A0A077YYX4_TRITR Loading...

Abnormal cell migration protein 18-like fibronectin type I domain-containing protein

AlphaFold DB , UniProt , Accession A0A077YYX4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 351 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
1M43.7Very low44.7Very low245 Ų245156.2 Ų156.2100%1.20782%0.815SS**  0150.30-78168.576.400108.4
2Q45Very low44.1Very low190 Ų190151.3 Ų151.389%0.88880%0.799SS**  trans-45.3144.7-157-81.2154.6-59.800118.9
3F41.6Very low43.9Very low203 Ų203149.3 Ų149.389%0.8980%0.797SS**  trans-46129.7156.1-76.9-99.4000112.9
4I49Very low43.4Very low140 Ų140149.9 Ų149.972%0.71880%0.798SS**  trans-132.396.5146.4-59179.4000106.7F6I4-F6 HydrophobicContact CG2-CD2 3.55Å; I4-F6 HydrophobicContact CG2-CE2 3.75Å; I4-F6 PolarHBondContact O-N 3.13Å
5A49.2Very low43.1Very low84 Ų84149.3 Ų149.369%0.69479%0.789SS**  trans-74.4102.1165.500000107.7I7A5-I7 PolarHBondContact O-N 2.77Å
6F51.1Low42.6Very low186 Ų186145 Ų14582%0.81678%0.782SS**  trans-79.4103.4168.6-107.4-87.6000108.5I4 L8I4-F6 HydrophobicContact CG2-CD2 3.55Å; I4-F6 HydrophobicContact CG2-CE2 3.75Å; I4-F6 PolarHBondContact O-N 3.13Å; F6-L8 PolarHBondContact O-N 3.01Å; F6-L8 VanDerWaalsContact O-N 3.16Å
7I52.4Low42.2Very low142 Ų142148.5 Ų148.573%0.72878%0.781SS**  trans-61111.3170.7-67.6171.6000107.8A5 C9A5-I7 PolarHBondContact O-N 2.77Å; I7-C9 VanDerWaalsContact C-N 3.29Å; I7-C9 PolarHBondContact O-N 3.3Å
8L42.9Very low41.7Very low158 Ų158148.8 Ų148.883%0.82778%0.783SS**  trans-65.285.3166.6-84.9152.3000109.1F6 V10F6-L8 PolarHBondContact O-N 3.01Å; F6-L8 VanDerWaalsContact O-N 3.16Å; L8-V10 HydrophobicContact CB-CG2 4.41Å; L8-V10 HydrophobicContact CD2-CG2 4.5Å; L8-V10 PolarHBondContact O-N 3.39Å
9C41.1Very low41.2Very low104 Ų104148.5 Ų148.570%0.70378%0.781SS**  trans-72.981.8160.3-81.10000108.6I7 L11I7-C9 VanDerWaalsContact C-N 3.29Å; I7-C9 PolarHBondContact O-N 3.3Å; C9-L11 PolarHBondContact O-N 2.89Å
10V38.9Very low40.7Very low120 Ų120151.2 Ų151.273%0.72778%0.781SS**  trans-72.177.3160.9-173.20000106.7L8L8-V10 HydrophobicContact CB-CG2 4.41Å; L8-V10 HydrophobicContact CD2-CG2 4.5Å; L8-V10 PolarHBondContact O-N 3.39Å
11L37.4Very low40Very low146 Ų146151.5 Ų151.576%0.76478%0.779SS**  trans-75.8118.4160.8-81.7167.6000106.2C9 V13C9-L11 PolarHBondContact O-N 2.89Å; L11-V13 PolarHBondContact O-N 3.36Å; L11-V13 VanDerWaalsContact O-N 3.12Å
12P37.7Very low39.3Very low97 Ų97145.4 Ų145.463%0.6375%0.748SS**  trans-59125176.526.1-30.9000106.2L14P12-L14 PolarHBondContact O-N 3.07Å
13V40.5Very low38.4Very low126 Ų126141 Ų14176%0.76474%0.738SS**  trans-59.788.1160.3-179.80000104.2L11 E15L11-V13 PolarHBondContact O-N 3.36Å; L11-V13 VanDerWaalsContact O-N 3.12Å; V13-E15 HydrophobicContact CG1-CG 3.89Å; V13-E15 PolarHBondContact O-N 3.35Å
