A0A087XIT5_POEFO Loading...

Kirre like nephrin family adhesion molecule 3, like

AlphaFold DB , UniProt , Accession A0A087XIT5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 761 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
1M42.6Very low46.7Very low234 Ų234154.8 Ų154.8100%1.15380%0.802SS**  0135.20-72.9159.657.800107.2
2S43.1Very low46.5Very low115 Ų115149.4 Ų149.480%0.80479%0.786SS**  trans57121.4168.6-790000116.9
3E50.6Low46.4Very low175 Ų175149.5 Ų149.582%0.81879%0.786SS**  cis54.9149.218.7-63.9-145129.500116.7
4M44.8Very low46.3Very low169 Ų169151.3 Ų151.383%0.83379%0.792SS**  trans65.735169.9-67.7174.157.400118.4
5T48.1Very low46.4Very low146 Ų146149 Ų14990%0.89679%0.786SS**SBendtrans-112.32.6137.952.60000113.3L7T5-L7 PolarHBondContact O-N 3.28Å
6S53.4Low46.7Very low90 Ų90147.1 Ų147.163%0.62978%0.782SS**  trans-69.5108.5157.4-173.90000109.1
7L50Low46.5Very low125 Ų125144.2 Ų144.265%0.65478%0.784SS**SBendtrans177.6-47.2131.6-116.964.6000111.6T5T5-L7 PolarHBondContact O-N 3.28Å
8Y41.8Very low46.6Very low217 Ų217140.7 Ų140.785%0.85178%0.778SS**THydrogen-bonded Turntrans-83.6-17.1-155.9-97-79.9000117.9
9L41.7Very low47Very low138 Ų138140.4 Ų140.472%0.72378%0.78SS**THydrogen-bonded Turntrans-107.65174.8-102.2160.4000114.1F11 C12L9-F11 PolarHBondContact O-N 3.19Å; L9-C12 HydrophobicContact CD2-CB 4.22Å
10V51Low47.8Very low106 Ų106142.3 Ų142.364%0.64278%0.78SS**G310 helixtrans-66.7-21.4166.5179.40000111
11F47Very low49.3Very low188 Ų188139.5 Ų139.583%0.82578%0.776SS**G310 helixtrans-80.8-10.6-176.4-128-89.1000115.6L9L9-F11 PolarHBondContact O-N 3.19Å
12C44.2Very low51.4Low90 Ų90129.4 Ų129.461%0.60873%0.73SS**G310 helixtrans-115.513.8-179.4-74.80000114.4L9L9-C12 HydrophobicContact CD2-CB 4.22Å
13L44.4Very low53.7Low150 Ų150129.4 Ų129.479%0.78571%0.713SS**  trans-110.112.6173.3-87.9167000114.4V15L13-V15 PolarHBondContact O-N 3.32Å
14M46.1Very low55.7Low175 Ų175122.5 Ų122.586%0.86268%0.68SS**  trans-88.849.3155.9-69-68.3-83.400110.2T16M14-T16 VanDerWaalsContact C-N 3.31Å; M14-T16 PolarHBondContact O-N 3.33Å
15V47.4Very low58Low117 Ų117117.3 Ų117.371%0.70966%0.661SS**  trans-69.498.9165.2177.60000106.7L13 A17L13-V15 PolarHBondContact O-N 3.32Å; V15-A17 PolarHBondContact O-N 3.15Å; V15-A17 VanDerWaalsContact O-N 3.17Å
16T51Low60.2Low118 Ų118115.5 Ų115.572%0.72464%0.642SS**  trans-22.5110.7169.840.20000113.5M14 A18M14-T16 VanDerWaalsContact C-N 3.31Å; M14-T16 PolarHBondContact O-N 3.33Å; T16-A18 PolarHBondContact O-N 3.43Å
17A43.9Very low62.3Low99 Ų99114 Ų11482%0.81863%0.625SS**  trans-62.587.6152.100000106.8V15 T19V15-A17 PolarHBondContact O-N 3.15Å; V15-A17 VanDerWaalsContact O-N 3.17Å; A17-T19 PolarHBondContact O-N 3.26Å
18A47.3Very low64.5Low80 Ų80108.1 Ų108.166%0.66160%0.595SS**  trans-64.497.4-176.600000108.6T16 K20T16-A18 PolarHBondContact O-N 3.43Å; A18-K20 PolarHBondContact O-N 3.42Å
19T55.1Low67.1Low135 Ų135105 Ų10583%0.82859%0.587SS**  trans-55.6104.2169.847.60000107A17 A21A17-T19 PolarHBondContact O-N 3.26Å; T19-A21 PolarHBondContact O-N 2.91Å
20K62.3Low69.7Low178 Ų178104 Ų10477%0.77458%0.583SS**PPolyproline II helixtrans-52.4117.6176.9-77.1-173.1174.4-176.90107.4A18 A22A18-K20 PolarHBondContact O-N 3.42Å; K20-A22 PolarHBondContact O-N 3.08Å
21A79.1Confident71.9Confident84 Ų84101.5 Ų101.569%0.69456%0.564SS**PPolyproline II helixtrans-55139.1176.600000108.8T19 Y23T19-A21 PolarHBondContact O-N 2.91Å; A21-Y23 PolarHBondContact O-N 3.33Å
22A87.4Confident74.3Confident23 Ų2397.2 Ų97.219%0.1955%0.554CS.*PPolyproline II helixtrans-58.4139.6178.900000110.3K20 I45 V46 L108K20-A22 PolarHBondContact O-N 3.08Å; A22-I45 HydrophobicContact CB-CG2 4.28Å; A22-V46 WeakPolarHBondContact CA-O 3.34Å; A22-L108 HydrophobicContact CB-CD1 3.71Å; A22-L108 WeakPolarHBondContact O-CD1 3.4Å
23Y90.4Very high76.8Confident115 Ų11593.3 Ų93.345%0.45153%0.527SS..EExtended strand (participates in β ladder)trans-147.6150.1-177.171.1-81.7000111.1A21 S25 I45 V46A21-Y23 PolarHBondContact O-N 3.33Å; Y23-S25 PolarHBondContact O-N 3.25Å; Y23-I45 CarbonylContact O-C 3.45Å; Y23-I45 WeakPolarHBondContact O-CA 3.34Å; Y23-V46 HydrophobicContact CD1-CB 4.28Å; Y23-V46 HydrophobicContact CE1-CB 3.74Å; Y23-V46 HydrophobicContact CE1-CG1 3.7Å; Y23-V46 HydrophobicContact CE2-CB 4.37Å; Y23-V46 PolarHBondContact N-O 3.35Å; Y23-V46 PolarHBondContact O-N 3.42Å
24F93.5Very high79.3Confident30 Ų3087.5 Ų87.513%0.13250%0.497CS..EExtended strand (participates in β ladder)trans-72121.1173-61.4-86000110.3Q27 V44 I45 L108 R109 S110F24-Q27 HydrophobicContact CB-CG 3.31Å; F24-Q27 HydrophobicContact CD1-CG 3.98Å; F24-Q27 HydrophobicContact CD2-CG 4.26Å; F24-Q27 HydrophobicContact CG-CG 3.62Å; F24-V44 CarbonylContact C-O 3.57Å; F24-V44 VanDerWaalsContact CA-O 3.32Å; F24-V44 WeakPolarHBondContact CA-O 3.44Å; F24-I45 HydrophobicContact CD1-CD1 4.16Å; F24-I45 HydrophobicContact CD1-CG1 3.71Å; F24-I45 HydrophobicContact CE1-CD1 3.59Å; F24-I45 HydrophobicContact CE1-CG1 3.69Å; F24-I45 HydrophobicContact CZ-CD1 4.18Å; F24-L108 HydrophobicContact CE2-CB 3.88Å; F24-L108 HydrophobicContact CZ-CB 4.03Å; F24-R109 VanDerWaalsContact CE2-C 3.47Å; F24-R109 WeakPolarHBondContact CE2-O 3.43Å; F24-R109 VanDerWaalsContact CZ-C 3.46Å; F24-S110 VanDerWaalsContact CZ-N 3.34Å
25S93.5Very high81.7Confident60 Ų6083.5 Ų83.542%0.4248%0.477SS..EExtended strand (participates in β ladder)trans-86.9-28.7165.860.50000111.6Y23 V44Y23-S25 PolarHBondContact O-N 3.25Å; S25-V44 PolarHBondContact N-O 2.9Å; S25-V44 WeakPolarHBondContact OG-CB 3.49Å; S25-V44 WeakPolarHBondContact OG-CG1 3.45Å; S25-V44 PolarHBondContact OG-O 3.43Å
26Q94.6Very high84Confident107 Ų10780 Ų8050%0.547%0.465SS..EExtended strand (participates in β ladder)trans-133.6139.5169-56.2-174.536.500109.5P42 V44Q26-P42 HydrophobicContact CB-CB 4.44Å; Q26-V44 HydrophobicContact CB-CB 4.02Å; Q26-V44 HydrophobicContact CB-CG2 3.97Å; Q26-V44 HydrophobicContact CG-CB 4.27Å; Q26-V44 HydrophobicContact CG-CG2 4.15Å; Q26-V44 PolarHBondContact N-O 2.95Å; Q26-V44 PolarHBondContact O-N 3.3Å
27Q95.7Very high86.1Confident58 Ų5879.6 Ų79.627%0.27146%0.455SS..  trans-129.1153.1177-65.5-168.157.500109F24 P42 S110 H111F24-Q27 HydrophobicContact CB-CG 3.31Å; F24-Q27 HydrophobicContact CD1-CG 3.98Å; F24-Q27 HydrophobicContact CD2-CG 4.26Å; F24-Q27 HydrophobicContact CG-CG 3.62Å; Q27-P42 CarbonylContact C-O 3.58Å; Q27-P42 VanDerWaalsContact C-O 3.25Å; Q27-S110 VanDerWaalsContact OE1-CA 3.3Å; Q27-H111 PolarHBondContact OE1-CD2 2.88Å
28P96.3Very high88.6Confident3 Ų378 Ų782%0.01944%0.437CS..  trans-67.5150.7175.631-36000110.4L41 P42 W54 A113P28-L41 HydrophobicContact CB-CB 4.25Å; P28-P42 WeakPolarHBondContact CA-O 3.47Å; P28-P42 WeakPolarHBondContact CD-O 3.44Å; P28-W54 HydrophobicContact CB-CH2 3.85Å; P28-W54 HydrophobicContact CB-CZ3 4.21Å; P28-W54 HydrophobicContact CG-CH2 3.76Å; P28-W54 HydrophobicContact CG-CZ3 3.93Å; P28-A113 HydrophobicContact CB-CB 3.64Å; P28-A113 HydrophobicContact CG-CB 4.01Å
29Q96.4Very high91Very high150 Ų15074.6 Ų74.670%0.70141%0.408SS*.  trans-127.1162.6174.6-62.8-178.6-3.500107.7Q31Q29-Q31 PolarHBondContact O-N 3.4Å
30D97.6Very high93Very high117 Ų11771.2 Ų71.263%0.62639%0.388SS*.  trans-56.6130176.2-67.41000110A113 K114D30-A113 WeakPolarHBondContact OD1-CA 3.29Å; D30-K114 VanDerWaalsContact CA-O 3.3Å; D30-K114 WeakPolarHBondContact CA-O 3.49Å; D30-K114 PolarHBondContact OD1-N 3.3Å
31Q97.1Very high94.6Very high54 Ų5462.8 Ų62.825%0.25235%0.351SS..EExtended strand (participates in β ladder)trans-129.5152.8-177.3-76.1-170.241.900110.9Q29 T40 L41 K114 L115 T116Q29-Q31 PolarHBondContact O-N 3.4Å; Q31-T40 PolarHBondContact NE2-O 3.15Å; Q31-T40 PolarHBondContact OE1-O 2.71Å; Q31-L41 HydrophobicContact CB-CD2 4.29Å; Q31-L41 HydrophobicContact CG-CD2 4.28Å; Q31-K114 PolarHBondContact N-O 3.02Å; Q31-L115 HydrophobicContact CB-CD1 4.01Å; Q31-T116 PolarHBondContact O-N 2.83Å
32V96.9Very high95.4Very high99 Ų9960.2 Ų60.260%0.633%0.327SS*.EExtended strand (participates in β ladder)trans-125.6125.5179.9-173.30000108.1T116 L118V32-T116 WeakPolarHBondContact CA-O 3.34Å; V32-L118 HydrophobicContact CG1-CD1 3.42Å; V32-L118 VanDerWaalsContact CG1-CD1 3.42Å; V32-L118 HydrophobicContact CG1-CD2 3.8Å; V32-L118 HydrophobicContact CG1-CG 3.47Å; V32-L118 VanDerWaalsContact CG1-CG 3.47Å
33V97.3Very high95.8Very high7 Ų759.1 Ų59.14%0.04232%0.318CS..EExtended strand (participates in β ladder)trans-131.2145.7-17764.90000109.7Q37 V39 A91 L115 T116 V117 L118V33-Q37 HydrophobicContact CG2-CB 3.75Å; V33-V39 HydrophobicContact CB-CB 4.18Å; V33-V39 HydrophobicContact CB-CG1 4.44Å; V33-V39 HydrophobicContact CB-CG2 4.42Å; V33-V39 HydrophobicContact CG1-CG1 4.26Å; V33-V39 HydrophobicContact CG2-CB 3.97Å; V33-V39 HydrophobicContact CG2-CG1 4.35Å; V33-A91 HydrophobicContact CG1-CB 3.71Å; V33-A91 HydrophobicContact CG2-CB 4.11Å; V33-L115 HydrophobicContact CB-CD1 4.45Å; V33-L115 HydrophobicContact CG1-CD1 3.82Å; V33-L115 HydrophobicContact CG1-CG 4.29Å; V33-T116 PolarHBondContact N-O 3.44Å; V33-V117 HydrophobicContact CG1-CB 4.39Å; V33-V117 HydrophobicContact CG1-CG1 4.43Å; V33-V117 HydrophobicContact CG1-CG2 3.84Å; V33-V117 CarbonylContact O-C 3.54Å; V33-V117 WeakPolarHBondContact O-CA 3.27Å; V33-L118 PolarHBondContact O-N 3.41Å
34V97Very high96Very high28 Ų2854.3 Ų54.317%0.1730%0.301CS..EExtended strand (participates in β ladder)trans-84.4140.3172-175.70000109.6G36 Q37 L118 A207V34-G36 PolarHBondContact O-N 3.18Å; V34-Q37 HydrophobicContact CB-CG 4.22Å; V34-Q37 WeakPolarHBondContact O-CB 3.5Å; V34-Q37 PolarHBondContact O-N 3.41Å; V34-L118 HydrophobicContact CG2-CD1 4.36Å; V34-A207 HydrophobicContact CG1-CB 3.84Å; V34-A207 HydrophobicContact CG2-CB 4.39Å
35Q95.8Very high96Very high91 Ų9152.9 Ų52.943%0.42530%0.295SS..THydrogen-bonded Turntrans-49.9131.4177.4-174179.6-1.600111.6A91 V117 L118Q35-A91 CarbonylContact C-O 3.56Å; Q35-A91 WeakPolarHBondContact CA-O 3.5Å; Q35-A91 WeakPolarHBondContact CG-O 3.42Å; Q35-V117 HydrophobicContact CB-CG1 4.17Å; Q35-L118 PolarHBondContact N-O 2.91Å
36G94.9Very high95.9Very high45 Ų4552.6 Ų52.646%0.46429%0.29SS..THydrogen-bonded Turntrans86.7-6.9-17600000115.2V34 A91V34-G36 PolarHBondContact O-N 3.18Å; G36-A91 PolarHBondContact N-O 3.08Å
37Q96.1Very high95.5Very high109 Ų10950.6 Ų50.651%0.50930%0.298SS..  trans-89.9148.5169.6-62.5-179.5-26.700111.3V33 V34 A91V33-Q37 HydrophobicContact CG2-CB 3.75Å; V34-Q37 HydrophobicContact CB-CG 4.22Å; V34-Q37 WeakPolarHBondContact O-CB 3.5Å; V34-Q37 PolarHBondContact O-N 3.41Å; Q37-A91 VanDerWaalsContact O-CB 3.27Å; Q37-A91 WeakPolarHBondContact O-CB 3.42Å; Q37-A91 PolarHBondContact O-N 2.89Å
38S96.7Very high95.1Very high64 Ų6448.8 Ų48.845%0.44829%0.289SS..  trans-88.5143.1178.1-42.20000110.9I88 D89 S90S38-I88 CarbonylContact C-O 3.48Å; S38-I88 VanDerWaalsContact CA-O 3.24Å; S38-I88 WeakPolarHBondContact CA-O 3.49Å; S38-D89 WeakPolarHBondContact CB-OD1 3.06Å; S38-D89 PolarHBondContact OG-OD1 2.84Å; S38-S90 PolarHBondContact OG-N 2.95Å
39V97.1Very high94.4Very high10 Ų1058.1 Ų58.16%0.06132%0.324CS..EExtended strand (participates in β ladder)trans-137.3144.7-172.960.50000111.6V33 I88 A91 L115V33-V39 HydrophobicContact CB-CB 4.18Å; V33-V39 HydrophobicContact CB-CG1 4.44Å; V33-V39 HydrophobicContact CB-CG2 4.42Å; V33-V39 HydrophobicContact CG1-CG1 4.26Å; V33-V39 HydrophobicContact CG2-CB 3.97Å; V33-V39 HydrophobicContact CG2-CG1 4.35Å; V39-I88 HydrophobicContact CG1-CB 3.92Å; V39-I88 HydrophobicContact CG1-CD1 4.4Å; V39-I88 HydrophobicContact CG1-CG1 4.42Å; V39-I88 PolarHBondContact N-O 3.49Å; V39-I88 PolarHBondContact O-N 3.3Å; V39-A91 HydrophobicContact CG1-CB 4.49Å; V39-L115 HydrophobicContact CG1-CD1 4.19Å; V39-L115 HydrophobicContact CG1-CD2 4Å; V39-L115 HydrophobicContact CG2-CD1 4.07Å
40T96.8Very high93.8Very high64 Ų6452 Ų5239%0.39330%0.301SS..EExtended strand (participates in β ladder)trans-121.5119.2179.8-57.10000111.2Q31 P42 L86Q31-T40 PolarHBondContact NE2-O 3.15Å; Q31-T40 PolarHBondContact OE1-O 2.71Å; T40-P42 WeakPolarHBondContact O-CD 3.35Å; T40-L86 CarbonylContact C-O 3.58Å; T40-L86 WeakPolarHBondContact CA-O 3.2Å
41L96.7Very high93.2Very high0 Ų051 Ų510%029%0.294CS..EExtended strand (participates in β ladder)trans-91.3112.2173.1-56.2-177.2000109P28 Q31 W54 S85 L86 Y99P28-L41 HydrophobicContact CB-CB 4.25Å; Q31-L41 HydrophobicContact CB-CD2 4.29Å; Q31-L41 HydrophobicContact CG-CD2 4.28Å; L41-W54 HydrophobicContact CB-CH2 3.61Å; L41-W54 HydrophobicContact CB-CZ2 4.3Å; L41-W54 HydrophobicContact CB-CZ3 4.06Å; L41-W54 HydrophobicContact CD1-CZ3 4.21Å; L41-W54 WeakPolarHBondContact O-CZ2 3.47Å; L41-S85 CarbonylContact O-C 3.52Å; L41-S85 WeakPolarHBondContact O-CA 3.3Å; L41-S85 WeakPolarHBondContact O-CB 3.46Å; L41-L86 HydrophobicContact CB-CB 4.36Å; L41-L86 PolarHBondContact N-O 3.05Å; L41-L86 PolarHBondContact O-N 3.04Å; L41-Y99 HydrophobicContact CD1-CD1 4.1Å; L41-Y99 HydrophobicContact CD1-CD2 3.67Å; L41-Y99 HydrophobicContact CD1-CE2 4.36Å; L41-Y99 HydrophobicContact CD1-CG 3.52Å
42P95.8Very high92.9Very high30 Ų3048.5 Ų48.520%0.19528%0.282CS..  trans-72.3137.1-173.228.3-34.7000111.9Q26 Q27 P28 T40 S85Q26-P42 HydrophobicContact CB-CB 4.44Å; Q27-P42 CarbonylContact C-O 3.58Å; Q27-P42 VanDerWaalsContact C-O 3.25Å; P28-P42 WeakPolarHBondContact CA-O 3.47Å; P28-P42 WeakPolarHBondContact CD-O 3.44Å; T40-P42 WeakPolarHBondContact O-CD 3.35Å; P42-S85 WeakPolarHBondContact CA-OG 3.45Å
43C94.9Very high92.8Very high0 Ų046 Ų460%026%0.264CS..  trans-146.8118.8166.4-1760000109.6W54 H84 S85 C101C43-W54 HydrophobicContact CB-CH2 4.1Å; C43-W54 HydrophobicContact CB-CZ2 3.39Å; C43-H84 CarbonylContact O-C 3.6Å; C43-H84 PolarHBondContact O-N 2.81Å; C43-S85 PolarHBondContact N-OG 2.6Å; C43-S85 VanDerWaalsContact N-OG 3.16Å; C43-C101 HydrophobicContact CB-CB 3.77Å; C43-C101 WeakPolarHBondContact CB-SG 3.35Å; C43-C101 WeakPolarHBondContact SG-CB 3.41Å; C43-C101 CovalentContact SG-SG 2.04Å; C43-C101 PolarHBondContact SG-SG 3Å
44V94.6Very high92.7Very high15 Ų1545.7 Ų45.79%0.09126%0.262CS..EExtended strand (participates in β ladder)trans-136.8120.8-179.1-173.10000109.3F24 S25 Q26 G82 E83F24-V44 CarbonylContact C-O 3.57Å; F24-V44 VanDerWaalsContact CA-O 3.32Å; F24-V44 WeakPolarHBondContact CA-O 3.44Å; S25-V44 PolarHBondContact N-O 2.9Å; S25-V44 WeakPolarHBondContact OG-CB 3.49Å; S25-V44 WeakPolarHBondContact OG-CG1 3.45Å; S25-V44 PolarHBondContact OG-O 3.43Å; Q26-V44 HydrophobicContact CB-CB 4.02Å; Q26-V44 HydrophobicContact CB-CG2 3.97Å; Q26-V44 HydrophobicContact CG-CB 4.27Å; Q26-V44 HydrophobicContact CG-CG2 4.15Å; Q26-V44 PolarHBondContact N-O 2.95Å; Q26-V44 PolarHBondContact O-N 3.3Å; V44-G82 CarbonylContact C-O 3.46Å; V44-G82 WeakPolarHBondContact CA-O 3.42Å; V44-E83 HydrophobicContact CG1-CG 3.94Å; V44-E83 HydrophobicContact CG2-CB 4.43Å; V44-E83 HydrophobicContact CG2-CG 3.94Å
45I93.8Very high92.6Very high0 Ų044.7 Ų44.70%026%0.256CS..EExtended strand (participates in β ladder)trans-117.996.6-171.6-45.6-175.5000109.7A22 Y23 F24 G47 Y48 V52 G82 A103 L108A22-I45 HydrophobicContact CB-CG2 4.28Å; Y23-I45 CarbonylContact O-C 3.45Å; Y23-I45 WeakPolarHBondContact O-CA 3.34Å; F24-I45 HydrophobicContact CD1-CD1 4.16Å; F24-I45 HydrophobicContact CD1-CG1 3.71Å; F24-I45 HydrophobicContact CE1-CD1 3.59Å; F24-I45 HydrophobicContact CE1-CG1 3.69Å; F24-I45 HydrophobicContact CZ-CD1 4.18Å; I45-G47 PolarHBondContact O-N 3.2Å; I45-Y48 HydrophobicContact CG2-CG 4.38Å; I45-Y48 PolarHBondContact O-N 2.95Å; I45-V52 HydrophobicContact CD1-CG1 4.32Å; I45-V52 HydrophobicContact CD1-CG2 3.85Å; I45-G82 PolarHBondContact N-O 3.08Å; I45-A103 HydrophobicContact CD1-CB 3.71Å; I45-L108 HydrophobicContact CG2-CD1 3.85Å
46V90.9Very high92.6Very high53 Ų5341.2 Ų41.232%0.32124%0.239SC..EExtended strand (participates in β ladder)trans-72130.4-179.5176.10000109.7A22 Y23A22-V46 WeakPolarHBondContact CA-O 3.34Å; Y23-V46 HydrophobicContact CD1-CB 4.28Å; Y23-V46 HydrophobicContact CE1-CB 3.74Å; Y23-V46 HydrophobicContact CE1-CG1 3.7Å; Y23-V46 HydrophobicContact CE2-CB 4.37Å; Y23-V46 PolarHBondContact N-O 3.35Å; Y23-V46 PolarHBondContact O-N 3.42Å
47G86.9Confident92.6Very high65 Ų6544.3 Ų44.367%0.6725%0.245SC*.THydrogen-bonded Turntrans87.33-179.700000114.9I45I45-G47 PolarHBondContact O-N 3.2Å
48Y87.6Confident92.3Very high21 Ų2142 Ų428%0.08225%0.25CS..  trans-109.9149.7172.4-172.9-111000111.2I45 G50 M51 V52 A103 Q105 A106I45-Y48 HydrophobicContact CG2-CG 4.38Å; I45-Y48 PolarHBondContact O-N 2.95Å; Y48-G50 WeakPolarHBondContact CE1-O 3.08Å; Y48-G50 VanDerWaalsContact CZ-CA 3.43Å; Y48-M51 WeakPolarHBondContact CE1-O 3.25Å; Y48-M51 PolarHBondContact OH-O 3.25Å; Y48-V52 HydrophobicContact CD1-CG2 3.86Å; Y48-V52 HydrophobicContact CE1-CG2 3.56Å; Y48-A103 HydrophobicContact CD1-CB 4.01Å; Y48-A103 HydrophobicContact CE1-CB 3.57Å; Y48-A103 HydrophobicContact CE2-CB 4.22Å; Y48-A103 HydrophobicContact CG-CB 4.47Å; Y48-Q105 HydrophobicContact CE2-CB 4.36Å; Y48-A106 HydrophobicContact CD2-CB 3.75Å; Y48-A106 HydrophobicContact CE2-CB 3.65Å
49R81.4Confident92.2Very high198 Ų19844 Ų4475%0.74726%0.256SS*.  trans-144.315177.4-71.5-173.8169.2166.2-2.7113L80R49-L80 PolarHBondContact NE-O 3.41Å
50G83.8Confident92Very high21 Ų2145.7 Ų45.722%0.21627%0.27CS..SBendtrans-87.6-174.9175.700000111.7Y48Y48-G50 WeakPolarHBondContact CE1-O 3.08Å; Y48-G50 VanDerWaalsContact CZ-CA 3.43Å
51M85.4Confident91.7Very high98 Ų9843 Ų4348%0.48325%0.254SS..  trans-66.8142.3172.165.6-173.5-65.100111.4Y48Y48-M51 WeakPolarHBondContact CE1-O 3.25Å; Y48-M51 PolarHBondContact OH-O 3.25Å
52V91.5Very high91.2Very high1 Ų144.2 Ų44.21%0.00627%0.266CS..  trans-120.9132.1172.1178.10000107.9I45 Y48 G63 H84 C101 A103I45-V52 HydrophobicContact CD1-CG1 4.32Å; I45-V52 HydrophobicContact CD1-CG2 3.85Å; Y48-V52 HydrophobicContact CD1-CG2 3.86Å; Y48-V52 HydrophobicContact CE1-CG2 3.56Å; V52-G63 VanDerWaalsContact O-CA 3.22Å; V52-G63 WeakPolarHBondContact O-CA 3.49Å; V52-H84 HydrophobicContact CB-CB 3.88Å; V52-H84 HydrophobicContact CG1-CB 3.88Å; V52-H84 HydrophobicContact CG2-CB 4.25Å; V52-H84 WeakPolarHBondContact CG2-CD2 3.33Å; V52-H84 WeakPolarHBondContact CG2-NE2 3.41Å; V52-C101 WeakPolarHBondContact CG1-SG 3.44Å; V52-A103 HydrophobicContact CG2-CB 4.22Å
53Q92.8Very high90.6Very high47 Ų4744.1 Ų44.122%0.2227%0.271CS..EExtended strand (participates in β ladder)trans-113.1138.2-178.6175.2177.4-86.300109.8A60 G62 Q102Q53-A60 HydrophobicContact CG-CB 4.36Å; Q53-G62 WeakPolarHBondContact CA-O 3.32Å; Q53-Q102 PolarHBondContact N-O 2.98Å; Q53-Q102 PolarHBondContact O-N 2.62Å
54W95.7Very high90.2Very high0 Ų050.5 Ų50.50%030%0.3CS..EExtended strand (participates in β ladder)trans-95.6151.1166.6-78.685.1000111.7P28 L41 C43 L61 G62 L75 H84 L86 C101P28-W54 HydrophobicContact CB-CH2 3.85Å; P28-W54 HydrophobicContact CB-CZ3 4.21Å; P28-W54 HydrophobicContact CG-CH2 3.76Å; P28-W54 HydrophobicContact CG-CZ3 3.93Å; L41-W54 HydrophobicContact CB-CH2 3.61Å; L41-W54 HydrophobicContact CB-CZ2 4.3Å; L41-W54 HydrophobicContact CB-CZ3 4.06Å; L41-W54 HydrophobicContact CD1-CZ3 4.21Å; L41-W54 WeakPolarHBondContact O-CZ2 3.47Å; C43-W54 HydrophobicContact CB-CH2 4.1Å; C43-W54 HydrophobicContact CB-CZ2 3.39Å; W54-L61 HydrophobicContact CB-CD1 4.01Å; W54-L61 PolarHBondContact O-N 3.47Å; W54-G62 PolarHBondContact N-O 3.35Å; W54-L75 VanDerWaalsContact CD1-CD2 3.48Å; W54-H84 PolarHBondContact NE1-O 3.07Å; W54-L86 HydrophobicContact CB-CD1 4.45Å; W54-L86 HydrophobicContact CB-CD2 4.18Å; W54-L86 HydrophobicContact CD2-CB 3.79Å; W54-L86 HydrophobicContact CD2-CD2 4.03Å; W54-L86 HydrophobicContact CD2-CG 4.44Å; W54-L86 HydrophobicContact CE3-CB 4.34Å; W54-L86 HydrophobicContact CE3-CD2 4.14Å; W54-L86 HydrophobicContact CG-CB 4.07Å; W54-L86 HydrophobicContact CG-CD1 4.27Å; W54-L86 HydrophobicContact CG-CD2 4.08Å; W54-L86 HydrophobicContact CG-CG 4.39Å; W54-L86 HydrophobicContact CH2-CB 4.38Å; W54-L86 HydrophobicContact CZ2-CB 3.85Å; W54-C101 HydrophobicContact CD2-CB 4.04Å; W54-C101 HydrophobicContact CE3-CB 4.1Å; W54-C101 HydrophobicContact CH2-CB 3.96Å; W54-C101 HydrophobicContact CZ2-CB 3.87Å; W54-C101 HydrophobicContact CZ3-CB 4.05Å
55T95.1Very high89.8Confident6 Ų655.4 Ų55.44%0.03732%0.317CS..EExtended strand (participates in β ladder)trans-121.5152.5169.356.90000111.4L59 Y99 E100 Q102T55-L59 CarbonylContact C-O 3.55Å; T55-L59 WeakPolarHBondContact CA-O 3.34Å; T55-L59 WeakPolarHBondContact CB-O 3.32Å; T55-Y99 VanDerWaalsContact O-CA 3.25Å; T55-Y99 WeakPolarHBondContact O-CA 3.37Å; T55-Y99 WeakPolarHBondContact O-CD1 3.47Å; T55-E100 PolarHBondContact N-O 3.11Å; T55-E100 PolarHBondContact O-N 2.9Å; T55-E100 WeakPolarHBondContact OG1-CB 3.4Å; T55-E100 PolarHBondContact OG1-O 3.29Å; T55-E100 VanDerWaalsContact OG1-O 3.13Å; T55-Q102 PolarHBondContact OG1-NE2 2.89Å
56K95.7Very high89.4Confident19 Ų1961.2 Ų61.28%0.08335%0.348CS..EExtended strand (participates in β ladder)trans-129.3112.2177.7178.7179179.7175.80108.1G58 L59 L61 W70 Y73 A94 D95 A97 Y99K56-G58 PolarHBondContact O-N 2.94Å; K56-G58 VanDerWaalsContact O-N 3.08Å; K56-L59 PolarHBondContact N-O 3.32Å; K56-L59 WeakPolarHBondContact O-CB 3.43Å; K56-L59 PolarHBondContact O-N 2.92Å; K56-L61 HydrophobicContact CB-CD1 4.34Å; K56-L61 HydrophobicContact CB-CD2 3.81Å; K56-L61 HydrophobicContact CB-CG 4.23Å; K56-L61 HydrophobicContact CD-CD2 4.36Å; K56-W70 HydrophobicContact CD-CH2 4.33Å; K56-W70 HydrophobicContact CD-CZ3 4.21Å; K56-Y73 WeakPolarHBondContact CE-OH 3.48Å; K56-Y73 PolarHBondContact NZ-OH 3.45Å; K56-A94 WeakPolarHBondContact CE-O 3.4Å; K56-A94 PolarHBondContact NZ-O 3.3Å; K56-D95 IonicContact NZ-OD1 2.75Å; K56-D95 PolarHBondContact NZ-OD1 3.15Å; K56-A97 HydrophobicContact CD-CB 4.4Å; K56-A97 HydrophobicContact CG-CB 3.61Å; K56-Y99 HydrophobicContact CB-CD1 4.08Å; K56-Y99 HydrophobicContact CB-CE1 3.68Å; K56-Y99 HydrophobicContact CD-CE1 3.98Å; K56-Y99 WeakPolarHBondContact CE-OH 3.45Å; K56-Y99 HydrophobicContact CG-CD1 4.41Å; K56-Y99 HydrophobicContact CG-CE1 3.65Å
57D94.9Very high89.4Confident109 Ų10958.7 Ų58.758%0.58333%0.333SS*.THydrogen-bonded Turntrans48.931.7-168.5-62.3-40.3000113.3A97 V98D57-A97 WeakPolarHBondContact OD1-CA 3.07Å; D57-A97 WeakPolarHBondContact OD2-CB 3.49Å; D57-V98 PolarHBondContact N-O 3.27Å; D57-V98 PolarHBondContact OD1-N 3.37Å
58G90.8Very high89.4Confident60 Ų6059.7 Ų59.762%0.61933%0.328SS*.THydrogen-bonded Turntrans88.7-14-176.900000115.7K56K56-G58 PolarHBondContact O-N 2.94Å; K56-G58 VanDerWaalsContact O-N 3.08Å
59L93.9Very high89.3Confident107 Ų10762.2 Ų62.256%0.5636%0.36SS*.EExtended strand (participates in β ladder)trans-72.5130.6172.6178.662.1000110.4T55 K56 W70T55-L59 CarbonylContact C-O 3.55Å; T55-L59 WeakPolarHBondContact CA-O 3.34Å; T55-L59 WeakPolarHBondContact CB-O 3.32Å; K56-L59 PolarHBondContact N-O 3.32Å; K56-L59 WeakPolarHBondContact O-CB 3.43Å; K56-L59 PolarHBondContact O-N 2.92Å; L59-W70 HydrophobicContact CD2-CH2 4.19Å; L59-W70 HydrophobicContact CD2-CZ2 3.84Å
60A92.6Very high89.7Confident45 Ų4556.2 Ų56.237%0.37234%0.338SS..EExtended strand (participates in β ladder)trans-69.6129.2175.600000112Q53Q53-A60 HydrophobicContact CG-CB 4.36Å
61L91.8Very high90Very high9 Ų962.1 Ų62.15%0.04737%0.369CS..EExtended strand (participates in β ladder)trans-86.2-20.5173.5-58.3-178000112.5W54 K56 L67 W70 Y73 L86 Y99W54-L61 HydrophobicContact CB-CD1 4.01Å; W54-L61 PolarHBondContact O-N 3.47Å; K56-L61 HydrophobicContact CB-CD1 4.34Å; K56-L61 HydrophobicContact CB-CD2 3.81Å; K56-L61 HydrophobicContact CB-CG 4.23Å; K56-L61 HydrophobicContact CD-CD2 4.36Å; L61-L67 HydrophobicContact CB-CD2 4.39Å; L61-W70 HydrophobicContact CD2-CD2 3.78Å; L61-W70 VanDerWaalsContact CD2-CE2 3.42Å; L61-W70 HydrophobicContact CD2-CE3 4.26Å; L61-W70 HydrophobicContact CD2-CG 4.27Å; L61-W70 HydrophobicContact CD2-CH2 4.13Å; L61-W70 HydrophobicContact CD2-CZ2 3.62Å; L61-W70 HydrophobicContact CD2-CZ3 4.43Å; L61-Y73 HydrophobicContact CD1-CD1 3.92Å; L61-Y73 HydrophobicContact CD1-CE1 4.02Å; L61-L86 HydrophobicContact CD1-CD1 4.36Å; L61-L86 HydrophobicContact CD1-CD2 3.81Å; L61-Y99 HydrophobicContact CD1-CE1 4.35Å
62G86.1Confident90.5Very high25 Ų2559.6 Ų59.626%0.25836%0.355SS..EExtended strand (participates in β ladder)trans108.3180-170.100000112.6Q53 W54Q53-G62 WeakPolarHBondContact CA-O 3.32Å; W54-G62 PolarHBondContact N-O 3.35Å
63G82.4Confident90.7Very high28 Ų2859.9 Ų59.929%0.28936%0.356SS..SBendtrans-131.913.7177.600000114V52V52-G63 VanDerWaalsContact O-CA 3.22Å; V52-G63 WeakPolarHBondContact O-CA 3.49Å
64E85.8Confident90.7Very high133 Ų13359 Ų5962%0.62136%0.355SS*.SBendtrans-85.7155.9171.9-68.8173.8-137.200110.1D66 L67 L75E64-D66 VanDerWaalsContact C-N 3.33Å; E64-D66 PolarHBondContact O-N 3Å; E64-L67 VanDerWaalsContact O-CD2 3.27Å; E64-L67 WeakPolarHBondContact O-CD2 3.41Å; E64-L67 WeakPolarHBondContact O-CG 3.38Å; E64-L67 PolarHBondContact O-N 3.39Å; E64-L75 WeakPolarHBondContact O-CD1 3.38Å
65R86.8Confident90.6Very high118 Ų11859.6 Ų59.645%0.44536%0.358SS..THydrogen-bonded Turntrans-61.6-41.1-173.7-170.5176.1-73.9-83.211.6112.7S74 L75 G77R65-S74 CarbonylContact O-C 3.56Å; R65-S74 VanDerWaalsContact O-CA 3.27Å; R65-S74 WeakPolarHBondContact O-CA 3.39Å; R65-L75 WeakPolarHBondContact CG-O 3.27Å; R65-L75 PolarHBondContact NH1-O 2.94Å; R65-L75 PolarHBondContact O-N 3.38Å; R65-G77 PolarHBondContact NH1-O 3.29Å; R65-G77 PolarHBondContact NH2-O 2.87Å
66D86.3Confident90.4Very high122 Ų12263.9 Ų63.965%0.65238%0.378SS*.THydrogen-bonded Turntrans-103.113.7-170.9-45.7-44.8000112.8E64E64-D66 VanDerWaalsContact C-N 3.33Å; E64-D66 PolarHBondContact O-N 3Å
67L90.3Very high90Very high0 Ų064.3 Ų64.30%039%0.389CS..  trans34.967.6171.7-63172.7000114.3L61 E64 G69 W70 L75 L86L61-L67 HydrophobicContact CB-CD2 4.39Å; E64-L67 VanDerWaalsContact O-CD2 3.27Å; E64-L67 WeakPolarHBondContact O-CD2 3.41Å; E64-L67 WeakPolarHBondContact O-CG 3.38Å; E64-L67 PolarHBondContact O-N 3.39Å; L67-G69 PolarHBondContact O-N 2.62Å; L67-W70 HydrophobicContact CB-CB 4.36Å; L67-W70 WeakPolarHBondContact O-CB 3.44Å; L67-W70 PolarHBondContact O-N 3.36Å; L67-L75 HydrophobicContact CD1-CD2 4.03Å; L67-L75 HydrophobicContact CD1-CG 4.22Å; L67-L75 HydrophobicContact CD2-CD1 4.4Å; L67-L75 HydrophobicContact CD2-CG 4.31Å; L67-L75 HydrophobicContact CG-CG 4.3Å; L67-L86 HydrophobicContact CD1-CD1 3.46Å; L67-L86 VanDerWaalsContact CD1-CD1 3.46Å
68P86.5Confident89.7Confident87 Ų8762.5 Ų62.557%0.56538%0.379SS*.THydrogen-bonded Turntrans-55.8128.2-169.420.9-33000112.9
69G85.5Confident89.4Confident74 Ų7462.2 Ų62.276%0.76337%0.366SS*.THydrogen-bonded Turntrans100.4-18.3-171.100000114L67L67-G69 PolarHBondContact O-N 2.62Å
70W89.9Confident88.9Confident72 Ų7262.8 Ų62.827%0.27337%0.369SS..  trans-114.771.1178.5-60.595.1000110.8K56 L59 L61 L67 R72 Y73K56-W70 HydrophobicContact CD-CH2 4.33Å; K56-W70 HydrophobicContact CD-CZ3 4.21Å; L59-W70 HydrophobicContact CD2-CH2 4.19Å; L59-W70 HydrophobicContact CD2-CZ2 3.84Å; L61-W70 HydrophobicContact CD2-CD2 3.78Å; L61-W70 VanDerWaalsContact CD2-CE2 3.42Å; L61-W70 HydrophobicContact CD2-CE3 4.26Å; L61-W70 HydrophobicContact CD2-CG 4.27Å; L61-W70 HydrophobicContact CD2-CH2 4.13Å; L61-W70 HydrophobicContact CD2-CZ2 3.62Å; L61-W70 HydrophobicContact CD2-CZ3 4.43Å; L67-W70 HydrophobicContact CB-CB 4.36Å; L67-W70 WeakPolarHBondContact O-CB 3.44Å; L67-W70 PolarHBondContact O-N 3.36Å; W70-R72 PolarHBondContact O-N 3.31Å; W70-Y73 HydrophobicContact CB-CD2 3.85Å; W70-Y73 HydrophobicContact CB-CG 4.01Å; W70-Y73 HydrophobicContact CE3-CD2 4.14Å; W70-Y73 AromaticContact CE3-CE2 3.94Å; W70-Y73 HydrophobicContact CE3-CE2 3.94Å; W70-Y73 WeakPolarHBondContact O-CB 3.36Å; W70-Y73 PolarHBondContact O-N 2.99Å
71T90.8Very high88.5Confident144 Ų14463.1 Ų63.188%0.88337%0.369SS*.THydrogen-bonded Turntrans-58.2-14.1-168.952.80000116.9
72R94.6Very high88.3Confident45 Ų4562.7 Ų62.717%0.1737%0.367CS..THydrogen-bonded Turntrans-100.3-2.9174.1-67.4-167-63.787.35.2114.2W70 D89 S90 E92 D95W70-R72 PolarHBondContact O-N 3.31Å; R72-D89 WeakPolarHBondContact CB-O 3.49Å; R72-D89 WeakPolarHBondContact CD-O 3.4Å; R72-D89 PolarHBondContact NH1-O 3.19Å; R72-D89 PolarHBondContact O-N 2.79Å; R72-S90 PolarHBondContact NH1-O 3.23Å; R72-E92 IonicContact CZ-OE1 2.95Å; R72-E92 IonicContact CZ-OE2 2.74Å; R72-E92 IonicContact NE-OE1 3.18Å; R72-E92 PolarHBondContact NE-OE1 2.86Å; R72-E92 IonicContact NE-OE2 2.66Å; R72-E92 PolarHBondContact NE-OE2 3.47Å; R72-E92 IonicContact NH2-OE1 2.69Å; R72-E92 IonicContact NH2-OE2 2.69Å; R72-E92 PolarHBondContact NH2-OE2 2.76Å; R72-D95 IonicContact CZ-OD2 2.9Å; R72-D95 IonicContact NH1-OD2 3.19Å; R72-D95 PolarHBondContact NH1-OD2 2.85Å; R72-D95 VanDerWaalsContact NH2-CG 3.3Å; R72-D95 IonicContact NH2-OD1 3.66Å; R72-D95 PolarHBondContact NH2-OD1 3.34Å; R72-D95 IonicContact NH2-OD2 2.73Å; R72-D95 PolarHBondContact NH2-OD2 2.88Å
73Y95.8Very high88.6Confident8 Ų865.1 Ų65.13%0.03137%0.371CS..EExtended strand (participates in β ladder)trans-109.8139-173.8-73.4-108000110.7K56 L61 W70 L86 L87 I88 D95 Y99K56-Y73 WeakPolarHBondContact CE-OH 3.48Å; K56-Y73 PolarHBondContact NZ-OH 3.45Å; L61-Y73 HydrophobicContact CD1-CD1 3.92Å; L61-Y73 HydrophobicContact CD1-CE1 4.02Å; W70-Y73 HydrophobicContact CB-CD2 3.85Å; W70-Y73 HydrophobicContact CB-CG 4.01Å; W70-Y73 HydrophobicContact CE3-CD2 4.14Å; W70-Y73 AromaticContact CE3-CE2 3.94Å; W70-Y73 HydrophobicContact CE3-CE2 3.94Å; W70-Y73 WeakPolarHBondContact O-CB 3.36Å; W70-Y73 PolarHBondContact O-N 2.99Å; Y73-L86 HydrophobicContact CD1-CD1 4.09Å; Y73-L86 HydrophobicContact CD1-CD2 4.05Å; Y73-L86 HydrophobicContact CD1-CG 4.23Å; Y73-L86 HydrophobicContact CE1-CD2 4.2Å; Y73-L87 WeakPolarHBondContact CA-O 3.46Å; Y73-I88 HydrophobicContact CD1-CD1 4.15Å; Y73-I88 HydrophobicContact CD1-CG1 3.72Å; Y73-I88 HydrophobicContact CD2-CG2 4.49Å; Y73-I88 HydrophobicContact CE1-CB 4.44Å; Y73-I88 HydrophobicContact CE1-CD1 3.41Å; Y73-I88 VanDerWaalsContact CE1-CD1 3.41Å; Y73-I88 HydrophobicContact CE1-CG1 3.51Å; Y73-I88 HydrophobicContact CE1-CG2 4.23Å; Y73-I88 HydrophobicContact CE2-CG2 4.14Å; Y73-I88 HydrophobicContact CG-CG1 4.49Å; Y73-D95 VanDerWaalsContact OH-CG 3.23Å; Y73-D95 PolarHBondContact OH-OD1 3.26Å; Y73-Y99 AromaticContact CE1-CE1 3.95Å; Y73-Y99 HydrophobicContact CE1-CE1 3.95Å; Y73-Y99 PolarHBondContact OH-OH 2.99Å
74S94.4Very high89.1Confident29 Ų2964.3 Ų64.320%0.20336%0.36CS..EExtended strand (participates in β ladder)trans-151.2158.1173.4560000112.4R65 L87R65-S74 CarbonylContact O-C 3.56Å; R65-S74 VanDerWaalsContact O-CA 3.27Å; R65-S74 WeakPolarHBondContact O-CA 3.39Å; S74-L87 PolarHBondContact N-O 2.95Å; S74-L87 PolarHBondContact O-N 2.85Å
75L92.9Very high89.5Confident11 Ų1158.8 Ų58.86%0.05834%0.336CS..EExtended strand (participates in β ladder)trans-94.8124.2174.4-56-178.1000110.3W54 E64 R65 L67 S85 L86W54-L75 VanDerWaalsContact CD1-CD2 3.48Å; E64-L75 WeakPolarHBondContact O-CD1 3.38Å; R65-L75 WeakPolarHBondContact CG-O 3.27Å; R65-L75 PolarHBondContact NH1-O 2.94Å; R65-L75 PolarHBondContact O-N 3.38Å; L67-L75 HydrophobicContact CD1-CD2 4.03Å; L67-L75 HydrophobicContact CD1-CG 4.22Å; L67-L75 HydrophobicContact CD2-CD1 4.4Å; L67-L75 HydrophobicContact CD2-CG 4.31Å; L67-L75 HydrophobicContact CG-CG 4.3Å; L75-S85 CarbonylContact C-O 3.56Å; L75-S85 WeakPolarHBondContact CA-O 3.49Å; L75-L86 HydrophobicContact CD2-CD1 3.74Å
76M90.9Very high90Very high96 Ų9653.2 Ų53.247%0.47332%0.315SS..EExtended strand (participates in β ladder)trans-109.7147.5-177.9-68.6-66-8400111.6S85 L87M76-S85 PolarHBondContact N-O 2.82Å; M76-S85 PolarHBondContact O-N 3.2Å; M76-L87 HydrophobicContact CE-CD2 4.32Å; M76-L87 HydrophobicContact CG-CB 3.56Å; M76-L87 HydrophobicContact CG-CD2 3.86Å; M76-L87 HydrophobicContact CG-CG 4.36Å; M76-L87 HydrophobicContact SD-CD2 4.14Å
77G87.3Confident90.4Very high29 Ų2949 Ų4930%0.29929%0.292SS..SBendtrans103.3-179.3-17400000114R65 E83R65-G77 PolarHBondContact NH1-O 3.29Å; R65-G77 PolarHBondContact NH2-O 2.87Å; G77-E83 VanDerWaalsContact CA-OE2 3.29Å; G77-E83 WeakPolarHBondContact CA-OE2 3.5Å
78D88.1Confident90.8Very high71 Ų7149 Ų4938%0.3829%0.292SS..  trans-98.8115.8176.1177.222.5000113.1L80 S81 G82 E83D78-L80 PolarHBondContact O-N 2.83Å; D78-L80 VanDerWaalsContact O-N 3.13Å; D78-L80 WeakPolarHBondContact OD1-CB 3.42Å; D78-L80 PolarHBondContact OD1-N 3.05Å; D78-L80 WeakPolarHBondContact OD2-CB 3.47Å; D78-S81 PolarHBondContact O-N 2.88Å; D78-S81 PolarHBondContact O-OG 3.16Å; D78-S81 PolarHBondContact OD2-N 2.98Å; D78-G82 PolarHBondContact O-N 2.76Å; D78-G82 VanDerWaalsContact O-N 3.09Å; D78-E83 CarbonylContact C-O 3.6Å; D78-E83 PolarHBondContact N-OE2 3.49Å; D78-E83 PolarHBondContact O-N 3.5Å
79P84.4Confident91.2Very high53 Ų5348.9 Ų48.934%0.34429%0.287SS..THydrogen-bonded Turntrans-58.1-19.8171.6-27.837.2000115.5
80L83.6Confident91.7Very high119 Ų11947.6 Ų47.662%0.62327%0.266SS*.THydrogen-bonded Turntrans-82-26.9178.8-57.8174.8000113.2R49 D78R49-L80 PolarHBondContact NE-O 3.41Å; D78-L80 PolarHBondContact O-N 2.83Å; D78-L80 VanDerWaalsContact O-N 3.13Å; D78-L80 WeakPolarHBondContact OD1-CB 3.42Å; D78-L80 PolarHBondContact OD1-N 3.05Å; D78-L80 WeakPolarHBondContact OD2-CB 3.47Å
81S85.2Confident92Very high53 Ų5344.1 Ų44.137%0.37125%0.253SS..THydrogen-bonded Turntrans-83-18.8166.673.60000112.6D78 E83D78-S81 PolarHBondContact O-N 2.88Å; D78-S81 PolarHBondContact O-OG 3.16Å; D78-S81 PolarHBondContact OD2-N 2.98Å; S81-E83 WeakPolarHBondContact OG-CG 3.12Å; S81-E83 PolarHBondContact OG-OE1 3.21Å
82G87.2Confident92.2Very high0 Ų041.2 Ų41.20%023%0.229CC..THydrogen-bonded Turntrans96.820.7-179.800000113.6V44 I45 D78 H84V44-G82 CarbonylContact C-O 3.46Å; V44-G82 WeakPolarHBondContact CA-O 3.42Å; I45-G82 PolarHBondContact N-O 3.08Å; D78-G82 PolarHBondContact O-N 2.76Å; D78-G82 VanDerWaalsContact O-N 3.09Å; G82-H84 VanDerWaalsContact C-CD2 3.47Å; G82-H84 PolarHBondContact O-CD2 2.96Å; G82-H84 VanDerWaalsContact O-CD2 3.23Å
83E92Very high92.1Very high75 Ų7540.4 Ų40.435%0.3523%0.228SC..BIsolated β-bridgetrans-89.9125.9177.5-66.3158-148.600111.7V44 G77 D78 S81V44-E83 HydrophobicContact CG1-CG 3.94Å; V44-E83 HydrophobicContact CG2-CB 4.43Å; V44-E83 HydrophobicContact CG2-CG 3.94Å; G77-E83 VanDerWaalsContact CA-OE2 3.29Å; G77-E83 WeakPolarHBondContact CA-OE2 3.5Å; D78-E83 CarbonylContact C-O 3.6Å; D78-E83 PolarHBondContact N-OE2 3.49Å; D78-E83 PolarHBondContact O-N 3.5Å; S81-E83 WeakPolarHBondContact OG-CG 3.12Å; S81-E83 PolarHBondContact OG-OE1 3.21Å
84H93.1Very high92Very high11 Ų1142.7 Ų42.75%0.05125%0.249CC..  trans-142.645.1-175.9-56-87000110.8C43 V52 W54 G82C43-H84 CarbonylContact O-C 3.6Å; C43-H84 PolarHBondContact O-N 2.81Å; V52-H84 HydrophobicContact CB-CB 3.88Å; V52-H84 HydrophobicContact CG1-CB 3.88Å; V52-H84 HydrophobicContact CG2-CB 4.25Å; V52-H84 WeakPolarHBondContact CG2-CD2 3.33Å; V52-H84 WeakPolarHBondContact CG2-NE2 3.41Å; W54-H84 PolarHBondContact NE1-O 3.07Å; G82-H84 VanDerWaalsContact C-CD2 3.47Å; G82-H84 PolarHBondContact O-CD2 2.96Å; G82-H84 VanDerWaalsContact O-CD2 3.23Å
85S95.1Very high92Very high18 Ų1841.3 Ų41.313%0.12624%0.239CC..EExtended strand (participates in β ladder)trans-74.8137.2-174.5-58.60000111.1L41 P42 C43 L75 M76L41-S85 CarbonylContact O-C 3.52Å; L41-S85 WeakPolarHBondContact O-CA 3.3Å; L41-S85 WeakPolarHBondContact O-CB 3.46Å; P42-S85 WeakPolarHBondContact CA-OG 3.45Å; C43-S85 PolarHBondContact N-OG 2.6Å; C43-S85 VanDerWaalsContact N-OG 3.16Å; L75-S85 CarbonylContact C-O 3.56Å; L75-S85 WeakPolarHBondContact CA-O 3.49Å; M76-S85 PolarHBondContact N-O 2.82Å; M76-S85 PolarHBondContact O-N 3.2Å
86L95.9Very high92.1Very high0 Ų041.6 Ų41.60%024%0.241CC..EExtended strand (participates in β ladder)trans-87.5113.9-179-173.468.1000110.5T40 L41 W54 L61 L67 Y73 L75 I88 Y99T40-L86 CarbonylContact C-O 3.58Å; T40-L86 WeakPolarHBondContact CA-O 3.2Å; L41-L86 HydrophobicContact CB-CB 4.36Å; L41-L86 PolarHBondContact N-O 3.05Å; L41-L86 PolarHBondContact O-N 3.04Å; W54-L86 HydrophobicContact CB-CD1 4.45Å; W54-L86 HydrophobicContact CB-CD2 4.18Å; W54-L86 HydrophobicContact CD2-CB 3.79Å; W54-L86 HydrophobicContact CD2-CD2 4.03Å; W54-L86 HydrophobicContact CD2-CG 4.44Å; W54-L86 HydrophobicContact CE3-CB 4.34Å; W54-L86 HydrophobicContact CE3-CD2 4.14Å; W54-L86 HydrophobicContact CG-CB 4.07Å; W54-L86 HydrophobicContact CG-CD1 4.27Å; W54-L86 HydrophobicContact CG-CD2 4.08Å; W54-L86 HydrophobicContact CG-CG 4.39Å; W54-L86 HydrophobicContact CH2-CB 4.38Å; W54-L86 HydrophobicContact CZ2-CB 3.85Å; L61-L86 HydrophobicContact CD1-CD1 4.36Å; L61-L86 HydrophobicContact CD1-CD2 3.81Å; L67-L86 HydrophobicContact CD1-CD1 3.46Å; L67-L86 VanDerWaalsContact CD1-CD1 3.46Å; Y73-L86 HydrophobicContact CD1-CD1 4.09Å; Y73-L86 HydrophobicContact CD1-CD2 4.05Å; Y73-L86 HydrophobicContact CD1-CG 4.23Å; Y73-L86 HydrophobicContact CE1-CD2 4.2Å; L75-L86 HydrophobicContact CD2-CD1 3.74Å; L86-I88 HydrophobicContact CD2-CD1 4.48Å; L86-I88 HydrophobicContact CD2-CG1 4.42Å; L86-I88 HydrophobicContact CG-CG1 4.34Å; L86-Y99 HydrophobicContact CD2-CD1 3.85Å; L86-Y99 HydrophobicContact CD2-CE1 4.05Å
