A0A087Y1Z3_POEFO Loading...

Fc receptor-like protein 4

AlphaFold DB , UniProt , Accession A0A087Y1Z3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 384 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
1M36.3Very low43.8Very low240 Ų240144.1 Ų144.1100%1.18281%0.812SS**  0123.50-65.4-177-79.100106.9
2E38.6Very low44.4Very low168 Ų168145.7 Ų145.779%0.78582%0.816SS**  cis-157.4140.6-18.2-80.3-157.1146.700103.4V4E2-V4 HydrophobicContact CB-CG2 4.26Å
3A39Very low45Very low99 Ų99145.6 Ų145.682%0.81881%0.811SS**  trans-110.798.116500000106.8T5A3-T5 PolarHBondContact O-N 3.3Å
4V45.2Very low45.5Very low118 Ų118143.6 Ų143.672%0.71581%0.808SS**  trans-83.4105.1178.1-176.40000108.2E2E2-V4 HydrophobicContact CB-CG2 4.26Å
5T46Very low46.3Very low116 Ų116146 Ų14671%0.71281%0.81SS**  trans-82.7110170.640.90000109.6A3A3-T5 PolarHBondContact O-N 3.3Å
6S44Very low46.4Very low108 Ų108147.2 Ų147.276%0.75581%0.813SS**  trans-86.8108.7176.1-177.20000110.1
7F44.1Very low46.7Very low190 Ų190147.2 Ų147.283%0.83381%0.81SS**  trans-85.8112.5170.1-87.6-86.5000110.2
8L47.9Very low46.8Very low160 Ų160146.1 Ų146.184%0.83881%0.808SS**  trans-83110.4168-93.1158.9000109.1
9V50.5Low47.1Very low130 Ų130143.4 Ų143.479%0.78880%0.8SS**  trans-87.2105.5170.5-1790000108S11V9-S11 PolarHBondContact O-N 3.36Å
10L43.2Very low47.5Very low160 Ų160145.4 Ų145.484%0.83880%0.803SS**  trans-7697.7169.3-95138.7000108.8L12L10-L12 PolarHBondContact O-N 3.21Å
11S47.4Very low47.9Very low96 Ų96141.2 Ų141.267%0.67178%0.782SS**  trans-74.8103.6169.4570000109.9V9 L13V9-S11 PolarHBondContact O-N 3.36Å; S11-L13 PolarHBondContact O-N 3.4Å
12L50.4Low49.1Very low163 Ų163134.4 Ų134.485%0.85376%0.755SS**  trans-77.995.5167.8-75160.7000108.4L10 P14L10-L12 PolarHBondContact O-N 3.21Å; L12-P14 WeakPolarHBondContact O-CD 3.34Å
13L52.5Low50.2Low145 Ų145130.9 Ų130.976%0.75975%0.745SS**  trans-68122.7164-86.8133.5000108.4S11 Q15S11-L13 PolarHBondContact O-N 3.4Å; L13-Q15 PolarHBondContact O-N 3.41Å
14P52.2Low51.6Low117 Ų117129 Ų12976%0.7673%0.726SS**  trans-66.5112.2172.425-27.4000107.9L12 L16L12-P14 WeakPolarHBondContact O-CD 3.34Å; P14-L16 PolarHBondContact O-N 3.13Å
15Q56.5Low53.2Low180 Ų180125 Ų12584%0.84170%0.702SS**  trans-64.6108168.3-70.3-176.4-11.600107.3L13 I17L13-Q15 PolarHBondContact O-N 3.41Å; Q15-I17 VanDerWaalsContact C-N 3.34Å; Q15-I17 PolarHBondContact O-N 3.27Å
16L49.3Very low55.1Low165 Ų165124.5 Ų124.586%0.86470%0.703SS**  trans-61.699.2166-84.4158.6000107.5P14 V18P14-L16 PolarHBondContact O-N 3.13Å; L16-V18 VanDerWaalsContact C-N 3.35Å; L16-V18 PolarHBondContact O-N 2.68Å
17I51.3Low57.3Low147 Ų147121.8 Ų121.875%0.75468%0.677SS**  trans-67.7100164.2-59.1173.2000105.4Q15 S19Q15-I17 VanDerWaalsContact C-N 3.34Å; Q15-I17 PolarHBondContact O-N 3.27Å; I17-S19 PolarHBondContact O-N 2.9Å
18V48.2Very low59.6Low127 Ų127118.5 Ų118.577%0.7766%0.659SS**  trans-65.6101.9165.3176.90000105.7L16 E20L16-V18 VanDerWaalsContact C-N 3.35Å; L16-V18 PolarHBondContact O-N 2.68Å; V18-E20 PolarHBondContact O-N 2.88Å
19S51.5Low61.9Low96 Ų96110.9 Ų110.967%0.67162%0.619SS**  trans-59.3110.1166.5-90.40000107.4I17 V21I17-S19 PolarHBondContact O-N 2.9Å; S19-V21 PolarHBondContact O-N 3.28Å
20E55.7Low64.1Low182 Ų182108.4 Ų108.485%0.8560%0.604SS**  trans-64.3102.2172.2-164.4170.6-167.300107.6V18V18-E20 PolarHBondContact O-N 2.88Å
21V57.1Low66.7Low59 Ų59101.6 Ų101.636%0.35857%0.569SS.*  trans-67.6124.7-176.7-178.80000107.7S19 T23 V101S19-V21 PolarHBondContact O-N 3.28Å; V21-T23 PolarHBondContact O-N 3.2Å; V21-T23 PolarHBondContact O-OG1 3.3Å; V21-V101 HydrophobicContact CB-CG1 4.28Å; V21-V101 HydrophobicContact CG1-CB 3.94Å; V21-V101 HydrophobicContact CG1-CG1 3.75Å; V21-V101 HydrophobicContact CG2-CG1 3.53Å
22P61.3Low68.9Low96 Ų96101.6 Ų101.662%0.62356%0.559SS**  trans-62.3106.8-176.522.8-31.5000109.9S24P22-S24 PolarHBondContact O-N 3.39Å
23T61.7Low71Confident94 Ų9496 Ų9658%0.57753%0.529SS*.  trans-77.9-5-179-29.30000111.6V21 S103 K105V21-T23 PolarHBondContact O-N 3.2Å; V21-T23 PolarHBondContact O-OG1 3.3Å; T23-S103 WeakPolarHBondContact CG2-O 3.38Å; T23-K105 PolarHBondContact O-N 3.02Å
24S68.4Low73Confident60 Ų6092.5 Ų92.542%0.4251%0.514SS..EExtended strand (participates in β ladder)trans-144.1144.6-177.2-167.50000114.6P22 K105P22-S24 PolarHBondContact O-N 3.39Å; S24-K105 CarbonylContact C-O 3.45Å; S24-K105 WeakPolarHBondContact CA-O 3.23Å; S24-K105 WeakPolarHBondContact CB-O 3.31Å; S24-K105 PolarHBondContact OG-O 3.24Å
25T78.1Confident75.1Confident34 Ų3489.3 Ų89.321%0.20949%0.494CS..EExtended strand (participates in β ladder)trans-90.7162.9170.765.40000112Y27 W60 I104 K105 T106T25-Y27 HydrophobicContact CG2-CD2 4.28Å; T25-Y27 PolarHBondContact O-N 2.93Å; T25-Y27 PolarHBondContact OG1-N 3.2Å; T25-W60 HydrophobicContact CG2-CH2 3.94Å; T25-I104 HydrophobicContact CG2-CG2 3.43Å; T25-I104 VanDerWaalsContact CG2-CG2 3.43Å; T25-K105 PolarHBondContact N-O 2.77Å; T25-T106 WeakPolarHBondContact OG1-CA 3.37Å
26S85.3Confident76.8Confident106 Ų10682.9 Ų82.974%0.74148%0.476SS*.EExtended strand (participates in β ladder)trans-73.1-11.6171.356.70000113.8R28S26-R28 PolarHBondContact O-N 2.84Å
27Y90.1Very high78.9Confident51 Ų5177.5 Ų77.520%0.245%0.448CS..EExtended strand (participates in β ladder)trans-67133179.7-53.5-42.4000110.6T25 D54 P55 W60 T106 L107T25-Y27 HydrophobicContact CG2-CD2 4.28Å; T25-Y27 PolarHBondContact O-N 2.93Å; T25-Y27 PolarHBondContact OG1-N 3.2Å; Y27-D54 HydrophobicContact CD2-CB 4.11Å; Y27-D54 HydrophobicContact CE2-CB 3.92Å; Y27-D54 WeakPolarHBondContact CE2-OD1 3.22Å; Y27-D54 PolarHBondContact OH-OD1 2.77Å; Y27-P55 HydrophobicContact CE1-CG 4.46Å; Y27-P55 WeakPolarHBondContact OH-CD 3.27Å; Y27-W60 HydrophobicContact CD2-CZ2 4.19Å; Y27-W60 HydrophobicContact CE2-CZ2 4.44Å; Y27-T106 WeakPolarHBondContact O-CB 3.3Å; Y27-L107 PolarHBondContact O-N 3.38Å
28R93.8Very high80.8Confident120 Ų12071.5 Ų71.545%0.45342%0.419SS..EExtended strand (participates in β ladder)trans-105.8122171.9-178.1178.9-65-80.94.7109.5S26 P53 L107 R108S26-R28 PolarHBondContact O-N 2.84Å; R28-P53 WeakPolarHBondContact O-CD 3.33Å; R28-P53 WeakPolarHBondContact O-CG 3.25Å; R28-L107 HydrophobicContact CB-CB 4.15Å; R28-L107 HydrophobicContact CG-CB 4.33Å; R28-R108 PolarHBondContact NH1-O 3.16Å
29A96.1Very high83.1Confident1 Ų166.3 Ų66.31%0.00839%0.386CS..  trans-64.5156.4174.900000111.5I51 I52 L107 S109A29-I51 CarbonylContact C-O 3.51Å; A29-I51 VanDerWaalsContact CA-O 3.3Å; A29-I51 WeakPolarHBondContact CA-O 3.46Å; A29-I52 HydrophobicContact CB-CG1 4.38Å; A29-L107 PolarHBondContact N-O 2.89Å; A29-L107 VanDerWaalsContact N-O 3.09Å; A29-S109 WeakPolarHBondContact O-CA 3.44Å; A29-S109 WeakPolarHBondContact O-CB 3.38Å
30V96Very high85.2Confident77 Ų7761.9 Ų61.947%0.46736%0.355SS..EExtended strand (participates in β ladder)trans-130136.8179.8-178.30000108.7C50 I51V30-C50 CarbonylContact O-C 3.58Å; V30-C50 WeakPolarHBondContact O-CA 3.32Å; V30-I51 HydrophobicContact CB-CB 4.42Å; V30-I51 PolarHBondContact N-O 3.02Å; V30-I51 PolarHBondContact O-N 3.28Å
31V96.9Very high87.1Confident17 Ų1753.5 Ų53.510%0.10332%0.316CS..EExtended strand (participates in β ladder)trans-99.1129.9174.5173.50000109L48 R49 W64 C93 S109 Y112V31-L48 HydrophobicContact CG1-CB 4.12Å; V31-L48 HydrophobicContact CG1-CD1 4.13Å; V31-L48 HydrophobicContact CG1-CD2 4.25Å; V31-L48 HydrophobicContact CG1-CG 4.4Å; V31-R49 WeakPolarHBondContact CA-O 3.16Å; V31-W64 HydrophobicContact CG1-CH2 4.22Å; V31-W64 HydrophobicContact CG1-CZ3 4.09Å; V31-W64 HydrophobicContact CG2-CH2 4.09Å; V31-W64 HydrophobicContact CG2-CZ3 3.74Å; V31-C93 HydrophobicContact CG2-CB 4.07Å; V31-S109 WeakPolarHBondContact CG2-OG 3.42Å; V31-Y112 HydrophobicContact CG1-CD1 4.45Å; V31-Y112 HydrophobicContact CG1-CG 4.04Å
32E94.8Very high89.1Confident96 Ų9652.7 Ų52.745%0.44931%0.313SS..EExtended strand (participates in β ladder)trans-121.9145.3174.4-174.5178-15700110L48 R49 I51E32-L48 CarbonylContact O-C 3.59Å; E32-L48 VanDerWaalsContact O-CA 3.27Å; E32-L48 WeakPolarHBondContact O-CA 3.42Å; E32-R49 PolarHBondContact N-O 3.3Å; E32-R49 PolarHBondContact O-N 2.98Å; E32-I51 HydrophobicContact CB-CD1 4.2Å; E32-I51 WeakPolarHBondContact OE2-CD1 3.03Å
33I94.3Very high90.7Very high45 Ų4550 Ų5023%0.23130%0.302CS..EExtended strand (participates in β ladder)trans-84.9123.3170.6-168.5163.9000109.7G36 L48 Y112I33-G36 WeakPolarHBondContact CD1-O 3.49Å; I33-L48 HydrophobicContact CB-CD2 4.12Å; I33-L48 HydrophobicContact CG1-CD2 4.17Å; I33-Y112 HydrophobicContact CB-CE1 4.28Å
34V95.4Very high92.4Very high72 Ų7248.1 Ų48.144%0.43629%0.287SS..EExtended strand (participates in β ladder)trans-91.7-39.1179.6-178.60000110.8S47 R49 I77V34-S47 PolarHBondContact N-O 2.81Å; V34-R49 HydrophobicContact CG2-CB 3.43Å; V34-R49 VanDerWaalsContact CG2-CB 3.43Å; V34-I77 HydrophobicContact CG2-CD1 4.16Å
35S95Very high93.8Very high51 Ų5152.8 Ų52.836%0.35730%0.295SS..EExtended strand (participates in β ladder)trans-151.8150.3178.967.20000111.2L46 S47S35-L46 WeakPolarHBondContact O-CA 3.11Å; S35-L46 WeakPolarHBondContact O-CB 3.31Å; S35-S47 PolarHBondContact N-O 3.02Å; S35-S47 PolarHBondContact O-N 3.29Å; S35-S47 WeakPolarHBondContact OG-CB 3.27Å; S35-S47 PolarHBondContact OG-OG 3.33Å
36G92.6Very high94.7Very high45 Ų4551.2 Ų51.246%0.46429%0.286SS..SBendtrans86-161.8-173.100000112.2I33I33-G36 WeakPolarHBondContact CD1-O 3.49Å
37D92.8Very high95.2Very high51 Ų5146.8 Ų46.827%0.27326%0.255SS..  trans-129.2165.4-178.4-76.6-71.8000111.2R39 I40 Q124D37-R39 PolarHBondContact O-N 2.81Å; D37-I40 HydrophobicContact CB-CG2 4.26Å; D37-I40 WeakPolarHBondContact O-CG2 3.42Å; D37-Q124 VanDerWaalsContact CB-NE2 3.3Å; D37-Q124 PolarHBondContact OD2-NE2 3.5Å; D37-Q124 PolarHBondContact OD2-OE1 2.74Å
38S92.4Very high95.6Very high21 Ų2144.3 Ų44.315%0.14725%0.245CC..SBendtrans-63.7-25.417258.90000113.9I114 H115S38-I114 WeakPolarHBondContact O-CA 3.45Å; S38-H115 PolarHBondContact O-N 2.93Å
39R94.9Very high95.8Very high19 Ų1943.1 Ų43.17%0.07224%0.24CC..EExtended strand (participates in β ladder)trans-126.1112.8180-162.4163.3-137.4-142.8-10.9108.1D37 H115 I122 L123 Q124 V201 T203D37-R39 PolarHBondContact O-N 2.81Å; R39-H115 WeakPolarHBondContact CA-O 3.36Å; R39-H115 HydrophobicContact CG-CB 4.15Å; R39-H115 PolarHBondContact NE-CD2 3.43Å; R39-H115 PolarHBondContact NH2-CD2 2.87Å; R39-H115 VanDerWaalsContact NH2-CD2 3.32Å; R39-H115 PolarHBondContact NH2-NE2 3.12Å; R39-I122 HydrophobicContact CG-CB 4.37Å; R39-I122 HydrophobicContact CG-CG2 4.47Å; R39-I122 WeakPolarHBondContact O-CD1 3.38Å; R39-L123 WeakPolarHBondContact CD-O 3.4Å; R39-Q124 PolarHBondContact O-NE2 2.81Å; R39-V201 PolarHBondContact NH1-O 2.78Å; R39-T203 PolarHBondContact NH1-OG1 2.89Å
40I95.9Very high95.9Very high3 Ų343 Ų432%0.01524%0.24CC..EExtended strand (participates in β ladder)trans-129162.2-174.857.6161.1000110.2D37 E44 L46 L80 A83 H115 V116 D117D37-I40 HydrophobicContact CB-CG2 4.26Å; D37-I40 WeakPolarHBondContact O-CG2 3.42Å; I40-E44 HydrophobicContact CB-CB 4.21Å; I40-E44 HydrophobicContact CD1-CB 4.21Å; I40-L46 HydrophobicContact CD1-CD2 3.78Å; I40-L46 HydrophobicContact CD1-CG 4.28Å; I40-L46 HydrophobicContact CG1-CD2 4.25Å; I40-L46 HydrophobicContact CG2-CD2 4.45Å; I40-L80 HydrophobicContact CD1-CD2 4.44Å; I40-A83 HydrophobicContact CD1-CB 3.58Å; I40-H115 PolarHBondContact N-O 2.82Å; I40-V116 HydrophobicContact CD1-CG2 4.23Å; I40-V116 HydrophobicContact CG1-CG2 4.14Å; I40-V116 CarbonylContact O-C 3.5Å; I40-V116 WeakPolarHBondContact O-CA 3.34Å; I40-D117 PolarHBondContact O-N 3.22Å
41F97.3Very high95.8Very high6 Ų642.5 Ų42.53%0.02623%0.234CC..EExtended strand (participates in β ladder)trans-79154169.7-72.8-58.8000111.5G43 E44 D117 G119 I122 R141 R143F41-G43 PolarHBondContact O-N 2.82Å; F41-E44 HydrophobicContact CB-CG 3.92Å; F41-E44 PolarHBondContact N-OE2 3.38Å; F41-E44 WeakPolarHBondContact O-CB 3.47Å; F41-E44 WeakPolarHBondContact O-CG 3.29Å; F41-E44 PolarHBondContact O-N 3.33Å; F41-E44 VanDerWaalsContact O-N 3.16Å; F41-D117 CarbonylContact C-O 3.55Å; F41-D117 WeakPolarHBondContact CA-O 3.43Å; F41-G119 WeakPolarHBondContact CE1-O 3.48Å; F41-I122 HydrophobicContact CD1-CD1 4.4Å; F41-I122 HydrophobicContact CD1-CG2 3.94Å; F41-I122 HydrophobicContact CD2-CD1 4.02Å; F41-I122 HydrophobicContact CE1-CB 4.31Å; F41-I122 HydrophobicContact CE1-CD1 4.35Å; F41-I122 HydrophobicContact CE1-CG1 4.15Å; F41-I122 HydrophobicContact CE1-CG2 3.57Å; F41-I122 HydrophobicContact CE2-CD1 3.96Å; F41-I122 HydrophobicContact CE2-CG1 4Å; F41-I122 HydrophobicContact CG-CD1 4.25Å; F41-I122 HydrophobicContact CZ-CB 4.34Å; F41-I122 HydrophobicContact CZ-CD1 4.13Å; F41-I122 HydrophobicContact CZ-CG1 3.78Å; F41-I122 HydrophobicContact CZ-CG2 4.09Å; F41-R141 HydrophobicContact CE2-CB 4.28Å; F41-R141 WeakPolarHBondContact CZ-O 3.3Å; F41-R143 HydrophobicContact CD2-CB 4.45Å; F41-R143 HydrophobicContact CE1-CB 4.25Å; F41-R143 HydrophobicContact CE2-CB 4.02Å; F41-R143 HydrophobicContact CZ-CB 3.92Å
42S97.3Very high95.7Very high42 Ų4242.7 Ų42.729%0.29423%0.234SC..THydrogen-bonded Turntrans-57137.8165.465.10000110.5E44 A83 D117 R143S42-E44 VanDerWaalsContact C-N 3.33Å; S42-A83 CarbonylContact C-O 3.51Å; S42-A83 WeakPolarHBondContact CA-O 3.31Å; S42-D117 PolarHBondContact N-O 2.81Å; S42-R143 PolarHBondContact O-NH2 3.45Å; S42-R143 PolarHBondContact OG-NH2 2.66Å
43G96.6Very high95.6Very high40 Ų4041.5 Ų41.541%0.41224%0.235SC..THydrogen-bonded Turntrans89.8-12.2-174.900000114.6F41 N82 A83F41-G43 PolarHBondContact O-N 2.82Å; G43-N82 WeakPolarHBondContact CA-OD1 3.29Å; G43-A83 PolarHBondContact N-O 2.82Å
44E97.1Very high95.2Very high54 Ų5440.1 Ų40.125%0.25223%0.228SC..  trans-78.8173.2176.2-61.9-161.7108.700112.6I40 F41 S42 N82 A83 R141I40-E44 HydrophobicContact CB-CB 4.21Å; I40-E44 HydrophobicContact CD1-CB 4.21Å; F41-E44 HydrophobicContact CB-CG 3.92Å; F41-E44 PolarHBondContact N-OE2 3.38Å; F41-E44 WeakPolarHBondContact O-CB 3.47Å; F41-E44 WeakPolarHBondContact O-CG 3.29Å; F41-E44 PolarHBondContact O-N 3.33Å; F41-E44 VanDerWaalsContact O-N 3.16Å; S42-E44 VanDerWaalsContact C-N 3.33Å; E44-N82 PolarHBondContact O-N 3.05Å; E44-A83 VanDerWaalsContact O-CB 3.31Å; E44-A83 WeakPolarHBondContact O-CB 3.38Å; E44-A83 PolarHBondContact O-N 2.84Å; E44-R141 VanDerWaalsContact CD-NH2 3.26Å; E44-R141 IonicContact OE1-CZ 3.76Å; E44-R141 IonicContact OE1-NH1 2.73Å; E44-R141 IonicContact OE1-NH2 3.81Å; E44-R141 PolarHBondContact OE1-NH2 2.85Å; E44-R141 IonicContact OE2-CZ 3.81Å; E44-R141 IonicContact OE2-NH2 2.68Å; E44-R141 PolarHBondContact OE2-NH2 3.49Å
45R96.9Very high94.7Very high157 Ų15741 Ų4159%0.59224%0.235SC*.  trans-121.3148.7175.966.7-179.8-177.9179.1-0.8111.3L80 W81R45-L80 WeakPolarHBondContact CA-O 3.37Å; R45-L80 WeakPolarHBondContact CB-O 3.43Å; R45-W81 HydrophobicContact CB-CE3 4.26Å
46L96.6Very high94.2Very high1 Ų147.8 Ų47.81%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-142.5157.916765.478.3000110.2S35 I40 L48 L80 I114S35-L46 WeakPolarHBondContact O-CA 3.11Å; S35-L46 WeakPolarHBondContact O-CB 3.31Å; I40-L46 HydrophobicContact CD1-CD2 3.78Å; I40-L46 HydrophobicContact CD1-CG 4.28Å; I40-L46 HydrophobicContact CG1-CD2 4.25Å; I40-L46 HydrophobicContact CG2-CD2 4.45Å; L46-L48 HydrophobicContact CD1-CD1 4.36Å; L46-L48 HydrophobicContact CD1-CD2 4.1Å; L46-L48 HydrophobicContact CD1-CG 3.82Å; L46-L80 HydrophobicContact CD1-CB 4.02Å; L46-L80 HydrophobicContact CG-CB 4.02Å; L46-L80 HydrophobicContact CG-CD2 4.42Å; L46-L80 PolarHBondContact N-O 2.85Å; L46-L80 VanDerWaalsContact N-O 3.12Å; L46-L80 PolarHBondContact O-N 3.47Å; L46-I114 HydrophobicContact CD2-CD1 3.88Å; L46-I114 HydrophobicContact CD2-CG1 4.25Å; L46-I114 HydrophobicContact CD2-CG2 3.68Å
47S97.4Very high93.6Very high13 Ų1354 Ų549%0.09127%0.271CS..EExtended strand (participates in β ladder)trans-126.4131.8176.3-60.80000110.3V34 S35 F78V34-S47 PolarHBondContact N-O 2.81Å; S35-S47 PolarHBondContact N-O 3.02Å; S35-S47 PolarHBondContact O-N 3.29Å; S35-S47 WeakPolarHBondContact OG-CB 3.27Å; S35-S47 PolarHBondContact OG-OG 3.33Å; S47-F78 CarbonylContact C-O 3.48Å; S47-F78 WeakPolarHBondContact CA-O 3.47Å
48L97.8Very high93.1Very high0 Ų052.9 Ų52.90%027%0.269CS..EExtended strand (participates in β ladder)trans-111.7142.8174.2-57.6177.8000109.4V31 E32 I33 L46 W64 I77 F78 Y91 Y112 I114V31-L48 HydrophobicContact CG1-CB 4.12Å; V31-L48 HydrophobicContact CG1-CD1 4.13Å; V31-L48 HydrophobicContact CG1-CD2 4.25Å; V31-L48 HydrophobicContact CG1-CG 4.4Å; E32-L48 CarbonylContact O-C 3.59Å; E32-L48 VanDerWaalsContact O-CA 3.27Å; E32-L48 WeakPolarHBondContact O-CA 3.42Å; I33-L48 HydrophobicContact CB-CD2 4.12Å; I33-L48 HydrophobicContact CG1-CD2 4.17Å; L46-L48 HydrophobicContact CD1-CD1 4.36Å; L46-L48 HydrophobicContact CD1-CD2 4.1Å; L46-L48 HydrophobicContact CD1-CG 3.82Å; L48-W64 HydrophobicContact CB-CH2 3.6Å; L48-W64 HydrophobicContact CB-CZ2 4.43Å; L48-W64 HydrophobicContact CB-CZ3 3.96Å; L48-W64 HydrophobicContact CD1-CZ3 4.16Å; L48-I77 CarbonylContact O-C 3.59Å; L48-I77 VanDerWaalsContact O-CA 3.28Å; L48-I77 WeakPolarHBondContact O-CA 3.21Å; L48-F78 HydrophobicContact CB-CB 4.45Å; L48-F78 HydrophobicContact CD1-CD1 4.27Å; L48-F78 PolarHBondContact N-O 2.9Å; L48-F78 PolarHBondContact O-N 2.93Å; L48-Y91 HydrophobicContact CD1-CD1 4.35Å; L48-Y91 HydrophobicContact CD1-CG 4.14Å; L48-Y112 HydrophobicContact CD2-CD1 4.02Å; L48-Y112 HydrophobicContact CD2-CE1 4.02Å; L48-I114 HydrophobicContact CD2-CD1 4.44Å
49R97.6Very high93Very high94 Ų9457.3 Ų57.336%0.35530%0.3SS..EExtended strand (participates in β ladder)trans-110.1138.4172.6177.3175.9-79.6163.8-1109.9V31 E32 V34 I51 E76 I77V31-R49 WeakPolarHBondContact CA-O 3.16Å; E32-R49 PolarHBondContact N-O 3.3Å; E32-R49 PolarHBondContact O-N 2.98Å; V34-R49 HydrophobicContact CG2-CB 3.43Å; V34-R49 VanDerWaalsContact CG2-CB 3.43Å; R49-I51 HydrophobicContact CG-CG1 4.03Å; R49-E76 CarbonylContact C-O 3.59Å; R49-E76 WeakPolarHBondContact CA-O 3.21Å; R49-E76 WeakPolarHBondContact CD-OE1 3.41Å; R49-E76 HydrophobicContact CG-CG 4.12Å; R49-E76 WeakPolarHBondContact CG-OE1 3.4Å; R49-E76 IonicContact CZ-OE1 2.66Å; R49-E76 IonicContact NE-OE1 3.71Å; R49-E76 PolarHBondContact NE-OE1 2.84Å; R49-I77 HydrophobicContact CB-CD1 3.65Å; R49-I77 HydrophobicContact CG-CD1 3.86Å
50C97.4Very high92.9Very high0 Ų057.6 Ų57.60%030%0.301CS..EExtended strand (participates in β ladder)trans-97.8117.8169.6-170.90000109.8V30 Y62 W64 E76 C93V30-C50 CarbonylContact O-C 3.58Å; V30-C50 WeakPolarHBondContact O-CA 3.32Å; C50-Y62 HydrophobicContact CB-CD1 3.68Å; C50-Y62 HydrophobicContact CB-CE1 4.08Å; C50-Y62 WeakPolarHBondContact O-CE1 3.45Å; C50-W64 HydrophobicContact CB-CH2 4.06Å; C50-W64 HydrophobicContact CB-CZ2 3.61Å; C50-E76 PolarHBondContact N-O 3.05Å; C50-E76 WeakPolarHBondContact O-CG 3.25Å; C50-C93 VanDerWaalsContact CA-SG 3.55Å; C50-C93 HydrophobicContact CB-CB 3.57Å; C50-C93 WeakPolarHBondContact CB-SG 3.35Å; C50-C93 WeakPolarHBondContact SG-CB 3.05Å; C50-C93 CovalentContact SG-SG 2.03Å; C50-C93 PolarHBondContact SG-SG 2.73Å
51I95.6Very high92.8Very high65 Ų6559.3 Ų59.333%0.33332%0.319SS..EExtended strand (participates in β ladder)trans-105.1127.8178.4-59.3173.7000108.5A29 V30 E32 R49A29-I51 CarbonylContact C-O 3.51Å; A29-I51 VanDerWaalsContact CA-O 3.3Å; A29-I51 WeakPolarHBondContact CA-O 3.46Å; V30-I51 HydrophobicContact CB-CB 4.42Å; V30-I51 PolarHBondContact N-O 3.02Å; V30-I51 PolarHBondContact O-N 3.28Å; E32-I51 HydrophobicContact CB-CD1 4.2Å; E32-I51 WeakPolarHBondContact OE2-CD1 3.03Å; R49-I51 HydrophobicContact CG-CG1 4.03Å
52I94.7Very high92.8Very high21 Ų2161.1 Ų61.111%0.10833%0.326CS..  trans-107.3115.3172.6-60.3164.4000106.9A29 D54 W60 Y62 G95 T106A29-I52 HydrophobicContact CB-CG1 4.38Å; I52-D54 HydrophobicContact CG2-CB 3.99Å; I52-D54 PolarHBondContact O-N 2.9Å; I52-W60 HydrophobicContact CD1-CB 3.44Å; I52-W60 VanDerWaalsContact CD1-CB 3.44Å; I52-W60 HydrophobicContact CD1-CD2 3.83Å; I52-W60 HydrophobicContact CD1-CE3 4.43Å; I52-W60 HydrophobicContact CD1-CG 3.34Å; I52-Y62 HydrophobicContact CD1-CD1 4.18Å; I52-Y62 HydrophobicContact CD1-CE1 3.64Å; I52-Y62 HydrophobicContact CG1-CE1 4.16Å; I52-G95 VanDerWaalsContact CD1-CA 3.48Å; I52-T106 HydrophobicContact CD1-CG2 4.39Å; I52-T106 HydrophobicContact CG1-CG2 4.43Å; I52-T106 HydrophobicContact CG2-CG2 3.77Å
53P91.1Very high92.8Very high72 Ų7260 Ų6047%0.46832%0.317SS..  trans-77.359.3-179.533.7-36.1000110.6R28R28-P53 WeakPolarHBondContact O-CD 3.33Å; R28-P53 WeakPolarHBondContact O-CG 3.25Å