14L37.1Very low38Very low157 Ų157141 Ų14182%0.82273%0.733SS**  trans-61.384157.3-143.694.4000101.8P12 A16P12-L14 PolarHBondContact O-N 3.07Å; L14-A16 PolarHBondContact O-N 3.05Å
15E39Very low36.8Very low141 Ų141142.6 Ų142.666%0.65974%0.735SS**  trans-51.8102166.7-75.4-176.1164.700103.5V13 R17V13-E15 HydrophobicContact CG1-CG 3.89Å; V13-E15 PolarHBondContact O-N 3.35Å; E15-R17 PolarHBondContact O-N 3.35Å
16A35.6Very low35.8Very low81 Ų81144.3 Ų144.367%0.66974%0.737SS**  trans-58.182.1157.900000104.2L14 L18L14-A16 PolarHBondContact O-N 3.05Å; A16-L18 PolarHBondContact O-N 2.94Å
17R35.4Very low34.8Very low204 Ų204141.3 Ų141.377%0.7773%0.728SS**  trans-58.678.1145-66.5-168.8179.7-162.40.6103.5E15 L19E15-R17 PolarHBondContact O-N 3.35Å; R17-L19 PolarHBondContact O-N 2.86Å
18L33Very low33.9Very low155 Ų155140.6 Ų140.681%0.81274%0.736SS**  trans-46.992.6145.5-83.9158.9000103A16 Y20A16-L18 PolarHBondContact O-N 2.94Å; L18-Y20 PolarHBondContact O-N 2.63Å
19L33.1Very low33.5Very low143 Ų143134.4 Ų134.475%0.74971%0.71SS**  trans-48.795.4157.5-77.7159.2000103.1R17 Q21R17-L19 PolarHBondContact O-N 2.86Å; L19-Q21 PolarHBondContact O-N 2.98Å
20Y30.2Very low33.8Very low202 Ų202133.8 Ų133.879%0.79270%0.695SS**  trans-67.472.2165.2-167.8-93.4000104.8L18 E22L18-Y20 PolarHBondContact O-N 2.63Å; Y20-E22 VanDerWaalsContact C-N 3.32Å; Y20-E22 HydrophobicContact CD1-CG 4.01Å; Y20-E22 HydrophobicContact CE1-CG 3.62Å; Y20-E22 PolarHBondContact O-N 2.87Å; Y20-E22 VanDerWaalsContact O-N 3.17Å
21Q26.3Very low34Very low157 Ų157130.9 Ų130.973%0.73467%0.672SS**  trans-83.791.4177.2-167.3175.2-8.300103.6L19 S23L19-Q21 PolarHBondContact O-N 2.98Å; Q21-S23 PolarHBondContact O-N 3.25Å
22E29.7Very low34.9Very low118 Ų118126 Ų12655%0.55165%0.65SS**  trans-55.789.9159.3-74.9-175.7159.900107.1Y20 Y24Y20-E22 VanDerWaalsContact C-N 3.32Å; Y20-E22 HydrophobicContact CD1-CG 4.01Å; Y20-E22 HydrophobicContact CE1-CG 3.62Å; Y20-E22 PolarHBondContact O-N 2.87Å; Y20-E22 VanDerWaalsContact O-N 3.17Å; E22-Y24 VanDerWaalsContact C-N 3.32Å; E22-Y24 PolarHBondContact O-N 3.24Å
23S25.9Very low35.6Very low96 Ų96126.9 Ų126.967%0.67164%0.641SS**  trans-71.196.8170.455.10000106.2Q21 K25Q21-S23 PolarHBondContact O-N 3.25Å; S23-K25 PolarHBondContact O-N 2.99Å
24Y32.5Very low36.3Very low203 Ų203121.8 Ų121.880%0.79661%0.608SS**  trans-64.782.6153.159-80.9000105.4E22 V26E22-Y24 VanDerWaalsContact C-N 3.32Å; E22-Y24 PolarHBondContact O-N 3.24Å; Y24-V26 HydrophobicContact CD2-CG2 3.67Å; Y24-V26 HydrophobicContact CE2-CG2 4.16Å; Y24-V26 PolarHBondContact O-N 3.17Å
