolarHBondContact O-N 3.34Å
183V94.3Very high92.4Very high77 Ų7769.1 Ų69.147%0.46737%0.368SS..EExtended strand (participates in β ladder)trans-90128.1178-178.80000109.7V176 S177 G181V176-V183 HydrophobicContact CG1-CG1 3.38Å; S177-V183 CarbonylContact O-C 3.53Å; S177-V183 WeakPolarHBondContact O-CA 3.36Å; G181-V183 PolarHBondContact O-N 2.93Å
184R92.2Very high91.5Very high161 Ų16174 Ų7461%0.60840%0.395SS*.EExtended strand (participates in β ladder)trans-115.6118.3173.4-65.2-177.5179.3177.40.5108.6S177S177-R184 PolarHBondContact N-O 3.24Å; S177-R184 PolarHBondContact O-N 2.79Å
185R86.9Confident91Very high170 Ų17080.9 Ų80.964%0.64242%0.421SS*.EExtended strand (participates in β ladder)trans-92.9131.2172.7-67-165.217992.85.7110V176 E218V176-R185 HydrophobicContact CG1-CG 4.06Å; V176-R185 HydrophobicContact CG2-CB 4.44Å; V176-R185 HydrophobicContact CG2-CG 3.83Å; R185-E218 IonicContact CZ-OE2 3.48Å; R185-E218 IonicContact NE-OE2 2.87Å; R185-E218 PolarHBondContact NE-OE2 3.48Å; R185-E218 IonicContact NH2-OE2 3.17Å; R185-E218 PolarHBondContact NH2-OE2 3.26Å; R185-E218 VanDerWaalsContact NH2-OE2 3.17Å
186S85Confident90.4Very high28 Ų2882.8 Ų82.820%0.19644%0.441CS..EExtended strand (participates in β ladder)trans-71.4172.8169.376.90000111.4I175 G188 M205I175-S186 PolarHBondContact N-OG 2.88Å; I175-S186 WeakPolarHBondContact O-CB 3.38Å; I175-S186 PolarHBondContact O-N 3.44Å; I175-S186 PolarHBondContact O-OG 2.83Å; S186-G188 PolarHBondContact O-N 2.92Å; S186-M205 VanDerWaalsContact CB-SD 3.51Å
187L88.6Confident89.9Confident155 Ų15588.2 Ų88.281%0.81247%0.47SS*.EExtended strand (participates in β ladder)trans-54.1139.4161.1-65.5172.5000109.7
188G90.3Very high89.5Confident43 Ų4392.6 Ų92.644%0.44349%0.487SS..EExtended strand (participates in β ladder)trans-82.414817500000111.8L173 S174 S186L173-G188 CarbonylContact O-C 3.53Å; L173-G188 VanDerWaalsContact O-CA 3.28Å; L173-G188 WeakPolarHBondContact O-CA 3.24Å; S174-G188 VanDerWaalsContact OG-CA 3.22Å; S174-G188 WeakPolarHBondContact OG-CA 3.3Å; S186-G188 PolarHBondContact O-N 2.92Å
189F94.7Very high89.2Confident67 Ų6792.7 Ų92.729%0.29449%0.486SS..EExtended strand (participates in β ladder)trans-105.4121.8171.2-56.7-92.6000107.4F163 C172 L173 V201F163-F189 HydrophobicContact CE1-CD2 4.01Å; F163-F189 HydrophobicContact CE1-CE2 4.46Å; F163-F189 HydrophobicContact CZ-CB 4.08Å; F163-F189 AromaticContact CZ-CD2 3.77Å; F163-F189 HydrophobicContact CZ-CD2 3.77Å; F163-F189 HydrophobicContact CZ-CG 4.17Å; C172-F189 WeakPolarHBondContact CA-O 3.47Å; L173-F189 PolarHBondContact N-O 2.91Å; L173-F189 PolarHBondContact O-N 3.38Å; F189-V201 HydrophobicContact CB-CG1 3.75Å
190C94.5Very high89.2Confident76 Ų7695.4 Ų95.451%0.51450%0.501SS..EExtended strand (participates in β ladder)trans-128.6142.8-170.9-69.90000112I171 C172I171-C190 CarbonylContact O-C 3.53Å; I171-C190 VanDerWaalsContact O-CA 3.23Å; I171-C190 WeakPolarHBondContact O-CA 3.37Å; C172-C190 VanDerWaalsContact CA-SG 3.6Å; C172-C190 HydrophobicContact CB-CB 4.17Å; C172-C190 WeakPolarHBondContact CB-SG 3.32Å; C172-C190 WeakPolarHBondContact SG-CB 3.22Å; C172-C190 CovalentContact SG-SG 2.04Å; C172-C190 PolarHBondContact SG-SG 3.09Å
191D92.2Very high89.4Confident43 Ų4386 Ų8623%0.2347%0.466CS..EExtended strand (participates in β ladder)trans-126.8121.6161.4-171.9-13.4000108.1E170 I171 T193 V201E170-D191 WeakPolarHBondContact CA-O 3.25Å; I171-D191 HydrophobicContact CG2-CB 4.15Å; I171-D191 PolarHBondContact N-O 3.49Å; I171-D191 PolarHBondContact O-N 2.93Å; D191-T193 WeakPolarHBondContact OD1-CB 3.33Å; D191-T193 PolarHBondContact OD1-N 3.01Å; D191-T193 PolarHBondContact OD1-OG1 2.6Å; D191-V201 HydrophobicContact CB-CG2 3.52Å
192T87.9Confident89.9Confident88 Ų8886 Ų8654%0.5446%0.456SS..  trans-99.714.3-177.558.70000112.4N194T192-N194 PolarHBondContact O-N 3.27Å
193T84.2Confident90Very high56 Ų5680 Ų8034%0.34443%0.429SS..  trans-74.3124177.9-55.50000110W169 D191 K195 Q199W169-T193 CarbonylContact C-O 3.53Å; D191-T193 WeakPolarHBondContact OD1-CB 3.33Å; D191-T193 PolarHBondContact OD1-N 3.01Å; D191-T193 PolarHBondContact OD1-OG1 2.6Å; T193-K195 HydrophobicContact CG2-CB 4.19Å; T193-K195 HydrophobicContact CG2-CD 4.29Å; T193-K195 HydrophobicContact CG2-CG 4.02Å; T193-Q199 VanDerWaalsContact CB-OE1 3.31Å; T193-Q199 PolarHBondContact O-NE2 2.99Å; T193-Q199 PolarHBondContact O-OE1 2.92Å