87L96Very high92.4Very high33 Ų3337 Ų3717%0.17322%0.219CC..EExtended strand (participates in β ladder)trans-88.2130.7166.6172.462.3000109.2Y73 S74 M76Y73-L87 WeakPolarHBondContact CA-O 3.46Å; S74-L87 PolarHBondContact N-O 2.95Å; S74-L87 PolarHBondContact O-N 2.85Å; M76-L87 HydrophobicContact CE-CD2 4.32Å; M76-L87 HydrophobicContact CG-CB 3.56Å; M76-L87 HydrophobicContact CG-CD2 3.86Å; M76-L87 HydrophobicContact CG-CG 4.36Å; M76-L87 HydrophobicContact SD-CD2 4.14Å
88I97.3Very high92.9Very high0 Ų038 Ų380%022%0.218CC..EExtended strand (participates in β ladder)trans-115.6111.3168.2-49.8179.8000106.3S38 V39 Y73 L86 Y99 L115S38-I88 CarbonylContact C-O 3.48Å; S38-I88 VanDerWaalsContact CA-O 3.24Å; S38-I88 WeakPolarHBondContact CA-O 3.49Å; V39-I88 HydrophobicContact CG1-CB 3.92Å; V39-I88 HydrophobicContact CG1-CD1 4.4Å; V39-I88 HydrophobicContact CG1-CG1 4.42Å; V39-I88 PolarHBondContact N-O 3.49Å; V39-I88 PolarHBondContact O-N 3.3Å; Y73-I88 HydrophobicContact CD1-CD1 4.15Å; Y73-I88 HydrophobicContact CD1-CG1 3.72Å; Y73-I88 HydrophobicContact CD2-CG2 4.49Å; Y73-I88 HydrophobicContact CE1-CB 4.44Å; Y73-I88 HydrophobicContact CE1-CD1 3.41Å; Y73-I88 VanDerWaalsContact CE1-CD1 3.41Å; Y73-I88 HydrophobicContact CE1-CG1 3.51Å; Y73-I88 HydrophobicContact CE1-CG2 4.23Å; Y73-I88 HydrophobicContact CE2-CG2 4.14Å; Y73-I88 HydrophobicContact CG-CG1 4.49Å; L86-I88 HydrophobicContact CD2-CD1 4.48Å; L86-I88 HydrophobicContact CD2-CG1 4.42Å; L86-I88 HydrophobicContact CG-CG1 4.34Å; I88-Y99 HydrophobicContact CD1-CE1 4.16Å; I88-Y99 HydrophobicContact CD1-CE2 4.49Å; I88-L115 HydrophobicContact CD1-CD2 3.75Å
89D94.8Very high93.3Very high85 Ų8534.6 Ų34.646%0.45520%0.2SC..SBendtrans-81140.8174.9-163.249.3000110.6S38 R72S38-D89 WeakPolarHBondContact CB-OD1 3.06Å; S38-D89 PolarHBondContact OG-OD1 2.84Å; R72-D89 WeakPolarHBondContact CB-O 3.49Å; R72-D89 WeakPolarHBondContact CD-O 3.4Å; R72-D89 PolarHBondContact NH1-O 3.19Å; R72-D89 PolarHBondContact O-N 2.79Å
90S95.9Very high93.9Very high47 Ų4733 Ų3333%0.32919%0.188SC..SBendtrans42.372-179.4173.50000113.7S38 R72 E92S38-S90 PolarHBondContact OG-N 2.95Å; R72-S90 PolarHBondContact NH1-O 3.23Å; S90-E92 PolarHBondContact O-N 3.11Å
91A96.2Very high94.4Very high0 Ų027.4 Ų27.40%016%0.159CC..  trans-56.4135.2-174.700000113.4V33 Q35 G36 Q37 V39 V117V33-A91 HydrophobicContact CG1-CB 3.71Å; V33-A91 HydrophobicContact CG2-CB 4.11Å; Q35-A91 CarbonylContact C-O 3.56Å; Q35-A91 WeakPolarHBondContact CA-O 3.5Å; Q35-A91 WeakPolarHBondContact CG-O 3.42Å; G36-A91 PolarHBondContact N-O 3.08Å; Q37-A91 VanDerWaalsContact O-CB 3.27Å; Q37-A91 WeakPolarHBondContact O-CB 3.42Å; Q37-A91 PolarHBondContact O-N 2.89Å; V39-A91 HydrophobicContact CG1-CB 4.49Å; A91-V117 HydrophobicContact CB-CG1 4.49Å; A91-V117 HydrophobicContact CB-CG2 4.43Å
92E95.3Very high94.9Very high82 Ų8225.9 Ų25.938%0.38315%0.146SC..  trans-111.4163.4179.7-71.9169-174.900112.2R72 S90 A94 D95 V117R72-E92 IonicContact CZ-OE1 2.95Å; R72-E92 IonicContact CZ-OE2 2.74Å; R72-E92 IonicContact NE-OE1 3.18Å; R72-E92 PolarHBondContact NE-OE1 2.86Å; R72-E92 IonicContact NE-OE2 2.66Å; R72-E92 PolarHBondContact NE-OE2 3.47Å; R72-E92 IonicContact NH2-OE1 2.69Å; R72-E92 IonicContact NH2-OE2 2.69Å; R72-E92 PolarHBondContact NH2-OE2 2.76Å; S90-E92 PolarHBondContact O-N 3.11Å; E92-A94 PolarHBondContact O-N 3.29Å; E92-D95 PolarHBondContact N-OD2 3.26Å; E92-D95 WeakPolarHBondContact O-CB 3.42Å; E92-D95 PolarHBondContact O-N 3.14Å; E92-V117 WeakPolarHBondContact O-CG2 3.29Å
93L93.6Very high95.1Very high28 Ų2825.9 Ų25.915%0.14715%0.146CC..THydrogen-bonded Turntrans-60.4-16173.9-172.258.9000113.8D95 V119 K150 K178 R179L93-D95 VanDerWaalsContact C-N 3.32Å; L93-V119 HydrophobicContact CD1-CG2 3.96Å; L93-K150 HydrophobicContact CD1-CD 3.87Å; L93-K178 HydrophobicContact CD1-CB 4.04Å; L93-K178 HydrophobicContact CD1-CD 4.1Å; L93-K178 HydrophobicContact CD2-CB 4.06Å; L93-K178 HydrophobicContact CD2-CD 4.44Å; L93-K178 HydrophobicContact CG-CB 4.19Å; L93-K178 HydrophobicContact CG-CD 3.88Å; L93-K178 PolarHBondContact O-NZ 3.11Å; L93-R179 HydrophobicContact CD2-CG 3.75Å
94A92.9Very high94.8Very high56 Ų5626.1 Ų26.146%0.46315%0.153SC..THydrogen-bonded Turntrans-76-14.4170.500000113.6K56 E92K56-A94 WeakPolarHBondContact CE-O 3.4Å; K56-A94 PolarHBondContact NZ-O 3.3Å; E92-A94 PolarHBondContact O-N 3.29Å
95D95.2Very high94.4Very high1 Ų132.3 Ų32.31%0.00518%0.181CC..  trans-96.2-8.1-175-53.2-23.2000113.2K56 R72 Y73 E92 L93 A97 Y99 L115 V117K56-D95 IonicContact NZ-OD1 2.75Å; K56-D95 PolarHBondContact NZ-OD1 3.15Å; R72-D95 IonicContact CZ-OD2 2.9Å; R72-D95 IonicContact NH1-OD2 3.19Å; R72-D95 PolarHBondContact NH1-OD2 2.85Å; R72-D95 VanDerWaalsContact NH2-CG 3.3Å; R72-D95 IonicContact NH2-OD1 3.66Å; R72-D95 PolarHBondContact NH2-OD1 3.34Å; R72-D95 IonicContact NH2-OD2 2.73Å; R72-D95 PolarHBondContact NH2-OD2 2.88Å; Y73-D95 VanDerWaalsContact OH-CG 3.23Å; Y73-D95 PolarHBondContact OH-OD1 3.26Å; E92-D95 PolarHBondContact N-OD2 3.26Å; E92-D95 WeakPolarHBondContact O-CB 3.42Å; E92-D95 PolarHBondContact O-N 3.14Å; L93-D95 VanDerWaalsContact C-N 3.32Å; D95-A97 VanDerWaalsContact C-N 3.25Å; D95-A97 WeakPolarHBondContact O-CB 3.37Å; D95-A97 PolarHBondContact O-N 2.75Å; D95-Y99 WeakPolarHBondContact O-CE2 3.04Å; D95-Y99 PolarHBondContact O-OH 3.15Å; D95-L115 HydrophobicContact CB-CD2 4.37Å; D95-V117 HydrophobicContact CB-CG2 4.3Å
96D95.2Very high94Very high17 Ų1733.2 Ų33.29%0.09119%0.19CC..  trans-64.581.1171.3-167.9-80.5000110.6K114 L115 T116 V117 K150D96-K114 PolarHBondContact O-NZ 3.22Å; D96-K114 WeakPolarHBondContact OD1-CE 3.45Å; D96-K114 IonicContact OD1-NZ 2.91Å; D96-K114 PolarHBondContact OD1-NZ 3.35Å; D96-L115 CarbonylContact C-O 3.25Å; D96-L115 WeakPolarHBondContact CA-O 3.38Å; D96-T116 WeakPolarHBondContact OD2-CA 3.43Å; D96-V117 HydrophobicContact CB-CB 4.19Å; D96-V117 HydrophobicContact CB-CG2 4.08Å; D96-V117 PolarHBondContact OD2-N 2.92Å; D96-K150 IonicContact OD1-NZ 3.98Å; D96-K150 PolarHBondContact OD1-NZ 3.22Å; D96-K150 IonicContact OD2-NZ 2.73Å; D96-K150 PolarHBondContact OD2-NZ 2.87Å
97A96.1Very high93.6Very high0 Ų037.4 Ų37.40%023%0.225CC..SBendtrans-147167.1-165.100000111.2K56 D57 D95 Y99 L115K56-A97 HydrophobicContact CD-CB 4.4Å; K56-A97 HydrophobicContact CG-CB 3.61Å; D57-A97 WeakPolarHBondContact OD1-CA 3.07Å; D57-A97 WeakPolarHBondContact OD2-CB 3.49Å; D95-A97 VanDerWaalsContact C-N 3.25Å; D95-A97 WeakPolarHBondContact O-CB 3.37Å; D95-A97 PolarHBondContact O-N 2.75Å; A97-Y99 HydrophobicContact CB-CD2 4.46Å; A97-Y99 HydrophobicContact CB-CE2 3.75Å; A97-Y99 WeakPolarHBondContact O-CD2 3.38Å; A97-Y99 WeakPolarHBondContact O-CE2 3.27Å; A97-L115 PolarHBondContact N-O 2.83Å; A97-L115 PolarHBondContact O-N 2.88Å
98V97.8Very high93.4Very high49 Ų4937.8 Ų37.830%0.29723%0.227SC..EExtended strand (participates in β ladder)trans-94.1123.6173.3-179.70000109.6D57 R112 A113 K114D57-V98 PolarHBondContact N-O 3.27Å; D57-V98 PolarHBondContact OD1-N 3.37Å; V98-R112 HydrophobicContact CG1-CB 3.72Å; V98-R112 HydrophobicContact CG1-CG 4.38Å; V98-A113 CarbonylContact C-O 3.56Å; V98-A113 WeakPolarHBondContact CA-O 3.43Å; V98-K114 HydrophobicContact CG2-CD 4.04Å
99Y97.1Very high93.3Very high0 Ų045.5 Ų45.50%026%0.256CS..EExtended strand (participates in β ladder)trans-109.7142.8-177.6-64.5-94.1000112.1L41 T55 K56 L61 Y73 L86 I88 D95 A97 R112 A113 L115L41-Y99 HydrophobicContact CD1-CD1 4.1Å; L41-Y99 HydrophobicContact CD1-CD2 3.67Å; L41-Y99 HydrophobicContact CD1-CE2 4.36Å; L41-Y99 HydrophobicContact CD1-CG 3.52Å; T55-Y99 VanDerWaalsContact O-CA 3.25Å; T55-Y99 WeakPolarHBondContact O-CA 3.37Å; T55-Y99 WeakPolarHBondContact O-CD1 3.47Å; K56-Y99 HydrophobicContact CB-CD1 4.08Å; K56-Y99 HydrophobicContact CB-CE1 3.68Å; K56-Y99 HydrophobicContact CD-CE1 3.98Å; K56-Y99 WeakPolarHBondContact CE-OH 3.45Å; K56-Y99 HydrophobicContact CG-CD1 4.41Å; K56-Y99 HydrophobicContact CG-CE1 3.65Å; L61-Y99 HydrophobicContact CD1-CE1 4.35Å; Y73-Y99 AromaticContact CE1-CE1 3.95Å; Y73-Y99 HydrophobicContact CE1-CE1 3.95Å; Y73-Y99 PolarHBondContact OH-OH 2.99Å; L86-Y99 HydrophobicContact CD2-CD1 3.85Å; L86-Y99 HydrophobicContact CD2-CE1 4.05Å; I88-Y99 HydrophobicContact CD1-CE1 4.16Å; I88-Y99 HydrophobicContact CD1-CE2 4.49Å; D95-Y99 WeakPolarHBondContact O-CE2 3.04Å; D95-Y99 PolarHBondContact O-OH 3.15Å; A97-Y99 HydrophobicContact CB-CD2 4.46Å; A97-Y99 HydrophobicContact CB-CE2 3.75Å; A97-Y99 WeakPolarHBondContact O-CD2 3.38Å; A97-Y99 WeakPolarHBondContact O-CE2 3.27Å; Y99-R112 WeakPolarHBondContact O-CA 3.39Å; Y99-A113 PolarHBondContact N-O 3.3Å; Y99-A113 PolarHBondContact O-N 3.18Å; Y99-L115 HydrophobicContact CD2-CB 3.96Å; Y99-L115 HydrophobicContact CE2-CB 3.64Å; Y99-L115 HydrophobicContact CE2-CD2 4Å; Y99-L115 HydrophobicContact CE2-CG 4.48Å
100E96.5Very high93.3Very high20 Ų2041.9 Ų41.99%0.09324%0.237CC..EExtended strand (participates in β ladder)trans-140.4128.1177-164.1-171-91.100110.1T55 Q102 R109 R112T55-E100 PolarHBondContact N-O 3.11Å; T55-E100 PolarHBondContact O-N 2.9Å; T55-E100 WeakPolarHBondContact OG1-CB 3.4Å; T55-E100 PolarHBondContact OG1-O 3.29Å; T55-E100 VanDerWaalsContact OG1-O 3.13Å; E100-Q102 HydrophobicContact CG-CG 4.44Å; E100-Q102 PolarHBondContact OE2-NE2 2.9Å; E100-R109 IonicContact OE1-NH2 3.18Å; E100-R109 IonicContact OE2-CZ 3.94Å; E100-R109 IonicContact OE2-NE 3.78Å; E100-R109 PolarHBondContact OE2-NE 2.96Å; E100-R109 IonicContact OE2-NH2 3.98Å; E100-R109 PolarHBondContact OE2-NH2 2.71Å; E100-R112 HydrophobicContact CB-CG 4.16Å; E100-R112 HydrophobicContact CG-CG 3.98Å; E100-R112 WeakPolarHBondContact OE1-CD 3.3Å; E100-R112 WeakPolarHBondContact OE1-CG 3.44Å
101C94.8Very high93.2Very high0 Ų045.9 Ų45.90%025%0.251CS..EExtended strand (participates in β ladder)trans-90.4127.6177.7-174.10000109.9C43 V52 W54 R109 S110C43-C101 HydrophobicContact CB-CB 3.77Å; C43-C101 WeakPolarHBondContact CB-SG 3.35Å; C43-C101 WeakPolarHBondContact SG-CB 3.41Å; C43-C101 CovalentContact SG-SG 2.04Å; C43-C101 PolarHBondContact SG-SG 3Å; V52-C101 WeakPolarHBondContact CG1-SG 3.44Å; W54-C101 HydrophobicContact CD2-CB 4.04Å; W54-C101 HydrophobicContact CE3-CB 4.1Å; W54-C101 HydrophobicContact CH2-CB 3.96Å; W54-C101 HydrophobicContact CZ2-CB 3.87Å; W54-C101 HydrophobicContact CZ3-CB 4.05Å; C101-R109 CarbonylContact O-C 3.55Å; C101-R109 WeakPolarHBondContact O-CA 3.2Å; C101-S110 PolarHBondContact N-OG 2.64Å; C101-S110 PolarHBondContact O-N 2.8Å
102Q94.3Very high93.2Very high21 Ų2154.6 Ų54.610%0.09828%0.284CS..EExtended strand (participates in β ladder)trans-131.1119.1-168.8-63.4171.1500111.9Q53 T55 E100 R109Q53-Q102 PolarHBondContact N-O 2.98Å; Q53-Q102 PolarHBondContact O-N 2.62Å; T55-Q102 PolarHBondContact OG1-NE2 2.89Å; E100-Q102 HydrophobicContact CG-CG 4.44Å; E100-Q102 PolarHBondContact OE2-NE2 2.9Å; Q102-R109 HydrophobicContact CG-CG 4.34Å
103A92.4Very high93.3Very high0 Ų050.8 Ų50.80%027%0.266CS..EExtended strand (participates in β ladder)trans-101.883.2168.600000108.8I45 Y48 V52 Q105 A106 A107 L108I45-A103 HydrophobicContact CD1-CB 3.71Å; Y48-A103 HydrophobicContact CD1-CB 4.01Å; Y48-A103 HydrophobicContact CE1-CB 3.57Å; Y48-A103 HydrophobicContact CE2-CB 4.22Å; Y48-A103 HydrophobicContact CG-CB 4.47Å; V52-A103 HydrophobicContact CG2-CB 4.22Å; A103-Q105 VanDerWaalsContact C-N 3.32Å; A103-Q105 PolarHBondContact O-N 3.42Å; A103-A106 HydrophobicContact CB-CB 4.37Å; A103-A106 CarbonylContact O-C 3.52Å; A103-A106 PolarHBondContact O-N 2.86Å; A103-A107 PolarHBondContact O-N 3.33Å; A103-A107 VanDerWaalsContact O-N 3.15Å; A103-L108 HydrophobicContact CB-CB 4.24Å; A103-L108 PolarHBondContact N-O 3.11Å; A103-L108 PolarHBondContact O-N 2.85Å
104T84.5Confident93.5Very high81 Ų8152.2 Ų52.250%0.49727%0.271SS..G310 helixtrans-57.3-40.5-169.453.40000113.2A106 A107T104-A106 PolarHBondContact O-N 2.7Å; T104-A107 PolarHBondContact O-N 3.17Å; T104-A107 VanDerWaalsContact O-N 3.12Å
105Q86.3Confident93.7Very high140 Ų14049.6 Ų49.665%0.65425%0.249SC*.G310 helixtrans-68.2-21.3179.4-60.5177.1-14.700113.4Y48 A103Y48-Q105 HydrophobicContact CE2-CB 4.36Å; A103-Q105 VanDerWaalsContact C-N 3.32Å; A103-Q105 PolarHBondContact O-N 3.42Å
106A85.6Confident93.8Very high37 Ų3751.6 Ų51.631%0.30626%0.261SS..G310 helixtrans-101.12174.500000113.3Y48 A103 T104 L108Y48-A106 HydrophobicContact CD2-CB 3.75Å; Y48-A106 HydrophobicContact CE2-CB 3.65Å; A103-A106 HydrophobicContact CB-CB 4.37Å; A103-A106 CarbonylContact O-C 3.52Å; A103-A106 PolarHBondContact O-N 2.86Å; T104-A106 PolarHBondContact O-N 2.7Å; A106-L108 HydrophobicContact CB-CD1 4.01Å; A106-L108 HydrophobicContact CB-CG 4.01Å; A106-L108 PolarHBondContact O-N 2.88Å; A106-L108 VanDerWaalsContact O-N 3.14Å
107A87.9Confident93.9Very high89 Ų8950.8 Ų50.874%0.73626%0.257SS*.THydrogen-bonded Turntrans54.421.7-171.100000115A103 T104A103-A107 PolarHBondContact O-N 3.33Å; A103-A107 VanDerWaalsContact O-N 3.15Å; T104-A107 PolarHBondContact O-N 3.17Å; T104-A107 VanDerWaalsContact O-N 3.12Å
108L92.1Very high93.9Very high41 Ų4151.7 Ų51.722%0.21526%0.262CS..EExtended strand (participates in β ladder)trans-91.4137.7179.8-64.4172.9000111.4A22 F24 I45 A103 A106A22-L108 HydrophobicContact CB-CD1 3.71Å; A22-L108 WeakPolarHBondContact O-CD1 3.4Å; F24-L108 HydrophobicContact CE2-CB 3.88Å; F24-L108 HydrophobicContact CZ-CB 4.03Å; I45-L108 HydrophobicContact CG2-CD1 3.85Å; A103-L108 HydrophobicContact CB-CB 4.24Å; A103-L108 PolarHBondContact N-O 3.11Å; A103-L108 PolarHBondContact O-N 2.85Å; A106-L108 HydrophobicContact CB-CD1 4.01Å; A106-L108 HydrophobicContact CB-CG 4.01Å; A106-L108 PolarHBondContact O-N 2.88Å; A106-L108 VanDerWaalsContact O-N 3.14Å
109R94.4Very high93.9Very high161 Ų16149.7 Ų49.761%0.60825%0.25SC*.EExtended strand (participates in β ladder)trans-136.2136.2175.2-51.5177.974137.4-0.2108F24 E100 C101 Q102F24-R109 VanDerWaalsContact CE2-C 3.47Å; F24-R109 WeakPolarHBondContact CE2-O 3.43Å; F24-R109 VanDerWaalsContact CZ-C 3.46Å; E100-R109 IonicContact OE1-NH2 3.18Å; E100-R109 IonicContact OE2-CZ 3.94Å; E100-R109 IonicContact OE2-NE 3.78Å; E100-R109 PolarHBondContact OE2-NE 2.96Å; E100-R109 IonicContact OE2-NH2 3.98Å; E100-R109 PolarHBondContact OE2-NH2 2.71Å; C101-R109 CarbonylContact O-C 3.55Å; C101-R109 WeakPolarHBondContact O-CA 3.2Å; Q102-R109 HydrophobicContact CG-CG 4.34Å
110S95.2Very high93.8Very high9 Ų951.7 Ų51.76%0.06326%0.263CS..PPolyproline II helixtrans-73.9173.1177.570.30000111.7F24 Q27 C101F24-S110 VanDerWaalsContact CZ-N 3.34Å; Q27-S110 VanDerWaalsContact OE1-CA 3.3Å; C101-S110 PolarHBondContact N-OG 2.64Å; C101-S110 PolarHBondContact O-N 2.8Å
111H94.4Very high93.7Very high132 Ų13251 Ų5161%0.61126%0.26SS*.PPolyproline II helixtrans-52.5146.4154.4-67-64.1000110.3Q27Q27-H111 PolarHBondContact OE1-CD2 2.88Å
112R95.9Very high93.7Very high183 Ų18353.1 Ų53.169%0.69128%0.275SS*.PPolyproline II helixtrans-82124.3171.7-66.9-169.8-59.9-144.51.4108.6V98 Y99 E100V98-R112 HydrophobicContact CG1-CB 3.72Å; V98-R112 HydrophobicContact CG1-CG 4.38Å; Y99-R112 WeakPolarHBondContact O-CA 3.39Å; E100-R112 HydrophobicContact CB-CG 4.16Å; E100-R112 HydrophobicContact CG-CG 3.98Å; E100-R112 WeakPolarHBondContact OE1-CD 3.3Å; E100-R112 WeakPolarHBondContact OE1-CG 3.44Å
113A97.2Very high93.8Very high1 Ų157 Ų571%0.00830%0.296CS..EExtended strand (participates in β ladder)trans-113.8128.4-176.700000110.8P28 D30 V98 Y99P28-A113 HydrophobicContact CB-CB 3.64Å; P28-A113 HydrophobicContact CG-CB 4.01Å; D30-A113 WeakPolarHBondContact OD1-CA 3.29Å; V98-A113 CarbonylContact C-O 3.56Å; V98-A113 WeakPolarHBondContact CA-O 3.43Å; Y99-A113 PolarHBondContact N-O 3.3Å; Y99-A113 PolarHBondContact O-N 3.18Å
114K97.3Very high94Very high59 Ų5957.3 Ų57.326%0.25730%0.298SS..EExtended strand (participates in β ladder)trans-84.4116.7175177.458.7-175.5168.30110.1D30 Q31 D96 V98D30-K114 VanDerWaalsContact CA-O 3.3Å; D30-K114 WeakPolarHBondContact CA-O 3.49Å; D30-K114 PolarHBondContact OD1-N 3.3Å; Q31-K114 PolarHBondContact N-O 3.02Å; D96-K114 PolarHBondContact O-NZ 3.22Å; D96-K114 WeakPolarHBondContact OD1-CE 3.45Å; D96-K114 IonicContact OD1-NZ 2.91Å; D96-K114 PolarHBondContact OD1-NZ 3.35Å; V98-K114 HydrophobicContact CG2-CD 4.04Å
115L97.5Very high94.6Very high0 Ų057.8 Ų57.80%030%0.301CS..EExtended strand (participates in β ladder)trans-83128.2161-173.260.6000108.8Q31 V33 V39 I88 D95 D96 A97 Y99 V117Q31-L115 HydrophobicContact CB-CD1 4.01Å; V33-L115 HydrophobicContact CB-CD1 4.45Å; V33-L115 HydrophobicContact CG1-CD1 3.82Å; V33-L115 HydrophobicContact CG1-CG 4.29Å; V39-L115 HydrophobicContact CG1-CD1 4.19Å; V39-L115 HydrophobicContact CG1-CD2 4Å; V39-L115 HydrophobicContact CG2-CD1 4.07Å; I88-L115 HydrophobicContact CD1-CD2 3.75Å; D95-L115 HydrophobicContact CB-CD2 4.37Å; D96-L115 CarbonylContact C-O 3.25Å; D96-L115 WeakPolarHBondContact CA-O 3.38Å; A97-L115 PolarHBondContact N-O 2.83Å; A97-L115 PolarHBondContact O-N 2.88Å; Y99-L115 HydrophobicContact CD2-CB 3.96Å; Y99-L115 HydrophobicContact CE2-CB 3.64Å; Y99-L115 HydrophobicContact CE2-CD2 4Å; Y99-L115 HydrophobicContact CE2-CG 4.48Å; L115-V117 HydrophobicContact CD2-CG2 4.44Å; L115-V117 HydrophobicContact CG-CG2 4.31Å
116T96.9Very high95.1Very high43 Ų4351.5 Ų51.526%0.26427%0.272SS..EExtended strand (participates in β ladder)trans-112.1122.3172.5-55.20000109.1Q31 V32 V33 D96 L118Q31-T116 PolarHBondContact O-N 2.83Å; V32-T116 WeakPolarHBondContact CA-O 3.34Å; V33-T116 PolarHBondContact N-O 3.44Å; D96-T116 WeakPolarHBondContact OD2-CA 3.43Å; T116-L118 HydrophobicContact CG2-CD2 4.41Å
117V97.4Very high95.5Very high0 Ų053.8 Ų53.80%028%0.276CS..EExtended strand (participates in β ladder)trans-103.1112.4179.9-175.20000108.8V33 Q35 A91 E92 D95 D96 L115V33-V117 HydrophobicContact CG1-CB 4.39Å; V33-V117 HydrophobicContact CG1-CG1 4.43Å; V33-V117 HydrophobicContact CG1-CG2 3.84Å; V33-V117 CarbonylContact O-C 3.54Å; V33-V117 WeakPolarHBondContact O-CA 3.27Å; Q35-V117 HydrophobicContact CB-CG1 4.17Å; A91-V117 HydrophobicContact CB-CG1 4.49Å; A91-V117 HydrophobicContact CB-CG2 4.43Å; E92-V117 WeakPolarHBondContact O-CG2 3.29Å; D95-V117 HydrophobicContact CB-CG2 4.3Å; D96-V117 HydrophobicContact CB-CB 4.19Å; D96-V117 HydrophobicContact CB-CG2 4.08Å; D96-V117 PolarHBondContact OD2-N 2.92Å; L115-V117 HydrophobicContact CD2-CG2 4.44Å; L115-V117 HydrophobicContact CG-CG2 4.31Å
118L97.3Very high95.7Very high20 Ų2052.1 Ų52.111%0.10527%0.268CS..EExtended strand (participates in β ladder)trans-80.6140.6178.6-53.3173.9000110.4V32 V33 V34 Q35 T116 K150 P206 A207V32-L118 HydrophobicContact CG1-CD1 3.42Å; V32-L118 VanDerWaalsContact CG1-CD1 3.42Å; V32-L118 HydrophobicContact CG1-CD2 3.8Å; V32-L118 HydrophobicContact CG1-CG 3.47Å; V32-L118 VanDerWaalsContact CG1-CG 3.47Å; V33-L118 PolarHBondContact O-N 3.41Å; V34-L118 HydrophobicContact CG2-CD1 4.36Å; Q35-L118 PolarHBondContact N-O 2.91Å; T116-L118 HydrophobicContact CG2-CD2 4.41Å; L118-K150 VanDerWaalsContact CA-O 3.28Å; L118-K150 WeakPolarHBondContact CA-O 3.25Å; L118-P206 HydrophobicContact CD1-CB 3.82Å; L118-A207 HydrophobicContact CB-CB 3.83Å
119V96.1Very high95.6Very high7 Ų752 Ų524%0.04228%0.277CS..BIsolated β-bridgetrans-122126.6179-1750000108.9L93 G148 A149 K150L93-V119 HydrophobicContact CD1-CG2 3.96Å; V119-G148 WeakPolarHBondContact CG1-O 3.28Å; V119-A149 CarbonylContact O-C 3.54Å; V119-A149 WeakPolarHBondContact O-CA 3.4Å; V119-K150 HydrophobicContact CB-CB 3.95Å; V119-K150 HydrophobicContact CG2-CB 4.01Å; V119-K150 PolarHBondContact N-O 2.81Å; V119-K150 PolarHBondContact O-N 2.98Å
120P95.4Very high95.5Very high42 Ų4249.2 Ų49.227%0.27328%0.279SS..PPolyproline II helixtrans-70.9149.9179.130-34.9000111.5A207 A208P120-A207 HydrophobicContact CB-CB 3.94Å; P120-A208 HydrophobicContact CB-CB 4.14Å
121P95.7Very high95.6Very high4 Ų451.6 Ų51.63%0.02629%0.293CS..PPolyproline II helixtrans-64.8158.4174.428.3-35.6000111.9A146 A149 A153 V203 N205 R212P121-A146 HydrophobicContact CB-CB 4.25Å; P121-A149 HydrophobicContact CB-CB 4Å; P121-A153 HydrophobicContact CB-CB 3.98Å; P121-A153 HydrophobicContact CG-CB 4Å; P121-V203 HydrophobicContact CB-CG1 4.44Å; P121-V203 HydrophobicContact CG-CG1 4.14Å; P121-N205 HydrophobicContact CG-CB 4.09Å; P121-R212 PolarHBondContact O-NH2 3.38Å
122S94.4Very high95.6Very high45 Ų4545.8 Ų45.832%0.31527%0.267SS..PPolyproline II helixtrans-54.6163.8156.773.80000111.1S147S122-S147 PolarHBondContact N-O 2.78Å; S122-S147 PolarHBondContact OG-N 2.89Å
123D95.7Very high95.6Very high102 Ų10245.3 Ų45.355%0.54527%0.265SS..PPolyproline II helixtrans-58138.6165.1-63.2-68.9000110.5R212D123-R212 WeakPolarHBondContact OD1-CD 3.36Å; D123-R212 IonicContact OD1-CZ 2.81Å; D123-R212 IonicContact OD1-NE 3.03Å; D123-R212 IonicContact OD1-NH1 2.74Å; D123-R212 PolarHBondContact OD1-NH1 2.87Å; D123-R212 IonicContact OD2-NH1 3.2Å; D123-R212 PolarHBondContact OD2-NH1 3.02Å
124P96.7Very high95.5Very high8 Ų845.8 Ų45.85%0.05227%0.268CS..PPolyproline II helixtrans-70.8137.418026.6-31.8000110.7R145 V203 R212 T214P124-R145 WeakPolarHBondContact CA-O 3.31Å; P124-V203 HydrophobicContact CB-CG2 3.65Å; P124-V203 HydrophobicContact CG-CG2 4.14Å; P124-R212 HydrophobicContact CG-CB 4.25Å; P124-T214 HydrophobicContact CB-CG2 3.96Å; P124-T214 HydrophobicContact CG-CG2 4.05Å; P124-T214 WeakPolarHBondContact O-CB 3.46Å; P124-T214 VanDerWaalsContact O-CG2 3.23Å; P124-T214 WeakPolarHBondContact O-CG2 3.31Å
125V96.8Very high95.3Very high90 Ų9048.1 Ų48.155%0.54528%0.278SS..EExtended strand (participates in β ladder)trans-120.1129176.5-178.60000108.8C144 R145V125-C144 WeakPolarHBondContact O-CA 3.31Å; V125-R145 PolarHBondContact N-O 3.16Å; V125-R145 PolarHBondContact O-N 3.26Å
126V97.1Very high95.1Very high9 Ų949 Ų496%0.05529%0.286CS..EExtended strand (participates in β ladder)trans-99128169.11730000109.2G128 G129 T143 C144 W157 C201 T214 V216V126-G128 PolarHBondContact O-N 2.84Å; V126-G129 PolarHBondContact O-N 2.03Å; V126-T143 VanDerWaalsContact CA-O 3.32Å; V126-T143 WeakPolarHBondContact CA-O 3.25Å; V126-C144 HydrophobicContact CG2-CB 3.88Å; V126-W157 HydrophobicContact CB-CH2 4.45Å; V126-W157 HydrophobicContact CG1-CH2 3.9Å; V126-W157 HydrophobicContact CG2-CH2 3.63Å; V126-W157 HydrophobicContact CG2-CZ2 4.5Å; V126-W157 HydrophobicContact CG2-CZ3 4.06Å; V126-C201 HydrophobicContact CG2-CB 3.75Å; V126-T214 HydrophobicContact CB-CG2 4.44Å; V126-T214 HydrophobicContact CG2-CG2 3.71Å; V126-V216 HydrophobicContact CB-CG1 3.73Å; V126-V216 HydrophobicContact CG1-CB 4.41Å; V126-V216 HydrophobicContact CG1-CG1 3.67Å; V126-V216 HydrophobicContact CG1-CG2 3.82Å
127E95.2Very high94.8Very high84 Ų8453.2 Ų53.239%0.39330%0.302SS..THydrogen-bonded Turntrans-66.7129.1-177.3-66.8172.9-176.300110.1T143 R145E127-T143 HydrophobicContact CG-CG2 4.39Å; E127-T143 PolarHBondContact N-O 2.99Å; E127-T143 WeakPolarHBondContact OE2-CB 3.37Å; E127-T143 WeakPolarHBondContact OE2-CG2 3.37Å; E127-T143 PolarHBondContact OE2-OG1 2.72Å; E127-R145 IonicContact OE1-CZ 3.15Å; E127-R145 IonicContact OE1-NE 2.83Å; E127-R145 PolarHBondContact OE1-NE 2.83Å; E127-R145 VanDerWaalsContact OE1-NE 3.16Å; E127-R145 IonicContact OE1-NH2 3.84Å; E127-R145 PolarHBondContact OE1-NH2 2.85Å
128G90.4Very high94.7Very high55 Ų5556.7 Ų56.757%0.56732%0.323SS*.THydrogen-bonded Turntrans83.91.3-174.900000116.1V126 V131V126-G128 PolarHBondContact O-N 2.84Å; G128-V131 CarbonylContact O-C 3.53Å
129G91.1Very high94.6Very high38 Ų3860.2 Ų60.239%0.39235%0.347SS..  trans-65.3162.1174.400000114.2V126V126-G129 PolarHBondContact O-N 2.03Å
130P92.4Very high94.6Very high102 Ų10263 Ų6366%0.66236%0.359SS*.SBendcis-82.4-15.63.732.4-35.9000114.6V216 T217P130-V216 WeakPolarHBondContact O-CA 3.32Å; P130-T217 PolarHBondContact O-N 3.47Å
131V95.8Very high94.6Very high59 Ų5965 Ų6536%0.35837%0.368SS..EExtended strand (participates in β ladder)trans-126.5105-179.4-178.10000110.3G128 T217G128-V131 CarbonylContact O-C 3.53Å; V131-T217 CarbonylContact C-O 3.55Å; V131-T217 WeakPolarHBondContact CA-O 3.25Å
132V95.9Very high94.7Very high10 Ų1064.8 Ų64.86%0.06137%0.367CS..EExtended strand (participates in β ladder)trans-83.3118.2-179-170.40000108.9L134 L142 V216 T217 I218 S219V132-L134 HydrophobicContact CG1-CD1 4.49Å; V132-L134 HydrophobicContact CG1-CD2 3.69Å; V132-L134 HydrophobicContact CG1-CG 3.98Å; V132-L142 HydrophobicContact CB-CD2 4.46Å; V132-L142 HydrophobicContact CG1-CD2 4.17Å; V132-L142 HydrophobicContact CG2-CD2 4.15Å; V132-V216 HydrophobicContact CG2-CB 4.09Å; V132-V216 HydrophobicContact CG2-CG1 4.48Å; V132-V216 HydrophobicContact CG2-CG2 3.98Å; V132-T217 PolarHBondContact N-O 3.18Å; V132-I218 HydrophobicContact CB-CD1 3.97Å; V132-I218 HydrophobicContact CG2-CD1 4.34Å; V132-S219 PolarHBondContact O-N 3.08Å
133R95.1Very high94.8Very high173 Ų17363.3 Ų63.365%0.65336%0.356SS*.EExtended strand (participates in β ladder)trans-92.5114.2177.9-69.3177.3177.983.5-5.2110S219R133-S219 WeakPolarHBondContact CA-O 3.42Å
134L95.5Very high94.9Very high12 Ų1258.5 Ų58.56%0.06333%0.33CS..EExtended strand (participates in β ladder)trans-119.2159.4-178.1-57.8-177.9000110.4V132 H140 I188 P190 I218 S219 Q221V132-L134 HydrophobicContact CG1-CD1 4.49Å; V132-L134 HydrophobicContact CG1-CD2 3.69Å; V132-L134 HydrophobicContact CG1-CG 3.98Å; L134-H140 HydrophobicContact CD1-CB 4.14Å; L134-H140 HydrophobicContact CD2-CB 4.03Å; L134-H140 VanDerWaalsContact CD2-CD2 3.49Å; L134-H140 WeakPolarHBondContact CD2-CD2 3.11Å; L134-H140 VanDerWaalsContact CD2-CG 3.44Å; L134-I188 HydrophobicContact CD1-CD1 3.7Å; L134-P190 HydrophobicContact CB-CB 4.43Å; L134-P190 HydrophobicContact CB-CG 3.98Å; L134-P190 HydrophobicContact CD1-CB 4.19Å; L134-P190 HydrophobicContact CD1-CG 4.06Å; L134-I218 HydrophobicContact CD1-CD1 4.5Å; L134-I218 HydrophobicContact CD1-CG2 3.83Å; L134-I218 HydrophobicContact CG-CG2 4.19Å; L134-S219 PolarHBondContact N-O 2.94Å; L134-Q221 VanDerWaalsContact O-CB 3.32Å; L134-Q221 WeakPolarHBondContact O-CB 3.35Å; L134-Q221 PolarHBondContact O-N 2.97Å
135K93.4Very high94.9Very high108 Ų10863.2 Ų63.247%0.4735%0.347SS..EExtended strand (participates in β ladder)trans-94.9138.8169.4-69.8-168.8175.6-166.80109.9T138 P190K135-T138 VanDerWaalsContact O-CB 3.31Å; K135-T138 WeakPolarHBondContact O-CB 3.29Å; K135-T138 PolarHBondContact O-N 2.86Å; K135-T138 PolarHBondContact O-OG1 2.87Å; K135-P190 WeakPolarHBondContact O-CG 3.32Å
136A92.3Very high95Very high19 Ų1959 Ų5916%0.15732%0.321CS..THydrogen-bonded Turntrans-52144.3176.600000111.7T138 P190 D192 V220 Q221A136-T138 PolarHBondContact O-N 2.91Å; A136-T138 PolarHBondContact O-OG1 2.89Å; A136-P190 CarbonylContact C-O 3.47Å; A136-P190 WeakPolarHBondContact CA-O 3.48Å; A136-D192 VanDerWaalsContact CB-OD1 3.25Å; A136-D192 WeakPolarHBondContact CB-OD1 3.36Å; A136-V220 HydrophobicContact CB-CG1 3.77Å; A136-Q221 PolarHBondContact N-O 3.24Å
137H91.5Very high94.9Very high131 Ų13160.7 Ų60.761%0.60633%0.334SS*.THydrogen-bonded Turntrans58.411.1177.8-47.889.4000115.3P190H137-P190 PolarHBondContact N-O 2.85Å
138T94.6Very high94.8Very high72 Ų7257.2 Ų57.244%0.44232%0.32SS..  trans-103.1112.1-178.2-54.80000110.2K135 A136 H140 P190K135-T138 VanDerWaalsContact O-CB 3.31Å; K135-T138 WeakPolarHBondContact O-CB 3.29Å; K135-T138 PolarHBondContact O-N 2.86Å; K135-T138 PolarHBondContact O-OG1 2.87Å; A136-T138 PolarHBondContact O-N 2.91Å; A136-T138 PolarHBondContact O-OG1 2.89Å; T138-H140 PolarHBondContact O-N 2.86Å; T138-P190 WeakPolarHBondContact O-CD 3.19Å
139P95.9Very high95.1Very high95 Ų9554.6 Ų54.662%0.61729%0.293SS*.  trans-55.9136.7-178-25.934.2000113.2I188 I189P139-I188 WeakPolarHBondContact CA-O 3.41Å; P139-I189 HydrophobicContact CB-CG1 4.3Å; P139-I189 HydrophobicContact CG-CD1 4.42Å; P139-I189 HydrophobicContact CG-CG1 4.19Å
140H95.5Very high95.3Very high64 Ų6454.5 Ų54.530%0.29628%0.282SS..EExtended strand (participates in β ladder)trans-143.9150.1-177.4-174.675.6000111.3L134 T138 I188L134-H140 HydrophobicContact CD1-CB 4.14Å; L134-H140 HydrophobicContact CD2-CB 4.03Å; L134-H140 VanDerWaalsContact CD2-CD2 3.49Å; L134-H140 WeakPolarHBondContact CD2-CD2 3.11Å; L134-H140 VanDerWaalsContact CD2-CG 3.44Å; T138-H140 PolarHBondContact O-N 2.86Å; H140-I188 HydrophobicContact CB-CG1 4.31Å; H140-I188 PolarHBondContact N-O 3.37Å; H140-I188 WeakPolarHBondContact O-CG1 3.12Å; H140-I188 PolarHBondContact O-N 2.96Å; H140-I188 VanDerWaalsContact O-O 3.14Å
141N96.1Very high95.4Very high85 Ų8552.3 Ų52.346%0.45527%0.268SS..EExtended strand (participates in β ladder)trans-113.4112.7176.6-66.9-8.6000109.3T143 L186N141-T143 PolarHBondContact O-N 3.42Å; N141-L186 WeakPolarHBondContact CA-O 3.45Å
142L96.9Very high95.4Very high0 Ų050.1 Ų50.10%026%0.256CS..EExtended strand (participates in β ladder)trans-75.3116.7171-63.1174.8000108.8V132 W157 M185 L186 I188 Y199 I218V132-L142 HydrophobicContact CB-CD2 4.46Å; V132-L142 HydrophobicContact CG1-CD2 4.17Å; V132-L142 HydrophobicContact CG2-CD2 4.15Å; L142-W157 HydrophobicContact CB-CH2 3.64Å; L142-W157 HydrophobicContact CB-CZ2 3.99Å; L142-W157 HydrophobicContact CB-CZ3 4.26Å; L142-W157 HydrophobicContact CD1-CZ3 4.38Å; L142-W157 WeakPolarHBondContact O-CZ2 3.2Å; L142-M185 CarbonylContact O-C 3.59Å; L142-M185 WeakPolarHBondContact O-CA 3.3Å; L142-L186 HydrophobicContact CB-CB 4.42Å; L142-L186 PolarHBondContact N-O 2.96Å; L142-L186 PolarHBondContact O-N 3.13Å; L142-I188 HydrophobicContact CD1-CD1 3.87Å; L142-I188 HydrophobicContact CD2-CD1 4.41Å; L142-I188 HydrophobicContact CG-CD1 3.91Å; L142-I188 HydrophobicContact CG-CG1 4.43Å; L142-Y199 HydrophobicContact CD1-CD1 3.81Å; L142-Y199 HydrophobicContact CD1-CD2 4.36Å; L142-Y199 HydrophobicContact CD1-CE1 4.34Å; L142-Y199 HydrophobicContact CD1-CG 3.8Å; L142-I218 HydrophobicContact CD1-CD1 4.1Å; L142-I218 HydrophobicContact CD2-CD1 4.02Å
143T97.8Very high95.4Very high14 Ų1449.6 Ų49.69%0.08625%0.253CS..EExtended strand (participates in β ladder)trans-96.3125.4178-49.50000110.6V126 E127 N141 V183 M185V126-T143 VanDerWaalsContact CA-O 3.32Å; V126-T143 WeakPolarHBondContact CA-O 3.25Å; E127-T143 HydrophobicContact CG-CG2 4.39Å; E127-T143 PolarHBondContact N-O 2.99Å; E127-T143 WeakPolarHBondContact OE2-CB 3.37Å; E127-T143 WeakPolarHBondContact OE2-CG2 3.37Å; E127-T143 PolarHBondContact OE2-OG1 2.72Å; N141-T143 PolarHBondContact O-N 3.42Å; T143-V183 HydrophobicContact CG2-CG1 3.59Å; T143-M185 HydrophobicContact CG2-CE 4.35Å; T143-M185 HydrophobicContact CG2-CG 4.29Å
144C97.6Very high95.5Very high0 Ų047.2 Ų47.20%025%0.249CC..EExtended strand (participates in β ladder)trans-111.1140.4166.2-172.10000110.8V125 V126 I155 W157 V183 S184 C201V125-C144 WeakPolarHBondContact O-CA 3.31Å; V126-C144 HydrophobicContact CG2-CB 3.88Å; C144-I155 HydrophobicContact CB-CG2 4.37Å; C144-W157 HydrophobicContact CB-CH2 3.95Å; C144-W157 HydrophobicContact CB-CZ2 3.45Å; C144-W157 VanDerWaalsContact CB-CZ2 3.45Å; C144-V183 WeakPolarHBondContact O-CA 3.49Å; C144-S184 PolarHBondContact N-O 2.85Å; C144-S184 PolarHBondContact O-N 2.98Å; C144-C201 HydrophobicContact CB-CB 3.64Å; C144-C201 WeakPolarHBondContact CB-SG 3.42Å; C144-C201 WeakPolarHBondContact SG-CB 3.26Å; C144-C201 CovalentContact SG-SG 2.02Å; C144-C201 PolarHBondContact SG-SG 3.2Å
145R96.9Very high95.6Very high108 Ų10847.2 Ų47.241%0.40825%0.249SC..EExtended strand (participates in β ladder)trans-133.3131.8-174-172.7177.7-56.4-85.7-1.4110.8P124 V125 E127 V183P124-R145 WeakPolarHBondContact CA-O 3.31Å; V125-R145 PolarHBondContact N-O 3.16Å; V125-R145 PolarHBondContact O-N 3.26Å; E127-R145 IonicContact OE1-CZ 3.15Å; E127-R145 IonicContact OE1-NE 2.83Å; E127-R145 PolarHBondContact OE1-NE 2.83Å; E127-R145 VanDerWaalsContact OE1-NE 3.16Å; E127-R145 IonicContact OE1-NH2 3.84Å; E127-R145 PolarHBondContact OE1-NH2 2.85Å; R145-V183 HydrophobicContact CG-CG2 4.27Å
146A96.9Very high95.7Very high1 Ų143.4 Ų43.41%0.00824%0.235CC..EExtended strand (participates in β ladder)trans-137.7126.1171.400000109.3P121 I155 A182 V203P121-A146 HydrophobicContact CB-CB 4.25Å; A146-I155 HydrophobicContact CB-CD1 4.47Å; A146-A182 PolarHBondContact N-O 2.78Å; A146-A182 PolarHBondContact O-N 2.88Å; A146-V203 HydrophobicContact CB-CG1 3.96Å; A146-V203 HydrophobicContact CB-CG2 4.25Å
147S95.3Very high96Very high45 Ų4542.6 Ų42.632%0.31523%0.228SC..EExtended strand (participates in β ladder)trans-122.8168.8-169.765.50000113S122 A149S122-S147 PolarHBondContact N-O 2.78Å; S122-S147 PolarHBondContact OG-N 2.89Å; S147-A149 VanDerWaalsContact C-N 3.29Å; S147-A149 PolarHBondContact O-N 2.62Å
148G94.1Very high96.2Very high11 Ų1138.8 Ų38.811%0.11321%0.208CC..EExtended strand (participates in β ladder)trans75.310.3174.600000115.4V119 M174 R179 E180V119-G148 WeakPolarHBondContact CG1-O 3.28Å; G148-M174 VanDerWaalsContact CA-SD 3.54Å; G148-M174 PolarHBondContact N-SD 3.38Å; G148-R179 VanDerWaalsContact O-CD 3.23Å; G148-R179 WeakPolarHBondContact O-CD 3.49Å; G148-E180 PolarHBondContact N-O 2.94Å
149A95.8Very high96.2Very high0 Ų039.2 Ų39.20%020%0.202CC..EExtended strand (participates in β ladder)trans-83.2154-175.800000112.1V119 P121 S147 P151 A153 R179 E180V119-A149 CarbonylContact O-C 3.54Å; V119-A149 WeakPolarHBondContact O-CA 3.4Å; P121-A149 HydrophobicContact CB-CB 4Å; S147-A149 VanDerWaalsContact C-N 3.29Å; S147-A149 PolarHBondContact O-N 2.62Å; A149-P151 CarbonylContact C-O 3.51Å; A149-P151 VanDerWaalsContact CB-O 3.23Å; A149-P151 WeakPolarHBondContact CB-O 3.46Å; A149-A153 HydrophobicContact CB-CB 4.23Å; A149-R179 CarbonylContact O-C 3.55Å; A149-R179 WeakPolarHBondContact O-CA 3.4Å; A149-E180 PolarHBondContact N-O 3Å; A149-E180 VanDerWaalsContact N-O 3.09Å; A149-E180 PolarHBondContact O-N 2.8Å
150K95.5Very high95.7Very high35 Ų3539.5 Ų39.515%0.15220%0.198CC..BIsolated β-bridgetrans-141.6116.1163.7-167.1-176.6-175.4-166.80110.4L93 D96 L118 V119 K178L93-K150 HydrophobicContact CD1-CD 3.87Å; D96-K150 IonicContact OD1-NZ 3.98Å; D96-K150 PolarHBondContact OD1-NZ 3.22Å; D96-K150 IonicContact OD2-NZ 2.73Å; D96-K150 PolarHBondContact OD2-NZ 2.87Å; L118-K150 VanDerWaalsContact CA-O 3.28Å; L118-K150 WeakPolarHBondContact CA-O 3.25Å; V119-K150 HydrophobicContact CB-CB 3.95Å; V119-K150 HydrophobicContact CG2-CB 4.01Å; V119-K150 PolarHBondContact N-O 2.81Å; V119-K150 PolarHBondContact O-N 2.98Å; K150-K178 VanDerWaalsContact CD-O 3.23Å; K150-K178 WeakPolarHBondContact CD-O 3.37Å; K150-K178 WeakPolarHBondContact CE-O 3.43Å; K150-K178 WeakPolarHBondContact CG-O 3.48Å
151P95.2Very high95.3Very high56 Ų5639.3 Ų39.336%0.36421%0.213SC..SBendcis-62.8177.9-10.631.8-38000111.7A149 A153 N205 P206A149-P151 CarbonylContact C-O 3.51Å; A149-P151 VanDerWaalsContact CB-O 3.23Å; A149-P151 WeakPolarHBondContact CB-O 3.46Å; P151-A153 PolarHBondContact O-N 2.86Å; P151-N205 PolarHBondContact O-ND2 3.35Å; P151-P206 HydrophobicContact CG-CG 4.28Å
152A95.6Very high95.2Very high13 Ų1341.3 Ų41.311%0.10722%0.22CC..PPolyproline II helixtrans-47.1141.3167.400000111.7K171 E180A152-K171 HydrophobicContact CB-CB 4.02Å; A152-K171 HydrophobicContact CB-CD 3.51Å; A152-K171 HydrophobicContact CB-CG 4.43Å; A152-E180 HydrophobicContact CB-CB 3.69Å; A152-E180 HydrophobicContact CB-CG 4.38Å; A152-E180 VanDerWaalsContact CB-OE2 3.27Å; A152-E180 WeakPolarHBondContact CB-OE2 3.38Å; A152-E180 PolarHBondContact N-OE2 2.84Å
153A96.7Very high95.1Very high0 Ų044.8 Ų44.80%024%0.241CC..PPolyproline II helixtrans-82.2136.5177.400000111P121 A149 P151 Y169 A182 V203 L204 N205P121-A153 HydrophobicContact CB-CB 3.98Å; P121-A153 HydrophobicContact CG-CB 4Å; A149-A153 HydrophobicContact CB-CB 4.23Å; P151-A153 PolarHBondContact O-N 2.86Å; A153-Y169 PolarHBondContact O-OH 2.9Å; A153-A182 WeakPolarHBondContact O-CB 3.35Å; A153-V203 HydrophobicContact CB-CG1 3.39Å; A153-L204 CarbonylContact C-O 3.56Å; A153-L204 VanDerWaalsContact CA-O 3.32Å; A153-L204 WeakPolarHBondContact CA-O 3.4Å; A153-L204 WeakPolarHBondContact CB-O 3.36Å; A153-N205 HydrophobicContact CB-CB 4.03Å
154E96.2Very high95Very high123 Ų12345.7 Ų45.758%0.57525%0.245SC*.EExtended strand (participates in β ladder)trans-70.8138.4173.6179.9174.6-156.300109.4V203 L204E154-V203 CarbonylContact O-C 3.57Å; E154-V203 VanDerWaalsContact O-CA 3.27Å; E154-V203 WeakPolarHBondContact O-CA 3.5Å; E154-L204 HydrophobicContact CB-CB 4.43Å; E154-L204 PolarHBondContact N-O 2.83Å; E154-L204 PolarHBondContact O-N 2.81Å
155I97.2Very high94.6Very high12 Ų1254.4 Ų54.46%0.06229%0.285CS..EExtended strand (participates in β ladder)trans-123.8117.4-177.6-53.7-176.5000110C144 A146 Y169 A182 C201 R202 V203C144-I155 HydrophobicContact CB-CG2 4.37Å; A146-I155 HydrophobicContact CB-CD1 4.47Å; I155-Y169 HydrophobicContact CB-CD2 4.35Å; I155-Y169 HydrophobicContact CG1-CE2 4.27Å; I155-A182 HydrophobicContact CD1-CB 3.71Å; I155-A182 HydrophobicContact CG1-CB 4.12Å; I155-C201 WeakPolarHBondContact CG2-SG 3.37Å; I155-R202 WeakPolarHBondContact CA-O 3.37Å; I155-V203 HydrophobicContact CG1-CG2 4Å; I155-V203 HydrophobicContact CG2-CG2 4.26Å
156T96.9Very high94.4Very high28 Ų2853.6 Ų53.617%0.17229%0.293CS..EExtended strand (participates in β ladder)trans-113.4130.3177.4-44.70000109.7Y158 V163 R202T156-Y158 HydrophobicContact CG2-CD2 4.3Å; T156-Y158 HydrophobicContact CG2-CE2 3.71Å; T156-V163 HydrophobicContact CG2-CG1 3.82Å; T156-V163 HydrophobicContact CG2-CG2 4.34Å; T156-R202 PolarHBondContact N-O 3.22Å; T156-R202 PolarHBondContact O-N 2.89Å