54D87.6Confident92.9Very high15 Ų1558.2 Ų58.28%0.0830%0.298CS..  trans-91.1113.4177.317814.7000109.3Y27 I52 Y56 Q57 A58 W60Y27-D54 HydrophobicContact CD2-CB 4.11Å; Y27-D54 HydrophobicContact CE2-CB 3.92Å; Y27-D54 WeakPolarHBondContact CE2-OD1 3.22Å; Y27-D54 PolarHBondContact OH-OD1 2.77Å; I52-D54 HydrophobicContact CG2-CB 3.99Å; I52-D54 PolarHBondContact O-N 2.9Å; D54-Y56 PolarHBondContact O-N 2.87Å; D54-Y56 VanDerWaalsContact O-N 3.13Å; D54-Y56 PolarHBondContact OD1-N 2.9Å; D54-Y56 VanDerWaalsContact OD1-N 3.13Å; D54-Q57 PolarHBondContact O-N 3.39Å; D54-A58 VanDerWaalsContact OD2-CB 3.23Å; D54-A58 WeakPolarHBondContact OD2-CB 3.49Å; D54-A58 PolarHBondContact OD2-N 2.88Å; D54-W60 PolarHBondContact OD2-NE1 2.8Å
55P83.3Confident93Very high92 Ų9256.6 Ų56.660%0.59729%0.29SS*.THydrogen-bonded Turntrans-61.7-21.5-179.726-34.8000113.1Y27Y27-P55 HydrophobicContact CE1-CG 4.46Å; Y27-P55 WeakPolarHBondContact OH-CD 3.27Å
56Y85.9Confident93Very high192 Ų19253 Ų5375%0.75328%0.276SS*.THydrogen-bonded Turntrans-93.21179.7-54.7-73.7000113.3D54 A58D54-Y56 PolarHBondContact O-N 2.87Å; D54-Y56 VanDerWaalsContact O-N 3.13Å; D54-Y56 PolarHBondContact OD1-N 2.9Å; D54-Y56 VanDerWaalsContact OD1-N 3.13Å; Y56-A58 PolarHBondContact O-N 2.83Å; Y56-A58 VanDerWaalsContact O-N 3.12Å
57Q79.8Confident93Very high175 Ų17554.6 Ų54.682%0.81829%0.294SS*.  trans46.843.1177.9-59179.915.700112.9D54D54-Q57 PolarHBondContact O-N 3.39Å
58A82.8Confident92.9Very high29 Ų2959.2 Ų59.224%0.2433%0.326CS..  trans-61.9152.8-179.900000110.8D54 Y56 W60D54-A58 VanDerWaalsContact OD2-CB 3.23Å; D54-A58 WeakPolarHBondContact OD2-CB 3.49Å; D54-A58 PolarHBondContact OD2-N 2.88Å; Y56-A58 PolarHBondContact O-N 2.83Å; Y56-A58 VanDerWaalsContact O-N 3.12Å; A58-W60 PolarHBondContact O-N 2.95Å
59S88.6Confident92.9Very high113 Ų11363.5 Ų63.579%0.7935%0.352SS*.  trans-70.7114169.9-1730000109.5
60W92.9Very high92.9Very high26 Ų2664.1 Ų64.110%0.09836%0.359CS..  trans-107.5140.3179.1-68.596.9000110.5T25 Y27 I52 D54 A58 Y62 K97 I104 T106T25-W60 HydrophobicContact CG2-CH2 3.94Å; Y27-W60 HydrophobicContact CD2-CZ2 4.19Å; Y27-W60 HydrophobicContact CE2-CZ2 4.44Å; I52-W60 HydrophobicContact CD1-CB 3.44Å; I52-W60 VanDerWaalsContact CD1-CB 3.44Å; I52-W60 HydrophobicContact CD1-CD2 3.83Å; I52-W60 HydrophobicContact CD1-CE3 4.43Å; I52-W60 HydrophobicContact CD1-CG 3.34Å; D54-W60 PolarHBondContact OD2-NE1 2.8Å; A58-W60 PolarHBondContact O-N 2.95Å; W60-Y62 HydrophobicContact CB-CE2 4.44Å; W60-Y62 WeakPolarHBondContact O-CD2 3.35Å; W60-Y62 WeakPolarHBondContact O-CE2 3.42Å; W60-K97 HydrophobicContact CE3-CB 3.7Å; W60-K97 HydrophobicContact CH2-CB 4.48Å; W60-K97 HydrophobicContact CZ3-CB 3.66Å; W60-I104 HydrophobicContact CH2-CG2 4.38Å; W60-T106 HydrophobicContact CE3-CG2 4.24Å; W60-T106 HydrophobicContact CH2-CG2 3.98Å; W60-T106 HydrophobicContact CZ2-CG2 4.28Å; W60-T106 HydrophobicContact CZ3-CG2 3.95Å
61G95.4Very high92.9Very high38 Ų3865.1 Ų65.139%0.39236%0.364SS..EExtended strand (participates in β ladder)trans-78.3154.7156.300000110.1G95 K96G61-G95 CarbonylContact O-C 3.52Å; G61-G95 WeakPolarHBondContact O-CA 3.18Å; G61-K96 VanDerWaalsContact CA-O 3.28Å; G61-K96 WeakPolarHBondContact CA-O 3.47Å; G61-K96 PolarHBondContact N-O 2.92Å; G61-K96 PolarHBondContact O-N 3.42Å
62Y96.9Very high92.9Very high44 Ų4468 Ų6817%0.17339%0.387CS..EExtended strand (participates in β ladder)trans-125.6130.5-174-62-93000111.4C50 I52 W60 T74 G75 E76C50-Y62 HydrophobicContact CB-CD1 3.68Å; C50-Y62 HydrophobicContact CB-CE1 4.08Å; C50-Y62 WeakPolarHBondContact O-CE1 3.45Å; I52-Y62 HydrophobicContact CD1-CD1 4.18Å; I52-Y62 HydrophobicContact CD1-CE1 3.64Å; I52-Y62 HydrophobicContact CG1-CE1 4.16Å; W60-Y62 HydrophobicContact CB-CE2 4.44Å; W60-Y62 WeakPolarHBondContact O-CD2 3.35Å; W60-Y62 WeakPolarHBondContact O-CE2 3.42Å; Y62-T74 WeakPolarHBondContact O-CA 3.24Å; Y62-T74 WeakPolarHBondContact O-CB 3.45Å; Y62-G75 WeakPolarHBondContact CB-O 3.45Å; Y62-G75 PolarHBondContact O-N 2.81Å; Y62-E76 HydrophobicContact CD2-CB 4.03Å; Y62-E76 VanDerWaalsContact CD2-N 3.35Å; Y62-E76 HydrophobicContact CE1-CB 4.27Å; Y62-E76 HydrophobicContact CE1-CG 4.02Å; Y62-E76 HydrophobicContact CE2-CB 3.71Å; Y62-E76 HydrophobicContact CE2-CG 4.16Å; Y62-E76 HydrophobicContact CG-CB 4.44Å
63L97.7Very high93Very high20 Ų2070.7 Ų70.711%0.10540%0.399CS..EExtended strand (participates in β ladder)trans-112.5135.1175.4-56.1178.2000109.4F65 C93 Q94 K96L63-F65 HydrophobicContact CB-CE2 3.68Å; L63-F65 HydrophobicContact CB-CZ 3.94Å; L63-F65 HydrophobicContact CD1-CZ 4.32Å; L63-C93 CarbonylContact O-C 3.45Å; L63-C93 VanDerWaalsContact O-CA 3.23Å; L63-C93 WeakPolarHBondContact O-CA 3.32Å; L63-Q94 HydrophobicContact CB-CB 4.5Å; L63-Q94 PolarHBondContact N-O 3.03Å; L63-Q94 PolarHBondContact O-N 3.49Å; L63-K96 HydrophobicContact CD1-CB 4.08Å; L63-K96 HydrophobicContact CD1-CD 4.12Å; L63-K96 HydrophobicContact CG-CB 4.22Å
64W98.4Very high93.2Very high1 Ų172.1 Ų72.10%0.00441%0.406CS..EExtended strand (participates in β ladder)trans-111.7148.4176.4-73.594.4000111.3V31 L48 C50 Q70 L71 G75 F78 C93V31-W64 HydrophobicContact CG1-CH2 4.22Å; V31-W64 HydrophobicContact CG1-CZ3 4.09Å; V31-W64 HydrophobicContact CG2-CH2 4.09Å; V31-W64 HydrophobicContact CG2-CZ3 3.74Å; L48-W64 HydrophobicContact CB-CH2 3.6Å; L48-W64 HydrophobicContact CB-CZ2 4.43Å; L48-W64 HydrophobicContact CB-CZ3 3.96Å; L48-W64 HydrophobicContact CD1-CZ3 4.16Å; C50-W64 HydrophobicContact CB-CH2 4.06Å; C50-W64 HydrophobicContact CB-CZ2 3.61Å; W64-Q70 WeakPolarHBondContact O-CA 3.4Å; W64-Q70 WeakPolarHBondContact O-CG 3.26Å; W64-L71 HydrophobicContact CB-CB 4.27Å; W64-L71 HydrophobicContact CB-CD1 4.3Å; W64-L71 PolarHBondContact O-N 2.93Å; W64-G75 PolarHBondContact NE1-O 3.42Å; W64-F78 HydrophobicContact CB-CD2 4.14Å; W64-F78 HydrophobicContact CD2-CB 3.48Å; W64-F78 VanDerWaalsContact CD2-CB 3.48Å; W64-F78 HydrophobicContact CD2-CD2 4.31Å; W64-F78 HydrophobicContact CD2-CG 4.06Å; W64-F78 HydrophobicContact CE3-CB 3.93Å; W64-F78 HydrophobicContact CE3-CG 4.29Å; W64-F78 HydrophobicContact CG-CB 3.9Å; W64-F78 AromaticContact CG-CD2 3.99Å; W64-F78 HydrophobicContact CG-CD2 3.99Å; W64-F78 HydrophobicContact CG-CG 4.22Å; W64-F78 HydrophobicContact CH2-CB 4.03Å; W64-F78 HydrophobicContact CZ2-CB 3.6Å; W64-F78 HydrophobicContact CZ3-CB 4.18Å; W64-C93 HydrophobicContact CD2-CB 3.91Å; W64-C93 HydrophobicContact CE3-CB 3.75Å; W64-C93 HydrophobicContact CH2-CB 4.04Å; W64-C93 HydrophobicContact CZ2-CB 4.19Å; W64-C93 HydrophobicContact CZ3-CB 3.81Å
65F98.4Very high93.6Very high20 Ų2072.6 Ų72.69%0.08842%0.415CS..EExtended strand (participates in β ladder)trans-138.2142.7-177.6-56.3-97000110.4L63 V69 Q70 Y91 S92 Q94 R108L63-F65 HydrophobicContact CB-CE2 3.68Å; L63-F65 HydrophobicContact CB-CZ 3.94Å; L63-F65 HydrophobicContact CD1-CZ 4.32Å; F65-V69 CarbonylContact C-O 3.59Å; F65-V69 WeakPolarHBondContact CA-O 3.47Å; F65-Q70 HydrophobicContact CD1-CB 3.77Å; F65-Q70 HydrophobicContact CD1-CG 4.09Å; F65-Q70 HydrophobicContact CE1-CB 3.64Å; F65-Q70 HydrophobicContact CE1-CG 3.73Å; F65-Q70 HydrophobicContact CZ-CG 4.13Å; F65-Y91 CarbonylContact O-C 3.58Å; F65-Y91 VanDerWaalsContact O-CA 3.3Å; F65-Y91 WeakPolarHBondContact O-CA 3.39Å; F65-S92 PolarHBondContact N-O 2.78Å; F65-S92 PolarHBondContact O-N 3.33Å; F65-Q94 HydrophobicContact CE2-CB 3.83Å; F65-R108 HydrophobicContact CD2-CG 4.49Å
66R97.7Very high94.2Very high81 Ų8172 Ų7231%0.30641%0.405SS..EExtended strand (participates in β ladder)trans-114.7109.9164.4-171.3175.568.3-155.64108.6S68 V69 L71 E87 K90 Y91R66-S68 PolarHBondContact O-N 2.8Å; R66-V69 PolarHBondContact N-O 3.32Å; R66-V69 PolarHBondContact O-N 3.32Å; R66-V69 VanDerWaalsContact O-N 3.14Å; R66-L71 HydrophobicContact CB-CD1 4.21Å; R66-L71 HydrophobicContact CB-CD2 3.97Å; R66-L71 HydrophobicContact CB-CG 4.28Å; R66-E87 WeakPolarHBondContact CD-O 3.49Å; R66-E87 VanDerWaalsContact NH1-CA 3.27Å; R66-K90 CarbonylContact C-O 3.5Å; R66-K90 WeakPolarHBondContact CA-O 3.44Å; R66-Y91 HydrophobicContact CB-CE1 4.44Å; R66-Y91 HydrophobicContact CG-CE2 4.22Å
67G95.8Very high94.8Very high36 Ų3665.4 Ų65.437%0.37138%0.382SS..THydrogen-bonded Turntrans65-118.6-16900000111.3K90 R108G67-K90 PolarHBondContact N-O 3Å; G67-R108 PolarHBondContact O-NH1 3.16Å
68S95.3Very high95.7Very high109 Ų10957.5 Ų57.576%0.76235%0.345SS*.THydrogen-bonded Turntrans-93.6-11.2173.851.30000113.5R66R66-S68 PolarHBondContact O-N 2.8Å
69V97.3Very high96.3Very high91 Ų9159.2 Ų59.255%0.55235%0.348SS*.EExtended strand (participates in β ladder)trans-88.7126.7-172.3-179.40000110.1F65 R66F65-V69 CarbonylContact C-O 3.59Å; F65-V69 WeakPolarHBondContact CA-O 3.47Å; R66-V69 PolarHBondContact N-O 3.32Å; R66-V69 PolarHBondContact O-N 3.32Å; R66-V69 VanDerWaalsContact O-N 3.14Å
70Q97.8Very high96.7Very high107 Ų10754.1 Ų54.150%0.531%0.312SS..EExtended strand (participates in β ladder)trans-72132.2171-167.4-179.4-59.500109.8W64 F65W64-Q70 WeakPolarHBondContact O-CA 3.4Å; W64-Q70 WeakPolarHBondContact O-CG 3.26Å; F65-Q70 HydrophobicContact CD1-CB 3.77Å; F65-Q70 HydrophobicContact CD1-CG 4.09Å; F65-Q70 HydrophobicContact CE1-CB 3.64Å; F65-Q70 HydrophobicContact CE1-CG 3.73Å; F65-Q70 HydrophobicContact CZ-CG 4.13Å
71L97.6Very high96.8Very high20 Ų2059.7 Ų59.711%0.10533%0.333CS..EExtended strand (participates in β ladder)trans-85.8152.8177.3-61.7177.9000110.3W64 R66 Q73 F78 Y91W64-L71 HydrophobicContact CB-CB 4.27Å; W64-L71 HydrophobicContact CB-CD1 4.3Å; W64-L71 PolarHBondContact O-N 2.93Å; R66-L71 HydrophobicContact CB-CD1 4.21Å; R66-L71 HydrophobicContact CB-CD2 3.97Å; R66-L71 HydrophobicContact CB-CG 4.28Å; L71-Q73 VanDerWaalsContact C-N 3.31Å; L71-Q73 PolarHBondContact O-N 2.03Å; L71-F78 HydrophobicContact CB-CE2 4.5Å; L71-F78 HydrophobicContact CD1-CD2 4.31Å; L71-F78 HydrophobicContact CD1-CE2 3.53Å; L71-F78 HydrophobicContact CD1-CZ 3.73Å; L71-Y91 HydrophobicContact CD1-CD1 4.01Å; L71-Y91 HydrophobicContact CD1-CE1 3.73Å
72P96.8Very high96.9Very high126 Ų12663.9 Ų63.982%0.81835%0.346SS*.EExtended strand (participates in β ladder)trans-71.2-25.1179.227.8-35000113.1T74P72-T74 PolarHBondContact O-N 2.77Å
73Q96.7Very high96.9Very high77 Ų7761.9 Ų61.936%0.3634%0.339SS..EExtended strand (participates in β ladder)trans-69.3129.7177-74.8-171.925.500111L71 F78 Q79L71-Q73 VanDerWaalsContact C-N 3.31Å; L71-Q73 PolarHBondContact O-N 2.03Å; Q73-F78 HydrophobicContact CB-CD2 3.77Å; Q73-F78 HydrophobicContact CB-CE2 3.92Å; Q73-F78 HydrophobicContact CG-CD2 4.35Å; Q73-F78 HydrophobicContact CG-CE2 4.19Å; Q73-Q79 PolarHBondContact NE2-O 2.99Å; Q73-Q79 PolarHBondContact OE1-O 2.97Å
74T95.1Very high96.9Very high102 Ų10264.9 Ų64.963%0.62636%0.355SS*.EExtended strand (participates in β ladder)trans-120.6155.2174.358.10000110Y62 P72Y62-T74 WeakPolarHBondContact O-CA 3.24Å; Y62-T74 WeakPolarHBondContact O-CB 3.45Å; P72-T74 PolarHBondContact O-N 2.77Å
75G95.6Very high96.8Very high26 Ų2668.2 Ų68.227%0.26838%0.375SS..SBendtrans121.1163.5-179.700000112.6Y62 W64 I77Y62-G75 WeakPolarHBondContact CB-O 3.45Å; Y62-G75 PolarHBondContact O-N 2.81Å; W64-G75 PolarHBondContact NE1-O 3.42Å; G75-I77 PolarHBondContact O-N 3.32Å
76E96.4Very high96.7Very high79 Ų7975.9 Ų75.937%0.36941%0.409SS..SBendtrans-60.7-35.6-175.4-167.8-163.4148.200111.7R49 C50 Y62R49-E76 CarbonylContact C-O 3.59Å; R49-E76 WeakPolarHBondContact CA-O 3.21Å; R49-E76 WeakPolarHBondContact CD-OE1 3.41Å; R49-E76 HydrophobicContact CG-CG 4.12Å; R49-E76 WeakPolarHBondContact CG-OE1 3.4Å; R49-E76 IonicContact CZ-OE1 2.66Å; R49-E76 IonicContact NE-OE1 3.71Å; R49-E76 PolarHBondContact NE-OE1 2.84Å; C50-E76 PolarHBondContact N-O 3.05Å; C50-E76 WeakPolarHBondContact O-CG 3.25Å; Y62-E76 HydrophobicContact CD2-CB 4.03Å; Y62-E76 VanDerWaalsContact CD2-N 3.35Å; Y62-E76 HydrophobicContact CE1-CB 4.27Å; Y62-E76 HydrophobicContact CE1-CG 4.02Å; Y62-E76 HydrophobicContact CE2-CB 3.71Å; Y62-E76 HydrophobicContact CE2-CG 4.16Å; Y62-E76 HydrophobicContact CG-CB 4.44Å
77I97.8Very high96.7Very high53 Ų5374.7 Ų74.727%0.27241%0.407SS..EExtended strand (participates in β ladder)trans-103.8122.3178-53.3-59.9000110V34 L48 R49 G75 Q79V34-I77 HydrophobicContact CG2-CD1 4.16Å; L48-I77 CarbonylContact O-C 3.59Å; L48-I77 VanDerWaalsContact O-CA 3.28Å; L48-I77 WeakPolarHBondContact O-CA 3.21Å; R49-I77 HydrophobicContact CB-CD1 3.65Å; R49-I77 HydrophobicContact CG-CD1 3.86Å; G75-I77 PolarHBondContact O-N 3.32Å; I77-Q79 HydrophobicContact CG2-CG 3.81Å
78F97.9Very high96.8Very high9 Ų974.7 Ų74.74%0.03940%0.401CS..EExtended strand (participates in β ladder)trans-95.8134.7165.9174.7-94.2000109.8S47 L48 W64 L71 Q73 L80 Y91S47-F78 CarbonylContact C-O 3.48Å; S47-F78 WeakPolarHBondContact CA-O 3.47Å; L48-F78 HydrophobicContact CB-CB 4.45Å; L48-F78 HydrophobicContact CD1-CD1 4.27Å; L48-F78 PolarHBondContact N-O 2.9Å; L48-F78 PolarHBondContact O-N 2.93Å; W64-F78 HydrophobicContact CB-CD2 4.14Å; W64-F78 HydrophobicContact CD2-CB 3.48Å; W64-F78 VanDerWaalsContact CD2-CB 3.48Å; W64-F78 HydrophobicContact CD2-CD2 4.31Å; W64-F78 HydrophobicContact CD2-CG 4.06Å; W64-F78 HydrophobicContact CE3-CB 3.93Å; W64-F78 HydrophobicContact CE3-CG 4.29Å; W64-F78 HydrophobicContact CG-CB 3.9Å; W64-F78 AromaticContact CG-CD2 3.99Å; W64-F78 HydrophobicContact CG-CD2 3.99Å; W64-F78 HydrophobicContact CG-CG 4.22Å; W64-F78 HydrophobicContact CH2-CB 4.03Å; W64-F78 HydrophobicContact CZ2-CB 3.6Å; W64-F78 HydrophobicContact CZ3-CB 4.18Å; L71-F78 HydrophobicContact CB-CE2 4.5Å; L71-F78 HydrophobicContact CD1-CD2 4.31Å; L71-F78 HydrophobicContact CD1-CE2 3.53Å; L71-F78 HydrophobicContact CD1-CZ 3.73Å; Q73-F78 HydrophobicContact CB-CD2 3.77Å; Q73-F78 HydrophobicContact CB-CE2 3.92Å; Q73-F78 HydrophobicContact CG-CD2 4.35Å; Q73-F78 HydrophobicContact CG-CE2 4.19Å; F78-L80 HydrophobicContact CE1-CB 4.21Å; F78-Y91 HydrophobicContact CD1-CD1 4.34Å; F78-Y91 HydrophobicContact CD1-CE1 4.31Å; F78-Y91 AromaticContact CE1-CD1 3.89Å; F78-Y91 HydrophobicContact CE1-CD1 3.89Å; F78-Y91 AromaticContact CE1-CE1 3.44Å; F78-Y91 HydrophobicContact CE1-CE1 3.44Å; F78-Y91 VanDerWaalsContact CE1-CE1 3.44Å; F78-Y91 HydrophobicContact CZ-CD1 4.29Å; F78-Y91 AromaticContact CZ-CE1 3.63Å; F78-Y91 HydrophobicContact CZ-CE1 3.63Å
79Q97Very high96.8Very high65 Ų6570.5 Ų70.530%0.30438%0.375SS..EExtended strand (participates in β ladder)trans-123.6123.3179.1-59.5-160.70.100111.1Q73 I77 W81Q73-Q79 PolarHBondContact NE2-O 2.99Å; Q73-Q79 PolarHBondContact OE1-O 2.97Å; I77-Q79 HydrophobicContact CG2-CG 3.81Å; Q79-W81 VanDerWaalsContact CB-NE1 3.34Å
80L96.6Very high96.8Very high6 Ų671.4 Ų71.43%0.03137%0.371CS..EExtended strand (participates in β ladder)trans-91.7112.2168.3-166.965.5000107.5I40 R45 L46 F78 A83 E87 V116I40-L80 HydrophobicContact CD1-CD2 4.44Å; R45-L80 WeakPolarHBondContact CA-O 3.37Å; R45-L80 WeakPolarHBondContact CB-O 3.43Å; L46-L80 HydrophobicContact CD1-CB 4.02Å; L46-L80 HydrophobicContact CG-CB 4.02Å; L46-L80 HydrophobicContact CG-CD2 4.42Å; L46-L80 PolarHBondContact N-O 2.85Å; L46-L80 VanDerWaalsContact N-O 3.12Å; L46-L80 PolarHBondContact O-N 3.47Å; F78-L80 HydrophobicContact CE1-CB 4.21Å; L80-A83 HydrophobicContact CD2-CB 3.67Å; L80-A83 HydrophobicContact CG-CB 3.94Å; L80-E87 HydrophobicContact CD1-CB 4.17Å; L80-E87 HydrophobicContact CD1-CG 4.46Å; L80-E87 WeakPolarHBondContact CD1-OE2 3.5Å; L80-V116 HydrophobicContact CD2-CG2 4.21Å
81W95.6Very high96.8Very high143 Ų14366.4 Ų66.454%0.54235%0.348SS..  trans-105.6139.2178.2-70.995.1000109.8R45 Q79 A83R45-W81 HydrophobicContact CB-CE3 4.26Å; Q79-W81 VanDerWaalsContact CB-NE1 3.34Å; W81-A83 VanDerWaalsContact C-N 3.32Å; W81-A83 PolarHBondContact O-N 2.79Å
82N96.4Very high96.8Very high126 Ų12665.6 Ų65.667%0.67434%0.344SS*.SBendtrans49.353.5178-171.335.5000111.9G43 E44 N84G43-N82 WeakPolarHBondContact CA-OD1 3.29Å; E44-N82 PolarHBondContact O-N 3.05Å; N82-N84 PolarHBondContact O-N 2.72Å
83A97.3Very high96.9Very high2 Ų259.6 Ų59.62%0.01731%0.305CS..  trans-52.8134.5-165.400000113.1I40 S42 G43 E44 L80 W81 V116I40-A83 HydrophobicContact CD1-CB 3.58Å; S42-A83 CarbonylContact C-O 3.51Å; S42-A83 WeakPolarHBondContact CA-O 3.31Å; G43-A83 PolarHBondContact N-O 2.82Å; E44-A83 VanDerWaalsContact O-CB 3.31Å; E44-A83 WeakPolarHBondContact O-CB 3.38Å; E44-A83 PolarHBondContact O-N 2.84Å; L80-A83 HydrophobicContact CD2-CB 3.67Å; L80-A83 HydrophobicContact CG-CB 3.94Å; W81-A83 VanDerWaalsContact C-N 3.32Å; W81-A83 PolarHBondContact O-N 2.79Å; A83-V116 HydrophobicContact CB-CG1 3.84Å; A83-V116 HydrophobicContact CB-CG2 4.02Å
84N97.2Very high96.9Very high83 Ų8357.4 Ų57.444%0.44430%0.295SS..  trans-101.8147.4174.6-168.1-79.4000111.2N82 K86 E87N82-N84 PolarHBondContact O-N 2.72Å; N84-K86 PolarHBondContact O-N 3.47Å; N84-K86 VanDerWaalsContact O-N 3.15Å; N84-K86 WeakPolarHBondContact OD1-CB 3.41Å; N84-K86 WeakPolarHBondContact OD1-CG 3.29Å; N84-K86 PolarHBondContact OD1-N 2.93Å; N84-E87 HydrophobicContact CB-CG 4.07Å; N84-E87 PolarHBondContact N-OE2 3.42Å; N84-E87 WeakPolarHBondContact O-CA 3.33Å; N84-E87 VanDerWaalsContact O-CB 3.31Å; N84-E87 WeakPolarHBondContact O-CB 3.24Å; N84-E87 PolarHBondContact O-N 3.43Å
85V96.9Very high96.9Very high72 Ų7252.6 Ų52.644%0.43627%0.265SS..G310 helixtrans-54.9-36.4178.5178.90000111.9E87 S88V85-E87 PolarHBondContact O-N 2.81Å; V85-E87 VanDerWaalsContact O-N 3.16Å; V85-S88 WeakPolarHBondContact O-CB 3.35Å; V85-S88 PolarHBondContact O-N 2.86Å; V85-S88 VanDerWaalsContact O-N 3.16Å; V85-S88 PolarHBondContact O-OG 3.38Å
86K96.6Very high96.8Very high181 Ų18154.4 Ų54.479%0.78727%0.266SS*.G310 helixtrans-65.8-12.6176.8-63.6-179.2-178.9-1800113.7N84N84-K86 PolarHBondContact O-N 3.47Å; N84-K86 VanDerWaalsContact O-N 3.15Å; N84-K86 WeakPolarHBondContact OD1-CB 3.41Å; N84-K86 WeakPolarHBondContact OD1-CG 3.29Å; N84-K86 PolarHBondContact OD1-N 2.93Å
87E96.7Very high96.5Very high56 Ų5654.6 Ų54.626%0.26227%0.265SS..G310 helixtrans-89.8-5.2178.3-58.2177.4123.200113.5R66 L80 N84 V85 Y91R66-E87 WeakPolarHBondContact CD-O 3.49Å; R66-E87 VanDerWaalsContact NH1-CA 3.27Å; L80-E87 HydrophobicContact CD1-CB 4.17Å; L80-E87 HydrophobicContact CD1-CG 4.46Å; L80-E87 WeakPolarHBondContact CD1-OE2 3.5Å; N84-E87 HydrophobicContact CB-CG 4.07Å; N84-E87 PolarHBondContact N-OE2 3.42Å; N84-E87 WeakPolarHBondContact O-CA 3.33Å; N84-E87 VanDerWaalsContact O-CB 3.31Å; N84-E87 WeakPolarHBondContact O-CB 3.24Å; N84-E87 PolarHBondContact O-N 3.43Å; V85-E87 PolarHBondContact O-N 2.81Å; V85-E87 VanDerWaalsContact O-N 3.16Å; E87-Y91 WeakPolarHBondContact O-CE2 3.31Å; E87-Y91 PolarHBondContact O-OH 2.63Å
88S97.2Very high96.1Very high36 Ų3657.7 Ų57.725%0.25228%0.278SS..  trans-52.4141.6167.3-58.10000111.2V85 I114 V116V85-S88 WeakPolarHBondContact O-CB 3.35Å; V85-S88 PolarHBondContact O-N 2.86Å; V85-S88 VanDerWaalsContact O-N 3.16Å; V85-S88 PolarHBondContact O-OG 3.38Å; S88-I114 WeakPolarHBondContact CA-O 3.43Å; S88-V116 PolarHBondContact OG-N 3.15Å; S88-V116 PolarHBondContact OG-O 3.38Å
89G96.4Very high95.5Very high21 Ų2159.6 Ų59.622%0.21629%0.291CS..EExtended strand (participates in β ladder)trans154.8-169.9176.400000114.1Y91 E113 I114G89-Y91 WeakPolarHBondContact O-CD2 3.42Å; G89-E113 WeakPolarHBondContact O-CA 3.5Å; G89-I114 PolarHBondContact N-O 3.11Å; G89-I114 PolarHBondContact O-N 3.26Å
90K97.4Very high94.7Very high110 Ų11065 Ų6548%0.47832%0.322SS..EExtended strand (participates in β ladder)trans-95108.1-175.8-72.9-179.1-176.1-178.50110.3R66 G67 P111 E113R66-K90 CarbonylContact C-O 3.5Å; R66-K90 WeakPolarHBondContact CA-O 3.44Å; G67-K90 PolarHBondContact N-O 3Å; K90-P111 HydrophobicContact CB-CB 3.74Å; K90-P111 HydrophobicContact CD-CB 4.18Å; K90-P111 HydrophobicContact CD-CG 4.45Å; K90-P111 HydrophobicContact CG-CB 4.15Å; K90-E113 VanDerWaalsContact CE-OE2 3.29Å; K90-E113 WeakPolarHBondContact CE-OE2 3.38Å; K90-E113 HydrophobicContact CG-CB 4.29Å; K90-E113 HydrophobicContact CG-CG 4.26Å
91Y97.9Very high93.9Very high2 Ų269.3 Ų69.31%0.00835%0.348CS..EExtended strand (participates in β ladder)trans-90.8136.8179.4-73.5-100.7000110.6L48 F65 R66 L71 F78 E87 G89 P111 Y112 I114L48-Y91 HydrophobicContact CD1-CD1 4.35Å; L48-Y91 HydrophobicContact CD1-CG 4.14Å; F65-Y91 CarbonylContact O-C 3.58Å; F65-Y91 VanDerWaalsContact O-CA 3.3Å; F65-Y91 WeakPolarHBondContact O-CA 3.39Å; R66-Y91 HydrophobicContact CB-CE1 4.44Å; R66-Y91 HydrophobicContact CG-CE2 4.22Å; L71-Y91 HydrophobicContact CD1-CD1 4.01Å; L71-Y91 HydrophobicContact CD1-CE1 3.73Å; F78-Y91 HydrophobicContact CD1-CD1 4.34Å; F78-Y91 HydrophobicContact CD1-CE1 4.31Å; F78-Y91 AromaticContact CE1-CD1 3.89Å; F78-Y91 HydrophobicContact CE1-CD1 3.89Å; F78-Y91 AromaticContact CE1-CE1 3.44Å; F78-Y91 HydrophobicContact CE1-CE1 3.44Å; F78-Y91 VanDerWaalsContact CE1-CE1 3.44Å; F78-Y91 HydrophobicContact CZ-CD1 4.29Å; F78-Y91 AromaticContact CZ-CE1 3.63Å; F78-Y91 HydrophobicContact CZ-CE1 3.63Å; E87-Y91 WeakPolarHBondContact O-CE2 3.31Å; E87-Y91 PolarHBondContact O-OH 2.63Å; G89-Y91 WeakPolarHBondContact O-CD2 3.42Å; Y91-P111 CarbonylContact O-C 3.5Å; Y91-P111 WeakPolarHBondContact O-CA 3.15Å; Y91-Y112 PolarHBondContact N-O 2.79Å; Y91-Y112 PolarHBondContact O-N 2.85Å; Y91-I114 HydrophobicContact CD2-CB 3.93Å; Y91-I114 HydrophobicContact CD2-CG1 3.72Å; Y91-I114 HydrophobicContact CE2-CB 3.89Å; Y91-I114 HydrophobicContact CE2-CG1 4.08Å; Y91-I114 HydrophobicContact CG-CG1 4.49Å