194N78.5Confident90.1Very high104 Ų10477.6 Ų77.656%0.55642%0.42SS*.  trans-122.249.3-179.5-166.913.4000111.4E170 T192E170-N194 HydrophobicContact CG-CB 4.35Å; T192-N194 PolarHBondContact O-N 3.27Å
195K86.1Confident90.4Very high168 Ų16872.4 Ų72.473%0.7340%0.403SS*.SBendtrans-96.73.8-179.3-67.5-175.2178.7178.90113.5T193 L197T193-K195 HydrophobicContact CG2-CB 4.19Å; T193-K195 HydrophobicContact CG2-CD 4.29Å; T193-K195 HydrophobicContact CG2-CG 4.02Å; K195-L197 HydrophobicContact CB-CD1 4.38Å; K195-L197 HydrophobicContact CB-CG 4.3Å; K195-L197 PolarHBondContact O-N 3.43Å
196G84.4Confident90.9Very high41 Ų4168 Ų6842%0.42340%0.395SS..SBendtrans6915-175.700000114.2Q168Q168-G196 WeakPolarHBondContact O-CA 3.33Å; Q168-G196 PolarHBondContact O-N 2.82Å
197L87.6Confident91.4Very high115 Ų11567.8 Ų67.860%0.60239%0.392SS*.  trans-95147.1177.5-63176.8000109.8Q168 K195 Q199Q168-L197 WeakPolarHBondContact CA-O 3.3Å; K195-L197 HydrophobicContact CB-CD1 4.38Å; K195-L197 HydrophobicContact CB-CG 4.3Å; K195-L197 PolarHBondContact O-N 3.43Å; L197-Q199 PolarHBondContact O-N 2.8Å
198F90.2Very high91.8Very high108 Ų10866.3 Ų66.347%0.47438%0.381SS..  trans-60128.4171.7-73.7-74.1000111.1Q168 Y227Q168-F198 HydrophobicContact CG-CD1 3.89Å; Q168-F198 HydrophobicContact CG-CE1 4.07Å; Q168-F198 HydrophobicContact CG-CG 4.34Å; F198-Y227 HydrophobicContact CD1-CD2 4.45Å; F198-Y227 HydrophobicContact CD1-CG 4.45Å; F198-Y227 AromaticContact CE1-CD1 3.9Å; F198-Y227 HydrophobicContact CE1-CD1 3.9Å; F198-Y227 AromaticContact CE1-CD2 3.62Å; F198-Y227 HydrophobicContact CE1-CD2 3.62Å; F198-Y227 AromaticContact CE1-CE1 3.7Å; F198-Y227 HydrophobicContact CE1-CE1 3.7Å; F198-Y227 AromaticContact CE1-CE2 3.41Å; F198-Y227 HydrophobicContact CE1-CE2 3.41Å; F198-Y227 VanDerWaalsContact CE1-CE2 3.41Å; F198-Y227 AromaticContact CE1-CG 3.85Å; F198-Y227 HydrophobicContact CE1-CG 3.85Å; F198-Y227 AromaticContact CE1-CZ 3.43Å; F198-Y227 VanDerWaalsContact CE1-CZ 3.43Å; F198-Y227 HydrophobicContact CZ-CD2 4.37Å; F198-Y227 HydrophobicContact CZ-CE1 4.33Å; F198-Y227 AromaticContact CZ-CE2 3.74Å; F198-Y227 HydrophobicContact CZ-CE2 3.74Å; F198-Y227 AromaticContact CZ-CZ 3.71Å
199Q91.1Very high92.1Very high20 Ų2064.5 Ų64.59%0.09336%0.361CS..EExtended strand (participates in β ladder)trans-136.2157.8174.369-1474.700110.5L166 S167 W169 T193 L197L166-Q199 CarbonylContact C-O 3.32Å; L166-Q199 VanDerWaalsContact CA-O 3.29Å; L166-Q199 WeakPolarHBondContact CA-O 3.11Å; S167-Q199 PolarHBondContact N-O 2.93Å; S167-Q199 WeakPolarHBondContact O-CG 3.35Å; S167-Q199 PolarHBondContact O-N 2.92Å; W169-Q199 PolarHBondContact O-NE2 2.78Å; T193-Q199 VanDerWaalsContact CB-OE1 3.31Å; T193-Q199 PolarHBondContact O-NE2 2.99Å; T193-Q199 PolarHBondContact O-OE1 2.92Å; L197-Q199 PolarHBondContact O-N 2.8Å
200V94.1Very high92.2Very high80 Ų8066 Ų6649%0.48537%0.369SS..EExtended strand (participates in β ladder)trans-125.7113.1-178.3-174.90000108.9Q164 V165 L166Q164-V200 HydrophobicContact CB-CG1 4.01Å; V165-V200 CarbonylContact O-C 3.5Å; V165-V200 WeakPolarHBondContact O-CA 3.19Å; L166-V200 HydrophobicContact CD2-CG2 3.87Å; L166-V200 HydrophobicContact CG-CG2 4.08Å
201V95.7Very high92.3Very high9 Ų969.2 Ų69.26%0.05538%0.376CS..EExtended strand (participates in β ladder)trans-88121.3167.9177.70000108.2F163 V165 I171 F189 D191F163-V201 HydrophobicContact CE2-CG1 4Å; F163-V201 WeakPolarHBondContact CE2-O 3.28Å; V165-V201 PolarHBondContact N-O 2.92Å; V165-V201 PolarHBondContact O-N 3.16Å; I171-V201 HydrophobicContact CG2-CB 4.42Å; I171-V201 HydrophobicContact CG2-CG2 3.41Å; I171-V201 VanDerWaalsContact CG2-CG2 3.41Å; F189-V201 HydrophobicContact CB-CG1 3.75Å; D191-V201 HydrophobicContact CB-CG2 3.52Å
202S96.4Very high92.5Very high66 Ų6669.4 Ų69.446%0.46239%0.388SS..EExtended strand (participates in β ladder)trans-111.3140.5175.2-57.30000109.9F163F163-S202 VanDerWaalsContact O-CA 3.28Å; F163-S202 WeakPolarHBondContact O-CA 3.01Å
203G95.9Very high93Very high5 Ų565.8 Ų65.85%0.05237%0.365CS..EExtended strand (participates in β ladder)trans-146158.8176.300000110.3T162 F163T162-G203 CarbonylContact C-O 3.53Å; T162-G203 WeakPolarHBondContact CA-O 3.17Å; T162-G203 PolarHBondContact OG1-O 2.89Å; F163-G203 PolarHBondContact N-O 3.34Å; F163-G203 PolarHBondContact O-N 2.83Å; F163-G203 VanDerWaalsContact O-N 3.09Å