157W97.8Very high94.4Very high1 Ų154.9 Ų54.90%0.00430%0.303CS..EExtended strand (participates in β ladder)trans-91.7140.1172.7-76.795.5000111.3V126 L142 C144 M164 A167 S184 L186 C201V126-W157 HydrophobicContact CB-CH2 4.45Å; V126-W157 HydrophobicContact CG1-CH2 3.9Å; V126-W157 HydrophobicContact CG2-CH2 3.63Å; V126-W157 HydrophobicContact CG2-CZ2 4.5Å; V126-W157 HydrophobicContact CG2-CZ3 4.06Å; L142-W157 HydrophobicContact CB-CH2 3.64Å; L142-W157 HydrophobicContact CB-CZ2 3.99Å; L142-W157 HydrophobicContact CB-CZ3 4.26Å; L142-W157 HydrophobicContact CD1-CZ3 4.38Å; L142-W157 WeakPolarHBondContact O-CZ2 3.2Å; C144-W157 HydrophobicContact CB-CH2 3.95Å; C144-W157 HydrophobicContact CB-CZ2 3.45Å; C144-W157 VanDerWaalsContact CB-CZ2 3.45Å; W157-M164 HydrophobicContact CB-CB 4.07Å; W157-M164 PolarHBondContact O-N 2.83Å; W157-A167 HydrophobicContact CG-CB 4.39Å; W157-S184 PolarHBondContact NE1-OG 2.8Å; W157-L186 HydrophobicContact CB-CD2 4.08Å; W157-L186 HydrophobicContact CD2-CB 3.93Å; W157-L186 HydrophobicContact CD2-CD2 4.06Å; W157-L186 HydrophobicContact CE3-CD2 4.18Å; W157-L186 HydrophobicContact CG-CB 3.95Å; W157-L186 HydrophobicContact CG-CD2 4.07Å; W157-L186 HydrophobicContact CG-CG 4.44Å; W157-L186 HydrophobicContact CZ2-CB 4.32Å; W157-C201 HydrophobicContact CD2-CB 4.49Å; W157-C201 HydrophobicContact CE3-CB 4.2Å; W157-C201 HydrophobicContact CH2-CB 4.33Å; W157-C201 HydrophobicContact CZ3-CB 4.11Å
158Y96.5Very high94.4Very high52 Ų5258 Ų5820%0.20432%0.315CS..EExtended strand (participates in β ladder)trans-124.3138.9173.3-66.8-100.2000110.2T156 E162 V163 Y199 T200 R202T156-Y158 HydrophobicContact CG2-CD2 4.3Å; T156-Y158 HydrophobicContact CG2-CE2 3.71Å; Y158-E162 CarbonylContact C-O 3.58Å; Y158-E162 WeakPolarHBondContact CA-O 3.43Å; Y158-V163 HydrophobicContact CD1-CG2 3.9Å; Y158-V163 HydrophobicContact CE1-CG2 3.4Å; Y158-Y199 CarbonylContact O-C 3.52Å; Y158-Y199 WeakPolarHBondContact O-CA 2.96Å; Y158-T200 PolarHBondContact N-O 2.75Å; Y158-T200 PolarHBondContact O-N 3.07Å; Y158-R202 HydrophobicContact CD2-CB 3.97Å; Y158-R202 HydrophobicContact CE2-CB 3.67Å; Y158-R202 HydrophobicContact CE2-CG 4.35Å
159R94.8Very high94.5Very high80 Ų8062 Ų6230%0.30233%0.328SS..EExtended strand (participates in β ladder)trans-118117.8168.5179.7-175.665-177.6-4108.1G161 E162 M164 Y199R159-G161 PolarHBondContact O-N 2.84Å; R159-E162 PolarHBondContact N-O 2.78Å; R159-E162 PolarHBondContact O-N 2.88Å; R159-M164 HydrophobicContact CB-CE 4.07Å; R159-M164 HydrophobicContact CB-CG 3.94Å; R159-M164 HydrophobicContact CB-SD 3.69Å; R159-Y199 HydrophobicContact CB-CD1 4.19Å; R159-Y199 HydrophobicContact CB-CE1 4.02Å; R159-Y199 WeakPolarHBondContact CD-OH 3.02Å; R159-Y199 HydrophobicContact CG-CD1 4.4Å; R159-Y199 HydrophobicContact CG-CE1 3.97Å; R159-Y199 HydrophobicContact CG-CE2 4.21Å
160D85.3Confident94.6Very high102 Ų10264.7 Ų64.755%0.54535%0.346SS..THydrogen-bonded Turntrans51.519.3178.7-50.3-42.1000115.3R197 T198D160-R197 WeakPolarHBondContact OD2-CD 3.42Å; D160-T198 PolarHBondContact N-O 2.91Å; D160-T198 PolarHBondContact OD1-N 3.05Å; D160-T198 VanDerWaalsContact OD1-N 3.11Å
161G86.4Confident94.6Very high59 Ų5968.6 Ų68.661%0.60836%0.363SS*.THydrogen-bonded Turntrans114.3-19-17900000115.2R159R159-G161 PolarHBondContact O-N 2.84Å
162E92.9Very high94.6Very high127 Ų12768.7 Ų68.759%0.59337%0.369SS*.EExtended strand (participates in β ladder)trans-89.1142.7180-60.8-173.5147.500112.3Y158 R159 M164Y158-E162 CarbonylContact C-O 3.58Å; Y158-E162 WeakPolarHBondContact CA-O 3.43Å; R159-E162 PolarHBondContact N-O 2.78Å; R159-E162 PolarHBondContact O-N 2.88Å; E162-M164 HydrophobicContact CB-CE 4.02Å
163V95.2Very high94.6Very high74 Ų7473.2 Ų73.245%0.44839%0.391SS..EExtended strand (participates in β ladder)trans-75.3132.3177.8174.70000110.9T156 Y158T156-V163 HydrophobicContact CG2-CG1 3.82Å; T156-V163 HydrophobicContact CG2-CG2 4.34Å; Y158-V163 HydrophobicContact CD1-CG2 3.9Å; Y158-V163 HydrophobicContact CE1-CG2 3.4Å
164M95.3Very high94.5Very high32 Ų3276.1 Ų76.116%0.15841%0.405CS..  trans-100104.1178.1-58.2-72.793.500111W157 R159 E162 T166 L186W157-M164 HydrophobicContact CB-CB 4.07Å; W157-M164 PolarHBondContact O-N 2.83Å; R159-M164 HydrophobicContact CB-CE 4.07Å; R159-M164 HydrophobicContact CB-CG 3.94Å; R159-M164 HydrophobicContact CB-SD 3.69Å; E162-M164 HydrophobicContact CB-CE 4.02Å; M164-T166 VanDerWaalsContact C-N 3.34Å; M164-T166 PolarHBondContact O-N 2.72Å; M164-L186 HydrophobicContact CB-CD1 3.7Å; M164-L186 HydrophobicContact CB-CD2 4.27Å; M164-L186 HydrophobicContact CG-CD1 4.44Å; M164-L186 HydrophobicContact CG-CD2 4.23Å
165E90.9Very high94.3Very high183 Ų18380.2 Ų80.286%0.85542%0.424SS*.THydrogen-bonded Turntrans-77.3-12.7-175.7-60.2-173.1160.600114.6A167E165-A167 PolarHBondContact O-N 2.78Å
166T92.9Very high93.9Very high92 Ų9282.6 Ų82.656%0.56444%0.437SS*.THydrogen-bonded Turntrans-76.20.6-177.554.10000114.4M164 L186 P187M164-T166 VanDerWaalsContact C-N 3.34Å; M164-T166 PolarHBondContact O-N 2.72Å; T166-L186 WeakPolarHBondContact OG1-CD1 3.44Å; T166-P187 VanDerWaalsContact O-CD 3.25Å; T166-P187 WeakPolarHBondContact O-CD 3.49Å
167A95.3Very high93.5Very high27 Ų2783.5 Ų83.522%0.22345%0.451CS..  trans-76132.2-174.800000113.3W157 E165 Y169 M185 L186W157-A167 HydrophobicContact CG-CB 4.39Å; E165-A167 PolarHBondContact O-N 2.78Å; A167-Y169 PolarHBondContact O-N 2.98Å; A167-M185 CarbonylContact C-O 3.49Å; A167-M185 WeakPolarHBondContact CA-O 3.39Å; A167-L186 HydrophobicContact CB-CB 4.41Å; A167-L186 HydrophobicContact CB-CD1 4.05Å
168I96.2Very high93.1Very high112 Ų11287.2 Ų87.257%0.57447%0.468SS*.EExtended strand (participates in β ladder)trans-90.5103.8178.7-55.7175.9000108.8S184 M185I168-S184 WeakPolarHBondContact O-CA 3.43Å; I168-M185 PolarHBondContact N-O 3.35Å; I168-M185 PolarHBondContact O-N 2.85Å
169Y96.9Very high93.1Very high95 Ų9588.9 Ų88.937%0.37347%0.474SS..EExtended strand (participates in β ladder)trans-82.9140.8175.1176.4-95.4000112.2A153 I155 A167 K171 A182A153-Y169 PolarHBondContact O-OH 2.9Å; I155-Y169 HydrophobicContact CB-CD2 4.35Å; I155-Y169 HydrophobicContact CG1-CE2 4.27Å; A167-Y169 PolarHBondContact O-N 2.98Å; Y169-K171 HydrophobicContact CE1-CB 4.42Å; Y169-K171 HydrophobicContact CE1-CG 4.49Å; Y169-A182 HydrophobicContact CE2-CB 3.91Å
170S96.6Very high93.1Very high56 Ų5686.7 Ų86.739%0.39247%0.467SS..EExtended strand (participates in β ladder)trans-145.7155.1175.164.20000110.9V183S170-V183 PolarHBondContact N-O 2.87Å; S170-V183 PolarHBondContact O-N 2.89Å; S170-V183 VanDerWaalsContact O-O 3.11Å; S170-V183 PolarHBondContact OG-O 2.82Å
171K95.6Very high93.7Very high117 Ų11782.9 Ų82.951%0.50945%0.449SS..EExtended strand (participates in β ladder)trans-140.1151.717365.8167.4-172.5156.20112.3A152 Y169 E180 A181A152-K171 HydrophobicContact CB-CB 4.02Å; A152-K171 HydrophobicContact CB-CD 3.51Å; A152-K171 HydrophobicContact CB-CG 4.43Å; Y169-K171 HydrophobicContact CE1-CB 4.42Å; Y169-K171 HydrophobicContact CE1-CG 4.49Å; K171-E180 WeakPolarHBondContact CD-OE1 3.43Å; K171-E180 WeakPolarHBondContact CE-OE1 3.38Å; K171-E180 IonicContact NZ-OE1 2.77Å; K171-E180 PolarHBondContact NZ-OE1 2.92Å; K171-E180 IonicContact NZ-OE2 2.71Å; K171-E180 PolarHBondContact NZ-OE2 2.6Å; K171-A181 CarbonylContact C-O 3.59Å; K171-A181 VanDerWaalsContact CA-O 3.23Å; K171-A181 WeakPolarHBondContact CA-O 3.38Å
172A95.4Very high94.2Very high58 Ų5880 Ų8048%0.47942%0.42SS..EExtended strand (participates in β ladder)trans-135.2146.2177.300000110.8E180 A181A172-E180 CarbonylContact O-C 3.54Å; A172-E180 VanDerWaalsContact O-CA 3.29Å; A172-E180 WeakPolarHBondContact O-CA 3.42Å; A172-A181 PolarHBondContact N-O 2.95Å; A172-A181 PolarHBondContact O-N 2.92Å
173L95.6Very high94.4Very high108 Ų10874.8 Ų74.857%0.56540%0.397SS*.EExtended strand (participates in β ladder)trans-75.1141.1172.2-164.668.9000109.7E180L173-E180 HydrophobicContact CD1-CG 4.11Å
174M94.2Very high94.5Very high60 Ų6071.3 Ų71.330%0.29638%0.376SS..  trans-84.5167.4177.1-63.2-173.466.400111.8G148 D176 G177 R179 A181G148-M174 VanDerWaalsContact CA-SD 3.54Å; G148-M174 PolarHBondContact N-SD 3.38Å; M174-D176 PolarHBondContact O-N 2.87Å; M174-D176 VanDerWaalsContact O-N 3.08Å; M174-G177 PolarHBondContact O-N 2.94Å; M174-R179 HydrophobicContact CB-CB 4.43Å; M174-R179 WeakPolarHBondContact CB-O 3.48Å; M174-R179 HydrophobicContact CG-CB 4.41Å; M174-R179 PolarHBondContact N-O 3.13Å; M174-R179 HydrophobicContact SD-CB 3.94Å; M174-A181 HydrophobicContact CG-CB 4.38Å
175E91.6Very high94.6Very high210 Ų21073.2 Ų73.298%0.98139%0.385SS*.THydrogen-bonded Turntrans-56.9-25.2-176.6-60.7-179.215900114.2G177E175-G177 PolarHBondContact O-N 2.87Å
176D88.9Confident94.9Very high62 Ų6264.5 Ų64.533%0.33235%0.345SS..THydrogen-bonded Turntrans-76.2-4.7175.460.351.5000114.7M174 K178 R179M174-D176 PolarHBondContact O-N 2.87Å; M174-D176 VanDerWaalsContact O-N 3.08Å; D176-K178 PolarHBondContact O-N 3.43Å; D176-K178 VanDerWaalsContact O-N 3.11Å; D176-K178 WeakPolarHBondContact OD1-CA 3.39Å; D176-K178 PolarHBondContact OD1-N 3.2Å; D176-R179 PolarHBondContact OD1-N 3.32Å; D176-R179 IonicContact OD2-CZ 2.67Å; D176-R179 IonicContact OD2-NE 3.74Å; D176-R179 PolarHBondContact OD2-NE 2.87Å; D176-R179 IonicContact OD2-NH2 3.94Å; D176-R179 PolarHBondContact OD2-NH2 3.19Å
177G89Confident95.1Very high46 Ų4662.6 Ų62.647%0.47433%0.333SS..SBendtrans66.47.8178.600000115.2M174 E175M174-G177 PolarHBondContact O-N 2.94Å; E175-G177 PolarHBondContact O-N 2.87Å
178K89.8Confident95.1Very high80 Ų8062.2 Ų62.235%0.34833%0.328SS..SBendtrans-127.2-33.5-173.3-74.9-172.7168.2-173.50114.2L93 K150 D176L93-K178 HydrophobicContact CD1-CB 4.04Å; L93-K178 HydrophobicContact CD1-CD 4.1Å; L93-K178 HydrophobicContact CD2-CB 4.06Å; L93-K178 HydrophobicContact CD2-CD 4.44Å; L93-K178 HydrophobicContact CG-CB 4.19Å; L93-K178 HydrophobicContact CG-CD 3.88Å; L93-K178 PolarHBondContact O-NZ 3.11Å; K150-K178 VanDerWaalsContact CD-O 3.23Å; K150-K178 WeakPolarHBondContact CD-O 3.37Å; K150-K178 WeakPolarHBondContact CE-O 3.43Å; K150-K178 WeakPolarHBondContact CG-O 3.48Å; D176-K178 PolarHBondContact O-N 3.43Å; D176-K178 VanDerWaalsContact O-N 3.11Å; D176-K178 WeakPolarHBondContact OD1-CA 3.39Å; D176-K178 PolarHBondContact OD1-N 3.2Å
179R95.4Very high95.1Very high86 Ų8662.3 Ų62.333%0.32533%0.328SS..  trans-97.8154.1175.6-69.4176.9-62.81743.2110.9L93 G148 A149 M174 D176L93-R179 HydrophobicContact CD2-CG 3.75Å; G148-R179 VanDerWaalsContact O-CD 3.23Å; G148-R179 WeakPolarHBondContact O-CD 3.49Å; A149-R179 CarbonylContact O-C 3.55Å; A149-R179 WeakPolarHBondContact O-CA 3.4Å; M174-R179 HydrophobicContact CB-CB 4.43Å; M174-R179 WeakPolarHBondContact CB-O 3.48Å; M174-R179 HydrophobicContact CG-CB 4.41Å; M174-R179 PolarHBondContact N-O 3.13Å; M174-R179 HydrophobicContact SD-CB 3.94Å; D176-R179 PolarHBondContact OD1-N 3.32Å; D176-R179 IonicContact OD2-CZ 2.67Å; D176-R179 IonicContact OD2-NE 3.74Å; D176-R179 PolarHBondContact OD2-NE 2.87Å; D176-R179 IonicContact OD2-NH2 3.94Å; D176-R179 PolarHBondContact OD2-NH2 3.19Å
180E96.1Very high95Very high35 Ų3557.8 Ų57.816%0.16431%0.311CS..EExtended strand (participates in β ladder)trans-118.4149.8177.6-56.8-170.611100110.5G148 A149 A152 K171 A172 L173G148-E180 PolarHBondContact N-O 2.94Å; A149-E180 PolarHBondContact N-O 3Å; A149-E180 VanDerWaalsContact N-O 3.09Å; A149-E180 PolarHBondContact O-N 2.8Å; A152-E180 HydrophobicContact CB-CB 3.69Å; A152-E180 HydrophobicContact CB-CG 4.38Å; A152-E180 VanDerWaalsContact CB-OE2 3.27Å; A152-E180 WeakPolarHBondContact CB-OE2 3.38Å; A152-E180 PolarHBondContact N-OE2 2.84Å; K171-E180 WeakPolarHBondContact CD-OE1 3.43Å; K171-E180 WeakPolarHBondContact CE-OE1 3.38Å; K171-E180 IonicContact NZ-OE1 2.77Å; K171-E180 PolarHBondContact NZ-OE1 2.92Å; K171-E180 IonicContact NZ-OE2 2.71Å; K171-E180 PolarHBondContact NZ-OE2 2.6Å; A172-E180 CarbonylContact O-C 3.54Å; A172-E180 VanDerWaalsContact O-CA 3.29Å; A172-E180 WeakPolarHBondContact O-CA 3.42Å; L173-E180 HydrophobicContact CD1-CG 4.11Å
181A96.8Very high94.9Very high21 Ų2160.1 Ų60.117%0.17432%0.315CS..EExtended strand (participates in β ladder)trans-110134.5167.300000109.7K171 A172 M174K171-A181 CarbonylContact C-O 3.59Å; K171-A181 VanDerWaalsContact CA-O 3.23Å; K171-A181 WeakPolarHBondContact CA-O 3.38Å; A172-A181 PolarHBondContact N-O 2.95Å; A172-A181 PolarHBondContact O-N 2.92Å; M174-A181 HydrophobicContact CG-CB 4.38Å
182A97.3Very high94.6Very high0 Ų058.1 Ų58.10%031%0.31CS..EExtended strand (participates in β ladder)trans-105.9139.7177.300000110.5A146 A153 I155 Y169A146-A182 PolarHBondContact N-O 2.78Å; A146-A182 PolarHBondContact O-N 2.88Å; A153-A182 WeakPolarHBondContact O-CB 3.35Å; I155-A182 HydrophobicContact CD1-CB 3.71Å; I155-A182 HydrophobicContact CG1-CB 4.12Å; Y169-A182 HydrophobicContact CE2-CB 3.91Å
183V97.6Very high94.4Very high16 Ų1658 Ų5810%0.09731%0.306CS..EExtended strand (participates in β ladder)trans-137.9127.6177.5-174.20000108.7T143 C144 R145 S170 M185T143-V183 HydrophobicContact CG2-CG1 3.59Å; C144-V183 WeakPolarHBondContact O-CA 3.49Å; R145-V183 HydrophobicContact CG-CG2 4.27Å; S170-V183 PolarHBondContact N-O 2.87Å; S170-V183 PolarHBondContact O-N 2.89Å; S170-V183 VanDerWaalsContact O-O 3.11Å; S170-V183 PolarHBondContact OG-O 2.82Å; V183-M185 HydrophobicContact CG1-CE 4.3Å
184S97.8Very high94.3Very high1 Ų153.2 Ų53.21%0.00728%0.281CS..EExtended strand (participates in β ladder)trans-124.3126.9177.4-176.50000110.4C144 W157 I168C144-S184 PolarHBondContact N-O 2.85Å; C144-S184 PolarHBondContact O-N 2.98Å; W157-S184 PolarHBondContact NE1-OG 2.8Å; I168-S184 WeakPolarHBondContact O-CA 3.43Å
185M97.5Very high94.2Very high72 Ų7253 Ų5336%0.35529%0.285SS..EExtended strand (participates in β ladder)trans-110.5115.5-179.2-65.9178.5-179.400110L142 T143 A167 I168 V183 P187L142-M185 CarbonylContact O-C 3.59Å; L142-M185 WeakPolarHBondContact O-CA 3.3Å; T143-M185 HydrophobicContact CG2-CE 4.35Å; T143-M185 HydrophobicContact CG2-CG 4.29Å; A167-M185 CarbonylContact C-O 3.49Å; A167-M185 WeakPolarHBondContact CA-O 3.39Å; I168-M185 PolarHBondContact N-O 3.35Å; I168-M185 PolarHBondContact O-N 2.85Å; V183-M185 HydrophobicContact CG1-CE 4.3Å; M185-P187 WeakPolarHBondContact O-CD 3.38Å
186L97.3Very high94.3Very high1 Ų145.3 Ų45.31%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-95.1110.2174.8179.369000110N141 L142 W157 M164 T166 A167 I188 Y199N141-L186 WeakPolarHBondContact CA-O 3.45Å; L142-L186 HydrophobicContact CB-CB 4.42Å; L142-L186 PolarHBondContact N-O 2.96Å; L142-L186 PolarHBondContact O-N 3.13Å; W157-L186 HydrophobicContact CB-CD2 4.08Å; W157-L186 HydrophobicContact CD2-CB 3.93Å; W157-L186 HydrophobicContact CD2-CD2 4.06Å; W157-L186 HydrophobicContact CE3-CD2 4.18Å; W157-L186 HydrophobicContact CG-CB 3.95Å; W157-L186 HydrophobicContact CG-CD2 4.07Å; W157-L186 HydrophobicContact CG-CG 4.44Å; W157-L186 HydrophobicContact CZ2-CB 4.32Å; M164-L186 HydrophobicContact CB-CD1 3.7Å; M164-L186 HydrophobicContact CB-CD2 4.27Å; M164-L186 HydrophobicContact CG-CD1 4.44Å; M164-L186 HydrophobicContact CG-CD2 4.23Å; T166-L186 WeakPolarHBondContact OG1-CD1 3.44Å; A167-L186 HydrophobicContact CB-CB 4.41Å; A167-L186 HydrophobicContact CB-CD1 4.05Å; L186-I188 HydrophobicContact CD2-CG2 4.13Å; L186-I188 HydrophobicContact CG-CG2 4.05Å; L186-Y199 HydrophobicContact CD2-CD1 3.64Å; L186-Y199 HydrophobicContact CD2-CE1 3.83Å
187P96.8Very high94.5Very high51 Ų5145.9 Ų45.933%0.33126%0.26SS..EExtended strand (participates in β ladder)trans-74129.517330.8-33.3000110.6T166 M185T166-P187 VanDerWaalsContact O-CD 3.25Å; T166-P187 WeakPolarHBondContact O-CD 3.49Å; M185-P187 WeakPolarHBondContact O-CD 3.38Å
188I95.6Very high94.8Very high20 Ų2045.9 Ų45.910%0.10325%0.25CS..EExtended strand (participates in β ladder)trans-133.1154.6176.659.2168.1000110.9L134 P139 H140 L142 L186 Y199L134-I188 HydrophobicContact CD1-CD1 3.7Å; P139-I188 WeakPolarHBondContact CA-O 3.41Å; H140-I188 HydrophobicContact CB-CG1 4.31Å; H140-I188 PolarHBondContact N-O 3.37Å; H140-I188 WeakPolarHBondContact O-CG1 3.12Å; H140-I188 PolarHBondContact O-N 2.96Å; H140-I188 VanDerWaalsContact O-O 3.14Å; L142-I188 HydrophobicContact CD1-CD1 3.87Å; L142-I188 HydrophobicContact CD2-CD1 4.41Å; L142-I188 HydrophobicContact CG-CD1 3.91Å; L142-I188 HydrophobicContact CG-CG1 4.43Å; L186-I188 HydrophobicContact CD2-CG2 4.13Å; L186-I188 HydrophobicContact CG-CG2 4.05Å; I188-Y199 HydrophobicContact CG2-CE1 4.01Å
189I95.8Very high95.1Very high113 Ų11342.3 Ų42.358%0.57924%0.235SC*.  trans-120.7104.6165.3-55.6179.6000105.2P139P139-I189 HydrophobicContact CB-CG1 4.3Å; P139-I189 HydrophobicContact CG-CD1 4.42Å; P139-I189 HydrophobicContact CG-CG1 4.19Å
190P94.9Very high95.2Very high1 Ų139.3 Ų39.31%0.00623%0.226CC..  trans-77.2127.4-171.230.3-33.9000111.3L134 K135 A136 H137 T138 V220L134-P190 HydrophobicContact CB-CB 4.43Å; L134-P190 HydrophobicContact CB-CG 3.98Å; L134-P190 HydrophobicContact CD1-CB 4.19Å; L134-P190 HydrophobicContact CD1-CG 4.06Å; K135-P190 WeakPolarHBondContact O-CG 3.32Å; A136-P190 CarbonylContact C-O 3.47Å; A136-P190 WeakPolarHBondContact CA-O 3.48Å; H137-P190 PolarHBondContact N-O 2.85Å; T138-P190 WeakPolarHBondContact O-CD 3.19Å; P190-V220 HydrophobicContact CB-CG1 4.37Å; P190-V220 HydrophobicContact CB-CG2 3.88Å
191E93.7Very high95.2Very high104 Ų10437.6 Ų37.649%0.48622%0.218SC..  trans-90.7163.2168.3-62.9179.2173.800110.7S193 D194 V220E191-S193 PolarHBondContact O-N 2.6Å; E191-S193 VanDerWaalsContact O-N 3.08Å; E191-S193 PolarHBondContact OE2-OG 2.98Å; E191-D194 PolarHBondContact N-OD2 2.78Å; E191-D194 WeakPolarHBondContact O-CB 3.44Å; E191-D194 PolarHBondContact O-N 2.83Å; E191-V220 WeakPolarHBondContact O-CG2 3.36Å
192D90.1Very high95.2Very high75 Ų7540.5 Ų40.540%0.40123%0.225SC..G310 helixtrans-57.8-25168.9-57.5-43.5000111.7A136 D194 S195 H222A136-D192 VanDerWaalsContact CB-OD1 3.25Å; A136-D192 WeakPolarHBondContact CB-OD1 3.36Å; D192-D194 VanDerWaalsContact C-N 3.3Å; D192-D194 PolarHBondContact O-N 2.79Å; D192-S195 WeakPolarHBondContact O-CB 3.49Å; D192-S195 PolarHBondContact O-N 2.91Å; D192-H222 WeakPolarHBondContact OD1-CB 3.41Å; D192-H222 IonicContact OD1-CD2 2.62Å; D192-H222 IonicContact OD1-CG 3.38Å
193S91.6Very high95.2Very high56 Ų5640.6 Ų40.639%0.39223%0.225SC..G310 helixtrans-68.1-21.6173.790.60000114.2E191 S195 R197E191-S193 PolarHBondContact O-N 2.6Å; E191-S193 VanDerWaalsContact O-N 3.08Å; E191-S193 PolarHBondContact OE2-OG 2.98Å; S193-S195 VanDerWaalsContact C-N 3.32Å; S193-R197 VanDerWaalsContact C-CZ 3.5Å; S193-R197 PolarHBondContact O-NE 2.85Å; S193-R197 PolarHBondContact O-NH1 3.08Å; S193-R197 PolarHBondContact O-NH2 2.81Å; S193-R197 PolarHBondContact OG-NH1 3.36Å; S193-R197 PolarHBondContact OG-NH2 3.38Å
194D92.5Very high95.2Very high8 Ų842.2 Ų42.24%0.04323%0.233CC..G310 helixtrans-79.6-10.4176.6-72-64.1000113.4E191 D192 G196 R197 Y199 V220E191-D194 PolarHBondContact N-OD2 2.78Å; E191-D194 WeakPolarHBondContact O-CB 3.44Å; E191-D194 PolarHBondContact O-N 2.83Å; D192-D194 VanDerWaalsContact C-N 3.3Å; D192-D194 PolarHBondContact O-N 2.79Å; D194-G196 PolarHBondContact O-N 2.66Å; D194-G196 VanDerWaalsContact O-N 3.15Å; D194-R197 WeakPolarHBondContact O-CB 3.08Å; D194-R197 PolarHBondContact O-N 2.83Å; D194-R197 WeakPolarHBondContact OD1-CD 3.43Å; D194-R197 IonicContact OD1-CZ 3.58Å; D194-R197 IonicContact OD1-NE 3.78Å; D194-R197 IonicContact OD1-NH1 2.75Å; D194-R197 PolarHBondContact OD1-NH1 2.85Å; D194-R197 IonicContact OD2-NH1 3.66Å; D194-Y199 PolarHBondContact OD1-OH 3.23Å; D194-V220 HydrophobicContact CB-CG2 4.01Å
195S93.3Very high95.1Very high54 Ų5442.6 Ų42.638%0.37824%0.235SC..THydrogen-bonded Turntrans-65.1116.4-178.2-148.30000110.7D192 S193 V220D192-S195 WeakPolarHBondContact O-CB 3.49Å; D192-S195 PolarHBondContact O-N 2.91Å; S193-S195 VanDerWaalsContact C-N 3.32Å; S195-V220 PolarHBondContact OG-N 3.01Å; S195-V220 VanDerWaalsContact OG-N 3.07Å
196G92.4Very high95Very high49 Ų4943 Ų4351%0.50524%0.243SC..THydrogen-bonded Turntrans94.5-10.7-172.500000115.4D194 I218D194-G196 PolarHBondContact O-N 2.66Å; D194-G196 VanDerWaalsContact O-N 3.15Å; G196-I218 PolarHBondContact N-O 3.15Å
197R93.9Very high94.9Very high74 Ų7443.6 Ų43.628%0.27925%0.248SC..  trans-67148.9174.4-67.9-169.9-174.3126.39.5111.3D160 S193 D194 Y199 T217 I218D160-R197 WeakPolarHBondContact OD2-CD 3.42Å; S193-R197 VanDerWaalsContact C-CZ 3.5Å; S193-R197 PolarHBondContact O-NE 2.85Å; S193-R197 PolarHBondContact O-NH1 3.08Å; S193-R197 PolarHBondContact O-NH2 2.81Å; S193-R197 PolarHBondContact OG-NH1 3.36Å; S193-R197 PolarHBondContact OG-NH2 3.38Å; D194-R197 WeakPolarHBondContact O-CB 3.08Å; D194-R197 PolarHBondContact O-N 2.83Å; D194-R197 WeakPolarHBondContact OD1-CD 3.43Å; D194-R197 IonicContact OD1-CZ 3.58Å; D194-R197 IonicContact OD1-NE 3.78Å; D194-R197 IonicContact OD1-NH1 2.75Å; D194-R197 PolarHBondContact OD1-NH1 2.85Å; D194-R197 IonicContact OD2-NH1 3.66Å; R197-Y199 HydrophobicContact CB-CE2 4.32Å; R197-T217 WeakPolarHBondContact O-CA 3.32Å; R197-I218 PolarHBondContact O-N 3.49Å
198T95.3Very high94.7Very high46 Ų4642.1 Ų42.128%0.28224%0.24SC..EExtended strand (participates in β ladder)trans-116.8119-173-64.40000111.8D160 V216 T217D160-T198 PolarHBondContact N-O 2.91Å; D160-T198 PolarHBondContact OD1-N 3.05Å; D160-T198 VanDerWaalsContact OD1-N 3.11Å; T198-V216 WeakPolarHBondContact CA-O 3.34Å; T198-T217 PolarHBondContact OG1-OG1 3.45Å
199Y96.1Very high94.5Very high5 Ų546.8 Ų46.82%0.0227%0.272CS..EExtended strand (participates in β ladder)trans-99.8122178.4-71.9-105000109.3L142 Y158 R159 L186 I188 D194 R197 S215 V216 I218L142-Y199 HydrophobicContact CD1-CD1 3.81Å; L142-Y199 HydrophobicContact CD1-CD2 4.36Å; L142-Y199 HydrophobicContact CD1-CE1 4.34Å; L142-Y199 HydrophobicContact CD1-CG 3.8Å; Y158-Y199 CarbonylContact O-C 3.52Å; Y158-Y199 WeakPolarHBondContact O-CA 2.96Å; R159-Y199 HydrophobicContact CB-CD1 4.19Å; R159-Y199 HydrophobicContact CB-CE1 4.02Å; R159-Y199 WeakPolarHBondContact CD-OH 3.02Å; R159-Y199 HydrophobicContact CG-CD1 4.4Å; R159-Y199 HydrophobicContact CG-CE1 3.97Å; R159-Y199 HydrophobicContact CG-CE2 4.21Å; L186-Y199 HydrophobicContact CD2-CD1 3.64Å; L186-Y199 HydrophobicContact CD2-CE1 3.83Å; I188-Y199 HydrophobicContact CG2-CE1 4.01Å; D194-Y199 PolarHBondContact OD1-OH 3.23Å; R197-Y199 HydrophobicContact CB-CE2 4.32Å; Y199-S215 CarbonylContact O-C 3.55Å; Y199-S215 WeakPolarHBondContact O-CA 3.31Å; Y199-V216 PolarHBondContact N-O 2.89Å; Y199-V216 PolarHBondContact O-N 3.05Å; Y199-I218 HydrophobicContact CD2-CD1 4.05Å; Y199-I218 HydrophobicContact CD2-CG1 3.53Å; Y199-I218 HydrophobicContact CE2-CD1 4.42Å; Y199-I218 HydrophobicContact CE2-CG1 3.59Å
200T97.2Very high94.4Very high23 Ų2345.6 Ų45.614%0.14128%0.279CS..EExtended strand (participates in β ladder)trans-111.6120.2-177.6-620000110.2Y158 Q213 T214 S215Y158-T200 PolarHBondContact N-O 2.75Å; Y158-T200 PolarHBondContact O-N 3.07Å; T200-Q213 HydrophobicContact CG2-CB 4.09Å; T200-Q213 HydrophobicContact CG2-CG 4.46Å; T200-T214 CarbonylContact C-O 3.57Å; T200-T214 WeakPolarHBondContact CA-O 3.3Å; T200-S215 WeakPolarHBondContact CG2-OG 3.25Å; T200-S215 PolarHBondContact OG1-OG 2.82Å
201C96.9Very high94.2Very high0 Ų046.4 Ų46.40%029%0.288CS..EExtended strand (participates in β ladder)trans-87.4114.1168172.10000108.8V126 C144 I155 W157 Q213 T214V126-C201 HydrophobicContact CG2-CB 3.75Å; C144-C201 HydrophobicContact CB-CB 3.64Å; C144-C201 WeakPolarHBondContact CB-SG 3.42Å; C144-C201 WeakPolarHBondContact SG-CB 3.26Å; C144-C201 CovalentContact SG-SG 2.02Å; C144-C201 PolarHBondContact SG-SG 3.2Å; I155-C201 WeakPolarHBondContact CG2-SG 3.37Å; W157-C201 HydrophobicContact CD2-CB 4.49Å; W157-C201 HydrophobicContact CE3-CB 4.2Å; W157-C201 HydrophobicContact CH2-CB 4.33Å; W157-C201 HydrophobicContact CZ3-CB 4.11Å; C201-Q213 CarbonylContact O-C 3.51Å; C201-Q213 WeakPolarHBondContact O-CA 3.39Å; C201-Q213 WeakPolarHBondContact O-CB 3.17Å; C201-T214 HydrophobicContact CB-CG2 4.11Å; C201-T214 PolarHBondContact N-O 2.93Å; C201-T214 PolarHBondContact O-N 2.92Å
202R96.4Very high94.3Very high82 Ų8245.3 Ų45.331%0.30928%0.279SS..EExtended strand (participates in β ladder)trans-103139.4173.1-171.1178.1-175.7-176.22.4109.7I155 T156 Y158 Q213I155-R202 WeakPolarHBondContact CA-O 3.37Å; T156-R202 PolarHBondContact N-O 3.22Å; T156-R202 PolarHBondContact O-N 2.89Å; Y158-R202 HydrophobicContact CD2-CB 3.97Å; Y158-R202 HydrophobicContact CE2-CB 3.67Å; Y158-R202 HydrophobicContact CE2-CG 4.35Å; R202-Q213 HydrophobicContact CB-CB 4.35Å; R202-Q213 HydrophobicContact CG-CB 4.38Å
203V97.3Very high94.6Very high1 Ų147.6 Ų47.61%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-127.8126.6-175.8179.40000110.2P121 P124 A146 A153 E154 I155 G211 R212P121-V203 HydrophobicContact CB-CG1 4.44Å; P121-V203 HydrophobicContact CG-CG1 4.14Å; P124-V203 HydrophobicContact CB-CG2 3.65Å; P124-V203 HydrophobicContact CG-CG2 4.14Å; A146-V203 HydrophobicContact CB-CG1 3.96Å; A146-V203 HydrophobicContact CB-CG2 4.25Å; A153-V203 HydrophobicContact CB-CG1 3.39Å; E154-V203 CarbonylContact O-C 3.57Å; E154-V203 VanDerWaalsContact O-CA 3.27Å; E154-V203 WeakPolarHBondContact O-CA 3.5Å; I155-V203 HydrophobicContact CG1-CG2 4Å; I155-V203 HydrophobicContact CG2-CG2 4.26Å; V203-G211 CarbonylContact O-C 3.6Å; V203-G211 WeakPolarHBondContact O-CA 3.23Å; V203-R212 PolarHBondContact N-O 2.85Å; V203-R212 PolarHBondContact O-N 3.47Å
204L96.5Very high94.8Very high51 Ų5146.9 Ų46.927%0.26728%0.281SS..EExtended strand (participates in β ladder)trans-116.9140-178.2-66174000110.4A153 E154A153-L204 CarbonylContact C-O 3.56Å; A153-L204 VanDerWaalsContact CA-O 3.32Å; A153-L204 WeakPolarHBondContact CA-O 3.4Å; A153-L204 WeakPolarHBondContact CB-O 3.36Å; E154-L204 HydrophobicContact CB-CB 4.43Å; E154-L204 PolarHBondContact N-O 2.83Å; E154-L204 PolarHBondContact O-N 2.81Å
205N96.3Very high94.9Very high8 Ų849 Ų494%0.04330%0.296CS..EExtended strand (participates in β ladder)trans-153.2142.9178-170.4-89000111.3P121 P151 A153 A207 A208P121-N205 HydrophobicContact CG-CB 4.09Å; P151-N205 PolarHBondContact O-ND2 3.35Å; A153-N205 HydrophobicContact CB-CB 4.03Å; N205-A207 PolarHBondContact O-N 2.62Å; N205-A207 WeakPolarHBondContact OD1-CB 3.27Å; N205-A207 PolarHBondContact OD1-N 3.26Å; N205-A208 CarbonylContact O-C 3.57Å; N205-A208 PolarHBondContact O-N 2.03Å
206P95.6Very high95.1Very high80 Ų8046.5 Ų46.552%0.51928%0.279SS..THydrogen-bonded Turntrans-56.8-28.8177.3-2937.7000115.4L118 P151 A208L118-P206 HydrophobicContact CD1-CB 3.82Å; P151-P206 HydrophobicContact CG-CG 4.28Å; P206-A208 VanDerWaalsContact C-N 3.32Å
207A94.5Very high95.3Very high14 Ų1446.6 Ų46.612%0.11627%0.269CS..THydrogen-bonded Turntrans-76.8-14.7173.800000114.3V34 L118 P120 N205V34-A207 HydrophobicContact CG1-CB 3.84Å; V34-A207 HydrophobicContact CG2-CB 4.39Å; L118-A207 HydrophobicContact CB-CB 3.83Å; P120-A207 HydrophobicContact CB-CB 3.94Å; N205-A207 PolarHBondContact O-N 2.62Å; N205-A207 WeakPolarHBondContact OD1-CB 3.27Å; N205-A207 PolarHBondContact OD1-N 3.26Å
208A93.7Very high95.4Very high21 Ų2143.1 Ų43.117%0.17426%0.256CS..EExtended strand (participates in β ladder)trans-139.268.6-177.300000109.9P120 N205 P206 A210 G211P120-A208 HydrophobicContact CB-CB 4.14Å; N205-A208 CarbonylContact O-C 3.57Å; N205-A208 PolarHBondContact O-N 2.03Å; P206-A208 VanDerWaalsContact C-N 3.32Å; A208-A210 PolarHBondContact O-N 3.16Å; A208-A210 VanDerWaalsContact O-N 3.15Å; A208-G211 WeakPolarHBondContact O-CA 3.39Å; A208-G211 PolarHBondContact O-N 3.07Å
209P90.8Very high95.4Very high117 Ų11742 Ų4276%0.7625%0.251SS*.EExtended strand (participates in β ladder)trans-66.9-17.3-167.725.5-35.5000115G211P209-G211 PolarHBondContact O-N 2.91Å
210A92.6Very high95.4Very high88 Ų8841.8 Ų41.873%0.72725%0.25SC*.EExtended strand (participates in β ladder)trans-67.9-22.3168.900000112.8A208A208-A210 PolarHBondContact O-N 3.16Å; A208-A210 VanDerWaalsContact O-N 3.15Å
211G92.3Very high95.3Very high19 Ų1942.3 Ų42.320%0.19625%0.25CS..EExtended strand (participates in β ladder)trans79176.1-169.200000113.5V203 A208 P209V203-G211 CarbonylContact O-C 3.6Å; V203-G211 WeakPolarHBondContact O-CA 3.23Å; A208-G211 WeakPolarHBondContact O-CA 3.39Å; A208-G211 PolarHBondContact O-N 3.07Å; P209-G211 PolarHBondContact O-N 2.91Å
212R94.9Very high95.2Very high81 Ų8144 Ų4431%0.30626%0.259SS..EExtended strand (participates in β ladder)trans-130.5159.1165-57.7-168.8-171.5-152.811.1108.4P121 D123 P124 V203P121-R212 PolarHBondContact O-NH2 3.38Å; D123-R212 WeakPolarHBondContact OD1-CD 3.36Å; D123-R212 IonicContact OD1-CZ 2.81Å; D123-R212 IonicContact OD1-NE 3.03Å; D123-R212 IonicContact OD1-NH1 2.74Å; D123-R212 PolarHBondContact OD1-NH1 2.87Å; D123-R212 IonicContact OD2-NH1 3.2Å; D123-R212 PolarHBondContact OD2-NH1 3.02Å; P124-R212 HydrophobicContact CG-CB 4.25Å; V203-R212 PolarHBondContact N-O 2.85Å; V203-R212 PolarHBondContact O-N 3.47Å
213Q95.6Very high95.1Very high122 Ų12242.9 Ų42.957%0.5726%0.261SS*.EExtended strand (participates in β ladder)trans-149.7156.2174.466-175.351.500112.2T200 C201 R202T200-Q213 HydrophobicContact CG2-CB 4.09Å; T200-Q213 HydrophobicContact CG2-CG 4.46Å; C201-Q213 CarbonylContact O-C 3.51Å; C201-Q213 WeakPolarHBondContact O-CA 3.39Å; C201-Q213 WeakPolarHBondContact O-CB 3.17Å; R202-Q213 HydrophobicContact CB-CB 4.35Å; R202-Q213 HydrophobicContact CG-CB 4.38Å
214T96.4Very high95.1Very high42 Ų4242.9 Ų42.926%0.25826%0.261SS..EExtended strand (participates in β ladder)trans-139.7153.9171.4-166.80000109.2P124 V126 T200 C201P124-T214 HydrophobicContact CB-CG2 3.96Å; P124-T214 HydrophobicContact CG-CG2 4.05Å; P124-T214 WeakPolarHBondContact O-CB 3.46Å; P124-T214 VanDerWaalsContact O-CG2 3.23Å; P124-T214 WeakPolarHBondContact O-CG2 3.31Å; V126-T214 HydrophobicContact CB-CG2 4.44Å; V126-T214 HydrophobicContact CG2-CG2 3.71Å; T200-T214 CarbonylContact C-O 3.57Å; T200-T214 WeakPolarHBondContact CA-O 3.3Å; C201-T214 HydrophobicContact CB-CG2 4.11Å; C201-T214 PolarHBondContact N-O 2.93Å; C201-T214 PolarHBondContact O-N 2.92Å
215S95.4Very high95Very high52 Ų5243 Ų4336%0.36427%0.27SS..EExtended strand (participates in β ladder)trans-133.2144.3-174-55.20000110.9Y199 T200Y199-S215 CarbonylContact O-C 3.55Å; Y199-S215 WeakPolarHBondContact O-CA 3.31Å; T200-S215 WeakPolarHBondContact CG2-OG 3.25Å; T200-S215 PolarHBondContact OG1-OG 2.82Å
216V96.6Very high95Very high2 Ų243.6 Ų43.61%0.01227%0.274CS..EExtended strand (participates in β ladder)trans-129.3143.9172.2-61.10000110.8V126 P130 V132 T198 Y199 I218V126-V216 HydrophobicContact CB-CG1 3.73Å; V126-V216 HydrophobicContact CG1-CB 4.41Å; V126-V216 HydrophobicContact CG1-CG1 3.67Å; V126-V216 HydrophobicContact CG1-CG2 3.82Å; P130-V216 WeakPolarHBondContact O-CA 3.32Å; V132-V216 HydrophobicContact CG2-CB 4.09Å; V132-V216 HydrophobicContact CG2-CG1 4.48Å; V132-V216 HydrophobicContact CG2-CG2 3.98Å; T198-V216 WeakPolarHBondContact CA-O 3.34Å; Y199-V216 PolarHBondContact N-O 2.89Å; Y199-V216 PolarHBondContact O-N 3.05Å; V216-I218 HydrophobicContact CG2-CD1 4.48Å
217T96.4Very high95.1Very high50 Ų5044 Ų4431%0.30728%0.275SS..EExtended strand (participates in β ladder)trans-97.6136.5173.4-53.30000109.3P130 V131 V132 R197 T198P130-T217 PolarHBondContact O-N 3.47Å; V131-T217 CarbonylContact C-O 3.55Å; V131-T217 WeakPolarHBondContact CA-O 3.25Å; V132-T217 PolarHBondContact N-O 3.18Å; R197-T217 WeakPolarHBondContact O-CA 3.32Å; T198-T217 PolarHBondContact OG1-OG1 3.45Å
218I95.9Very high95.2Very high2 Ų244.7 Ų44.71%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-87.5136.3175.8-50.4-54.9000109.7V132 L134 L142 G196 R197 Y199 V216 V220V132-I218 HydrophobicContact CB-CD1 3.97Å; V132-I218 HydrophobicContact CG2-CD1 4.34Å; L134-I218 HydrophobicContact CD1-CD1 4.5Å; L134-I218 HydrophobicContact CD1-CG2 3.83Å; L134-I218 HydrophobicContact CG-CG2 4.19Å; L142-I218 HydrophobicContact CD1-CD1 4.1Å; L142-I218 HydrophobicContact CD2-CD1 4.02Å; G196-I218 PolarHBondContact N-O 3.15Å; R197-I218 PolarHBondContact O-N 3.49Å; Y199-I218 HydrophobicContact CD2-CD1 4.05Å; Y199-I218 HydrophobicContact CD2-CG1 3.53Å; Y199-I218 HydrophobicContact CE2-CD1 4.42Å; Y199-I218 HydrophobicContact CE2-CG1 3.59Å; V216-I218 HydrophobicContact CG2-CD1 4.48Å; I218-V220 HydrophobicContact CG2-CG2 3.64Å
219S95.8Very high95.3Very high23 Ų2346 Ų4616%0.16129%0.285CS..EExtended strand (participates in β ladder)trans-116106.1168.8-177.70000108.2V132 R133 L134 N250V132-S219 PolarHBondContact O-N 3.08Å; R133-S219 WeakPolarHBondContact CA-O 3.42Å; L134-S219 PolarHBondContact N-O 2.94Å; S219-N250 PolarHBondContact OG-ND2 3.22Å
220V96.1Very high95.6Very high0 Ų041.5 Ų41.50%026%0.255CS..EExtended strand (participates in β ladder)trans-91.5121.2-175.7-174.90000109.9A136 P190 E191 D194 S195 I218 N250A136-V220 HydrophobicContact CB-CG1 3.77Å; P190-V220 HydrophobicContact CB-CG1 4.37Å; P190-V220 HydrophobicContact CB-CG2 3.88Å; E191-V220 WeakPolarHBondContact O-CG2 3.36Å; D194-V220 HydrophobicContact CB-CG2 4.01Å; S195-V220 PolarHBondContact OG-N 3.01Å; S195-V220 VanDerWaalsContact OG-N 3.07Å; I218-V220 HydrophobicContact CG2-CG2 3.64Å; V220-N250 PolarHBondContact O-ND2 2.9Å
221Q95.5Very high95.8Very high33 Ų3342.7 Ų42.715%0.15425%0.245CC..EExtended strand (participates in β ladder)trans-93.8132.6-176.7-63.7-173.5-9.800111.4L134 A136 N250 P251 V294L134-Q221 VanDerWaalsContact O-CB 3.32Å; L134-Q221 WeakPolarHBondContact O-CB 3.35Å; L134-Q221 PolarHBondContact O-N 2.97Å; A136-Q221 PolarHBondContact N-O 3.24Å; Q221-N250 CarbonylContact C-O 3.37Å; Q221-N250 WeakPolarHBondContact CA-O 3.49Å; Q221-N250 WeakPolarHBondContact CB-O 3.34Å; Q221-P251 HydrophobicContact CG-CG 4.31Å; Q221-V294 HydrophobicContact CB-CG2 3.91Å
222H93.9Very high95.9Very high37 Ų3745.2 Ų45.217%0.17126%0.258CS..EExtended strand (participates in β ladder)trans-143.1155.2-1776287.4000110.7D192 N250 N292D192-H222 WeakPolarHBondContact OD1-CB 3.41Å; D192-H222 IonicContact OD1-CD2 2.62Å; D192-H222 IonicContact OD1-CG 3.38Å; H222-N250 PolarHBondContact N-O 2.82Å; H222-N292 PolarHBondContact O-ND2 3.33Å
223P95.1Very high95.5Very high57 Ų5748 Ų4837%0.3728%0.275SS..EExtended strand (participates in β ladder)trans-64.7164.5169.630.4-36.3000111.1A225P223-A225 PolarHBondContact O-N 2.85Å
224P96.4Very high95.4Very high1 Ų145 Ų451%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-62.3124.5179.9-22.634.9000112.5V226 A247 S248 A249 V290 N292 T297P224-V226 HydrophobicContact CB-CG2 4.06Å; P224-V226 PolarHBondContact O-N 2.8Å; P224-A247 HydrophobicContact CB-CB 4.36Å; P224-S248 CarbonylContact C-O 3.46Å; P224-S248 WeakPolarHBondContact CA-O 3.4Å; P224-A249 HydrophobicContact CB-CB 4.02Å; P224-A249 HydrophobicContact CG-CB 3.98Å; P224-V290 HydrophobicContact CB-CB 4.02Å; P224-V290 HydrophobicContact CB-CG1 3.86Å; P224-V290 HydrophobicContact CG-CB 4.34Å; P224-V290 HydrophobicContact CG-CG1 4.04Å; P224-N292 HydrophobicContact CG-CB 4.21Å; P224-T297 WeakPolarHBondContact O-CB 3.4Å; P224-T297 PolarHBondContact O-OG1 2.9Å
225A94.9Very high95.4Very high55 Ų5543.7 Ų43.746%0.45526%0.257SS..EExtended strand (participates in β ladder)trans-83.6107.716700000108.3P223 A247 S248P223-A225 PolarHBondContact O-N 2.85Å; A225-A247 WeakPolarHBondContact O-CA 3.26Å; A225-S248 PolarHBondContact N-O 3Å; A225-S248 PolarHBondContact O-N 3.1Å
226V97.3Very high95.4Very high19 Ų1944.8 Ų44.812%0.11526%0.261CS..EExtended strand (participates in β ladder)trans-102.5140.7-167.9-176.50000111.8P224 C245 A247 V290 T297 V299P224-V226 HydrophobicContact CB-CG2 4.06Å; P224-V226 PolarHBondContact O-N 2.8Å; V226-C245 VanDerWaalsContact CG1-SG 3.59Å; V226-A247 HydrophobicContact CB-CB 4.43Å; V226-A247 HydrophobicContact CG2-CB 4Å; V226-V290 HydrophobicContact CB-CG2 4.37Å; V226-V290 HydrophobicContact CG1-CG2 3.84Å; V226-V290 HydrophobicContact CG2-CB 3.66Å; V226-V290 HydrophobicContact CG2-CG2 3.54Å; V226-T297 HydrophobicContact CB-CG2 4.15Å; V226-T297 HydrophobicContact CG2-CG2 3.81Å; V226-V299 HydrophobicContact CB-CG2 3.83Å; V226-V299 HydrophobicContact CG1-CB 4.2Å; V226-V299 HydrophobicContact CG1-CG2 3.96Å
227T97.1Very high95.3Very high88 Ų8848 Ų4854%0.5428%0.277SS..EExtended strand (participates in β ladder)trans-129.1125.9171.156.20000109.6C245 S246T227-C245 CarbonylContact O-C 3.58Å; T227-C245 WeakPolarHBondContact O-CA 3.48Å; T227-S246 PolarHBondContact N-O 2.78Å; T227-S246 PolarHBondContact O-N 2.75Å; T227-S246 PolarHBondContact OG1-O 3.08Å
228L97.3Very high95.2Very high29 Ų2948.3 Ų48.315%0.15229%0.289CS..EExtended strand (participates in β ladder)trans-111.4128.1179.5179.858.4000109.5F243 C245 W258 C288 V299 T301L228-F243 HydrophobicContact CD1-CB 4.31Å; L228-F243 HydrophobicContact CD1-CD1 4.29Å; L228-C245 HydrophobicContact CD1-CB 4.18Å; L228-W258 HydrophobicContact CD1-CH2 3.55Å; L228-W258 HydrophobicContact CD1-CZ3 3.67Å; L228-C288 HydrophobicContact CD1-CB 4.35Å; L228-V299 HydrophobicContact CB-CB 4.34Å; L228-V299 HydrophobicContact CB-CG1 3.85Å; L228-V299 WeakPolarHBondContact CD2-O 3.21Å; L228-T301 HydrophobicContact CD2-CG2 3.82Å; L228-T301 HydrophobicContact CG-CG2 4.01Å