92S98.3Very high93.4Very high2 Ų264.2 Ų64.21%0.01434%0.34CS..EExtended strand (participates in β ladder)trans-143.2158174.655.60000110.2F65 R108 S109F65-S92 PolarHBondContact N-O 2.78Å; F65-S92 PolarHBondContact O-N 3.33Å; S92-R108 WeakPolarHBondContact OG-CD 3.48Å; S92-R108 PolarHBondContact OG-NE 3.16Å; S92-S109 VanDerWaalsContact CA-OG 3.26Å; S92-S109 WeakPolarHBondContact CA-OG 3.44Å; S92-S109 VanDerWaalsContact CB-OG 3.32Å; S92-S109 WeakPolarHBondContact CB-OG 3.42Å
93C97.9Very high92.8Very high0 Ų059.7 Ų59.70%032%0.318CS..EExtended strand (participates in β ladder)trans-129.2161.5179.975.70000112.2V31 C50 L63 W64 R108 S109V31-C93 HydrophobicContact CG2-CB 4.07Å; C50-C93 VanDerWaalsContact CA-SG 3.55Å; C50-C93 HydrophobicContact CB-CB 3.57Å; C50-C93 WeakPolarHBondContact CB-SG 3.35Å; C50-C93 WeakPolarHBondContact SG-CB 3.05Å; C50-C93 CovalentContact SG-SG 2.03Å; C50-C93 PolarHBondContact SG-SG 2.73Å; L63-C93 CarbonylContact O-C 3.45Å; L63-C93 VanDerWaalsContact O-CA 3.23Å; L63-C93 WeakPolarHBondContact O-CA 3.32Å; W64-C93 HydrophobicContact CD2-CB 3.91Å; W64-C93 HydrophobicContact CE3-CB 3.75Å; W64-C93 HydrophobicContact CH2-CB 4.04Å; W64-C93 HydrophobicContact CZ2-CB 4.19Å; W64-C93 HydrophobicContact CZ3-CB 3.81Å; C93-R108 WeakPolarHBondContact O-CG 3.29Å; C93-S109 PolarHBondContact N-OG 2.79Å; C93-S109 PolarHBondContact O-N 3.46Å
94Q96.4Very high92.5Very high32 Ų3261.8 Ų61.815%0.1533%0.329CS..EExtended strand (participates in β ladder)trans-146.9132.6177.8-167.3179.327.200109.6L63 F65 K105 T106L63-Q94 HydrophobicContact CB-CB 4.5Å; L63-Q94 PolarHBondContact N-O 3.03Å; L63-Q94 PolarHBondContact O-N 3.49Å; F65-Q94 HydrophobicContact CE2-CB 3.83Å; Q94-K105 HydrophobicContact CG-CB 4.47Å; Q94-T106 VanDerWaalsContact CG-O 3.25Å; Q94-T106 WeakPolarHBondContact CG-O 3.44Å; Q94-T106 PolarHBondContact NE2-O 2.62Å
95G95.3Very high92.3Very high0 Ų061.2 Ų61.20%032%0.322CS..EExtended strand (participates in β ladder)trans-74136.5165.900000112I52 G61 K105 T106I52-G95 VanDerWaalsContact CD1-CA 3.48Å; G61-G95 CarbonylContact O-C 3.52Å; G61-G95 WeakPolarHBondContact O-CA 3.18Å; G95-K105 CarbonylContact O-C 3.59Å; G95-K105 VanDerWaalsContact O-CA 3.31Å; G95-K105 WeakPolarHBondContact O-CA 3.31Å; G95-T106 WeakPolarHBondContact CA-OG1 3.36Å; G95-T106 PolarHBondContact N-OG1 3.39Å; G95-T106 PolarHBondContact O-N 3.24Å; G95-T106 PolarHBondContact O-OG1 2.91Å
96K94Very high92.1Very high65 Ų6557.8 Ų57.828%0.28330%0.301SS..EExtended strand (participates in β ladder)trans-129.3133.9174.1-178.6-175177.9-156.70109.1G61 L63 E98 K105G61-K96 VanDerWaalsContact CA-O 3.28Å; G61-K96 WeakPolarHBondContact CA-O 3.47Å; G61-K96 PolarHBondContact N-O 2.92Å; G61-K96 PolarHBondContact O-N 3.42Å; L63-K96 HydrophobicContact CD1-CB 4.08Å; L63-K96 HydrophobicContact CD1-CD 4.12Å; L63-K96 HydrophobicContact CG-CB 4.22Å; K96-E98 WeakPolarHBondContact CE-OE1 3.42Å; K96-E98 IonicContact NZ-OE1 3.63Å; K96-E98 PolarHBondContact NZ-OE1 3.34Å; K96-K105 HydrophobicContact CB-CG 4.37Å; K96-K105 HydrophobicContact CG-CG 4.18Å
97K90.6Very high92.1Very high83 Ų8352.3 Ų52.336%0.36128%0.281SS..EExtended strand (participates in β ladder)trans-133132.1175.6-177.2176.2-179.3-177.10109.2W60 S103 I104W60-K97 HydrophobicContact CE3-CB 3.7Å; W60-K97 HydrophobicContact CH2-CB 4.48Å; W60-K97 HydrophobicContact CZ3-CB 3.66Å; K97-S103 CarbonylContact O-C 3.55Å; K97-S103 WeakPolarHBondContact O-CA 3.35Å; K97-I104 PolarHBondContact N-O 2.81Å; K97-I104 PolarHBondContact O-N 3.16Å
98E89.4Confident92Very high117 Ų11754.5 Ų54.555%0.54729%0.286SS..EExtended strand (participates in β ladder)trans-83.8140.2170.8-56.2-61.8173.100109.5K96 S103K96-E98 WeakPolarHBondContact CE-OE1 3.42Å; K96-E98 IonicContact NZ-OE1 3.63Å; K96-E98 PolarHBondContact NZ-OE1 3.34Å; E98-S103 WeakPolarHBondContact OE2-CB 3.09Å
99T84.4Confident92Very high49 Ų4953 Ų5330%0.30128%0.276SS..EExtended strand (participates in β ladder)trans-134.5166.6174.971.30000109.6V101 G102 I104T99-V101 PolarHBondContact O-N 2.79Å; T99-V101 PolarHBondContact OG1-N 2.83Å; T99-G102 WeakPolarHBondContact CA-O 3.4Å; T99-G102 PolarHBondContact N-O 2.81Å; T99-G102 PolarHBondContact O-N 2.89Å; T99-G102 VanDerWaalsContact O-O 3.07Å; T99-G102 PolarHBondContact OG1-N 2.83Å; T99-G102 PolarHBondContact OG1-O 2.75Å; T99-I104 HydrophobicContact CG2-CD1 3.58Å; T99-I104 HydrophobicContact CG2-CG1 3.93Å
100D79.9Confident92Very high178 Ų17858 Ų5895%0.95230%0.297SS*.THydrogen-bonded Turntrans-60.6-15.6179-54.7-40.1000113.2
101V80.9Confident91.9Very high98 Ų9856.5 Ų56.559%0.59430%0.299SS*.THydrogen-bonded Turntrans-111.97.5-176.7-146.50000112.3V21 T99V21-V101 HydrophobicContact CB-CG1 4.28Å; V21-V101 HydrophobicContact CG1-CB 3.94Å; V21-V101 HydrophobicContact CG1-CG1 3.75Å; V21-V101 HydrophobicContact CG2-CG1 3.53Å; T99-V101 PolarHBondContact O-N 2.79Å; T99-V101 PolarHBondContact OG1-N 2.83Å
102G83.2Confident91.8Very high36 Ų3658.4 Ų58.437%0.37131%0.306SS..EExtended strand (participates in β ladder)trans130.3-157.8176.500000113.7T99T99-G102 WeakPolarHBondContact CA-O 3.4Å; T99-G102 PolarHBondContact N-O 2.81Å; T99-G102 PolarHBondContact O-N 2.89Å; T99-G102 VanDerWaalsContact O-O 3.07Å; T99-G102 PolarHBondContact OG1-N 2.83Å; T99-G102 PolarHBondContact OG1-O 2.75Å
103S85.3Confident91.6Very high31 Ų3163.3 Ų63.322%0.21733%0.329CS..EExtended strand (participates in β ladder)trans-103.7123.5179820000111T23 K97 E98T23-S103 WeakPolarHBondContact CG2-O 3.38Å; K97-S103 CarbonylContact O-C 3.55Å; K97-S103 WeakPolarHBondContact O-CA 3.35Å; E98-S103 WeakPolarHBondContact OE2-CB 3.09Å
104I89.8Confident91.5Very high46 Ų4663.3 Ų63.324%0.23633%0.329CS..EExtended strand (participates in β ladder)trans-94.2131.2172.9-59.8179.6000109T25 W60 K97 T99T25-I104 HydrophobicContact CG2-CG2 3.43Å; T25-I104 VanDerWaalsContact CG2-CG2 3.43Å; W60-I104 HydrophobicContact CH2-CG2 4.38Å; K97-I104 PolarHBondContact N-O 2.81Å; K97-I104 PolarHBondContact O-N 3.16Å; T99-I104 HydrophobicContact CG2-CD1 3.58Å; T99-I104 HydrophobicContact CG2-CG1 3.93Å
105K93.2Very high91.4Very high70 Ų7064.9 Ų64.930%0.30434%0.336SS..EExtended strand (participates in β ladder)trans-123.1142177.5-61.5179.1-174.3175.20112.8T23 S24 T25 Q94 G95 K96T23-K105 PolarHBondContact O-N 3.02Å; S24-K105 CarbonylContact C-O 3.45Å; S24-K105 WeakPolarHBondContact CA-O 3.23Å; S24-K105 WeakPolarHBondContact CB-O 3.31Å; S24-K105 PolarHBondContact OG-O 3.24Å; T25-K105 PolarHBondContact N-O 2.77Å; Q94-K105 HydrophobicContact CG-CB 4.47Å; G95-K105 CarbonylContact O-C 3.59Å; G95-K105 VanDerWaalsContact O-CA 3.31Å; G95-K105 WeakPolarHBondContact O-CA 3.31Å; K96-K105 HydrophobicContact CB-CG 4.37Å; K96-K105 HydrophobicContact CG-CG 4.18Å
106T94.3Very high91.5Very high0 Ų065 Ų650%034%0.336CS..EExtended strand (participates in β ladder)trans-69.4166168.560.40000111.3T25 Y27 I52 W60 Q94 G95T25-T106 WeakPolarHBondContact OG1-CA 3.37Å; Y27-T106 WeakPolarHBondContact O-CB 3.3Å; I52-T106 HydrophobicContact CD1-CG2 4.39Å; I52-T106 HydrophobicContact CG1-CG2 4.43Å; I52-T106 HydrophobicContact CG2-CG2 3.77Å; W60-T106 HydrophobicContact CE3-CG2 4.24Å; W60-T106 HydrophobicContact CH2-CG2 3.98Å; W60-T106 HydrophobicContact CZ2-CG2 4.28Å; W60-T106 HydrophobicContact CZ3-CG2 3.95Å; Q94-T106 VanDerWaalsContact CG-O 3.25Å; Q94-T106 WeakPolarHBondContact CG-O 3.44Å; Q94-T106 PolarHBondContact NE2-O 2.62Å; G95-T106 WeakPolarHBondContact CA-OG1 3.36Å; G95-T106 PolarHBondContact N-OG1 3.39Å; G95-T106 PolarHBondContact O-N 3.24Å; G95-T106 PolarHBondContact O-OG1 2.91Å
107L95.2Very high91.6Very high67 Ų6762.5 Ų62.535%0.35133%0.326SS..EExtended strand (participates in β ladder)trans-66.1137.1162.8-64175.4000109.7Y27 R28 A29Y27-L107 PolarHBondContact O-N 3.38Å; R28-L107 HydrophobicContact CB-CB 4.15Å; R28-L107 HydrophobicContact CG-CB 4.33Å; A29-L107 PolarHBondContact N-O 2.89Å; A29-L107 VanDerWaalsContact N-O 3.09Å
108R95.8Very high91.9Very high101 Ų10160.4 Ų60.438%0.38133%0.329SS..PPolyproline II helixtrans-60.2142.6176.9-162.9171.673160.55.6110.8R28 F65 G67 S92 C93R28-R108 PolarHBondContact NH1-O 3.16Å; F65-R108 HydrophobicContact CD2-CG 4.49Å; G67-R108 PolarHBondContact O-NH1 3.16Å; S92-R108 WeakPolarHBondContact OG-CD 3.48Å; S92-R108 PolarHBondContact OG-NE 3.16Å; C93-R108 WeakPolarHBondContact O-CG 3.29Å
109S97.4Very high92.1Very high5 Ų556 Ų564%0.03532%0.315CS..PPolyproline II helixtrans-60.4159.4177.2780000112.1A29 V31 S92 C93A29-S109 WeakPolarHBondContact O-CA 3.44Å; A29-S109 WeakPolarHBondContact O-CB 3.38Å; V31-S109 WeakPolarHBondContact CG2-OG 3.42Å; S92-S109 VanDerWaalsContact CA-OG 3.26Å; S92-S109 WeakPolarHBondContact CA-OG 3.44Å; S92-S109 VanDerWaalsContact CB-OG 3.32Å; S92-S109 WeakPolarHBondContact CB-OG 3.42Å; C93-S109 PolarHBondContact N-OG 2.79Å; C93-S109 PolarHBondContact O-N 3.46Å
110L95Very high92.7Very high126 Ų12659.6 Ų59.666%0.6633%0.327SS*.PPolyproline II helixtrans-60.6146.5161.6-65.5178.9000109.3
111P96.1Very high93.5Very high78 Ų7851.2 Ų51.251%0.50628%0.282SS..PPolyproline II helixtrans-69.1132.9-179.925.8-32.3000111.6K90 Y91K90-P111 HydrophobicContact CB-CB 3.74Å; K90-P111 HydrophobicContact CD-CB 4.18Å; K90-P111 HydrophobicContact CD-CG 4.45Å; K90-P111 HydrophobicContact CG-CB 4.15Å; Y91-P111 CarbonylContact O-C 3.5Å; Y91-P111 WeakPolarHBondContact O-CA 3.15Å
112Y94.9Very high94.3Very high43 Ų4346.6 Ų46.617%0.16925%0.254CS..EExtended strand (participates in β ladder)trans-102116.4170.4-163.9-98.7000109.5V31 I33 L48 Y91 I114 R128V31-Y112 HydrophobicContact CG1-CD1 4.45Å; V31-Y112 HydrophobicContact CG1-CG 4.04Å; I33-Y112 HydrophobicContact CB-CE1 4.28Å; L48-Y112 HydrophobicContact CD2-CD1 4.02Å; L48-Y112 HydrophobicContact CD2-CE1 4.02Å; Y91-Y112 PolarHBondContact N-O 2.79Å; Y91-Y112 PolarHBondContact O-N 2.85Å; Y112-I114 HydrophobicContact CD1-CD1 3.61Å; Y112-I114 HydrophobicContact CD1-CG1 4.28Å; Y112-I114 HydrophobicContact CE1-CD1 3.59Å; Y112-R128 VanDerWaalsContact CD1-NH2 3.34Å; Y112-R128 VanDerWaalsContact CE2-NE 3.29Å; Y112-R128 PolarHBondContact OH-NE 2.85Å; Y112-R128 VanDerWaalsContact OH-NE 3.09Å; Y112-R128 PolarHBondContact OH-NH2 3.44Å
113E94.3Very high94.9Very high104 Ų10444.9 Ų44.949%0.48624%0.236SC..EExtended strand (participates in β ladder)trans-88.5117.5-172.1-170.6165168.400112.2G89 K90 R128G89-E113 WeakPolarHBondContact O-CA 3.5Å; K90-E113 VanDerWaalsContact CE-OE2 3.29Å; K90-E113 WeakPolarHBondContact CE-OE2 3.38Å; K90-E113 HydrophobicContact CG-CB 4.29Å; K90-E113 HydrophobicContact CG-CG 4.26Å; E113-R128 PolarHBondContact O-NH1 2.7Å; E113-R128 VanDerWaalsContact O-NH1 3.07Å; E113-R128 PolarHBondContact O-NH2 3.35Å
114I95.6Very high95.4Very high1 Ų143.9 Ų43.91%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-104.2135176.3-61.6-55000109.3S38 L46 L48 S88 G89 Y91 Y112 V116S38-I114 WeakPolarHBondContact O-CA 3.45Å; L46-I114 HydrophobicContact CD2-CD1 3.88Å; L46-I114 HydrophobicContact CD2-CG1 4.25Å; L46-I114 HydrophobicContact CD2-CG2 3.68Å; L48-I114 HydrophobicContact CD2-CD1 4.44Å; S88-I114 WeakPolarHBondContact CA-O 3.43Å; G89-I114 PolarHBondContact N-O 3.11Å; G89-I114 PolarHBondContact O-N 3.26Å; Y91-I114 HydrophobicContact CD2-CB 3.93Å; Y91-I114 HydrophobicContact CD2-CG1 3.72Å; Y91-I114 HydrophobicContact CE2-CB 3.89Å; Y91-I114 HydrophobicContact CE2-CG1 4.08Å; Y91-I114 HydrophobicContact CG-CG1 4.49Å; Y112-I114 HydrophobicContact CD1-CD1 3.61Å; Y112-I114 HydrophobicContact CD1-CG1 4.28Å; Y112-I114 HydrophobicContact CE1-CD1 3.59Å; I114-V116 HydrophobicContact CG2-CG2 4.21Å
115H95.4Very high95.5Very high65 Ų6542.8 Ų42.830%0.30122%0.223SC..EExtended strand (participates in β ladder)trans-121.2119.3176.1-170.387.9000110.6S38 R39 I40 D117S38-H115 PolarHBondContact O-N 2.93Å; R39-H115 WeakPolarHBondContact CA-O 3.36Å; R39-H115 HydrophobicContact CG-CB 4.15Å; R39-H115 PolarHBondContact NE-CD2 3.43Å; R39-H115 PolarHBondContact NH2-CD2 2.87Å; R39-H115 VanDerWaalsContact NH2-CD2 3.32Å; R39-H115 PolarHBondContact NH2-NE2 3.12Å; I40-H115 PolarHBondContact N-O 2.82Å; H115-D117 IonicContact NE2-OD2 2.84Å
116V96.9Very high95.3Very high1 Ų143 Ų431%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-104.3113.8177.6-174.70000108.5I40 L80 A83 S88 I114I40-V116 HydrophobicContact CD1-CG2 4.23Å; I40-V116 HydrophobicContact CG1-CG2 4.14Å; I40-V116 CarbonylContact O-C 3.5Å; I40-V116 WeakPolarHBondContact O-CA 3.34Å; L80-V116 HydrophobicContact CD2-CG2 4.21Å; A83-V116 HydrophobicContact CB-CG1 3.84Å; A83-V116 HydrophobicContact CB-CG2 4.02Å; S88-V116 PolarHBondContact OG-N 3.15Å; S88-V116 PolarHBondContact OG-O 3.38Å; I114-V116 HydrophobicContact CG2-CG2 4.21Å
117D96.7Very high94.8Very high13 Ų1348.7 Ų48.77%0.0726%0.262CS..EExtended strand (participates in β ladder)trans-99130.3-174.5-161.5-68.5000111.4I40 F41 S42 H115 G119 I122 R143I40-D117 PolarHBondContact O-N 3.22Å; F41-D117 CarbonylContact C-O 3.55Å; F41-D117 WeakPolarHBondContact CA-O 3.43Å; S42-D117 PolarHBondContact N-O 2.81Å; H115-D117 IonicContact NE2-OD2 2.84Å; D117-G119 VanDerWaalsContact OD1-CA 3.29Å; D117-G119 WeakPolarHBondContact OD1-CA 3.23Å; D117-G119 PolarHBondContact OD1-N 3.21Å; D117-I122 HydrophobicContact CB-CG2 3.37Å; D117-R143 PolarHBondContact O-NH2 2.97Å
118G95.8Very high93.8Very high40 Ų4050.2 Ų50.241%0.41226%0.263SS..  trans-86.3-10.317800000114.5R143G118-R143 PolarHBondContact O-NH1 2.9Å
119G94.6Very high93.1Very high25 Ų2549.2 Ų49.226%0.25827%0.272SS..SBendtrans-82-162.2-174.800000114.4F41 D117 R143F41-G119 WeakPolarHBondContact CE1-O 3.48Å; D117-G119 VanDerWaalsContact OD1-CA 3.29Å; D117-G119 WeakPolarHBondContact OD1-CA 3.23Å; D117-G119 PolarHBondContact OD1-N 3.21Å; G119-R143 PolarHBondContact O-NE 2.89Å; G119-R143 PolarHBondContact O-NH1 3.37Å
120F95.6Very high92.8Very high124 Ų12449.1 Ų49.154%0.54427%0.271SS..SBendtrans-108-14-173-70.8-91.2000114.1L142 R143 V198F120-L142 CarbonylContact O-C 3.43Å; F120-L142 WeakPolarHBondContact O-CA 3.24Å; F120-L142 WeakPolarHBondContact O-CD1 3.35Å; F120-R143 HydrophobicContact CD1-CB 4.26Å; F120-R143 PolarHBondContact O-N 3.5Å; F120-V198 HydrophobicContact CB-CB 4.24Å; F120-V198 HydrophobicContact CB-CG1 4Å; F120-V198 HydrophobicContact CB-CG2 4.03Å
121A97.1Very high92.8Very high2 Ų243.8 Ų43.82%0.01724%0.243CC..EExtended strand (participates in β ladder)trans-136.2140.317400000111.8R141 V187 V198 S200A121-R141 CarbonylContact C-O 3.52Å; A121-R141 WeakPolarHBondContact CA-O 3.42Å; A121-V187 HydrophobicContact CB-CG2 4.42Å; A121-V198 HydrophobicContact CB-CG2 3.72Å; A121-S200 WeakPolarHBondContact O-CA 3.4Å; A121-S200 VanDerWaalsContact O-CB 3.25Å; A121-S200 WeakPolarHBondContact O-CB 3.31Å
122I97.2Very high92.6Very high0 Ų043 Ų430%024%0.237CC..EExtended strand (participates in β ladder)trans-130.1146.9172.759.4-177.3000109.9R39 F41 D117 Q124 C140 R141R39-I122 HydrophobicContact CG-CB 4.37Å; R39-I122 HydrophobicContact CG-CG2 4.47Å; R39-I122 WeakPolarHBondContact O-CD1 3.38Å; F41-I122 HydrophobicContact CD1-CD1 4.4Å; F41-I122 HydrophobicContact CD1-CG2 3.94Å; F41-I122 HydrophobicContact CD2-CD1 4.02Å; F41-I122 HydrophobicContact CE1-CB 4.31Å; F41-I122 HydrophobicContact CE1-CD1 4.35Å; F41-I122 HydrophobicContact CE1-CG1 4.15Å; F41-I122 HydrophobicContact CE1-CG2 3.57Å; F41-I122 HydrophobicContact CE2-CD1 3.96Å; F41-I122 HydrophobicContact CE2-CG1 4Å; F41-I122 HydrophobicContact CG-CD1 4.25Å; F41-I122 HydrophobicContact CZ-CB 4.34Å; F41-I122 HydrophobicContact CZ-CD1 4.13Å; F41-I122 HydrophobicContact CZ-CG1 3.78Å; F41-I122 HydrophobicContact CZ-CG2 4.09Å; D117-I122 HydrophobicContact CB-CG2 3.37Å; I122-Q124 HydrophobicContact CD1-CG 4.3Å; I122-Q124 HydrophobicContact CG1-CG 4.32Å; I122-C140 CarbonylContact O-C 3.56Å; I122-C140 WeakPolarHBondContact O-CA 3.39Å; I122-R141 HydrophobicContact CD1-CB 4.36Å; I122-R141 HydrophobicContact CG1-CB 3.75Å; I122-R141 PolarHBondContact N-O 3.14Å; I122-R141 PolarHBondContact O-N 3.07Å
123L96.9Very high92.5Very high1 Ų142.8 Ų42.81%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-100.9118170.8-172.167.6000109.2R39 L138 C140 L153 Y183 C185R39-L123 WeakPolarHBondContact CD-O 3.4Å; L123-L138 HydrophobicContact CD1-CB 4.06Å; L123-L138 HydrophobicContact CD2-CD2 4.34Å; L123-L138 HydrophobicContact CG-CD2 4.43Å; L123-C140 HydrophobicContact CD1-CB 4.45Å; L123-L153 HydrophobicContact CD1-CD1 4.26Å; L123-L153 HydrophobicContact CD2-CD1 4.26Å; L123-Y183 VanDerWaalsContact CD2-CB 3.48Å; L123-Y183 WeakPolarHBondContact CD2-O 3.28Å; L123-C185 HydrophobicContact CD1-CB 4.12Å
124Q95.6Very high92.4Very high10 Ų1040.3 Ų40.35%0.04724%0.238CC..EExtended strand (participates in β ladder)trans-100.7140.8177.5-61.9-175.9-45.500110.6D37 R39 I122 L138 K139D37-Q124 VanDerWaalsContact CB-NE2 3.3Å; D37-Q124 PolarHBondContact OD2-NE2 3.5Å; D37-Q124 PolarHBondContact OD2-OE1 2.74Å; R39-Q124 PolarHBondContact O-NE2 2.81Å; I122-Q124 HydrophobicContact CD1-CG 4.3Å; I122-Q124 HydrophobicContact CG1-CG 4.32Å; Q124-L138 WeakPolarHBondContact O-CA 3.38Å; Q124-K139 HydrophobicContact CB-CB 4.42Å; Q124-K139 PolarHBondContact N-O 3.17Å; Q124-K139 PolarHBondContact O-N 3.32Å
125L92.6Very high92.3Very high23 Ų2341.9 Ų41.912%0.1225%0.251CS..EExtended strand (participates in β ladder)trans-108.6133.7175.4-79.768.1000108.6K127 L138 T203 V205L125-K127 VanDerWaalsContact C-N 3.3Å; L125-K127 PolarHBondContact O-N 2.89Å; L125-L138 HydrophobicContact CD1-CD2 3.83Å; L125-L138 HydrophobicContact CG-CD2 3.69Å; L125-T203 HydrophobicContact CD1-CG2 3.73Å; L125-V205 HydrophobicContact CD2-CG1 4.39Å; L125-V205 HydrophobicContact CD2-CG2 3.96Å
126A87.9Confident92.3Very high75 Ų7538.9 Ų38.962%0.6224%0.237SC*.SBendtrans-67-33.6173.900000112.5D137A126-D137 HydrophobicContact CB-CB 3.88Å; A126-D137 PolarHBondContact N-O 2.87Å
127K83.8Confident92.2Very high119 Ų11942.3 Ų42.352%0.51726%0.256SS..  trans-131.8137.6179-63.4179.3-175.1172.30110.1L125 V130L125-K127 VanDerWaalsContact C-N 3.3Å; L125-K127 PolarHBondContact O-N 2.89Å; K127-V130 HydrophobicContact CB-CG2 4.46Å
128R75.3Confident92.2Very high98 Ų9841.9 Ų41.937%0.3725%0.253SS..SBendtrans-77.8-32.8179.5-68.8-177.6177.2-98.919.2113.6Y112 E113Y112-R128 VanDerWaalsContact CD1-NH2 3.34Å; Y112-R128 VanDerWaalsContact CE2-NE 3.29Å; Y112-R128 PolarHBondContact OH-NE 2.85Å; Y112-R128 VanDerWaalsContact OH-NE 3.09Å; Y112-R128 PolarHBondContact OH-NH2 3.44Å; E113-R128 PolarHBondContact O-NH1 2.7Å; E113-R128 VanDerWaalsContact O-NH1 3.07Å; E113-R128 PolarHBondContact O-NH2 3.35Å
129S80.7Confident92.2Very high81 Ų8144.7 Ų44.757%0.56625%0.254SS*.SBendtrans-118.3125.4176.9-56.60000107.7
130V92.1Very high92.3Very high2 Ų243.5 Ų43.51%0.01224%0.242CC..EExtended strand (participates in β ladder)trans-119133.2-179.2-174.60000107.6K127 D134 L136 V175 I207 L208K127-V130 HydrophobicContact CB-CG2 4.46Å; V130-D134 HydrophobicContact CG1-CB 3.73Å; V130-L136 HydrophobicContact CG2-CD1 3.96Å; V130-V175 HydrophobicContact CG1-CG2 3.54Å; V130-I207 WeakPolarHBondContact O-CA 3.48Å; V130-L208 PolarHBondContact O-N 3.42Å
131L93Very high92.3Very high15 Ų1540.6 Ų40.68%0.07923%0.227CC..EExtended strand (participates in β ladder)trans-94.4155.3177.8-56177.5000110.3G133 D134 L208 V210 N239 P241L131-G133 PolarHBondContact O-N 3.38Å; L131-D134 WeakPolarHBondContact CB-OD2 3.41Å; L131-D134 PolarHBondContact N-OD2 3.33Å; L131-D134 VanDerWaalsContact O-CB 3.24Å; L131-D134 WeakPolarHBondContact O-CB 3.38Å; L131-D134 PolarHBondContact O-N 2.89Å; L131-L208 CarbonylContact C-O 3.55Å; L131-L208 VanDerWaalsContact CA-O 3.23Å; L131-L208 WeakPolarHBondContact CA-O 3.12Å; L131-L208 HydrophobicContact CD2-CB 3.93Å; L131-V210 HydrophobicContact CB-CG2 4.33Å; L131-V210 HydrophobicContact CD1-CG2 4.15Å; L131-N239 HydrophobicContact CD2-CB 3.83Å; L131-P241 HydrophobicContact CD1-CG 4.3Å
132V93.6Very high92.2Very high60 Ų6041.4 Ų41.436%0.36423%0.231SC..THydrogen-bonded Turntrans-55.3129.6171.8175.60000109.8D134 L177 I207 L208 E209V132-D134 VanDerWaalsContact C-N 3.33Å; V132-L177 HydrophobicContact CG2-CD2 3.75Å; V132-L177 HydrophobicContact CG2-CG 3.9Å; V132-I207 HydrophobicContact CG2-CG2 3.88Å; V132-L208 PolarHBondContact N-O 3.18Å; V132-E209 HydrophobicContact CG2-CG 4.37Å