204G96.6Very high93.7Very high26 Ų2665.5 Ų65.527%0.26836%0.36SS..EExtended strand (participates in β ladder)trans-169.8154.2174.200000112.2F161F161-G204 CarbonylContact O-C 3.59Å; F161-G204 WeakPolarHBondContact O-CA 3.41Å
205M96.7Very high94.6Very high53 Ų5360.6 Ų60.626%0.26133%0.334SS..EExtended strand (participates in β ladder)trans-156.4159.4177.970.2-179.1-51.200111.6F161 I175 S186 L207F161-M205 PolarHBondContact N-O 3.02Å; F161-M205 PolarHBondContact O-N 2.89Å; I175-M205 HydrophobicContact CB-CG 4.3Å; I175-M205 HydrophobicContact CB-SD 3.78Å; I175-M205 HydrophobicContact CD1-CG 3.95Å; I175-M205 HydrophobicContact CG2-CG 4.15Å; I175-M205 HydrophobicContact CG2-SD 3.75Å; S186-M205 VanDerWaalsContact CB-SD 3.51Å; M205-L207 HydrophobicContact CE-CD2 3.41Å; M205-L207 VanDerWaalsContact CE-CD2 3.41Å; M205-L207 HydrophobicContact CE-CG 4.04Å; M205-L207 HydrophobicContact CG-CD1 4.4Å; M205-L207 HydrophobicContact CG-CD2 4.49Å; M205-L207 HydrophobicContact CG-CG 4.06Å; M205-L207 HydrophobicContact SD-CD1 4.16Å; M205-L207 HydrophobicContact SD-CD2 3.9Å; M205-L207 HydrophobicContact SD-CG 4.01Å
206V97.4Very high95.2Very high78 Ų7853 Ų5347%0.47330%0.3SS..EExtended strand (participates in β ladder)trans-95.7134.9168.3179.50000108.9Y158 Y159 Y160 I241Y158-V206 HydrophobicContact CD1-CG1 4.41Å; Y159-V206 CarbonylContact O-C 3.59Å; Y159-V206 VanDerWaalsContact O-CA 3.24Å; Y159-V206 WeakPolarHBondContact O-CA 3.2Å; Y160-V206 HydrophobicContact CD2-CG2 3.9Å; V206-I241 HydrophobicContact CG1-CD1 3.96Å; V206-I241 HydrophobicContact CG2-CD1 4.02Å
207L96.7Very high95.9Very high22 Ų2251 Ų5112%0.11528%0.28CS..EExtended strand (participates in β ladder)trans-126.9136.3176.1-70.4172.3000109.9Y158 Y159 F161 I175 M205 L209 V215Y158-L207 WeakPolarHBondContact CA-O 3.37Å; Y159-L207 PolarHBondContact N-O 2.92Å; Y159-L207 PolarHBondContact O-N 2.91Å; F161-L207 HydrophobicContact CD2-CB 4.44Å; F161-L207 HydrophobicContact CD2-CD1 3.93Å; F161-L207 HydrophobicContact CD2-CG 4.42Å; F161-L207 HydrophobicContact CE2-CB 4.23Å; F161-L207 HydrophobicContact CE2-CD1 4.01Å; I175-L207 HydrophobicContact CG2-CD1 4.23Å; M205-L207 HydrophobicContact CE-CD2 3.41Å; M205-L207 VanDerWaalsContact CE-CD2 3.41Å; M205-L207 HydrophobicContact CE-CG 4.04Å; M205-L207 HydrophobicContact CG-CD1 4.4Å; M205-L207 HydrophobicContact CG-CD2 4.49Å; M205-L207 HydrophobicContact CG-CG 4.06Å; M205-L207 HydrophobicContact SD-CD1 4.16Å; M205-L207 HydrophobicContact SD-CD2 3.9Å; M205-L207 HydrophobicContact SD-CG 4.01Å; L207-L209 HydrophobicContact CB-CD2 3.96Å; L207-L209 HydrophobicContact CB-CG 4.18Å; L207-L209 HydrophobicContact CD1-CD2 4.49Å; L207-V215 HydrophobicContact CD1-CG1 3.92Å; L207-V215 HydrophobicContact CD1-CG2 3.82Å
208Q96.7Very high96.3Very high125 Ų12546.8 Ų46.858%0.58426%0.258SS*.EExtended strand (participates in β ladder)trans-88.3123.7164.2-172.5-179.311.900108.3G157 Y158G157-Q208 WeakPolarHBondContact O-CA 3.37Å; Y158-Q208 HydrophobicContact CD1-CB 3.98Å; Y158-Q208 HydrophobicContact CD1-CG 4.31Å; Y158-Q208 HydrophobicContact CD2-CG 4.48Å; Y158-Q208 HydrophobicContact CE1-CB 3.76Å; Y158-Q208 HydrophobicContact CE1-CG 3.92Å; Y158-Q208 HydrophobicContact CE2-CG 4.12Å; Y158-Q208 PolarHBondContact OH-NE2 3.23Å; Y158-Q208 PolarHBondContact OH-OE1 2.8Å
209L97.4Very high96.6Very high5 Ų544.9 Ų44.93%0.02625%0.249CC..EExtended strand (participates in β ladder)trans-123.1143.3-174.2-59.3-179.2000111.3F151 C153 P156 G157 Y159 F161 L207 D213 V215F151-L209 HydrophobicContact CD1-CD1 4.22Å; F151-L209 HydrophobicContact CE1-CD1 3.67Å; C153-L209 HydrophobicContact CB-CB 4.05Å; C153-L209 HydrophobicContact CB-CD1 4.18Å; P156-L209 WeakPolarHBondContact CA-O 3.31Å; G157-L209 PolarHBondContact N-O 3.14Å; G157-L209 PolarHBondContact O-N 3.39Å; Y159-L209 HydrophobicContact CD2-CB 4.2Å; Y159-L209 HydrophobicContact CD2-CD1 3.81Å; Y159-L209 HydrophobicContact CD2-CG 4.17Å; Y159-L209 HydrophobicContact CE2-CB 4.46Å; Y159-L209 HydrophobicContact CE2-CD1 4.39Å; Y159-L209 HydrophobicContact CG-CD1 4.12Å; F161-L209 HydrophobicContact CE2-CD1 3.91Å; F161-L209 HydrophobicContact CZ-CD1 3.87Å; L207-L209 HydrophobicContact CB-CD2 3.96Å; L207-L209 HydrophobicContact CB-CG 4.18Å; L207-L209 HydrophobicContact CD1-CD2 4.49Å; L209-D213 HydrophobicContact CB-CB 4.26Å; L209-D213 HydrophobicContact CD2-CB 4.11Å; L209-V215 HydrophobicContact CD1-CG2 3.75Å; L209-V215 HydrophobicContact CD2-CG2 3.89Å; L209-V215 HydrophobicContact CG-CG2 4.49Å