229S95.9Very high95.2Very high50 Ų5049.4 Ų49.435%0.3530%0.298SS..EExtended strand (participates in β ladder)trans-130.4161.4177.566.30000111.2F243 I244S229-F243 WeakPolarHBondContact O-CA 3.24Å; S229-I244 PolarHBondContact N-O 2.82Å; S229-I244 PolarHBondContact O-N 2.92Å; S229-I244 PolarHBondContact OG-O 3.42Å
230V96.6Very high95.3Very high22 Ų2253.9 Ų53.913%0.13332%0.315CS..EExtended strand (participates in β ladder)trans-138.7127.1-17158.70000109.5V241 F243 V303V230-V241 HydrophobicContact CG2-CG1 3.29Å; V230-F243 HydrophobicContact CB-CD1 4.07Å; V230-F243 HydrophobicContact CB-CE1 4.12Å; V230-F243 HydrophobicContact CG2-CD1 4.09Å; V230-F243 HydrophobicContact CG2-CE1 3.85Å; V230-F243 HydrophobicContact CG2-CZ 4.22Å; V230-V303 HydrophobicContact CG2-CG2 4.22Å
231Q95.4Very high95.3Very high112 Ų11254 Ų5452%0.52332%0.315SS..EExtended strand (participates in β ladder)trans-137.7121.3-172-60.9-171.434.100111.6L242Q231-L242 PolarHBondContact N-O 3.35Å; Q231-L242 PolarHBondContact O-N 2.73Å
232P95.4Very high95.4Very high72 Ų7255.5 Ų55.547%0.46832%0.324SS..SBendcis-65.2155.4-8.7-12.728.5000111.7V235P232-V235 HydrophobicContact CB-CG1 3.7Å; P232-V235 HydrophobicContact CG-CG1 3.72Å
233Q86.3Confident95.5Very high141 Ų14153.7 Ų53.766%0.65932%0.316SS*.SBendtrans-69.9-41179.4-178.8177.5-600112.5D304Q233-D304 PolarHBondContact O-N 2.95Å
234T94.6Very high95.6Very high59 Ų5953.3 Ų53.336%0.36231%0.31SS..EExtended strand (participates in β ladder)trans-118127.6-179.2-56.90000109.2D304 Q306T234-D304 WeakPolarHBondContact CA-O 3.38Å; T234-D304 WeakPolarHBondContact CB-OD2 3.47Å; T234-D304 HydrophobicContact CG2-CB 4.4Å; T234-D304 WeakPolarHBondContact CG2-OD2 3.39Å; T234-D304 PolarHBondContact OG1-OD2 2.84Å; T234-Q306 HydrophobicContact CG2-CG 4.09Å
235V95.9Very high95.6Very high14 Ų1453.3 Ų53.39%0.08531%0.31CS..EExtended strand (participates in β ladder)trans-148.4161.6-177-660000111.6P232 A239 V241 V277 V303 D304 V305 Q306P232-V235 HydrophobicContact CB-CG1 3.7Å; P232-V235 HydrophobicContact CG-CG1 3.72Å; V235-A239 HydrophobicContact CB-CB 3.81Å; V235-A239 HydrophobicContact CG1-CB 4.35Å; V235-A239 HydrophobicContact CG2-CB 4.24Å; V235-V241 HydrophobicContact CB-CG2 4.37Å; V235-V241 HydrophobicContact CG1-CG2 3.99Å; V235-V241 HydrophobicContact CG2-CG2 3.57Å; V235-V277 HydrophobicContact CG2-CG2 3.53Å; V235-V303 HydrophobicContact CG2-CG1 4.09Å; V235-D304 PolarHBondContact N-O 2.88Å; V235-D304 VanDerWaalsContact N-O 3.07Å; V235-V305 CarbonylContact O-C 3.59Å; V235-V305 WeakPolarHBondContact O-CA 3.34Å; V235-Q306 PolarHBondContact O-N 3.3Å
236T95.1Very high95.7Very high74 Ų7454.1 Ų54.145%0.45431%0.313SS..EExtended strand (participates in β ladder)trans-79.4153.117053.40000112.1G238 A239 Q306T236-G238 PolarHBondContact O-N 2.86Å; T236-A239 WeakPolarHBondContact O-CB 3.37Å; T236-A239 PolarHBondContact O-N 3.42Å; T236-Q306 HydrophobicContact CG2-CB 4.43Å
237E94.8Very high95.7Very high71 Ų7154.3 Ų54.333%0.33232%0.316SS..THydrogen-bonded Turntrans-51.2134.4166.7177157.9-131.900111.3Y279 V305 Q306 F307 R310E237-Y279 WeakPolarHBondContact OE1-CB 3.31Å; E237-Y279 PolarHBondContact OE1-N 2.85Å; E237-V305 HydrophobicContact CB-CG1 4Å; E237-Q306 PolarHBondContact N-O 2.66Å; E237-F307 HydrophobicContact CB-CB 4.38Å; E237-R310 IonicContact OE1-CZ 3.72Å; E237-R310 IonicContact OE1-NH2 2.72Å; E237-R310 PolarHBondContact OE1-NH2 3.18Å; E237-R310 IonicContact OE2-CZ 3.66Å; E237-R310 IonicContact OE2-NE 2.98Å; E237-R310 IonicContact OE2-NH2 3.76Å; E237-R310 PolarHBondContact OE2-NH2 2.86Å
238G94.5Very high95.5Very high55 Ų5553.6 Ų53.657%0.56732%0.315SS*.THydrogen-bonded Turntrans87.4-5-172.900000115.4T236 T276 V277T236-G238 PolarHBondContact O-N 2.86Å; G238-T276 WeakPolarHBondContact O-CG2 3.42Å; G238-V277 PolarHBondContact N-O 2.83Å
239A95.9Very high95.4Very high25 Ų2553.6 Ų53.621%0.20732%0.319CS..  trans-77.4160.8174.600000112.9V235 T236 T276 V277V235-A239 HydrophobicContact CB-CB 3.81Å; V235-A239 HydrophobicContact CG1-CB 4.35Å; V235-A239 HydrophobicContact CG2-CB 4.24Å; T236-A239 WeakPolarHBondContact O-CB 3.37Å; T236-A239 PolarHBondContact O-N 3.42Å; A239-T276 CarbonylContact O-C 3.54Å; A239-T276 WeakPolarHBondContact O-CA 3.23Å; A239-V277 PolarHBondContact O-N 2.84Å
240K96.2Very high95.3Very high117 Ų11753 Ų5351%0.50931%0.312SS..EExtended strand (participates in β ladder)trans-88.8145.2169-78.1-174.5158.2-150.70111.9E274 V275K240-E274 WeakPolarHBondContact CD-OE1 3.49Å; K240-E274 IonicContact NZ-OE1 2.75Å; K240-E274 PolarHBondContact NZ-OE1 2.85Å; K240-E274 IonicContact NZ-OE2 2.7Å; K240-E274 PolarHBondContact NZ-OE2 2.89Å; K240-V275 CarbonylContact C-O 3.57Å; K240-V275 WeakPolarHBondContact CA-O 3.4Å
241V96.8Very high95.2Very high2 Ų253.5 Ų53.51%0.01232%0.315CS..EExtended strand (participates in β ladder)trans-140.5138178.8-174.40000109.6V230 V235 E274 V275 V277 V303V230-V241 HydrophobicContact CG2-CG1 3.29Å; V235-V241 HydrophobicContact CB-CG2 4.37Å; V235-V241 HydrophobicContact CG1-CG2 3.99Å; V235-V241 HydrophobicContact CG2-CG2 3.57Å; V241-E274 WeakPolarHBondContact O-CA 3.36Å; V241-V275 PolarHBondContact N-O 2.88Å; V241-V275 PolarHBondContact O-N 2.67Å; V241-V277 HydrophobicContact CB-CG1 4.01Å; V241-V277 HydrophobicContact CG2-CB 4.42Å; V241-V277 HydrophobicContact CG2-CG1 3.64Å; V241-V277 HydrophobicContact CG2-CG2 3.88Å; V241-V303 HydrophobicContact CG2-CG1 4.35Å
242L96.9Very high95.1Very high65 Ų6556.3 Ų56.334%0.3433%0.329SS..EExtended strand (participates in β ladder)trans-102.8120.3172.6-178.965.3000109.9Q231 I244 E274Q231-L242 PolarHBondContact N-O 3.35Å; Q231-L242 PolarHBondContact O-N 2.73Å; L242-I244 HydrophobicContact CD2-CD1 4.03Å; L242-I244 HydrophobicContact CD2-CG1 4.03Å; L242-I244 HydrophobicContact CG-CD1 4.46Å; L242-I244 HydrophobicContact CG-CG1 3.95Å; L242-E274 HydrophobicContact CD1-CB 4.26Å
243F97.1Very high95.2Very high0 Ų055.4 Ų55.40%032%0.319CS..EExtended strand (participates in β ladder)trans-87.1140.2163.2-65.4-92.7000110.1L228 S229 V230 W258 S272 L273 V275 Y281 V286 T301 V303L228-F243 HydrophobicContact CD1-CB 4.31Å; L228-F243 HydrophobicContact CD1-CD1 4.29Å; S229-F243 WeakPolarHBondContact O-CA 3.24Å; V230-F243 HydrophobicContact CB-CD1 4.07Å; V230-F243 HydrophobicContact CB-CE1 4.12Å; V230-F243 HydrophobicContact CG2-CD1 4.09Å; V230-F243 HydrophobicContact CG2-CE1 3.85Å; V230-F243 HydrophobicContact CG2-CZ 4.22Å; F243-W258 HydrophobicContact CB-CH2 3.49Å; F243-W258 VanDerWaalsContact CB-CH2 3.49Å; F243-W258 HydrophobicContact CB-CZ3 3.57Å; F243-W258 HydrophobicContact CD1-CZ3 4.48Å; F243-W258 HydrophobicContact CG-CH2 4.49Å; F243-W258 HydrophobicContact CG-CZ3 4.11Å; F243-S272 VanDerWaalsContact O-CA 3.3Å; F243-S272 WeakPolarHBondContact O-CA 3.42Å; F243-L273 HydrophobicContact CB-CB 4.31Å; F243-L273 HydrophobicContact CD2-CG 4.48Å; F243-L273 PolarHBondContact N-O 2.92Å; F243-L273 PolarHBondContact O-N 2.78Å; F243-V275 HydrophobicContact CD2-CG2 4.13Å; F243-V275 HydrophobicContact CE2-CG2 3.69Å; F243-Y281 HydrophobicContact CZ-CD1 4.5Å; F243-V286 HydrophobicContact CD1-CB 4.37Å; F243-V286 HydrophobicContact CD1-CG1 4.14Å; F243-V286 HydrophobicContact CD2-CG1 4.29Å; F243-V286 HydrophobicContact CE1-CB 3.73Å; F243-V286 HydrophobicContact CE1-CG1 3.98Å; F243-V286 HydrophobicContact CE1-CG2 4.15Å; F243-V286 HydrophobicContact CE2-CB 4.25Å; F243-V286 HydrophobicContact CE2-CG1 4.14Å; F243-V286 HydrophobicContact CE2-CG2 3.96Å; F243-V286 HydrophobicContact CG-CG1 4.28Å; F243-V286 HydrophobicContact CZ-CB 3.65Å; F243-V286 HydrophobicContact CZ-CG1 3.97Å; F243-V286 HydrophobicContact CZ-CG2 3.53Å; F243-T301 HydrophobicContact CD1-CG2 4.22Å; F243-T301 HydrophobicContact CE1-CG2 3.84Å; F243-V303 HydrophobicContact CE1-CG2 4.08Å; F243-V303 HydrophobicContact CE2-CG2 4.31Å; F243-V303 HydrophobicContact CZ-CG2 3.43Å; F243-V303 VanDerWaalsContact CZ-CG2 3.43Å
244I97.3Very high95.6Very high49 Ų4953.3 Ų53.325%0.25132%0.317SS..EExtended strand (participates in β ladder)trans-129.4119.1176.5-51.6177.6000108.4S229 L242S229-I244 PolarHBondContact N-O 2.82Å; S229-I244 PolarHBondContact O-N 2.92Å; S229-I244 PolarHBondContact OG-O 3.42Å; L242-I244 HydrophobicContact CD2-CD1 4.03Å; L242-I244 HydrophobicContact CD2-CG1 4.03Å; L242-I244 HydrophobicContact CG-CD1 4.46Å; L242-I244 HydrophobicContact CG-CG1 3.95Å
245C97.3Very high95.6Very high0 Ų051.7 Ų51.70%031%0.312CS..EExtended strand (participates in β ladder)trans-108.787-178.1-174.40000109.5V226 T227 L228 Y256 W258 D271 C288 V290V226-C245 VanDerWaalsContact CG1-SG 3.59Å; T227-C245 CarbonylContact O-C 3.58Å; T227-C245 WeakPolarHBondContact O-CA 3.48Å; L228-C245 HydrophobicContact CD1-CB 4.18Å; C245-Y256 HydrophobicContact CB-CD1 4.48Å; C245-Y256 WeakPolarHBondContact O-CE1 3.24Å; C245-W258 HydrophobicContact CB-CH2 3.67Å; C245-W258 HydrophobicContact CB-CZ2 3.53Å; C245-D271 WeakPolarHBondContact CA-O 3.47Å; C245-D271 WeakPolarHBondContact CB-O 3.4Å; C245-D271 PolarHBondContact N-O 3.26Å; C245-C288 HydrophobicContact CB-CB 3.77Å; C245-C288 WeakPolarHBondContact CB-SG 3.41Å; C245-C288 WeakPolarHBondContact SG-CB 3.43Å; C245-C288 CovalentContact SG-SG 2.04Å; C245-C288 PolarHBondContact SG-SG 2.83Å; C245-V290 VanDerWaalsContact SG-CG2 3.54Å
246S96.4Very high95.6Very high73 Ų7353 Ų5351%0.5132%0.315SS..EExtended strand (participates in β ladder)trans-87.7132.6179175.80000110.2T227T227-S246 PolarHBondContact N-O 2.78Å; T227-S246 PolarHBondContact O-N 2.75Å; T227-S246 PolarHBondContact OG1-O 3.08Å
247A96.2Very high95.6Very high23 Ų2356.3 Ų56.319%0.1932%0.319CS..EExtended strand (participates in β ladder)trans-142.5146.3-179.200000113.3P224 A225 V226 I253 V290P224-A247 HydrophobicContact CB-CB 4.36Å; A225-A247 WeakPolarHBondContact O-CA 3.26Å; V226-A247 HydrophobicContact CB-CB 4.43Å; V226-A247 HydrophobicContact CG2-CB 4Å; A247-I253 HydrophobicContact CB-CD1 3.97Å; A247-V290 HydrophobicContact CB-CB 4.44Å; A247-V290 HydrophobicContact CB-CG1 4.05Å; A247-V290 HydrophobicContact CB-CG2 4.21Å
248S94.3Very high95.7Very high73 Ų7353.1 Ų53.151%0.5130%0.304SS..EExtended strand (participates in β ladder)trans-111.8133.8170.358.90000110.7P224 A225P224-S248 CarbonylContact C-O 3.46Å; P224-S248 WeakPolarHBondContact CA-O 3.4Å; A225-S248 PolarHBondContact N-O 3Å; A225-S248 PolarHBondContact O-N 3.1Å
249A94.6Very high95.9Very high29 Ų2951.4 Ų51.424%0.2428%0.284CS..EExtended strand (participates in β ladder)trans-149.8147.4-17300000111.6P224 P251 I253P224-A249 HydrophobicContact CB-CB 4.02Å; P224-A249 HydrophobicContact CG-CB 3.98Å; A249-P251 CarbonylContact C-O 3.57Å; A249-P251 WeakPolarHBondContact CB-O 3.44Å; A249-I253 HydrophobicContact CB-CG1 3.83Å
250N94.3Very high95.8Very high37 Ų3751.8 Ų51.820%0.19828%0.281CS..EExtended strand (participates in β ladder)trans-137.3119.1165.3-178.520.2000109.9S219 V220 Q221 H222S219-N250 PolarHBondContact OG-ND2 3.22Å; V220-N250 PolarHBondContact O-ND2 2.9Å; Q221-N250 CarbonylContact C-O 3.37Å; Q221-N250 WeakPolarHBondContact CA-O 3.49Å; Q221-N250 WeakPolarHBondContact CB-O 3.34Å; H222-N250 PolarHBondContact N-O 2.82Å
251P93.4Very high95.7Very high32 Ų3248.4 Ų48.421%0.20828%0.279CS..SBendcis-66.1178.4-2.4-22.838.3000114Q221 A249 N292 S293Q221-P251 HydrophobicContact CG-CG 4.31Å; A249-P251 CarbonylContact C-O 3.57Å; A249-P251 WeakPolarHBondContact CB-O 3.44Å; P251-N292 WeakPolarHBondContact O-CB 3.25Å; P251-N292 PolarHBondContact O-ND2 2.95Å; P251-S293 WeakPolarHBondContact CG-OG 3.43Å
252E94.9Very high95.5Very high172 Ų17251.4 Ų51.480%0.80431%0.311SS*.  trans-51.6153.4179.9-63.7173.6-176.200113.5T254 N292E252-T254 PolarHBondContact O-N 2.79Å; E252-N292 WeakPolarHBondContact O-CB 3.31Å
253I96.5Very high95.4Very high52 Ų5253.2 Ų53.227%0.26732%0.324SS..  trans-67.3126.6-176.7-65.4169.4000110A247 A249 Y256 V290 S291A247-I253 HydrophobicContact CB-CD1 3.97Å; A249-I253 HydrophobicContact CB-CG1 3.83Å; I253-Y256 WeakPolarHBondContact CD1-OH 3.42Å; I253-Y256 HydrophobicContact CG2-CD2 4.28Å; I253-Y256 HydrophobicContact CG2-CE2 3.85Å; I253-V290 HydrophobicContact CB-CG1 4.44Å; I253-V290 HydrophobicContact CD1-CG1 3.92Å; I253-V290 HydrophobicContact CG1-CG1 4.02Å; I253-V290 HydrophobicContact CG2-CG1 3.59Å; I253-S291 CarbonylContact C-O 3.52Å; I253-S291 WeakPolarHBondContact CA-O 3.23Å
254T95.4Very high95.3Very high98 Ų9857.3 Ų57.360%0.60135%0.351SS*.  trans-89.9-14.4179.550.10000113.8E252 S291 N292E252-T254 PolarHBondContact O-N 2.79Å; T254-S291 PolarHBondContact N-O 2.91Å; T254-S291 VanDerWaalsContact OG1-C 3.3Å; T254-S291 PolarHBondContact OG1-O 3.36Å; T254-S291 PolarHBondContact OG1-OG 3.18Å; T254-N292 WeakPolarHBondContact OG1-CA 3.44Å; T254-N292 PolarHBondContact OG1-N 3.39Å
255G93.2Very high95.2Very high25 Ų2557.4 Ų57.426%0.25835%0.351SS..EExtended strand (participates in β ladder)trans163.4156.817400000114.3S291G255-S291 PolarHBondContact N-OG 2.84Å; G255-S291 PolarHBondContact O-N 3.06Å; G255-S291 PolarHBondContact O-OG 2.94Å
256Y96.2Very high94.6Very high42 Ų4262.2 Ų62.217%0.16539%0.385CS..EExtended strand (participates in β ladder)trans-105.6148.6173.4-62.7-98.2000110.1C245 I253 G270 D271 E289 V290C245-Y256 HydrophobicContact CB-CD1 4.48Å; C245-Y256 WeakPolarHBondContact O-CE1 3.24Å; I253-Y256 WeakPolarHBondContact CD1-OH 3.42Å; I253-Y256 HydrophobicContact CG2-CD2 4.28Å; I253-Y256 HydrophobicContact CG2-CE2 3.85Å; Y256-G270 WeakPolarHBondContact CB-O 3.3Å; Y256-D271 HydrophobicContact CE1-CB 4.01Å; Y256-D271 HydrophobicContact CE2-CB 4.08Å; Y256-E289 CarbonylContact C-O 3.34Å; Y256-E289 WeakPolarHBondContact CA-O 3.44Å; Y256-V290 HydrophobicContact CD1-CB 4.42Å; Y256-V290 HydrophobicContact CD1-CG1 4.17Å; Y256-V290 HydrophobicContact CD1-CG2 3.63Å; Y256-V290 HydrophobicContact CE1-CB 4.49Å; Y256-V290 HydrophobicContact CE1-CG1 3.94Å; Y256-V290 HydrophobicContact CE1-CG2 3.72Å
257R96.1Very high94Very high142 Ų14267.4 Ų67.454%0.53640%0.401SS..EExtended strand (participates in β ladder)trans-139.3120174.8-59176.669.1-155.77.4109.8E289R257-E289 HydrophobicContact CB-CB 4.31Å; R257-E289 IonicContact CZ-OE2 3.17Å; R257-E289 PolarHBondContact N-O 2.86Å; R257-E289 IonicContact NE-OE2 2.62Å; R257-E289 IonicContact NH1-OE2 3.47Å; R257-E289 PolarHBondContact NH1-OE2 3.08Å; R257-E289 PolarHBondContact O-N 2.89Å
258W97.5Very high93.6Very high4 Ų467 Ų672%0.01540%0.397CS..EExtended strand (participates in β ladder)trans-95150.4178.2-67.885.4000112L228 F243 C245 P264 I265 A268 G270 L273 V286 S287 C288L228-W258 HydrophobicContact CD1-CH2 3.55Å; L228-W258 HydrophobicContact CD1-CZ3 3.67Å; F243-W258 HydrophobicContact CB-CH2 3.49Å; F243-W258 VanDerWaalsContact CB-CH2 3.49Å; F243-W258 HydrophobicContact CB-CZ3 3.57Å; F243-W258 HydrophobicContact CD1-CZ3 4.48Å; F243-W258 HydrophobicContact CG-CH2 4.49Å; F243-W258 HydrophobicContact CG-CZ3 4.11Å; C245-W258 HydrophobicContact CB-CH2 3.67Å; C245-W258 HydrophobicContact CB-CZ2 3.53Å; W258-P264 WeakPolarHBondContact O-CA 3.35Å; W258-I265 HydrophobicContact CB-CB 4.21Å; W258-I265 HydrophobicContact CB-CD1 4.36Å; W258-I265 PolarHBondContact O-N 3.07Å; W258-A268 HydrophobicContact CB-CB 3.95Å; W258-A268 HydrophobicContact CG-CB 3.96Å; W258-G270 PolarHBondContact NE1-O 3.41Å; W258-L273 HydrophobicContact CB-CD2 4.08Å; W258-L273 HydrophobicContact CD2-CB 3.88Å; W258-L273 HydrophobicContact CD2-CD2 3.75Å; W258-L273 HydrophobicContact CD2-CG 4.46Å; W258-L273 HydrophobicContact CE3-CB 4.08Å; W258-L273 HydrophobicContact CE3-CD2 3.57Å; W258-L273 HydrophobicContact CE3-CG 4.47Å; W258-L273 HydrophobicContact CG-CB 4.42Å; W258-L273 HydrophobicContact CG-CD2 3.99Å; W258-L273 HydrophobicContact CH2-CB 4.21Å; W258-L273 HydrophobicContact CZ2-CB 4.03Å; W258-L273 HydrophobicContact CZ3-CB 4.23Å; W258-L273 HydrophobicContact CZ3-CD2 4.24Å; W258-V286 HydrophobicContact CE3-CG1 3.78Å; W258-V286 HydrophobicContact CZ3-CG1 3.92Å; W258-S287 CarbonylContact C-O 3.57Å; W258-S287 WeakPolarHBondContact CA-O 3.39Å; W258-C288 HydrophobicContact CD2-CB 4.32Å; W258-C288 HydrophobicContact CE3-CB 4.06Å; W258-C288 HydrophobicContact CH2-CB 4.07Å; W258-C288 HydrophobicContact CZ2-CB 4.3Å; W258-C288 HydrophobicContact CZ3-CB 3.94Å
259S96.7Very high93.2Very high20 Ų2068.3 Ų68.314%0.1440%0.399CS..EExtended strand (participates in β ladder)trans-150.2155.6173.157.90000111.6V263 V286 S287S259-V263 CarbonylContact C-O 3.56Å; S259-V263 WeakPolarHBondContact CA-O 3.4Å; S259-V263 WeakPolarHBondContact CB-O 3.27Å; S259-V286 CarbonylContact O-C 3.5Å; S259-V286 WeakPolarHBondContact O-CA 3.11Å; S259-S287 PolarHBondContact N-O 2.88Å; S259-S287 PolarHBondContact O-N 3.05Å; S259-S287 PolarHBondContact OG-O 2.04Å
260K95.8Very high93.1Very high33 Ų3368.5 Ų68.514%0.14340%0.403CS..EExtended strand (participates in β ladder)trans-128.6127.4172.5178.3-178.2173.4-179.80109.1G262 V263 I265 D278 S280 Y281 D284 P285 V286K260-G262 PolarHBondContact O-N 2.74Å; K260-G262 VanDerWaalsContact O-N 3.08Å; K260-V263 PolarHBondContact N-O 2.83Å; K260-V263 WeakPolarHBondContact O-CB 3.38Å; K260-V263 PolarHBondContact O-N 3.24Å; K260-I265 HydrophobicContact CB-CD1 4.28Å; K260-D278 IonicContact NZ-OD1 2.89Å; K260-S280 PolarHBondContact NZ-OG 2.81Å; K260-Y281 HydrophobicContact CD-CD1 4.13Å; K260-Y281 HydrophobicContact CD-CE1 3.75Å; K260-Y281 HydrophobicContact CD-CE2 4.4Å; K260-D284 HydrophobicContact CG-CB 4.25Å; K260-P285 WeakPolarHBondContact CA-O 3.4Å; K260-V286 HydrophobicContact CB-CG2 4.38Å; K260-V286 HydrophobicContact CG-CG2 4.28Å
261G93.8Very high93.1Very high46 Ų4670.5 Ų70.547%0.47441%0.414SS..THydrogen-bonded Turntrans5823.1-177.700000114.1P285G261-P285 PolarHBondContact N-O 2.54Å
262G92.3Very high93.2Very high65 Ų6571.6 Ų71.667%0.6742%0.422SS*.THydrogen-bonded Turntrans85.8-6.5-172.800000115.7K260K260-G262 PolarHBondContact O-N 2.74Å; K260-G262 VanDerWaalsContact O-N 3.08Å
263V94.9Very high93.3Very high102 Ų10264.2 Ų64.262%0.61839%0.388SS*.EExtended strand (participates in β ladder)trans-86125.4175.4-175.80000109.8S259 K260S259-V263 CarbonylContact C-O 3.56Å; S259-V263 WeakPolarHBondContact CA-O 3.4Å; S259-V263 WeakPolarHBondContact CB-O 3.27Å; K260-V263 PolarHBondContact N-O 2.83Å; K260-V263 WeakPolarHBondContact O-CB 3.38Å; K260-V263 PolarHBondContact O-N 3.24Å
264P94.6Very high93.3Very high87 Ų8767.2 Ų67.257%0.56540%0.401SS*.EExtended strand (participates in β ladder)trans-73140.9-177.829.7-35.1000112.7W258W258-P264 WeakPolarHBondContact O-CA 3.35Å
265I94.5Very high93.2Very high51 Ų5163.6 Ų63.626%0.26238%0.379SS..EExtended strand (participates in β ladder)trans-99.889.1177.5-56.8171.1000107.6W258 K260 E267 A268 L273W258-I265 HydrophobicContact CB-CB 4.21Å; W258-I265 HydrophobicContact CB-CD1 4.36Å; W258-I265 PolarHBondContact O-N 3.07Å; K260-I265 HydrophobicContact CB-CD1 4.28Å; I265-E267 PolarHBondContact O-N 3.3Å; I265-E267 VanDerWaalsContact O-N 3.15Å; I265-A268 HydrophobicContact CB-CB 4.39Å; I265-A268 HydrophobicContact CG2-CB 3.84Å; I265-A268 PolarHBondContact O-N 3.04Å; I265-A268 VanDerWaalsContact O-N 3.12Å; I265-L273 HydrophobicContact CD1-CD2 3.9Å
266S84.8Confident93.4Very high101 Ų10166.3 Ų66.371%0.70639%0.391SS*.THydrogen-bonded Turntrans-63.3-21.9-169.248.40000115.5N269S266-N269 PolarHBondContact O-ND2 3Å
267E84Confident93.4Very high182 Ų18264.4 Ų64.485%0.8538%0.383SS*.THydrogen-bonded Turntrans-81-21.2179.6-61.3-178.5178.300112.2I265 N269I265-E267 PolarHBondContact O-N 3.3Å; I265-E267 VanDerWaalsContact O-N 3.15Å; E267-N269 PolarHBondContact O-ND2 3.44Å
268A87.3Confident93.3Very high13 Ų1361 Ų6111%0.10738%0.376CS..  trans-98.7104.7-177.100000111.3W258 I265 L273W258-A268 HydrophobicContact CB-CB 3.95Å; W258-A268 HydrophobicContact CG-CB 3.96Å; I265-A268 HydrophobicContact CB-CB 4.39Å; I265-A268 HydrophobicContact CG2-CB 3.84Å; I265-A268 PolarHBondContact O-N 3.04Å; I265-A268 VanDerWaalsContact O-N 3.12Å; A268-L273 HydrophobicContact CB-CD1 3.93Å
269N85.8Confident93.1Very high102 Ų10263.4 Ų63.455%0.54539%0.385SS..  trans-127.78-177.1-59-90000113.1S266 E267S266-N269 PolarHBondContact O-ND2 3Å; E267-N269 PolarHBondContact O-ND2 3.44Å
270G93.1Very high93Very high33 Ų3363.9 Ų63.934%0.3439%0.389SS..SBendtrans-98.6-178.6176.800000113.3Y256 W258 S272Y256-G270 WeakPolarHBondContact CB-O 3.3Å; W258-G270 PolarHBondContact NE1-O 3.41Å; G270-S272 PolarHBondContact O-N 3.02Å
271D95.1Very high93Very high79 Ų7963.6 Ų63.642%0.42239%0.387SS..SBendtrans-69.3-8.4175.567.3-15.1000114.1C245 Y256C245-D271 WeakPolarHBondContact CA-O 3.47Å; C245-D271 WeakPolarHBondContact CB-O 3.4Å; C245-D271 PolarHBondContact N-O 3.26Å; Y256-D271 HydrophobicContact CE1-CB 4.01Å; Y256-D271 HydrophobicContact CE2-CB 4.08Å
272S95.8Very high93Very high54 Ų5464.7 Ų64.738%0.37838%0.379SS..EExtended strand (participates in β ladder)trans-143.5152.1-168.8460000112F243 G270F243-S272 VanDerWaalsContact O-CA 3.3Å; F243-S272 WeakPolarHBondContact O-CA 3.42Å; G270-S272 PolarHBondContact O-N 3.02Å
273L96.2Very high93.1Very high18 Ų1864.6 Ų64.69%0.09437%0.365CS..EExtended strand (participates in β ladder)trans-146110.1-176.5168.859.8000109.8F243 W258 I265 A268 V275 V286F243-L273 HydrophobicContact CB-CB 4.31Å; F243-L273 HydrophobicContact CD2-CG 4.48Å; F243-L273 PolarHBondContact N-O 2.92Å; F243-L273 PolarHBondContact O-N 2.78Å; W258-L273 HydrophobicContact CB-CD2 4.08Å; W258-L273 HydrophobicContact CD2-CB 3.88Å; W258-L273 HydrophobicContact CD2-CD2 3.75Å; W258-L273 HydrophobicContact CD2-CG 4.46Å; W258-L273 HydrophobicContact CE3-CB 4.08Å; W258-L273 HydrophobicContact CE3-CD2 3.57Å; W258-L273 HydrophobicContact CE3-CG 4.47Å; W258-L273 HydrophobicContact CG-CB 4.42Å; W258-L273 HydrophobicContact CG-CD2 3.99Å; W258-L273 HydrophobicContact CH2-CB 4.21Å; W258-L273 HydrophobicContact CZ2-CB 4.03Å; W258-L273 HydrophobicContact CZ3-CB 4.23Å; W258-L273 HydrophobicContact CZ3-CD2 4.24Å; I265-L273 HydrophobicContact CD1-CD2 3.9Å; A268-L273 HydrophobicContact CB-CD1 3.93Å; L273-V275 HydrophobicContact CD1-CG1 3.73Å; L273-V275 HydrophobicContact CD2-CG1 4.36Å; L273-V275 HydrophobicContact CG-CG1 3.93Å; L273-V286 HydrophobicContact CD2-CG1 4.25Å
274E95.6Very high93.1Very high115 Ų11562.8 Ų62.854%0.53735%0.352SS..EExtended strand (participates in β ladder)trans-88.3130.8168.2-166.5-162.8-133.500109.7K240 V241 L242K240-E274 WeakPolarHBondContact CD-OE1 3.49Å; K240-E274 IonicContact NZ-OE1 2.75Å; K240-E274 PolarHBondContact NZ-OE1 2.85Å; K240-E274 IonicContact NZ-OE2 2.7Å; K240-E274 PolarHBondContact NZ-OE2 2.89Å; V241-E274 WeakPolarHBondContact O-CA 3.36Å; L242-E274 HydrophobicContact CD1-CB 4.26Å
275V94.9Very high93.2Very high22 Ų2260.9 Ų60.913%0.13334%0.34CS..EExtended strand (participates in β ladder)trans-139151.9174.1-69.70000111.5K240 V241 F243 L273 V277 Y281K240-V275 CarbonylContact C-O 3.57Å; K240-V275 WeakPolarHBondContact CA-O 3.4Å; V241-V275 PolarHBondContact N-O 2.88Å; V241-V275 PolarHBondContact O-N 2.67Å; F243-V275 HydrophobicContact CD2-CG2 4.13Å; F243-V275 HydrophobicContact CE2-CG2 3.69Å; L273-V275 HydrophobicContact CD1-CG1 3.73Å; L273-V275 HydrophobicContact CD2-CG1 4.36Å; L273-V275 HydrophobicContact CG-CG1 3.93Å; V275-V277 HydrophobicContact CG2-CG1 4.06Å; V275-Y281 HydrophobicContact CG2-CE1 3.84Å
276T96.1Very high93.3Very high82 Ų8258.6 Ų58.650%0.50333%0.328SS..EExtended strand (participates in β ladder)trans-82.8128.5160.6-52.80000108.4G238 A239G238-T276 WeakPolarHBondContact O-CG2 3.42Å; A239-T276 CarbonylContact O-C 3.54Å; A239-T276 WeakPolarHBondContact O-CA 3.23Å
277V96.1Very high93.9Very high2 Ų254.3 Ų54.31%0.01230%0.298CS..  trans-96.7136.7-175.5-60.40000113.2V235 G238 A239 V241 V275 Y281 V303 V305V235-V277 HydrophobicContact CG2-CG2 3.53Å; G238-V277 PolarHBondContact N-O 2.83Å; A239-V277 PolarHBondContact O-N 2.84Å; V241-V277 HydrophobicContact CB-CG1 4.01Å; V241-V277 HydrophobicContact CG2-CB 4.42Å; V241-V277 HydrophobicContact CG2-CG1 3.64Å; V241-V277 HydrophobicContact CG2-CG2 3.88Å; V275-V277 HydrophobicContact CG2-CG1 4.06Å; V277-Y281 HydrophobicContact CB-CD2 3.77Å; V277-Y281 HydrophobicContact CB-CE2 4.25Å; V277-Y281 HydrophobicContact CB-CG 4.03Å; V277-Y281 HydrophobicContact CG1-CD1 4.12Å; V277-Y281 HydrophobicContact CG1-CD2 3.93Å; V277-Y281 HydrophobicContact CG1-CE1 4.42Å; V277-Y281 HydrophobicContact CG1-CE2 4.22Å; V277-Y281 HydrophobicContact CG1-CG 3.85Å; V277-V303 HydrophobicContact CG1-CG1 4.48Å; V277-V303 HydrophobicContact CG1-CG2 4.39Å; V277-V305 HydrophobicContact CB-CG2 4.21Å; V277-V305 HydrophobicContact CG2-CG1 4.31Å; V277-V305 HydrophobicContact CG2-CG2 4.04Å
278D94.7Very high94.5Very high69 Ų6945.7 Ų45.737%0.36926%0.258SS..  trans-109.8176.3166.862.432.6000110.8K260 S280 Y281K260-D278 IonicContact NZ-OD1 2.89Å; D278-S280 PolarHBondContact O-N 2.89Å; D278-S280 VanDerWaalsContact O-N 3.07Å; D278-S280 WeakPolarHBondContact OD1-CA 3.25Å; D278-S280 WeakPolarHBondContact OD1-CB 3.17Å; D278-S280 PolarHBondContact OD1-N 2.9Å; D278-S280 PolarHBondContact OD1-OG 3.34Å; D278-Y281 PolarHBondContact O-N 3.43Å; D278-Y281 WeakPolarHBondContact OD1-CD2 3.42Å
279Y93.2Very high95Very high55 Ų5547.2 Ų47.222%0.21626%0.263CS..THydrogen-bonded Turntrans-47.6-31.7172.8166.2-92.1000114.9E237 Y281 F282 T283 F307 R310 T333E237-Y279 WeakPolarHBondContact OE1-CB 3.31Å; E237-Y279 PolarHBondContact OE1-N 2.85Å; Y279-Y281 PolarHBondContact O-N 2.9Å; Y279-F282 VanDerWaalsContact O-CB 3.27Å; Y279-F282 WeakPolarHBondContact O-CB 3.2Å; Y279-F282 PolarHBondContact O-N 3.12Å; Y279-T283 HydrophobicContact CE1-CG2 4.07Å; Y279-F307 AromaticContact CD2-CD1 3.94Å; Y279-F307 HydrophobicContact CD2-CD1 3.94Å; Y279-F307 AromaticContact CD2-CD2 3.79Å; Y279-F307 HydrophobicContact CD2-CD2 3.79Å; Y279-F307 AromaticContact CD2-CE1 3.76Å; Y279-F307 HydrophobicContact CD2-CE1 3.76Å; Y279-F307 AromaticContact CD2-CE2 3.59Å; Y279-F307 HydrophobicContact CD2-CE2 3.59Å; Y279-F307 AromaticContact CD2-CG 3.98Å; Y279-F307 HydrophobicContact CD2-CG 3.98Å; Y279-F307 AromaticContact CD2-CZ 3.6Å; Y279-F307 HydrophobicContact CD2-CZ 3.6Å; Y279-F307 HydrophobicContact CE2-CD2 4.21Å; Y279-F307 HydrophobicContact CE2-CE1 4.08Å; Y279-F307 AromaticContact CE2-CE2 3.56Å; Y279-F307 HydrophobicContact CE2-CE2 3.56Å; Y279-F307 AromaticContact CE2-CZ 3.51Å; Y279-F307 HydrophobicContact CE2-CZ 3.51Å; Y279-R310 VanDerWaalsContact CG-NH1 3.28Å; Y279-T333 HydrophobicContact CE2-CG2 4.26Å
280S94.7Very high95.6Very high31 Ų3142.3 Ų42.322%0.21724%0.237CC..Hα-helixtrans-72.4-11.5-178.367.70000113.3K260 D278 F282 T283 D284K260-S280 PolarHBondContact NZ-OG 2.81Å; D278-S280 PolarHBondContact O-N 2.89Å; D278-S280 VanDerWaalsContact O-N 3.07Å; D278-S280 WeakPolarHBondContact OD1-CA 3.25Å; D278-S280 WeakPolarHBondContact OD1-CB 3.17Å; D278-S280 PolarHBondContact OD1-N 2.9Å; D278-S280 PolarHBondContact OD1-OG 3.34Å; S280-F282 VanDerWaalsContact C-N 3.27Å; S280-T283 PolarHBondContact O-N 3.15Å; S280-T283 PolarHBondContact O-OG1 2.85Å; S280-D284 WeakPolarHBondContact O-CA 3.49Å; S280-D284 WeakPolarHBondContact O-CB 3.21Å; S280-D284 PolarHBondContact O-N 2.85Å
281Y95.1Very high95.7Very high26 Ų2642.2 Ų42.210%0.10223%0.231CC..Hα-helixtrans-77.3-10.5167.4-68.8-94.1000113.8F243 K260 V275 V277 D278 Y279 V286 V303F243-Y281 HydrophobicContact CZ-CD1 4.5Å; K260-Y281 HydrophobicContact CD-CD1 4.13Å; K260-Y281 HydrophobicContact CD-CE1 3.75Å; K260-Y281 HydrophobicContact CD-CE2 4.4Å; V275-Y281 HydrophobicContact CG2-CE1 3.84Å; V277-Y281 HydrophobicContact CB-CD2 3.77Å; V277-Y281 HydrophobicContact CB-CE2 4.25Å; V277-Y281 HydrophobicContact CB-CG 4.03Å; V277-Y281 HydrophobicContact CG1-CD1 4.12Å; V277-Y281 HydrophobicContact CG1-CD2 3.93Å; V277-Y281 HydrophobicContact CG1-CE1 4.42Å; V277-Y281 HydrophobicContact CG1-CE2 4.22Å; V277-Y281 HydrophobicContact CG1-CG 3.85Å; D278-Y281 PolarHBondContact O-N 3.43Å; D278-Y281 WeakPolarHBondContact OD1-CD2 3.42Å; Y279-Y281 PolarHBondContact O-N 2.9Å; Y281-V286 HydrophobicContact CD1-CG2 3.62Å; Y281-V286 HydrophobicContact CE1-CG2 3.67Å; Y281-V303 HydrophobicContact CD1-CG2 4.3Å; Y281-V303 PolarHBondContact O-N 2.92Å
282F94.6Very high95.8Very high70 Ų7038.9 Ų38.931%0.30721%0.213SC..Hα-helixtrans-85.2-22.2170.2-175.6-98.2000112.3Y279 S280 V305 F307 N335Y279-F282 VanDerWaalsContact O-CB 3.27Å; Y279-F282 WeakPolarHBondContact O-CB 3.2Å; Y279-F282 PolarHBondContact O-N 3.12Å; S280-F282 VanDerWaalsContact C-N 3.27Å; F282-V305 HydrophobicContact CB-CB 4.31Å; F282-V305 HydrophobicContact CB-CG2 4.47Å; F282-F307 HydrophobicContact CB-CE1 4.23Å; F282-F307 AromaticContact CD1-CE1 3.8Å; F282-F307 HydrophobicContact CD1-CE1 3.8Å; F282-F307 HydrophobicContact CD1-CZ 4.04Å; F282-F307 HydrophobicContact CD2-CE1 4.18Å; F282-F307 HydrophobicContact CE1-CE1 4.15Å; F282-F307 HydrophobicContact CE1-CZ 4.14Å; F282-F307 HydrophobicContact CE2-CE1 4.49Å; F282-F307 AromaticContact CG-CE1 3.82Å; F282-F307 HydrophobicContact CG-CE1 3.82Å; F282-F307 HydrophobicContact CZ-CE1 4.48Å; F282-N335 HydrophobicContact CE2-CB 4.05Å; F282-N335 WeakPolarHBondContact CE2-ND2 3.38Å; F282-N335 HydrophobicContact CZ-CB 4.24Å
283T93.5Very high95.8Very high63 Ų6340.4 Ų40.439%0.38722%0.224SC..Hα-helixtrans-105.1-37.4178.457.60000113.6Y279 S280Y279-T283 HydrophobicContact CE1-CG2 4.07Å; S280-T283 PolarHBondContact O-N 3.15Å; S280-T283 PolarHBondContact O-OG1 2.85Å
284D95.8Very high95.6Very high64 Ų6441.5 Ų41.534%0.34223%0.231SC..SBendtrans-110.1112-167.5-50-5.6000109.3K260 S280K260-D284 HydrophobicContact CG-CB 4.25Å; S280-D284 WeakPolarHBondContact O-CA 3.49Å; S280-D284 WeakPolarHBondContact O-CB 3.21Å; S280-D284 PolarHBondContact O-N 2.85Å
285P96.2Very high95.6Very high47 Ų4737.4 Ų37.431%0.30522%0.22SC..  trans-70.6140.9-173.328.3-35000111.9K260 G261 T301 L302K260-P285 WeakPolarHBondContact CA-O 3.4Å; G261-P285 PolarHBondContact N-O 2.54Å; P285-T301 CarbonylContact C-O 3.16Å; P285-T301 VanDerWaalsContact CA-O 3.31Å; P285-T301 WeakPolarHBondContact CA-O 3.4Å; P285-L302 HydrophobicContact CB-CD2 4.04Å; P285-L302 HydrophobicContact CB-CG 4.32Å
286V96.7Very high95.7Very high2 Ų239 Ų391%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-85.6131.9167.7176.80000107.9F243 W258 S259 K260 L273 Y281 S300 T301F243-V286 HydrophobicContact CD1-CB 4.37Å; F243-V286 HydrophobicContact CD1-CG1 4.14Å; F243-V286 HydrophobicContact CD2-CG1 4.29Å; F243-V286 HydrophobicContact CE1-CB 3.73Å; F243-V286 HydrophobicContact CE1-CG1 3.98Å; F243-V286 HydrophobicContact CE1-CG2 4.15Å; F243-V286 HydrophobicContact CE2-CB 4.25Å; F243-V286 HydrophobicContact CE2-CG1 4.14Å; F243-V286 HydrophobicContact CE2-CG2 3.96Å; F243-V286 HydrophobicContact CG-CG1 4.28Å; F243-V286 HydrophobicContact CZ-CB 3.65Å; F243-V286 HydrophobicContact CZ-CG1 3.97Å; F243-V286 HydrophobicContact CZ-CG2 3.53Å; W258-V286 HydrophobicContact CE3-CG1 3.78Å; W258-V286 HydrophobicContact CZ3-CG1 3.92Å; S259-V286 CarbonylContact O-C 3.5Å; S259-V286 WeakPolarHBondContact O-CA 3.11Å; K260-V286 HydrophobicContact CB-CG2 4.38Å; K260-V286 HydrophobicContact CG-CG2 4.28Å; L273-V286 HydrophobicContact CD2-CG1 4.25Å; Y281-V286 HydrophobicContact CD1-CG2 3.62Å; Y281-V286 HydrophobicContact CE1-CG2 3.67Å; V286-S300 CarbonylContact O-C 3.58Å; V286-S300 VanDerWaalsContact O-CA 3.25Å; V286-S300 WeakPolarHBondContact O-CA 3.49Å; V286-T301 PolarHBondContact N-O 2.82Å; V286-T301 PolarHBondContact O-N 2.88Å
287S97.1Very high95.7Very high12 Ų1237.4 Ų37.48%0.08422%0.222CC..EExtended strand (participates in β ladder)trans-129.2136.7-173.9-35.70000110.8W258 S259 N298 V299 S300W258-S287 CarbonylContact C-O 3.57Å; W258-S287 WeakPolarHBondContact CA-O 3.39Å; S259-S287 PolarHBondContact N-O 2.88Å; S259-S287 PolarHBondContact O-N 3.05Å; S259-S287 PolarHBondContact OG-O 2.04Å; S287-N298 WeakPolarHBondContact CB-OD1 3.43Å; S287-V299 CarbonylContact C-O 3.57Å; S287-V299 VanDerWaalsContact CA-O 3.31Å; S287-V299 WeakPolarHBondContact CA-O 3.43Å; S287-S300 WeakPolarHBondContact OG-CB 3.4Å
288C97.6Very high95.8Very high0 Ų041.8 Ų41.80%025%0.245CC..EExtended strand (participates in β ladder)trans-113.5115.5175.4176.70000109.3L228 C245 W258 N298 V299L228-C288 HydrophobicContact CD1-CB 4.35Å; C245-C288 HydrophobicContact CB-CB 3.77Å; C245-C288 WeakPolarHBondContact CB-SG 3.41Å; C245-C288 WeakPolarHBondContact SG-CB 3.43Å; C245-C288 CovalentContact SG-SG 2.04Å; C245-C288 PolarHBondContact SG-SG 2.83Å; W258-C288 HydrophobicContact CD2-CB 4.32Å; W258-C288 HydrophobicContact CE3-CB 4.06Å; W258-C288 HydrophobicContact CH2-CB 4.07Å; W258-C288 HydrophobicContact CZ2-CB 4.3Å; W258-C288 HydrophobicContact CZ3-CB 3.94Å; C288-N298 WeakPolarHBondContact O-CA 3.02Å; C288-N298 PolarHBondContact O-OD1 3.49Å; C288-V299 PolarHBondContact N-O 2.88Å; C288-V299 PolarHBondContact O-N 2.89Å; C288-V299 VanDerWaalsContact O-N 3.07Å
289E96.9Very high95.9Very high45 Ų4540.8 Ų40.821%0.2124%0.242CC..EExtended strand (participates in β ladder)trans-93125.7166.1177.8-176.8-150.600109.4Y256 R257 S296 T297 N298Y256-E289 CarbonylContact C-O 3.34Å; Y256-E289 WeakPolarHBondContact CA-O 3.44Å; R257-E289 HydrophobicContact CB-CB 4.31Å; R257-E289 IonicContact CZ-OE2 3.17Å; R257-E289 PolarHBondContact N-O 2.86Å; R257-E289 IonicContact NE-OE2 2.62Å; R257-E289 IonicContact NH1-OE2 3.47Å; R257-E289 PolarHBondContact NH1-OE2 3.08Å; R257-E289 PolarHBondContact O-N 2.89Å; E289-S296 VanDerWaalsContact OE1-CB 3.26Å; E289-S296 WeakPolarHBondContact OE1-CB 3.44Å; E289-S296 PolarHBondContact OE1-OG 2.8Å; E289-T297 WeakPolarHBondContact CA-O 3.02Å; E289-N298 HydrophobicContact CB-CB 4.15Å; E289-N298 HydrophobicContact CG-CB 4.49Å
290V97.9Very high96.1Very high0 Ų041.5 Ų41.50%026%0.255CS..EExtended strand (participates in β ladder)trans-113.3138.9174.2-168.70000109P224 V226 C245 A247 I253 Y256 S296 T297P224-V290 HydrophobicContact CB-CB 4.02Å; P224-V290 HydrophobicContact CB-CG1 3.86Å; P224-V290 HydrophobicContact CG-CB 4.34Å; P224-V290 HydrophobicContact CG-CG1 4.04Å; V226-V290 HydrophobicContact CB-CG2 4.37Å; V226-V290 HydrophobicContact CG1-CG2 3.84Å; V226-V290 HydrophobicContact CG2-CB 3.66Å; V226-V290 HydrophobicContact CG2-CG2 3.54Å; C245-V290 VanDerWaalsContact SG-CG2 3.54Å; A247-V290 HydrophobicContact CB-CB 4.44Å; A247-V290 HydrophobicContact CB-CG1 4.05Å; A247-V290 HydrophobicContact CB-CG2 4.21Å; I253-V290 HydrophobicContact CB-CG1 4.44Å; I253-V290 HydrophobicContact CD1-CG1 3.92Å; I253-V290 HydrophobicContact CG1-CG1 4.02Å; I253-V290 HydrophobicContact CG2-CG1 3.59Å; Y256-V290 HydrophobicContact CD1-CB 4.42Å; Y256-V290 HydrophobicContact CD1-CG1 4.17Å; Y256-V290 HydrophobicContact CD1-CG2 3.63Å; Y256-V290 HydrophobicContact CE1-CB 4.49Å; Y256-V290 HydrophobicContact CE1-CG1 3.94Å; Y256-V290 HydrophobicContact CE1-CG2 3.72Å; V290-S296 CarbonylContact O-C 3.58Å; V290-S296 WeakPolarHBondContact O-CA 3.47Å; V290-S296 VanDerWaalsContact O-CB 3.27Å; V290-S296 WeakPolarHBondContact O-CB 3.21Å; V290-T297 PolarHBondContact N-O 2.98Å; V290-T297 PolarHBondContact O-N 2.89Å
291S96.5Very high96.2Very high30 Ų3042.3 Ų42.321%0.2126%0.258CS..EExtended strand (participates in β ladder)trans-123.8149.2-175.462.60000113.2I253 T254 G255I253-S291 CarbonylContact C-O 3.52Å; I253-S291 WeakPolarHBondContact CA-O 3.23Å; T254-S291 PolarHBondContact N-O 2.91Å; T254-S291 VanDerWaalsContact OG1-C 3.3Å; T254-S291 PolarHBondContact OG1-O 3.36Å; T254-S291 PolarHBondContact OG1-OG 3.18Å; G255-S291 PolarHBondContact N-OG 2.84Å; G255-S291 PolarHBondContact O-N 3.06Å; G255-S291 PolarHBondContact O-OG 2.94Å
292N96.5Very high96.1Very high10 Ų1044.9 Ų44.95%0.05327%0.274CS..  trans-140.1-174.8159.377.2-4.4000110.4H222 P224 P251 E252 T254 V294 G295H222-N292 PolarHBondContact O-ND2 3.33Å; P224-N292 HydrophobicContact CG-CB 4.21Å; P251-N292 WeakPolarHBondContact O-CB 3.25Å; P251-N292 PolarHBondContact O-ND2 2.95Å; E252-N292 WeakPolarHBondContact O-CB 3.31Å; T254-N292 WeakPolarHBondContact OG1-CA 3.44Å; T254-N292 PolarHBondContact OG1-N 3.39Å; N292-V294 PolarHBondContact O-N 2.89Å; N292-V294 VanDerWaalsContact O-N 3.09Å; N292-V294 WeakPolarHBondContact OD1-CA 3.37Å; N292-V294 VanDerWaalsContact OD1-CB 3.3Å; N292-V294 WeakPolarHBondContact OD1-CB 3.15Å; N292-V294 PolarHBondContact OD1-N 3.32Å; N292-G295 PolarHBondContact N-O 2.77Å; N292-G295 PolarHBondContact O-N 3.07Å; N292-G295 PolarHBondContact OD1-N 2.8Å; N292-G295 VanDerWaalsContact OD1-N 3.16Å; N292-G295 PolarHBondContact OD1-O 2.99Å
293S95.4Very high96.2Very high86 Ų8641.8 Ų41.860%0.60126%0.26SS*.SBendtrans-70.30.8179.2680000115.4P251P251-S293 WeakPolarHBondContact CG-OG 3.43Å
294V93.4Very high96.3Very high40 Ų4041.4 Ų41.424%0.24226%0.256CS..SBendtrans-101.8-38.1177-171.20000110.8Q221 N292Q221-V294 HydrophobicContact CB-CG2 3.91Å; N292-V294 PolarHBondContact O-N 2.89Å; N292-V294 VanDerWaalsContact O-N 3.09Å; N292-V294 WeakPolarHBondContact OD1-CA 3.37Å; N292-V294 VanDerWaalsContact OD1-CB 3.3Å; N292-V294 WeakPolarHBondContact OD1-CB 3.15Å; N292-V294 PolarHBondContact OD1-N 3.32Å