133G91.4Very high92.1Very high40 Ų4045 Ų4541%0.41225%0.245SC..THydrogen-bonded Turntrans87.3-8.2-176.900000114.9L131 V175L131-G133 PolarHBondContact O-N 3.38Å; G133-V175 PolarHBondContact N-O 3.37Å
134D92.6Very high91.7Very high52 Ų5248.1 Ų48.128%0.27828%0.277SS..SBendtrans-71.1163.4171.9-75-16.7000111.3V130 L131 V132 P173 V175V130-D134 HydrophobicContact CG1-CB 3.73Å; L131-D134 WeakPolarHBondContact CB-OD2 3.41Å; L131-D134 PolarHBondContact N-OD2 3.33Å; L131-D134 VanDerWaalsContact O-CB 3.24Å; L131-D134 WeakPolarHBondContact O-CB 3.38Å; L131-D134 PolarHBondContact O-N 2.89Å; V132-D134 VanDerWaalsContact C-N 3.33Å; D134-P173 CarbonylContact C-O 3.59Å; D134-V175 WeakPolarHBondContact O-CG2 3.42Å; D134-V175 PolarHBondContact O-N 3.23Å
135A94.1Very high91.3Very high33 Ų3355.6 Ų55.627%0.27332%0.318SS..  trans-83133.516500000111.2L172 P173A135-L172 CarbonylContact C-O 3.52Å; A135-L172 VanDerWaalsContact CA-O 3.23Å; A135-L172 WeakPolarHBondContact CA-O 3.26Å; A135-P173 WeakPolarHBondContact CA-O 3.41Å; A135-P173 PolarHBondContact N-O 2.93Å
136L94.8Very high91.3Very high3 Ų355.8 Ų55.82%0.01632%0.322CS..EExtended strand (participates in β ladder)trans-103.3111.3171.2173.668000109.6V130 L138 L172 V175 V205V130-L136 HydrophobicContact CG2-CD1 3.96Å; L136-L138 HydrophobicContact CD1-CD2 3.97Å; L136-L138 HydrophobicContact CD1-CG 4.28Å; L136-L138 HydrophobicContact CD2-CD1 4.13Å; L136-L138 HydrophobicContact CD2-CG 4.33Å; L136-L138 HydrophobicContact CG-CD1 4.33Å; L136-L138 HydrophobicContact CG-CD2 4.24Å; L136-L138 HydrophobicContact CG-CG 4.01Å; L136-L172 HydrophobicContact CB-CB 4.26Å; L136-L172 PolarHBondContact N-O 3.16Å; L136-L172 PolarHBondContact O-N 3.06Å; L136-V175 HydrophobicContact CB-CG1 3.49Å; L136-V175 VanDerWaalsContact CB-CG1 3.49Å; L136-V175 HydrophobicContact CD2-CG1 4.34Å; L136-V205 HydrophobicContact CD1-CG1 3.99Å; L136-V205 HydrophobicContact CD2-CG1 4.04Å
137D95.1Very high91.5Very high73 Ų7356.6 Ų56.639%0.3932%0.321SS..EExtended strand (participates in β ladder)trans-100.9119.2175.1-68-53000110.6A126 H171A126-D137 HydrophobicContact CB-CB 3.88Å; A126-D137 PolarHBondContact N-O 2.87Å; D137-H171 IonicContact OD1-CE1 3.92Å; D137-H171 IonicContact OD1-CG 3.81Å; D137-H171 IonicContact OD1-ND1 3.57Å; D137-H171 PolarHBondContact OD1-ND1 3.47Å
138L96.1Very high92Very high3 Ų351.7 Ų51.72%0.01630%0.301CS..EExtended strand (participates in β ladder)trans-118.4132.4179.1-60.7170.4000109.7L123 Q124 L125 L136 L153 N169 F170 Y183L123-L138 HydrophobicContact CD1-CB 4.06Å; L123-L138 HydrophobicContact CD2-CD2 4.34Å; L123-L138 HydrophobicContact CG-CD2 4.43Å; Q124-L138 WeakPolarHBondContact O-CA 3.38Å; L125-L138 HydrophobicContact CD1-CD2 3.83Å; L125-L138 HydrophobicContact CG-CD2 3.69Å; L136-L138 HydrophobicContact CD1-CD2 3.97Å; L136-L138 HydrophobicContact CD1-CG 4.28Å; L136-L138 HydrophobicContact CD2-CD1 4.13Å; L136-L138 HydrophobicContact CD2-CG 4.33Å; L136-L138 HydrophobicContact CG-CD1 4.33Å; L136-L138 HydrophobicContact CG-CD2 4.24Å; L136-L138 HydrophobicContact CG-CG 4.01Å; L138-L153 HydrophobicContact CD1-CD1 3.94Å; L138-L153 HydrophobicContact CD1-CD2 3.73Å; L138-L153 HydrophobicContact CD1-CG 4.48Å; L138-N169 CarbonylContact O-C 3.58Å; L138-N169 WeakPolarHBondContact O-CA 3.37Å; L138-F170 HydrophobicContact CB-CB 4.23Å; L138-F170 PolarHBondContact N-O 2.79Å; L138-F170 PolarHBondContact O-N 2.87Å; L138-Y183 HydrophobicContact CD1-CD1 3.83Å; L138-Y183 HydrophobicContact CD1-CE1 4.24Å; L138-Y183 HydrophobicContact CD1-CG 4.34Å
139K96.3Very high92.9Very high99 Ų9950.1 Ų50.143%0.4330%0.298SS..EExtended strand (participates in β ladder)trans-120.7114.8175.9-178.9174.3-177.8-179.20109.8Q124 R141 N169Q124-K139 HydrophobicContact CB-CB 4.42Å; Q124-K139 PolarHBondContact N-O 3.17Å; Q124-K139 PolarHBondContact O-N 3.32Å; K139-R141 HydrophobicContact CG-CG 4.46Å; K139-N169 WeakPolarHBondContact CG-OD1 3.25Å
140C96.6Very high93.7Very high0 Ų049.2 Ų49.20%029%0.285CS..EExtended strand (participates in β ladder)trans-78.8124.1169.4-164.60000108.6I122 L123 T151 L168 F170 C185 V187I122-C140 CarbonylContact O-C 3.56Å; I122-C140 WeakPolarHBondContact O-CA 3.39Å; L123-C140 HydrophobicContact CD1-CB 4.45Å; C140-T151 HydrophobicContact CB-CG2 4.02Å; C140-L168 HydrophobicContact CB-CD2 4.33Å; C140-L168 PolarHBondContact N-O 2.81Å; C140-L168 VanDerWaalsContact O-CB 3.29Å; C140-L168 WeakPolarHBondContact O-CB 3.15Å; C140-F170 HydrophobicContact CB-CE2 4.36Å; C140-C185 HydrophobicContact CB-CB 3.66Å; C140-C185 WeakPolarHBondContact CB-SG 3.23Å; C140-C185 WeakPolarHBondContact SG-CB 3.5Å; C140-C185 CovalentContact SG-SG 2.03Å; C140-C185 PolarHBondContact SG-SG 2.89Å; C140-V187 HydrophobicContact CB-CG2 4.47Å; C140-V187 WeakPolarHBondContact SG-CG2 3.32Å
141R96Very high93.9Very high63 Ų6349.1 Ų49.124%0.23828%0.284CS..EExtended strand (participates in β ladder)trans-108.5128.9174.4-92.8179.561.3160.3-5.8109.8F41 E44 A121 I122 K139F41-R141 HydrophobicContact CE2-CB 4.28Å; F41-R141 WeakPolarHBondContact CZ-O 3.3Å; E44-R141 VanDerWaalsContact CD-NH2 3.26Å; E44-R141 IonicContact OE1-CZ 3.76Å; E44-R141 IonicContact OE1-NH1 2.73Å; E44-R141 IonicContact OE1-NH2 3.81Å; E44-R141 PolarHBondContact OE1-NH2 2.85Å; E44-R141 IonicContact OE2-CZ 3.81Å; E44-R141 IonicContact OE2-NH2 2.68Å; E44-R141 PolarHBondContact OE2-NH2 3.49Å; A121-R141 CarbonylContact C-O 3.52Å; A121-R141 WeakPolarHBondContact CA-O 3.42Å; I122-R141 HydrophobicContact CD1-CB 4.36Å; I122-R141 HydrophobicContact CG1-CB 3.75Å; I122-R141 PolarHBondContact N-O 3.14Å; I122-R141 PolarHBondContact O-N 3.07Å; K139-R141 HydrophobicContact CG-CG 4.46Å
142L95.6Very high94.2Very high20 Ų2048.9 Ų48.911%0.10528%0.283CS..EExtended strand (participates in β ladder)trans-94.5141.5169.5-172.870000109.4F120 A146 V148 V187 W189 V198F120-L142 CarbonylContact O-C 3.43Å; F120-L142 WeakPolarHBondContact O-CA 3.24Å; F120-L142 WeakPolarHBondContact O-CD1 3.35Å; L142-A146 HydrophobicContact CD2-CB 3.81Å; L142-V148 HydrophobicContact CD2-CG2 3.87Å; L142-V187 HydrophobicContact CB-CG1 4.4Å; L142-V187 HydrophobicContact CD1-CB 4.17Å; L142-V187 HydrophobicContact CD1-CG1 4.22Å; L142-V187 HydrophobicContact CD2-CG1 4.1Å; L142-V187 HydrophobicContact CG-CG1 4.49Å; L142-W189 HydrophobicContact CD1-CE3 4.31Å; L142-W189 HydrophobicContact CD1-CH2 4.08Å; L142-W189 HydrophobicContact CD1-CZ3 3.7Å; L142-W189 HydrophobicContact CD2-CD2 4.43Å; L142-W189 HydrophobicContact CD2-CE3 4.04Å; L142-W189 HydrophobicContact CD2-CZ3 4.21Å; L142-V198 HydrophobicContact CD1-CG2 3.57Å
143R94.3Very high94.4Very high75 Ų7546 Ų4628%0.28327%0.266SS..SBendtrans-74.4129.9172-177.3177.1-86.9169.7-7.6109.5F41 S42 D117 G118 G119 F120F41-R143 HydrophobicContact CD2-CB 4.45Å; F41-R143 HydrophobicContact CE1-CB 4.25Å; F41-R143 HydrophobicContact CE2-CB 4.02Å; F41-R143 HydrophobicContact CZ-CB 3.92Å; S42-R143 PolarHBondContact O-NH2 3.45Å; S42-R143 PolarHBondContact OG-NH2 2.66Å; D117-R143 PolarHBondContact O-NH2 2.97Å; G118-R143 PolarHBondContact O-NH1 2.9Å; G119-R143 PolarHBondContact O-NE 2.89Å; G119-R143 PolarHBondContact O-NH1 3.37Å; F120-R143 HydrophobicContact CD1-CB 4.26Å; F120-R143 PolarHBondContact O-N 3.5Å
144G89Confident94.8Very high67 Ų6745.3 Ų45.369%0.69125%0.251SS*.SBendtrans82.6-164-174.800000112.6
145N87.4Confident95Very high167 Ų16745.9 Ų45.989%0.89325%0.249SC*.  trans-129.359.1-174.3-166.423.3000111.8
146A91.3Very high95.2Very high26 Ų2648.8 Ų48.822%0.21526%0.26CS..  trans-79.8147.8177.900000111.5L142 V148 W189L142-A146 HydrophobicContact CD2-CB 3.81Å; A146-V148 PolarHBondContact O-N 3.01Å; A146-W189 HydrophobicContact CB-CB 4.27Å; A146-W189 HydrophobicContact CB-CD2 4.03Å; A146-W189 HydrophobicContact CB-CG 3.72Å
147P92.1Very high95.2Very high93 Ų9351.5 Ų51.560%0.60429%0.289SS*.  trans-75.985.717931.6-34.6000110.9H149 W189P147-H149 PolarHBondContact O-N 3.46Å; P147-W189 WeakPolarHBondContact O-CB 3.18Å
148V95.3Very high95.3Very high16 Ų1653.8 Ų53.810%0.09730%0.3CS..EExtended strand (participates in β ladder)trans-61.6132.7178179.70000110.5L142 A146 G165 S166 L168 V187L142-V148 HydrophobicContact CD2-CG2 3.87Å; A146-V148 PolarHBondContact O-N 3.01Å; V148-G165 CarbonylContact O-C 3.49Å; V148-S166 WeakPolarHBondContact O-CA 3.48Å; V148-L168 HydrophobicContact CG1-CD2 4.45Å; V148-L168 HydrophobicContact CG2-CD2 4.47Å; V148-V187 HydrophobicContact CB-CG1 4.21Å; V148-V187 HydrophobicContact CG1-CG1 3.62Å; V148-V187 HydrophobicContact CG2-CG1 3.47Å; V148-V187 VanDerWaalsContact CG2-CG1 3.47Å
149H94.8Very high95.4Very high64 Ų6458.6 Ų58.630%0.29632%0.322SS..EExtended strand (participates in β ladder)trans-112.6-15.4173.469.1-113.2000112.9P147 G165 S188 D190P147-H149 PolarHBondContact O-N 3.46Å; H149-G165 CarbonylContact C-O 3.56Å; H149-G165 WeakPolarHBondContact CA-O 3.39Å; H149-G165 WeakPolarHBondContact O-CA 3.34Å; H149-G165 PolarHBondContact O-N 3.45Å; H149-S188 PolarHBondContact N-O 3.03Å; H149-D190 VanDerWaalsContact CE1-CG 3.49Å; H149-D190 IonicContact CE1-OD1 3.38Å; H149-D190 PolarHBondContact CE1-OD1 2.95Å; H149-D190 IonicContact CE1-OD2 3.2Å; H149-D190 PolarHBondContact CE1-OD2 2.84Å; H149-D190 IonicContact CG-OD2 3.66Å; H149-D190 IonicContact ND1-OD1 2.78Å; H149-D190 IonicContact ND1-OD2 2.69Å; H149-D190 PolarHBondContact ND1-OD2 2.78Å
150Q96.1Very high95.4Very high63 Ų6356.6 Ų56.629%0.29432%0.318SS..EExtended strand (participates in β ladder)trans-154.5139.8178-177.7-17953.100111.9I152 V162 Q163 G165 S188Q150-I152 HydrophobicContact CG-CG1 4.09Å; Q150-V162 HydrophobicContact CG-CG1 4.23Å; Q150-Q163 WeakPolarHBondContact CA-O 3.36Å; Q150-G165 PolarHBondContact N-O 3.27Å; Q150-S188 PolarHBondContact N-O 2.92Å; Q150-S188 PolarHBondContact O-N 2.68Å
151T97.7Very high95.4Very high0 Ų059.1 Ų59.10%033%0.331CS..EExtended strand (participates in β ladder)trans-131131.8170.3-45.10000110C140 Q163 S167 L168 F170 R186 V187C140-T151 HydrophobicContact CB-CG2 4.02Å; T151-Q163 PolarHBondContact N-O 3.12Å; T151-Q163 PolarHBondContact O-N 2.96Å; T151-S167 WeakPolarHBondContact CB-O 3.44Å; T151-S167 PolarHBondContact OG1-O 2.99Å; T151-L168 HydrophobicContact CG2-CD2 4.17Å; T151-F170 HydrophobicContact CG2-CE2 3.76Å; T151-F170 HydrophobicContact CG2-CZ 3.63Å; T151-R186 CarbonylContact C-O 3.52Å; T151-R186 VanDerWaalsContact CA-O 3.31Å; T151-R186 WeakPolarHBondContact CA-O 3.43Å; T151-V187 HydrophobicContact CG2-CG2 4.16Å
152I98.1Very high95.5Very high10 Ų1058.9 Ų58.95%0.05134%0.336CS..EExtended strand (participates in β ladder)trans-119.3133.6-179-53.3177.3000109.1Q150 Y154 Q159 V162 C185 R186Q150-I152 HydrophobicContact CG-CG1 4.09Å; I152-Y154 HydrophobicContact CB-CE2 3.78Å; I152-Y154 HydrophobicContact CG2-CD2 4.06Å; I152-Y154 HydrophobicContact CG2-CE1 4.41Å; I152-Y154 HydrophobicContact CG2-CE2 3.44Å; I152-Y154 VanDerWaalsContact CG2-CE2 3.44Å; I152-Q159 HydrophobicContact CG2-CB 4.34Å; I152-Q159 HydrophobicContact CG2-CG 3.59Å; I152-V162 HydrophobicContact CG1-CG1 4.38Å; I152-V162 HydrophobicContact CG1-CG2 4.35Å; I152-V162 HydrophobicContact CG2-CG2 4.29Å; I152-C185 CarbonylContact O-C 3.54Å; I152-C185 WeakPolarHBondContact O-CA 3.17Å; I152-R186 HydrophobicContact CB-CB 4.39Å; I152-R186 PolarHBondContact N-O 2.84Å; I152-R186 PolarHBondContact O-N 2.82Å
153L98.4Very high95.5Very high0 Ų060.3 Ų60.30%034%0.342CS..EExtended strand (participates in β ladder)trans-100.2133.3172.1-172.669.9000110L123 L138 V160 M161 F170 L172 Y183L123-L153 HydrophobicContact CD1-CD1 4.26Å; L123-L153 HydrophobicContact CD2-CD1 4.26Å; L138-L153 HydrophobicContact CD1-CD1 3.94Å; L138-L153 HydrophobicContact CD1-CD2 3.73Å; L138-L153 HydrophobicContact CD1-CG 4.48Å; L153-V160 HydrophobicContact CB-CG2 4.08Å; L153-V160 HydrophobicContact CD2-CG2 3.84Å; L153-V160 HydrophobicContact CG-CG2 3.8Å; L153-V160 WeakPolarHBondContact O-CG2 3.21Å; L153-V160 PolarHBondContact O-N 2.81Å; L153-M161 HydrophobicContact CB-CB 4.14Å; L153-M161 HydrophobicContact CD2-SD 4.21Å; L153-M161 PolarHBondContact N-O 2.82Å; L153-M161 PolarHBondContact O-N 2.87Å; L153-F170 HydrophobicContact CB-CD1 3.74Å; L153-F170 HydrophobicContact CB-CD2 4.25Å; L153-F170 HydrophobicContact CB-CE1 3.55Å; L153-F170 HydrophobicContact CB-CE2 4.1Å; L153-F170 HydrophobicContact CB-CG 4.09Å; L153-F170 HydrophobicContact CB-CZ 3.75Å; L153-F170 HydrophobicContact CD1-CD2 4.19Å; L153-F170 HydrophobicContact CD1-CE2 4.37Å; L153-F170 HydrophobicContact CD1-CG 4.49Å; L153-F170 HydrophobicContact CD2-CB 4.01Å; L153-F170 HydrophobicContact CD2-CD1 4.13Å; L153-F170 HydrophobicContact CD2-CD2 4.47Å; L153-F170 HydrophobicContact CD2-CG 3.96Å; L153-F170 HydrophobicContact CG-CD1 4.49Å; L153-F170 HydrophobicContact CG-CG 4.42Å; L153-L172 HydrophobicContact CD2-CD1 4.44Å; L153-Y183 HydrophobicContact CD1-CD1 4.06Å; L153-Y183 HydrophobicContact CD2-CD1 3.94Å; L153-Y183 HydrophobicContact CD2-CE1 4.13Å; L153-Y183 HydrophobicContact CG-CD1 4.01Å
154Y98.4Very high95.3Very high25 Ų2561.5 Ų61.510%0.09836%0.362CS..EExtended strand (participates in β ladder)trans-116.7141.3175.6-63.5-97.5000110.1I152 G157 I158 Q159 Y183 S184 R186I152-Y154 HydrophobicContact CB-CE2 3.78Å; I152-Y154 HydrophobicContact CG2-CD2 4.06Å; I152-Y154 HydrophobicContact CG2-CE1 4.41Å; I152-Y154 HydrophobicContact CG2-CE2 3.44Å; I152-Y154 VanDerWaalsContact CG2-CE2 3.44Å; Y154-G157 WeakPolarHBondContact CD1-O 3.29Å; Y154-I158 CarbonylContact C-O 3.45Å; Y154-I158 WeakPolarHBondContact CA-O 3.19Å; Y154-Q159 HydrophobicContact CD1-CB 4.16Å; Y154-Q159 HydrophobicContact CE1-CB 3.97Å; Y154-Y183 CarbonylContact O-C 3.05Å; Y154-Y183 WeakPolarHBondContact O-CA 3.08Å; Y154-S184 PolarHBondContact N-O 2.69Å; Y154-S184 PolarHBondContact O-N 2.89Å; Y154-R186 HydrophobicContact CE2-CB 3.79Å; Y154-R186 PolarHBondContact OH-NH1 2.85Å
155R97.8Very high95.3Very high63 Ų6359.9 Ų59.924%0.23835%0.346CS..EExtended strand (participates in β ladder)trans-119.3119.8167.4-177.3174.576.5-161.414.4108.2G157 I158 V160 E178 D179 Y183R155-G157 PolarHBondContact O-N 3.09Å; R155-G157 VanDerWaalsContact O-N 3.12Å; R155-I158 PolarHBondContact N-O 3.35Å; R155-I158 WeakPolarHBondContact O-CB 3.27Å; R155-I158 PolarHBondContact O-N 3.34Å; R155-V160 HydrophobicContact CB-CG1 3.63Å; R155-V160 HydrophobicContact CB-CG2 4.25Å; R155-E178 PolarHBondContact NH2-O 2.96Å; R155-D179 IonicContact CZ-OD1 3.74Å; R155-D179 IonicContact NH1-OD1 3.65Å; R155-D179 PolarHBondContact NH1-OD1 2.78Å; R155-Y183 HydrophobicContact CB-CD1 4.28Å; R155-Y183 HydrophobicContact CB-CE1 4.01Å; R155-Y183 VanDerWaalsContact CD-OH 3.26Å; R155-Y183 WeakPolarHBondContact CD-OH 3.39Å; R155-Y183 HydrophobicContact CG-CD2 4.41Å; R155-Y183 HydrophobicContact CG-CE1 4.23Å; R155-Y183 HydrophobicContact CG-CE2 3.95Å
156D97.4Very high95.5Very high94 Ų9456.6 Ų56.650%0.50334%0.335SS..THydrogen-bonded Turntrans52.336.2-178.2-55.6-49.7000113.3I158 R182D156-I158 VanDerWaalsContact C-N 3.28Å; D156-I158 PolarHBondContact O-N 2.75Å; D156-R182 PolarHBondContact N-O 2.94Å; D156-R182 WeakPolarHBondContact OD1-CB 3.5Å; D156-R182 PolarHBondContact OD1-N 2.87Å
157G96.2Very high95.7Very high61 Ų6157.2 Ų57.263%0.62934%0.338SS*.THydrogen-bonded Turntrans83-5.7-178.600000115Y154 R155Y154-G157 WeakPolarHBondContact CD1-O 3.29Å; R155-G157 PolarHBondContact O-N 3.09Å; R155-G157 VanDerWaalsContact O-N 3.12Å
158I97.3Very high95.9Very high121 Ų12154.6 Ų54.662%0.62132%0.319SS*.EExtended strand (participates in β ladder)trans-94.2131.8177.5-55.7177.5000109.4Y154 R155 D156 V160Y154-I158 CarbonylContact C-O 3.45Å; Y154-I158 WeakPolarHBondContact CA-O 3.19Å; R155-I158 PolarHBondContact N-O 3.35Å; R155-I158 WeakPolarHBondContact O-CB 3.27Å; R155-I158 PolarHBondContact O-N 3.34Å; D156-I158 VanDerWaalsContact C-N 3.28Å; D156-I158 PolarHBondContact O-N 2.75Å; I158-V160 PolarHBondContact O-N 3.04Å
159Q97.4Very high95.9Very high104 Ų10458.1 Ų58.149%0.48634%0.337SS..EExtended strand (participates in β ladder)trans-65.9122.9174.7174.3176.2-49.100110.4I152 Y154 V162I152-Q159 HydrophobicContact CG2-CB 4.34Å; I152-Q159 HydrophobicContact CG2-CG 3.59Å; Y154-Q159 HydrophobicContact CD1-CB 4.16Å; Y154-Q159 HydrophobicContact CE1-CB 3.97Å; Q159-V162 HydrophobicContact CG-CG2 4.23Å
160V97Very high96Very high56 Ų5655.1 Ų55.134%0.33932%0.324SS..EExtended strand (participates in β ladder)trans-112.1-30.8-179.2-68.20000113.2L153 R155 I158 Y183L153-V160 HydrophobicContact CB-CG2 4.08Å; L153-V160 HydrophobicContact CD2-CG2 3.84Å; L153-V160 HydrophobicContact CG-CG2 3.8Å; L153-V160 WeakPolarHBondContact O-CG2 3.21Å; L153-V160 PolarHBondContact O-N 2.81Å; R155-V160 HydrophobicContact CB-CG1 3.63Å; R155-V160 HydrophobicContact CB-CG2 4.25Å; I158-V160 PolarHBondContact O-N 3.04Å; V160-Y183 HydrophobicContact CG2-CE1 4.5Å
161M96.8Very high96Very high53 Ų5357 Ų5726%0.26133%0.332SS..EExtended strand (participates in β ladder)trans-147.4150.2179.1-62.7179.171.700111.4L153 F170 L172L153-M161 HydrophobicContact CB-CB 4.14Å; L153-M161 HydrophobicContact CD2-SD 4.21Å; L153-M161 PolarHBondContact N-O 2.82Å; L153-M161 PolarHBondContact O-N 2.87Å; M161-F170 HydrophobicContact CB-CD1 3.8Å; M161-F170 HydrophobicContact CB-CE1 4.02Å; M161-F170 HydrophobicContact CE-CD1 4.25Å; M161-F170 HydrophobicContact SD-CB 4.26Å; M161-F170 HydrophobicContact SD-CD1 4.15Å; M161-L172 HydrophobicContact SD-CD1 3.63Å; M161-L172 HydrophobicContact SD-CG 4.17Å
162V97.4Very high95.9Very high58 Ų5858.2 Ų58.235%0.35234%0.338SS..EExtended strand (participates in β ladder)trans-128.5132.5173.5-177.60000108.9Q150 I152 Q159Q150-V162 HydrophobicContact CG-CG1 4.23Å; I152-V162 HydrophobicContact CG1-CG1 4.38Å; I152-V162 HydrophobicContact CG1-CG2 4.35Å; I152-V162 HydrophobicContact CG2-CG2 4.29Å; Q159-V162 HydrophobicContact CG-CG2 4.23Å
163Q96Very high95.7Very high50 Ų5060.9 Ų60.923%0.23436%0.357CS..EExtended strand (participates in β ladder)trans-109.9122.9170.2-66.1-66-15.800108.2Q150 T151 N169 F170Q150-Q163 WeakPolarHBondContact CA-O 3.36Å; T151-Q163 PolarHBondContact N-O 3.12Å; T151-Q163 PolarHBondContact O-N 2.96Å; Q163-N169 PolarHBondContact NE2-O 3.26Å; Q163-F170 HydrophobicContact CB-CE1 4.32Å; Q163-F170 HydrophobicContact CG-CD1 3.81Å; Q163-F170 HydrophobicContact CG-CE1 3.44Å; Q163-F170 VanDerWaalsContact CG-CE1 3.44Å; Q163-F170 HydrophobicContact CG-CZ 3.97Å
164S90.1Very high95.5Very high100 Ų10067.9 Ų67.970%0.69939%0.389SS*.EExtended strand (participates in β ladder)trans-90.9147.8172.7-60.70000110.1
165G89.4Confident95.3Very high34 Ų3466.8 Ų66.835%0.35139%0.385SS..THydrogen-bonded Turntrans81.3-149.4-176.100000112.7V148 H149 Q150 S167V148-G165 CarbonylContact O-C 3.49Å; H149-G165 CarbonylContact C-O 3.56Å; H149-G165 WeakPolarHBondContact CA-O 3.39Å; H149-G165 WeakPolarHBondContact O-CA 3.34Å; H149-G165 PolarHBondContact O-N 3.45Å; Q150-G165 PolarHBondContact N-O 3.27Å; G165-S167 VanDerWaalsContact C-N 3.34Å; G165-S167 PolarHBondContact O-N 2.86Å
166S91.8Very high95.2Very high97 Ų9766.8 Ų66.868%0.67839%0.392SS*.THydrogen-bonded Turntrans-88.74.6-173.157.10000114.4V148 L168V148-S166 WeakPolarHBondContact O-CA 3.48Å; S166-L168 PolarHBondContact O-N 2.83Å
167S94.6Very high95Very high39 Ų3966.4 Ų66.427%0.27339%0.389SS..  trans-69.6130.2-178.8-176.60000111.3T151 G165T151-S167 WeakPolarHBondContact CB-O 3.44Å; T151-S167 PolarHBondContact OG1-O 2.99Å; G165-S167 VanDerWaalsContact C-N 3.34Å; G165-S167 PolarHBondContact O-N 2.86Å
168L95.5Very high94.9Very high39 Ų3971.3 Ų71.320%0.20440%0.396CS..  trans-115.7-0.7-178.8-77.4176.4000112.5C140 V148 T151 S166 V187C140-L168 HydrophobicContact CB-CD2 4.33Å; C140-L168 PolarHBondContact N-O 2.81Å; C140-L168 VanDerWaalsContact O-CB 3.29Å; C140-L168 WeakPolarHBondContact O-CB 3.15Å; V148-L168 HydrophobicContact CG1-CD2 4.45Å; V148-L168 HydrophobicContact CG2-CD2 4.47Å; T151-L168 HydrophobicContact CG2-CD2 4.17Å; S166-L168 PolarHBondContact O-N 2.83Å; L168-V187 HydrophobicContact CD2-CG1 4.05Å; L168-V187 HydrophobicContact CD2-CG2 4.12Å
169N96.4Very high94.8Very high89 Ų8966.9 Ų66.948%0.47637%0.373SS..EExtended strand (participates in β ladder)trans-105.1141.9-175.6-52.7-68.1000110.3L138 K139 Q163L138-N169 CarbonylContact O-C 3.58Å; L138-N169 WeakPolarHBondContact O-CA 3.37Å; K139-N169 WeakPolarHBondContact CG-OD1 3.25Å; Q163-N169 PolarHBondContact NE2-O 3.26Å