210Q96.8Very high96.8Very high98 Ų9846.9 Ų46.946%0.45826%0.261SS..  trans-95166.5166.3-65.9179.740.100110.4C153 R180 G212 D213C153-Q210 WeakPolarHBondContact CB-O 3.5Å; C153-Q210 PolarHBondContact SG-O 2.93Å; R180-Q210 VanDerWaalsContact NH2-OE1 3.16Å; Q210-G212 PolarHBondContact O-N 2.87Å; Q210-D213 PolarHBondContact N-OD2 2.78Å; Q210-D213 VanDerWaalsContact O-CB 3.3Å; Q210-D213 WeakPolarHBondContact O-CB 3.46Å; Q210-D213 PolarHBondContact O-N 2.91Å; Q210-D213 VanDerWaalsContact O-N 3.14Å
211Q96.1Very high96.8Very high144 Ų14447.8 Ų47.867%0.67327%0.268SS*.THydrogen-bonded Turntrans-61.2131.9177.2-170.9175.433.300110.7P156 D213P156-Q211 HydrophobicContact CG-CB 4.05Å; Q211-D213 VanDerWaalsContact C-N 3.29Å
212G96.7Very high96.6Very high46 Ų4656 Ų5647%0.47430%0.303SS..THydrogen-bonded Turntrans85.5-8.9-177.500000114.7C153 Q210C153-G212 PolarHBondContact O-N 2.89Å; Q210-G212 PolarHBondContact O-N 2.87Å
213D98.1Very high96.4Very high12 Ų1256.3 Ų56.36%0.06430%0.296CS..  trans-62144.5173-70.9-6.4000110.3C153 S178 S179 L209 Q210 Q211C153-D213 HydrophobicContact CB-CB 4.28Å; C153-D213 WeakPolarHBondContact CB-O 3.3Å; C153-D213 PolarHBondContact N-O 2.8Å; S178-D213 VanDerWaalsContact O-CA 3.3Å; S178-D213 WeakPolarHBondContact O-CA 3.37Å; S179-D213 VanDerWaalsContact CA-OD1 3.25Å; S179-D213 WeakPolarHBondContact CA-OD1 3.37Å; S179-D213 WeakPolarHBondContact CB-OD1 3.39Å; L209-D213 HydrophobicContact CB-CB 4.26Å; L209-D213 HydrophobicContact CD2-CB 4.11Å; Q210-D213 PolarHBondContact N-OD2 2.78Å; Q210-D213 VanDerWaalsContact O-CB 3.3Å; Q210-D213 WeakPolarHBondContact O-CB 3.46Å; Q210-D213 PolarHBondContact O-N 2.91Å; Q210-D213 VanDerWaalsContact O-N 3.14Å; Q211-D213 VanDerWaalsContact C-N 3.29Å
214Q98.2Very high96.2Very high51 Ų5156.4 Ų56.424%0.23830%0.297CS..EExtended strand (participates in β ladder)trans-115.9146.4-177-64.7-169.3-22.400111.2F151 V152 S177 S178 W216F151-Q214 CarbonylContact O-C 3.59Å; F151-Q214 VanDerWaalsContact O-CA 3.22Å; F151-Q214 WeakPolarHBondContact O-CA 3.33Å; V152-Q214 HydrophobicContact CG2-CG 4.17Å; S177-Q214 CarbonylContact C-O 3.58Å; S177-Q214 WeakPolarHBondContact CA-O 3.39Å; S178-Q214 PolarHBondContact N-O 3.18Å; S178-Q214 PolarHBondContact O-N 2.92Å; Q214-W216 HydrophobicContact CB-CE3 4.06Å; Q214-W216 HydrophobicContact CB-CZ3 3.69Å
215V98.5Very high96Very high0 Ų060.2 Ų60.20%031%0.308CS..EExtended strand (participates in β ladder)trans-135.6137.2176.1-175.80000110.4F151 F161 I175 V176 L207 L209F151-V215 HydrophobicContact CB-CB 4.28Å; F151-V215 HydrophobicContact CD1-CB 4.25Å; F151-V215 HydrophobicContact CD1-CG2 4.29Å; F151-V215 PolarHBondContact N-O 2.88Å; F151-V215 PolarHBondContact O-N 2.87Å; F161-V215 HydrophobicContact CD1-CG1 4.17Å; F161-V215 HydrophobicContact CD2-CG1 4.16Å; F161-V215 HydrophobicContact CE1-CB 4.14Å; F161-V215 HydrophobicContact CE1-CG1 4.14Å; F161-V215 HydrophobicContact CE2-CB 4.31Å; F161-V215 HydrophobicContact CE2-CG1 4.13Å; F161-V215 HydrophobicContact CE2-CG2 3.93Å; F161-V215 HydrophobicContact CG-CG1 4.17Å; F161-V215 HydrophobicContact CZ-CB 3.96Å; F161-V215 HydrophobicContact CZ-CG1 4.13Å; F161-V215 HydrophobicContact CZ-CG2 3.84Å; I175-V215 HydrophobicContact CG2-CG1 3.61Å; V176-V215 CarbonylContact O-C 3.56Å; V176-V215 VanDerWaalsContact O-CA 3.28Å; V176-V215 WeakPolarHBondContact O-CA 3.43Å; L207-V215 HydrophobicContact CD1-CG1 3.92Å; L207-V215 HydrophobicContact CD1-CG2 3.82Å; L209-V215 HydrophobicContact CD1-CG2 3.75Å; L209-V215 HydrophobicContact CD2-CG2 3.89Å; L209-V215 HydrophobicContact CG-CG2 4.49Å