295G94.5Very high96.3Very high30 Ų3038.4 Ų38.431%0.30924%0.24SC..  trans174.6-170177.400000112.3N292N292-G295 PolarHBondContact N-O 2.77Å; N292-G295 PolarHBondContact O-N 3.07Å; N292-G295 PolarHBondContact OD1-N 2.8Å; N292-G295 VanDerWaalsContact OD1-N 3.16Å; N292-G295 PolarHBondContact OD1-O 2.99Å
296S96.4Very high96.4Very high56 Ų5638.6 Ų38.639%0.39224%0.237SC..EExtended strand (participates in β ladder)trans-119.8166170.2650000111.6E289 V290E289-S296 VanDerWaalsContact OE1-CB 3.26Å; E289-S296 WeakPolarHBondContact OE1-CB 3.44Å; E289-S296 PolarHBondContact OE1-OG 2.8Å; V290-S296 CarbonylContact O-C 3.58Å; V290-S296 WeakPolarHBondContact O-CA 3.47Å; V290-S296 VanDerWaalsContact O-CB 3.27Å; V290-S296 WeakPolarHBondContact O-CB 3.21Å
297T97.6Very high96.3Very high48 Ų4838.7 Ų38.729%0.29424%0.237SC..EExtended strand (participates in β ladder)trans-145.9137.5173.8-75.40000108.5P224 V226 E289 V290P224-T297 WeakPolarHBondContact O-CB 3.4Å; P224-T297 PolarHBondContact O-OG1 2.9Å; V226-T297 HydrophobicContact CB-CG2 4.15Å; V226-T297 HydrophobicContact CG2-CG2 3.81Å; E289-T297 WeakPolarHBondContact CA-O 3.02Å; V290-T297 PolarHBondContact N-O 2.98Å; V290-T297 PolarHBondContact O-N 2.89Å
298N97Very high96.3Very high93 Ų9339.2 Ų39.250%0.49724%0.244SC..EExtended strand (participates in β ladder)trans-123.9128.7-173.2-174.4-2.9000109.7S287 C288 E289S287-N298 WeakPolarHBondContact CB-OD1 3.43Å; C288-N298 WeakPolarHBondContact O-CA 3.02Å; C288-N298 PolarHBondContact O-OD1 3.49Å; E289-N298 HydrophobicContact CB-CB 4.15Å; E289-N298 HydrophobicContact CG-CB 4.49Å
299V97.7Very high96.3Very high49 Ų4940 Ų4030%0.29725%0.25SC..EExtended strand (participates in β ladder)trans-128.2139.1178.9178.10000108.6V226 L228 S287 C288V226-V299 HydrophobicContact CB-CG2 3.83Å; V226-V299 HydrophobicContact CG1-CB 4.2Å; V226-V299 HydrophobicContact CG1-CG2 3.96Å; L228-V299 HydrophobicContact CB-CB 4.34Å; L228-V299 HydrophobicContact CB-CG1 3.85Å; L228-V299 WeakPolarHBondContact CD2-O 3.21Å; S287-V299 CarbonylContact C-O 3.57Å; S287-V299 VanDerWaalsContact CA-O 3.31Å; S287-V299 WeakPolarHBondContact CA-O 3.43Å; C288-V299 PolarHBondContact N-O 2.88Å; C288-V299 PolarHBondContact O-N 2.89Å; C288-V299 VanDerWaalsContact O-N 3.07Å
300S97.1Very high96.2Very high70 Ų7042.3 Ų42.349%0.4926%0.256SS..EExtended strand (participates in β ladder)trans-130151.9-176.7670000113.1V286 S287V286-S300 CarbonylContact O-C 3.58Å; V286-S300 VanDerWaalsContact O-CA 3.25Å; V286-S300 WeakPolarHBondContact O-CA 3.49Å; S287-S300 WeakPolarHBondContact OG-CB 3.4Å
301T95.9Very high96Very high47 Ų4744.9 Ų44.929%0.28827%0.27SS..EExtended strand (participates in β ladder)trans-148.3158.7176.8-1660000111.5L228 F243 P285 V286L228-T301 HydrophobicContact CD2-CG2 3.82Å; L228-T301 HydrophobicContact CG-CG2 4.01Å; F243-T301 HydrophobicContact CD1-CG2 4.22Å; F243-T301 HydrophobicContact CE1-CG2 3.84Å; P285-T301 CarbonylContact C-O 3.16Å; P285-T301 VanDerWaalsContact CA-O 3.31Å; P285-T301 WeakPolarHBondContact CA-O 3.4Å; V286-T301 PolarHBondContact N-O 2.82Å; V286-T301 PolarHBondContact O-N 2.88Å
302L94.9Very high96Very high81 Ų8149 Ų4942%0.42429%0.289SS..  trans-96.6167.6168.1-69.2166.2000110.4P285P285-L302 HydrophobicContact CB-CD2 4.04Å; P285-L302 HydrophobicContact CB-CG 4.32Å
303V95.8Very high95.9Very high4 Ų451.1 Ų51.12%0.02430%0.304CS..  trans-107.2138.1170.7-171.60000109.1V230 V235 V241 F243 V277 Y281 V305V230-V303 HydrophobicContact CG2-CG2 4.22Å; V235-V303 HydrophobicContact CG2-CG1 4.09Å; V241-V303 HydrophobicContact CG2-CG1 4.35Å; F243-V303 HydrophobicContact CE1-CG2 4.08Å; F243-V303 HydrophobicContact CE2-CG2 4.31Å; F243-V303 HydrophobicContact CZ-CG2 3.43Å; F243-V303 VanDerWaalsContact CZ-CG2 3.43Å; V277-V303 HydrophobicContact CG1-CG1 4.48Å; V277-V303 HydrophobicContact CG1-CG2 4.39Å; Y281-V303 HydrophobicContact CD1-CG2 4.3Å; Y281-V303 PolarHBondContact O-N 2.92Å; V303-V305 HydrophobicContact CB-CG2 3.79Å; V303-V305 HydrophobicContact CG1-CG2 3.8Å; V303-V305 PolarHBondContact O-N 3.33Å
304D95.6Very high95.8Very high56 Ų5652 Ų5230%0.29930%0.299SS..EExtended strand (participates in β ladder)trans-78.973.3172-178.228.5000110Q233 T234 V235 N335Q233-D304 PolarHBondContact O-N 2.95Å; T234-D304 WeakPolarHBondContact CA-O 3.38Å; T234-D304 WeakPolarHBondContact CB-OD2 3.47Å; T234-D304 HydrophobicContact CG2-CB 4.4Å; T234-D304 WeakPolarHBondContact CG2-OD2 3.39Å; T234-D304 PolarHBondContact OG1-OD2 2.84Å; V235-D304 PolarHBondContact N-O 2.88Å; V235-D304 VanDerWaalsContact N-O 3.07Å; D304-N335 PolarHBondContact OD1-ND2 2.83Å
305V96.8Very high95.9Very high0 Ų050.4 Ų50.40%029%0.29CS..EExtended strand (participates in β ladder)trans-79.8123.3178.4-168.60000109.7V235 E237 V277 F282 V303 F307 N335V235-V305 CarbonylContact O-C 3.59Å; V235-V305 WeakPolarHBondContact O-CA 3.34Å; E237-V305 HydrophobicContact CB-CG1 4Å; V277-V305 HydrophobicContact CB-CG2 4.21Å; V277-V305 HydrophobicContact CG2-CG1 4.31Å; V277-V305 HydrophobicContact CG2-CG2 4.04Å; F282-V305 HydrophobicContact CB-CB 4.31Å; F282-V305 HydrophobicContact CB-CG2 4.47Å; V303-V305 HydrophobicContact CB-CG2 3.79Å; V303-V305 HydrophobicContact CG1-CG2 3.8Å; V303-V305 PolarHBondContact O-N 3.33Å; V305-F307 VanDerWaalsContact O-CD1 3.23Å; V305-F307 WeakPolarHBondContact O-CD1 3.27Å; V305-N335 WeakPolarHBondContact O-CB 3.37Å; V305-N335 PolarHBondContact O-ND2 3.46Å
306Q96.4Very high96Very high52 Ų5257 Ų5724%0.24331%0.31CS..EExtended strand (participates in β ladder)trans-89129173.9-61.5-176.5-4.900110.5T234 V235 T236 E237 N335 I379T234-Q306 HydrophobicContact CG2-CG 4.09Å; V235-Q306 PolarHBondContact O-N 3.3Å; T236-Q306 HydrophobicContact CG2-CB 4.43Å; E237-Q306 PolarHBondContact N-O 2.66Å; Q306-N335 CarbonylContact C-O 3.51Å; Q306-N335 WeakPolarHBondContact CA-O 3.19Å; Q306-N335 WeakPolarHBondContact CB-O 3.13Å; Q306-I379 HydrophobicContact CB-CD1 4.21Å
307F96.4Very high96Very high3 Ų358.8 Ų58.81%0.01332%0.32CS..EExtended strand (participates in β ladder)trans-149.9148.7-176.159.3-87.8000111.1E237 Y279 F282 V305 R310 T333 N335E237-F307 HydrophobicContact CB-CB 4.38Å; Y279-F307 AromaticContact CD2-CD1 3.94Å; Y279-F307 HydrophobicContact CD2-CD1 3.94Å; Y279-F307 AromaticContact CD2-CD2 3.79Å; Y279-F307 HydrophobicContact CD2-CD2 3.79Å; Y279-F307 AromaticContact CD2-CE1 3.76Å; Y279-F307 HydrophobicContact CD2-CE1 3.76Å; Y279-F307 AromaticContact CD2-CE2 3.59Å; Y279-F307 HydrophobicContact CD2-CE2 3.59Å; Y279-F307 AromaticContact CD2-CG 3.98Å; Y279-F307 HydrophobicContact CD2-CG 3.98Å; Y279-F307 AromaticContact CD2-CZ 3.6Å; Y279-F307 HydrophobicContact CD2-CZ 3.6Å; Y279-F307 HydrophobicContact CE2-CD2 4.21Å; Y279-F307 HydrophobicContact CE2-CE1 4.08Å; Y279-F307 AromaticContact CE2-CE2 3.56Å; Y279-F307 HydrophobicContact CE2-CE2 3.56Å; Y279-F307 AromaticContact CE2-CZ 3.51Å; Y279-F307 HydrophobicContact CE2-CZ 3.51Å; F282-F307 HydrophobicContact CB-CE1 4.23Å; F282-F307 AromaticContact CD1-CE1 3.8Å; F282-F307 HydrophobicContact CD1-CE1 3.8Å; F282-F307 HydrophobicContact CD1-CZ 4.04Å; F282-F307 HydrophobicContact CD2-CE1 4.18Å; F282-F307 HydrophobicContact CE1-CE1 4.15Å; F282-F307 HydrophobicContact CE1-CZ 4.14Å; F282-F307 HydrophobicContact CE2-CE1 4.49Å; F282-F307 AromaticContact CG-CE1 3.82Å; F282-F307 HydrophobicContact CG-CE1 3.82Å; F282-F307 HydrophobicContact CZ-CE1 4.48Å; V305-F307 VanDerWaalsContact O-CD1 3.23Å; V305-F307 WeakPolarHBondContact O-CD1 3.27Å; F307-R310 HydrophobicContact CD2-CG 4.21Å; F307-T333 HydrophobicContact CE2-CG2 4.22Å; F307-N335 HydrophobicContact CD1-CB 3.98Å; F307-N335 HydrophobicContact CE1-CB 3.53Å; F307-N335 HydrophobicContact CZ-CB 4Å; F307-N335 PolarHBondContact N-O 3.43Å; F307-N335 PolarHBondContact O-N 2.82Å
308G96.4Very high95.9Very high23 Ų2359.9 Ų59.924%0.23732%0.323CS..EExtended strand (participates in β ladder)trans-69.8175.5179.900000113.7R310G308-R310 PolarHBondContact O-N 3.5Å
309P96.7Very high95.8Very high18 Ų1859.5 Ų59.512%0.11732%0.324CS..EExtended strand (participates in β ladder)trans-61.5123.2-174-13.122.4000112.7W332 T333 A374 V376 A382P309-W332 HydrophobicContact CB-CD2 4.41Å; P309-W332 HydrophobicContact CB-CE3 3.76Å; P309-W332 HydrophobicContact CB-CZ3 4.26Å; P309-T333 CarbonylContact C-O 3.1Å; P309-T333 WeakPolarHBondContact CA-O 3.33Å; P309-A374 HydrophobicContact CB-CB 3.72Å; P309-A374 HydrophobicContact CG-CB 4.14Å; P309-A374 WeakPolarHBondContact CG-O 3.47Å; P309-V376 HydrophobicContact CB-CG2 4.5Å; P309-V376 HydrophobicContact CG-CB 4.45Å; P309-V376 HydrophobicContact CG-CG2 3.91Å; P309-A382 HydrophobicContact CB-CB 4.05Å; P309-A382 HydrophobicContact CG-CB 4.24Å
310R94.8Very high95.7Very high92 Ų9257.6 Ų57.635%0.34731%0.312SS..EExtended strand (participates in β ladder)trans-111.9132.1174.8-68.3178.3173.7-132.9-4.4110.2E237 Y279 F307 G308 W332 T333E237-R310 IonicContact OE1-CZ 3.72Å; E237-R310 IonicContact OE1-NH2 2.72Å; E237-R310 PolarHBondContact OE1-NH2 3.18Å; E237-R310 IonicContact OE2-CZ 3.66Å; E237-R310 IonicContact OE2-NE 2.98Å; E237-R310 IonicContact OE2-NH2 3.76Å; E237-R310 PolarHBondContact OE2-NH2 2.86Å; Y279-R310 VanDerWaalsContact CG-NH1 3.28Å; F307-R310 HydrophobicContact CD2-CG 4.21Å; G308-R310 PolarHBondContact O-N 3.5Å; R310-W332 CarbonylContact O-C 3.58Å; R310-W332 VanDerWaalsContact O-CA 3.24Å; R310-W332 WeakPolarHBondContact O-CA 3.5Å; R310-T333 HydrophobicContact CB-CG2 3.93Å; R310-T333 PolarHBondContact N-O 3.02Å; R310-T333 PolarHBondContact O-N 3.15Å
311L95.6Very high95.6Very high55 Ų5556.8 Ų56.829%0.28830%0.303SS..EExtended strand (participates in β ladder)trans-76.6124.2-175.6-170.469.2000110.8S313 E314 W332 R384L311-S313 WeakPolarHBondContact CD1-O 3.39Å; L311-E314 HydrophobicContact CD2-CB 3.78Å; L311-E314 HydrophobicContact CD2-CG 3.92Å; L311-W332 HydrophobicContact CB-CD2 4.5Å; L311-W332 HydrophobicContact CB-CE3 4.01Å; L311-W332 HydrophobicContact CB-CH2 4.36Å; L311-W332 HydrophobicContact CB-CZ3 3.93Å; L311-W332 HydrophobicContact CD1-CD2 3.85Å; L311-W332 HydrophobicContact CD1-CE3 4.18Å; L311-W332 HydrophobicContact CD1-CG 4.42Å; L311-W332 HydrophobicContact CD1-CH2 4.07Å; L311-W332 HydrophobicContact CD1-CZ2 3.74Å; L311-W332 HydrophobicContact CD1-CZ3 4.27Å; L311-R384 HydrophobicContact CD1-CG 4.28Å; L311-R384 HydrophobicContact CD2-CG 3.92Å
312L94.9Very high95.4Very high115 Ų11558.2 Ų58.260%0.60231%0.308SS*.EExtended strand (participates in β ladder)trans-99.1-32.6174.7-66.8-177.8000112.8A331 T333L312-A331 HydrophobicContact CB-CB 4.14Å; L312-A331 PolarHBondContact N-O 2.9Å; L312-T333 HydrophobicContact CD1-CG2 4.28Å; L312-T333 HydrophobicContact CD2-CG2 3.78Å; L312-T333 HydrophobicContact CG-CG2 3.94Å
313S94.7Very high95.3Very high55 Ų5556.5 Ų56.539%0.38531%0.31SS..EExtended strand (participates in β ladder)trans-146.4120.4178.8-169.90000109.6L311 C330 A331L311-S313 WeakPolarHBondContact CD1-O 3.39Å; S313-C330 WeakPolarHBondContact O-CA 3.44Å; S313-A331 PolarHBondContact N-O 2.9Å; S313-A331 VanDerWaalsContact N-O 3.1Å; S313-A331 PolarHBondContact O-N 3.27Å
314E94.3Very high95.3Very high104 Ų10462 Ų6249%0.48634%0.337SS..  trans-86.4131-176.4-169160.2-11900111.2L311 R384L311-E314 HydrophobicContact CD2-CB 3.78Å; L311-E314 HydrophobicContact CD2-CG 3.92Å; E314-R384 WeakPolarHBondContact OE1-CD 3.2Å; E314-R384 IonicContact OE1-CZ 3.61Å; E314-R384 IonicContact OE1-NE 3.78Å; E314-R384 PolarHBondContact OE1-NE 2.9Å; E314-R384 IonicContact OE1-NH2 3.74Å
315P95.7Very high95.3Very high8 Ų863.6 Ų63.65%0.05235%0.345CS..  trans-68.8134.8177.629.6-35.4000111.1T329 C330 W342 R384 V386P315-T329 VanDerWaalsContact CA-O 3.26Å; P315-T329 WeakPolarHBondContact CA-O 3.36Å; P315-C330 HydrophobicContact CB-CB 4.18Å; P315-C330 HydrophobicContact CG-CB 4.15Å; P315-W342 HydrophobicContact CB-CH2 4.02Å; P315-R384 HydrophobicContact CG-CB 4.18Å; P315-V386 HydrophobicContact CB-CB 3.87Å; P315-V386 HydrophobicContact CB-CG1 4.03Å; P315-V386 HydrophobicContact CB-CG2 4.05Å; P315-V386 HydrophobicContact CG-CB 4.08Å; P315-V386 HydrophobicContact CG-CG1 4.43Å
316K96.1Very high95.2Very high167 Ų16763.8 Ų63.873%0.72635%0.347SS*.  trans-104.6136.4-175.1-62.4-175.2-179.8-178.20111F328 V386K316-F328 WeakPolarHBondContact O-CD1 3.26Å; K316-F328 WeakPolarHBondContact O-CE1 3.42Å; K316-V386 VanDerWaalsContact O-CG2 3.26Å; K316-V386 WeakPolarHBondContact O-CG2 3.36Å
317P96.8Very high95.2Very high95 Ų9563.6 Ų63.662%0.61735%0.354SS*.  trans-51.9141.4174.1-29.836.9000112.4V386 T387P317-V386 HydrophobicContact CG-CG2 4.45Å; P317-T387 WeakPolarHBondContact CA-O 3.25Å
318M95.3Very high95.3Very high70 Ų7063.7 Ų63.735%0.34536%0.355SS..EExtended strand (participates in β ladder)trans-132.6137.8-175.7-162-178.3-174.500110.5V320 A326 F328 T387 L388 T389M318-V320 HydrophobicContact CB-CG2 4.49Å; M318-V320 HydrophobicContact CE-CG2 3.79Å; M318-V320 HydrophobicContact CG-CG2 3.66Å; M318-V320 HydrophobicContact SD-CG2 3.67Å; M318-A326 HydrophobicContact SD-CB 4.18Å; M318-F328 HydrophobicContact CB-CD1 4.48Å; M318-F328 HydrophobicContact CB-CE1 3.62Å; M318-F328 HydrophobicContact CB-CZ 4.07Å; M318-T387 PolarHBondContact N-O 3.45Å; M318-T387 VanDerWaalsContact N-O 3.07Å; M318-L388 HydrophobicContact CB-CD1 4.44Å; M318-T389 PolarHBondContact O-N 2.91Å
319T94.7Very high95.3Very high85 Ų8565.9 Ų65.952%0.52136%0.364SS..EExtended strand (participates in β ladder)trans-111.9126.8170.7-56.80000108.7T389 N391T319-T389 CarbonylContact C-O 3.54Å; T319-T389 VanDerWaalsContact CA-O 3.27Å; T319-T389 WeakPolarHBondContact CA-O 3.17Å; T319-T389 HydrophobicContact CG2-CG2 4.02Å; T319-N391 WeakPolarHBondContact CG2-ND2 3.13Å; T319-N391 WeakPolarHBondContact CG2-OD1 3.43Å
320V95.3Very high95.2Very high9 Ų965 Ų656%0.05536%0.358CS..EExtended strand (participates in β ladder)trans-134.4138.6-170.8-177.60000110.6M318 M324 A326 L388 T389 V390 N391M318-V320 HydrophobicContact CB-CG2 4.49Å; M318-V320 HydrophobicContact CE-CG2 3.79Å; M318-V320 HydrophobicContact CG-CG2 3.66Å; M318-V320 HydrophobicContact SD-CG2 3.67Å; V320-M324 HydrophobicContact CG1-CB 3.77Å; V320-A326 HydrophobicContact CG1-CB 4.49Å; V320-A326 HydrophobicContact CG2-CB 3.9Å; V320-L388 HydrophobicContact CB-CD1 4.45Å; V320-L388 HydrophobicContact CG2-CD1 4Å; V320-T389 PolarHBondContact N-O 2.72Å; V320-V390 CarbonylContact O-C 3.52Å; V320-V390 WeakPolarHBondContact O-CA 3.32Å; V320-N391 PolarHBondContact O-N 2.91Å
321D94Very high95.3Very high53 Ų5361.3 Ų61.328%0.28335%0.347SS..EExtended strand (participates in β ladder)trans-76.3136.2176.9-7617.2000110.5G323 M324 N391 R478 F479D321-G323 PolarHBondContact O-N 2.67Å; D321-M324 HydrophobicContact CB-CG 4.26Å; D321-M324 VanDerWaalsContact O-CB 3.25Å; D321-M324 WeakPolarHBondContact O-CB 3.3Å; D321-M324 WeakPolarHBondContact O-CG 3.44Å; D321-M324 PolarHBondContact O-N 3.06Å; D321-M324 VanDerWaalsContact O-N 3.08Å; D321-N391 PolarHBondContact OD1-ND2 2.88Å; D321-R478 IonicContact OD1-NH1 3.95Å; D321-R478 IonicContact OD2-CZ 2.7Å; D321-R478 IonicContact OD2-NH1 3.92Å; D321-R478 PolarHBondContact OD2-NH1 2.95Å; D321-F479 HydrophobicContact CB-CE1 3.85Å; D321-F479 HydrophobicContact CB-CZ 4.15Å; D321-F479 WeakPolarHBondContact OD1-CZ 3.47Å; D321-F479 WeakPolarHBondContact OD2-CE1 3.44Å; D321-F479 VanDerWaalsContact OD2-CZ 3.24Å; D321-F479 WeakPolarHBondContact OD2-CZ 3.32Å
322I92.8Very high95.3Very high77 Ų7759.9 Ų59.940%0.39534%0.338SS..THydrogen-bonded Turntrans-52.1133-176.5-170.5171000112.7V362 V390 N391 F479I322-V362 WeakPolarHBondContact CG1-O 3.23Å; I322-V390 HydrophobicContact CB-CG1 4.23Å; I322-N391 WeakPolarHBondContact CB-O 3.33Å; I322-N391 PolarHBondContact N-O 3.21Å; I322-F479 HydrophobicContact CG2-CD1 4.32Å
323G92.1Very high95.4Very high46 Ų4655.9 Ų55.947%0.47432%0.318SS..THydrogen-bonded Turntrans85.7-2.4-17600000115.4D321 V362D321-G323 PolarHBondContact O-N 2.67Å; G323-V362 PolarHBondContact N-O 2.7Å
324M95.4Very high95.4Very high118 Ų11853.9 Ų53.958%0.58131%0.306SS*.SBendtrans-89.8162.6170.8-60.4-67.3-67.400111.8V320 D321 V362V320-M324 HydrophobicContact CG1-CB 3.77Å; D321-M324 HydrophobicContact CB-CG 4.26Å; D321-M324 VanDerWaalsContact O-CB 3.25Å; D321-M324 WeakPolarHBondContact O-CB 3.3Å; D321-M324 WeakPolarHBondContact O-CG 3.44Å; D321-M324 PolarHBondContact O-N 3.06Å; D321-M324 VanDerWaalsContact O-N 3.08Å; M324-V362 VanDerWaalsContact O-CB 3.31Å; M324-V362 WeakPolarHBondContact O-CB 3.15Å; M324-V362 VanDerWaalsContact O-CG2 3.31Å; M324-V362 WeakPolarHBondContact O-CG2 3.37Å; M324-V362 PolarHBondContact O-N 2.99Å
325D96.1Very high95.5Very high90 Ų9049.9 Ų49.948%0.48129%0.289SS..  trans-84.1143.3174.2-72.88.4000111.3L359 K360 A361D325-L359 CarbonylContact C-O 3.51Å; D325-L359 WeakPolarHBondContact CA-O 3.37Å; D325-K360 WeakPolarHBondContact OD1-CA 3.48Å; D325-A361 PolarHBondContact OD1-N 2.96Å
326A95.9Very high95.5Very high4 Ų451.4 Ų51.43%0.03330%0.298CS..EExtended strand (participates in β ladder)trans-119.3148.2173.600000111.3M318 V320 Q358 L359 V362 L388M318-A326 HydrophobicContact SD-CB 4.18Å; V320-A326 HydrophobicContact CG1-CB 4.49Å; V320-A326 HydrophobicContact CG2-CB 3.9Å; A326-Q358 WeakPolarHBondContact O-CA 3.41Å; A326-L359 HydrophobicContact CB-CB 4.45Å; A326-L359 PolarHBondContact N-O 2.76Å; A326-L359 PolarHBondContact O-N 2.92Å; A326-V362 HydrophobicContact CB-CG2 3.77Å; A326-L388 HydrophobicContact CB-CD1 4Å
327A96.6Very high95.5Very high49 Ų4948.5 Ų48.541%0.40530%0.296SS..EExtended strand (participates in β ladder)trans-142.4118.5177.800000112T356 L357 Q358A327-T356 HydrophobicContact CB-CG2 4.32Å; A327-L357 CarbonylContact C-O 3.59Å; A327-L357 VanDerWaalsContact CA-O 3.3Å; A327-L357 WeakPolarHBondContact CA-O 3.41Å; A327-Q358 HydrophobicContact CB-CG 4.25Å
328F97.3Very high95.5Very high4 Ų446 Ų462%0.01828%0.277CS..EExtended strand (participates in β ladder)trans-100.6134.2170.8-64.8-66.6000110.3K316 M318 W342 T356 L357 Y370 V386 L388K316-F328 WeakPolarHBondContact O-CD1 3.26Å; K316-F328 WeakPolarHBondContact O-CE1 3.42Å; M318-F328 HydrophobicContact CB-CD1 4.48Å; M318-F328 HydrophobicContact CB-CE1 3.62Å; M318-F328 HydrophobicContact CB-CZ 4.07Å; F328-W342 HydrophobicContact CB-CH2 3.44Å; F328-W342 VanDerWaalsContact CB-CH2 3.44Å; F328-W342 HydrophobicContact CB-CZ2 4.16Å; F328-W342 HydrophobicContact CB-CZ3 3.87Å; F328-W342 HydrophobicContact CG-CH2 4.49Å; F328-W342 WeakPolarHBondContact O-CZ2 3.32Å; F328-T356 CarbonylContact O-C 3.59Å; F328-T356 VanDerWaalsContact O-CA 3.23Å; F328-T356 WeakPolarHBondContact O-CA 3.46Å; F328-T356 WeakPolarHBondContact O-CG2 3.25Å; F328-L357 HydrophobicContact CD2-CD2 4.47Å; F328-L357 PolarHBondContact N-O 2.85Å; F328-L357 PolarHBondContact O-N 2.89Å; F328-Y370 HydrophobicContact CE2-CD2 4.05Å; F328-Y370 HydrophobicContact CE2-CG 4.48Å; F328-V386 HydrophobicContact CB-CG1 4.36Å; F328-V386 HydrophobicContact CD1-CB 4.39Å; F328-V386 HydrophobicContact CD1-CG1 3.77Å; F328-V386 HydrophobicContact CD1-CG2 3.68Å; F328-V386 HydrophobicContact CD2-CG1 4.06Å; F328-V386 HydrophobicContact CE1-CB 4.41Å; F328-V386 HydrophobicContact CE1-CG1 3.97Å; F328-V386 HydrophobicContact CE1-CG2 3.54Å; F328-V386 HydrophobicContact CE2-CG1 4.25Å; F328-V386 HydrophobicContact CG-CG1 3.82Å; F328-V386 HydrophobicContact CZ-CG1 4.21Å; F328-V386 HydrophobicContact CZ-CG2 4.31Å; F328-L388 HydrophobicContact CE2-CB 3.92Å; F328-L388 HydrophobicContact CE2-CD1 4.2Å; F328-L388 HydrophobicContact CE2-CG 4.45Å; F328-L388 HydrophobicContact CZ-CB 3.73Å; F328-L388 HydrophobicContact CZ-CD1 3.89Å; F328-L388 HydrophobicContact CZ-CG 4.35Å
329T96.4Very high95.5Very high69 Ų6946.6 Ų46.642%0.42329%0.286SS..EExtended strand (participates in β ladder)trans-115.4132.1175.8-65.10000110.1P315 N355 T356P315-T329 VanDerWaalsContact CA-O 3.26Å; P315-T329 WeakPolarHBondContact CA-O 3.36Å; T329-N355 CarbonylContact C-O 3.57Å; T329-N355 WeakPolarHBondContact CA-O 3.31Å; T329-T356 PolarHBondContact OG1-OG1 3.16Å
330C95.8Very high95.6Very high0 Ų043.4 Ų43.40%027%0.265CS..  trans-145.3120.5-177177.90000107.7S313 P315 W332 W342 N355 C372S313-C330 WeakPolarHBondContact O-CA 3.44Å; P315-C330 HydrophobicContact CB-CB 4.18Å; P315-C330 HydrophobicContact CG-CB 4.15Å; C330-W332 PolarHBondContact SG-NE1 3.48Å; C330-W342 HydrophobicContact CB-CH2 3.57Å; C330-W342 HydrophobicContact CB-CZ2 3.28Å; C330-N355 PolarHBondContact N-O 3.08Å; C330-N355 CarbonylContact O-C 3.6Å; C330-N355 VanDerWaalsContact O-CA 3.25Å; C330-N355 WeakPolarHBondContact O-CA 3.45Å; C330-N355 WeakPolarHBondContact O-CB 3.39Å; C330-C372 HydrophobicContact CB-CB 3.71Å; C330-C372 WeakPolarHBondContact CB-SG 3.47Å; C330-C372 WeakPolarHBondContact SG-CB 3.41Å; C330-C372 CovalentContact SG-SG 2.03Å; C330-C372 PolarHBondContact SG-SG 3.26Å
331A95.6Very high95.6Very high15 Ų1543.9 Ų43.912%0.12427%0.27CS..EExtended strand (participates in β ladder)trans-124.8137.2-176.500000110.7L312 S313L312-A331 HydrophobicContact CB-CB 4.14Å; L312-A331 PolarHBondContact N-O 2.9Å; S313-A331 PolarHBondContact N-O 2.9Å; S313-A331 VanDerWaalsContact N-O 3.1Å; S313-A331 PolarHBondContact O-N 3.27Å
332W96.7Very high95.7Very high25 Ų2541.4 Ų41.410%0.09526%0.257CS..EExtended strand (participates in β ladder)trans-129.1159178.5-6082.3000110.2P309 R310 L311 C330 L338 L340 C372 A374 A382 R384P309-W332 HydrophobicContact CB-CD2 4.41Å; P309-W332 HydrophobicContact CB-CE3 3.76Å; P309-W332 HydrophobicContact CB-CZ3 4.26Å; R310-W332 CarbonylContact O-C 3.58Å; R310-W332 VanDerWaalsContact O-CA 3.24Å; R310-W332 WeakPolarHBondContact O-CA 3.5Å; L311-W332 HydrophobicContact CB-CD2 4.5Å; L311-W332 HydrophobicContact CB-CE3 4.01Å; L311-W332 HydrophobicContact CB-CH2 4.36Å; L311-W332 HydrophobicContact CB-CZ3 3.93Å; L311-W332 HydrophobicContact CD1-CD2 3.85Å; L311-W332 HydrophobicContact CD1-CE3 4.18Å; L311-W332 HydrophobicContact CD1-CG 4.42Å; L311-W332 HydrophobicContact CD1-CH2 4.07Å; L311-W332 HydrophobicContact CD1-CZ2 3.74Å; L311-W332 HydrophobicContact CD1-CZ3 4.27Å; C330-W332 PolarHBondContact SG-NE1 3.48Å; W332-L338 HydrophobicContact CB-CD2 3.63Å; W332-L340 HydrophobicContact CB-CD2 4.36Å; W332-L340 VanDerWaalsContact CD1-CD2 3.5Å; W332-L340 HydrophobicContact CG-CD2 4.17Å; W332-C372 PolarHBondContact NE1-SG 2.87Å; W332-A374 HydrophobicContact CB-CB 4.05Å; W332-A374 HydrophobicContact CD2-CB 3.61Å; W332-A374 HydrophobicContact CE3-CB 4.19Å; W332-A374 HydrophobicContact CG-CB 3.55Å; W332-A382 HydrophobicContact CE3-CB 4.34Å; W332-A382 HydrophobicContact CH2-CB 3.6Å; W332-A382 HydrophobicContact CZ3-CB 3.46Å; W332-A382 VanDerWaalsContact CZ3-CB 3.46Å; W332-R384 HydrophobicContact CH2-CG 4.12Å; W332-R384 HydrophobicContact CZ2-CB 4.18Å; W332-R384 HydrophobicContact CZ2-CG 3.97Å
333T95.6Very high95.9Very high30 Ų3038.9 Ų38.918%0.18425%0.245CC..EExtended strand (participates in β ladder)trans-125.1156.8165.7-175.40000109.9Y279 F307 P309 R310 L312Y279-T333 HydrophobicContact CE2-CG2 4.26Å; F307-T333 HydrophobicContact CE2-CG2 4.22Å; P309-T333 CarbonylContact C-O 3.1Å; P309-T333 WeakPolarHBondContact CA-O 3.33Å; R310-T333 HydrophobicContact CB-CG2 3.93Å; R310-T333 PolarHBondContact N-O 3.02Å; R310-T333 PolarHBondContact O-N 3.15Å; L312-T333 HydrophobicContact CD1-CG2 4.28Å; L312-T333 HydrophobicContact CD2-CG2 3.78Å; L312-T333 HydrophobicContact CG-CG2 3.94Å
334G95.7Very high96.1Very high13 Ų1339 Ų3913%0.13423%0.232CC..EExtended strand (participates in β ladder)trans-177.3150-17400000110.4P336G334-P336 CarbonylContact C-O 3.55Å
335N96.3Very high95.9Very high21 Ų2139.6 Ų39.611%0.11223%0.234CC..EExtended strand (participates in β ladder)trans-137.6123.5175.5-172.232.5000109.4F282 D304 V305 Q306 F307F282-N335 HydrophobicContact CE2-CB 4.05Å; F282-N335 WeakPolarHBondContact CE2-ND2 3.38Å; F282-N335 HydrophobicContact CZ-CB 4.24Å; D304-N335 PolarHBondContact OD1-ND2 2.83Å; V305-N335 WeakPolarHBondContact O-CB 3.37Å; V305-N335 PolarHBondContact O-ND2 3.46Å; Q306-N335 CarbonylContact C-O 3.51Å; Q306-N335 WeakPolarHBondContact CA-O 3.19Å; Q306-N335 WeakPolarHBondContact CB-O 3.13Å; F307-N335 HydrophobicContact CD1-CB 3.98Å; F307-N335 HydrophobicContact CE1-CB 3.53Å; F307-N335 HydrophobicContact CZ-CB 4Å; F307-N335 PolarHBondContact N-O 3.43Å; F307-N335 PolarHBondContact O-N 2.82Å
336P95.9Very high95.3Very high39 Ų3939.4 Ų39.425%0.25325%0.253SS..SBendcis-57.5168.7-1-2637000115.2G334 L338 V376G334-P336 CarbonylContact C-O 3.55Å; P336-L338 PolarHBondContact O-N 3.05Å; P336-V376 WeakPolarHBondContact O-CG1 3.32Å
337P94.9Very high95Very high106 Ų10641.6 Ų41.669%0.68827%0.268SS*.PPolyproline II helixtrans-51.9131.5-179.1-29.236.3000113.4P377P337-P377 WeakPolarHBondContact O-CD 3.27Å
338L96.4Very high94.6Very high42 Ų4244.9 Ų44.922%0.2229%0.288CS..PPolyproline II helixtrans-85.6159.3-176.965.783.6000113.1W332 P336 L340 I375 V376W332-L338 HydrophobicContact CB-CD2 3.63Å; P336-L338 PolarHBondContact O-N 3.05Å; L338-L340 HydrophobicContact CD1-CD2 3.53Å; L338-L340 HydrophobicContact CD1-CG 3.65Å; L338-I375 CarbonylContact C-O 3.5Å; L338-I375 WeakPolarHBondContact CA-O 3.41Å; L338-I375 WeakPolarHBondContact CB-O 3.48Å; L338-V376 HydrophobicContact CB-CG2 3.83Å
339T96Very high94.4Very high84 Ų8448.8 Ų48.852%0.51531%0.312SS..EExtended strand (participates in β ladder)trans-105.9148162.758.50000110.6A374 I375T339-A374 WeakPolarHBondContact O-CA 3.38Å; T339-I375 PolarHBondContact N-O 2.87Å; T339-I375 PolarHBondContact O-N 2.97Å
340L96.1Very high94.3Very high17 Ų1749.4 Ų49.49%0.08932%0.315CS..EExtended strand (participates in β ladder)trans-110.8145.6174.1-64.9178.7000110.6W332 L338 N353 N355 K373 A374W332-L340 HydrophobicContact CB-CD2 4.36Å; W332-L340 VanDerWaalsContact CD1-CD2 3.5Å; W332-L340 HydrophobicContact CG-CD2 4.17Å; L338-L340 HydrophobicContact CD1-CD2 3.53Å; L338-L340 HydrophobicContact CD1-CG 3.65Å; L340-N353 WeakPolarHBondContact O-CA 3.43Å; L340-N355 HydrophobicContact CD1-CB 4.47Å; L340-N355 WeakPolarHBondContact CD1-OD1 3.46Å; L340-K373 WeakPolarHBondContact CA-O 3.36Å; L340-A374 HydrophobicContact CD2-CB 3.69Å
341A96Very high94.3Very high20 Ų2053.1 Ų53.117%0.16534%0.335CS..EExtended strand (participates in β ladder)trans-141.3123.3169.200000109.9V350 K373A341-V350 HydrophobicContact CB-CG1 4.1Å; A341-V350 HydrophobicContact CB-CG2 4.14Å; A341-K373 PolarHBondContact N-O 3.21Å; A341-K373 PolarHBondContact O-N 2.8Å
342W97.3Very high94.3Very high0 Ų053.5 Ų53.50%034%0.337CS..EExtended strand (participates in β ladder)trans-91.6127.7165.2-73.291.7000109.7P315 F328 C330 V350 L351 S352 G354 L357 T371 C372 V386P315-W342 HydrophobicContact CB-CH2 4.02Å; F328-W342 HydrophobicContact CB-CH2 3.44Å; F328-W342 VanDerWaalsContact CB-CH2 3.44Å; F328-W342 HydrophobicContact CB-CZ2 4.16Å; F328-W342 HydrophobicContact CB-CZ3 3.87Å; F328-W342 HydrophobicContact CG-CH2 4.49Å; F328-W342 WeakPolarHBondContact O-CZ2 3.32Å; C330-W342 HydrophobicContact CB-CH2 3.57Å; C330-W342 HydrophobicContact CB-CZ2 3.28Å; W342-V350 CarbonylContact O-C 3.54Å; W342-V350 WeakPolarHBondContact O-CA 3.33Å; W342-L351 PolarHBondContact O-N 3.15Å; W342-S352 PolarHBondContact N-O 2.94Å; W342-G354 VanDerWaalsContact CD1-O 3.3Å; W342-G354 PolarHBondContact NE1-O 3.07Å; W342-L357 HydrophobicContact CB-CB 4.32Å; W342-L357 HydrophobicContact CB-CD1 4.45Å; W342-L357 HydrophobicContact CB-CD2 4.28Å; W342-L357 HydrophobicContact CD2-CB 3.58Å; W342-L357 HydrophobicContact CD2-CD2 4.24Å; W342-L357 HydrophobicContact CD2-CG 4.5Å; W342-L357 HydrophobicContact CE3-CB 3.95Å; W342-L357 HydrophobicContact CE3-CD2 3.93Å; W342-L357 HydrophobicContact CG-CB 3.78Å; W342-L357 HydrophobicContact CG-CD2 4.44Å; W342-L357 HydrophobicContact CZ2-CB 4.23Å; W342-L357 HydrophobicContact CZ3-CB 4.44Å; W342-T371 WeakPolarHBondContact CA-O 3.15Å; W342-C372 HydrophobicContact CD2-CB 4.15Å; W342-C372 HydrophobicContact CE3-CB 3.9Å; W342-C372 HydrophobicContact CH2-CB 3.9Å; W342-C372 HydrophobicContact CZ2-CB 4.16Å; W342-C372 HydrophobicContact CZ3-CB 3.76Å; W342-V386 HydrophobicContact CZ3-CG1 3.97Å
343T96.9Very high94.2Very high25 Ų2558.7 Ų58.715%0.15337%0.366CS..EExtended strand (participates in β ladder)trans-125.5161.9171.158.30000110.2V350 Y370 T371T343-V350 HydrophobicContact CG2-CG2 4.49Å; T343-Y370 CarbonylContact O-C 3.48Å; T343-Y370 WeakPolarHBondContact O-CA 3.22Å; T343-T371 PolarHBondContact N-O 3.44Å; T343-T371 PolarHBondContact O-N 3.28Å
344K95.2Very high94.1Very high47 Ų4758.5 Ų58.520%0.20437%0.37CS..EExtended strand (participates in β ladder)trans-88.8138.6163.6-173.6165.6-179.2157.60108.5G346 S347 L351 E365 D366 A367 Y370K344-G346 PolarHBondContact O-N 3.36Å; K344-S347 WeakPolarHBondContact O-CA 3.32Å; K344-S347 WeakPolarHBondContact O-CB 3.47Å; K344-S347 PolarHBondContact O-N 2.7Å; K344-L351 HydrophobicContact CB-CD1 4.2Å; K344-E365 PolarHBondContact NZ-O 3Å; K344-D366 PolarHBondContact NZ-O 3.36Å; K344-A367 WeakPolarHBondContact CE-O 3.47Å; K344-A367 PolarHBondContact NZ-O 2.98Å; K344-Y370 HydrophobicContact CB-CD1 4.13Å; K344-Y370 HydrophobicContact CB-CE1 3.99Å; K344-Y370 HydrophobicContact CD-CE1 4.18Å; K344-Y370 HydrophobicContact CG-CD1 4.43Å; K344-Y370 HydrophobicContact CG-CE1 4.17Å
345H91.8Very high94.1Very high132 Ų13261.8 Ų61.861%0.61138%0.384SS*.THydrogen-bonded Turntrans-56.2126.2-177.8178-87.4000111.1T369H345-T369 HydrophobicContact CB-CG2 4.34Å; H345-T369 WeakPolarHBondContact CB-O 3.42Å; H345-T369 PolarHBondContact N-O 3.11Å
346G83.1Confident94Very high85 Ų8563.1 Ų63.188%0.87639%0.394SS*.THydrogen-bonded Turntrans86.7-1.2-172.900000115.6K344K344-G346 PolarHBondContact O-N 3.36Å
347S90.4Very high94.1Very high51 Ų5161.4 Ų61.436%0.35738%0.382SS..  trans-114.6139.3174.9-176.40000111.9K344 V349K344-S347 WeakPolarHBondContact O-CA 3.32Å; K344-S347 WeakPolarHBondContact O-CB 3.47Å; K344-S347 PolarHBondContact O-N 2.7Å; S347-V349 VanDerWaalsContact C-N 3.34Å; S347-V349 PolarHBondContact OG-N 3.43Å
348S87.9Confident94.1Very high117 Ų11762.4 Ų62.482%0.81838%0.378SS*.  trans-86.4-3.2171.154.50000113.5V350S348-V350 PolarHBondContact O-N 3.47Å
349V92.9Very high94.1Very high86 Ų8661.4 Ų61.452%0.52137%0.373SS..  trans-77.3122.1-178.6-177.60000110.3S347 L351S347-V349 VanDerWaalsContact C-N 3.34Å; S347-V349 PolarHBondContact OG-N 3.43Å; V349-L351 HydrophobicContact CG1-CD2 4.3Å
350V94.7Very high94.1Very high83 Ų8364.5 Ų64.550%0.50338%0.379SS..EExtended strand (participates in β ladder)trans-77121.1173.1-177.60000109.6A341 W342 T343 S348 S352A341-V350 HydrophobicContact CB-CG1 4.1Å; A341-V350 HydrophobicContact CB-CG2 4.14Å; W342-V350 CarbonylContact O-C 3.54Å; W342-V350 WeakPolarHBondContact O-CA 3.33Å; T343-V350 HydrophobicContact CG2-CG2 4.49Å; S348-V350 PolarHBondContact O-N 3.47Å; V350-S352 WeakPolarHBondContact CG1-O 3.36Å
351L94.9Very high94Very high77 Ų7766.3 Ų66.340%0.40340%0.396SS..EExtended strand (participates in β ladder)trans-94.7-28-176.9-56.5176.9000112.9W342 K344 V349 L357 Y370W342-L351 PolarHBondContact O-N 3.15Å; K344-L351 HydrophobicContact CB-CD1 4.2Å; V349-L351 HydrophobicContact CG1-CD2 4.3Å; L351-L357 HydrophobicContact CB-CD1 3.66Å; L351-L357 HydrophobicContact CD1-CD2 4.43Å; L351-Y370 HydrophobicContact CD1-CD1 3.87Å; L351-Y370 HydrophobicContact CD1-CE1 3.55Å
352S95.3Very high94Very high24 Ų2465.4 Ų65.417%0.16839%0.389CS..EExtended strand (participates in β ladder)trans-155.4147.4174.4174.30000109.5W342 V350 G354 T356W342-S352 PolarHBondContact N-O 2.94Å; V350-S352 WeakPolarHBondContact CG1-O 3.36Å; S352-G354 PolarHBondContact OG-N 3Å; S352-T356 PolarHBondContact OG-O 2.91Å
353N94.6Very high93.8Very high134 Ų13467.7 Ų67.772%0.71740%0.403SS*.SBendtrans-111.79.6174.566.5-24.3000113.2L340L340-N353 WeakPolarHBondContact O-CA 3.43Å
354G94Very high93.3Very high25 Ų2569.4 Ų69.426%0.25841%0.409SS..SBendtrans-111.6175.6178.200000113.3W342 S352 T356W342-G354 VanDerWaalsContact CD1-O 3.3Å; W342-G354 PolarHBondContact NE1-O 3.07Å; S352-G354 PolarHBondContact OG-N 3Å; G354-T356 PolarHBondContact O-N 3.42Å
355N94.6Very high93Very high82 Ų8275.1 Ų75.144%0.43944%0.436SS..SBendtrans-62.9-7.7179.2-59.438.3000114.1T329 C330 L340T329-N355 CarbonylContact C-O 3.57Å; T329-N355 WeakPolarHBondContact CA-O 3.31Å; C330-N355 PolarHBondContact N-O 3.08Å; C330-N355 CarbonylContact O-C 3.6Å; C330-N355 VanDerWaalsContact O-CA 3.25Å; C330-N355 WeakPolarHBondContact O-CA 3.45Å; C330-N355 WeakPolarHBondContact O-CB 3.39Å; L340-N355 HydrophobicContact CD1-CB 4.47Å; L340-N355 WeakPolarHBondContact CD1-OD1 3.46Å
356T95.8Very high93.1Very high50 Ų5070.8 Ų70.831%0.30742%0.417SS..EExtended strand (participates in β ladder)trans-130.5133.7177.4-57.80000110.6A327 F328 T329 S352 G354 Q358A327-T356 HydrophobicContact CB-CG2 4.32Å; F328-T356 CarbonylContact O-C 3.59Å; F328-T356 VanDerWaalsContact O-CA 3.23Å; F328-T356 WeakPolarHBondContact O-CA 3.46Å; F328-T356 WeakPolarHBondContact O-CG2 3.25Å; T329-T356 PolarHBondContact OG1-OG1 3.16Å; S352-T356 PolarHBondContact OG-O 2.91Å; G354-T356 PolarHBondContact O-N 3.42Å; T356-Q358 HydrophobicContact CG2-CG 3.98Å
357L96.5Very high93.5Very high2 Ų268.3 Ų68.31%0.0139%0.389CS..EExtended strand (participates in β ladder)trans-97.7123.8162.3172.762.2000107.9A327 F328 W342 L351 L359 Y370A327-L357 CarbonylContact C-O 3.59Å; A327-L357 VanDerWaalsContact CA-O 3.3Å; A327-L357 WeakPolarHBondContact CA-O 3.41Å; F328-L357 HydrophobicContact CD2-CD2 4.47Å; F328-L357 PolarHBondContact N-O 2.85Å; F328-L357 PolarHBondContact O-N 2.89Å; W342-L357 HydrophobicContact CB-CB 4.32Å; W342-L357 HydrophobicContact CB-CD1 4.45Å; W342-L357 HydrophobicContact CB-CD2 4.28Å; W342-L357 HydrophobicContact CD2-CB 3.58Å; W342-L357 HydrophobicContact CD2-CD2 4.24Å; W342-L357 HydrophobicContact CD2-CG 4.5Å; W342-L357 HydrophobicContact CE3-CB 3.95Å; W342-L357 HydrophobicContact CE3-CD2 3.93Å; W342-L357 HydrophobicContact CG-CB 3.78Å; W342-L357 HydrophobicContact CG-CD2 4.44Å; W342-L357 HydrophobicContact CZ2-CB 4.23Å; W342-L357 HydrophobicContact CZ3-CB 4.44Å; L351-L357 HydrophobicContact CB-CD1 3.66Å; L351-L357 HydrophobicContact CD1-CD2 4.43Å; L357-L359 HydrophobicContact CD1-CD2 4.11Å; L357-L359 HydrophobicContact CD2-CD1 4.47Å; L357-L359 HydrophobicContact CD2-CD2 4.41Å; L357-L359 HydrophobicContact CD2-CG 4.45Å; L357-L359 HydrophobicContact CG-CD2 4.28Å; L357-L359 HydrophobicContact CG-CG 4.23Å; L357-Y370 HydrophobicContact CD2-CD1 3.49Å; L357-Y370 VanDerWaalsContact CD2-CD1 3.49Å; L357-Y370 HydrophobicContact CD2-CE1 3.95Å; L357-Y370 HydrophobicContact CD2-CG 4.14Å
358Q96.5Very high93.6Very high128 Ų12867.3 Ų67.360%0.59839%0.387SS*.EExtended strand (participates in β ladder)trans-109.3132.2169.8-67.3-170.1-400109.7A326 A327 T356A326-Q358 WeakPolarHBondContact O-CA 3.41Å; A327-Q358 HydrophobicContact CB-CG 4.25Å; T356-Q358 HydrophobicContact CG2-CG 3.98Å
359L96.2Very high94.1Very high21 Ų2163.9 Ų63.911%0.1136%0.361CS..EExtended strand (participates in β ladder)trans-118.6126.6174.5-58.2168.2000106.7D325 A326 L357 V362 Y370 L388D325-L359 CarbonylContact C-O 3.51Å; D325-L359 WeakPolarHBondContact CA-O 3.37Å; A326-L359 HydrophobicContact CB-CB 4.45Å; A326-L359 PolarHBondContact N-O 2.76Å; A326-L359 PolarHBondContact O-N 2.92Å; L357-L359 HydrophobicContact CD1-CD2 4.11Å; L357-L359 HydrophobicContact CD2-CD1 4.47Å; L357-L359 HydrophobicContact CD2-CD2 4.41Å; L357-L359 HydrophobicContact CD2-CG 4.45Å; L357-L359 HydrophobicContact CG-CD2 4.28Å; L357-L359 HydrophobicContact CG-CG 4.23Å; L359-V362 HydrophobicContact CB-CG2 3.77Å; L359-Y370 HydrophobicContact CD1-CE1 3.97Å; L359-Y370 HydrophobicContact CD1-CE2 4.1Å; L359-Y370 WeakPolarHBondContact CD1-OH 3.36Å; L359-Y370 HydrophobicContact CD2-CE1 4.37Å; L359-L388 HydrophobicContact CD1-CD2 3.67Å
360K95.1Very high94.2Very high149 Ų14959.9 Ų59.965%0.64834%0.337SS*.SBendtrans-107.4141.1-173.4-65.5-164.2170.4-1740111.9D325 V362D325-K360 WeakPolarHBondContact OD1-CA 3.48Å; K360-V362 VanDerWaalsContact C-N 3.29Å; K360-V362 PolarHBondContact O-N 2.87Å
361A94.3Very high94.3Very high55 Ų5556.6 Ų56.646%0.45532%0.316SS..SBendtrans47.550.6-177.900000113.1D325 T363D325-A361 PolarHBondContact OD1-N 2.96Å; A361-T363 PolarHBondContact O-N 3.42Å
362V95.7Very high94.4Very high1 Ų153 Ų531%0.00630%0.298CS..  trans-51.5132.2-167.4172.50000112.7I322 G323 M324 A326 L359 K360 D366 L388 V390I322-V362 WeakPolarHBondContact CG1-O 3.23Å; G323-V362 PolarHBondContact N-O 2.7Å; M324-V362 VanDerWaalsContact O-CB 3.31Å; M324-V362 WeakPolarHBondContact O-CB 3.15Å; M324-V362 VanDerWaalsContact O-CG2 3.31Å; M324-V362 WeakPolarHBondContact O-CG2 3.37Å; M324-V362 PolarHBondContact O-N 2.99Å; A326-V362 HydrophobicContact CB-CG2 3.77Å; L359-V362 HydrophobicContact CB-CG2 3.77Å; K360-V362 VanDerWaalsContact C-N 3.29Å; K360-V362 PolarHBondContact O-N 2.87Å; V362-D366 HydrophobicContact CG1-CB 3.86Å; V362-L388 HydrophobicContact CG1-CD2 3.96Å; V362-V390 HydrophobicContact CG1-CB 4.42Å; V362-V390 HydrophobicContact CG1-CG1 4.08Å; V362-V390 HydrophobicContact CG1-CG2 3.43Å; V362-V390 VanDerWaalsContact CG1-CG2 3.43Å
363T92.9Very high94.4Very high48 Ų4855 Ų5529%0.29430%0.304SS..  trans-106.5171.4-174.669.50000112.2A361 E365 D366A361-T363 PolarHBondContact O-N 3.42Å; T363-E365 PolarHBondContact O-N 3.09Å; T363-E365 WeakPolarHBondContact OG1-CG 3.49Å; T363-D366 WeakPolarHBondContact CB-OD2 3.16Å; T363-D366 PolarHBondContact N-OD2 2.88Å; T363-D366 WeakPolarHBondContact O-CB 3.45Å; T363-D366 PolarHBondContact O-N 3Å; T363-D366 PolarHBondContact OG1-N 2.77Å; T363-D366 PolarHBondContact OG1-OD2 2.88Å