170F96.7Very high94.7Very high2 Ų266.2 Ų66.21%0.00937%0.37CS..EExtended strand (participates in β ladder)trans-124.8134.4172.7-56.4-91.2000108.6L138 C140 T151 L153 M161 Q163L138-F170 HydrophobicContact CB-CB 4.23Å; L138-F170 PolarHBondContact N-O 2.79Å; L138-F170 PolarHBondContact O-N 2.87Å; C140-F170 HydrophobicContact CB-CE2 4.36Å; T151-F170 HydrophobicContact CG2-CE2 3.76Å; T151-F170 HydrophobicContact CG2-CZ 3.63Å; L153-F170 HydrophobicContact CB-CD1 3.74Å; L153-F170 HydrophobicContact CB-CD2 4.25Å; L153-F170 HydrophobicContact CB-CE1 3.55Å; L153-F170 HydrophobicContact CB-CE2 4.1Å; L153-F170 HydrophobicContact CB-CG 4.09Å; L153-F170 HydrophobicContact CB-CZ 3.75Å; L153-F170 HydrophobicContact CD1-CD2 4.19Å; L153-F170 HydrophobicContact CD1-CE2 4.37Å; L153-F170 HydrophobicContact CD1-CG 4.49Å; L153-F170 HydrophobicContact CD2-CB 4.01Å; L153-F170 HydrophobicContact CD2-CD1 4.13Å; L153-F170 HydrophobicContact CD2-CD2 4.47Å; L153-F170 HydrophobicContact CD2-CG 3.96Å; L153-F170 HydrophobicContact CG-CD1 4.49Å; L153-F170 HydrophobicContact CG-CG 4.42Å; M161-F170 HydrophobicContact CB-CD1 3.8Å; M161-F170 HydrophobicContact CB-CE1 4.02Å; M161-F170 HydrophobicContact CE-CD1 4.25Å; M161-F170 HydrophobicContact SD-CB 4.26Å; M161-F170 HydrophobicContact SD-CD1 4.15Å; Q163-F170 HydrophobicContact CB-CE1 4.32Å; Q163-F170 HydrophobicContact CG-CD1 3.81Å; Q163-F170 HydrophobicContact CG-CE1 3.44Å; Q163-F170 VanDerWaalsContact CG-CE1 3.44Å; Q163-F170 HydrophobicContact CG-CZ 3.97Å
171H95.4Very high94.6Very high101 Ų10163.9 Ų63.947%0.46836%0.358SS..EExtended strand (participates in β ladder)trans-126.8119.1-177.5179.572.8000109.1D137D137-H171 IonicContact OD1-CE1 3.92Å; D137-H171 IonicContact OD1-CG 3.81Å; D137-H171 IonicContact OD1-ND1 3.57Å; D137-H171 PolarHBondContact OD1-ND1 3.47Å
172L95.2Very high94.6Very high26 Ų2667.8 Ų67.814%0.13637%0.37CS..EExtended strand (participates in β ladder)trans-112.5105.7173-70.475.8000107.1A135 L136 L153 M161 H174 V175A135-L172 CarbonylContact C-O 3.52Å; A135-L172 VanDerWaalsContact CA-O 3.23Å; A135-L172 WeakPolarHBondContact CA-O 3.26Å; L136-L172 HydrophobicContact CB-CB 4.26Å; L136-L172 PolarHBondContact N-O 3.16Å; L136-L172 PolarHBondContact O-N 3.06Å; L153-L172 HydrophobicContact CD2-CD1 4.44Å; M161-L172 HydrophobicContact SD-CD1 3.63Å; M161-L172 HydrophobicContact SD-CG 4.17Å; L172-H174 PolarHBondContact O-N 3.04Å; L172-V175 HydrophobicContact CB-CG1 3.95Å
173P94.1Very high94.6Very high67 Ų6765 Ų6544%0.43535%0.353SS..SBendtrans-73.4-28.4-166.326.1-34.7000114.5D134 A135D134-P173 CarbonylContact C-O 3.59Å; A135-P173 WeakPolarHBondContact CA-O 3.41Å; A135-P173 PolarHBondContact N-O 2.93Å
174H94.4Very high94.7Very high147 Ų14763 Ų6368%0.68134%0.344SS*.SBendtrans-139.295.6-177.2-57101.5000109.3L172L172-H174 PolarHBondContact O-N 3.04Å
175V95.3Very high95Very high2 Ų258.2 Ų58.21%0.01231%0.311CS..  trans-87149-179.1-57.50000112.9V130 G133 D134 L136 L172 D179 I207V130-V175 HydrophobicContact CG1-CG2 3.54Å; G133-V175 PolarHBondContact N-O 3.37Å; D134-V175 WeakPolarHBondContact O-CG2 3.42Å; D134-V175 PolarHBondContact O-N 3.23Å; L136-V175 HydrophobicContact CB-CG1 3.49Å; L136-V175 VanDerWaalsContact CB-CG1 3.49Å; L136-V175 HydrophobicContact CD2-CG1 4.34Å; L172-V175 HydrophobicContact CB-CG1 3.95Å; V175-D179 HydrophobicContact CB-CB 4.34Å; V175-I207 HydrophobicContact CB-CD1 3.87Å; V175-I207 HydrophobicContact CG2-CD1 3.88Å; V175-I207 HydrophobicContact CG2-CG1 4.32Å; V175-I207 HydrophobicContact CG2-CG2 4.09Å
176T95.3Very high95.4Very high62 Ų6261.1 Ų61.138%0.3831%0.311SS..  trans-118.9172.2177.767.80000110.8E178 D179 I207T176-E178 PolarHBondContact O-N 3.09Å; T176-E178 PolarHBondContact OG1-N 3.07Å; T176-D179 PolarHBondContact N-OD2 2.97Å; T176-D179 WeakPolarHBondContact O-CB 3.32Å; T176-D179 PolarHBondContact O-N 3.24Å; T176-D179 PolarHBondContact OG1-OD2 2.95Å; T176-I207 WeakPolarHBondContact O-CD1 3.15Å
177L93.4Very high95.7Very high86 Ų8656.5 Ų56.545%0.4528%0.279SS..G310 helixtrans-62.2-23174.4-64.5176.1000112.8V132 D179 E180 I207 E209V132-L177 HydrophobicContact CG2-CD2 3.75Å; V132-L177 HydrophobicContact CG2-CG 3.9Å; L177-D179 PolarHBondContact O-N 3.2Å; L177-E180 WeakPolarHBondContact O-CB 3.37Å; L177-E180 PolarHBondContact O-N 2.82Å; L177-I207 HydrophobicContact CD2-CG2 4.31Å; L177-I207 WeakPolarHBondContact CD2-O 3.27Å; L177-E209 HydrophobicContact CD1-CG 4.15Å; L177-E209 HydrophobicContact CD2-CG 4.32Å
178E93.6Very high95.8Very high164 Ų16455 Ų5577%0.76627%0.269SS*.G310 helixtrans-74.2-13.5176-59.8-179-177.400112.7R155 T176 E180R155-E178 PolarHBondContact NH2-O 2.96Å; T176-E178 PolarHBondContact O-N 3.09Å; T176-E178 PolarHBondContact OG1-N 3.07Å; E178-E180 VanDerWaalsContact C-N 3.31Å
179D94.9Very high95.8Very high28 Ų2854.7 Ų54.715%0.1527%0.265CS..G310 helixtrans-87.9-0.9175.4-57.7-56.4000113R155 V175 T176 L177 Y183 I207R155-D179 IonicContact CZ-OD1 3.74Å; R155-D179 IonicContact NH1-OD1 3.65Å; R155-D179 PolarHBondContact NH1-OD1 2.78Å; V175-D179 HydrophobicContact CB-CB 4.34Å; T176-D179 PolarHBondContact N-OD2 2.97Å; T176-D179 WeakPolarHBondContact O-CB 3.32Å; T176-D179 PolarHBondContact O-N 3.24Å; T176-D179 PolarHBondContact OG1-OD2 2.95Å; L177-D179 PolarHBondContact O-N 3.2Å; D179-Y183 VanDerWaalsContact O-CE2 3.24Å; D179-Y183 WeakPolarHBondContact O-CE2 3.26Å; D179-Y183 PolarHBondContact O-OH 3.37Å; D179-I207 VanDerWaalsContact C-CD1 3.49Å; D179-I207 HydrophobicContact CB-CD1 3.64Å
180E94.9Very high95.6Very high90 Ų9053.9 Ų53.942%0.42126%0.26SS..  trans-65.3139.4171.4-172.2174.3145.800110L177 E178 V205L177-E180 WeakPolarHBondContact O-CB 3.37Å; L177-E180 PolarHBondContact O-N 2.82Å; E178-E180 VanDerWaalsContact C-N 3.31Å; E180-V205 WeakPolarHBondContact CG-O 3.35Å
181G95.2Very high95.2Very high8 Ų858.3 Ų58.38%0.08228%0.283CS..EExtended strand (participates in β ladder)trans161.4-173.1177.700000114.1V205G181-V205 PolarHBondContact N-O 2.77Å; G181-V205 PolarHBondContact O-N 2.95Å
182R96.9Very high94.9Very high134 Ų13458.8 Ų58.851%0.50630%0.298SS..EExtended strand (participates in β ladder)trans-95.1110.2177.1-70.8-178.9166.7-87.3-0.3110.6D156 P202 T203 L204D156-R182 PolarHBondContact N-O 2.94Å; D156-R182 WeakPolarHBondContact OD1-CB 3.5Å; D156-R182 PolarHBondContact OD1-N 2.87Å; R182-P202 HydrophobicContact CB-CB 3.96Å; R182-T203 CarbonylContact C-O 3.47Å; R182-T203 WeakPolarHBondContact CA-O 3.03Å; R182-L204 HydrophobicContact CG-CD1 4.1Å
183Y97.3Very high94.5Very high0 Ų069.9 Ų69.90%034%0.338CS..EExtended strand (participates in β ladder)trans-93.7135-179.6-72.6-103.9000111.8L123 L138 L153 Y154 R155 V160 D179 P202 T203 V205L123-Y183 VanDerWaalsContact CD2-CB 3.48Å; L123-Y183 WeakPolarHBondContact CD2-O 3.28Å; L138-Y183 HydrophobicContact CD1-CD1 3.83Å; L138-Y183 HydrophobicContact CD1-CE1 4.24Å; L138-Y183 HydrophobicContact CD1-CG 4.34Å; L153-Y183 HydrophobicContact CD1-CD1 4.06Å; L153-Y183 HydrophobicContact CD2-CD1 3.94Å; L153-Y183 HydrophobicContact CD2-CE1 4.13Å; L153-Y183 HydrophobicContact CG-CD1 4.01Å; Y154-Y183 CarbonylContact O-C 3.05Å; Y154-Y183 WeakPolarHBondContact O-CA 3.08Å; R155-Y183 HydrophobicContact CB-CD1 4.28Å; R155-Y183 HydrophobicContact CB-CE1 4.01Å; R155-Y183 VanDerWaalsContact CD-OH 3.26Å; R155-Y183 WeakPolarHBondContact CD-OH 3.39Å; R155-Y183 HydrophobicContact CG-CD2 4.41Å; R155-Y183 HydrophobicContact CG-CE1 4.23Å; R155-Y183 HydrophobicContact CG-CE2 3.95Å; V160-Y183 HydrophobicContact CG2-CE1 4.5Å; D179-Y183 VanDerWaalsContact O-CE2 3.24Å; D179-Y183 WeakPolarHBondContact O-CE2 3.26Å; D179-Y183 PolarHBondContact O-OH 3.37Å; Y183-P202 CarbonylContact O-C 3.48Å; Y183-P202 WeakPolarHBondContact O-CA 3.03Å; Y183-T203 PolarHBondContact N-O 3.45Å; Y183-T203 PolarHBondContact O-N 2.91Å; Y183-V205 HydrophobicContact CD2-CB 3.8Å; Y183-V205 HydrophobicContact CD2-CG2 3.37Å; Y183-V205 HydrophobicContact CE2-CB 3.95Å; Y183-V205 HydrophobicContact CE2-CG2 3.99Å; Y183-V205 HydrophobicContact CG-CG2 4.03Å
184S97.8Very high94.4Very high7 Ų775.4 Ų75.45%0.04935%0.351CS..EExtended strand (participates in β ladder)trans-136.5156.5170.855.90000109.6Y154Y154-S184 PolarHBondContact N-O 2.69Å; Y154-S184 PolarHBondContact O-N 2.89Å
185C97.8Very high94.4Very high0 Ų073 Ų730%035%0.346CS..EExtended strand (participates in β ladder)trans-122.6143.4177.260.70000110.7L123 C140 I152 M199 S200L123-C185 HydrophobicContact CD1-CB 4.12Å; C140-C185 HydrophobicContact CB-CB 3.66Å; C140-C185 WeakPolarHBondContact CB-SG 3.23Å; C140-C185 WeakPolarHBondContact SG-CB 3.5Å; C140-C185 CovalentContact SG-SG 2.03Å; C140-C185 PolarHBondContact SG-SG 2.89Å; I152-C185 CarbonylContact O-C 3.54Å; I152-C185 WeakPolarHBondContact O-CA 3.17Å; C185-M199 CarbonylContact O-C 3.57Å; C185-M199 VanDerWaalsContact O-CA 3.31Å; C185-M199 WeakPolarHBondContact O-CA 2.97Å; C185-S200 PolarHBondContact N-OG 3.14Å; C185-S200 PolarHBondContact O-N 3.38Å; C185-S200 PolarHBondContact O-OG 2.78Å; C185-S200 PolarHBondContact SG-OG 2.88Å; C185-S200 VanDerWaalsContact SG-OG 3.32Å
186R97.9Very high94.4Very high95 Ų9576.6 Ų76.636%0.35836%0.363SS..EExtended strand (participates in β ladder)trans-109.7127.6169.3-179.8-177.4-691690.5108.8T151 I152 Y154 S197 V198 M199T151-R186 CarbonylContact C-O 3.52Å; T151-R186 VanDerWaalsContact CA-O 3.31Å; T151-R186 WeakPolarHBondContact CA-O 3.43Å; I152-R186 HydrophobicContact CB-CB 4.39Å; I152-R186 PolarHBondContact N-O 2.84Å; I152-R186 PolarHBondContact O-N 2.82Å; Y154-R186 HydrophobicContact CE2-CB 3.79Å; Y154-R186 PolarHBondContact OH-NH1 2.85Å; R186-S197 VanDerWaalsContact CD-OG 3.31Å; R186-S197 WeakPolarHBondContact CD-OG 3.32Å; R186-S197 WeakPolarHBondContact CG-OG 3.47Å; R186-V198 CarbonylContact C-O 3.5Å; R186-V198 VanDerWaalsContact CA-O 3.29Å; R186-V198 WeakPolarHBondContact CA-O 3.49Å; R186-M199 HydrophobicContact CB-CG 4.48Å
187V97.4Very high94.4Very high0 Ų076.4 Ų76.40%036%0.364CS..EExtended strand (participates in β ladder)trans-111.5131176-170.20000108.2A121 C140 L142 V148 T151 L168 S197 V198A121-V187 HydrophobicContact CB-CG2 4.42Å; C140-V187 HydrophobicContact CB-CG2 4.47Å; C140-V187 WeakPolarHBondContact SG-CG2 3.32Å; L142-V187 HydrophobicContact CB-CG1 4.4Å; L142-V187 HydrophobicContact CD1-CB 4.17Å; L142-V187 HydrophobicContact CD1-CG1 4.22Å; L142-V187 HydrophobicContact CD2-CG1 4.1Å; L142-V187 HydrophobicContact CG-CG1 4.49Å; V148-V187 HydrophobicContact CB-CG1 4.21Å; V148-V187 HydrophobicContact CG1-CG1 3.62Å; V148-V187 HydrophobicContact CG2-CG1 3.47Å; V148-V187 VanDerWaalsContact CG2-CG1 3.47Å; T151-V187 HydrophobicContact CG2-CG2 4.16Å; L168-V187 HydrophobicContact CD2-CG1 4.05Å; L168-V187 HydrophobicContact CD2-CG2 4.12Å; V187-S197 VanDerWaalsContact O-CA 3.27Å; V187-S197 WeakPolarHBondContact O-CA 3.43Å; V187-S197 PolarHBondContact O-OG 3.45Å; V187-V198 PolarHBondContact N-O 3.27Å; V187-V198 PolarHBondContact O-N 2.99Å
188S96.6Very high94.6Very high8 Ų873.9 Ų73.96%0.05635%0.352CS..EExtended strand (participates in β ladder)trans-123.4136.7178.5-58.30000111.1H149 Q150 H196 S197H149-S188 PolarHBondContact N-O 3.03Å; Q150-S188 PolarHBondContact N-O 2.92Å; Q150-S188 PolarHBondContact O-N 2.68Å; S188-H196 VanDerWaalsContact CA-O 3.27Å; S188-H196 WeakPolarHBondContact CA-O 3.43Å; S188-S197 PolarHBondContact OG-OG 2.83Å
189W95.4Very high94.7Very high33 Ų3371.1 Ų71.113%0.12534%0.341CS..EExtended strand (participates in β ladder)trans-144160.3177.768.396.5000110L142 A146 P147 H196 V198L142-W189 HydrophobicContact CD1-CE3 4.31Å; L142-W189 HydrophobicContact CD1-CH2 4.08Å; L142-W189 HydrophobicContact CD1-CZ3 3.7Å; L142-W189 HydrophobicContact CD2-CD2 4.43Å; L142-W189 HydrophobicContact CD2-CE3 4.04Å; L142-W189 HydrophobicContact CD2-CZ3 4.21Å; A146-W189 HydrophobicContact CB-CB 4.27Å; A146-W189 HydrophobicContact CB-CD2 4.03Å; A146-W189 HydrophobicContact CB-CG 3.72Å; P147-W189 WeakPolarHBondContact O-CB 3.18Å; W189-H196 HydrophobicContact CD2-CB 3.88Å; W189-H196 HydrophobicContact CE3-CB 4.36Å; W189-H196 HydrophobicContact CG-CB 4.41Å; W189-H196 HydrophobicContact CH2-CB 4.08Å; W189-H196 HydrophobicContact CZ2-CB 3.53Å; W189-H196 HydrophobicContact CZ3-CB 4.43Å; W189-H196 PolarHBondContact N-O 2.85Å; W189-H196 PolarHBondContact O-N 2.88Å; W189-V198 HydrophobicContact CH2-CB 4.46Å; W189-V198 HydrophobicContact CH2-CG1 3.69Å; W189-V198 HydrophobicContact CH2-CG2 4.11Å; W189-V198 HydrophobicContact CZ3-CB 4.44Å; W189-V198 HydrophobicContact CZ3-CG1 4.12Å; W189-V198 HydrophobicContact CZ3-CG2 3.84Å
190D91.8Very high94.9Very high71 Ų7170 Ų7038%0.3833%0.334SS..EExtended strand (participates in β ladder)trans-106.9134.5175.6-59-53.1000110.7H149 R194 T195H149-D190 VanDerWaalsContact CE1-CG 3.49Å; H149-D190 IonicContact CE1-OD1 3.38Å; H149-D190 PolarHBondContact CE1-OD1 2.95Å; H149-D190 IonicContact CE1-OD2 3.2Å; H149-D190 PolarHBondContact CE1-OD2 2.84Å; H149-D190 IonicContact CG-OD2 3.66Å; H149-D190 IonicContact ND1-OD1 2.78Å; H149-D190 IonicContact ND1-OD2 2.69Å; H149-D190 PolarHBondContact ND1-OD2 2.78Å; D190-R194 WeakPolarHBondContact CA-O 3.5Å; D190-T195 VanDerWaalsContact OD1-CA 3.3Å; D190-T195 WeakPolarHBondContact OD1-CA 3.36Å; D190-T195 WeakPolarHBondContact OD1-CB 3.46Å; D190-T195 PolarHBondContact OD1-OG1 3.47Å
191L89.4Confident94.9Very high95 Ų9569.1 Ų69.150%0.49734%0.335SS..EExtended strand (participates in β ladder)trans-137.8129.3173.8-172.367.3000108.7R193 R194L191-R193 VanDerWaalsContact C-N 3.28Å; L191-R193 PolarHBondContact O-N 3.41Å; L191-R194 PolarHBondContact N-O 2.84Å; L191-R194 PolarHBondContact O-N 2.98Å; L191-R194 VanDerWaalsContact O-O 3.12Å
192S87.9Confident94.9Very high112 Ų11271.2 Ų71.278%0.78335%0.348SS*.THydrogen-bonded Turntrans51.343.2176.9-57.10000114.1R194S192-R194 PolarHBondContact O-N 2.82Å
193R87.6Confident94.7Very high258 Ų25866 Ų6697%0.97433%0.331SS*.THydrogen-bonded Turntrans61.419.4-175.6-52.1-173.2-178-162.21115.1L191L191-R193 VanDerWaalsContact C-N 3.28Å; L191-R193 PolarHBondContact O-N 3.41Å
194R92.4Very high94.5Very high184 Ų18470.1 Ų70.169%0.69435%0.352SS*.EExtended strand (participates in β ladder)trans-117138.3170.8-64.7-173.7-178.4-140.90.9109.9D190 L191 S192D190-R194 WeakPolarHBondContact CA-O 3.5Å; L191-R194 PolarHBondContact N-O 2.84Å; L191-R194 PolarHBondContact O-N 2.98Å; L191-R194 VanDerWaalsContact O-O 3.12Å; S192-R194 PolarHBondContact O-N 2.82Å
195T93.6Very high94.3Very high96 Ų9669.9 Ų69.959%0.58935%0.35SS*.EExtended strand (participates in β ladder)trans-83.6124.7171.1-54.90000109.4D190D190-T195 VanDerWaalsContact OD1-CA 3.3Å; D190-T195 WeakPolarHBondContact OD1-CA 3.36Å; D190-T195 WeakPolarHBondContact OD1-CB 3.46Å; D190-T195 PolarHBondContact OD1-OG1 3.47Å
196H94.9Very high94Very high78 Ų7873.3 Ų73.336%0.36137%0.369SS..EExtended strand (participates in β ladder)trans-106.4145.9171.6-70.3-91.6000109.1S188 W189S188-H196 VanDerWaalsContact CA-O 3.27Å; S188-H196 WeakPolarHBondContact CA-O 3.43Å; W189-H196 HydrophobicContact CD2-CB 3.88Å; W189-H196 HydrophobicContact CE3-CB 4.36Å; W189-H196 HydrophobicContact CG-CB 4.41Å; W189-H196 HydrophobicContact CH2-CB 4.08Å; W189-H196 HydrophobicContact CZ2-CB 3.53Å; W189-H196 HydrophobicContact CZ3-CB 4.43Å; W189-H196 PolarHBondContact N-O 2.85Å; W189-H196 PolarHBondContact O-N 2.88Å
197S95.9Very high93.8Very high57 Ų5769 Ų6940%0.39935%0.353SS..EExtended strand (participates in β ladder)trans-147.1139.4177.6-164.30000110.5R186 V187 S188R186-S197 VanDerWaalsContact CD-OG 3.31Å; R186-S197 WeakPolarHBondContact CD-OG 3.32Å; R186-S197 WeakPolarHBondContact CG-OG 3.47Å; V187-S197 VanDerWaalsContact O-CA 3.27Å; V187-S197 WeakPolarHBondContact O-CA 3.43Å; V187-S197 PolarHBondContact O-OG 3.45Å; S188-S197 PolarHBondContact OG-OG 2.83Å
198V96.9Very high93.6Very high34 Ų3471.4 Ų71.421%0.20637%0.366CS..EExtended strand (participates in β ladder)trans-134.3152.1175-60.40000109.8F120 A121 L142 R186 V187 W189F120-V198 HydrophobicContact CB-CB 4.24Å; F120-V198 HydrophobicContact CB-CG1 4Å; F120-V198 HydrophobicContact CB-CG2 4.03Å; A121-V198 HydrophobicContact CB-CG2 3.72Å; L142-V198 HydrophobicContact CD1-CG2 3.57Å; R186-V198 CarbonylContact C-O 3.5Å; R186-V198 VanDerWaalsContact CA-O 3.29Å; R186-V198 WeakPolarHBondContact CA-O 3.49Å; V187-V198 PolarHBondContact N-O 3.27Å; V187-V198 PolarHBondContact O-N 2.99Å; W189-V198 HydrophobicContact CH2-CB 4.46Å; W189-V198 HydrophobicContact CH2-CG1 3.69Å; W189-V198 HydrophobicContact CH2-CG2 4.11Å; W189-V198 HydrophobicContact CZ3-CB 4.44Å; W189-V198 HydrophobicContact CZ3-CG1 4.12Å; W189-V198 HydrophobicContact CZ3-CG2 3.84Å
199M96.9Very high93.4Very high106 Ų10673.4 Ų73.452%0.52237%0.374SS..EExtended strand (participates in β ladder)trans-120.3140.3-179.6-161.6169.27500109.8C185 R186C185-M199 CarbonylContact O-C 3.57Å; C185-M199 VanDerWaalsContact O-CA 3.31Å; C185-M199 WeakPolarHBondContact O-CA 2.97Å; R186-M199 HydrophobicContact CB-CG 4.48Å
200S97.8Very high93.3Very high3 Ų373.4 Ų73.42%0.02138%0.377CS..PPolyproline II helixtrans-78.2155.817366.80000111.7A121 C185A121-S200 WeakPolarHBondContact O-CA 3.4Å; A121-S200 VanDerWaalsContact O-CB 3.25Å; A121-S200 WeakPolarHBondContact O-CB 3.31Å; C185-S200 PolarHBondContact N-OG 3.14Å; C185-S200 PolarHBondContact O-N 3.38Å; C185-S200 PolarHBondContact O-OG 2.78Å; C185-S200 PolarHBondContact SG-OG 2.88Å; C185-S200 VanDerWaalsContact SG-OG 3.32Å
201V94.8Very high93.4Very high72 Ų7270.1 Ų70.144%0.43636%0.36SS..PPolyproline II helixtrans-65.1137.1169.8176.40000109.3R39 T203R39-V201 PolarHBondContact NH1-O 2.78Å; V201-T203 PolarHBondContact O-N 2.93Å
202P95.3Very high93.5Very high53 Ų5366.6 Ų66.634%0.34434%0.344SS..PPolyproline II helixtrans-60.6127.1-180-22.231.7000113.6R182 Y183R182-P202 HydrophobicContact CB-CB 3.96Å; Y183-P202 CarbonylContact O-C 3.48Å; Y183-P202 WeakPolarHBondContact O-CA 3.03Å
203T93.5Very high93.9Very high25 Ų2566.4 Ų66.415%0.15333%0.329CS..EExtended strand (participates in β ladder)trans-97.7129.7172.9-51.60000109.6R39 L125 R182 Y183 V201R39-T203 PolarHBondContact NH1-OG1 2.89Å; L125-T203 HydrophobicContact CD1-CG2 3.73Å; R182-T203 CarbonylContact C-O 3.47Å; R182-T203 WeakPolarHBondContact CA-O 3.03Å; Y183-T203 PolarHBondContact N-O 3.45Å; Y183-T203 PolarHBondContact O-N 2.91Å; V201-T203 PolarHBondContact O-N 2.93Å
204L93.1Very high94.3Very high85 Ų8554.2 Ų54.245%0.44528%0.284SS..EExtended strand (participates in β ladder)trans-73.5128.2172.8-178.866.3000110.1R182 N206R182-L204 HydrophobicContact CG-CD1 4.1Å; L204-N206 WeakPolarHBondContact CD2-OD1 3.21Å; L204-N206 VanDerWaalsContact CG-OD1 3.24Å; L204-N206 WeakPolarHBondContact CG-OD1 3.01Å
205V93.5Very high94.5Very high2 Ų250 Ų501%0.01228%0.278CS..EExtended strand (participates in β ladder)trans-113.7114174.6-175.40000107.7L125 L136 E180 G181 Y183L125-V205 HydrophobicContact CD2-CG1 4.39Å; L125-V205 HydrophobicContact CD2-CG2 3.96Å; L136-V205 HydrophobicContact CD1-CG1 3.99Å; L136-V205 HydrophobicContact CD2-CG1 4.04Å; E180-V205 WeakPolarHBondContact CG-O 3.35Å; G181-V205 PolarHBondContact N-O 2.77Å; G181-V205 PolarHBondContact O-N 2.95Å; Y183-V205 HydrophobicContact CD2-CB 3.8Å; Y183-V205 HydrophobicContact CD2-CG2 3.37Å; Y183-V205 HydrophobicContact CE2-CB 3.95Å; Y183-V205 HydrophobicContact CE2-CG2 3.99Å; Y183-V205 HydrophobicContact CG-CG2 4.03Å
206N91.2Very high94.6Very high73 Ų7345.7 Ų45.739%0.3925%0.251SS..  trans-97.4130.1178.5-67.5-8.8000109.7L204L204-N206 WeakPolarHBondContact CD2-OD1 3.21Å; L204-N206 VanDerWaalsContact CG-OD1 3.24Å; L204-N206 WeakPolarHBondContact CG-OD1 3.01Å
207I93.7Very high94.7Very high3 Ų345.5 Ų45.52%0.01525%0.251CS..EExtended strand (participates in β ladder)trans-112.4122.9177.7-60174.2000108.2V130 V132 V175 T176 L177 D179V130-I207 WeakPolarHBondContact O-CA 3.48Å; V132-I207 HydrophobicContact CG2-CG2 3.88Å; V175-I207 HydrophobicContact CB-CD1 3.87Å; V175-I207 HydrophobicContact CG2-CD1 3.88Å; V175-I207 HydrophobicContact CG2-CG1 4.32Å; V175-I207 HydrophobicContact CG2-CG2 4.09Å; T176-I207 WeakPolarHBondContact O-CD1 3.15Å; L177-I207 HydrophobicContact CD2-CG2 4.31Å; L177-I207 WeakPolarHBondContact CD2-O 3.27Å; D179-I207 VanDerWaalsContact C-CD1 3.49Å; D179-I207 HydrophobicContact CB-CD1 3.64Å
208L92.9Very high94.6Very high52 Ų5243.9 Ų43.927%0.27224%0.237SC..EExtended strand (participates in β ladder)trans-108.5145.2-174.3-56.6175.3000110.7V130 L131 V132 N239V130-L208 PolarHBondContact O-N 3.42Å; L131-L208 CarbonylContact C-O 3.55Å; L131-L208 VanDerWaalsContact CA-O 3.23Å; L131-L208 WeakPolarHBondContact CA-O 3.12Å; L131-L208 HydrophobicContact CD2-CB 3.93Å; V132-L208 PolarHBondContact N-O 3.18Å; L208-N239 HydrophobicContact CB-CB 4.47Å; L208-N239 HydrophobicContact CD1-CB 4.49Å
209E92.6Very high94.5Very high50 Ų5044.1 Ų44.123%0.23424%0.237CC..  trans-71.3145.8164.3-64.9-170.5106.200110.1V132 L177 L211 N239 R289V132-E209 HydrophobicContact CG2-CG 4.37Å; L177-E209 HydrophobicContact CD1-CG 4.15Å; L177-E209 HydrophobicContact CD2-CG 4.32Å; E209-L211 VanDerWaalsContact C-N 3.3Å; E209-L211 PolarHBondContact O-N 2.83Å; E209-N239 PolarHBondContact O-ND2 3.06Å; E209-R289 IonicContact OE1-CZ 3.24Å; E209-R289 IonicContact OE1-NE 3.66Å; E209-R289 IonicContact OE1-NH2 2.62Å; E209-R289 PolarHBondContact OE1-NH2 2.99Å