216W98.2Very high95.9Very high8 Ų859 Ų593%0.0330%0.302CS..EExtended strand (participates in β ladder)trans-152.3172.8176.460.795.1000111.6V130 G149 R150 V176 Q214 E218V130-W216 HydrophobicContact CG1-CB 4.33Å; V130-W216 HydrophobicContact CG1-CG 4.33Å; G149-W216 WeakPolarHBondContact O-CB 3.47Å; R150-W216 HydrophobicContact CG-CB 4.09Å; R150-W216 HydrophobicContact CG-CD2 4.47Å; R150-W216 HydrophobicContact CG-CE3 4.28Å; R150-W216 HydrophobicContact CG-CG 4.43Å; V176-W216 HydrophobicContact CB-CD2 4.4Å; V176-W216 HydrophobicContact CB-CZ2 4.29Å; V176-W216 HydrophobicContact CG1-CH2 4.29Å; V176-W216 HydrophobicContact CG1-CZ2 3.65Å; V176-W216 PolarHBondContact N-O 3.03Å; V176-W216 PolarHBondContact O-N 2.83Å; Q214-W216 HydrophobicContact CB-CE3 4.06Å; Q214-W216 HydrophobicContact CB-CZ3 3.69Å; W216-E218 VanDerWaalsContact CD1-CG 3.44Å; W216-E218 PolarHBondContact NE1-OE1 2.89Å
217V98Very high95.7Very high0 Ų056.3 Ų56.30%028%0.283CS..EExtended strand (participates in β ladder)trans-99.6129.3172.4179.50000108.7V131 F133 F163 L173 S174 F236V131-V217 HydrophobicContact CB-CB 4.11Å; V131-V217 HydrophobicContact CB-CG1 4.05Å; V131-V217 HydrophobicContact CG2-CB 4.49Å; V131-V217 HydrophobicContact CG2-CG1 3.96Å; V131-V217 PolarHBondContact N-O 3.17Å; F133-V217 HydrophobicContact CE2-CB 4.23Å; F133-V217 HydrophobicContact CE2-CG2 4.2Å; F163-V217 HydrophobicContact CB-CG2 4.45Å; F163-V217 HydrophobicContact CD1-CG2 4.04Å; F163-V217 HydrophobicContact CG-CG2 4.48Å; L173-V217 HydrophobicContact CB-CG1 4.13Å; L173-V217 HydrophobicContact CD1-CG1 4.28Å; L173-V217 HydrophobicContact CD2-CG1 4.38Å; S174-V217 WeakPolarHBondContact O-CA 3.28Å; V217-F236 HydrophobicContact CG2-CD1 4.34Å; V217-F236 HydrophobicContact CG2-CD2 3.74Å; V217-F236 HydrophobicContact CG2-CE1 4.36Å; V217-F236 HydrophobicContact CG2-CE2 3.77Å; V217-F236 HydrophobicContact CG2-CG 4.05Å; V217-F236 HydrophobicContact CG2-CZ 4.1Å
218E96.9Very high95.3Very high27 Ų2759.9 Ų59.913%0.12630%0.299CS..EExtended strand (participates in β ladder)trans-108.6140.4169.3-68-168.9161.100110.4N129 L173 S174 V176 R185 W216N129-E218 CarbonylContact O-C 3.54Å; N129-E218 VanDerWaalsContact O-CA 3.28Å; N129-E218 WeakPolarHBondContact O-CA 3.21Å; L173-E218 CarbonylContact C-O 3.38Å; L173-E218 WeakPolarHBondContact CA-O 3.26Å; S174-E218 PolarHBondContact N-O 3.39Å; S174-E218 PolarHBondContact O-N 2.87Å; V176-E218 HydrophobicContact CB-CG 4.25Å; V176-E218 HydrophobicContact CG2-CB 3.87Å; V176-E218 HydrophobicContact CG2-CG 3.62Å; R185-E218 IonicContact CZ-OE2 3.48Å; R185-E218 IonicContact NE-OE2 2.87Å; R185-E218 PolarHBondContact NE-OE2 3.48Å; R185-E218 IonicContact NH2-OE2 3.17Å; R185-E218 PolarHBondContact NH2-OE2 3.26Å; R185-E218 VanDerWaalsContact NH2-OE2 3.17Å; W216-E218 VanDerWaalsContact CD1-CG 3.44Å; W216-E218 PolarHBondContact NE1-OE1 2.89Å
219K96Very high94.9Very high67 Ų6755.4 Ų55.429%0.29129%0.287SS..EExtended strand (participates in β ladder)trans-92.8146.6168.255.7167.1178.1173.40111.1G128 N129 V131 L173 G224G128-K219 WeakPolarHBondContact O-CE 3.31Å; N129-K219 VanDerWaalsContact O-CG 3.3Å; N129-K219 WeakPolarHBondContact O-CG 3.46Å; N129-K219 PolarHBondContact O-N 3.32Å; V131-K219 HydrophobicContact CG2-CB 3.88Å; V131-K219 HydrophobicContact CG2-CG 4.05Å; L173-K219 HydrophobicContact CD2-CB 3.59Å; K219-G224 WeakPolarHBondContact CD-O 3.28Å
220D95.2Very high94.3Very high63 Ų6360.6 Ų60.634%0.33732%0.324SS..EExtended strand (participates in β ladder)trans-61.3133.6168.4-176.4-85.3000109.8C172 K222 K223 G224C172-D220 HydrophobicContact CB-CB 3.69Å; C172-D220 PolarHBondContact O-N 2.91Å; D220-K222 PolarHBondContact O-N 3.47Å; D220-K222 WeakPolarHBondContact OD1-CA 3.45Å; D220-K222 WeakPolarHBondContact OD1-CB 3.29Å; D220-K222 PolarHBondContact OD1-N 2.9Å; D220-K223 HydrophobicContact CB-CB 4.2Å; D220-K223 CarbonylContact O-C 3.48Å; D220-K223 PolarHBondContact O-N 2.78Å; D220-K223 PolarHBondContact OD1-N 2.75Å; D220-G224 VanDerWaalsContact O-CA 3.22Å; D220-G224 WeakPolarHBondContact O-CA 3.41Å; D220-G224 PolarHBondContact O-N 2.7Å; D220-G224 VanDerWaalsContact O-N 3.16Å
221P93.6Very high93.8Very high98 Ų9862.2 Ų62.264%0.63633%0.331SS*.EExtended strand (participates in β ladder)trans-61.8-27.7-177.7-24.934.2000114.4
222K92.7Very high93.4Very high182 Ų18257.1 Ų57.179%0.79131%0.313SS*.EExtended strand (participates in β ladder)trans-98.1-34.1-179.5-61.9-178.2179.4-179.50112D220D220-K222 PolarHBondContact O-N 3.47Å; D220-K222 WeakPolarHBondContact OD1-CA 3.45Å; D220-K222 WeakPolarHBondContact OD1-CB 3.29Å; D220-K222 PolarHBondContact OD1-N 2.9Å