364Q87.5Confident94.6Very high61 Ų6148.7 Ų48.729%0.28527%0.27SS..THydrogen-bonded Turntrans-66.7-25.3178-16264.273.700113.2A367 V390 I395Q364-A367 WeakPolarHBondContact O-CB 3.33Å; Q364-V390 PolarHBondContact NE2-O 3.45Å; Q364-I395 HydrophobicContact CG-CD1 3.67Å; Q364-I395 HydrophobicContact CG-CG1 4.41Å
365E88.9Confident94.7Very high166 Ų16650.4 Ų50.478%0.77627%0.272SS*.THydrogen-bonded Turntrans-79.8-16.5175.955.9-179.9-166.300113.3K344 T363 A367K344-E365 PolarHBondContact NZ-O 3Å; T363-E365 PolarHBondContact O-N 3.09Å; T363-E365 WeakPolarHBondContact OG1-CG 3.49Å; E365-A367 VanDerWaalsContact C-N 3.31Å
366D92.6Very high94.8Very high41 Ų4146.6 Ų46.622%0.21925%0.252CS..THydrogen-bonded Turntrans-72.2-21.6170-69.4-63.1000112.8K344 V362 T363 Y370 L388K344-D366 PolarHBondContact NZ-O 3.36Å; V362-D366 HydrophobicContact CG1-CB 3.86Å; T363-D366 WeakPolarHBondContact CB-OD2 3.16Å; T363-D366 PolarHBondContact N-OD2 2.88Å; T363-D366 WeakPolarHBondContact O-CB 3.45Å; T363-D366 PolarHBondContact O-N 3Å; T363-D366 PolarHBondContact OG1-N 2.77Å; T363-D366 PolarHBondContact OG1-OD2 2.88Å; D366-Y370 WeakPolarHBondContact O-CE2 3.01Å; D366-Y370 PolarHBondContact O-OH 2.75Å; D366-L388 HydrophobicContact CB-CD2 4.25Å
367A91.8Very high94.8Very high33 Ų3347.4 Ų47.427%0.27326%0.258SS..  trans-55.3145.1177.500000113.2K344 Q364 E365 L388 V390K344-A367 WeakPolarHBondContact CE-O 3.47Å; K344-A367 PolarHBondContact NZ-O 2.98Å; Q364-A367 WeakPolarHBondContact O-CB 3.33Å; E365-A367 VanDerWaalsContact C-N 3.31Å; A367-L388 WeakPolarHBondContact CA-O 3.46Å; A367-V390 HydrophobicContact CB-CB 4.14Å; A367-V390 HydrophobicContact CB-CG2 3.85Å
368G93.1Very high94.6Very high31 Ų3159.5 Ų59.532%0.3230%0.304SS..EExtended strand (participates in β ladder)trans130.6-166.817800000114.3L388G368-L388 PolarHBondContact N-O 2.98Å; G368-L388 PolarHBondContact O-N 2.87Å
369T97.1Very high94.5Very high44 Ų4456.4 Ų56.427%0.2729%0.29SS..EExtended strand (participates in β ladder)trans-88.6137.3-177.7-48.20000111.7H345 D385 V386 T387H345-T369 HydrophobicContact CB-CG2 4.34Å; H345-T369 WeakPolarHBondContact CB-O 3.42Å; H345-T369 PolarHBondContact N-O 3.11Å; T369-D385 HydrophobicContact CG2-CB 3.71Å; T369-V386 CarbonylContact C-O 3.59Å; T369-V386 WeakPolarHBondContact CA-O 3.43Å; T369-T387 HydrophobicContact CG2-CG2 4.48Å
370Y97.1Very high94.4Very high3 Ų356.6 Ų56.61%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-117.8136.8173.1-70.8-95.7000109.6F328 T343 K344 L351 L357 L359 D366 D385 V386 L388F328-Y370 HydrophobicContact CE2-CD2 4.05Å; F328-Y370 HydrophobicContact CE2-CG 4.48Å; T343-Y370 CarbonylContact O-C 3.48Å; T343-Y370 WeakPolarHBondContact O-CA 3.22Å; K344-Y370 HydrophobicContact CB-CD1 4.13Å; K344-Y370 HydrophobicContact CB-CE1 3.99Å; K344-Y370 HydrophobicContact CD-CE1 4.18Å; K344-Y370 HydrophobicContact CG-CD1 4.43Å; K344-Y370 HydrophobicContact CG-CE1 4.17Å; L351-Y370 HydrophobicContact CD1-CD1 3.87Å; L351-Y370 HydrophobicContact CD1-CE1 3.55Å; L357-Y370 HydrophobicContact CD2-CD1 3.49Å; L357-Y370 VanDerWaalsContact CD2-CD1 3.49Å; L357-Y370 HydrophobicContact CD2-CE1 3.95Å; L357-Y370 HydrophobicContact CD2-CG 4.14Å; L359-Y370 HydrophobicContact CD1-CE1 3.97Å; L359-Y370 HydrophobicContact CD1-CE2 4.1Å; L359-Y370 WeakPolarHBondContact CD1-OH 3.36Å; L359-Y370 HydrophobicContact CD2-CE1 4.37Å; D366-Y370 WeakPolarHBondContact O-CE2 3.01Å; D366-Y370 PolarHBondContact O-OH 2.75Å; Y370-D385 CarbonylContact O-C 3.56Å; Y370-D385 WeakPolarHBondContact O-CA 3.42Å; Y370-V386 PolarHBondContact N-O 2.89Å; Y370-V386 PolarHBondContact O-N 2.96Å; Y370-L388 HydrophobicContact CD2-CB 4.12Å; Y370-L388 HydrophobicContact CE2-CB 3.83Å; Y370-L388 HydrophobicContact CE2-CD2 3.96Å
371T96.8Very high94.4Very high13 Ų1353.5 Ų53.58%0.0829%0.291CS..EExtended strand (participates in β ladder)trans-108.4121.6-177.2-52.50000109.3W342 T343 E383 D385W342-T371 WeakPolarHBondContact CA-O 3.15Å; T343-T371 PolarHBondContact N-O 3.44Å; T343-T371 PolarHBondContact O-N 3.28Å; T371-E383 HydrophobicContact CG2-CB 3.93Å; T371-E383 HydrophobicContact CG2-CG 4.34Å; T371-D385 WeakPolarHBondContact CA-OD1 3.39Å; T371-D385 VanDerWaalsContact CB-OD1 3.28Å; T371-D385 WeakPolarHBondContact CB-OD1 3.32Å; T371-D385 WeakPolarHBondContact CG2-OD1 3.45Å; T371-D385 PolarHBondContact OG1-OD1 3.46Å
372C96.4Very high94.6Very high1 Ų152.1 Ų52.11%0.00728%0.28CS..EExtended strand (participates in β ladder)trans-92.9108.6168.81730000109C330 W332 W342 E383 R384C330-C372 HydrophobicContact CB-CB 3.71Å; C330-C372 WeakPolarHBondContact CB-SG 3.47Å; C330-C372 WeakPolarHBondContact SG-CB 3.41Å; C330-C372 CovalentContact SG-SG 2.03Å; C330-C372 PolarHBondContact SG-SG 3.26Å; W332-C372 PolarHBondContact NE1-SG 2.87Å; W342-C372 HydrophobicContact CD2-CB 4.15Å; W342-C372 HydrophobicContact CE3-CB 3.9Å; W342-C372 HydrophobicContact CH2-CB 3.9Å; W342-C372 HydrophobicContact CZ2-CB 4.16Å; W342-C372 HydrophobicContact CZ3-CB 3.76Å; C372-E383 CarbonylContact O-C 3.58Å; C372-E383 VanDerWaalsContact O-CA 3.25Å; C372-E383 WeakPolarHBondContact O-CA 3Å; C372-R384 PolarHBondContact N-O 2.81Å; C372-R384 PolarHBondContact O-N 2.83Å
373K95.5Very high94.6Very high68 Ų6856.3 Ų56.330%0.29630%0.299SS..EExtended strand (participates in β ladder)trans-108.6134.8-177.4-166.1176.7-166.6940110.8L340 A341 V381 E383L340-K373 WeakPolarHBondContact CA-O 3.36Å; A341-K373 PolarHBondContact N-O 3.21Å; A341-K373 PolarHBondContact O-N 2.8Å; K373-V381 HydrophobicContact CG-CG1 4.18Å; K373-E383 HydrophobicContact CB-CB 4.25Å; K373-E383 HydrophobicContact CG-CB 4.19Å; K373-E383 VanDerWaalsContact NZ-CD 3.35Å; K373-E383 IonicContact NZ-OE1 3.92Å; K373-E383 PolarHBondContact NZ-OE1 2.79Å; K373-E383 IonicContact NZ-OE2 3.75Å; K373-E383 PolarHBondContact NZ-OE2 2.88Å
374A97.8Very high94.7Very high0 Ų059.3 Ų59.30%031%0.305CS..EExtended strand (participates in β ladder)trans-122.7137.4177.200000110.9P309 W332 T339 L340 V381 A382P309-A374 HydrophobicContact CB-CB 3.72Å; P309-A374 HydrophobicContact CG-CB 4.14Å; P309-A374 WeakPolarHBondContact CG-O 3.47Å; W332-A374 HydrophobicContact CB-CB 4.05Å; W332-A374 HydrophobicContact CD2-CB 3.61Å; W332-A374 HydrophobicContact CE3-CB 4.19Å; W332-A374 HydrophobicContact CG-CB 3.55Å; T339-A374 WeakPolarHBondContact O-CA 3.38Å; L340-A374 HydrophobicContact CD2-CB 3.69Å; A374-V381 WeakPolarHBondContact O-CA 3.44Å; A374-A382 PolarHBondContact N-O 3.43Å; A374-A382 PolarHBondContact O-N 2.85Å
375I96.4Very high95.2Very high62 Ų6260.7 Ų60.732%0.31832%0.315SS..EExtended strand (participates in β ladder)trans-130.8116.3-174.2-59173.5000108.8L338 T339 V381L338-I375 CarbonylContact C-O 3.5Å; L338-I375 WeakPolarHBondContact CA-O 3.41Å; L338-I375 WeakPolarHBondContact CB-O 3.48Å; T339-I375 PolarHBondContact N-O 2.87Å; T339-I375 PolarHBondContact O-N 2.97Å; I375-V381 HydrophobicContact CB-CG2 4.47Å; I375-V381 HydrophobicContact CG1-CG1 4.13Å; I375-V381 HydrophobicContact CG1-CG2 4.11Å; I375-V381 HydrophobicContact CG2-CG2 4.19Å
376V97.4Very high95.6Very high2 Ų253 Ų531%0.01228%0.279CS..EExtended strand (participates in β ladder)trans-94.5116.8166.4173.90000108.1P309 P336 L338 R378 I379 G380P309-V376 HydrophobicContact CB-CG2 4.5Å; P309-V376 HydrophobicContact CG-CB 4.45Å; P309-V376 HydrophobicContact CG-CG2 3.91Å; P336-V376 WeakPolarHBondContact O-CG1 3.32Å; L338-V376 HydrophobicContact CB-CG2 3.83Å; V376-R378 PolarHBondContact O-N 3.22Å; V376-I379 HydrophobicContact CB-CB 4.2Å; V376-I379 HydrophobicContact CG1-CB 3.6Å; V376-I379 HydrophobicContact CG1-CG1 3.64Å; V376-I379 PolarHBondContact O-N 2.83Å; V376-I379 VanDerWaalsContact O-N 3.13Å; V376-G380 PolarHBondContact N-O 2.89Å; V376-G380 PolarHBondContact O-N 3.15Å
377P95.4Very high95.8Very high67 Ų6753.9 Ų53.944%0.43529%0.286SS..THydrogen-bonded Turntrans-53.4123.4-176-28.535.8000113.4P337 I379P337-P377 WeakPolarHBondContact O-CD 3.27Å; P377-I379 PolarHBondContact O-N 2.96Å; P377-I379 VanDerWaalsContact O-N 3.11Å
378R92.2Very high96Very high255 Ų25552.5 Ų52.596%0.96227%0.274SS*.THydrogen-bonded Turntrans61.22.5-178.3-55.4-168.9-63.4-118.21117.2V376V376-R378 PolarHBondContact O-N 3.22Å
379I94Very high96Very high63 Ų6353.5 Ų53.532%0.32327%0.274SS..THydrogen-bonded Turntrans-107.4-44.6176.5-49.5-62.1000112.2Q306 V376 P377Q306-I379 HydrophobicContact CB-CD1 4.21Å; V376-I379 HydrophobicContact CB-CB 4.2Å; V376-I379 HydrophobicContact CG1-CB 3.6Å; V376-I379 HydrophobicContact CG1-CG1 3.64Å; V376-I379 PolarHBondContact O-N 2.83Å; V376-I379 VanDerWaalsContact O-N 3.13Å; P377-I379 PolarHBondContact O-N 2.96Å; P377-I379 VanDerWaalsContact O-N 3.11Å
380G94.2Very high95.8Very high25 Ų2551.5 Ų51.526%0.25826%0.261SS..EExtended strand (participates in β ladder)trans172.4173.2-178.700000116V376V376-G380 PolarHBondContact N-O 2.89Å; V376-G380 PolarHBondContact O-N 3.15Å
381V96.3Very high95.6Very high84 Ų8452.5 Ų52.551%0.50927%0.267SS..EExtended strand (participates in β ladder)trans-134.6140.6-177.9179.90000108.5K373 A374 I375K373-V381 HydrophobicContact CG-CG1 4.18Å; A374-V381 WeakPolarHBondContact O-CA 3.44Å; I375-V381 HydrophobicContact CB-CG2 4.47Å; I375-V381 HydrophobicContact CG1-CG1 4.13Å; I375-V381 HydrophobicContact CG1-CG2 4.11Å; I375-V381 HydrophobicContact CG2-CG2 4.19Å
382A96.9Very high95.3Very high27 Ų2751.9 Ų51.922%0.22326%0.263CS..EExtended strand (participates in β ladder)trans-143.8157173.100000110.5P309 W332 A374P309-A382 HydrophobicContact CB-CB 4.05Å; P309-A382 HydrophobicContact CG-CB 4.24Å; W332-A382 HydrophobicContact CE3-CB 4.34Å; W332-A382 HydrophobicContact CH2-CB 3.6Å; W332-A382 HydrophobicContact CZ3-CB 3.46Å; W332-A382 VanDerWaalsContact CZ3-CB 3.46Å; A374-A382 PolarHBondContact N-O 3.43Å; A374-A382 PolarHBondContact O-N 2.85Å
383E95.7Very high95.1Very high89 Ų8954.3 Ų54.342%0.41628%0.279SS..EExtended strand (participates in β ladder)trans-147.6157.4-179.159.1-154.6155.700113.9T371 C372 K373T371-E383 HydrophobicContact CG2-CB 3.93Å; T371-E383 HydrophobicContact CG2-CG 4.34Å; C372-E383 CarbonylContact O-C 3.58Å; C372-E383 VanDerWaalsContact O-CA 3.25Å; C372-E383 WeakPolarHBondContact O-CA 3Å; K373-E383 HydrophobicContact CB-CB 4.25Å; K373-E383 HydrophobicContact CG-CB 4.19Å; K373-E383 VanDerWaalsContact NZ-CD 3.35Å; K373-E383 IonicContact NZ-OE1 3.92Å; K373-E383 PolarHBondContact NZ-OE1 2.79Å; K373-E383 IonicContact NZ-OE2 3.75Å; K373-E383 PolarHBondContact NZ-OE2 2.88Å
384R96.4Very high94.9Very high111 Ų11151.3 Ų51.342%0.41927%0.266SS..EExtended strand (participates in β ladder)trans-140.1128.4177.8-84.7-68-175.1-95.87.4110.7L311 E314 P315 W332 C372L311-R384 HydrophobicContact CD1-CG 4.28Å; L311-R384 HydrophobicContact CD2-CG 3.92Å; E314-R384 WeakPolarHBondContact OE1-CD 3.2Å; E314-R384 IonicContact OE1-CZ 3.61Å; E314-R384 IonicContact OE1-NE 3.78Å; E314-R384 PolarHBondContact OE1-NE 2.9Å; E314-R384 IonicContact OE1-NH2 3.74Å; P315-R384 HydrophobicContact CG-CB 4.18Å; W332-R384 HydrophobicContact CH2-CG 4.12Å; W332-R384 HydrophobicContact CZ2-CB 4.18Å; W332-R384 HydrophobicContact CZ2-CG 3.97Å; C372-R384 PolarHBondContact N-O 2.81Å; C372-R384 PolarHBondContact O-N 2.83Å
385D96.4Very high94.6Very high90 Ų9055.3 Ų55.348%0.48129%0.287SS..EExtended strand (participates in β ladder)trans-91.6147.6176.7-71-36.6000112T369 Y370 T371T369-D385 HydrophobicContact CG2-CB 3.71Å; Y370-D385 CarbonylContact O-C 3.56Å; Y370-D385 WeakPolarHBondContact O-CA 3.42Å; T371-D385 WeakPolarHBondContact CA-OD1 3.39Å; T371-D385 VanDerWaalsContact CB-OD1 3.28Å; T371-D385 WeakPolarHBondContact CB-OD1 3.32Å; T371-D385 WeakPolarHBondContact CG2-OD1 3.45Å; T371-D385 PolarHBondContact OG1-OD1 3.46Å
386V97.3Very high94.4Very high4 Ų453.6 Ų53.62%0.02428%0.278CS..EExtended strand (participates in β ladder)trans-143.6141.8175.369.90000110.5P315 K316 P317 F328 W342 T369 Y370P315-V386 HydrophobicContact CB-CB 3.87Å; P315-V386 HydrophobicContact CB-CG1 4.03Å; P315-V386 HydrophobicContact CB-CG2 4.05Å; P315-V386 HydrophobicContact CG-CB 4.08Å; P315-V386 HydrophobicContact CG-CG1 4.43Å; K316-V386 VanDerWaalsContact O-CG2 3.26Å; K316-V386 WeakPolarHBondContact O-CG2 3.36Å; P317-V386 HydrophobicContact CG-CG2 4.45Å; F328-V386 HydrophobicContact CB-CG1 4.36Å; F328-V386 HydrophobicContact CD1-CB 4.39Å; F328-V386 HydrophobicContact CD1-CG1 3.77Å; F328-V386 HydrophobicContact CD1-CG2 3.68Å; F328-V386 HydrophobicContact CD2-CG1 4.06Å; F328-V386 HydrophobicContact CE1-CB 4.41Å; F328-V386 HydrophobicContact CE1-CG1 3.97Å; F328-V386 HydrophobicContact CE1-CG2 3.54Å; F328-V386 HydrophobicContact CE2-CG1 4.25Å; F328-V386 HydrophobicContact CG-CG1 3.82Å; F328-V386 HydrophobicContact CZ-CG1 4.21Å; F328-V386 HydrophobicContact CZ-CG2 4.31Å; W342-V386 HydrophobicContact CZ3-CG1 3.97Å; T369-V386 CarbonylContact C-O 3.59Å; T369-V386 WeakPolarHBondContact CA-O 3.43Å; Y370-V386 PolarHBondContact N-O 2.89Å; Y370-V386 PolarHBondContact O-N 2.96Å
387T96.9Very high94.1Very high60 Ų6058 Ų5837%0.36831%0.305SS..EExtended strand (participates in β ladder)trans-100.4134.4-178.345.20000112.7P317 M318 T369P317-T387 WeakPolarHBondContact CA-O 3.25Å; M318-T387 PolarHBondContact N-O 3.45Å; M318-T387 VanDerWaalsContact N-O 3.07Å; T369-T387 HydrophobicContact CG2-CG2 4.48Å
388L96.4Very high93.9Very high4 Ų456.3 Ų56.32%0.02130%0.297CS..EExtended strand (participates in β ladder)trans-101.7115.4166.7-17461.6000109.6M318 V320 A326 F328 L359 V362 D366 A367 G368 Y370 V390M318-L388 HydrophobicContact CB-CD1 4.44Å; V320-L388 HydrophobicContact CB-CD1 4.45Å; V320-L388 HydrophobicContact CG2-CD1 4Å; A326-L388 HydrophobicContact CB-CD1 4Å; F328-L388 HydrophobicContact CE2-CB 3.92Å; F328-L388 HydrophobicContact CE2-CD1 4.2Å; F328-L388 HydrophobicContact CE2-CG 4.45Å; F328-L388 HydrophobicContact CZ-CB 3.73Å; F328-L388 HydrophobicContact CZ-CD1 3.89Å; F328-L388 HydrophobicContact CZ-CG 4.35Å; L359-L388 HydrophobicContact CD1-CD2 3.67Å; V362-L388 HydrophobicContact CG1-CD2 3.96Å; D366-L388 HydrophobicContact CB-CD2 4.25Å; A367-L388 WeakPolarHBondContact CA-O 3.46Å; G368-L388 PolarHBondContact N-O 2.98Å; G368-L388 PolarHBondContact O-N 2.87Å; Y370-L388 HydrophobicContact CD2-CB 4.12Å; Y370-L388 HydrophobicContact CE2-CB 3.83Å; Y370-L388 HydrophobicContact CE2-CD2 3.96Å; L388-V390 HydrophobicContact CD2-CG2 4.14Å; L388-V390 HydrophobicContact CG-CG2 3.99Å
389T93.4Very high93.8Very high51 Ų5149.9 Ų49.931%0.31328%0.282SS..EExtended strand (participates in β ladder)trans-96.7123.2168.4-55.80000108.4M318 T319 V320M318-T389 PolarHBondContact O-N 2.91Å; T319-T389 CarbonylContact C-O 3.54Å; T319-T389 VanDerWaalsContact CA-O 3.27Å; T319-T389 WeakPolarHBondContact CA-O 3.17Å; T319-T389 HydrophobicContact CG2-CG2 4.02Å; V320-T389 PolarHBondContact N-O 2.72Å
390V93.9Very high93.6Very high2 Ų250 Ų501%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-104.9119.4176.9-174.60000109V320 I322 V362 Q364 A367 L388V320-V390 CarbonylContact O-C 3.52Å; V320-V390 WeakPolarHBondContact O-CA 3.32Å; I322-V390 HydrophobicContact CB-CG1 4.23Å; V362-V390 HydrophobicContact CG1-CB 4.42Å; V362-V390 HydrophobicContact CG1-CG1 4.08Å; V362-V390 HydrophobicContact CG1-CG2 3.43Å; V362-V390 VanDerWaalsContact CG1-CG2 3.43Å; Q364-V390 PolarHBondContact NE2-O 3.45Å; A367-V390 HydrophobicContact CB-CB 4.14Å; A367-V390 HydrophobicContact CB-CG2 3.85Å; L388-V390 HydrophobicContact CD2-CG2 4.14Å; L388-V390 HydrophobicContact CG-CG2 3.99Å
391N92.4Very high93.4Very high25 Ų2550.9 Ų50.913%0.13429%0.292CS..EExtended strand (participates in β ladder)trans-79.1127174.4-65.2-35000109.9T319 V320 D321 I322 S419 F479T319-N391 WeakPolarHBondContact CG2-ND2 3.13Å; T319-N391 WeakPolarHBondContact CG2-OD1 3.43Å; V320-N391 PolarHBondContact O-N 2.91Å; D321-N391 PolarHBondContact OD1-ND2 2.88Å; I322-N391 WeakPolarHBondContact CB-O 3.33Å; I322-N391 PolarHBondContact N-O 3.21Å; N391-S419 VanDerWaalsContact CA-O 3.23Å; N391-S419 WeakPolarHBondContact CA-O 3.45Å; N391-F479 HydrophobicContact CB-CD2 4.43Å; N391-F479 HydrophobicContact CB-CE1 4.18Å; N391-F479 HydrophobicContact CB-CE2 3.58Å; N391-F479 HydrophobicContact CB-CZ 3.39Å
392G90.9Very high93.2Very high0 Ų048 Ų480%027%0.273CS..  trans-159.1-179.1-175.700000112.1S419 N477G392-S419 PolarHBondContact N-O 2.82Å; G392-N477 PolarHBondContact O-ND2 2.99Å
393P91.1Very high92.9Very high52 Ų5251.6 Ų51.634%0.33829%0.285SS..SBendtrans-64.2154.7177.428.8-35.4000111.5I395P393-I395 PolarHBondContact O-N 2.94Å
394P92.2Very high92.7Very high4 Ų447.7 Ų47.73%0.02627%0.268CS..PPolyproline II helixtrans-63.7129-174.8-22.434.6000112.8V416 A475 N477 G482P394-V416 HydrophobicContact CB-CG1 3.88Å; P394-A475 HydrophobicContact CB-CB 3.89Å; P394-A475 HydrophobicContact CG-CB 4.23Å; P394-N477 HydrophobicContact CG-CB 3.98Å; P394-G482 VanDerWaalsContact O-CA 3.25Å; P394-G482 WeakPolarHBondContact O-CA 3.17Å
395I90.3Very high92.3Very high85 Ų8544.9 Ų44.944%0.43626%0.263SS..EExtended strand (participates in β ladder)trans-86.5127.2173.7-47.6175.1000108Q364 P393 V416 G417Q364-I395 HydrophobicContact CG-CD1 3.67Å; Q364-I395 HydrophobicContact CG-CG1 4.41Å; P393-I395 PolarHBondContact O-N 2.94Å; I395-V416 CarbonylContact O-C 3.6Å; I395-V416 WeakPolarHBondContact O-CA 3.27Å; I395-G417 PolarHBondContact N-O 3.33Å; I395-G417 PolarHBondContact O-N 2.83Å
396I92.3Very high92Very high26 Ų2644.1 Ų44.113%0.13326%0.256CS..EExtended strand (participates in β ladder)trans-116.7115.2-179-50.1-174.8000110C414 R415 V416 C473 A475 G482 A484I396-C414 HydrophobicContact CG2-CB 3.84Å; I396-R415 CarbonylContact C-O 3.58Å; I396-R415 WeakPolarHBondContact CA-O 3.37Å; I396-V416 HydrophobicContact CD1-CG2 4.45Å; I396-V416 HydrophobicContact CG1-CG2 4.23Å; I396-V416 HydrophobicContact CG2-CG2 4.39Å; I396-C473 VanDerWaalsContact CD1-O 3.25Å; I396-C473 WeakPolarHBondContact CD1-O 3.34Å; I396-C473 HydrophobicContact CG2-CB 4.5Å; I396-A475 HydrophobicContact CD1-CB 3.7Å; I396-A475 HydrophobicContact CG1-CB 4.31Å; I396-G482 VanDerWaalsContact CD1-C 3.44Å; I396-G482 VanDerWaalsContact CD1-O 3.31Å; I396-G482 WeakPolarHBondContact CD1-O 3.32Å; I396-A484 HydrophobicContact CB-CB 3.96Å; I396-A484 HydrophobicContact CG2-CB 3.5Å; I396-A484 VanDerWaalsContact CG2-CB 3.5Å
397T91.6Very high91.5Very high95 Ų9549.4 Ų49.458%0.58328%0.28SS*.EExtended strand (participates in β ladder)trans-105.7116.6177.5-53.50000108.9R415T397-R415 PolarHBondContact N-O 2.9Å; T397-R415 PolarHBondContact O-N 2.92Å
398A90.9Very high91.1Very high31 Ų3148.5 Ų48.526%0.25628%0.276SS..  trans-148.2145.3178.400000109.9A400 C414 A484 V486A398-A400 PolarHBondContact O-N 2.02Å; A398-C414 HydrophobicContact CB-CB 3.79Å; A398-A484 HydrophobicContact CB-CB 4.11Å; A398-V486 HydrophobicContact CB-CG2 3.81Å
399D90.8Very high90.8Very high120 Ų12055.2 Ų55.264%0.64231%0.305SS*.  trans-66.3121.4171.6-65.9-42.1000109.2T401 Q402D399-T401 PolarHBondContact O-N 3.38Å; D399-T401 VanDerWaalsContact O-N 3.15Å; D399-Q402 HydrophobicContact CB-CG 3.85Å; D399-Q402 PolarHBondContact O-NE2 2.83Å; D399-Q402 VanDerWaalsContact O-NE2 3.11Å
400A88.9Confident90.7Very high65 Ų6552.9 Ų52.954%0.53729%0.291SS..SBendtrans-64.4-20.3-174.400000113.6A398 T487A398-A400 PolarHBondContact O-N 2.02Å; A400-T487 PolarHBondContact O-N 2.87Å; A400-T487 PolarHBondContact O-OG1 2.91Å
401T90.6Very high90.6Very high44 Ų4457 Ų5727%0.2731%0.308SS..EExtended strand (participates in β ladder)trans-127.3126.3168.4-69.20000108.2D399 T487 K489D399-T401 PolarHBondContact O-N 3.38Å; D399-T401 VanDerWaalsContact O-N 3.15Å; T401-T487 WeakPolarHBondContact CA-O 3.42Å; T401-T487 PolarHBondContact OG1-OG1 2.87Å; T401-K489 HydrophobicContact CG2-CB 4.2Å; T401-K489 HydrophobicContact CG2-CD 3.5Å; T401-K489 VanDerWaalsContact CG2-CD 3.5Å; T401-K489 HydrophobicContact CG2-CG 3.83Å; T401-K489 WeakPolarHBondContact OG1-CE 3.27Å; T401-K489 PolarHBondContact OG1-NZ 2.9Å; T401-K489 VanDerWaalsContact OG1-NZ 3.11Å
402Q92.3Very high90.7Very high22 Ų2255.8 Ų55.810%0.10330%0.302CS..EExtended strand (participates in β ladder)trans-123.7159.3172.7-66.917637.300109.3D399 L412 E413 V486 T487 L488 K489D399-Q402 HydrophobicContact CB-CG 3.85Å; D399-Q402 PolarHBondContact O-NE2 2.83Å; D399-Q402 VanDerWaalsContact O-NE2 3.11Å; Q402-L412 HydrophobicContact CB-CD2 4.13Å; Q402-E413 PolarHBondContact NE2-O 3.16Å; Q402-V486 HydrophobicContact CB-CG1 4.39Å; Q402-V486 HydrophobicContact CG-CG1 4.09Å; Q402-T487 PolarHBondContact N-O 3.35Å; Q402-L488 CarbonylContact O-C 3.57Å; Q402-L488 WeakPolarHBondContact O-CA 3.41Å; Q402-K489 PolarHBondContact O-N 2.82Å
403H90.9Very high90.8Very high104 Ų10458.5 Ų58.548%0.48132%0.315SS..EExtended strand (participates in β ladder)trans-123.8137.3-163.4-76.7-80000111.8Q491H403-Q491 HydrophobicContact CB-CB 4.13Å; H403-Q491 HydrophobicContact CB-CG 4.34Å
404A90.3Very high91Very high7 Ų756.1 Ų56.16%0.05830%0.299CS..EExtended strand (participates in β ladder)trans-146.8144.3169.700000110.5T462 F467 L488 K489 Q491A404-T462 HydrophobicContact CB-CG2 3.96Å; A404-F467 HydrophobicContact CB-CE1 4.37Å; A404-F467 WeakPolarHBondContact O-CE1 3.16Å; A404-F467 WeakPolarHBondContact O-CZ 3.39Å; A404-L488 HydrophobicContact CB-CD1 3.95Å; A404-L488 HydrophobicContact CB-CD2 4.44Å; A404-L488 HydrophobicContact CB-CG 4.49Å; A404-K489 PolarHBondContact N-O 2.92Å; A404-Q491 PolarHBondContact O-N 2.92Å
405V89.7Confident91Very high51 Ų5161.4 Ų61.431%0.30932%0.319SS..  trans-66.9150.8169.4-178.50000108.6S408 T462 Q491 A493V405-S408 PolarHBondContact O-OG 3.17Å; V405-T462 PolarHBondContact O-OG1 2.89Å; V405-Q491 HydrophobicContact CG2-CB 4.23Å; V405-A493 HydrophobicContact CG1-CB 4.04Å; V405-A493 HydrophobicContact CG2-CB 4.36Å
406K88.6Confident91.2Very high75 Ų7557.4 Ų57.433%0.32630%0.298SS..THydrogen-bonded Turntrans-75.9145.3176.7177.3179.7165.6-176.80111.8S408 T462 V464 F467 E490K406-S408 PolarHBondContact O-N 2.89Å; K406-T462 WeakPolarHBondContact CA-OG1 3.44Å; K406-V464 HydrophobicContact CD-CG2 4.23Å; K406-V464 VanDerWaalsContact CE-CG2 3.47Å; K406-F467 HydrophobicContact CB-CE2 3.81Å; K406-F467 HydrophobicContact CB-CZ 4.2Å; K406-F467 HydrophobicContact CG-CE2 4.14Å; K406-E490 HydrophobicContact CB-CG 4.11Å; K406-E490 VanDerWaalsContact CB-OE1 3.25Å; K406-E490 WeakPolarHBondContact CB-OE1 3.45Å; K406-E490 WeakPolarHBondContact CD-OE1 3.42Å
407H87.1Confident91.1Very high114 Ų11457.4 Ų57.453%0.52831%0.305SS..THydrogen-bonded Turntrans55.827.3-171-59.8-69.8000114.1E461 T462H407-E461 IonicContact CE1-OE1 3.52Å; H407-E461 IonicContact CG-OE1 2.79Å; H407-E461 IonicContact ND1-OE1 2.62Å; H407-E461 PolarHBondContact ND1-OE1 2.82Å; H407-T462 WeakPolarHBondContact CA-O 3.36Å; H407-T462 PolarHBondContact N-O 2.87Å; H407-T462 PolarHBondContact N-OG1 3.24Å
408S89.5Confident90.8Very high42 Ų4254 Ų5429%0.29429%0.285SS..SBendtrans-120.4172172.781.30000111.4V405 K406 G410 E461 T462V405-S408 PolarHBondContact O-OG 3.17Å; K406-S408 PolarHBondContact O-N 2.89Å; S408-G410 PolarHBondContact O-N 3.03Å; S408-E461 CarbonylContact O-C 3.49Å; S408-E461 VanDerWaalsContact O-CA 3.27Å; S408-E461 WeakPolarHBondContact O-CA 3.3Å; S408-T462 PolarHBondContact N-OG1 3.22Å; S408-T462 VanDerWaalsContact N-OG1 3.14Å; S408-T462 PolarHBondContact O-N 2.74Å; S408-T462 PolarHBondContact O-OG1 2.84Å; S408-T462 VanDerWaalsContact O-OG1 3.08Å
409K89.6Confident90.7Very high145 Ų14555 Ų5563%0.6329%0.29SS*.  trans-61.6124.9169.6-171.4-179.6-178.4178.40109.5V458 L459K409-V458 HydrophobicContact CD-CG1 4.41Å; K409-V458 HydrophobicContact CG-CG1 4.26Å; K409-L459 CarbonylContact C-O 3.55Å; K409-L459 WeakPolarHBondContact CA-O 3.14Å; K409-L459 WeakPolarHBondContact CG-O 3.23Å
410G90.4Very high90.6Very high1 Ų151.1 Ų51.11%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-99.4153174.800000111.5S408 L459S408-G410 PolarHBondContact O-N 3.03Å; G410-L459 PolarHBondContact N-O 3.01Å; G410-L459 PolarHBondContact O-N 3.06Å
411K93Very high90.5Very high88 Ų8852.8 Ų52.838%0.38328%0.277SS..EExtended strand (participates in β ladder)trans-140.8136.3172.3-165.3178-170.4-161.50110E413 S456 L457 V458K411-E413 HydrophobicContact CD-CG 4.18Å; K411-E413 WeakPolarHBondContact CD-OE1 3.28Å; K411-E413 WeakPolarHBondContact CE-OE1 3.39Å; K411-E413 HydrophobicContact CG-CG 4.21Å; K411-E413 IonicContact NZ-OE1 3.67Å; K411-E413 PolarHBondContact NZ-OE1 3.19Å; K411-S456 WeakPolarHBondContact CE-OG 3.48Å; K411-S456 PolarHBondContact NZ-OG 2.81Å; K411-L457 WeakPolarHBondContact CA-O 3.24Å; K411-V458 HydrophobicContact CG-CG2 4.19Å
412L93.4Very high90.6Very high0 Ų052.1 Ų52.10%027%0.273CS..EExtended strand (participates in β ladder)trans-125.3124.6175-72.8157.6000107.8Q402 W427 S456 L457 L459 Y471 V486 L488Q402-L412 HydrophobicContact CB-CD2 4.13Å; L412-W427 HydrophobicContact CB-CH2 3.86Å; L412-W427 HydrophobicContact CB-CZ2 4.49Å; L412-W427 HydrophobicContact CB-CZ3 4.11Å; L412-W427 WeakPolarHBondContact O-CZ2 3.27Å; L412-S456 CarbonylContact O-C 3.44Å; L412-S456 VanDerWaalsContact O-CA 3.29Å; L412-S456 WeakPolarHBondContact O-CA 3.48Å; L412-L457 HydrophobicContact CB-CB 4.22Å; L412-L457 HydrophobicContact CD1-CD2 4.05Å; L412-L457 PolarHBondContact N-O 2.7Å; L412-L457 PolarHBondContact O-N 2.74Å; L412-L459 HydrophobicContact CD1-CD1 4.04Å; L412-Y471 HydrophobicContact CD1-CD1 3.74Å; L412-Y471 HydrophobicContact CD1-CD2 3.61Å; L412-Y471 HydrophobicContact CD1-CE1 3.98Å; L412-Y471 HydrophobicContact CD1-CE2 3.84Å; L412-Y471 HydrophobicContact CD1-CG 3.56Å; L412-V486 HydrophobicContact CD2-CB 4.38Å; L412-V486 HydrophobicContact CD2-CG1 3.44Å; L412-V486 VanDerWaalsContact CD2-CG1 3.44Å; L412-L488 HydrophobicContact CD2-CB 4.18Å; L412-L488 HydrophobicContact CD2-CD1 3.9Å; L412-L488 HydrophobicContact CG-CD1 4.18Å
413E94.3Very high90.5Very high58 Ų5856.7 Ų56.727%0.27130%0.299SS..EExtended strand (participates in β ladder)trans-117144.3-175.8-63.2-166.6177.100112.5Q402 K411 L454 S455Q402-E413 PolarHBondContact NE2-O 3.16Å; K411-E413 HydrophobicContact CD-CG 4.18Å; K411-E413 WeakPolarHBondContact CD-OE1 3.28Å; K411-E413 WeakPolarHBondContact CE-OE1 3.39Å; K411-E413 HydrophobicContact CG-CG 4.21Å; K411-E413 IonicContact NZ-OE1 3.67Å; K411-E413 PolarHBondContact NZ-OE1 3.19Å; E413-L454 HydrophobicContact CB-CD1 4.19Å; E413-S455 WeakPolarHBondContact CA-O 3.4Å
414C93.6Very high90.5Very high1 Ų157 Ų571%0.00730%0.298CS..EExtended strand (participates in β ladder)trans-141140.3165.7580000110.3I396 A398 W427 S455 C473I396-C414 HydrophobicContact CG2-CB 3.84Å; A398-C414 HydrophobicContact CB-CB 3.79Å; C414-W427 HydrophobicContact CB-CH2 4.25Å; C414-W427 HydrophobicContact CB-CZ2 4.16Å; C414-W427 WeakPolarHBondContact SG-CZ2 3.35Å; C414-S455 PolarHBondContact N-O 2.94Å; C414-S455 PolarHBondContact O-N 2.89Å; C414-C473 HydrophobicContact CB-CB 3.61Å; C414-C473 WeakPolarHBondContact CB-SG 3.23Å; C414-C473 WeakPolarHBondContact SG-CB 3.23Å; C414-C473 CovalentContact SG-SG 2.03Å; C414-C473 PolarHBondContact SG-SG 2.83Å
415R93.8Very high90.7Very high115 Ų11557.5 Ų57.543%0.43430%0.3SS..EExtended strand (participates in β ladder)trans-100.5127.2172.4-65.1175.7-165.5-92.6-7.3109I396 T397 L454I396-R415 CarbonylContact C-O 3.58Å; I396-R415 WeakPolarHBondContact CA-O 3.37Å; T397-R415 PolarHBondContact N-O 2.9Å; T397-R415 PolarHBondContact O-N 2.92Å; R415-L454 HydrophobicContact CG-CD1 3.64Å
416V92.9Very high91Very high1 Ų156.1 Ų56.11%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-107.899.7179.7-176.70000108.6P394 I395 I396 P422 I425 G452 V453 A475P394-V416 HydrophobicContact CB-CG1 3.88Å; I395-V416 CarbonylContact O-C 3.6Å; I395-V416 WeakPolarHBondContact O-CA 3.27Å; I396-V416 HydrophobicContact CD1-CG2 4.45Å; I396-V416 HydrophobicContact CG1-CG2 4.23Å; I396-V416 HydrophobicContact CG2-CG2 4.39Å; V416-P422 HydrophobicContact CG1-CB 4.3Å; V416-P422 HydrophobicContact CG1-CG 4.26Å; V416-I425 HydrophobicContact CB-CD1 4.17Å; V416-I425 HydrophobicContact CG2-CD1 3.89Å; V416-I425 HydrophobicContact CG2-CG1 4.31Å; V416-I425 HydrophobicContact CG2-CG2 4.39Å; V416-G452 WeakPolarHBondContact O-CA 3.46Å; V416-V453 PolarHBondContact N-O 2.75Å; V416-V453 PolarHBondContact O-N 2.89Å; V416-A475 HydrophobicContact CG1-CB 3.59Å; V416-A475 HydrophobicContact CG2-CB 4.07Å
417G90.3Very high91.3Very high27 Ų2752.5 Ų52.528%0.27828%0.276SS..EExtended strand (participates in β ladder)trans-83.9118.2168.600000109.1I395I395-G417 PolarHBondContact N-O 3.33Å; I395-G417 PolarHBondContact O-N 2.83Å
418S85.8Confident91.6Very high22 Ų2249 Ų4915%0.15426%0.262CS..  trans-146.7130.2-174.4-171.70000110.4P420 N477S418-P420 CarbonylContact C-O 3.57Å; S418-P420 WeakPolarHBondContact CB-O 3.34Å; S418-P420 CarbonylContact O-C 3.58Å; S418-P420 PolarHBondContact OG-O 3.49Å; S418-N477 PolarHBondContact OG-ND2 2.95Å; S418-N477 VanDerWaalsContact OG-ND2 3.08Å
419S88.6Confident91.7Very high54 Ų5447.2 Ų47.238%0.37825%0.249SC..SBendtrans-129.9119.2167.2-73.10000107.5N391 G392N391-S419 VanDerWaalsContact CA-O 3.23Å; N391-S419 WeakPolarHBondContact CA-O 3.45Å; G392-S419 PolarHBondContact N-O 2.82Å
420P88.2Confident91.6Very high38 Ų3843 Ų4325%0.24725%0.248CC..SBendcis-60.2171.4-10.630.9-38.2000112.5S418 N477 R478 F479S418-P420 CarbonylContact C-O 3.57Å; S418-P420 WeakPolarHBondContact CB-O 3.34Å; S418-P420 CarbonylContact O-C 3.58Å; S418-P420 PolarHBondContact OG-O 3.49Å; P420-N477 PolarHBondContact O-ND2 2.95Å; P420-R478 HydrophobicContact CG-CG 4.1Å; P420-F479 HydrophobicContact CG-CD2 4.31Å; P420-F479 HydrophobicContact CG-CE2 3.96Å
421P88.4Confident91.3Very high100 Ų10051.6 Ų51.665%0.64929%0.293SS*.PPolyproline II helixtrans-51.3155.3175.9-28.236.5000113.8
422P91.4Very high91.1Very high30 Ų3050.2 Ų50.220%0.19529%0.289CS..PPolyproline II helixtrans-76.3131.3-175.931.2-31.7000111.4V416 K424 I425 V453 W476V416-P422 HydrophobicContact CG1-CB 4.3Å; V416-P422 HydrophobicContact CG1-CG 4.26Å; P422-K424 PolarHBondContact O-N 3.45Å; P422-I425 HydrophobicContact CB-CG1 4.31Å; P422-I425 HydrophobicContact CG-CD1 4.14Å; P422-I425 HydrophobicContact CG-CG1 4.23Å; P422-V453 HydrophobicContact CG-CG2 4.2Å; P422-W476 CarbonylContact C-O 3.59Å; P422-W476 WeakPolarHBondContact CA-O 3.45Å
423D91.1Very high91Very high118 Ų11854 Ų5463%0.63132%0.315SS*.SBendtrans-65.6-30.7177.4-62.1-42.2000111.8W476 N477 R478D423-W476 PolarHBondContact N-O 2.56Å; D423-N477 WeakPolarHBondContact OD2-CA 3.46Å; D423-R478 PolarHBondContact OD2-N 2.69Å; D423-R478 VanDerWaalsContact OD2-N 3.15Å
424K91.1Very high91Very high110 Ų11052 Ų5248%0.47831%0.307SS..EExtended strand (participates in β ladder)trans-162.2151177.352.8177.8177.8178.90111.6P422 A475 W476P422-K424 PolarHBondContact O-N 3.45Å; K424-A475 WeakPolarHBondContact O-CA 3.47Å; K424-W476 HydrophobicContact CD-CB 4.47Å; K424-W476 HydrophobicContact CD-CD2 4.13Å; K424-W476 HydrophobicContact CD-CE3 4.1Å; K424-W476 HydrophobicContact CD-CG 4.31Å; K424-W476 VanDerWaalsContact CE-CD2 3.44Å; K424-W476 HydrophobicContact CG-CB 3.82Å; K424-W476 HydrophobicContact CG-CD2 4.02Å; K424-W476 HydrophobicContact CG-CE3 3.76Å; K424-W476 HydrophobicContact CG-CG 4.08Å; K424-W476 PolarHBondContact O-N 3.32Å
425I94.2Very high90.7Very high17 Ų1755.4 Ų55.49%0.08733%0.33CS..EExtended strand (participates in β ladder)trans-125139169.7-54.4171000106.9V416 P422 S435 V453 T474 A475V416-I425 HydrophobicContact CB-CD1 4.17Å; V416-I425 HydrophobicContact CG2-CD1 3.89Å; V416-I425 HydrophobicContact CG2-CG1 4.31Å; V416-I425 HydrophobicContact CG2-CG2 4.39Å; P422-I425 HydrophobicContact CB-CG1 4.31Å; P422-I425 HydrophobicContact CG-CD1 4.14Å; P422-I425 HydrophobicContact CG-CG1 4.23Å; I425-S435 WeakPolarHBondContact O-CA 3.48Å; I425-S435 WeakPolarHBondContact O-CB 3.46Å; I425-V453 HydrophobicContact CD1-CB 3.92Å; I425-V453 HydrophobicContact CD1-CG1 3.64Å; I425-T474 CarbonylContact C-O 3.54Å; I425-T474 WeakPolarHBondContact CA-O 3.36Å; I425-A475 HydrophobicContact CG1-CB 4.07Å
426V94.9Very high90.3Very high22 Ų2254.1 Ų54.113%0.13334%0.339CS..EExtended strand (participates in β ladder)trans-142.4132.2-178.9-171.80000109.6T428 L434 T474 W476V426-T428 HydrophobicContact CG1-CG2 3.97Å; V426-L434 WeakPolarHBondContact CA-O 3.41Å; V426-T474 PolarHBondContact N-O 2.87Å; V426-T474 PolarHBondContact O-N 2.96Å; V426-W476 HydrophobicContact CB-CH2 3.84Å; V426-W476 HydrophobicContact CB-CZ3 3.58Å; V426-W476 HydrophobicContact CG2-CE3 4.29Å; V426-W476 HydrophobicContact CG2-CH2 3.8Å; V426-W476 HydrophobicContact CG2-CZ3 3.39Å
427W94.8Very high90Very high0 Ų056 Ų560%036%0.358CS..EExtended strand (participates in β ladder)trans-89.9129165-72.791.1000109.9L412 C414 S433 L434 V444 S455 L457 N472 C473 V486L412-W427 HydrophobicContact CB-CH2 3.86Å; L412-W427 HydrophobicContact CB-CZ2 4.49Å; L412-W427 HydrophobicContact CB-CZ3 4.11Å; L412-W427 WeakPolarHBondContact O-CZ2 3.27Å; C414-W427 HydrophobicContact CB-CH2 4.25Å; C414-W427 HydrophobicContact CB-CZ2 4.16Å; C414-W427 WeakPolarHBondContact SG-CZ2 3.35Å; W427-S433 CarbonylContact O-C 3.49Å; W427-S433 VanDerWaalsContact O-CA 3.3Å; W427-S433 WeakPolarHBondContact O-CA 3.33Å; W427-L434 PolarHBondContact N-O 2.87Å; W427-L434 PolarHBondContact O-N 2.88Å; W427-V444 HydrophobicContact CG-CG2 4.5Å; W427-S455 PolarHBondContact NE1-OG 2.8Å; W427-L457 HydrophobicContact CB-CD1 4.43Å; W427-L457 HydrophobicContact CB-CD2 4.16Å; W427-L457 HydrophobicContact CD2-CB 3.63Å; W427-L457 HydrophobicContact CD2-CD2 4.14Å; W427-L457 HydrophobicContact CD2-CG 4.46Å; W427-L457 HydrophobicContact CE3-CB 4.15Å; W427-L457 HydrophobicContact CE3-CD2 4.08Å; W427-L457 HydrophobicContact CG-CB 3.81Å; W427-L457 HydrophobicContact CG-CD2 4.21Å; W427-L457 HydrophobicContact CG-CG 4.4Å; W427-L457 HydrophobicContact CZ2-CB 4.15Å; W427-N472 CarbonylContact C-O 3.57Å; W427-N472 VanDerWaalsContact CA-O 3.29Å; W427-N472 WeakPolarHBondContact CA-O 3.4Å; W427-C473 HydrophobicContact CD2-CB 4.09Å; W427-C473 HydrophobicContact CE3-CB 3.91Å; W427-C473 HydrophobicContact CH2-CB 3.84Å; W427-C473 HydrophobicContact CZ2-CB 4Å; W427-C473 HydrophobicContact CZ3-CB 3.79Å; W427-V486 HydrophobicContact CH2-CG2 4.24Å; W427-V486 HydrophobicContact CZ3-CB 4.34Å; W427-V486 HydrophobicContact CZ3-CG2 4.14Å
428T93.7Very high89.8Confident39 Ų3959.2 Ų59.224%0.23938%0.377CS..EExtended strand (participates in β ladder)trans-123.1136173.973.20000111.4V426 M432 N472V426-T428 HydrophobicContact CG1-CG2 3.97Å; T428-M432 WeakPolarHBondContact CA-O 3.23Å; T428-N472 PolarHBondContact N-O 3.28Å; T428-N472 PolarHBondContact O-N 2.97Å; T428-N472 PolarHBondContact OG1-ND2 3.31Å
429F92.5Very high90Very high5 Ų560.7 Ų60.72%0.02239%0.387CS..EExtended strand (participates in β ladder)trans-158.7123.2-176.451.2-84.2000111D431 M432 L434 Y442 L457 M469 R470 Y471F429-D431 PolarHBondContact O-N 3.3Å; F429-M432 HydrophobicContact CE2-CB 4.24Å; F429-M432 HydrophobicContact CE2-CE 3.51Å; F429-M432 HydrophobicContact CE2-CG 4.42Å; F429-M432 HydrophobicContact CZ-CB 4.46Å; F429-M432 HydrophobicContact CZ-CE 3.74Å; F429-M432 HydrophobicContact CZ-CG 4.23Å; F429-M432 PolarHBondContact N-O 3.33Å; F429-M432 PolarHBondContact O-N 3.39Å; F429-M432 VanDerWaalsContact O-N 3.13Å; F429-L434 HydrophobicContact CE1-CD1 4.38Å; F429-L434 HydrophobicContact CZ-CD1 4.16Å; F429-Y442 HydrophobicContact CD2-CE1 4.32Å; F429-Y442 AromaticContact CE2-CD1 3.71Å; F429-Y442 HydrophobicContact CE2-CD1 3.71Å; F429-Y442 AromaticContact CE2-CD2 3.98Å; F429-Y442 HydrophobicContact CE2-CD2 3.98Å; F429-Y442 AromaticContact CE2-CE1 3.51Å; F429-Y442 HydrophobicContact CE2-CE1 3.51Å; F429-Y442 AromaticContact CE2-CE2 3.79Å; F429-Y442 HydrophobicContact CE2-CE2 3.79Å; F429-Y442 AromaticContact CE2-CG 3.94Å; F429-Y442 HydrophobicContact CE2-CG 3.94Å; F429-Y442 AromaticContact CE2-CZ 3.54Å; F429-Y442 AromaticContact CZ-CD1 3.57Å; F429-Y442 HydrophobicContact CZ-CD1 3.57Å; F429-Y442 HydrophobicContact CZ-CD2 4.03Å; F429-Y442 AromaticContact CZ-CE1 3.89Å; F429-Y442 HydrophobicContact CZ-CE1 3.89Å; F429-Y442 HydrophobicContact CZ-CE2 4.31Å; F429-Y442 AromaticContact CZ-CG 3.64Å; F429-Y442 HydrophobicContact CZ-CG 3.64Å; F429-L457 HydrophobicContact CD1-CD2 3.95Å; F429-L457 HydrophobicContact CE1-CD1 4.11Å; F429-L457 HydrophobicContact CE1-CD2 3.7Å; F429-L457 HydrophobicContact CZ-CD1 4.49Å; F429-L457 HydrophobicContact CZ-CD2 4.37Å; F429-M469 HydrophobicContact CB-CE 4.4Å; F429-M469 HydrophobicContact CD2-CE 4.27Å; F429-M469 HydrophobicContact CD2-SD 4.34Å; F429-R470 WeakPolarHBondContact CA-O 3.33Å; F429-R470 WeakPolarHBondContact CB-O 3.09Å; F429-Y471 HydrophobicContact CB-CD1 3.4Å; F429-Y471 VanDerWaalsContact CB-CD1 3.4Å; F429-Y471 HydrophobicContact CB-CE1 3.68Å; F429-Y471 HydrophobicContact CB-CG 4.15Å; F429-Y471 AromaticContact CD1-CD1 3.7Å; F429-Y471 HydrophobicContact CD1-CD1 3.7Å; F429-Y471 HydrophobicContact CD1-CE1 4.03Å; F429-Y471 HydrophobicContact CD2-CD1 4.2Å; F429-Y471 AromaticContact CD2-CE1 3.74Å; F429-Y471 HydrophobicContact CD2-CE1 3.74Å; F429-Y471 HydrophobicContact CE2-CE1 4.35Å; F429-Y471 AromaticContact CG-CD1 3.51Å; F429-Y471 HydrophobicContact CG-CD1 3.51Å; F429-Y471 AromaticContact CG-CE1 3.55Å; F429-Y471 HydrophobicContact CG-CE1 3.55Å