210V92.8Very high94.2Very high32 Ų3243.9 Ų43.919%0.19423%0.233CC..SBendtrans-58.4-46.4172.5-178.90000110.3L131 Y238 N239 A240 L285 I287L131-V210 HydrophobicContact CB-CG2 4.33Å; L131-V210 HydrophobicContact CD1-CG2 4.15Å; V210-Y238 HydrophobicContact CG1-CE2 4.13Å; V210-Y238 VanDerWaalsContact O-CD2 3.26Å; V210-Y238 WeakPolarHBondContact O-CD2 3.47Å; V210-N239 PolarHBondContact O-N 3.06Å; V210-A240 HydrophobicContact CG1-CB 4.26Å; V210-L285 HydrophobicContact CG1-CD1 4.07Å; V210-I287 HydrophobicContact CB-CD1 4.1Å; V210-I287 HydrophobicContact CG1-CD1 4.02Å
211L93.9Very high93.6Very high3 Ų349.6 Ų49.62%0.01626%0.264CS..BIsolated β-bridgetrans-128.3109.4174.8-171.473.4000108.2E209 V236 Y238 A280 V282 I287 R289E209-L211 VanDerWaalsContact C-N 3.3Å; E209-L211 PolarHBondContact O-N 2.83Å; L211-V236 HydrophobicContact CD1-CG1 4.46Å; L211-V236 HydrophobicContact CD1-CG2 3.59Å; L211-V236 HydrophobicContact CG-CG2 4Å; L211-Y238 HydrophobicContact CB-CD2 4.47Å; L211-Y238 HydrophobicContact CD1-CD2 3.74Å; L211-Y238 HydrophobicContact CD1-CG 4.2Å; L211-A280 HydrophobicContact CD2-CB 4.05Å; L211-V282 HydrophobicContact CD1-CG2 4.33Å; L211-V282 HydrophobicContact CD2-CG2 4.19Å; L211-I287 HydrophobicContact CB-CG2 3.9Å; L211-I287 HydrophobicContact CD2-CG2 3.94Å; L211-R289 HydrophobicContact CB-CG 4.45Å; L211-R289 HydrophobicContact CD2-CB 4.09Å; L211-R289 HydrophobicContact CD2-CG 3.96Å; L211-R289 HydrophobicContact CG-CG 4.21Å
212A93.4Very high92.9Very high20 Ų2048 Ų4817%0.16525%0.253CS..PPolyproline II helixtrans-68163.3179.500000111.6P214 V236 Q237A212-P214 WeakPolarHBondContact O-CD 3.3Å; A212-V236 WeakPolarHBondContact O-CG2 3.29Å; A212-Q237 HydrophobicContact CB-CB 3.9Å; A212-Q237 PolarHBondContact N-O 3.18Å
213K94.3Very high91.8Very high109 Ų10950.4 Ų50.447%0.47428%0.277SS..PPolyproline II helixtrans-60.9121.2170.7-172.5178.4-176.9176.80110.4E292K213-E292 WeakPolarHBondContact CE-OE1 3.13Å; K213-E292 IonicContact NZ-OE1 3.62Å; K213-E292 PolarHBondContact NZ-OE1 2.8Å
214P96.1Very high91.1Very high2 Ų258.1 Ų58.11%0.01331%0.312CS..PPolyproline II helixtrans-73.3152.2-178.627.7-33000111.9A212 H235 V236 R289 S291A212-P214 WeakPolarHBondContact O-CD 3.3Å; P214-H235 CarbonylContact C-O 3.58Å; P214-H235 WeakPolarHBondContact CA-O 3.34Å; P214-V236 HydrophobicContact CB-CB 4.04Å; P214-V236 HydrophobicContact CB-CG2 4.11Å; P214-R289 HydrophobicContact CG-CB 4.31Å; P214-S291 WeakPolarHBondContact O-CA 3.25Å; P214-S291 WeakPolarHBondContact O-CB 3.43Å
215V96.5Very high90.3Very high95 Ų9555.6 Ų55.658%0.57630%0.298SS*.EExtended strand (participates in β ladder)trans-119.3123.2177-1800000108.8H235V215-H235 PolarHBondContact N-O 2.86Å; V215-H235 PolarHBondContact O-N 2.83Å
216L96.7Very high89.7Confident6 Ų657.9 Ų57.93%0.03132%0.322CS..EExtended strand (participates in β ladder)trans-84122.7177.6-177.475.2000111.1I218 L232 F251 Y276 C278 R294L216-I218 HydrophobicContact CD2-CD1 4.47Å; L216-I218 HydrophobicContact CD2-CG1 4.23Å; L216-I218 HydrophobicContact CG-CG1 4.45Å; L216-L232 HydrophobicContact CD1-CB 4.25Å; L216-F251 HydrophobicContact CD1-CD1 4.23Å; L216-F251 HydrophobicContact CD1-CE1 4.17Å; L216-Y276 VanDerWaalsContact CD2-O 3.27Å; L216-Y276 WeakPolarHBondContact CD2-O 3.36Å; L216-C278 HydrophobicContact CD1-CB 4.07Å; L216-R294 HydrophobicContact CD2-CB 4.25Å; L216-R294 VanDerWaalsContact O-CD 3.25Å; L216-R294 WeakPolarHBondContact O-CD 3.38Å; L216-R294 PolarHBondContact O-NH1 3.47Å
217E96.4Very high89.1Confident74 Ų7465.5 Ų65.535%0.34635%0.345SS..EExtended strand (participates in β ladder)trans-100.2138.5165.5-175.6-179.3173.800111.3L232 I233 H235E217-L232 WeakPolarHBondContact O-CA 2.99Å; E217-I233 HydrophobicContact CB-CB 4.23Å; E217-I233 PolarHBondContact N-O 2.04Å; E217-I233 PolarHBondContact O-N 2.79Å; E217-H235 IonicContact OE2-CD2 2.62Å; E217-H235 IonicContact OE2-CE1 3.06Å; E217-H235 IonicContact OE2-NE2 3.88Å; E217-H235 PolarHBondContact OE2-NE2 2.87Å
218I95.2Very high88.8Confident23 Ų2371.3 Ų71.312%0.11838%0.376CS..EExtended strand (participates in β ladder)trans-115.2102.8173.2-53.8-180000107.1L216 M230 L232 Y276 R294 F296L216-I218 HydrophobicContact CD2-CD1 4.47Å; L216-I218 HydrophobicContact CD2-CG1 4.23Å; L216-I218 HydrophobicContact CG-CG1 4.45Å; I218-M230 HydrophobicContact CG2-SD 3.7Å; I218-L232 HydrophobicContact CB-CD2 4.33Å; I218-L232 HydrophobicContact CD1-CD2 4.46Å; I218-L232 HydrophobicContact CG1-CD2 3.84Å; I218-L232 HydrophobicContact CG2-CD2 4.08Å; I218-Y276 HydrophobicContact CD1-CD2 4.1Å; I218-Y276 HydrophobicContact CD1-CG 4.3Å; I218-R294 HydrophobicContact CD1-CB 4.23Å; I218-R294 HydrophobicContact CD1-CG 4.27Å; I218-F296 HydrophobicContact CD1-CB 3.88Å; I218-F296 HydrophobicContact CG2-CD2 3.9Å; I218-F296 HydrophobicContact CG2-CG 4.4Å
219D94.5Very high88.7Confident38 Ų3873.6 Ų73.620%0.20338%0.384CS..EExtended strand (participates in β ladder)trans-93.4100.2176.5172.315.7000109.2D221 N222 M230 N231 I233D219-D221 PolarHBondContact OD1-N 2.83Å; D219-N222 PolarHBondContact OD1-N 2.74Å; D219-N222 VanDerWaalsContact OD2-CB 3.29Å; D219-N222 WeakPolarHBondContact OD2-CB 3.42Å; D219-N222 PolarHBondContact OD2-ND2 2.88Å; D219-M230 WeakPolarHBondContact O-CA 2.97Å; D219-N231 HydrophobicContact CB-CB 4.2Å; D219-N231 PolarHBondContact N-O 3.09Å; D219-N231 PolarHBondContact O-N 3.37Å; D219-I233 HydrophobicContact CB-CD1 4.41Å
220K89.3Confident88.7Confident102 Ų10271.2 Ų71.244%0.44337%0.373SS..  trans-92.8-15.4-175.368.2178.1-174.4177.50113.8K271 F296K220-K271 WeakPolarHBondContact O-CE 3.49Å; K220-K271 PolarHBondContact O-NZ 2.82Å; K220-F296 HydrophobicContact CB-CE2 3.83Å; K220-F296 HydrophobicContact CD-CE2 4.11Å
221D85.6Confident88.8Confident122 Ų12270.3 Ų70.365%0.65237%0.367SS*.  trans-113.214-169-62.5-42.7000112D219 A223D219-D221 PolarHBondContact OD1-N 2.83Å; D221-A223 PolarHBondContact O-N 2.98Å
222N79.8Confident88.9Confident39 Ų3970.2 Ų70.221%0.20937%0.366CS..  trans-58.9108.4178.4-162.6-50.5000111.8D219 Q224 L225D219-N222 PolarHBondContact OD1-N 2.74Å; D219-N222 VanDerWaalsContact OD2-CB 3.29Å; D219-N222 WeakPolarHBondContact OD2-CB 3.42Å; D219-N222 PolarHBondContact OD2-ND2 2.88Å; N222-Q224 PolarHBondContact O-N 3.37Å; N222-Q224 VanDerWaalsContact O-N 3.11Å; N222-Q224 WeakPolarHBondContact OD1-CB 3.48Å; N222-Q224 PolarHBondContact OD1-N 3.21Å; N222-Q224 VanDerWaalsContact OD1-N 3.08Å; N222-L225 HydrophobicContact CB-CB 4.26Å; N222-L225 HydrophobicContact CB-CD1 3.64Å; N222-L225 HydrophobicContact CB-CG 4.45Å; N222-L225 PolarHBondContact O-N 2.85Å
223A73.2Confident89Confident104 Ų10470.5 Ų70.586%0.8637%0.365SS*.THydrogen-bonded Turntrans-63.2-18.7-176.400000113.7D221 L225D221-A223 PolarHBondContact O-N 2.98Å; A223-L225 VanDerWaalsContact C-N 3.32Å
224Q78.1Confident89.2Confident187 Ų18765.3 Ų65.387%0.87434%0.342SS*.THydrogen-bonded Turntrans-83.4-11.5177.8-56.6-179-0.500112.4N222N222-Q224 PolarHBondContact O-N 3.37Å; N222-Q224 VanDerWaalsContact O-N 3.11Å; N222-Q224 WeakPolarHBondContact OD1-CB 3.48Å; N222-Q224 PolarHBondContact OD1-N 3.21Å; N222-Q224 VanDerWaalsContact OD1-N 3.08Å
225L77.7Confident89.2Confident32 Ų3269 Ų6917%0.16836%0.36CS..SBendtrans-101.8142.8-179.9-80.5146.4000111N222 A223 K229 N231 H268N222-L225 HydrophobicContact CB-CB 4.26Å; N222-L225 HydrophobicContact CB-CD1 3.64Å; N222-L225 HydrophobicContact CB-CG 4.45Å; N222-L225 PolarHBondContact O-N 2.85Å; A223-L225 VanDerWaalsContact C-N 3.32Å; L225-K229 HydrophobicContact CB-CB 4.27Å; L225-K229 HydrophobicContact CD2-CB 3.93Å; L225-K229 HydrophobicContact CD2-CD 4.11Å; L225-N231 HydrophobicContact CD1-CB 3.78Å; L225-H268 HydrophobicContact CD2-CB 4.11Å; L225-H268 WeakPolarHBondContact CD2-CD2 3.44Å
226G79.6Confident89.1Confident49 Ų4965.9 Ų65.951%0.50534%0.34SS..  trans-57.6150.5176.100000111.9N228 K229G226-N228 PolarHBondContact O-N 2.89Å; G226-K229 PolarHBondContact O-N 2.93Å
227R78.4Confident89Confident233 Ų23370.9 Ų70.988%0.87936%0.364SS*.THydrogen-bonded Turntrans-45.7-33.3-172.1-77.2-174.1-122.3-152.3-0.9115.7K271R227-K271 WeakPolarHBondContact O-CE 3.21Å; R227-K271 PolarHBondContact O-NZ 3.18Å
228N87.1Confident88.9Confident126 Ų12670 Ų7067%0.67436%0.358SS*.THydrogen-bonded Turntrans-94.87-176.9-68.5-3.5000114.6G226 N270 K271G226-N228 PolarHBondContact O-N 2.89Å; N228-N270 CarbonylContact O-C 3.52Å; N228-N270 WeakPolarHBondContact O-CA 3.5Å; N228-K271 PolarHBondContact O-N 2.79Å
229K91.6Very high88.7Confident99 Ų9970.8 Ų70.843%0.4336%0.362SS..EExtended strand (participates in β ladder)trans-111.6151.1179-66.4-172.5177.2-176.30111.4L225 G226 V269 K271L225-K229 HydrophobicContact CB-CB 4.27Å; L225-K229 HydrophobicContact CD2-CB 3.93Å; L225-K229 HydrophobicContact CD2-CD 4.11Å; G226-K229 PolarHBondContact O-N 2.93Å; K229-V269 CarbonylContact C-O 3.57Å; K229-V269 VanDerWaalsContact CA-O 3.26Å; K229-V269 WeakPolarHBondContact CA-O 3.08Å; K229-K271 WeakPolarHBondContact O-CE 3.4Å
230M93.4Very high88.5Confident0 Ų069.9 Ų69.90%036%0.359CS..EExtended strand (participates in β ladder)trans-131.5158.2170.363.3-176.1-175.500109.3I218 D219 L232 V269 K271 Y276 F296I218-M230 HydrophobicContact CG2-SD 3.7Å; D219-M230 WeakPolarHBondContact O-CA 2.97Å; M230-L232 HydrophobicContact CE-CD2 4.2Å; M230-V269 HydrophobicContact CE-CG2 3.47Å; M230-V269 VanDerWaalsContact CE-CG2 3.47Å; M230-V269 HydrophobicContact CG-CG2 3.53Å; M230-V269 PolarHBondContact N-O 2.81Å; M230-V269 PolarHBondContact O-N 2.86Å; M230-V269 HydrophobicContact SD-CG2 4.36Å; M230-K271 HydrophobicContact CB-CG 4.03Å; M230-K271 HydrophobicContact CG-CG 4.25Å; M230-K271 HydrophobicContact SD-CG 4.38Å; M230-Y276 HydrophobicContact CE-CD1 4.42Å; M230-Y276 HydrophobicContact CE-CD2 4.43Å; M230-Y276 HydrophobicContact CE-CE1 3.65Å; M230-Y276 HydrophobicContact CE-CE2 3.69Å; M230-Y276 WeakPolarHBondContact CE-OH 3.39Å; M230-F296 HydrophobicContact CE-CD1 4.14Å; M230-F296 HydrophobicContact CE-CG 4.42Å; M230-F296 HydrophobicContact SD-CD1 3.88Å; M230-F296 HydrophobicContact SD-CD2 4.08Å; M230-F296 HydrophobicContact SD-CE1 3.85Å; M230-F296 HydrophobicContact SD-CE2 4.06Å; M230-F296 HydrophobicContact SD-CG 3.99Å; M230-F296 HydrophobicContact SD-CZ 3.94Å
231N94.4Very high88.3Confident13 Ų1369.7 Ų69.77%0.0737%0.369CS..EExtended strand (participates in β ladder)trans-105.5127.2177-167.522000109.7D219 L225 M267D219-N231 HydrophobicContact CB-CB 4.2Å; D219-N231 PolarHBondContact N-O 3.09Å; D219-N231 PolarHBondContact O-N 3.37Å; L225-N231 HydrophobicContact CD1-CB 3.78Å; N231-M267 PolarHBondContact OD1-O 3.35Å
232L95.6Very high88.1Confident1 Ų168.5 Ų68.51%0.00538%0.376CS..EExtended strand (participates in β ladder)trans-97.1124.1170.9-59.6-178.7000107.5L216 E217 I218 M230 F251 L258 H266 M267 V269 Y276L216-L232 HydrophobicContact CD1-CB 4.25Å; E217-L232 WeakPolarHBondContact O-CA 2.99Å; I218-L232 HydrophobicContact CB-CD2 4.33Å; I218-L232 HydrophobicContact CD1-CD2 4.46Å; I218-L232 HydrophobicContact CG1-CD2 3.84Å; I218-L232 HydrophobicContact CG2-CD2 4.08Å; M230-L232 HydrophobicContact CE-CD2 4.2Å; L232-F251 HydrophobicContact CB-CD1 3.77Å; L232-F251 HydrophobicContact CB-CE1 3.83Å; L232-F251 HydrophobicContact CD1-CB 4.49Å; L232-F251 HydrophobicContact CD1-CD1 4.18Å; L232-L258 HydrophobicContact CD1-CD1 3.93Å; L232-H266 CarbonylContact O-C 3.44Å; L232-H266 WeakPolarHBondContact O-CA 3.43Å; L232-H266 WeakPolarHBondContact O-CB 3.4Å; L232-M267 HydrophobicContact CD1-CE 4.15Å; L232-M267 PolarHBondContact N-O 2.87Å; L232-M267 PolarHBondContact O-N 3.3Å; L232-V269 HydrophobicContact CD1-CG1 4.11Å; L232-V269 HydrophobicContact CD1-CG2 3.96Å; L232-V269 HydrophobicContact CD2-CG2 4.43Å; L232-V269 HydrophobicContact CG-CG2 3.9Å; L232-Y276 HydrophobicContact CD1-CD1 3.55Å; L232-Y276 HydrophobicContact CD1-CE1 3.96Å; L232-Y276 HydrophobicContact CD1-CG 4.49Å; L232-Y276 HydrophobicContact CD2-CD1 4.01Å; L232-Y276 HydrophobicContact CD2-CE1 4.49Å; L232-Y276 HydrophobicContact CD2-CG 4.3Å; L232-Y276 HydrophobicContact CG-CD1 4.44Å
233I96.6Very high88.5Confident26 Ų2672.9 Ų72.913%0.13341%0.407CS..EExtended strand (participates in β ladder)trans-119.3123.5-179.9-50.4168.6000108.2E217 D219 N265 H266E217-I233 HydrophobicContact CB-CB 4.23Å; E217-I233 PolarHBondContact N-O 2.04Å; E217-I233 PolarHBondContact O-N 2.79Å; D219-I233 HydrophobicContact CB-CD1 4.41Å; I233-N265 CarbonylContact C-O 3.58Å; I233-N265 WeakPolarHBondContact CA-O 3.26Å; I233-H266 HydrophobicContact CB-CB 4.5Å; I233-H266 HydrophobicContact CG1-CB 4.07Å
234C96.8Very high89.2Confident0 Ų070.4 Ų70.40%039%0.386CS..EExtended strand (participates in β ladder)trans-98.395.5177.3-166.30000109V236 Y249 F251 N265 C278C234-V236 PolarHBondContact O-N 2.79Å; C234-Y249 HydrophobicContact CB-CD1 3.88Å; C234-Y249 HydrophobicContact CB-CE1 4.3Å; C234-F251 HydrophobicContact CB-CE1 3.86Å; C234-F251 HydrophobicContact CB-CZ 3.91Å; C234-N265 PolarHBondContact N-O 2.03Å; C234-C278 HydrophobicContact CB-CB 3.59Å; C234-C278 WeakPolarHBondContact CB-SG 3.31Å; C234-C278 WeakPolarHBondContact SG-CB 3.44Å; C234-C278 CovalentContact SG-SG 2.04Å; C234-C278 PolarHBondContact SG-SG 2.8Å
235H97Very high89.9Confident81 Ų8162.5 Ų62.538%0.37535%0.351SS..EExtended strand (participates in β ladder)trans-75.4119.2175.8-65-67.3000109.4P214 V215 E217P214-H235 CarbonylContact C-O 3.58Å; P214-H235 WeakPolarHBondContact CA-O 3.34Å; V215-H235 PolarHBondContact N-O 2.86Å; V215-H235 PolarHBondContact O-N 2.83Å; E217-H235 IonicContact OE2-CD2 2.62Å; E217-H235 IonicContact OE2-CE1 3.06Å; E217-H235 IonicContact OE2-NE2 3.88Å; E217-H235 PolarHBondContact OE2-NE2 2.87Å
236V94.7Very high90.7Very high28 Ų2865.6 Ų65.617%0.1737%0.373CS..  trans-136.8133.217572.40000109.3L211 A212 P214 C234 Y249 A280L211-V236 HydrophobicContact CD1-CG1 4.46Å; L211-V236 HydrophobicContact CD1-CG2 3.59Å; L211-V236 HydrophobicContact CG-CG2 4Å; A212-V236 WeakPolarHBondContact O-CG2 3.29Å; P214-V236 HydrophobicContact CB-CB 4.04Å; P214-V236 HydrophobicContact CB-CG2 4.11Å; C234-V236 PolarHBondContact O-N 2.79Å; V236-Y249 HydrophobicContact CB-CE1 4.45Å; V236-Y249 HydrophobicContact CG1-CE1 3.52Å; V236-Y249 WeakPolarHBondContact CG1-OH 3.25Å; V236-A280 HydrophobicContact CG1-CB 4.45Å; V236-A280 HydrophobicContact CG2-CB 4.25Å
237Q94.1Very high91.5Very high112 Ų11264 Ų6452%0.52335%0.354SS..  trans-88.5123.2170.2-170.6175.7-2.200108.8A212 N239A212-Q237 HydrophobicContact CB-CB 3.9Å; A212-Q237 PolarHBondContact N-O 3.18Å; Q237-N239 WeakPolarHBondContact CG-OD1 3.16Å; Q237-N239 PolarHBondContact NE2-OD1 2.85Å
238Y93.4Very high92.3Very high56 Ų5655.1 Ų55.122%0.2232%0.323CS..BIsolated β-bridgetrans-119.9105.7-179.3-178.1-137.7000109.5V210 L211 A240 A244 P245 V247 V282V210-Y238 HydrophobicContact CG1-CE2 4.13Å; V210-Y238 VanDerWaalsContact O-CD2 3.26Å; V210-Y238 WeakPolarHBondContact O-CD2 3.47Å; L211-Y238 HydrophobicContact CB-CD2 4.47Å; L211-Y238 HydrophobicContact CD1-CD2 3.74Å; L211-Y238 HydrophobicContact CD1-CG 4.2Å; Y238-A240 HydrophobicContact CD1-CB 4.5Å; Y238-A240 HydrophobicContact CD2-CB 4.07Å; Y238-A240 HydrophobicContact CE1-CB 3.92Å; Y238-A240 HydrophobicContact CE2-CB 3.39Å; Y238-A244 HydrophobicContact CE1-CB 3.9Å; Y238-P245 WeakPolarHBondContact CE1-O 3.46Å; Y238-P245 WeakPolarHBondContact OH-CD 2.89Å; Y238-P245 PolarHBondContact OH-O 2.79Å; Y238-V247 HydrophobicContact CD1-CG2 3.52Å; Y238-V247 HydrophobicContact CD2-CG2 4.37Å; Y238-V247 HydrophobicContact CE1-CG2 3.68Å; Y238-V247 HydrophobicContact CG-CG2 3.88Å; Y238-V282 HydrophobicContact CD2-CG2 4.48Å; Y238-V282 HydrophobicContact CE2-CG2 3.84Å; Y238-V282 WeakPolarHBondContact OH-CG1 3.35Å
239N92.1Very high92.8Very high39 Ų3950.4 Ų50.421%0.20930%0.296CS..  trans-99.422.9-170.9-57.2-58000112.5L131 L208 E209 V210 Q237L131-N239 HydrophobicContact CD2-CB 3.83Å; L208-N239 HydrophobicContact CB-CB 4.47Å; L208-N239 HydrophobicContact CD1-CB 4.49Å; E209-N239 PolarHBondContact O-ND2 3.06Å; V210-N239 PolarHBondContact O-N 3.06Å; Q237-N239 WeakPolarHBondContact CG-OD1 3.16Å; Q237-N239 PolarHBondContact NE2-OD1 2.85Å
240A89.7Confident93Very high18 Ų1847.5 Ų47.515%0.14928%0.283CS..PPolyproline II helixtrans-68.4136179.500000111.7V210 Y238 A244V210-A240 HydrophobicContact CG1-CB 4.26Å; Y238-A240 HydrophobicContact CD1-CB 4.5Å; Y238-A240 HydrophobicContact CD2-CB 4.07Å; Y238-A240 HydrophobicContact CE1-CB 3.92Å; Y238-A240 HydrophobicContact CE2-CB 3.39Å; A240-A244 HydrophobicContact CB-CB 3.97Å
241P85.6Confident93.2Very high98 Ų9847.6 Ų47.664%0.63628%0.283SS*.PPolyproline II helixtrans-61.2146.6174.4-21.833.3000112.1L131 P243 A244L131-P241 HydrophobicContact CD1-CG 4.3Å; P241-P243 CarbonylContact O-C 3.37Å; P241-A244 PolarHBondContact O-N 2.75Å
242A82.2Confident93.2Very high97 Ų9747.9 Ų47.980%0.80228%0.283SS*.SBendtrans-71.4138.9175.100000111.1
243P87.9Confident93.2Very high132 Ų13250.2 Ų50.286%0.85729%0.294SS*.SBendcis-77.6118.3-0.530.3-32.8000112.6P241P241-P243 CarbonylContact O-C 3.37Å
244A88.1Confident92.9Very high52 Ų5251.9 Ų51.943%0.4330%0.303SS..PPolyproline II helixtrans-83.2130.9-174.400000111.3Y238 A240 P241Y238-A244 HydrophobicContact CE1-CB 3.9Å; A240-A244 HydrophobicContact CB-CB 3.97Å; P241-A244 PolarHBondContact O-N 2.75Å
245P92.9Very high92.5Very high20 Ų2054.4 Ų54.413%0.1332%0.316CS..PPolyproline II helixtrans-61.3149.7173.7-23.533000112.5Y238 V282 K284 L285Y238-P245 WeakPolarHBondContact CE1-O 3.46Å; Y238-P245 WeakPolarHBondContact OH-CD 2.89Å; Y238-P245 PolarHBondContact OH-O 2.79Å; P245-V282 HydrophobicContact CB-CG1 3.92Å; P245-K284 HydrophobicContact CB-CB 3.97Å; P245-K284 HydrophobicContact CB-CD 4.19Å; P245-K284 HydrophobicContact CG-CB 4.26Å; P245-K284 HydrophobicContact CG-CD 3.93Å; P245-L285 HydrophobicContact CG-CG 4.41Å
246P93.6Very high92.3Very high98 Ų9856 Ų5664%0.63633%0.327SS*.PPolyproline II helixtrans-69148-177.928.5-35000112.7
247V95.6Very high92.3Very high16 Ų1658.8 Ų58.810%0.09734%0.341CS..PPolyproline II helixtrans-98.6130.4174.4-171.70000109.1Y238 Y249 A280 V282Y238-V247 HydrophobicContact CD1-CG2 3.52Å; Y238-V247 HydrophobicContact CD2-CG2 4.37Å; Y238-V247 HydrophobicContact CE1-CG2 3.68Å; Y238-V247 HydrophobicContact CG-CG2 3.88Å; V247-Y249 HydrophobicContact CB-CE2 4.05Å; V247-Y249 HydrophobicContact CG1-CD2 4.46Å; V247-Y249 HydrophobicContact CG1-CE1 4.23Å; V247-Y249 HydrophobicContact CG1-CE2 3.96Å; V247-A280 HydrophobicContact CG1-CB 3.94Å; V247-V282 HydrophobicContact CG1-CG2 4.48Å; V247-V282 HydrophobicContact CG2-CG2 4.02Å
248N96.7Very high92.3Very high46 Ų4656.7 Ų56.725%0.24633%0.333CS..EExtended strand (participates in β ladder)trans-102.4124.5173.3-68.9-3000109.7Y250 A261 K281N248-Y250 HydrophobicContact CB-CE2 3.95Å; N248-A261 HydrophobicContact CB-CB 4.3Å; N248-K281 PolarHBondContact N-O 2.85Å; N248-K281 PolarHBondContact O-N 3.08Å
249Y97Very high92.2Very high27 Ų2755.1 Ų55.111%0.10633%0.334CS..EExtended strand (participates in β ladder)trans-98.7143.1178.4-61-90.7000111C234 V236 V247 A261 T262 L264 N265 R279 A280C234-Y249 HydrophobicContact CB-CD1 3.88Å; C234-Y249 HydrophobicContact CB-CE1 4.3Å; V236-Y249 HydrophobicContact CB-CE1 4.45Å; V236-Y249 HydrophobicContact CG1-CE1 3.52Å; V236-Y249 WeakPolarHBondContact CG1-OH 3.25Å; V247-Y249 HydrophobicContact CB-CE2 4.05Å; V247-Y249 HydrophobicContact CG1-CD2 4.46Å; V247-Y249 HydrophobicContact CG1-CE1 4.23Å; V247-Y249 HydrophobicContact CG1-CE2 3.96Å; Y249-A261 WeakPolarHBondContact O-CA 3.41Å; Y249-T262 PolarHBondContact N-O 3.3Å; Y249-T262 PolarHBondContact O-N 3.4Å; Y249-L264 WeakPolarHBondContact CD2-O 3.5Å; Y249-N265 HydrophobicContact CD1-CB 4.27Å; Y249-N265 HydrophobicContact CD2-CB 4.37Å; Y249-N265 HydrophobicContact CE1-CB 3.81Å; Y249-N265 HydrophobicContact CE2-CB 3.95Å; Y249-R279 CarbonylContact C-O 3.54Å; Y249-R279 WeakPolarHBondContact CA-O 3.33Å; Y249-A280 HydrophobicContact CD1-CB 4.38Å; Y249-A280 HydrophobicContact CE1-CB 4.34Å
250Y96.6Very high92.2Very high37 Ų3758.6 Ų58.615%0.14536%0.359CS..EExtended strand (participates in β ladder)trans-133.6140.6175.4-56-104.2000108.2N248 L257 A261 C278 R279 K281N248-Y250 HydrophobicContact CB-CE2 3.95Å; Y250-L257 HydrophobicContact CD1-CD1 4.01Å; Y250-L257 HydrophobicContact CG-CD1 4.49Å; Y250-A261 HydrophobicContact CD1-CB 4.13Å; Y250-A261 HydrophobicContact CE1-CB 3.51Å; Y250-A261 HydrophobicContact CE2-CB 4.14Å; Y250-A261 VanDerWaalsContact CZ-CB 3.48Å; Y250-C278 CarbonylContact O-C 3.59Å; Y250-C278 WeakPolarHBondContact O-CA 3.05Å; Y250-R279 VanDerWaalsContact CE1-NH2 3.34Å; Y250-R279 PolarHBondContact N-O 3.38Å; Y250-R279 PolarHBondContact O-N 2.82Å; Y250-K281 HydrophobicContact CE2-CB 3.99Å