223K91.7Very high93.3Very high72 Ų7258.3 Ų58.331%0.31331%0.309SS..EExtended strand (participates in β ladder)trans-119.858.6-176.5-57.3-171.9-178.8-147.80110.4E170 I171 C172 D220E170-K223 HydrophobicContact CB-CB 4.26Å; E170-K223 HydrophobicContact CB-CD 4.47Å; E170-K223 HydrophobicContact CB-CG 4.3Å; E170-K223 CarbonylContact O-C 3.45Å; E170-K223 WeakPolarHBondContact OE1-CE 3.42Å; E170-K223 IonicContact OE1-NZ 2.75Å; E170-K223 PolarHBondContact OE1-NZ 3.43Å; I171-K223 CarbonylContact C-O 3.56Å; I171-K223 VanDerWaalsContact CA-O 3.3Å; I171-K223 WeakPolarHBondContact CA-O 3.49Å; C172-K223 HydrophobicContact CB-CB 4.16Å; C172-K223 PolarHBondContact N-O 3.05Å; D220-K223 HydrophobicContact CB-CB 4.2Å; D220-K223 CarbonylContact O-C 3.48Å; D220-K223 PolarHBondContact O-N 2.78Å; D220-K223 PolarHBondContact OD1-N 2.75Å
224G92.3Very high93.2Very high7 Ų757.9 Ų57.97%0.07231%0.307CS..EExtended strand (participates in β ladder)trans-130.727.3-170.300000113.6K219 D220 I226K219-G224 WeakPolarHBondContact CD-O 3.28Å; D220-G224 VanDerWaalsContact O-CA 3.22Å; D220-G224 WeakPolarHBondContact O-CA 3.41Å; D220-G224 PolarHBondContact O-N 2.7Å; D220-G224 VanDerWaalsContact O-N 3.16Å; G224-I226 PolarHBondContact O-N 3.22Å
225H92.2Very high93.2Very high107 Ų10756.8 Ų56.850%0.49530%0.304SS..  trans-77.6110-178.5-62.9-71.8000108.9S167 W169S167-H225 WeakPolarHBondContact CB-O 3.44Å; S167-H225 PolarHBondContact OG-O 2.99Å; W169-H225 HydrophobicContact CB-CB 3.78Å; W169-H225 HydrophobicContact CD2-CB 4.42Å; W169-H225 HydrophobicContact CE3-CB 4.18Å; W169-H225 HydrophobicContact CG-CB 4.3Å
226I94.4Very high93.2Very high26 Ų2656.8 Ų56.813%0.13330%0.304CS..  trans-104.4134178.5-62.9173.7000107.3V131 V165 I171 L173 G224V131-I226 HydrophobicContact CB-CD1 4.23Å; V131-I226 HydrophobicContact CG1-CD1 3.52Å; V131-I226 HydrophobicContact CG2-CD1 3.63Å; V165-I226 HydrophobicContact CG1-CB 4.32Å; V165-I226 HydrophobicContact CG1-CD1 4.07Å; V165-I226 HydrophobicContact CG1-CG1 3.89Å; V165-I226 HydrophobicContact CG1-CG2 3.62Å; I171-I226 HydrophobicContact CD1-CG1 3.9Å; L173-I226 HydrophobicContact CD2-CD1 4.27Å; G224-I226 PolarHBondContact O-N 3.22Å
227Y92.7Very high93.3Very high22 Ų2257.3 Ų57.39%0.08631%0.309CS..  trans-63.5136175.7175-100.3000110.5L166 Q168 F198 E231L166-Y227 HydrophobicContact CB-CD1 4.48Å; L166-Y227 PolarHBondContact O-N 2.93Å; Q168-Y227 HydrophobicContact CG-CD2 4.15Å; F198-Y227 HydrophobicContact CD1-CD2 4.45Å; F198-Y227 HydrophobicContact CD1-CG 4.45Å; F198-Y227 AromaticContact CE1-CD1 3.9Å; F198-Y227 HydrophobicContact CE1-CD1 3.9Å; F198-Y227 AromaticContact CE1-CD2 3.62Å; F198-Y227 HydrophobicContact CE1-CD2 3.62Å; F198-Y227 AromaticContact CE1-CE1 3.7Å; F198-Y227 HydrophobicContact CE1-CE1 3.7Å; F198-Y227 AromaticContact CE1-CE2 3.41Å; F198-Y227 HydrophobicContact CE1-CE2 3.41Å; F198-Y227 VanDerWaalsContact CE1-CE2 3.41Å; F198-Y227 AromaticContact CE1-CG 3.85Å; F198-Y227 HydrophobicContact CE1-CG 3.85Å; F198-Y227 AromaticContact CE1-CZ 3.43Å; F198-Y227 VanDerWaalsContact CE1-CZ 3.43Å; F198-Y227 HydrophobicContact CZ-CD2 4.37Å; F198-Y227 HydrophobicContact CZ-CE1 4.33Å; F198-Y227 AromaticContact CZ-CE2 3.74Å; F198-Y227 HydrophobicContact CZ-CE2 3.74Å; F198-Y227 AromaticContact CZ-CZ 3.71Å; Y227-E231 PolarHBondContact OH-OE1 2.78Å; Y227-E231 PolarHBondContact OH-OE2 2.93Å
228Q88.8Confident93.3Very high98 Ų9857.4 Ų57.446%0.45831%0.309SS..  trans-131.3104.9176.8-173.1169.312.300108.2
229G87.4Confident93.4Very high31 Ų3160.7 Ų60.732%0.3232%0.323SS..SBendtrans-164.8-177.6-178.900000110.6
230S86.4Confident93.5Very high114 Ų11458.5 Ų58.580%0.79732%0.315SS*.SBendtrans-92.1-11.7-178.356.50000113.8
231E86.2Confident93.6Very high131 Ų13159.3 Ų59.361%0.61232%0.318SS*.SBendtrans-78.4-29.5-167.3-66.787.8125.900112.4Y227Y227-E231 PolarHBondContact OH-OE1 2.78Å; Y227-E231 PolarHBondContact OH-OE2 2.93Å
232A87.5Confident93.6Very high37 Ų3759.5 Ų59.531%0.30631%0.309SS..  trans-160.1142.7176.700000111.6L166L166-A232 HydrophobicContact CD1-CB 3.74Å; L166-A232 HydrophobicContact CD2-CB 3.62Å; L166-A232 HydrophobicContact CG-CB 4.32Å
233D93.6Very high93.8Very high72 Ų7253.9 Ų53.939%0.38529%0.291SS..  trans-98.1135-179-73.7-45.8000112I120 L166I120-D233 HydrophobicContact CB-CB 4.06Å; I120-D233 HydrophobicContact CD1-CB 4.32Å; I120-D233 WeakPolarHBondContact CD1-OD2 3.19Å; I120-D233 HydrophobicContact CG2-CB 4.02Å; L166-D233 WeakPolarHBondContact CD1-O 3.34Å