430G87.2Confident89.9Confident58 Ų5862 Ų6260%0.59841%0.409SS*.THydrogen-bonded Turntrans55.7-133.6-163.900000110
431D84.8Confident90Very high181 Ų18163 Ų6397%0.96841%0.408SS*.THydrogen-bonded Turntrans-87.30176.8-52.2-59.4000113.8F429F429-D431 PolarHBondContact O-N 3.3Å
432M87.8Confident90.2Very high59 Ų5959.4 Ų59.429%0.29138%0.381SS..EExtended strand (participates in β ladder)trans-96.7144.4-177.1-173.6146.259.300112.4T428 F429 Y442T428-M432 WeakPolarHBondContact CA-O 3.23Å; F429-M432 HydrophobicContact CE2-CB 4.24Å; F429-M432 HydrophobicContact CE2-CE 3.51Å; F429-M432 HydrophobicContact CE2-CG 4.42Å; F429-M432 HydrophobicContact CZ-CB 4.46Å; F429-M432 HydrophobicContact CZ-CE 3.74Å; F429-M432 HydrophobicContact CZ-CG 4.23Å; F429-M432 PolarHBondContact N-O 3.33Å; F429-M432 PolarHBondContact O-N 3.39Å; F429-M432 VanDerWaalsContact O-N 3.13Å; M432-Y442 HydrophobicContact CE-CD2 3.35Å; M432-Y442 HydrophobicContact CE-CE2 3.48Å; M432-Y442 VanDerWaalsContact CE-CE2 3.48Å; M432-Y442 HydrophobicContact CE-CG 4.23Å
433S92.6Very high90.3Very high80 Ų8059.5 Ų59.556%0.55938%0.383SS*.EExtended strand (participates in β ladder)trans-133.8142.4170.961.20000111.7W427W427-S433 CarbonylContact O-C 3.49Å; W427-S433 VanDerWaalsContact O-CA 3.3Å; W427-S433 WeakPolarHBondContact O-CA 3.33Å
434L92.6Very high90.5Very high16 Ų1654.5 Ų54.58%0.08436%0.356CS..EExtended strand (participates in β ladder)trans-141.1122.4-177.9-85167.8000110.9V426 W427 F429 V444 L457V426-L434 WeakPolarHBondContact CA-O 3.41Å; W427-L434 PolarHBondContact N-O 2.87Å; W427-L434 PolarHBondContact O-N 2.88Å; F429-L434 HydrophobicContact CE1-CD1 4.38Å; F429-L434 HydrophobicContact CZ-CD1 4.16Å; L434-V444 HydrophobicContact CB-CG2 3.76Å; L434-L457 HydrophobicContact CD1-CD1 4.36Å
435S87.3Confident90.5Very high72 Ų7254 Ų5450%0.50336%0.356SS..SBendtrans-98.5-36.4175550000113.4I425I425-S435 WeakPolarHBondContact O-CA 3.48Å; I425-S435 WeakPolarHBondContact O-CB 3.46Å
436S86Confident90.4Very high87 Ų8757 Ų5761%0.60838%0.375SS*.SBendtrans-160.6163.7-176.2-176.20000109.7
437G86.8Confident90.2Very high40 Ų4059.7 Ų59.741%0.41239%0.391SS..EExtended strand (participates in β ladder)trans72-150.4178.600000113.3S443 V444G437-S443 CarbonylContact O-C 3.57Å; G437-S443 VanDerWaalsContact O-CA 3.27Å; G437-S443 WeakPolarHBondContact O-CA 3.5Å; G437-V444 PolarHBondContact O-N 2.88Å
438S87Confident90Very high96 Ų9665.4 Ų65.467%0.67143%0.426SS*.EExtended strand (participates in β ladder)trans-135.9142.3-174.656.90000113Y442S438-Y442 CarbonylContact C-O 3.32Å; S438-Y442 WeakPolarHBondContact CA-O 3.43Å; S438-Y442 WeakPolarHBondContact CB-O 3.29Å
439S88.3Confident89.6Confident52 Ų5265.7 Ų65.736%0.36443%0.428SS..EExtended strand (participates in β ladder)trans-135.6118.8170-178.50000109.8R441 Y442S439-R441 PolarHBondContact O-N 2.81Å; S439-R441 VanDerWaalsContact O-N 3.16Å; S439-Y442 PolarHBondContact N-O 2.79Å; S439-Y442 PolarHBondContact O-N 2.83Å
440G87.4Confident88.9Confident82 Ų8273.3 Ų73.385%0.84547%0.469SS*.THydrogen-bonded Turntrans55.9-117.3-176.500000112.4Y442G440-Y442 VanDerWaalsContact C-N 3.35Å
441R90.5Very high88.3Confident59 Ų5978.3 Ų78.322%0.22348%0.477CS..THydrogen-bonded Turntrans-88.51.1-178.9-50.5-171.2-50.8116.916.9113.7S439 L459 S460 E461 D466S439-R441 PolarHBondContact O-N 2.81Å; S439-R441 VanDerWaalsContact O-N 3.16Å; R441-L459 CarbonylContact O-C 3.35Å; R441-L459 WeakPolarHBondContact O-CA 3.36Å; R441-S460 PolarHBondContact O-N 3.03Å; R441-S460 PolarHBondContact O-OG 2.82Å; R441-E461 VanDerWaalsContact NH1-C 3.32Å; R441-E461 PolarHBondContact NH1-O 2.71Å; R441-E461 IonicContact NH1-OE2 3.51Å; R441-D466 IonicContact CZ-OD2 3.99Å; R441-D466 IonicContact NH1-OD2 2.91Å; R441-D466 IonicContact NH2-OD1 3.76Å; R441-D466 PolarHBondContact NH2-OD1 3Å; R441-D466 VanDerWaalsContact NH2-OD1 3.17Å; R441-D466 IonicContact NH2-OD2 3.78Å; R441-D466 PolarHBondContact NH2-OD2 2.84Å
442Y93.3Very high88.4Confident25 Ų2570.7 Ų70.710%0.09844%0.44CS..EExtended strand (participates in β ladder)trans-114.6142.1-171.5-55.9-85.7000111.2F429 M432 S438 S439 G440 L457 L459 D466F429-Y442 HydrophobicContact CD2-CE1 4.32Å; F429-Y442 AromaticContact CE2-CD1 3.71Å; F429-Y442 HydrophobicContact CE2-CD1 3.71Å; F429-Y442 AromaticContact CE2-CD2 3.98Å; F429-Y442 HydrophobicContact CE2-CD2 3.98Å; F429-Y442 AromaticContact CE2-CE1 3.51Å; F429-Y442 HydrophobicContact CE2-CE1 3.51Å; F429-Y442 AromaticContact CE2-CE2 3.79Å; F429-Y442 HydrophobicContact CE2-CE2 3.79Å; F429-Y442 AromaticContact CE2-CG 3.94Å; F429-Y442 HydrophobicContact CE2-CG 3.94Å; F429-Y442 AromaticContact CE2-CZ 3.54Å; F429-Y442 AromaticContact CZ-CD1 3.57Å; F429-Y442 HydrophobicContact CZ-CD1 3.57Å; F429-Y442 HydrophobicContact CZ-CD2 4.03Å; F429-Y442 AromaticContact CZ-CE1 3.89Å; F429-Y442 HydrophobicContact CZ-CE1 3.89Å; F429-Y442 HydrophobicContact CZ-CE2 4.31Å; F429-Y442 AromaticContact CZ-CG 3.64Å; F429-Y442 HydrophobicContact CZ-CG 3.64Å; M432-Y442 HydrophobicContact CE-CD2 3.35Å; M432-Y442 HydrophobicContact CE-CE2 3.48Å; M432-Y442 VanDerWaalsContact CE-CE2 3.48Å; M432-Y442 HydrophobicContact CE-CG 4.23Å; S438-Y442 CarbonylContact C-O 3.32Å; S438-Y442 WeakPolarHBondContact CA-O 3.43Å; S438-Y442 WeakPolarHBondContact CB-O 3.29Å; S439-Y442 PolarHBondContact N-O 2.79Å; S439-Y442 PolarHBondContact O-N 2.83Å; G440-Y442 VanDerWaalsContact C-N 3.35Å; Y442-L457 HydrophobicContact CD1-CD1 4.49Å; Y442-L459 HydrophobicContact CD1-CD1 4.21Å; Y442-L459 HydrophobicContact CD1-CD2 4.45Å; Y442-L459 HydrophobicContact CD1-CG 3.78Å; Y442-L459 HydrophobicContact CE1-CD1 4.37Å; Y442-L459 HydrophobicContact CE1-CD2 3.91Å; Y442-L459 HydrophobicContact CE1-CG 3.74Å; Y442-D466 PolarHBondContact OH-OD1 2.83Å
443S92.9Very high88.6Confident31 Ų3168.9 Ų68.922%0.21743%0.433CS..EExtended strand (participates in β ladder)trans-144.6143.6173.555.30000111.4G437 V458G437-S443 CarbonylContact O-C 3.57Å; G437-S443 VanDerWaalsContact O-CA 3.27Å; G437-S443 WeakPolarHBondContact O-CA 3.5Å; S443-V458 PolarHBondContact N-O 3.22Å; S443-V458 PolarHBondContact O-N 2.9Å; S443-V458 PolarHBondContact OG-O 3.46Å
444V95Very high88.6Confident13 Ų1366.1 Ų66.18%0.07941%0.412CS..EExtended strand (participates in β ladder)trans-107.8130178.1176.10000109.7W427 L434 G437 T446 S456 L457W427-V444 HydrophobicContact CG-CG2 4.5Å; L434-V444 HydrophobicContact CB-CG2 3.76Å; G437-V444 PolarHBondContact O-N 2.88Å; V444-T446 HydrophobicContact CG1-CG2 4.46Å; V444-S456 WeakPolarHBondContact CA-O 3.35Å; V444-L457 HydrophobicContact CG2-CD1 3.84Å
445Q92.2Very high88.7Confident101 Ų10165.4 Ų65.447%0.47241%0.408SS..EExtended strand (participates in β ladder)trans-123.2127.9176.7-59.9-178.6-15.400108.7S456Q445-S456 PolarHBondContact N-O 2.82Å; Q445-S456 WeakPolarHBondContact O-CB 3.36Å; Q445-S456 PolarHBondContact O-N 3.09Å
446T91.4Very high89Confident78 Ų7862.1 Ų62.148%0.47939%0.385SS..EExtended strand (participates in β ladder)trans-117.7133.8178.146.90000110.7V444 V453 L454V444-T446 HydrophobicContact CG1-CG2 4.46Å; T446-V453 HydrophobicContact CG2-CG1 4.42Å; T446-L454 CarbonylContact C-O 3.6Å; T446-L454 WeakPolarHBondContact CA-O 3.36Å
447V91.3Very high89.4Confident80 Ų8058 Ų5849%0.48536%0.356SS..EExtended strand (participates in β ladder)trans-128.3119.6177.3-177.70000108.4T449 L454V447-T449 HydrophobicContact CG1-CG2 4.25Å; V447-L454 PolarHBondContact N-O 2.91Å; V447-L454 PolarHBondContact O-N 3.49Å
448T89.1Confident89.8Confident119 Ų11956.4 Ų56.473%0.7334%0.338SS*.EExtended strand (participates in β ladder)trans-73133.7170.9-52.30000109.2
449T85.4Confident90.1Very high46 Ų4651.8 Ų51.828%0.28231%0.306SS..EExtended strand (participates in β ladder)trans-133.1165.3177.369.70000109.7V447 H451 G452V447-T449 HydrophobicContact CG1-CG2 4.25Å; T449-H451 PolarHBondContact O-N 3.48Å; T449-G452 WeakPolarHBondContact CA-O 3.29Å; T449-G452 PolarHBondContact N-O 2.99Å; T449-G452 PolarHBondContact O-N 2.85Å; T449-G452 VanDerWaalsContact O-O 3.06Å; T449-G452 PolarHBondContact OG1-O 2.92Å
450D77.6Confident90.2Very high165 Ų16553.1 Ų53.188%0.88232%0.315SS*.THydrogen-bonded Turntrans-62.7-12179.8-48.3-49.2000113.5
451H75.8Confident90.4Very high163 Ų16352.5 Ų52.576%0.75529%0.29SS*.THydrogen-bonded Turntrans-109.619.3176.3-55.4-32000113T449T449-H451 PolarHBondContact O-N 3.48Å
452G85.6Confident90.3Very high20 Ų2049.7 Ų49.721%0.20628%0.28CS..EExtended strand (participates in β ladder)trans106.4-167.1-179.500000113.7V416 T449V416-G452 WeakPolarHBondContact O-CA 3.46Å; T449-G452 WeakPolarHBondContact CA-O 3.29Å; T449-G452 PolarHBondContact N-O 2.99Å; T449-G452 PolarHBondContact O-N 2.85Å; T449-G452 VanDerWaalsContact O-O 3.06Å; T449-G452 PolarHBondContact OG1-O 2.92Å
453V92.4Very high90.2Very high22 Ų2251 Ų5113%0.13329%0.288CS..EExtended strand (participates in β ladder)trans-93.4116.9-173.9-174.40000110.7V416 P422 I425 T446V416-V453 PolarHBondContact N-O 2.75Å; V416-V453 PolarHBondContact O-N 2.89Å; P422-V453 HydrophobicContact CG-CG2 4.2Å; I425-V453 HydrophobicContact CD1-CB 3.92Å; I425-V453 HydrophobicContact CD1-CG1 3.64Å; T446-V453 HydrophobicContact CG2-CG1 4.42Å
454L93.1Very high90Very high22 Ų2253 Ų5312%0.11530%0.299CS..EExtended strand (participates in β ladder)trans-81.2114.1168.9-179.868000109.1E413 R415 T446 V447E413-L454 HydrophobicContact CB-CD1 4.19Å; R415-L454 HydrophobicContact CG-CD1 3.64Å; T446-L454 CarbonylContact C-O 3.6Å; T446-L454 WeakPolarHBondContact CA-O 3.36Å; V447-L454 PolarHBondContact N-O 2.91Å; V447-L454 PolarHBondContact O-N 3.49Å
455S94.8Very high89.6Confident0 Ų059.1 Ų59.10%033%0.327CS..EExtended strand (participates in β ladder)trans-103.6133.8172.2-176.40000110.2E413 C414 W427E413-S455 WeakPolarHBondContact CA-O 3.4Å; C414-S455 PolarHBondContact N-O 2.94Å; C414-S455 PolarHBondContact O-N 2.89Å; W427-S455 PolarHBondContact NE1-OG 2.8Å
456S94.3Very high89.5Confident3 Ų354.4 Ų54.42%0.02131%0.305CS..EExtended strand (participates in β ladder)trans-126.5113.4-175.3-67.40000110.4K411 L412 V444 Q445K411-S456 WeakPolarHBondContact CE-OG 3.48Å; K411-S456 PolarHBondContact NZ-OG 2.81Å; L412-S456 CarbonylContact O-C 3.44Å; L412-S456 VanDerWaalsContact O-CA 3.29Å; L412-S456 WeakPolarHBondContact O-CA 3.48Å; V444-S456 WeakPolarHBondContact CA-O 3.35Å; Q445-S456 PolarHBondContact N-O 2.82Å; Q445-S456 WeakPolarHBondContact O-CB 3.36Å; Q445-S456 PolarHBondContact O-N 3.09Å
457L94.2Very high89.4Confident0 Ų052.1 Ų52.10%029%0.288CS..EExtended strand (participates in β ladder)trans-86.5113.1165.8177.968.8000108.7K411 L412 W427 F429 L434 Y442 V444 L459 Y471K411-L457 WeakPolarHBondContact CA-O 3.24Å; L412-L457 HydrophobicContact CB-CB 4.22Å; L412-L457 HydrophobicContact CD1-CD2 4.05Å; L412-L457 PolarHBondContact N-O 2.7Å; L412-L457 PolarHBondContact O-N 2.74Å; W427-L457 HydrophobicContact CB-CD1 4.43Å; W427-L457 HydrophobicContact CB-CD2 4.16Å; W427-L457 HydrophobicContact CD2-CB 3.63Å; W427-L457 HydrophobicContact CD2-CD2 4.14Å; W427-L457 HydrophobicContact CD2-CG 4.46Å; W427-L457 HydrophobicContact CE3-CB 4.15Å; W427-L457 HydrophobicContact CE3-CD2 4.08Å; W427-L457 HydrophobicContact CG-CB 3.81Å; W427-L457 HydrophobicContact CG-CD2 4.21Å; W427-L457 HydrophobicContact CG-CG 4.4Å; W427-L457 HydrophobicContact CZ2-CB 4.15Å; F429-L457 HydrophobicContact CD1-CD2 3.95Å; F429-L457 HydrophobicContact CE1-CD1 4.11Å; F429-L457 HydrophobicContact CE1-CD2 3.7Å; F429-L457 HydrophobicContact CZ-CD1 4.49Å; F429-L457 HydrophobicContact CZ-CD2 4.37Å; L434-L457 HydrophobicContact CD1-CD1 4.36Å; Y442-L457 HydrophobicContact CD1-CD1 4.49Å; V444-L457 HydrophobicContact CG2-CD1 3.84Å; L457-L459 HydrophobicContact CG-CD1 4.26Å; L457-Y471 HydrophobicContact CD2-CD1 3.54Å; L457-Y471 HydrophobicContact CD2-CE1 3.95Å; L457-Y471 HydrophobicContact CD2-CG 4.49Å
458V93.8Very high89.2Confident7 Ų756 Ų564%0.04230%0.301CS..EExtended strand (participates in β ladder)trans-104.4122.8-177.9176.20000109.4K409 K411 S443K409-V458 HydrophobicContact CD-CG1 4.41Å; K409-V458 HydrophobicContact CG-CG1 4.26Å; K411-V458 HydrophobicContact CG-CG2 4.19Å; S443-V458 PolarHBondContact N-O 3.22Å; S443-V458 PolarHBondContact O-N 2.9Å; S443-V458 PolarHBondContact OG-O 3.46Å
459L93.8Very high89.2Confident0 Ų052.8 Ų52.80%028%0.279CS..EExtended strand (participates in β ladder)trans-95.5126.5172.8-71.872.6000108.1K409 G410 L412 R441 Y442 L457 E461 T462 D466 L488K409-L459 CarbonylContact C-O 3.55Å; K409-L459 WeakPolarHBondContact CA-O 3.14Å; K409-L459 WeakPolarHBondContact CG-O 3.23Å; G410-L459 PolarHBondContact N-O 3.01Å; G410-L459 PolarHBondContact O-N 3.06Å; L412-L459 HydrophobicContact CD1-CD1 4.04Å; R441-L459 CarbonylContact O-C 3.35Å; R441-L459 WeakPolarHBondContact O-CA 3.36Å; Y442-L459 HydrophobicContact CD1-CD1 4.21Å; Y442-L459 HydrophobicContact CD1-CD2 4.45Å; Y442-L459 HydrophobicContact CD1-CG 3.78Å; Y442-L459 HydrophobicContact CE1-CD1 4.37Å; Y442-L459 HydrophobicContact CE1-CD2 3.91Å; Y442-L459 HydrophobicContact CE1-CG 3.74Å; L457-L459 HydrophobicContact CG-CD1 4.26Å; L459-E461 VanDerWaalsContact C-N 3.26Å; L459-E461 PolarHBondContact O-N 3.02Å; L459-T462 HydrophobicContact CD2-CG2 4.31Å; L459-D466 HydrophobicContact CD2-CB 3.98Å; L459-L488 HydrophobicContact CD2-CD2 4.35Å
460S90.5Very high89.5Confident80 Ų8058.9 Ų58.956%0.55930%0.296SS*.SBendtrans-66.3-30.9177.859.40000112.7R441R441-S460 PolarHBondContact O-N 3.03Å; R441-S460 PolarHBondContact O-OG 2.82Å
461E90.8Very high90.3Very high68 Ų6851 Ų5132%0.31825%0.254SS..SBendtrans-146.5149.1173.8-176.7-161.5-172.300108.4H407 S408 R441 L459H407-E461 IonicContact CE1-OE1 3.52Å; H407-E461 IonicContact CG-OE1 2.79Å; H407-E461 IonicContact ND1-OE1 2.62Å; H407-E461 PolarHBondContact ND1-OE1 2.82Å; S408-E461 CarbonylContact O-C 3.49Å; S408-E461 VanDerWaalsContact O-CA 3.27Å; S408-E461 WeakPolarHBondContact O-CA 3.3Å; R441-E461 VanDerWaalsContact NH1-C 3.32Å; R441-E461 PolarHBondContact NH1-O 2.71Å; R441-E461 IonicContact NH1-OE2 3.51Å; L459-E461 VanDerWaalsContact C-N 3.26Å; L459-E461 PolarHBondContact O-N 3.02Å
462T90.1Very high91.2Very high0 Ų045.7 Ų45.70%023%0.231CC..  trans-103.3129.4173.646.70000112.2A404 V405 K406 H407 S408 L459 D466 F467 L488A404-T462 HydrophobicContact CB-CG2 3.96Å; V405-T462 PolarHBondContact O-OG1 2.89Å; K406-T462 WeakPolarHBondContact CA-OG1 3.44Å; H407-T462 WeakPolarHBondContact CA-O 3.36Å; H407-T462 PolarHBondContact N-O 2.87Å; H407-T462 PolarHBondContact N-OG1 3.24Å; S408-T462 PolarHBondContact N-OG1 3.22Å; S408-T462 VanDerWaalsContact N-OG1 3.14Å; S408-T462 PolarHBondContact O-N 2.74Å; S408-T462 PolarHBondContact O-OG1 2.84Å; S408-T462 VanDerWaalsContact O-OG1 3.08Å; L459-T462 HydrophobicContact CD2-CG2 4.31Å; T462-D466 WeakPolarHBondContact CA-OD2 3.39Å; T462-F467 HydrophobicContact CG2-CZ 4.21Å; T462-L488 HydrophobicContact CG2-CD2 4.15Å
463L91.2Very high91.6Very high54 Ų5444.7 Ų44.728%0.28322%0.221SC..  trans-110.6163.8175-66.3174.5000111.4Q465 D466 F467L463-Q465 PolarHBondContact O-N 2.85Å; L463-Q465 VanDerWaalsContact O-N 3.11Å; L463-D466 PolarHBondContact N-OD2 3.39Å; L463-D466 WeakPolarHBondContact O-CB 3.4Å; L463-D466 PolarHBondContact O-N 2.89Å; L463-F467 VanDerWaalsContact O-CD2 3.32Å; L463-F467 WeakPolarHBondContact O-CD2 3.5Å
464V87.1Confident91.7Very high72 Ų7244.3 Ų44.344%0.43622%0.219SC..THydrogen-bonded Turntrans-54.3-32.1177.5-176.40000112.6K406K406-V464 HydrophobicContact CD-CG2 4.23Å; K406-V464 VanDerWaalsContact CE-CG2 3.47Å
465Q87.3Confident91.8Very high141 Ų14143.3 Ų43.366%0.65921%0.214SC*.THydrogen-bonded Turntrans-69.7-38.5177.9-67.1176.3-700112.1L463 F467 Q468 M469L463-Q465 PolarHBondContact O-N 2.85Å; L463-Q465 VanDerWaalsContact O-N 3.11Å; Q465-F467 PolarHBondContact O-N 2.82Å; Q465-Q468 WeakPolarHBondContact O-CA 3.48Å; Q465-Q468 PolarHBondContact O-N 2.8Å; Q465-M469 WeakPolarHBondContact O-CG 3.32Å; Q465-M469 PolarHBondContact O-N 2.98Å; Q465-M469 VanDerWaalsContact O-N 3.15Å
466D89.8Confident91.8Very high3 Ų346.6 Ų46.62%0.01623%0.226CC..G310 helixtrans-61-35.1-176.8-54.9-23.5000111R441 Y442 L459 T462 L463 Q468 M469 Y471 L488R441-D466 IonicContact CZ-OD2 3.99Å; R441-D466 IonicContact NH1-OD2 2.91Å; R441-D466 IonicContact NH2-OD1 3.76Å; R441-D466 PolarHBondContact NH2-OD1 3Å; R441-D466 VanDerWaalsContact NH2-OD1 3.17Å; R441-D466 IonicContact NH2-OD2 3.78Å; R441-D466 PolarHBondContact NH2-OD2 2.84Å; Y442-D466 PolarHBondContact OH-OD1 2.83Å; L459-D466 HydrophobicContact CD2-CB 3.98Å; T462-D466 WeakPolarHBondContact CA-OD2 3.39Å; L463-D466 PolarHBondContact N-OD2 3.39Å; L463-D466 WeakPolarHBondContact O-CB 3.4Å; L463-D466 PolarHBondContact O-N 2.89Å; D466-Q468 PolarHBondContact O-N 2.77Å; D466-M469 PolarHBondContact O-N 2.86Å; D466-Y471 WeakPolarHBondContact CA-OH 3.27Å; D466-Y471 WeakPolarHBondContact CB-OH 3.48Å; D466-Y471 WeakPolarHBondContact O-CE2 3.4Å; D466-Y471 PolarHBondContact O-OH 2.83Å; D466-L488 HydrophobicContact CB-CD2 4.41Å
467F89.9Confident91.7Very high29 Ų2946.9 Ų46.913%0.12723%0.228CC..G310 helixtrans-73.5-6.6175.1-55.7-61.4000114.9A404 K406 T462 L463 Q465 L488 E490A404-F467 HydrophobicContact CB-CE1 4.37Å; A404-F467 WeakPolarHBondContact O-CE1 3.16Å; A404-F467 WeakPolarHBondContact O-CZ 3.39Å; K406-F467 HydrophobicContact CB-CE2 3.81Å; K406-F467 HydrophobicContact CB-CZ 4.2Å; K406-F467 HydrophobicContact CG-CE2 4.14Å; T462-F467 HydrophobicContact CG2-CZ 4.21Å; L463-F467 VanDerWaalsContact O-CD2 3.32Å; L463-F467 WeakPolarHBondContact O-CD2 3.5Å; Q465-F467 PolarHBondContact O-N 2.82Å; F467-L488 WeakPolarHBondContact CA-O 3.44Å; F467-L488 HydrophobicContact CD1-CB 4.3Å; F467-L488 HydrophobicContact CD1-CD2 3.82Å; F467-L488 HydrophobicContact CD1-CG 3.74Å; F467-L488 HydrophobicContact CE1-CD2 3.7Å; F467-L488 HydrophobicContact CE1-CG 3.81Å; F467-E490 HydrophobicContact CD1-CB 4.1Å; F467-E490 HydrophobicContact CD2-CB 3.96Å; F467-E490 HydrophobicContact CD2-CG 4.4Å; F467-E490 HydrophobicContact CE1-CB 4.14Å; F467-E490 HydrophobicContact CE2-CB 4.02Å; F467-E490 HydrophobicContact CE2-CG 4.06Å; F467-E490 HydrophobicContact CG-CB 4Å; F467-E490 HydrophobicContact CZ-CB 4.09Å; F467-E490 HydrophobicContact CZ-CG 4.2Å
468Q87.2Confident91.6Very high161 Ų16155 Ų5575%0.75226%0.258SS*.G310 helixtrans-108.3-10.3173.8-60.1-176.72.200111.9Q465 D466Q465-Q468 WeakPolarHBondContact O-CA 3.48Å; Q465-Q468 PolarHBondContact O-N 2.8Å; D466-Q468 PolarHBondContact O-N 2.77Å
469M88.8Confident91.4Very high53 Ų5357.3 Ų57.326%0.26127%0.268SS..  trans-76.7158.5175.3-63.1-162.387.300112F429 Q465 D466 Y471F429-M469 HydrophobicContact CB-CE 4.4Å; F429-M469 HydrophobicContact CD2-CE 4.27Å; F429-M469 HydrophobicContact CD2-SD 4.34Å; Q465-M469 WeakPolarHBondContact O-CG 3.32Å; Q465-M469 PolarHBondContact O-N 2.98Å; Q465-M469 VanDerWaalsContact O-N 3.15Å; D466-M469 PolarHBondContact O-N 2.86Å; M469-Y471 HydrophobicContact CB-CE2 3.88Å
470R91.4Very high91.2Very high173 Ų17358.6 Ų58.665%0.65328%0.281SS*.EExtended strand (participates in β ladder)trans-112.4130.7171.3-72.8-179.1-175-173.51.7108.3F429 L485 T487F429-R470 WeakPolarHBondContact CA-O 3.33Å; F429-R470 WeakPolarHBondContact CB-O 3.09Å; R470-L485 HydrophobicContact CB-CD1 3.86Å; R470-L485 HydrophobicContact CG-CD1 4.22Å; R470-T487 HydrophobicContact CG-CG2 4.49Å
471Y94.3Very high91.3Very high0 Ų058.7 Ų58.70%028%0.278CS..EExtended strand (participates in β ladder)trans-112.6114.2-177.7-60.3-90.3000108.9L412 F429 L457 D466 M469 V486 L488L412-Y471 HydrophobicContact CD1-CD1 3.74Å; L412-Y471 HydrophobicContact CD1-CD2 3.61Å; L412-Y471 HydrophobicContact CD1-CE1 3.98Å; L412-Y471 HydrophobicContact CD1-CE2 3.84Å; L412-Y471 HydrophobicContact CD1-CG 3.56Å; F429-Y471 HydrophobicContact CB-CD1 3.4Å; F429-Y471 VanDerWaalsContact CB-CD1 3.4Å; F429-Y471 HydrophobicContact CB-CE1 3.68Å; F429-Y471 HydrophobicContact CB-CG 4.15Å; F429-Y471 AromaticContact CD1-CD1 3.7Å; F429-Y471 HydrophobicContact CD1-CD1 3.7Å; F429-Y471 HydrophobicContact CD1-CE1 4.03Å; F429-Y471 HydrophobicContact CD2-CD1 4.2Å; F429-Y471 AromaticContact CD2-CE1 3.74Å; F429-Y471 HydrophobicContact CD2-CE1 3.74Å; F429-Y471 HydrophobicContact CE2-CE1 4.35Å; F429-Y471 AromaticContact CG-CD1 3.51Å; F429-Y471 HydrophobicContact CG-CD1 3.51Å; F429-Y471 AromaticContact CG-CE1 3.55Å; F429-Y471 HydrophobicContact CG-CE1 3.55Å; L457-Y471 HydrophobicContact CD2-CD1 3.54Å; L457-Y471 HydrophobicContact CD2-CE1 3.95Å; L457-Y471 HydrophobicContact CD2-CG 4.49Å; D466-Y471 WeakPolarHBondContact CA-OH 3.27Å; D466-Y471 WeakPolarHBondContact CB-OH 3.48Å; D466-Y471 WeakPolarHBondContact O-CE2 3.4Å; D466-Y471 PolarHBondContact O-OH 2.83Å; M469-Y471 HydrophobicContact CB-CE2 3.88Å; Y471-V486 PolarHBondContact N-O 2.82Å; Y471-V486 PolarHBondContact O-N 2.9Å; Y471-L488 HydrophobicContact CE2-CB 4.09Å
472N94.8Very high91.4Very high51 Ų5156 Ų5627%0.27327%0.268SS..EExtended strand (participates in β ladder)trans-92.1120.9172.1-57.4-53.8000108.6W427 T428 T483 A484 L485W427-N472 CarbonylContact C-O 3.57Å; W427-N472 VanDerWaalsContact CA-O 3.29Å; W427-N472 WeakPolarHBondContact CA-O 3.4Å; T428-N472 PolarHBondContact N-O 3.28Å; T428-N472 PolarHBondContact O-N 2.97Å; T428-N472 PolarHBondContact OG1-ND2 3.31Å; N472-T483 HydrophobicContact CB-CG2 3.89Å; N472-A484 WeakPolarHBondContact CA-O 3.49Å; N472-L485 WeakPolarHBondContact OD1-CD1 3.41Å
473C94.6Very high91.5Very high0 Ų059.9 Ų59.90%029%0.292CS..EExtended strand (participates in β ladder)trans-89109.9160.4168.60000107.6I396 C414 W427 T483 A484I396-C473 VanDerWaalsContact CD1-O 3.25Å; I396-C473 WeakPolarHBondContact CD1-O 3.34Å; I396-C473 HydrophobicContact CG2-CB 4.5Å; C414-C473 HydrophobicContact CB-CB 3.61Å; C414-C473 WeakPolarHBondContact CB-SG 3.23Å; C414-C473 WeakPolarHBondContact SG-CB 3.23Å; C414-C473 CovalentContact SG-SG 2.03Å; C414-C473 PolarHBondContact SG-SG 2.83Å; W427-C473 HydrophobicContact CD2-CB 4.09Å; W427-C473 HydrophobicContact CE3-CB 3.91Å; W427-C473 HydrophobicContact CH2-CB 3.84Å; W427-C473 HydrophobicContact CZ2-CB 4Å; W427-C473 HydrophobicContact CZ3-CB 3.79Å; C473-T483 CarbonylContact O-C 3.57Å; C473-T483 WeakPolarHBondContact O-CA 3.21Å; C473-A484 PolarHBondContact N-O 3.05Å; C473-A484 PolarHBondContact O-N 3.32Å
474T94.8Very high91.7Very high14 Ų1457.9 Ų57.99%0.08628%0.284CS..EExtended strand (participates in β ladder)trans-111.7140.7178.1-58.20000109.7I425 V426 W476 G482 T483I425-T474 CarbonylContact C-O 3.54Å; I425-T474 WeakPolarHBondContact CA-O 3.36Å; V426-T474 PolarHBondContact N-O 2.87Å; V426-T474 PolarHBondContact O-N 2.96Å; T474-W476 HydrophobicContact CG2-CD2 4.06Å; T474-W476 HydrophobicContact CG2-CE3 3.84Å; T474-W476 HydrophobicContact CG2-CH2 3.21Å; T474-W476 HydrophobicContact CG2-CZ2 3.45Å; T474-W476 VanDerWaalsContact CG2-CZ2 3.45Å; T474-W476 HydrophobicContact CG2-CZ3 3.4Å; T474-W476 WeakPolarHBondContact O-CZ3 3.42Å; T474-G482 VanDerWaalsContact CA-O 3.32Å; T474-G482 WeakPolarHBondContact CA-O 3.48Å; T474-G482 VanDerWaalsContact CG2-O 3.31Å; T474-G482 WeakPolarHBondContact CG2-O 3.07Å; T474-T483 VanDerWaalsContact CG2-OG1 3.29Å; T474-T483 WeakPolarHBondContact CG2-OG1 3.47Å; T474-T483 WeakPolarHBondContact OG1-CG2 3.39Å; T474-T483 PolarHBondContact OG1-OG1 2.99Å
475A94.9Very high92Very high0 Ų058.5 Ų58.50%028%0.284CS..EExtended strand (participates in β ladder)trans-133.8146.4175.400000110.3P394 I396 V416 K424 I425 T481 G482P394-A475 HydrophobicContact CB-CB 3.89Å; P394-A475 HydrophobicContact CG-CB 4.23Å; I396-A475 HydrophobicContact CD1-CB 3.7Å; I396-A475 HydrophobicContact CG1-CB 4.31Å; V416-A475 HydrophobicContact CG1-CB 3.59Å; V416-A475 HydrophobicContact CG2-CB 4.07Å; K424-A475 WeakPolarHBondContact O-CA 3.47Å; I425-A475 HydrophobicContact CG1-CB 4.07Å; A475-T481 CarbonylContact O-C 3.57Å; A475-T481 VanDerWaalsContact O-CA 3.3Å; A475-T481 WeakPolarHBondContact O-CA 3.36Å; A475-G482 PolarHBondContact N-O 2.69Å; A475-G482 PolarHBondContact O-N 3.16Å
476W93.6Very high92.3Very high70 Ų7051.8 Ų51.827%0.26525%0.253SS..EExtended strand (participates in β ladder)trans-123.6145.6-178.5-64.2-112.5000110P422 D423 K424 V426 T474 G480 T481P422-W476 CarbonylContact C-O 3.59Å; P422-W476 WeakPolarHBondContact CA-O 3.45Å; D423-W476 PolarHBondContact N-O 2.56Å; K424-W476 HydrophobicContact CD-CB 4.47Å; K424-W476 HydrophobicContact CD-CD2 4.13Å; K424-W476 HydrophobicContact CD-CE3 4.1Å; K424-W476 HydrophobicContact CD-CG 4.31Å; K424-W476 VanDerWaalsContact CE-CD2 3.44Å; K424-W476 HydrophobicContact CG-CB 3.82Å; K424-W476 HydrophobicContact CG-CD2 4.02Å; K424-W476 HydrophobicContact CG-CE3 3.76Å; K424-W476 HydrophobicContact CG-CG 4.08Å; K424-W476 PolarHBondContact O-N 3.32Å; V426-W476 HydrophobicContact CB-CH2 3.84Å; V426-W476 HydrophobicContact CB-CZ3 3.58Å; V426-W476 HydrophobicContact CG2-CE3 4.29Å; V426-W476 HydrophobicContact CG2-CH2 3.8Å; V426-W476 HydrophobicContact CG2-CZ3 3.39Å; T474-W476 HydrophobicContact CG2-CD2 4.06Å; T474-W476 HydrophobicContact CG2-CE3 3.84Å; T474-W476 HydrophobicContact CG2-CH2 3.21Å; T474-W476 HydrophobicContact CG2-CZ2 3.45Å; T474-W476 VanDerWaalsContact CG2-CZ2 3.45Å; T474-W476 HydrophobicContact CG2-CZ3 3.4Å; T474-W476 WeakPolarHBondContact O-CZ3 3.42Å; W476-G480 WeakPolarHBondContact CA-O 3.49Å; W476-T481 HydrophobicContact CG-CG2 3.93Å
477N93.6Very high92.4Very high9 Ų953.5 Ų53.55%0.04826%0.263CS..EExtended strand (participates in β ladder)trans-140.6-178.4158.874.312.6000109.8G392 P394 S418 P420 D423 F479 G480G392-N477 PolarHBondContact O-ND2 2.99Å; P394-N477 HydrophobicContact CG-CB 3.98Å; S418-N477 PolarHBondContact OG-ND2 2.95Å; S418-N477 VanDerWaalsContact OG-ND2 3.08Å; P420-N477 PolarHBondContact O-ND2 2.95Å; D423-N477 WeakPolarHBondContact OD2-CA 3.46Å; N477-F479 PolarHBondContact O-N 2.96Å; N477-F479 WeakPolarHBondContact OD1-CB 3.33Å; N477-F479 PolarHBondContact OD1-N 2.87Å; N477-G480 PolarHBondContact N-O 2.9Å; N477-G480 PolarHBondContact O-N 2.82Å; N477-G480 VanDerWaalsContact O-N 3.08Å; N477-G480 PolarHBondContact OD1-N 3.3Å
478R91.8Very high92.5Very high170 Ų17052.1 Ų52.164%0.64226%0.257SS*.THydrogen-bonded Turntrans-54.6-14.3178.273.9177.2-73.2-102.81116.6D321 P420 D423D321-R478 IonicContact OD1-NH1 3.95Å; D321-R478 IonicContact OD2-CZ 2.7Å; D321-R478 IonicContact OD2-NH1 3.92Å; D321-R478 PolarHBondContact OD2-NH1 2.95Å; P420-R478 HydrophobicContact CG-CG 4.1Å; D423-R478 PolarHBondContact OD2-N 2.69Å; D423-R478 VanDerWaalsContact OD2-N 3.15Å
479F89.6Confident92.7Very high56 Ų5649.4 Ų49.425%0.24624%0.243CC..THydrogen-bonded Turntrans-100.6-16.1179.9-65.8-90.3000114D321 I322 N391 P420 N477D321-F479 HydrophobicContact CB-CE1 3.85Å; D321-F479 HydrophobicContact CB-CZ 4.15Å; D321-F479 WeakPolarHBondContact OD1-CZ 3.47Å; D321-F479 WeakPolarHBondContact OD2-CE1 3.44Å; D321-F479 VanDerWaalsContact OD2-CZ 3.24Å; D321-F479 WeakPolarHBondContact OD2-CZ 3.32Å; I322-F479 HydrophobicContact CG2-CD1 4.32Å; N391-F479 HydrophobicContact CB-CD2 4.43Å; N391-F479 HydrophobicContact CB-CE1 4.18Å; N391-F479 HydrophobicContact CB-CE2 3.58Å; N391-F479 HydrophobicContact CB-CZ 3.39Å; P420-F479 HydrophobicContact CG-CD2 4.31Å; P420-F479 HydrophobicContact CG-CE2 3.96Å; N477-F479 PolarHBondContact O-N 2.96Å; N477-F479 WeakPolarHBondContact OD1-CB 3.33Å; N477-F479 PolarHBondContact OD1-N 2.87Å
480G90.1Very high92.7Very high26 Ų2651.4 Ų51.427%0.26825%0.252SS..EExtended strand (participates in β ladder)trans147.7-149.9-178.700000113.7W476 N477W476-G480 WeakPolarHBondContact CA-O 3.49Å; N477-G480 PolarHBondContact N-O 2.9Å; N477-G480 PolarHBondContact O-N 2.82Å; N477-G480 VanDerWaalsContact O-N 3.08Å; N477-G480 PolarHBondContact OD1-N 3.3Å
481T92.8Very high92.4Very high82 Ų8247.8 Ų47.850%0.50324%0.242SC..EExtended strand (participates in β ladder)trans-136.9129.5-16668.90000112.4A475 W476A475-T481 CarbonylContact O-C 3.57Å; A475-T481 VanDerWaalsContact O-CA 3.3Å; A475-T481 WeakPolarHBondContact O-CA 3.36Å; W476-T481 HydrophobicContact CG-CG2 3.93Å
482G91.6Very high91.5Very high11 Ų1155.5 Ų55.511%0.11328%0.278CS..EExtended strand (participates in β ladder)trans-96.9149.7164.500000110.8P394 I396 T474 A475P394-G482 VanDerWaalsContact O-CA 3.25Å; P394-G482 WeakPolarHBondContact O-CA 3.17Å; I396-G482 VanDerWaalsContact CD1-C 3.44Å; I396-G482 VanDerWaalsContact CD1-O 3.31Å; I396-G482 WeakPolarHBondContact CD1-O 3.32Å; T474-G482 VanDerWaalsContact CA-O 3.32Å; T474-G482 WeakPolarHBondContact CA-O 3.48Å; T474-G482 VanDerWaalsContact CG2-O 3.31Å; T474-G482 WeakPolarHBondContact CG2-O 3.07Å; A475-G482 PolarHBondContact N-O 2.69Å; A475-G482 PolarHBondContact O-N 3.16Å
483T93.4Very high90Very high82 Ų8256.5 Ų56.550%0.50329%0.294SS..EExtended strand (participates in β ladder)trans-143.3127.5168.1-64.60000110.5N472 C473 T474N472-T483 HydrophobicContact CB-CG2 3.89Å; C473-T483 CarbonylContact O-C 3.57Å; C473-T483 WeakPolarHBondContact O-CA 3.21Å; T474-T483 VanDerWaalsContact CG2-OG1 3.29Å; T474-T483 WeakPolarHBondContact CG2-OG1 3.47Å; T474-T483 WeakPolarHBondContact OG1-CG2 3.39Å; T474-T483 PolarHBondContact OG1-OG1 2.99Å
484A93.8Very high88.4Confident13 Ų1362.4 Ų62.411%0.10732%0.324CS..EExtended strand (participates in β ladder)trans-108.1130.816800000110.3I396 A398 N472 C473I396-A484 HydrophobicContact CB-CB 3.96Å; I396-A484 HydrophobicContact CG2-CB 3.5Å; I396-A484 VanDerWaalsContact CG2-CB 3.5Å; A398-A484 HydrophobicContact CB-CB 4.11Å; N472-A484 WeakPolarHBondContact CA-O 3.49Å; C473-A484 PolarHBondContact N-O 3.05Å; C473-A484 PolarHBondContact O-N 3.32Å
485L93.7Very high86.7Confident85 Ų8565.4 Ų65.445%0.44534%0.344SS..EExtended strand (participates in β ladder)trans-86.7120.2172.5177.268.3000109.5R470 N472R470-L485 HydrophobicContact CB-CD1 3.86Å; R470-L485 HydrophobicContact CG-CD1 4.22Å; N472-L485 WeakPolarHBondContact OD1-CD1 3.41Å
486V94.3Very high84.8Confident0 Ų072.3 Ų72.30%038%0.378CS..EExtended strand (participates in β ladder)trans-115.5136.7176.1-170.70000109.4A398 Q402 L412 W427 Y471A398-V486 HydrophobicContact CB-CG2 3.81Å; Q402-V486 HydrophobicContact CB-CG1 4.39Å; Q402-V486 HydrophobicContact CG-CG1 4.09Å; L412-V486 HydrophobicContact CD2-CB 4.38Å; L412-V486 HydrophobicContact CD2-CG1 3.44Å; L412-V486 VanDerWaalsContact CD2-CG1 3.44Å; W427-V486 HydrophobicContact CH2-CG2 4.24Å; W427-V486 HydrophobicContact CZ3-CB 4.34Å; W427-V486 HydrophobicContact CZ3-CG2 4.14Å; Y471-V486 PolarHBondContact N-O 2.82Å; Y471-V486 PolarHBondContact O-N 2.9Å
487T91.9Very high82.8Confident38 Ų3875.8 Ų75.823%0.23340%0.401CS..EExtended strand (participates in β ladder)trans-115.5133173.753.60000109.8A400 T401 Q402 R470A400-T487 PolarHBondContact O-N 2.87Å; A400-T487 PolarHBondContact O-OG1 2.91Å; T401-T487 WeakPolarHBondContact CA-O 3.42Å; T401-T487 PolarHBondContact OG1-OG1 2.87Å; Q402-T487 PolarHBondContact N-O 3.35Å; R470-T487 HydrophobicContact CG-CG2 4.49Å
488L91.9Very high81Confident1 Ų181.8 Ų81.81%0.00543%0.431CS..EExtended strand (participates in β ladder)trans-90.3127.7172.2-167.370.1000108.4Q402 A404 L412 L459 T462 D466 F467 Y471Q402-L488 CarbonylContact O-C 3.57Å; Q402-L488 WeakPolarHBondContact O-CA 3.41Å; A404-L488 HydrophobicContact CB-CD1 3.95Å; A404-L488 HydrophobicContact CB-CD2 4.44Å; A404-L488 HydrophobicContact CB-CG 4.49Å; L412-L488 HydrophobicContact CD2-CB 4.18Å; L412-L488 HydrophobicContact CD2-CD1 3.9Å; L412-L488 HydrophobicContact CG-CD1 4.18Å; L459-L488 HydrophobicContact CD2-CD2 4.35Å; T462-L488 HydrophobicContact CG2-CD2 4.15Å; D466-L488 HydrophobicContact CB-CD2 4.41Å; F467-L488 WeakPolarHBondContact CA-O 3.44Å; F467-L488 HydrophobicContact CD1-CB 4.3Å; F467-L488 HydrophobicContact CD1-CD2 3.82Å; F467-L488 HydrophobicContact CD1-CG 3.74Å; F467-L488 HydrophobicContact CE1-CD2 3.7Å; F467-L488 HydrophobicContact CE1-CG 3.81Å; Y471-L488 HydrophobicContact CE2-CB 4.09Å
489K90.8Very high79.2Confident104 Ų10479.6 Ų79.645%0.45243%0.43SS..EExtended strand (participates in β ladder)trans-112.7143.3171.1-71.7-176.6-163.4155.40110.9T401 Q402 A404 Q491T401-K489 HydrophobicContact CG2-CB 4.2Å; T401-K489 HydrophobicContact CG2-CD 3.5Å; T401-K489 VanDerWaalsContact CG2-CD 3.5Å; T401-K489 HydrophobicContact CG2-CG 3.83Å; T401-K489 WeakPolarHBondContact OG1-CE 3.27Å; T401-K489 PolarHBondContact OG1-NZ 2.9Å; T401-K489 VanDerWaalsContact OG1-NZ 3.11Å; Q402-K489 PolarHBondContact O-N 2.82Å; A404-K489 PolarHBondContact N-O 2.92Å; K489-Q491 PolarHBondContact O-N 2.87Å
490E89.1Confident77.5Confident95 Ų9580.7 Ų80.744%0.44444%0.441SS..EExtended strand (participates in β ladder)trans-60.4120.3172.6-171.1164.3177.300108.2K406 F467K406-E490 HydrophobicContact CB-CG 4.11Å; K406-E490 VanDerWaalsContact CB-OE1 3.25Å; K406-E490 WeakPolarHBondContact CB-OE1 3.45Å; K406-E490 WeakPolarHBondContact CD-OE1 3.42Å; F467-E490 HydrophobicContact CD1-CB 4.1Å; F467-E490 HydrophobicContact CD2-CB 3.96Å; F467-E490 HydrophobicContact CD2-CG 4.4Å; F467-E490 HydrophobicContact CE1-CB 4.14Å; F467-E490 HydrophobicContact CE2-CB 4.02Å; F467-E490 HydrophobicContact CE2-CG 4.06Å; F467-E490 HydrophobicContact CG-CB 4Å; F467-E490 HydrophobicContact CZ-CB 4.09Å; F467-E490 HydrophobicContact CZ-CG 4.2Å
491Q85Confident76Confident96 Ų9681.4 Ų81.445%0.44945%0.449SS..PPolyproline II helixtrans-85.1117.2172.9-166.9172.1400107.6H403 A404 V405 K489 A493H403-Q491 HydrophobicContact CB-CB 4.13Å; H403-Q491 HydrophobicContact CB-CG 4.34Å; A404-Q491 PolarHBondContact O-N 2.92Å; V405-Q491 HydrophobicContact CG2-CB 4.23Å; K489-Q491 PolarHBondContact O-N 2.87Å; Q491-A493 PolarHBondContact O-N 2.83Å
492E76.1Confident74.4Confident163 Ų16379.9 Ų79.976%0.76245%0.449SS*.PPolyproline II helixtrans-56.7117.7169.5-68.3-174.2-176.100108.7L494E492-L494 PolarHBondContact O-N 3.11Å
493A63.6Low72.9Confident72 Ų7282.8 Ų82.860%0.59547%0.472SS*.  trans-70.882.9173.800000108.5V405 Q491 P495V405-A493 HydrophobicContact CG1-CB 4.04Å; V405-A493 HydrophobicContact CG2-CB 4.36Å; Q491-A493 PolarHBondContact O-N 2.83Å; A493-P495 VanDerWaalsContact O-N 3.07Å
494L60.5Low71.6Confident123 Ų12383 Ų8364%0.64447%0.474SS*.  trans-47.4117.8178.5-72.5175.6000108.8E492 M496E492-L494 PolarHBondContact O-N 3.11Å; L494-M496 PolarHBondContact O-N 3.39Å
495P59.4Low70.2Confident77 Ų7784.1 Ų84.150%0.549%0.486SS..  trans-62.3128.5-175.424.6-33.1000108.1A493 L497 M498A493-P495 VanDerWaalsContact O-N 3.07Å; P495-L497 PolarHBondContact O-N 2.76Å; P495-M498 HydrophobicContact CG-CG 4.21Å; P495-M498 PolarHBondContact O-N 2.83Å
496M54.3Low69.1Low145 Ų14581.9 Ų81.971%0.71448%0.484SS*.THydrogen-bonded Turntrans-55.5-23.3-171.4-157-144.7-62.300113.1L494 M498 I499 V500L494-M496 PolarHBondContact O-N 3.39Å; M496-M498 PolarHBondContact O-N 2.91Å; M496-M498 VanDerWaalsContact O-N 3.16Å; M496-I499 PolarHBondContact O-N 3.08Å; M496-I499 VanDerWaalsContact O-N 3.08Å; M496-V500 PolarHBondContact O-N 2.83Å; M496-V500 HydrophobicContact SD-CG2 4.28Å
497L52.8Low68Low143 Ų14383.6 Ų83.675%0.74950%0.501SS*.Hα-helixtrans-42.8-35.3164.3-85.7142.4000115.1P495 G501P495-L497 PolarHBondContact O-N 2.76Å; L497-G501 WeakPolarHBondContact O-CA 3.22Å; L497-G501 PolarHBondContact O-N 3Å
498M54.1Low67.2Low136 Ų13685 Ų8567%0.6751%0.511SS*.Hα-helixtrans-71.5-39.3179-70.1-72.9-97.100112.2P495 M496 G501 G502P495-M498 HydrophobicContact CG-CG 4.21Å; P495-M498 PolarHBondContact O-N 2.83Å; M496-M498 PolarHBondContact O-N 2.91Å; M496-M498 VanDerWaalsContact O-N 3.16Å; M498-G501 PolarHBondContact O-N 3.39Å; M498-G502 PolarHBondContact O-N 3.21Å
499I53.9Low66.5Low124 Ų12489.2 Ų89.264%0.63654%0.537SS*.Hα-helixtrans-72.9-43.6178.5-58177.5000109.9M496 G501 G502 A503M496-I499 PolarHBondContact O-N 3.08Å; M496-I499 VanDerWaalsContact O-N 3.08Å; I499-G501 VanDerWaalsContact C-N 3.34Å; I499-G502 PolarHBondContact O-N 2.83Å; I499-A503 PolarHBondContact O-N 2.88Å
500V55.2Low65.8Low78 Ų7890 Ų9047%0.47355%0.546SS..Hα-helixtrans-63.9-40.4173178.30000111M496 G502 A503 V504M496-V500 PolarHBondContact O-N 2.83Å; M496-V500 HydrophobicContact SD-CG2 4.28Å; V500-G502 PolarHBondContact O-N 2.83Å; V500-A503 PolarHBondContact O-N 3.13Å; V500-V504 HydrophobicContact CG1-CG2 4.14Å; V500-V504 WeakPolarHBondContact O-CB 3.39Å; V500-V504 WeakPolarHBondContact O-CG2 3.36Å; V500-V504 PolarHBondContact O-N 3.09Å
501G57.1Low65.3Low41 Ų4190.4 Ų90.442%0.42355%0.55SS.*Hα-helixtrans-63.8-38.1177.500000113.2L497 M498 I499 G505L497-G501 WeakPolarHBondContact O-CA 3.22Å; L497-G501 PolarHBondContact O-N 3Å; M498-G501 PolarHBondContact O-N 3.39Å; I499-G501 VanDerWaalsContact C-N 3.34Å; G501-G505 WeakPolarHBondContact O-CA 3.49Å; G501-G505 PolarHBondContact O-N 2.98Å
502G59.8Low65Low50 Ų5090.8 Ų90.852%0.51556%0.555SS.*Hα-helixtrans-62.6-46.5171.800000112.6M498 I499 V500 G506M498-G502 PolarHBondContact O-N 3.21Å; I499-G502 PolarHBondContact O-N 2.83Å; V500-G502 PolarHBondContact O-N 2.83Å; G502-G506 PolarHBondContact O-N 2.87Å
503A60Low65.1Low73 Ų7386 Ų8660%0.60354%0.539SS*.Hα-helixtrans-65.5-45.3178.500000112.8I499 V500 G507I499-A503 PolarHBondContact O-N 2.88Å; V500-A503 PolarHBondContact O-N 3.13Å; A503-G507 PolarHBondContact O-N 2.79Å