251F96.5Very high92.3Very high3 Ų359.8 Ų59.81%0.01337%0.368CS..EExtended strand (participates in β ladder)trans-122.5141-178-67.5-89.5000110.2L216 L232 C234 L258 M267 C278L216-F251 HydrophobicContact CD1-CD1 4.23Å; L216-F251 HydrophobicContact CD1-CE1 4.17Å; L232-F251 HydrophobicContact CB-CD1 3.77Å; L232-F251 HydrophobicContact CB-CE1 3.83Å; L232-F251 HydrophobicContact CD1-CB 4.49Å; L232-F251 HydrophobicContact CD1-CD1 4.18Å; C234-F251 HydrophobicContact CB-CE1 3.86Å; C234-F251 HydrophobicContact CB-CZ 3.91Å; F251-L258 HydrophobicContact CB-CD1 4.19Å; F251-L258 WeakPolarHBondContact O-CB 3.38Å; F251-L258 PolarHBondContact O-N 3.38Å; F251-M267 HydrophobicContact CB-CE 3.37Å; F251-M267 HydrophobicContact CB-SD 3.96Å; F251-M267 HydrophobicContact CD2-CB 3.65Å; F251-M267 HydrophobicContact CD2-CE 4.21Å; F251-M267 HydrophobicContact CD2-CG 4.38Å; F251-M267 HydrophobicContact CD2-SD 3.86Å; F251-M267 HydrophobicContact CE2-CB 3.71Å; F251-M267 HydrophobicContact CG-CB 4.08Å; F251-M267 HydrophobicContact CG-CE 3.88Å; F251-M267 HydrophobicContact CG-SD 4.15Å; F251-M267 HydrophobicContact CZ-CB 4.18Å; F251-C278 HydrophobicContact CD1-CB 3.96Å; F251-C278 HydrophobicContact CE1-CB 4.06Å
252Y95.3Very high92.6Very high18 Ų1856.9 Ų56.97%0.07135%0.349CS..EExtended strand (participates in β ladder)trans-128.6149.8-173.9-61.2-98.5000111.1N256 L257 Y276 S277 R279 W290Y252-N256 CarbonylContact C-O 3.53Å; Y252-N256 WeakPolarHBondContact CA-O 3.48Å; Y252-L257 HydrophobicContact CD1-CB 4.25Å; Y252-L257 HydrophobicContact CD1-CD1 4.35Å; Y252-L257 HydrophobicContact CE1-CB 3.98Å; Y252-L257 HydrophobicContact CE1-CD1 3.8Å; Y252-L257 HydrophobicContact CE1-CG 4.5Å; Y252-L257 HydrophobicContact CE2-CD1 4.18Å; Y252-Y276 VanDerWaalsContact O-CA 3.31Å; Y252-Y276 WeakPolarHBondContact O-CA 3.34Å; Y252-S277 PolarHBondContact N-O 3.16Å; Y252-S277 PolarHBondContact O-N 2.62Å; Y252-R279 HydrophobicContact CE2-CB 3.95Å; Y252-R279 PolarHBondContact OH-NE 2.97Å; Y252-R279 PolarHBondContact OH-NH1 3Å; Y252-R279 VanDerWaalsContact OH-NH1 3.11Å; Y252-R279 PolarHBondContact OH-NH2 3.11Å; Y252-W290 HydrophobicContact CD1-CZ3 4.45Å; Y252-W290 HydrophobicContact CD2-CH2 4.23Å; Y252-W290 AromaticContact CD2-CZ3 3.58Å; Y252-W290 HydrophobicContact CD2-CZ3 3.58Å; Y252-W290 AromaticContact CE1-CH2 3.98Å; Y252-W290 HydrophobicContact CE1-CH2 3.98Å; Y252-W290 HydrophobicContact CE1-CZ3 4.26Å; Y252-W290 HydrophobicContact CE2-CE3 4.36Å; Y252-W290 AromaticContact CE2-CH2 3.64Å; Y252-W290 HydrophobicContact CE2-CH2 3.64Å; Y252-W290 AromaticContact CE2-CZ3 3.36Å; Y252-W290 HydrophobicContact CE2-CZ3 3.36Å; Y252-W290 HydrophobicContact CG-CZ3 4.15Å; Y252-W290 AromaticContact CZ-CH2 3.51Å; Y252-W290 AromaticContact CZ-CZ3 3.74Å
253K94.6Very high93Very high50 Ų5056.9 Ų56.922%0.21734%0.343CS..EExtended strand (participates in β ladder)trans-129.1121.8166.5-176.3-171.5-175.2-167.30109N255 N256 L258 S273 W275 Y276K253-N255 PolarHBondContact O-N 2.87Å; K253-N256 PolarHBondContact N-O 2.92Å; K253-N256 WeakPolarHBondContact O-CB 3.18Å; K253-N256 PolarHBondContact O-N 3.45Å; K253-L258 HydrophobicContact CB-CD1 4.03Å; K253-L258 HydrophobicContact CB-CD2 3.71Å; K253-L258 HydrophobicContact CB-CG 4Å; K253-S273 WeakPolarHBondContact CE-O 3.15Å; K253-S273 PolarHBondContact NZ-O 2.89Å; K253-W275 CarbonylContact C-O 3.49Å; K253-W275 WeakPolarHBondContact CA-O 3.38Å; K253-Y276 HydrophobicContact CB-CD1 4.16Å; K253-Y276 HydrophobicContact CB-CE1 3.86Å; K253-Y276 HydrophobicContact CD-CE1 4.11Å; K253-Y276 WeakPolarHBondContact CD-OH 3.45Å; K253-Y276 WeakPolarHBondContact CE-OH 3.49Å; K253-Y276 HydrophobicContact CG-CD1 4.38Å; K253-Y276 HydrophobicContact CG-CE1 3.85Å; K253-Y276 HydrophobicContact CG-CE2 4.28Å
254N91.1Very high93.3Very high61 Ų6155.3 Ų55.333%0.32633%0.327SS..THydrogen-bonded Turntrans49.744.9-176.3-56.1-25.8000111.4N256 G274 W275N254-N256 PolarHBondContact O-N 2.9Å; N254-N256 VanDerWaalsContact O-N 3.14Å; N254-N256 PolarHBondContact O-ND2 3.11Å; N254-G274 WeakPolarHBondContact OD1-CA 3.46Å; N254-W275 PolarHBondContact N-O 2.86Å; N254-W275 PolarHBondContact OD1-N 3.37Å
255N88.9Confident93.6Very high54 Ų5455.5 Ų55.529%0.28932%0.321SS..THydrogen-bonded Turntrans63.23.3-173-71.1-8000117.4K253 L304 M305K253-N255 PolarHBondContact O-N 2.87Å; N255-L304 WeakPolarHBondContact ND2-CB 3.48Å; N255-L304 PolarHBondContact ND2-O 3.22Å; N255-L304 PolarHBondContact OD1-O 3.05Å; N255-M305 PolarHBondContact ND2-O 3.13Å; N255-M305 VanDerWaalsContact ND2-O 3.09Å
256N92.3Very high93.7Very high113 Ų11357.3 Ų57.360%0.60433%0.327SS*.EExtended strand (participates in β ladder)trans-89.4133.6172.5-61.1-60.4000110.7Y252 K253 N254 L258Y252-N256 CarbonylContact C-O 3.53Å; Y252-N256 WeakPolarHBondContact CA-O 3.48Å; K253-N256 PolarHBondContact N-O 2.92Å; K253-N256 WeakPolarHBondContact O-CB 3.18Å; K253-N256 PolarHBondContact O-N 3.45Å; N254-N256 PolarHBondContact O-N 2.9Å; N254-N256 VanDerWaalsContact O-N 3.14Å; N254-N256 PolarHBondContact O-ND2 3.11Å; N256-L258 PolarHBondContact O-N 3.04Å
257L94.7Very high93.7Very high88 Ų8854 Ų5446%0.46130%0.304SS..EExtended strand (participates in β ladder)trans-67.6128.5176.9-17669.3000109.8Y250 Y252 G259Y250-L257 HydrophobicContact CD1-CD1 4.01Å; Y250-L257 HydrophobicContact CG-CD1 4.49Å; Y252-L257 HydrophobicContact CD1-CB 4.25Å; Y252-L257 HydrophobicContact CD1-CD1 4.35Å; Y252-L257 HydrophobicContact CE1-CB 3.98Å; Y252-L257 HydrophobicContact CE1-CD1 3.8Å; Y252-L257 HydrophobicContact CE1-CG 4.5Å; Y252-L257 HydrophobicContact CE2-CD1 4.18Å; L257-G259 WeakPolarHBondContact CD1-O 3.18Å; L257-G259 VanDerWaalsContact CD2-O 3.25Å; L257-G259 WeakPolarHBondContact CD2-O 3.44Å; L257-G259 WeakPolarHBondContact CG-O 3.38Å
258L94.2Very high93.6Very high67 Ų6757.9 Ų57.935%0.35132%0.321SS..  trans-85.1-16-176.4-72.7167.4000113.7L232 F251 K253 N256 M267 V269 Y276L232-L258 HydrophobicContact CD1-CD1 3.93Å; F251-L258 HydrophobicContact CB-CD1 4.19Å; F251-L258 WeakPolarHBondContact O-CB 3.38Å; F251-L258 PolarHBondContact O-N 3.38Å; K253-L258 HydrophobicContact CB-CD1 4.03Å; K253-L258 HydrophobicContact CB-CD2 3.71Å; K253-L258 HydrophobicContact CB-CG 4Å; N256-L258 PolarHBondContact O-N 3.04Å; L258-M267 HydrophobicContact CB-CE 3.42Å; L258-M267 VanDerWaalsContact CB-CE 3.42Å; L258-M267 HydrophobicContact CB-SD 4.32Å; L258-M267 HydrophobicContact CD1-CE 3.55Å; L258-M267 HydrophobicContact CG-CE 4.12Å; L258-V269 HydrophobicContact CD1-CG1 4.25Å; L258-Y276 HydrophobicContact CD1-CD1 4.14Å; L258-Y276 HydrophobicContact CD1-CE1 4.06Å
259G91.6Very high93.5Very high23 Ų2356.6 Ų56.624%0.23732%0.315CS..SBendtrans-179.7-179.8-178.300000113.3L257L257-G259 WeakPolarHBondContact CD1-O 3.18Å; L257-G259 VanDerWaalsContact CD2-O 3.25Å; L257-G259 WeakPolarHBondContact CD2-O 3.44Å; L257-G259 WeakPolarHBondContact CG-O 3.38Å
260P92.3Very high93.3Very high112 Ų11260.7 Ų60.773%0.72734%0.338SS*.SBendtrans-64.6168.217530.3-35.6000111.6T262P260-T262 PolarHBondContact O-N 3.07Å
261A90.5Very high93Very high43 Ų4362.7 Ų62.736%0.35535%0.348SS..  trans-61.5135175.500000111.2N248 Y249 Y250N248-A261 HydrophobicContact CB-CB 4.3Å; Y249-A261 WeakPolarHBondContact O-CA 3.41Å; Y250-A261 HydrophobicContact CD1-CB 4.13Å; Y250-A261 HydrophobicContact CE1-CB 3.51Å; Y250-A261 HydrophobicContact CE2-CB 4.14Å; Y250-A261 VanDerWaalsContact CZ-CB 3.48Å
262T91.8Very high92.8Very high37 Ų3764.1 Ų64.123%0.22736%0.36CS..BIsolated β-bridgetrans-110.9147.8177.260.70000110.8Y249 P260 L264Y249-T262 PolarHBondContact N-O 3.3Å; Y249-T262 PolarHBondContact O-N 3.4Å; P260-T262 PolarHBondContact O-N 3.07Å; T262-L264 VanDerWaalsContact C-N 3.34Å; T262-L264 PolarHBondContact OG1-O 3.17Å
263S91.4Very high92.7Very high98 Ų9866.3 Ų66.369%0.68538%0.378SS*.SBendtrans-80.1-21.916753.50000112.1
264L93.5Very high92.7Very high99 Ų9964 Ų6452%0.51837%0.368SS..SBendtrans-80.1139.3174.6-63.3173.7000110.2Y249 T262 H266Y249-L264 WeakPolarHBondContact CD2-O 3.5Å; T262-L264 VanDerWaalsContact C-N 3.34Å; T262-L264 PolarHBondContact OG1-O 3.17Å; L264-H266 PolarHBondContact O-N 3.25Å; L264-H266 VanDerWaalsContact O-N 3.16Å
265N94.5Very high92.8Very high56 Ų5663.6 Ų63.630%0.29936%0.362SS..SBendtrans-76.711176.875.6-32.3000113.2I233 C234 Y249I233-N265 CarbonylContact C-O 3.58Å; I233-N265 WeakPolarHBondContact CA-O 3.26Å; C234-N265 PolarHBondContact N-O 2.03Å; Y249-N265 HydrophobicContact CD1-CB 4.27Å; Y249-N265 HydrophobicContact CD2-CB 4.37Å; Y249-N265 HydrophobicContact CE1-CB 3.81Å; Y249-N265 HydrophobicContact CE2-CB 3.95Å
266H94.7Very high93.1Very high57 Ų5761.1 Ų61.126%0.26435%0.349SS..EExtended strand (participates in β ladder)trans-139.9158-179.166.8-87.5000112.1L232 I233 L264L232-H266 CarbonylContact O-C 3.44Å; L232-H266 WeakPolarHBondContact O-CA 3.43Å; L232-H266 WeakPolarHBondContact O-CB 3.4Å; I233-H266 HydrophobicContact CB-CB 4.5Å; I233-H266 HydrophobicContact CG1-CB 4.07Å; L264-H266 PolarHBondContact O-N 3.25Å; L264-H266 VanDerWaalsContact O-N 3.16Å
267M94.1Very high93.3Very high29 Ų2955.8 Ų55.814%0.14332%0.321CS..EExtended strand (participates in β ladder)trans-151.2133.9180-173.2-179.178.200111.8N231 L232 F251 L258 V269N231-M267 PolarHBondContact OD1-O 3.35Å; L232-M267 HydrophobicContact CD1-CE 4.15Å; L232-M267 PolarHBondContact N-O 2.87Å; L232-M267 PolarHBondContact O-N 3.3Å; F251-M267 HydrophobicContact CB-CE 3.37Å; F251-M267 HydrophobicContact CB-SD 3.96Å; F251-M267 HydrophobicContact CD2-CB 3.65Å; F251-M267 HydrophobicContact CD2-CE 4.21Å; F251-M267 HydrophobicContact CD2-CG 4.38Å; F251-M267 HydrophobicContact CD2-SD 3.86Å; F251-M267 HydrophobicContact CE2-CB 3.71Å; F251-M267 HydrophobicContact CG-CB 4.08Å; F251-M267 HydrophobicContact CG-CE 3.88Å; F251-M267 HydrophobicContact CG-SD 4.15Å; F251-M267 HydrophobicContact CZ-CB 4.18Å; L258-M267 HydrophobicContact CB-CE 3.42Å; L258-M267 VanDerWaalsContact CB-CE 3.42Å; L258-M267 HydrophobicContact CB-SD 4.32Å; L258-M267 HydrophobicContact CD1-CE 3.55Å; L258-M267 HydrophobicContact CG-CE 4.12Å; M267-V269 HydrophobicContact CE-CG1 3.29Å; M267-V269 HydrophobicContact CG-CG1 4.4Å
268H93.8Very high93.3Very high97 Ų9751.6 Ų51.645%0.44930%0.299SS..EExtended strand (participates in β ladder)trans-86.2129.5177.4-54.7115.8000111.3L225L225-H268 HydrophobicContact CD2-CB 4.11Å; L225-H268 WeakPolarHBondContact CD2-CD2 3.44Å
269V93.4Very high93.4Very high20 Ų2051 Ų5112%0.12129%0.292CS..EExtended strand (participates in β ladder)trans-137.1159.2179.5-61.40000111.5K229 M230 L232 L258 M267K229-V269 CarbonylContact C-O 3.57Å; K229-V269 VanDerWaalsContact CA-O 3.26Å; K229-V269 WeakPolarHBondContact CA-O 3.08Å; M230-V269 HydrophobicContact CE-CG2 3.47Å; M230-V269 VanDerWaalsContact CE-CG2 3.47Å; M230-V269 HydrophobicContact CG-CG2 3.53Å; M230-V269 PolarHBondContact N-O 2.81Å; M230-V269 PolarHBondContact O-N 2.86Å; M230-V269 HydrophobicContact SD-CG2 4.36Å; L232-V269 HydrophobicContact CD1-CG1 4.11Å; L232-V269 HydrophobicContact CD1-CG2 3.96Å; L232-V269 HydrophobicContact CD2-CG2 4.43Å; L232-V269 HydrophobicContact CG-CG2 3.9Å; L258-V269 HydrophobicContact CD1-CG1 4.25Å; M267-V269 HydrophobicContact CE-CG1 3.29Å; M267-V269 HydrophobicContact CG-CG1 4.4Å
270N93Very high93.6Very high112 Ų11249.9 Ų49.960%0.59928%0.28SS*.EExtended strand (participates in β ladder)trans-69.2140.5169.9-66-28.9000110N228 A272N228-N270 CarbonylContact O-C 3.52Å; N228-N270 WeakPolarHBondContact O-CA 3.5Å; N270-A272 PolarHBondContact O-N 2.85Å
271K91.9Very high93.8Very high79 Ų7947.5 Ų47.534%0.34326%0.259SS..  trans-60.1117.9173.5-72.3179.1177.3171.90108.7K220 R227 N228 K229 M230 F296K220-K271 WeakPolarHBondContact O-CE 3.49Å; K220-K271 PolarHBondContact O-NZ 2.82Å; R227-K271 WeakPolarHBondContact O-CE 3.21Å; R227-K271 PolarHBondContact O-NZ 3.18Å; N228-K271 PolarHBondContact O-N 2.79Å; K229-K271 WeakPolarHBondContact O-CE 3.4Å; M230-K271 HydrophobicContact CB-CG 4.03Å; M230-K271 HydrophobicContact CG-CG 4.25Å; M230-K271 HydrophobicContact SD-CG 4.38Å; K271-F296 HydrophobicContact CB-CE1 4.08Å; K271-F296 HydrophobicContact CB-CZ 4.22Å; K271-F296 HydrophobicContact CD-CZ 4.48Å; K271-F296 HydrophobicContact CG-CE1 4.44Å; K271-F296 HydrophobicContact CG-CZ 4.13Å
272A92.1Very high94Very high34 Ų3445.5 Ų45.528%0.28124%0.242SC..  trans-155.6138.2177.900000109.8N270 Y276 F296N270-A272 PolarHBondContact O-N 2.85Å; A272-Y276 WeakPolarHBondContact O-CE2 3.14Å; A272-Y276 PolarHBondContact O-OH 2.82Å; A272-F296 WeakPolarHBondContact O-CD1 3.35Å
273S93.2Very high94Very high63 Ų6346.7 Ų46.744%0.44125%0.25SS..  trans-62.7145.7-179.1-51.20000112K253 F296 E298K253-S273 WeakPolarHBondContact CE-O 3.15Å; K253-S273 PolarHBondContact NZ-O 2.89Å; S273-F296 CarbonylContact C-O 3.56Å; S273-F296 WeakPolarHBondContact CA-O 3.33Å; S273-E298 WeakPolarHBondContact CB-O 3.48Å
274G92.9Very high94Very high1 Ų150.6 Ų50.61%0.0126%0.255CS..EExtended strand (participates in β ladder)trans155.7178.9176.500000114.1N254 Y276 S295 F296N254-G274 WeakPolarHBondContact OD1-CA 3.46Å; G274-Y276 WeakPolarHBondContact O-CD2 3.17Å; G274-S295 WeakPolarHBondContact O-CA 3.37Å; G274-F296 PolarHBondContact N-O 2.94Å; G274-F296 PolarHBondContact O-N 2.93Å
275W93.8Very high93.8Very high53 Ų5349.7 Ų49.720%0.20125%0.25CS..EExtended strand (participates in β ladder)trans-91.1121.1173.5-66.8104.6000109.9K253 N254 P293 V299 G301 P303K253-W275 CarbonylContact C-O 3.49Å; K253-W275 WeakPolarHBondContact CA-O 3.38Å; N254-W275 PolarHBondContact N-O 2.86Å; N254-W275 PolarHBondContact OD1-N 3.37Å; W275-P293 HydrophobicContact CE3-CB 4.09Å; W275-V299 HydrophobicContact CG-CG1 4.31Å; W275-G301 WeakPolarHBondContact CZ2-O 3.37Å; W275-G301 PolarHBondContact NE1-O 2.87Å; W275-P303 HydrophobicContact CD2-CB 3.68Å; W275-P303 HydrophobicContact CE3-CB 3.76Å; W275-P303 HydrophobicContact CE3-CG 4.37Å; W275-P303 HydrophobicContact CG-CB 4.09Å; W275-P303 HydrophobicContact CH2-CB 4.44Å; W275-P303 HydrophobicContact CH2-CG 4.33Å; W275-P303 HydrophobicContact CZ2-CB 4.38Å; W275-P303 HydrophobicContact CZ3-CB 4.13Å; W275-P303 HydrophobicContact CZ3-CG 4.25Å
276Y95.1Very high93.7Very high2 Ų253 Ų531%0.00827%0.268CS..EExtended strand (participates in β ladder)trans-108.2141.2178.8-68.8-93.7000110.6L216 I218 M230 L232 Y252 K253 L258 A272 G274 P293 R294 F296L216-Y276 VanDerWaalsContact CD2-O 3.27Å; L216-Y276 WeakPolarHBondContact CD2-O 3.36Å; I218-Y276 HydrophobicContact CD1-CD2 4.1Å; I218-Y276 HydrophobicContact CD1-CG 4.3Å; M230-Y276 HydrophobicContact CE-CD1 4.42Å; M230-Y276 HydrophobicContact CE-CD2 4.43Å; M230-Y276 HydrophobicContact CE-CE1 3.65Å; M230-Y276 HydrophobicContact CE-CE2 3.69Å; M230-Y276 WeakPolarHBondContact CE-OH 3.39Å; L232-Y276 HydrophobicContact CD1-CD1 3.55Å; L232-Y276 HydrophobicContact CD1-CE1 3.96Å; L232-Y276 HydrophobicContact CD1-CG 4.49Å; L232-Y276 HydrophobicContact CD2-CD1 4.01Å; L232-Y276 HydrophobicContact CD2-CE1 4.49Å; L232-Y276 HydrophobicContact CD2-CG 4.3Å; L232-Y276 HydrophobicContact CG-CD1 4.44Å; Y252-Y276 VanDerWaalsContact O-CA 3.31Å; Y252-Y276 WeakPolarHBondContact O-CA 3.34Å; K253-Y276 HydrophobicContact CB-CD1 4.16Å; K253-Y276 HydrophobicContact CB-CE1 3.86Å; K253-Y276 HydrophobicContact CD-CE1 4.11Å; K253-Y276 WeakPolarHBondContact CD-OH 3.45Å; K253-Y276 WeakPolarHBondContact CE-OH 3.49Å; K253-Y276 HydrophobicContact CG-CD1 4.38Å; K253-Y276 HydrophobicContact CG-CE1 3.85Å; K253-Y276 HydrophobicContact CG-CE2 4.28Å; L258-Y276 HydrophobicContact CD1-CD1 4.14Å; L258-Y276 HydrophobicContact CD1-CE1 4.06Å; A272-Y276 WeakPolarHBondContact O-CE2 3.14Å; A272-Y276 PolarHBondContact O-OH 2.82Å; G274-Y276 WeakPolarHBondContact O-CD2 3.17Å; Y276-P293 CarbonylContact O-C 3.5Å; Y276-P293 VanDerWaalsContact O-CA 3.29Å; Y276-P293 WeakPolarHBondContact O-CA 3.37Å; Y276-R294 PolarHBondContact N-O 3.24Å; Y276-R294 PolarHBondContact O-N 2.79Å; Y276-F296 HydrophobicContact CD2-CB 4.06Å; Y276-F296 HydrophobicContact CE2-CB 3.96Å
277S95.9Very high93.6Very high2 Ų252.3 Ų52.31%0.01427%0.266CS..EExtended strand (participates in β ladder)trans-144.2161.2171.861.90000110.3Y252Y252-S277 PolarHBondContact N-O 3.16Å; Y252-S277 PolarHBondContact O-N 2.62Å
278C96.1Very high93.6Very high0 Ų052.8 Ų52.80%027%0.27CS..EExtended strand (participates in β ladder)trans-125.4157.7171.168.90000112L216 C234 Y250 F251 S291L216-C278 HydrophobicContact CD1-CB 4.07Å; C234-C278 HydrophobicContact CB-CB 3.59Å; C234-C278 WeakPolarHBondContact CB-SG 3.31Å; C234-C278 WeakPolarHBondContact SG-CB 3.44Å; C234-C278 CovalentContact SG-SG 2.04Å; C234-C278 PolarHBondContact SG-SG 2.8Å; Y250-C278 CarbonylContact O-C 3.59Å; Y250-C278 WeakPolarHBondContact O-CA 3.05Å; F251-C278 HydrophobicContact CD1-CB 3.96Å; F251-C278 HydrophobicContact CE1-CB 4.06Å; C278-S291 PolarHBondContact N-OG 2.79Å; C278-S291 PolarHBondContact O-N 2.84Å
279R95.6Very high93.6Very high54 Ų5452.7 Ų52.720%0.20427%0.266CS..EExtended strand (participates in β ladder)trans-130.7127.7175.9179.9-177.675.5-172.1-0.8109.3Y249 Y250 Y252 V288 R289 W290Y249-R279 CarbonylContact C-O 3.54Å; Y249-R279 WeakPolarHBondContact CA-O 3.33Å; Y250-R279 VanDerWaalsContact CE1-NH2 3.34Å; Y250-R279 PolarHBondContact N-O 3.38Å; Y250-R279 PolarHBondContact O-N 2.82Å; Y252-R279 HydrophobicContact CE2-CB 3.95Å; Y252-R279 PolarHBondContact OH-NE 2.97Å; Y252-R279 PolarHBondContact OH-NH1 3Å; Y252-R279 VanDerWaalsContact OH-NH1 3.11Å; Y252-R279 PolarHBondContact OH-NH2 3.11Å; R279-V288 HydrophobicContact CG-CG1 3.61Å; R279-R289 CarbonylContact C-O 3.5Å; R279-R289 VanDerWaalsContact CA-O 3.32Å; R279-R289 WeakPolarHBondContact CA-O 3.43Å; R279-W290 HydrophobicContact CB-CD2 3.89Å; R279-W290 HydrophobicContact CB-CE3 3.73Å; R279-W290 HydrophobicContact CB-CH2 4.33Å; R279-W290 HydrophobicContact CB-CZ2 4.48Å; R279-W290 HydrophobicContact CB-CZ3 3.95Å; R279-W290 VanDerWaalsContact CD-CE2 3.43Å; R279-W290 HydrophobicContact CG-CD2 3.93Å; R279-W290 HydrophobicContact CG-CE3 4.29Å; R279-W290 HydrophobicContact CG-CG 4.37Å; R279-W290 HydrophobicContact CG-CZ2 4.26Å
280A96.6Very high93.7Very high0 Ų053.7 Ų53.70%027%0.267CS..EExtended strand (participates in β ladder)trans-101.9130.6170.200000109.1L211 V236 V247 Y249 V288 R289L211-A280 HydrophobicContact CD2-CB 4.05Å; V236-A280 HydrophobicContact CG1-CB 4.45Å; V236-A280 HydrophobicContact CG2-CB 4.25Å; V247-A280 HydrophobicContact CG1-CB 3.94Å; Y249-A280 HydrophobicContact CD1-CB 4.38Å; Y249-A280 HydrophobicContact CE1-CB 4.34Å; A280-V288 WeakPolarHBondContact O-CA 3.15Å; A280-R289 PolarHBondContact N-O 3.32Å; A280-R289 PolarHBondContact O-N 3.29Å
281K95.3Very high93.9Very high62 Ų6248.4 Ų48.427%0.2724%0.239SC..EExtended strand (participates in β ladder)trans-126.9133.5177177166.8-172.8175.90109.9N248 Y250 P283 I287 V288N248-K281 PolarHBondContact N-O 2.85Å; N248-K281 PolarHBondContact O-N 3.08Å; Y250-K281 HydrophobicContact CE2-CB 3.99Å; K281-P283 HydrophobicContact CG-CG 4.41Å; K281-P283 WeakPolarHBondContact O-CD 3.1Å; K281-I287 CarbonylContact C-O 3.53Å; K281-I287 WeakPolarHBondContact CA-O 3.28Å; K281-V288 HydrophobicContact CB-CG2 4.16Å; K281-V288 HydrophobicContact CD-CG2 3.91Å; K281-V288 HydrophobicContact CG-CG2 3.82Å
282V95.1Very high93.9Very high0 Ų050.6 Ų50.60%025%0.251CS..EExtended strand (participates in β ladder)trans-108.196.3169.3-176.40000107.8L211 Y238 P245 V247 K284 L285 D286 I287L211-V282 HydrophobicContact CD1-CG2 4.33Å; L211-V282 HydrophobicContact CD2-CG2 4.19Å; Y238-V282 HydrophobicContact CD2-CG2 4.48Å; Y238-V282 HydrophobicContact CE2-CG2 3.84Å; Y238-V282 WeakPolarHBondContact OH-CG1 3.35Å; P245-V282 HydrophobicContact CB-CG1 3.92Å; V247-V282 HydrophobicContact CG1-CG2 4.48Å; V247-V282 HydrophobicContact CG2-CG2 4.02Å; V282-K284 VanDerWaalsContact C-N 3.31Å; V282-K284 PolarHBondContact O-N 3.48Å; V282-L285 HydrophobicContact CB-CB 4.41Å; V282-L285 HydrophobicContact CG1-CB 4.02Å; V282-L285 HydrophobicContact CG1-CD1 3.91Å; V282-L285 HydrophobicContact CG1-CG 3.83Å; V282-L285 PolarHBondContact O-N 2.78Å; V282-L285 VanDerWaalsContact O-N 3.17Å; V282-D286 PolarHBondContact O-N 3.47Å; V282-D286 VanDerWaalsContact O-N 3.07Å; V282-I287 PolarHBondContact N-O 2.91Å; V282-I287 PolarHBondContact O-N 2.8Å
283P92.3Very high94Very high63 Ų6350.2 Ų50.241%0.40925%0.245SC..G310 helixtrans-59.1-38.8-169.4-25.634.8000113.9K281 L285 D286K281-P283 HydrophobicContact CG-CG 4.41Å; K281-P283 WeakPolarHBondContact O-CD 3.1Å; P283-L285 VanDerWaalsContact C-N 3.27Å; P283-L285 PolarHBondContact O-N 3.41Å; P283-D286 PolarHBondContact O-N 2.79Å
284K91.9Very high94Very high180 Ų18053.1 Ų53.178%0.78325%0.247SC*.G310 helixtrans-67.4-26.5-177.5-166.6177.4179.7-176.30113.3P245 V282P245-K284 HydrophobicContact CB-CB 3.97Å; P245-K284 HydrophobicContact CB-CD 4.19Å; P245-K284 HydrophobicContact CG-CB 4.26Å; P245-K284 HydrophobicContact CG-CD 3.93Å; V282-K284 VanDerWaalsContact C-N 3.31Å; V282-K284 PolarHBondContact O-N 3.48Å