234S97.2Very high93.9Very high2 Ų252.7 Ų52.71%0.01429%0.292CS..  trans-82.6138.5165.8-62.80000109.9I120 R121 Q164 L166I120-S234 CarbonylContact C-O 3.56Å; I120-S234 WeakPolarHBondContact CA-O 3.28Å; R121-S234 PolarHBondContact N-O 2.82Å; Q164-S234 CarbonylContact O-C 3.51Å; Q164-S234 WeakPolarHBondContact O-CA 3.42Å; L166-S234 PolarHBondContact N-OG 2.86Å
235V98.2Very high93.5Very high28 Ų2860.6 Ų60.617%0.1736%0.357CS..EExtended strand (participates in β ladder)trans-127.9147.4-173.562.20000112.5A119 I120 F163 Q164A119-V235 CarbonylContact O-C 3.46Å; A119-V235 WeakPolarHBondContact O-CA 3.36Å; A119-V235 WeakPolarHBondContact O-CG2 3.46Å; I120-V235 HydrophobicContact CG2-CB 3.79Å; I120-V235 HydrophobicContact CG2-CG2 3.92Å; F163-V235 CarbonylContact C-O 3.51Å; F163-V235 WeakPolarHBondContact CA-O 3.2Å; F163-V235 WeakPolarHBondContact CB-O 3.37Å; Q164-V235 HydrophobicContact CB-CG1 3.9Å; Q164-V235 PolarHBondContact N-O 2.81Å; Q164-V235 PolarHBondContact O-N 2.94Å
236F98.7Very high93.6Very high0 Ų058.3 Ų58.30%035%0.35CS..EExtended strand (participates in β ladder)trans-131.5133.9168.9177.4-133.1000109.4F117 S118 A119 F133 Y144 F161 T162 F163 V217F117-F236 AromaticContact CE2-CD1 3.55Å; F117-F236 HydrophobicContact CE2-CD1 3.55Å; F117-F236 AromaticContact CE2-CE1 3.83Å; F117-F236 HydrophobicContact CE2-CE1 3.83Å; F117-F236 HydrophobicContact CE2-CG 4.13Å; F117-F236 AromaticContact CZ-CD1 3.68Å; F117-F236 HydrophobicContact CZ-CD1 3.68Å; F117-F236 AromaticContact CZ-CE1 3.46Å; F117-F236 HydrophobicContact CZ-CE1 3.46Å; F117-F236 VanDerWaalsContact CZ-CE1 3.46Å; F117-F236 HydrophobicContact CZ-CE2 4.5Å; F117-F236 HydrophobicContact CZ-CG 4.3Å; F117-F236 AromaticContact CZ-CZ 3.9Å; F117-F236 HydrophobicContact CZ-CZ 3.9Å; S118-F236 WeakPolarHBondContact CA-O 3.3Å; A119-F236 PolarHBondContact N-O 2.71Å; A119-F236 PolarHBondContact O-N 3.29Å; F133-F236 HydrophobicContact CD1-CB 3.76Å; F133-F236 HydrophobicContact CD2-CB 3.49Å; F133-F236 VanDerWaalsContact CD2-CB 3.49Å; F133-F236 HydrophobicContact CD2-CD1 4.15Å; F133-F236 HydrophobicContact CD2-CG 4.2Å; F133-F236 HydrophobicContact CE1-CB 3.7Å; F133-F236 HydrophobicContact CE2-CB 3.42Å; F133-F236 VanDerWaalsContact CE2-CB 3.42Å; F133-F236 HydrophobicContact CE2-CD1 4.31Å; F133-F236 HydrophobicContact CE2-CG 4.05Å; F133-F236 HydrophobicContact CG-CB 3.69Å; F133-F236 HydrophobicContact CZ-CB 3.54Å; F133-F236 HydrophobicContact CZ-CG 4.49Å; Y144-F236 AromaticContact CE2-CD1 3.89Å; Y144-F236 HydrophobicContact CE2-CD1 3.89Å; Y144-F236 HydrophobicContact CE2-CE1 4.08Å; F161-F236 HydrophobicContact CB-CE2 4.06Å; F161-F236 HydrophobicContact CB-CZ 4.42Å; F161-F236 HydrophobicContact CD1-CE2 4.21Å; F161-F236 AromaticContact CD1-CZ 3.83Å; F161-F236 HydrophobicContact CD1-CZ 3.83Å; F161-F236 HydrophobicContact CG-CZ 4.48Å; T162-F236 VanDerWaalsContact O-CD2 3.26Å; T162-F236 WeakPolarHBondContact O-CD2 3.42Å; F163-F236 HydrophobicContact CB-CB 4.43Å; F163-F236 HydrophobicContact CB-CD2 4.01Å; V217-F236 HydrophobicContact CG2-CD1 4.34Å; V217-F236 HydrophobicContact CG2-CD2 3.74Å; V217-F236 HydrophobicContact CG2-CE1 4.36Å; V217-F236 HydrophobicContact CG2-CE2 3.77Å; V217-F236 HydrophobicContact CG2-CG 4.05Å; V217-F236 HydrophobicContact CG2-CZ 4.1Å
237S98.8Very high93.5Very high20 Ų2060 Ų6014%0.1436%0.362CS..EExtended strand (participates in β ladder)trans-136.6155.3-177.6-58.60000111.2F117 S118 F161 T162F117-S237 CarbonylContact O-C 3.48Å; F117-S237 WeakPolarHBondContact O-CA 3.41Å; F117-S237 WeakPolarHBondContact O-CB 3.43Å; S118-S237 VanDerWaalsContact CB-OG 3.31Å; S118-S237 WeakPolarHBondContact CB-OG 3Å; S118-S237 WeakPolarHBondContact OG-CB 3.3Å; S118-S237 PolarHBondContact OG-OG 2.9Å; F161-S237 WeakPolarHBondContact CA-O 3.23Å; T162-S237 PolarHBondContact N-O 2.9Å; T162-S237 PolarHBondContact O-N 2.04Å
238G98.8Very high93.6Very high1 Ų162.1 Ų62.11%0.0138%0.377CS..EExtended strand (participates in β ladder)trans-163154.2168.100000113.2A116 F117 Y160A116-G238 CarbonylContact C-O 3.5Å; A116-G238 VanDerWaalsContact CA-O 3.3Å; A116-G238 WeakPolarHBondContact CA-O 3.03Å; F117-G238 WeakPolarHBondContact CD1-O 3.02Å; F117-G238 VanDerWaalsContact CE1-N 3.3Å; F117-G238 PolarHBondContact N-O 3.16Å; F117-G238 PolarHBondContact O-N 3.48Å; Y160-G238 CarbonylContact O-C 3.56Å; Y160-G238 WeakPolarHBondContact O-CA 3.3Å