504V65.7Low65.9Low87 Ų8786.5 Ų86.553%0.52753%0.534SS..Hα-helixtrans-69.6-40.7178.2173.70000111.2V500 G507 C508V500-V504 HydrophobicContact CG1-CG2 4.14Å; V500-V504 WeakPolarHBondContact O-CB 3.39Å; V500-V504 WeakPolarHBondContact O-CG2 3.36Å; V500-V504 PolarHBondContact O-N 3.09Å; V504-G507 PolarHBondContact O-N 2.94Å; V504-C508 WeakPolarHBondContact O-CB 3.39Å; V504-C508 PolarHBondContact O-N 2.83Å; V504-C508 PolarHBondContact O-SG 2.87Å; V504-C508 VanDerWaalsContact O-SG 3.35Å
505G65.4Low66.7Low35 Ų3585.6 Ų85.636%0.36153%0.528SS..Hα-helixtrans-61.9-48.6175.800000112.4G501 G507 C508 V509G501-G505 WeakPolarHBondContact O-CA 3.49Å; G501-G505 PolarHBondContact O-N 2.98Å; G505-G507 VanDerWaalsContact C-N 3.34Å; G505-G507 PolarHBondContact O-N 2.73Å; G505-C508 PolarHBondContact O-N 3.35Å; G505-V509 WeakPolarHBondContact O-CG2 3.2Å; G505-V509 PolarHBondContact O-N 3.37Å
506G70.5Confident67.5Low39 Ų3985.1 Ų85.140%0.40252%0.524SS..Hα-helixtrans-60.2-42.5173.800000112.6G502 V509 L510G502-G506 PolarHBondContact O-N 2.87Å; G506-V509 PolarHBondContact O-N 3.04Å; G506-L510 PolarHBondContact O-N 2.9Å
507G70.9Confident68.5Low35 Ų3583.4 Ų83.436%0.36152%0.518SS..Hα-helixtrans-59.4-46.5174.200000113.1A503 V504 G505 L510 L511A503-G507 PolarHBondContact O-N 2.79Å; V504-G507 PolarHBondContact O-N 2.94Å; G505-G507 VanDerWaalsContact C-N 3.34Å; G505-G507 PolarHBondContact O-N 2.73Å; G507-L510 WeakPolarHBondContact O-CB 3.35Å; G507-L510 PolarHBondContact O-N 2.76Å; G507-L511 WeakPolarHBondContact O-CB 3.06Å; G507-L511 PolarHBondContact O-N 2.85Å
508C74.6Confident69.4Low67 Ų6780.6 Ų80.645%0.45351%0.506SS..Hα-helixtrans-64.3-40.1177.2-74.60000112.8V504 G505 L511 I512V504-C508 WeakPolarHBondContact O-CB 3.39Å; V504-C508 PolarHBondContact O-N 2.83Å; V504-C508 PolarHBondContact O-SG 2.87Å; V504-C508 VanDerWaalsContact O-SG 3.35Å; G505-C508 PolarHBondContact O-N 3.35Å; C508-L511 PolarHBondContact O-N 3.37Å; C508-I512 VanDerWaalsContact O-CG1 3.3Å; C508-I512 WeakPolarHBondContact O-CG1 3.25Å; C508-I512 PolarHBondContact O-N 2.9Å
509V77.9Confident70.1Confident91 Ų9177 Ų7755%0.55250%0.495SS*.Hα-helixtrans-64.2-43.8175.3171.80000111G505 G506 L511 I512 C513G505-V509 WeakPolarHBondContact O-CG2 3.2Å; G505-V509 PolarHBondContact O-N 3.37Å; G506-V509 PolarHBondContact O-N 3.04Å; V509-L511 VanDerWaalsContact C-N 3.34Å; V509-L511 PolarHBondContact O-N 3.13Å; V509-I512 PolarHBondContact O-N 3.29Å; V509-C513 PolarHBondContact O-N 2.9Å; V509-C513 PolarHBondContact O-SG 3.08Å; V509-C513 VanDerWaalsContact O-SG 3.38Å
510L76.7Confident70.8Confident120 Ų12076.7 Ų76.763%0.62849%0.493SS*.Hα-helixtrans-57.6-45.3172.3-97.6163.7000112G506 G507 I512 C513 V514G506-L510 PolarHBondContact O-N 2.9Å; G507-L510 WeakPolarHBondContact O-CB 3.35Å; G507-L510 PolarHBondContact O-N 2.76Å; L510-I512 PolarHBondContact O-N 3.45Å; L510-C513 PolarHBondContact O-N 2.92Å; L510-V514 WeakPolarHBondContact O-CG2 3.46Å; L510-V514 PolarHBondContact O-N 2.84Å
511L77.6Confident71.1Confident104 Ų10477 Ų7755%0.54550%0.498SS..Hα-helixtrans-62.6-41.4179.1-127.3163.6000111.9G507 C508 V509 V514 I515G507-L511 WeakPolarHBondContact O-CB 3.06Å; G507-L511 PolarHBondContact O-N 2.85Å; C508-L511 PolarHBondContact O-N 3.37Å; V509-L511 VanDerWaalsContact C-N 3.34Å; V509-L511 PolarHBondContact O-N 3.13Å; L511-V514 PolarHBondContact O-N 3.23Å; L511-I515 HydrophobicContact CD2-CD1 3.75Å; L511-I515 HydrophobicContact CD2-CG1 4.26Å; L511-I515 VanDerWaalsContact O-CG1 3.27Å; L511-I515 WeakPolarHBondContact O-CG1 3.45Å; L511-I515 PolarHBondContact O-N 2.04Å
512I79.8Confident71.2Confident104 Ų10479.5 Ų79.553%0.53351%0.508SS..Hα-helixtrans-63.5-44.1174.7-69.1164000110.9C508 V509 L510 V514 I515 T516C508-I512 VanDerWaalsContact O-CG1 3.3Å; C508-I512 WeakPolarHBondContact O-CG1 3.25Å; C508-I512 PolarHBondContact O-N 2.9Å; V509-I512 PolarHBondContact O-N 3.29Å; L510-I512 PolarHBondContact O-N 3.45Å; I512-V514 VanDerWaalsContact C-N 3.33Å; I512-V514 PolarHBondContact O-N 3.4Å; I512-I515 PolarHBondContact O-N 2.87Å; I512-T516 WeakPolarHBondContact O-CG2 3.39Å; I512-T516 PolarHBondContact O-N 2.97Å; I512-T516 PolarHBondContact O-OG1 3.13Å
513C78.4Confident71.2Confident63 Ų6387.7 Ų87.743%0.42652%0.523SS..Hα-helixtrans-62.7-36.3176.2-71.30000113V509 L510 T516 L517V509-C513 PolarHBondContact O-N 2.9Å; V509-C513 PolarHBondContact O-SG 3.08Å; V509-C513 VanDerWaalsContact O-SG 3.38Å; L510-C513 PolarHBondContact O-N 2.92Å; C513-T516 PolarHBondContact O-OG1 3.3Å; C513-T516 VanDerWaalsContact O-OG1 3.04Å; C513-L517 WeakPolarHBondContact O-CB 3.12Å; C513-L517 WeakPolarHBondContact O-CD1 3.33Å; C513-L517 WeakPolarHBondContact O-CG 3.43Å; C513-L517 PolarHBondContact O-N 2.81Å; C513-L517 VanDerWaalsContact O-N 3.15Å
514V79.2Confident70.9Confident82 Ų8292.3 Ų92.350%0.49753%0.532SS..Hα-helixtrans-68.1-42173172.10000111L510 L511 I512 L517 V518L510-V514 WeakPolarHBondContact O-CG2 3.46Å; L510-V514 PolarHBondContact O-N 2.84Å; L511-V514 PolarHBondContact O-N 3.23Å; I512-V514 VanDerWaalsContact C-N 3.33Å; I512-V514 PolarHBondContact O-N 3.4Å; V514-L517 PolarHBondContact O-N 2.81Å; V514-V518 HydrophobicContact CG1-CG2 4.49Å; V514-V518 WeakPolarHBondContact O-CG2 3.39Å; V514-V518 PolarHBondContact O-N 2.78Å
515I77.6Confident70.2Confident103 Ų10393.9 Ų93.953%0.52854%0.542SS..Hα-helixtrans-64.7-41.1178.2-70.4164.7000111.5L511 I512 V518 S519L511-I515 HydrophobicContact CD2-CD1 3.75Å; L511-I515 HydrophobicContact CD2-CG1 4.26Å; L511-I515 VanDerWaalsContact O-CG1 3.27Å; L511-I515 WeakPolarHBondContact O-CG1 3.45Å; L511-I515 PolarHBondContact O-N 2.04Å; I512-I515 PolarHBondContact O-N 2.87Å; I515-V518 PolarHBondContact O-N 3.43Å; I515-S519 WeakPolarHBondContact O-CB 3.33Å; I515-S519 PolarHBondContact O-N 2.96Å
516T77.1Confident69.3Low68 Ų6895.2 Ų95.242%0.41756%0.555SS.*Hα-helixtrans-66.1-43176.854.70000111.7I512 C513 V518 S519 L520I512-T516 WeakPolarHBondContact O-CG2 3.39Å; I512-T516 PolarHBondContact O-N 2.97Å; I512-T516 PolarHBondContact O-OG1 3.13Å; C513-T516 PolarHBondContact O-OG1 3.3Å; C513-T516 VanDerWaalsContact O-OG1 3.04Å; T516-V518 PolarHBondContact O-N 3.47Å; T516-S519 PolarHBondContact O-N 2.87Å; T516-S519 PolarHBondContact O-OG 3.07Å; T516-L520 WeakPolarHBondContact O-CG 3.43Å; T516-L520 PolarHBondContact O-N 3.47Å
517L74.4Confident68Low109 Ų109103.3 Ų103.357%0.57158%0.58SS**Hα-helixtrans-57-47.7172.3-78.6167.1000112.3C513 V514 S519 L520 C521C513-L517 WeakPolarHBondContact O-CB 3.12Å; C513-L517 WeakPolarHBondContact O-CD1 3.33Å; C513-L517 WeakPolarHBondContact O-CG 3.43Å; C513-L517 PolarHBondContact O-N 2.81Å; C513-L517 VanDerWaalsContact O-N 3.15Å; V514-L517 PolarHBondContact O-N 2.81Å; L517-S519 VanDerWaalsContact C-N 3.31Å; L517-S519 PolarHBondContact O-N 2.79Å; L517-L520 PolarHBondContact O-N 2.7Å; L517-C521 PolarHBondContact O-N 3.38Å; L517-C521 VanDerWaalsContact O-N 3.08Å; L517-C521 PolarHBondContact O-SG 3.02Å
518V72.1Confident66.6Low83 Ų83105 Ų10550%0.50360%0.597SS.*Hα-helixtrans-61.2-40.4176170.50000111.1V514 I515 T516 L520 C521 C522V514-V518 HydrophobicContact CG1-CG2 4.49Å; V514-V518 WeakPolarHBondContact O-CG2 3.39Å; V514-V518 PolarHBondContact O-N 2.78Å; I515-V518 PolarHBondContact O-N 3.43Å; T516-V518 PolarHBondContact O-N 3.47Å; V518-L520 VanDerWaalsContact C-N 3.32Å; V518-L520 PolarHBondContact O-N 2.75Å; V518-C521 PolarHBondContact O-N 2.89Å; V518-C522 WeakPolarHBondContact O-CB 3.11Å; V518-C522 PolarHBondContact O-N 3.28Å; V518-C522 PolarHBondContact O-SG 2.75Å; V518-C522 VanDerWaalsContact O-SG 3.33Å
519S68.6Low65.1Low62 Ų62111.8 Ų111.843%0.43462%0.619SS.*Hα-helixtrans-64.6-33.2178.581.90000113.5I515 T516 L517 R523I515-S519 WeakPolarHBondContact O-CB 3.33Å; I515-S519 PolarHBondContact O-N 2.96Å; T516-S519 PolarHBondContact O-N 2.87Å; T516-S519 PolarHBondContact O-OG 3.07Å; L517-S519 VanDerWaalsContact C-N 3.31Å; L517-S519 PolarHBondContact O-N 2.79Å; S519-R523 PolarHBondContact O-N 3.43Å
520L68.1Low63.2Low116 Ų116119.4 Ų119.461%0.60764%0.638SS**Hα-helixtrans-70.1-47.5174.8-74.7162.2000110.7T516 L517 V518 C522 R523 H524T516-L520 WeakPolarHBondContact O-CG 3.43Å; T516-L520 PolarHBondContact O-N 3.47Å; L517-L520 PolarHBondContact O-N 2.7Å; V518-L520 VanDerWaalsContact C-N 3.32Å; V518-L520 PolarHBondContact O-N 2.75Å; L520-C522 VanDerWaalsContact C-N 3.34Å; L520-C522 PolarHBondContact O-N 2.77Å; L520-R523 PolarHBondContact O-N 3.14Å; L520-R523 VanDerWaalsContact O-N 3.15Å; L520-H524 PolarHBondContact O-N 2.84Å
521C62Low61.1Low86 Ų86119.6 Ų119.658%0.58165%0.648SS**Hα-helixtrans-58.9-43.3175.4-68.30000112.3L517 V518 R523 H524L517-C521 PolarHBondContact O-N 3.38Å; L517-C521 VanDerWaalsContact O-N 3.08Å; L517-C521 PolarHBondContact O-SG 3.02Å; V518-C521 PolarHBondContact O-N 2.89Å; C521-R523 VanDerWaalsContact C-N 3.26Å; C521-R523 PolarHBondContact O-N 3.15Å; C521-H524 PolarHBondContact O-N 3.22Å
522C59.4Low59.3Low92 Ų92121.7 Ų121.762%0.62267%0.665SS**Hα-helixtrans-68.4-18.8178.1-720000114.3V518 L520V518-C522 WeakPolarHBondContact O-CB 3.11Å; V518-C522 PolarHBondContact O-N 3.28Å; V518-C522 PolarHBondContact O-SG 2.75Å; V518-C522 VanDerWaalsContact O-SG 3.33Å; L520-C522 VanDerWaalsContact C-N 3.34Å; L520-C522 PolarHBondContact O-N 2.77Å
523R58.7Low56.9Low223 Ų223128.2 Ų128.284%0.84268%0.683SS**Hα-helixtrans-82.9-19.9172.7-83.7-178163.4178.4-4113.6S519 L520 C521S519-R523 PolarHBondContact O-N 3.43Å; L520-R523 PolarHBondContact O-N 3.14Å; L520-R523 VanDerWaalsContact O-N 3.15Å; C521-R523 VanDerWaalsContact C-N 3.26Å; C521-R523 PolarHBondContact O-N 3.15Å
524H54.3Low54.9Low169 Ų169133.8 Ų133.878%0.78271%0.708SS**Hα-helixtrans-93.7-8.6-173.3-147.6-68.9000114.5L520 C521 G526L520-H524 PolarHBondContact O-N 2.84Å; C521-H524 PolarHBondContact O-N 3.22Å; H524-G526 VanDerWaalsContact C-N 3.31Å; H524-G526 PolarHBondContact O-N 2.89Å
525T50.2Low52.8Low121 Ų121134.8 Ų134.874%0.74272%0.719SS**  trans-94.339.8-176.346.20000113.3
526G46.9Very low50.6Low62 Ų62137.3 Ų137.364%0.63973%0.726SS**  trans-98.214.2-162.400000119.1H524H524-G526 VanDerWaalsContact C-N 3.31Å; H524-G526 PolarHBondContact O-N 2.89Å
527K43.8Very low49.4Very low210 Ų210138.9 Ų138.991%0.91374%0.739SS**SBendtrans-163.6140.8165.9-105142.7-171.7176.20111.4
528G40.3Very low47.4Very low71 Ų71139.9 Ų139.973%0.73275%0.745SS**  trans-90.9-166.7177.200000113
529K44.3Very low45.9Very low209 Ų209142.4 Ų142.491%0.90975%0.754SS**  cis-175.5122.9-8.5-117.9177.1-178.2-179.90106.6
530R36.8Very low44Very low251 Ų251150.5 Ų150.595%0.94778%0.776SS**  trans-158.7154.4154.7-134.5179.4-75-170.2-0.1109.9
531C33.1Very low42.2Very low123 Ų123150.1 Ų150.183%0.83178%0.778SS**  trans-111.1138.9-159.7-55.90000114
532T40.3Very low40.7Very low149 Ų149154 Ų15491%0.91479%0.787SS**  trans-131.4152.5139.931.20000108.2
533R30Very low39.7Very low240 Ų240155.6 Ų155.691%0.90679%0.788SS**  trans-87.7140.5-170.7-70.4172.1168.3161.9-6.9111.7
534L36.5Very low38.4Very low180 Ų180150.9 Ų150.994%0.94278%0.784SS**  trans-119.9133137.6-109.392.8000108.8
535S33.6Very low37.3Very low104 Ų104150.7 Ų150.773%0.72778%0.783SS**  trans-101.6114.7170.5-174.80000106.2
536K32.3Very low36.4Very low156 Ų156150.1 Ų150.168%0.67878%0.784SS**  56.9115.391.1-158.7-128.6173.1-171.10112.6D538K536-D538 IonicContact NZ-OD2 3.39Å; K536-D538 PolarHBondContact NZ-OD2 3Å
537S52.7Low35.8Very low101 Ų101153.8 Ų153.871%0.70679%0.789SS**  trans-64160.9165.944.90000112.4
538D30.4Very low35.4Very low130 Ų130151.5 Ų151.570%0.69578%0.781SS**  trans-151.2164.2153.8-126.4-43.8000112.7K536K536-D538 IonicContact NZ-OD2 3.39Å; K536-D538 PolarHBondContact NZ-OD2 3Å
539I41.3Very low35Very low135 Ų135155.1 Ų155.169%0.69278%0.784SS**  trans-120.9147.5-160.9-64.2156.9000111.1V541I539-V541 HydrophobicContact CG2-CG2 4.36Å
540R29.5Very low34.5Very low233 Ų233149.2 Ų149.288%0.87977%0.774SS**  trans-143.6134.8144.4-69-159-173.1-124.7-6110.3
541V30.1Very low34.3Very low107 Ų107143.7 Ų143.765%0.64877%0.769SS**  cis82.4128.742.9168.40000110.6I539I539-V541 HydrophobicContact CG2-CG2 4.36Å
542Q31.1Very low34.1Very low167 Ų167149.8 Ų149.878%0.7877%0.774SS**  cis-158.3177.95.1-128.2175.4-32.600108.6
543I36.5Very low33.6Very low126 Ų126146.6 Ų146.665%0.64677%0.771SS**  cis-118.8-124.42.4-35163.8000110.9
544V31.8Very low33.7Very low125 Ų125141.7 Ų141.776%0.75876%0.763SS**  cis-144.5164.45.5-171.30000109.8
545H32.8Very low33.5Very low164 Ų164138.8 Ų138.876%0.75975%0.748SS**  trans-68.6171176.5-46.691000113.9
546S31.1Very low33.6Very low110 Ų110140.7 Ų140.777%0.76975%0.75SS**  cis-155153.914.7-166.80000113.3
547D33.7Very low33.8Very low139 Ų139141 Ų14174%0.74375%0.754SS**  trans-87.6155.7174.2-40.8-91.1000113.9
548H36Very low32.9Very low161 Ų161144.1 Ų144.175%0.74576%0.758SS**  -172.2136116.2-109.563.1000117.1
549N30.8Very low33.1Very low147 Ų147144.8 Ų144.879%0.78676%0.761SS**  trans38.8150.6144.8-77.4-8.8000124.6
550A33.3Very low32.7Very low85 Ų85142.8 Ų142.870%0.70276%0.755SS**  trans-105.3153164.200000111.9
551T32.3Very low32.8Very low136 Ų136140.8 Ų140.883%0.83475%0.753SS**  172.6152.9127.828.20000112.2
552R29.9Very low32.9Very low250 Ų250144.2 Ų144.294%0.94376%0.762SS**  trans34.9116.2154.6-78.1-177.1151.7108.6-3.1119.6
553G30Very low33.8Very low82 Ų82141.2 Ų141.285%0.84576%0.756SS**  trans-148.1149.8152.600000108.7
554N31.9Very low33.4Very low137 Ų137143.9 Ų143.973%0.73377%0.768SS**  trans-123.9161.2-176.2-146.150.3000109.3
555D33.1Very low33.4Very low119 Ų119142.3 Ų142.364%0.63677%0.768SS**  trans71.6143.3157.3-52.1-38.3000120.2
556D35.4Very low34.3Very low144 Ų144139.3 Ų139.377%0.7776%0.763SS**  trans61.3149.6148.8-52.8-10.9000121.5
557E35.9Very low34.2Very low163 Ų163141.2 Ų141.276%0.76277%0.765SS**  cis-164.5168.8-25.5-178.6143.797.700108.2
558E34.5Very low34Very low167 Ų167139.8 Ų139.878%0.7877%0.766SS**  trans54.198.9161.5-86-179.3171.500122.4
559D33.7Very low33.7Very low143 Ų143136.2 Ų136.277%0.76576%0.759SS**  73.6160.1104-157.225.2000122.7
560V33.3Very low33.6Very low93 Ų93137.6 Ų137.656%0.56476%0.761SS**  trans86.1119.3157-169.90000120.5
561K31.6Very low33.8Very low192 Ų192139 Ų13984%0.83577%0.766SS**  trans86.898.6150.3-81.5164.4-162156.20122.7
562E31.2Very low34.7Very low179 Ų179138.4 Ų138.484%0.83676%0.764SS**  -55.7173.9119.6-60.8-168.8140.800112.5
563P49.8Very low34.8Very low103 Ų103129.9 Ų129.967%0.66975%0.754SS**  cis-132.7174.83.332.8-11.8000114.8
564M29.4Very low34.9Very low182 Ų182132.1 Ų132.190%0.89775%0.752SS**  171.8135.5109.3-89.8-167.3173.100113.2
565A32.3Very low34.9Very low92 Ų92130.9 Ų130.976%0.7675%0.754SS**  trans-87.5-171.7162.800000109
566P51.3Low34.8Very low101 Ų101134.9 Ų134.966%0.65676%0.76SS**  cis-147.1-175.733.344.7-24.5000117.4
567N28.4Very low34.7Very low150 Ų150132.2 Ų132.280%0.80275%0.749SS**  trans66.5147162.6-58.2-14000114.8
568S28.8Very low34.6Very low109 Ų109131.5 Ų131.576%0.76275%0.745SS**  cis167.3157.91.747.90000103.5
569S30.6Very low34.6Very low86 Ų86131.8 Ų131.860%0.60175%0.746SS**  cis-157.4179.83.343.10000108.8
570E29.2Very low34.6Very low176 Ų176128.9 Ų128.982%0.82274%0.738SS**  trans69.7130.8154.7-74.2150.5103.800121.9
571S38.1Very low34.6Very low115 Ų115131.5 Ų131.580%0.80475%0.748SS**  trans-121.8-175.5159.6-47.30000106.3
572P49.8Very low34.8Very low123 Ų123129.9 Ų129.980%0.79975%0.748SS**  cis-139.3177.1-2.742.4-25.6000115.8
573G32.8Very low34.9Very low72 Ų72129.6 Ų129.674%0.74275%0.751SS**  88.1131.5125.400000119.7
574T31Very low34.4Very low129 Ų129133 Ų13379%0.79176%0.759SS**  trans-144.3132.1175.852.90000112.9
575S31.9Very low34.6Very low111 Ų111133 Ų13378%0.77676%0.756SS**  trans62.3156.614258.10000122.4
576R32.2Very low34.6Very low203 Ų203137.2 Ų137.277%0.76676%0.76SS**  cis179.3139.8-32.4-145.7-16792.3126.64.6109.6
577T33.1Very low33.9Very low87 Ų87140 Ų14053%0.53477%0.77SS.*  trans57.9165.3151.140.60000120.9
578E34.3Very low34.2Very low148 Ų148140.7 Ų140.769%0.69277%0.773SS**  cis-174.3158.5-33.1-111.9173.5159.300109.3
579H34.1Very low34.5Very low173 Ų173143.4 Ų143.480%0.80177%0.774SS**  trans60.9161.8160-85.957.6000117.3
580S32.7Very low34.6Very low83 Ų83149.4 Ų149.458%0.5878%0.783SS**  cis-154.9179.6-14.941.80000106.6
581D34.4Very low34.7Very low147 Ų147146.1 Ų146.179%0.78678%0.78SS**  cis-167.8-172.942.9-109.1-56.6000112.6
582L35.7Very low34.8Very low159 Ų159147.9 Ų147.983%0.83278%0.78SS**  trans-74.7161.5-171.7-60.7160.6000117.7
583L33.7Very low34.2Very low173 Ų173149.6 Ų149.691%0.90678%0.781SS**  trans-163.1159.4135.7-101.9180000111.2
584E38Very low34.2Very low175 Ų175155.1 Ų155.182%0.81879%0.785SS**  trans-129.7-178.8179.5-67.1-175.511700111.5
585E34.3Very low34.4Very low180 Ų180155.1 Ų155.184%0.84178%0.78SS**  trans72.5144.2175.2-57.8173.4173.100115.4
586E32.1Very low34.6Very low181 Ų181155.8 Ų155.885%0.84678%0.781SS**  cis-150.5-179.7-0.1-133.1177.2179.400110.8
587D36.7Very low34.8Very low161 Ų161151.7 Ų151.786%0.86178%0.779SS**  trans-73.5153.7-172.8-73.2-64.2000116.6
588D34.1Very low34.9Very low163 Ų163154.4 Ų154.487%0.87279%0.79SS**  trans-157.7166.3148.2-140.6-23.5000114
589E36Very low34.7Very low167 Ų167150.4 Ų150.478%0.7879%0.789SS**  trans-84.8138.2-155.8-72.9-160.8104.300119.6
590R31.9Very low34.7Very low211 Ų211152.2 Ų152.280%0.79679%0.79SS**  66.6115.2129.1-172-173.9-168.6-168.76122
591S32.4Very low34.7Very low107 Ų107158.8 Ų158.875%0.74880%0.804SS**  -159.9140.6128.1550000113.4
592D39.4Very low34.6Very low153 Ų153159.2 Ų159.282%0.81881%0.806SS**  trans-76.9126.5175.5-62.9-85.7000111.8
593I37Very low34.5Very low159 Ų159158.4 Ų158.482%0.81581%0.807SS**  trans-117.5120166.2-69.9-179.9000109.6
594K34.1Very low34.3Very low188 Ų188161.5 Ų161.582%0.81781%0.807SS**  trans-82.1141.7174.5-74.7179.9174.6176.90111.3P596K594-P596 WeakPolarHBondContact O-CD 3.32Å
595D33.4Very low34Very low129 Ų129156.5 Ų156.569%0.6980%0.802SS**  trans-56.8124161.2178.7-1.5000110.8T597D595-T597 WeakPolarHBondContact OD1-CB 3.45Å; D595-T597 PolarHBondContact OD1-N 3.17Å; D595-T597 PolarHBondContact OD1-OG1 2.78Å
596P37.3Very low33.9Very low124 Ų124155.3 Ų155.381%0.80580%0.797SS**  trans-100.324.9178.439.3-33.2000114K594 N598K594-P596 WeakPolarHBondContact O-CD 3.32Å; P596-N598 PolarHBondContact O-N 3.31Å
597T35.6Very low34Very low117 Ų117154.1 Ų154.172%0.71880%0.796SS**  trans-90.867.5-173.2-43.10000113.8D595D595-T597 WeakPolarHBondContact OD1-CB 3.45Å; D595-T597 PolarHBondContact OD1-N 3.17Å; D595-T597 PolarHBondContact OD1-OG1 2.78Å
598N34.6Very low33.7Very low145 Ų145153.1 Ų153.178%0.77579%0.791SS**  trans-150.9100.3166.9-145.7-21.7000112.9P596P596-N598 PolarHBondContact O-N 3.31Å
599G32Very low33.6Very low64 Ų64156.5 Ų156.566%0.6679%0.791SS**  trans-145.391.6-175.100000112.8
600Y33.6Very low33.4Very low210 Ų210157.7 Ų157.782%0.82480%0.796SS**  trans-65.6131.4173.8-94.6-105.1000111.8
601Y32.8Very low33.3Very low222 Ų222155.4 Ų155.487%0.87180%0.798SS**  trans-112.9121.7163.1-84-83.8000111.1
602N32Very low33.2Very low156 Ų156161.5 Ų161.583%0.83481%0.805SS**  trans-77.4120.2174.3-83.1-54.6000110.6R604N602-R604 PolarHBondContact O-N 3.12Å
603V32.4Very low32.7Very low142 Ų142162 Ų16286%0.86181%0.808SS**  trans-76.2114.8168.7-178.90000109.1
604R30.9Very low32.5Very low238 Ų238160 Ų16090%0.89881%0.807SS**  trans-83.2114.1160.9-77.4-174.8170.8123.4-2.3108.2N602N602-R604 PolarHBondContact O-N 3.12Å
605G31.4Very low32.2Very low70 Ų70154.7 Ų154.772%0.72281%0.806SS**  trans-64.4140.9165.700000110.4
606H31.5Very low32.1Very low155 Ų155158.8 Ų158.872%0.71882%0.819SS**  trans-96.1111.5171.9-167.8-89.6000108.5D608H606-D608 IonicContact CE1-OD1 2.92Å; H606-D608 PolarHBondContact CE1-OD1 2.96Å; H606-D608 IonicContact CE1-OD2 3.16Å; H606-D608 IonicContact ND1-OD1 3.48Å; H606-D608 IonicContact ND1-OD2 3.35Å; H606-D608 PolarHBondContact ND1-OD2 3.36Å; H606-D608 PolarHBondContact O-N 3.34Å
607D35.5Very low31.8Very low155 Ų155158.5 Ų158.583%0.82982%0.819SS**  trans-74.6110171.3-81.2-48.3000109.7
608D30.3Very low31.7Very low141 Ų141161.3 Ų161.375%0.75482%0.824SS**PPolyproline II helixtrans-92.5124.3166.9-83.4-54.7000111.6H606H606-D608 IonicContact CE1-OD1 2.92Å; H606-D608 PolarHBondContact CE1-OD1 2.96Å; H606-D608 IonicContact CE1-OD2 3.16Å; H606-D608 IonicContact ND1-OD1 3.48Å; H606-D608 IonicContact ND1-OD2 3.35Å; H606-D608 PolarHBondContact ND1-OD2 3.36Å; H606-D608 PolarHBondContact O-N 3.34Å
609R32Very low31.4Very low234 Ų234165.3 Ų165.388%0.88383%0.83SS**PPolyproline II helixtrans-84147.4-169.8-77.3176.8162.9177.3-5.4113I611R609-I611 PolarHBondContact O-N 3.23Å
610H30.8Very low31.4Very low192 Ų192167.7 Ų167.789%0.88983%0.832SS**PPolyproline II helixtrans-52.1132.4165.9-62.6-65.9000112.6
611I30.4Very low31.5Very low162 Ų162163.3 Ų163.383%0.83183%0.829SS**  trans-124.6123.8151.9-64.9-178.2000107.7R609R609-I611 PolarHBondContact O-N 3.23Å
612R30.8Very low31.5Very low236 Ų236160.6 Ų160.689%0.89183%0.829SS**  trans-79.5137.5164.3-80.1178.4165.5-173.8-4.2108.6
613N28.5Very low31.5Very low164 Ų164158.4 Ų158.488%0.87783%0.827SS**  trans-153156.8131.6-127-2000112.1
614S32Very low31.5Very low115 Ų115162.7 Ų162.780%0.80483%0.827SS**  trans-100.9139.3-171.852.70000113
615G28.8Very low31.7Very low78 Ų78157.5 Ų157.580%0.80482%0.824SS**  trans-151125.7166.900000110.7
616F31Very low31.6Very low215 Ų215160.3 Ų160.394%0.94383%0.827SS**  trans-87.8134.5177-113.9-103.8000110.2
617S31.6Very low31.6Very low118 Ų118163.8 Ų163.883%0.82584%0.836SS**  trans-160.9140.8151.4-163.80000109.7
618E33.3Very low31.4Very low176 Ų176161.9 Ų161.982%0.82283%0.83SS**  trans-86.9141.3178.1-64.9169.6104.200110.8
619Y27.5Very low31.6Very low228 Ų228161.5 Ų161.589%0.89484%0.835SS**  trans-147.4146157.2-147.3-96.5000112.1
620V32.8Very low31.6Very low115 Ų115156.1 Ų156.170%0.69783%0.833SS**PPolyproline II helixtrans-91.8133.9-167.7179.40000111.1
621P35.8Very low31.7Very low118 Ų118156.1 Ų156.177%0.76683%0.834SS**PPolyproline II helixtrans-76.1124.3168.930.5-32.4000110.8
622N31.4Very low31.9Very low164 Ų164156.6 Ų156.688%0.87784%0.837SS**PPolyproline II helixtrans-68.1151178-102.4-23.1000112.8
623S32.6Very low32.2Very low111 Ų111151.2 Ų151.278%0.77683%0.833SS**PPolyproline II helixtrans-79.1152-173.348.30000114.2
624R32.1Very low32.3Very low232 Ų232148.4 Ų148.488%0.87583%0.826SS**PPolyproline II helixtrans-83.6144.1162.7-68-176.9176.8-169.2-1.4109.6
625P35.3Very low32.9Very low128 Ų128149 Ų14983%0.83183%0.827SS**PPolyproline II helixtrans-72.4145.5178.930.1-34.9000112.1
626V30.4Very low33Very low130 Ų130150.5 Ų150.579%0.78883%0.825SS**  trans-114.7131170.8175.40000108.1
627Y30.4Very low33.9Very low227 Ų227145.9 Ų145.989%0.8982%0.817SS**  trans-70.6136.6175.3-95.8-100.1000111.4
628T31.6Very low33.8Very low116 Ų116149.3 Ų149.371%0.71282%0.822SS**  trans-116.8143165.250.90000110.1
629P34.5Very low33.7Very low132 Ų132152.3 Ų152.386%0.85783%0.828SS**PPolyproline II helixtrans-81120.8177.431.2-32.4000110.8
630S31.9Very low33.8Very low121 Ų121144.9 Ų144.985%0.84682%0.82SS**PPolyproline II helixtrans-96.1162.5175.148.60000112.4
631Q32.7Very low33.7Very low192 Ų192147.5 Ų147.590%0.89783%0.825SS**PPolyproline II helixtrans-94160.6-160.9-66.3163-45.400114.2
632L34.1Very low33.5Very low173 Ų173150.1 Ų150.191%0.90683%0.826SS**PPolyproline II helixtrans-62.9136.4171.2-72.4158.4000111.9
633P37.3Very low33.4Very low123 Ų123145.4 Ų145.480%0.79982%0.817SS**PPolyproline II helixtrans-87.3148.4167.334.6-32.7000112
634S31.6Very low33.4Very low105 Ų105146.3 Ų146.373%0.73482%0.823SS**  trans-112.4158.3165.356.40000110.9
635P43.1Very low33.2Very low127 Ų127144.1 Ų144.183%0.82582%0.823SS**  trans-118.3154.4154.635.4-25.8000112
636S32Very low33.9Very low110 Ų110142.7 Ų142.777%0.76981%0.814SS**  trans-112.6-167.1-171.2-40.70000111.3
637P50.6Low33.9Very low118 Ų118147.2 Ų147.277%0.76682%0.817SS**  -117.8175.1-128.837.4-19.2000115.6
638M28.9Very low33.9Very low190 Ų190143.3 Ų143.394%0.93681%0.81SS**  trans-137.5152.6162.3-91.7-63.8166.200112.7
639Y31.8Very low33.8Very low239 Ų239147.6 Ų147.694%0.93781%0.814SS**  trans-82157.1179.6-106.7-113.2000111.9
640G28.7Very low33.6Very low72 Ų72149.6 Ų149.674%0.74281%0.812SS**  trans-169.4-17.5179.900000123.9
641Q30.8Very low33.5Very low170 Ų170153 Ų15379%0.79481%0.812SS**  trans64.4147.7164.2-136.21764.800120.5
642H31.4Very low33.5Very low172 Ų172147.9 Ų147.980%0.79680%0.798SS**  trans62.1131.7171.7-58.6-78.1000118.9
643G29.9Very low33.5Very low65 Ų65147 Ų14767%0.6779%0.789SS**  cis175.1169-8.600000114.7
644S31.4Very low33.2Very low131 Ų131150.1 Ų150.192%0.91678%0.784SS**  trans78.2143.8174.377.60000120.2
645Q29.4Very low33.2Very low186 Ų186153.8 Ų153.887%0.86978%0.783SS**  trans-134.6179.8176.1-91.9-168.9-14.700106.5
646P48.8Very low32.5Very low98 Ų98151.9 Ų151.964%0.63678%0.778SS**  cis-133.2176.6-46.238.9-23.8000111.9
647R30.2Very low32.4Very low225 Ų225152.3 Ų152.385%0.84978%0.776SS**  trans-179.4139154-98.7153.1-163.7-149.93.7106.7
648I30.5Very low31.3Very low145 Ų145154.5 Ų154.574%0.74478%0.781SS**  cis60.493.728.9-49.2-179.3000112.9
649Y29.7Very low31.4Very low205 Ų205151.7 Ų151.780%0.80478%0.775SS**  -156.7140125.3-113.6-74000111.4F651Y649-F651 HydrophobicContact CD1-CD2 4.45Å
650E31.6Very low31.4Very low175 Ų175146.8 Ų146.882%0.81877%0.77SS**  trans-97.7140.7167.4164.3-174.3-135.800107.9
651F28.5Very low31.6Very low192 Ų192148 Ų14884%0.84277%0.767SS**  trans-162.1155.5158-119.5-75.4000112.7Y649Y649-F651 HydrophobicContact CD1-CD2 4.45Å
652S33.4Very low31.6Very low85 Ų85151.5 Ų151.559%0.59477%0.773SS**  trans-133.9163.2179.259.60000112.1
653H33.3Very low31.6Very low155 Ų155149.1 Ų149.172%0.71878%0.776SS**  trans117.1126.3166.6-68.4-65.7000118.4
654R31.6Very low31.8Very low187 Ų187150.8 Ų150.871%0.70678%0.777SS**  34.3149.2122.5-66.7170.9173.6-169.9-1.3119.6
655Y31.5Very low31.7Very low183 Ų183154.3 Ų154.372%0.71877%0.772SS**  cis-161.7151.714.9-111.6-51.2000110
656A28.8Very low31.8Very low86 Ų86152.6 Ų152.671%0.71176%0.764SS**  trans170.9116.7141.300000108.4
657T29.5Very low30.9Very low119 Ų119156.8 Ų156.873%0.7378%0.775SS**  74.611152.268.20000115.8
658N27.6Very low31Very low164 Ų164154.7 Ų154.788%0.87778%0.775SS**  trans-148.7131.8144.7-122.5-6.3000109.3
659T32Very low32.3Very low131 Ų131153.4 Ų153.480%0.80478%0.776SS**  trans-153-169.8-179.454.40000109
660V31.3Very low33.3Very low137 Ų137149.6 Ų149.683%0.8378%0.776SS**  trans97.5129.2-175.81770000112.5
661S32.1Very low33.4Very low98 Ų98145.4 Ų145.469%0.68577%0.771SS**  cis-164.8131.8-12.247.20000109.4
662R31.4Very low33.7Very low242 Ų242144.3 Ų144.391%0.91377%0.769SS**  58111.684.8-173.4-166.5-177.6-173.72.9116.3
663S31.5Very low33.6Very low122 Ų122147.1 Ų147.185%0.85377%0.773SS**  trans-174-177.9132.555.70000111.1
664S33.1Very low33.4Very low101 Ų101148.3 Ų148.371%0.70678%0.779SS**  trans-156.3146-163.253.50000112.1
665Y30.9Very low33.3Very low205 Ų205148.1 Ų148.180%0.80479%0.786SS**  trans175.3140.9134.2-112.3-94.8000111.9
666E30.1Very low34.3Very low150 Ų150144.1 Ų144.170%0.70178%0.782SS**  trans18.4128142-161179.5150.700122.5
667Q30.1Very low34.4Very low185 Ų185149 Ų14986%0.86479%0.79SS**  174.8157.2123.6-95.2172.515.300115.1
668Q31.9Very low34.5Very low181 Ų181148.5 Ų148.585%0.84679%0.792SS**  trans-110.1-179.2167.4-74.1179-47.900109.2
669P57.9Low35.7Very low118 Ų118146 Ų14677%0.76678%0.784SS**  cis-119.2-127.9-540.4-20000109.8
670P51.4Low35.7Very low126 Ų126144.8 Ų144.882%0.81878%0.777SS**  cis-106.4-171.98.442.7-33.1000114.5
671A32.7Very low35.8Very low86 Ų86146.8 Ų146.871%0.71178%0.777SS**  trans-145.7-179.9-18000000111.7
672Q34.8Very low35.7Very low169 Ų169148.7 Ų148.779%0.7979%0.785SS**  trans77.8149.5170.2-51.3-172.97.100114.7
673Q32.5Very low35.8Very low144 Ų144141.6 Ų141.667%0.67378%0.778SS**  cis-164.1142.93.3-135.3175.856.500111.4
674Q28.9Very low35.8Very low181 Ų181142.6 Ų142.685%0.84678%0.779SS**  160.4152126.5-88.8162.527.600115.8
675Q30.2Very low35.7Very low182 Ų182145.1 Ų145.185%0.8578%0.783SS**  trans-130-176.4176.9-105.4-177.9-5.200106.4
676P52.6Low36Very low99 Ų99146 Ų14664%0.64379%0.787SS**  cis-131.6179.7-12.125.9-2.9000113.6
677Q30Very low36.9Very low188 Ų188144 Ų14488%0.87979%0.786SS**  162162.2119.7-84.6-176.48.700112.9
678S30.9Very low37.1Very low109 Ų109141.4 Ų141.476%0.76278%0.783SS**  trans-122.8-175.2-175.961.40000109.4
679P53.8Low37.3Very low111 Ų111140.3 Ų140.372%0.72178%0.783SS**  cis-121.7-1702.228.6-2.6000111.8
680T31.9Very low36.8Very low107 Ų107140.6 Ų140.666%0.65679%0.785SS**  cis-165.8146.643.4430000114.1
681Q33.6Very low36Very low178 Ų178142.5 Ų142.583%0.83279%0.788SS**  trans61.8148.5151.3-62.6172.832.900118
682T30.6Very low35.9Very low139 Ų139149.8 Ų149.885%0.85380%0.799SS**  cis-129.9166.96.7-11.70000110.8
683A32.6Very low35.7Very low92 Ų92146.6 Ų146.676%0.7680%0.795SS**  trans-121.3155.2-168.100000115.5
684T31.4Very low35.4Very low144 Ų144143.2 Ų143.288%0.88380%0.799SS**  trans-103155.4174-31.50000110.8
685I32Very low35.7Very low154 Ų154140.2 Ų140.279%0.7980%0.798SS**  trans-117.6143.1-166.2-64.5171.2000112.7
686Y36.3Very low35.8Very low224 Ų224135.9 Ų135.988%0.87879%0.793SS**  trans-113.1145.7166.8-81.8-83.4000111.1
687P49.4Very low34.8Very low107 Ų107142.2 Ų142.270%0.69581%0.806SS**  -132.6142.3127.58.614000111.1
688T33.1Very low35Very low130 Ų130140.9 Ų140.980%0.79880%0.804SS**  82.9123.350.765.80000116.6
689D36.3Very low35.6Very low158 Ų158142 Ų14285%0.84581%0.808SS**  trans-64.5163.7162.9-64.1-60000112.6
690P47Very low34.6Very low125 Ų125141.1 Ų141.181%0.81281%0.81SS**  -151.4170.4110.338.9-22.4000117
691L36.5Very low34.5Very low165 Ų165142.5 Ų142.586%0.86482%0.819SS**  trans-83.2151168.2-66.6122.9000113
692Y29Very low34.4Very low240 Ų240145.4 Ų145.494%0.94182%0.824SS**  trans-159.5173.3134.8-134.5-101000114.2
693S30.6Very low34.4Very low101 Ų101142 Ų14271%0.70682%0.817SS**  trans-97.8155.5-167.4-178.20000115.4
694G27.4Very low34.4Very low74 Ų74148.8 Ų148.876%0.76382%0.823SS**  trans-169131.8164.200000112.1
695S35.5Very low34.5Very low117 Ų117146.1 Ų146.182%0.81882%0.815SS**  trans-130138.4-174.7-530000112.7
696A31.1Very low34.4Very low91 Ų91148.1 Ų148.175%0.75282%0.818SS**  trans-154.1109.3170.500000113.8
697Y31.6Very low34.2Very low233 Ų233143.8 Ų143.891%0.91482%0.816SS**  trans42.6129.2146.3-61.4-80.5000123.8
698L33.8Very low33.3Very low159 Ų159144.3 Ų144.383%0.83282%0.822SS**  trans-70.9163.2156.1-60.4165.4000110.8
699P43.7Very low33.1Very low132 Ų132148.7 Ų148.786%0.85783%0.825SS**  -134.8163.787.136.4-24.6000114.2
700A32.3Very low32.9Very low93 Ų93147.6 Ų147.677%0.76982%0.824SS**  trans-108.3157178.100000112.3
701T30.6Very low32.1Very low137 Ų137150.1 Ų150.184%0.8482%0.822SS**  trans-136.2137.2167.149.70000111.9
702Y31.6Very low32.3Very low238 Ų238148.3 Ų148.393%0.93382%0.82SS**  trans-56153164.9-61.4-110.3000110.3
703G30.9Very low32.3Very low68 Ų68141.9 Ų141.970%0.70182%0.817SS**  cis125.7147.23.100000112
704R32.1Very low32.5Very low235 Ų235142.3 Ų142.389%0.88782%0.82SS**  trans176.1139.8151.9-102.4166.6-170.7-165.62.4110.9
705A32.9Very low32.6Very low88 Ų88148.1 Ų148.173%0.72782%0.82SS**  trans-98.7155.3162.300000109.6
706F30.2Very low32.5Very low195 Ų195148 Ų14886%0.85581%0.807SS**  trans-134.5130.6159.6-96.6-78.1000109.9
707T32.8Very low32.5Very low134 Ų134150.7 Ų150.782%0.82280%0.801SS**  trans-105.2140177.3520000110.3
708S31.2Very low32.5Very low117 Ų117145.8 Ų145.882%0.81880%0.795SS**  trans-143.6103.7162.256.40000111.4
709Y28.5Very low32.5Very low223 Ų223144.3 Ų144.388%0.87579%0.788SS**  trans-75.6135.6164.2-120.2-90.8000109
710V30.7Very low32Very low135 Ų135142 Ų14282%0.81878%0.781SS**  trans-137.1132.9159.4-177.90000108.1
711K31.1Very low32Very low178 Ų178147.9 Ų147.977%0.77478%0.784SS**  trans-96.2157.2174.3-101.3-171.2172.3-176.70110.6
712P41.5Very low32Very low127 Ų127147.7 Ų147.783%0.82578%0.778SS**  trans-73.3160.6179.432.4-36.4000112.6
713A29.1Very low31.9Very low105 Ų105144.4 Ų144.487%0.86877%0.771SS**  trans-133.8153.5170.700000110.3
714S33.7Very low31.9Very low110 Ų110146.9 Ų146.977%0.76978%0.778SS**  trans-138.5145.1-162.654.50000113
715Y30.6Very low31.9Very low195 Ų195141.8 Ų141.877%0.76577%0.768SS**  trans-164.9121.1151.2-131.8-118.2000108.6
716E32.9Very low31.9Very low116 Ų116145.2 Ų145.254%0.54277%0.769SS.*  56.613892.6-82.1-162.371.100115.2
717K31.8Very low31.8Very low147 Ų147140.2 Ų140.264%0.63976%0.764SS**  cis-143.2-159.42.5-135.6-167.4-176.377.40109
718V30Very low31.7Very low130 Ų130138.7 Ų138.779%0.78876%0.759SS**  cis-143.6163.718.7-171.30000109.5
719D34.6Very low31.7Very low128 Ų128142.2 Ų142.268%0.68476%0.759SS**  trans-80162.4-179.2-40-101.6000115.9
720A32.3Very low31.9Very low84 Ų84137.5 Ų137.569%0.69475%0.754SS**  162.1127.3116.900000115.7
721Y33.1Very low31.8Very low216 Ų216136.2 Ų136.285%0.84775%0.75SS**  trans50.9145.4139.8-74.3-98.7000121.6
722D30.8Very low31.7Very low133 Ų133133 Ų13371%0.71175%0.751SS**  cis-150.8170.1-10.8-149.7-2.6000113.1
723Q30.2Very low31.2Very low169 Ų169132.1 Ų132.179%0.7975%0.747SS**  trans-80.3138.9-174170.3-177.994.800114.9
724S30.1Very low31.3Very low120 Ų120131.9 Ų131.984%0.83974%0.739SS**  trans166.2168.7138.846.20000113.2
725D32.4Very low31.2Very low128 Ų128136.5 Ų136.568%0.68474%0.74SS**  -157.5164.1-65.5-163.912.7000108.7
726Q31.7Very low31Very low159 Ų159135.2 Ų135.274%0.74374%0.738SS**  trans43.4117.8163.6-71.4167.564.800119.6
727A30Very low30.9Very low91 Ų91134.6 Ų134.675%0.75275%0.747SS**  cis96.1136.946.500000116.4
728S30.4Very low30.8Very low101 Ų101138.5 Ų138.571%0.70676%0.759SS**  trans87.6132.6154.687.50000121.3
729K30.7Very low30.7Very low191 Ų191136 Ų13683%0.8375%0.752SS**  trans68156139.1-73.5171.3-177.7175.50119.7
730V31.6Very low30.5Very low125 Ų125135.3 Ų135.376%0.75876%0.757SS**  cis-164.8148.3-35.1108.20000109
731S29.2Very low30.5Very low107 Ų107136.9 Ų136.975%0.74876%0.763SS**  trans66.2153.5160.9-74.90000123.1
732S29.4Very low30.5Very low112 Ų112136.1 Ų136.178%0.78377%0.767SS**  trans99.699142.172.90000121.2
733S30.7Very low30.4Very low107 Ų107136.6 Ų136.675%0.74878%0.775SS**  68138.1117.7-166.40000122
734S31.3Very low30.3Very low100 Ų100133.4 Ų133.470%0.69977%0.771SS**  trans68152.9150.930.90000118.8
735R31Very low30.4Very low208 Ų208132.5 Ų132.579%0.78577%0.765SS**  cis-169.7166.6-25.4-115.3-173.4-173.8175.61.7106.8
736F27.8Very low30.3Very low167 Ų167136.1 Ų136.173%0.73278%0.778SS**  trans67.3100.1165.3-58.1-61.9000118.8
737S29.7Very low30.4Very low103 Ų103136.8 Ų136.872%0.7278%0.781SS**  26.7131.2115.3-40.40000120.3
738Y29.6Very low30.4Very low230 Ų230138.2 Ų138.290%0.90279%0.785SS**  -165.8165.9109.6-117.2-81.7000112.2
739A29.1Very low30.5Very low76 Ų76139.9 Ų139.963%0.62879%0.786SS**  trans29.8106159.400000119
740S30.1Very low30.7Very low115 Ų115141.9 Ų141.980%0.80479%0.79SS**  68.4106.568.279.20000115.9
741S31Very low30.6Very low117 Ų117139.1 Ų139.182%0.81879%0.787SS**  trans-147.2123153.251.20000110.2
742Q33.3Very low30.9Very low199 Ų199144.6 Ų144.693%0.9379%0.791SS**  trans-92.2134.2163.1-72.4179.5-27.600107.8
743V29.6Very low31.1Very low144 Ų144145.5 Ų145.587%0.87378%0.783SS**  trans-133137.3160.5-178.30000108.6
744S28.9Very low31.2Very low101 Ų101145.6 Ų145.671%0.70678%0.779SS**  trans-73.3162.4-162.8-49.70000115.9
745S30.6Very low31.3Very low102 Ų102150.5 Ų150.571%0.71379%0.791SS**  trans59.3120.6138.562.30000120
746Q31.9Very low31.2Very low203 Ų203151.3 Ų151.395%0.94979%0.794SS**  -151.1162.2103.6-112.8162.579.200111.7
747Q32Very low31.2Very low174 Ų174152.5 Ų152.581%0.81380%0.804SS**  trans-131.1131.9-170.8-175.3175.6-11.900108
748S31.2Very low31.4Very low121 Ų121155.1 Ų155.185%0.84681%0.805SS**  trans-148.3104.3176.348.30000111.4
749D32.3Very low31.7Very low135 Ų135150.8 Ų150.872%0.72280%0.803SS**  trans-71.4145.8170-83.1-73000112.3
750Y33.6Very low31.7Very low233 Ų233155.3 Ų155.391%0.91481%0.811SS**  trans-152.4127148.9-105-78.8000110.3
751G31Very low32Very low67 Ų67159.9 Ų159.969%0.69183%0.833SS**  trans-72.7177162.600000111.3
752R34.3Very low32.1Very low223 Ų223162.1 Ų162.184%0.84283%0.834SS**  cis-168.6172.827-120.5-171.7-172.5-156.513.6108.1
753Q35.2Very low32Very low130 Ų130160.1 Ų160.161%0.60783%0.829SS**  cis-158153.65.4-153.9-173.5-93.800111.1
754T32Very low32.1Very low109 Ų109161 Ų16167%0.66983%0.827SS**  trans23.2128.3152.255.50000122.3
755Q32.6Very low32.3Very low203 Ų203164.5 Ų164.595%0.94983%0.834SS**  -137.5150.2115.8-110.7-1763.300110.1
756R28.8Very low32.4Very low226 Ų226168.4 Ų168.485%0.85384%0.841SS**  trans-139.5109.1-175.8179.9-172.6-173.1-1713.7108.5
757M28.8Very low32.5Very low191 Ų191166.1 Ų166.194%0.94183%0.834SS**PPolyproline II helixtrans-81145.2163.3-79.6-174.9166.700109.7
758Q34.1Very low32.5Very low159 Ų159165.6 Ų165.674%0.74384%0.836SS**PPolyproline II helixtrans-94.6133172.9-68165.4-104.400108.8
759T36Very low32.6Very low138 Ų138169 Ų16985%0.84784%0.835SS**PPolyproline II helixtrans-98.1139.3151.4440000108.1
760H29.3Very low32.6Very low172 Ų172171.8 Ų171.880%0.79684%0.844SS**PPolyproline II helixtrans-82.6144170.9-86.6-102.9000110.3
761V36Very low32.5Very low211 Ų211166.3 Ų166.3100%1.27984%0.838SS**  trans-136.90157-177.40000105.7

Retrieved 761 of 761 residues in 810.3 ms (Link to these results)