285L89.1Confident94Very high80 Ų8056 Ų5642%0.41927%0.266SS..G310 helixtrans-102.8-4-179.7-57-178.6000112.4V210 P245 V282 P283 I287V210-L285 HydrophobicContact CG1-CD1 4.07Å; P245-L285 HydrophobicContact CG-CG 4.41Å; V282-L285 HydrophobicContact CB-CB 4.41Å; V282-L285 HydrophobicContact CG1-CB 4.02Å; V282-L285 HydrophobicContact CG1-CD1 3.91Å; V282-L285 HydrophobicContact CG1-CG 3.83Å; V282-L285 PolarHBondContact O-N 2.78Å; V282-L285 VanDerWaalsContact O-N 3.17Å; P283-L285 VanDerWaalsContact C-N 3.27Å; P283-L285 PolarHBondContact O-N 3.41Å; L285-I287 HydrophobicContact CB-CD1 3.8Å; L285-I287 HydrophobicContact CB-CG1 3.84Å; L285-I287 HydrophobicContact CD1-CD1 4.06Å; L285-I287 WeakPolarHBondContact O-CG1 3.4Å; L285-I287 PolarHBondContact O-N 2.92Å
286D91.6Very high93.9Very high125 Ų12555.3 Ų55.367%0.66827%0.265SS*.THydrogen-bonded Turntrans5131.5-171.1-157.233.3000114.6V282 P283V282-D286 PolarHBondContact O-N 3.47Å; V282-D286 VanDerWaalsContact O-N 3.07Å; P283-D286 PolarHBondContact O-N 2.79Å
287I92.3Very high93.6Very high43 Ų4357.6 Ų57.622%0.22129%0.29CS..EExtended strand (participates in β ladder)trans-93.6131.2178.2-58.2173.2000109.3V210 L211 K281 V282 L285V210-I287 HydrophobicContact CB-CD1 4.1Å; V210-I287 HydrophobicContact CG1-CD1 4.02Å; L211-I287 HydrophobicContact CB-CG2 3.9Å; L211-I287 HydrophobicContact CD2-CG2 3.94Å; K281-I287 CarbonylContact C-O 3.53Å; K281-I287 WeakPolarHBondContact CA-O 3.28Å; V282-I287 PolarHBondContact N-O 2.91Å; V282-I287 PolarHBondContact O-N 2.8Å; L285-I287 HydrophobicContact CB-CD1 3.8Å; L285-I287 HydrophobicContact CB-CG1 3.84Å; L285-I287 HydrophobicContact CD1-CD1 4.06Å; L285-I287 WeakPolarHBondContact O-CG1 3.4Å; L285-I287 PolarHBondContact O-N 2.92Å
288V94.1Very high93.1Very high38 Ų3866 Ų6623%0.2333%0.329CS..EExtended strand (participates in β ladder)trans-132.2130.4176.1-177.80000110R279 A280 K281R279-V288 HydrophobicContact CG-CG1 3.61Å; A280-V288 WeakPolarHBondContact O-CA 3.15Å; K281-V288 HydrophobicContact CB-CG2 4.16Å; K281-V288 HydrophobicContact CD-CG2 3.91Å; K281-V288 HydrophobicContact CG-CG2 3.82Å
289R95.3Very high92.6Very high95 Ų9568.1 Ų68.136%0.35834%0.342SS..EExtended strand (participates in β ladder)trans-130.5141.3174.5-68.3-66.7-169.1-13412.1110.9E209 L211 P214 R279 A280E209-R289 IonicContact OE1-CZ 3.24Å; E209-R289 IonicContact OE1-NE 3.66Å; E209-R289 IonicContact OE1-NH2 2.62Å; E209-R289 PolarHBondContact OE1-NH2 2.99Å; L211-R289 HydrophobicContact CB-CG 4.45Å; L211-R289 HydrophobicContact CD2-CB 4.09Å; L211-R289 HydrophobicContact CD2-CG 3.96Å; L211-R289 HydrophobicContact CG-CG 4.21Å; P214-R289 HydrophobicContact CG-CB 4.31Å; R279-R289 CarbonylContact C-O 3.5Å; R279-R289 VanDerWaalsContact CA-O 3.32Å; R279-R289 WeakPolarHBondContact CA-O 3.43Å; A280-R289 PolarHBondContact N-O 3.32Å; A280-R289 PolarHBondContact O-N 3.29Å
290W95.6Very high91.6Very high41 Ų4172.1 Ų72.116%0.15537%0.372CS..EExtended strand (participates in β ladder)trans-113.1145.6-179.9-70.590.3000110.5Y252 R279 P306Y252-W290 HydrophobicContact CD1-CZ3 4.45Å; Y252-W290 HydrophobicContact CD2-CH2 4.23Å; Y252-W290 AromaticContact CD2-CZ3 3.58Å; Y252-W290 HydrophobicContact CD2-CZ3 3.58Å; Y252-W290 AromaticContact CE1-CH2 3.98Å; Y252-W290 HydrophobicContact CE1-CH2 3.98Å; Y252-W290 HydrophobicContact CE1-CZ3 4.26Å; Y252-W290 HydrophobicContact CE2-CE3 4.36Å; Y252-W290 AromaticContact CE2-CH2 3.64Å; Y252-W290 HydrophobicContact CE2-CH2 3.64Å; Y252-W290 AromaticContact CE2-CZ3 3.36Å; Y252-W290 HydrophobicContact CE2-CZ3 3.36Å; Y252-W290 HydrophobicContact CG-CZ3 4.15Å; Y252-W290 AromaticContact CZ-CH2 3.51Å; Y252-W290 AromaticContact CZ-CZ3 3.74Å; R279-W290 HydrophobicContact CB-CD2 3.89Å; R279-W290 HydrophobicContact CB-CE3 3.73Å; R279-W290 HydrophobicContact CB-CH2 4.33Å; R279-W290 HydrophobicContact CB-CZ2 4.48Å; R279-W290 HydrophobicContact CB-CZ3 3.95Å; R279-W290 VanDerWaalsContact CD-CE2 3.43Å; R279-W290 HydrophobicContact CG-CD2 3.93Å; R279-W290 HydrophobicContact CG-CE3 4.29Å; R279-W290 HydrophobicContact CG-CG 4.37Å; R279-W290 HydrophobicContact CG-CZ2 4.26Å; W290-P306 HydrophobicContact CD2-CB 4.09Å; W290-P306 HydrophobicContact CE3-CB 3.91Å; W290-P306 HydrophobicContact CE3-CG 4.44Å; W290-P306 HydrophobicContact CH2-CB 4.39Å; W290-P306 HydrophobicContact CZ3-CB 4.08Å
291S96Very high90.4Very high2 Ų274.5 Ų74.51%0.01440%0.397CS..PPolyproline II helixtrans-80.5157.9169.878.50000109.9P214 C278P214-S291 WeakPolarHBondContact O-CA 3.25Å; P214-S291 WeakPolarHBondContact O-CB 3.43Å; C278-S291 PolarHBondContact N-OG 2.79Å; C278-S291 PolarHBondContact O-N 2.84Å
292E93.1Very high89.4Confident124 Ų12477 Ų7758%0.57942%0.42SS*.PPolyproline II helixtrans-63.4146.1160.7-67-55.7147.200110K213K213-E292 WeakPolarHBondContact CE-OE1 3.13Å; K213-E292 IonicContact NZ-OE1 3.62Å; K213-E292 PolarHBondContact NZ-OE1 2.8Å
293P93.3Very high88.4Confident26 Ų2679.2 Ų79.217%0.16943%0.434CS..PPolyproline II helixtrans-66.2137.8173.8-21.434.4000111.8W275 Y276 P303W275-P293 HydrophobicContact CE3-CB 4.09Å; Y276-P293 CarbonylContact O-C 3.5Å; Y276-P293 VanDerWaalsContact O-CA 3.29Å; Y276-P293 WeakPolarHBondContact O-CA 3.37Å; P293-P303 HydrophobicContact CB-CB 3.72Å; P293-P303 HydrophobicContact CG-CB 3.88Å
294R93.8Very high87.2Confident124 Ų12481.4 Ų81.447%0.46844%0.441SS..EExtended strand (participates in β ladder)trans-119.2129.1175.5-161.3172.6-177.1-161.6-2.8109.9L216 I218 Y276L216-R294 HydrophobicContact CD2-CB 4.25Å; L216-R294 VanDerWaalsContact O-CD 3.25Å; L216-R294 WeakPolarHBondContact O-CD 3.38Å; L216-R294 PolarHBondContact O-NH1 3.47Å; I218-R294 HydrophobicContact CD1-CB 4.23Å; I218-R294 HydrophobicContact CD1-CG 4.27Å; Y276-R294 PolarHBondContact N-O 3.24Å; Y276-R294 PolarHBondContact O-N 2.79Å
295S92.9Very high85.6Confident61 Ų6180.2 Ų80.243%0.42744%0.441SS..EExtended strand (participates in β ladder)trans-78.7143.1178.152.60000111.6G274G274-S295 WeakPolarHBondContact O-CA 3.37Å
296F91.9Very high84.2Confident39 Ų3977.8 Ų77.817%0.17143%0.43CS..EExtended strand (participates in β ladder)trans-127.7136.8164.3175.8-96.6000109.2I218 K220 M230 K271 A272 S273 G274 Y276I218-F296 HydrophobicContact CD1-CB 3.88Å; I218-F296 HydrophobicContact CG2-CD2 3.9Å; I218-F296 HydrophobicContact CG2-CG 4.4Å; K220-F296 HydrophobicContact CB-CE2 3.83Å; K220-F296 HydrophobicContact CD-CE2 4.11Å; M230-F296 HydrophobicContact CE-CD1 4.14Å; M230-F296 HydrophobicContact CE-CG 4.42Å; M230-F296 HydrophobicContact SD-CD1 3.88Å; M230-F296 HydrophobicContact SD-CD2 4.08Å; M230-F296 HydrophobicContact SD-CE1 3.85Å; M230-F296 HydrophobicContact SD-CE2 4.06Å; M230-F296 HydrophobicContact SD-CG 3.99Å; M230-F296 HydrophobicContact SD-CZ 3.94Å; K271-F296 HydrophobicContact CB-CE1 4.08Å; K271-F296 HydrophobicContact CB-CZ 4.22Å; K271-F296 HydrophobicContact CD-CZ 4.48Å; K271-F296 HydrophobicContact CG-CE1 4.44Å; K271-F296 HydrophobicContact CG-CZ 4.13Å; A272-F296 WeakPolarHBondContact O-CD1 3.35Å; S273-F296 CarbonylContact C-O 3.56Å; S273-F296 WeakPolarHBondContact CA-O 3.33Å; G274-F296 PolarHBondContact N-O 2.94Å; G274-F296 PolarHBondContact O-N 2.93Å; Y276-F296 HydrophobicContact CD2-CB 4.06Å; Y276-F296 HydrophobicContact CE2-CB 3.96Å
297G88.2Confident82.5Confident51 Ų5176.3 Ų76.353%0.52643%0.426SS..SBendtrans70-164.5-175.400000113.6V299G297-V299 WeakPolarHBondContact O-CG2 3.23Å
298E85Confident80.8Confident178 Ų17884.6 Ų84.683%0.83246%0.455SS*.SBendtrans-79.9123.7175.9-164.1171-163.200110S273S273-E298 WeakPolarHBondContact CB-O 3.48Å
299V85.3Confident78.6Confident45 Ų4586.5 Ų86.527%0.27347%0.468SS..  trans-134.7127.3-174.7-146.10000109.1W275 G297W275-V299 HydrophobicContact CG-CG1 4.31Å; G297-V299 WeakPolarHBondContact O-CG2 3.23Å
300T75.4Confident75.9Confident138 Ų13891.1 Ų91.185%0.84749%0.493SS*.  trans-97.9129.4178.751.10000110.9
301G71.3Confident73.5Confident50 Ų5097.3 Ų97.352%0.51552%0.524SS..SBendtrans88.6162176.100000114.5W275W275-G301 WeakPolarHBondContact CZ2-O 3.37Å; W275-G301 PolarHBondContact NE1-O 2.87Å
302P73.9Confident70.6Confident115 Ų115108.8 Ų108.875%0.74757%0.567SS**SBendtrans-65.1155.3-179.927.4-33.6000111.5L304P302-L304 PolarHBondContact O-N 2.84Å
303P73.8Confident67.7Low46 Ų46110.2 Ų110.230%0.29958%0.578SS.*  trans-58.5135.1176.622.9-31.1000110.5W275 P293 M305W275-P303 HydrophobicContact CD2-CB 3.68Å; W275-P303 HydrophobicContact CE3-CB 3.76Å; W275-P303 HydrophobicContact CE3-CG 4.37Å; W275-P303 HydrophobicContact CG-CB 4.09Å; W275-P303 HydrophobicContact CH2-CB 4.44Å; W275-P303 HydrophobicContact CH2-CG 4.33Å; W275-P303 HydrophobicContact CZ2-CB 4.38Å; W275-P303 HydrophobicContact CZ3-CB 4.13Å; W275-P303 HydrophobicContact CZ3-CG 4.25Å; P293-P303 HydrophobicContact CB-CB 3.72Å; P293-P303 HydrophobicContact CG-CB 3.88Å; P303-M305 PolarHBondContact O-N 3.13Å
304L67.3Low64.9Low108 Ų108118 Ų11857%0.56561%0.613SS**  trans-63.2112167.3-67.6170.8000107.4N255 P302N255-L304 WeakPolarHBondContact ND2-CB 3.48Å; N255-L304 PolarHBondContact ND2-O 3.22Å; N255-L304 PolarHBondContact OD1-O 3.05Å; P302-L304 PolarHBondContact O-N 2.84Å
305M58.8Low61.8Low156 Ų156121 Ų12177%0.76863%0.634SS**PPolyproline II helixtrans-58.7134.5179.3-75.3-175176.700109.5N255 P303N255-M305 PolarHBondContact ND2-O 3.13Å; N255-M305 VanDerWaalsContact ND2-O 3.09Å; P303-M305 PolarHBondContact O-N 3.13Å
306P59.1Low58.8Low29 Ų29124.5 Ų124.519%0.18865%0.653CS.*PPolyproline II helixtrans-61.3147.8170.223.6-29.4000109.1W290 R308W290-P306 HydrophobicContact CD2-CB 4.09Å; W290-P306 HydrophobicContact CE3-CB 3.91Å; W290-P306 HydrophobicContact CE3-CG 4.44Å; W290-P306 HydrophobicContact CH2-CB 4.39Å; W290-P306 HydrophobicContact CZ3-CB 4.08Å; P306-R308 PolarHBondContact O-N 3.04Å; P306-R308 VanDerWaalsContact O-N 3.16Å
307P56.8Low55.9Low93 Ų93127.5 Ų127.560%0.60468%0.679SS**PPolyproline II helixtrans-56.3125.1176.520.6-29.5000109.3
308R55.4Low53.3Low217 Ų217136.7 Ų136.782%0.81970%0.698SS**PPolyproline II helixtrans-55134.7173.7-70.5-174-170.3-159.82.5107.6P306 H310P306-R308 PolarHBondContact O-N 3.04Å; P306-R308 VanDerWaalsContact O-N 3.16Å; R308-H310 PolarHBondContact O-N 3.05Å
309P49Very low50.8Low79 Ų79132.6 Ų132.651%0.51369%0.689SS.*PPolyproline II helixtrans-54.5120.1172.6-19.929.9000108.5H311P309-H311 VanDerWaalsContact C-N 3.34Å; P309-H311 PolarHBondContact O-N 3.22Å
310H38.4Very low48.4Very low191 Ų191135.3 Ų135.388%0.88471%0.707SS**  trans-64.2101166.6-85-73.2000106.9R308 R312R308-H310 PolarHBondContact O-N 3.05Å; H310-R312 PolarHBondContact O-N 3.12Å
311H44.5Very low46.3Very low171 Ų171134.9 Ų134.979%0.79270%0.704SS**  trans-59.6106161.3-94.9-78.9000106.8P309 N313P309-H311 VanDerWaalsContact C-N 3.34Å; P309-H311 PolarHBondContact O-N 3.22Å; H311-N313 PolarHBondContact O-N 2.88Å
312R35.2Very low44.4Very low243 Ų243139.8 Ų139.892%0.91771%0.713SS**  trans-65.1108.4166.8-171.2170.3-175.6172.20.3106.2H310 Q314H310-R312 PolarHBondContact O-N 3.12Å; R312-Q314 PolarHBondContact O-N 3.02Å
313N33.3Very low42.4Very low154 Ų154139.8 Ų139.882%0.82471%0.711SS**  trans-15.6107.6179.5-65.8-18.9000114.7H311H311-N313 PolarHBondContact O-N 2.88Å
314Q34.2Very low40.4Very low191 Ų191146.6 Ų146.689%0.89374%0.737SS**  trans-84.4127.4147.7-87.3-174.7100107.6R312 T316R312-Q314 PolarHBondContact O-N 3.02Å; Q314-T316 PolarHBondContact O-N 2.96Å
315M27.9Very low38.7Very low185 Ų185146.3 Ų146.391%0.91174%0.744SS**  trans-44.8124.4-177.3-147143.9-178.500111.5S317M315-S317 VanDerWaalsContact C-N 3.32Å; M315-S317 PolarHBondContact O-N 3.02Å
316T30.9Very low37.5Very low135 Ų135143.3 Ų143.383%0.82874%0.744SS**  trans-61.693.8164.846.10000108.8Q314 R318Q314-T316 PolarHBondContact O-N 2.96Å; T316-R318 PolarHBondContact O-N 3.5Å
317S30.9Very low36.2Very low102 Ų102147.3 Ų147.371%0.71377%0.77SS**  trans-73.8100.8154.6176.60000106.9M315 S319M315-S317 VanDerWaalsContact C-N 3.32Å; M315-S317 PolarHBondContact O-N 3.02Å; S317-S319 PolarHBondContact O-N 2.77Å; S317-S319 VanDerWaalsContact O-N 3.11Å
318R32.5Very low35Very low244 Ų244152.2 Ų152.292%0.92179%0.785SS**  trans-71.196.3171.2-136.7180-171.1-176.91.8106.8T316T316-R318 PolarHBondContact O-N 3.5Å
319S32.7Very low34Very low93 Ų93148 Ų14865%0.6578%0.783SS**  trans-78.2143164.1-61.30000109.1S317S317-S319 PolarHBondContact O-N 2.77Å; S317-S319 VanDerWaalsContact O-N 3.11Å
320P34.1Very low33.4Very low101 Ų101152.6 Ų152.666%0.65680%0.798SS**  trans-65.9143.1-172.5-14.328.1000111.6H322P320-H322 PolarHBondContact O-N 3.07Å
321V32.3Very low33.1Very low129 Ų129149.7 Ų149.778%0.78280%0.796SS**  trans-63.1105.3165.8176.70000107.5T323V321-T323 PolarHBondContact O-N 3.46Å
322H32.3Very low32.5Very low153 Ų153146.3 Ų146.371%0.70880%0.797SS**  trans-81.597.2162.6-80.4-71.4000108.1P320 F324P320-H322 PolarHBondContact O-N 3.07Å; H322-F324 HydrophobicContact CB-CD2 4.39Å; H322-F324 HydrophobicContact CB-CE2 4.43Å; H322-F324 PolarHBondContact O-N 2.99Å
323T30.5Very low32.4Very low115 Ų115139.9 Ų139.971%0.70679%0.79SS**  trans-6794.3168.7-40.80000108.5V321 S325V321-T323 PolarHBondContact O-N 3.46Å; T323-S325 PolarHBondContact O-N 3.05Å
324F32.3Very low32.4Very low190 Ų190137.8 Ų137.883%0.83379%0.785SS**  trans-80.5102.6163.6-91.1-87000108.2H322 A326H322-F324 HydrophobicContact CB-CD2 4.39Å; H322-F324 HydrophobicContact CB-CE2 4.43Å; H322-F324 PolarHBondContact O-N 2.99Å; F324-A326 PolarHBondContact O-N 3.01Å
325S31.2Very low32.2Very low101 Ų101137.7 Ų137.771%0.70678%0.781SS**  trans-71.2115.7164.8-56.70000107.5T323T323-S325 PolarHBondContact O-N 3.05Å
326A33Very low32.4Very low93 Ų93139.1 Ų139.177%0.76978%0.778SS**  trans-67.2131.8171.500000109.4F324 E328F324-A326 PolarHBondContact O-N 3.01Å; A326-E328 PolarHBondContact O-N 3.24Å
327P31.9Very low32.4Very low113 Ų113141.9 Ų141.973%0.73478%0.779SS**  trans-76118.2164-3.320.6000108.5T329P327-T329 PolarHBondContact O-N 2.94Å; P327-T329 VanDerWaalsContact O-N 3.13Å; P327-T329 PolarHBondContact O-OG1 3.03Å
328E32.7Very low32.4Very low197 Ų197141.5 Ų141.592%0.92178%0.782SS**  trans-56.4110.8168.5-162.6166.3-160.300109A326A326-E328 PolarHBondContact O-N 3.24Å
329T33.6Very low32.4Very low128 Ų128135.3 Ų135.379%0.78578%0.776SS**  trans-120.3117.6174.9-36.80000108.8P327P327-T329 PolarHBondContact O-N 2.94Å; P327-T329 VanDerWaalsContact O-N 3.13Å; P327-T329 PolarHBondContact O-OG1 3.03Å
330Q37.8Very low32.5Very low175 Ų175136.7 Ų136.782%0.81878%0.78SS**  trans-58.9150.9-178.7-68.4-179.5-33.100112.7A332Q330-A332 PolarHBondContact O-N 3.2Å
331P30.7Very low32.4Very low131 Ų131137.7 Ų137.785%0.85179%0.787SS**  trans-74.4110-179.728.5-31.6000111.2
332A33.2Very low32.3Very low99 Ų99136.7 Ų136.782%0.81879%0.786SS**  trans-86.3123.3165.100000109.9Q330Q330-A332 PolarHBondContact O-N 3.2Å
333S32.2Very low32.2Very low109 Ų109139.2 Ų139.276%0.76280%0.795SS**  trans-66.4139.1-178.5-29.40000112.1K335S333-K335 PolarHBondContact O-N 3.21Å
334P33.6Very low32.2Very low110 Ų110140.9 Ų140.971%0.71480%0.8SS**  trans-76.8113.2172.927.5-29.3000110.9Y336P334-Y336 PolarHBondContact O-N 3.06Å
335K30.7Very low32.1Very low188 Ų188141.5 Ų141.582%0.81781%0.805SS**  trans-77.2105.7164.4-75.8-177.3178.8178.20108.9S333 F337S333-K335 PolarHBondContact O-N 3.21Å; K335-F337 PolarHBondContact O-N 3.38Å
336Y31.1Very low31.9Very low216 Ų216147.9 Ų147.985%0.84781%0.814SS**  trans-70.3115.5165.5-79.3-92.2000109.3P334P334-Y336 PolarHBondContact O-N 3.06Å
337F31Very low31.7Very low193 Ų193149.6 Ų149.685%0.84682%0.815SS**  trans-90110.2160.3-91.2-87.5000108.2K335K335-F337 PolarHBondContact O-N 3.38Å
338A30.4Very low31.5Very low93 Ų93153.1 Ų153.177%0.76982%0.821SS**  trans-78.9125.6168.100000109.1
339S33.8Very low31.4Very low114 Ų114148.9 Ų148.980%0.79781%0.814SS**  trans-119.7100.416557.80000108.7
340T33.2Very low31.4Very low122 Ų122148.7 Ų148.775%0.74882%0.815SS**  trans-75.4145.1168.2-22.50000109.8
341P34Very low30.9Very low123 Ų123145.4 Ų145.480%0.79981%0.811SS**  trans-116.6117.9143.319.3-2.1000109.8
342S30Very low31.5Very low108 Ų108144.2 Ų144.276%0.75580%0.803SS**  trans-71.3127.8164.3-60.50000109.5
343F30.2Very low31.3Very low206 Ų206144.4 Ų144.490%0.90480%0.799SS**  trans-143.6128.3155.1-144.5-99.2000110.7
344N29.5Very low31.2Very low150 Ų150148 Ų14880%0.80280%0.803SS**  trans-62.8135.3-170-73.2-40.2000113.2
345Q30.9Very low31.3Very low202 Ų202147.3 Ų147.394%0.94481%0.807SS**  trans-78.7125.1158.4-82.2176.4-2900109.3
346R26.6Very low31.4Very low235 Ų235144.4 Ų144.489%0.88781%0.808SS**  trans-119.6122.5155.6-173.6174.4-70.4-166.5-1.1107.7
347T29.3Very low31.4Very low129 Ų129141.2 Ų141.279%0.79181%0.805SS**  trans-65132.7175.1-230000110.6
348E26.7Very low32.6Very low187 Ų187136.7 Ų136.787%0.87480%0.795SS**  trans-164.7123.5147-115.1166.7-178.600109.8
349S30.9Very low32.5Very low109 Ų109138.4 Ų138.476%0.76280%0.796SS**  trans-75.2159.7168.2-54.50000110
350P33.3Very low32.4Very low123 Ų123138.4 Ų138.480%0.79980%0.796SS**  -148.7156.497.236.4-18.4000115.6
351S28.2Very low32.6Very low106 Ų106140.4 Ų140.474%0.74180%0.801SS**  trans-58.8177.2153.448.50000111.8
352P42Very low32.7Very low107 Ų107140.1 Ų140.170%0.69580%0.8SS**  cis-148-166.821.935.6-10000116.4
353S29.2Very low32.7Very low103 Ų103141.3 Ų141.372%0.7280%0.803SS**  trans68.5149.7143.954.10000119.1
354E30.1Very low32.9Very low183 Ų183137.1 Ų137.186%0.85580%0.799SS**  cis-176.5147.5-16.5-165.3164.2-160.700103.2
355A36.6Very low33Very low96 Ų96137.4 Ų137.479%0.79380%0.8SS**  trans-75158.7-18000000111.9
356P33Very low33Very low128 Ų128139.1 Ų139.183%0.83180%0.798SS**  -143.5158.4121.832.4-15.4000115.2
357D30.2Very low33.5Very low148 Ų148136 Ų13679%0.79180%0.798SS**  trans-98.6-173.5171.2-153.814.4000109.9
358P55.8Low34.2Very low99 Ų99135.9 Ų135.964%0.64380%0.8SS**  -111.7-176.8-112.736.8-17.8000113.9
359T29.9Very low34.5Very low129 Ų129130.9 Ų130.979%0.79180%0.798SS**  trans131.1134145.9-41.50000115.2
360S31.4Very low34.6Very low114 Ų114133.9 Ų133.980%0.79780%0.8SS**  trans104.4135153.276.90000119.5
361L36.4Very low34.5Very low163 Ų163135.3 Ų135.385%0.85381%0.807SS**  trans-64.7169.1-167.1-71.7114.6000115.3
362P36.8Very low34.7Very low118 Ų118137.3 Ų137.377%0.76680%0.804SS**  -139.1139.1110.932.5-16.8000116.4
363T30.5Very low34.4Very low133 Ų133138 Ų13882%0.81681%0.807SS**  trans19.2125.1134.7-12.60000120.5
364S33.5Very low35.1Very low118 Ų118138.9 Ų138.983%0.82581%0.81SS**PPolyproline II helixtrans-78.9125.6171.21750000111.5
365D32.8Very low35.3Very low155 Ų155138.2 Ų138.283%0.82981%0.807SS**PPolyproline II helixtrans-102.6149.4167.7-107.3-34.5000112.6
366R30.9Very low35.6Very low238 Ų238138.9 Ų138.990%0.89880%0.803SS**PPolyproline II helixtrans-61.7147-168.7-73.5165.2163.2179.6-5115.9
367L36.8Very low35.6Very low170 Ų170141.4 Ų141.489%0.8980%0.804SS**PPolyproline II helixtrans-102.6140.8152.2-105.598.5000110.5
368P42.8Very low35.8Very low127 Ų127137.9 Ų137.983%0.82580%0.802SS**PPolyproline II helixtrans-103.7153.3166.135.8-27000112.9
369G33.3Very low34.9Very low81 Ų81139.3 Ų139.384%0.83581%0.809SS**  trans128.584.6151.400000116.4
370Q33.4Very low35.1Very low173 Ų173138 Ų13881%0.80881%0.805SS**  trans-81.8146.1162.5-70.9-178.5-1500110.9
371T30.8Very low35.3Very low152 Ų152144 Ų14493%0.93381%0.811SS**  trans-129.7132152.2-34.90000108
372Q33.6Very low35.3Very low148 Ų148139.5 Ų139.569%0.69280%0.803SS**  trans-107.2132.7-163.5-126.9173.128.400111.8
373T34.8Very low35.4Very low123 Ų123141.9 Ų141.976%0.75581%0.809SS**  trans63.6164.9137.943.50000121
374P43Very low36.4Very low120 Ų120149.2 Ų149.278%0.77983%0.83SS**  cis-133.3168.45.926.7-2.7000117.1
375E35.6Very low36.5Very low170 Ų170150.8 Ų150.879%0.79483%0.83SS**  trans-67.1160.2162.8-150.4-178.7165.500111.5
376P42Very low36.7Very low109 Ų109150.6 Ų150.671%0.70883%0.83SS**  -150.8155.3100.134.6-15.4000117.5
377Q33.1Very low37Very low182 Ų182145.7 Ų145.785%0.8583%0.826SS**  trans79.4122.5142.7-74.3179.2-0.500121
378G34Very low37Very low74 Ų74144.3 Ų144.376%0.76382%0.822SS**  trans-82.7171.817800000115.7
379V38Very low36.7Very low128 Ų128145.4 Ų145.478%0.77682%0.822SS**  trans-142.7130.9165.1-1780000108.7
380S32.9Very low36.9Very low103 Ų103149.7 Ų149.772%0.7282%0.821SS**  trans-88.5138.5171.5148.80000110.5
381W37.1Very low37.2Very low240 Ų240148 Ų14891%0.90982%0.822SS**  trans-149.2130.4149.8-65.1101000105.5
382G35.1Very low37.6Very low67 Ų67147.7 Ų147.769%0.69181%0.814SS**  cis111.594.833.200000107.7
383L40.3Very low38Very low169 Ų169147.7 Ų147.789%0.88582%0.824SS**  trans-58.6131.8171.5-76.6156.1000110.8
384F50.1Low38.3Very low287 Ų287149.9 Ų149.9100%1.25983%0.83SS**  trans-158.70138.2-94.5-70.4000109.6

Retrieved 384 of 384 residues in 554 ms (Link to these results)