239F98.5Very high93.8Very high96 Ų9660 Ų6042%0.42137%0.372SS..EExtended strand (participates in β ladder)trans-151.9153.9-178.662.5-92.6000112.2P115 A116 Y159 Y160 I241P115-F239 WeakPolarHBondContact O-CA 3.37Å; A116-F239 HydrophobicContact CB-CB 3.73Å; Y159-F239 WeakPolarHBondContact CA-O 3.22Å; Y159-F239 VanDerWaalsContact CD1-C 3.5Å; Y159-F239 WeakPolarHBondContact CD1-O 3.16Å; Y160-F239 HydrophobicContact CD1-CD1 4.42Å; Y160-F239 AromaticContact CD1-CE1 3.55Å; Y160-F239 HydrophobicContact CD1-CE1 3.55Å; Y160-F239 AromaticContact CD1-CZ 3.86Å; Y160-F239 HydrophobicContact CD1-CZ 3.86Å; Y160-F239 HydrophobicContact CE1-CE1 4.48Å; Y160-F239 HydrophobicContact CG-CE1 4.29Å; Y160-F239 HydrophobicContact CG-CZ 4.27Å; Y160-F239 PolarHBondContact N-O 3.22Å; Y160-F239 PolarHBondContact O-N 3.46Å; F239-I241 HydrophobicContact CE2-CG1 4.17Å
240L98.3Very high94.2Very high21 Ų2161.8 Ų61.811%0.1138%0.375CS..EExtended strand (participates in β ladder)trans-70.4125.9171.7-178.668.8000110.4P113 P115 V155 Y159 F242 P243P113-L240 HydrophobicContact CB-CD2 4.26Å; P113-L240 HydrophobicContact CG-CD2 4.16Å; P115-L240 HydrophobicContact CG-CB 3.84Å; P115-L240 HydrophobicContact CG-CD2 4.2Å; P115-L240 PolarHBondContact O-N 3.39Å; V155-L240 HydrophobicContact CG1-CD2 4.2Å; Y159-L240 HydrophobicContact CD1-CB 4.15Å; Y159-L240 HydrophobicContact CD1-CD1 4.49Å; Y159-L240 HydrophobicContact CD2-CD1 4.04Å; Y159-L240 HydrophobicContact CE1-CB 3.67Å; Y159-L240 HydrophobicContact CE1-CD1 4.05Å; Y159-L240 HydrophobicContact CE1-CG 4.47Å; Y159-L240 HydrophobicContact CE2-CD1 3.56Å; Y159-L240 HydrophobicContact CG-CD1 4.49Å; L240-F242 WeakPolarHBondContact CD1-O 3.22Å; L240-P243 HydrophobicContact CD2-CB 4.41Å
241I97.4Very high94.8Very high80 Ų8058.3 Ų58.341%0.4135%0.347SS..EExtended strand (participates in β ladder)trans-83.8-51.7173-47.5176.3000109.3Y158 V206 F239Y158-I241 WeakPolarHBondContact O-CB 3.3Å; Y158-I241 WeakPolarHBondContact O-CG1 3.18Å; Y158-I241 PolarHBondContact O-N 3.44Å; V206-I241 HydrophobicContact CG1-CD1 3.96Å; V206-I241 HydrophobicContact CG2-CD1 4.02Å; F239-I241 HydrophobicContact CE2-CG1 4.17Å
242F94.8Very high95.4Very high102 Ų10253.1 Ų53.145%0.44733%0.328SS..EExtended strand (participates in β ladder)trans-156142.6172.249.8-89.2000110.8G157 Y158 L240G157-F242 WeakPolarHBondContact CA-O 3.41Å; Y158-F242 HydrophobicContact CD1-CE2 4.49Å; Y158-F242 HydrophobicContact CD1-CZ 4.2Å; Y158-F242 AromaticContact CD2-CD2 3.63Å; Y158-F242 HydrophobicContact CD2-CD2 3.63Å; Y158-F242 HydrophobicContact CD2-CE1 4.49Å; Y158-F242 AromaticContact CD2-CE2 2.98Å; Y158-F242 HydrophobicContact CD2-CE2 2.98Å; Y158-F242 AromaticContact CD2-CZ 3.49Å; Y158-F242 HydrophobicContact CD2-CZ 3.49Å; Y158-F242 VanDerWaalsContact CD2-CZ 3.49Å; Y158-F242 HydrophobicContact CE2-CD2 4.3Å; Y158-F242 AromaticContact CE2-CE2 3.43Å; Y158-F242 HydrophobicContact CE2-CE2 3.43Å; Y158-F242 VanDerWaalsContact CE2-CE2 3.43Å; Y158-F242 HydrophobicContact CE2-CZ 4.03Å; Y158-F242 HydrophobicContact CG-CD2 4.31Å; Y158-F242 HydrophobicContact CG-CE1 4.32Å; Y158-F242 AromaticContact CG-CE2 3.59Å; Y158-F242 HydrophobicContact CG-CE2 3.59Å; Y158-F242 AromaticContact CG-CZ 3.56Å; Y158-F242 HydrophobicContact CG-CZ 3.56Å; Y158-F242 PolarHBondContact N-O 2.75Å; L240-F242 WeakPolarHBondContact CD1-O 3.22Å
243P95.8Very high96Very high64 Ų6454.4 Ų54.442%0.41633%0.33SS..EExtended strand (participates in β ladder)trans-65.3152.4174.628.5-33.8000110.8P113 V155 P156 L240P113-P243 HydrophobicContact CG-CB 4.39Å; P113-P243 HydrophobicContact CG-CG 4.48Å; V155-P243 HydrophobicContact CG1-CB 4.27Å; P156-P243 WeakPolarHBondContact O-CA 3.41Å; L240-P243 HydrophobicContact CD2-CB 4.41Å
244S93.7Very high96.2Very high47 Ų4752.9 Ų52.933%0.32933%0.325SS..  trans-65.2145.4167.6-64.60000109.3P156 G157P156-S244 PolarHBondContact O-N 2.83Å; G157-S244 VanDerWaalsContact CA-OG 3.31Å; G157-S244 WeakPolarHBondContact CA-OG 3.37Å; G157-S244 PolarHBondContact N-OG 2.78Å
245A83.9Confident96.1Very high174 Ų17457.5 Ų57.5100%1.43835%0.354SS*.  trans-69.80178.500000112.8

Retrieved 245 of 245 residues in 986.9 ms (Link to these results)