25K23.6Very low37.4Very low174 Ų174119.7 Ų119.776%0.75759%0.591SS**  trans-65.695.3166.2-156.1174.5-172.9177.60103.8S23 I27S23-K25 PolarHBondContact O-N 2.99Å; K25-I27 HydrophobicContact CB-CG1 4.39Å; K25-I27 HydrophobicContact CD-CG1 4.45Å; K25-I27 HydrophobicContact CG-CG1 4.2Å; K25-I27 PolarHBondContact O-N 2.84Å
26V29.5Very low38.6Very low121 Ų121114.8 Ų114.873%0.73357%0.572SS**  trans-63.176.5162.9-174.20000105Y24 S28Y24-V26 HydrophobicContact CD2-CG2 3.67Å; Y24-V26 HydrophobicContact CE2-CG2 4.16Å; Y24-V26 PolarHBondContact O-N 3.17Å; V26-S28 PolarHBondContact O-N 3.45Å
27I28.6Very low40.1Very low123 Ų123112.7 Ų112.763%0.63155%0.551SS**  trans-56.5129.7161.3-60.9173000103K25 G29K25-I27 HydrophobicContact CB-CG1 4.39Å; K25-I27 HydrophobicContact CD-CG1 4.45Å; K25-I27 HydrophobicContact CG-CG1 4.2Å; K25-I27 PolarHBondContact O-N 2.84Å; I27-G29 PolarHBondContact O-N 2.88Å
28S33Very low41.5Very low127 Ų127109.1 Ų109.189%0.88854%0.543SS*.SBendtrans-66.931.8177.782.20000112.8V26V26-S28 PolarHBondContact O-N 3.45Å
29G35.3Very low43Very low28 Ų28104 Ų10429%0.28952%0.516SS..SBendtrans-99.6113.3157.400000107.9I27 Y31I27-G29 PolarHBondContact O-N 2.88Å; G29-Y31 PolarHBondContact O-N 2.75Å
30K48Very low44.5Very low90 Ų90105.1 Ų105.139%0.39151%0.51SS..  trans-63.863.8-175.3-74.5165154.1-176.30113.8Y156K30-Y156 HydrophobicContact CB-CE1 4.3Å; K30-Y156 WeakPolarHBondContact CD-OH 3.21Å; K30-Y156 VanDerWaalsContact CE-OH 3.25Å; K30-Y156 WeakPolarHBondContact CE-OH 3.36Å; K30-Y156 WeakPolarHBondContact CG-OH 3.34Å
31Y43.6Very low46.1Very low59 Ų5999 Ų9923%0.23149%0.489CS..  trans-126.3138169-70.2-79.7000111.5G29 Y33 I199 G200G29-Y31 PolarHBondContact O-N 2.75Å; Y31-Y33 VanDerWaalsContact CB-OH 3.24Å; Y31-Y33 WeakPolarHBondContact CB-OH 3.31Å; Y31-Y33 HydrophobicContact CD1-CE1 4.03Å; Y31-Y33 AromaticContact CD1-CZ 3.83Å; Y31-Y33 WeakPolarHBondContact CD1-OH 3.44Å; Y31-Y33 WeakPolarHBondContact CD2-OH 3.36Å; Y31-Y33 HydrophobicContact CG-CE1 4.29Å; Y31-Y33 HydrophobicContact CG-CE2 4.17Å; Y31-Y33 AromaticContact CG-CZ 3.62Å; Y31-I199 PolarHBondContact OH-O 3.27Å; Y31-G200 WeakPolarHBondContact OH-CA 3.47Å; Y31-G200 PolarHBondContact OH-O 3.3Å
32S54.4Low48Very low44 Ų4495.1 Ų95.131%0.30848%0.476SS..  trans-128.5136.6163.6-54.50000106.5P116 F117S32-P116 WeakPolarHBondContact OG-CG 3.43Å; S32-F117 WeakPolarHBondContact O-CZ 3.2Å
33Y54.1Low48.9Very low115 Ų11593.2 Ų93.245%0.45147%0.472SS..  trans-129.3154.9-174.6-51.1-87.9000109.4Y31 I166Y31-Y33 VanDerWaalsContact CB-OH 3.24Å; Y31-Y33 WeakPolarHBondContact CB-OH 3.31Å; Y31-Y33 HydrophobicContact CD1-CE1 4.03Å; Y31-Y33 AromaticContact CD1-CZ 3.83Å; Y31-Y33 WeakPolarHBondContact CD1-OH 3.44Å; Y31-Y33 WeakPolarHBondContact CD2-OH 3.36Å; Y31-Y33 HydrophobicContact CG-CE1 4.29Å; Y31-Y33 HydrophobicContact CG-CE2 4.17Å; Y31-Y33 AromaticContact CG-CZ 3.62Å; Y33-I166 HydrophobicContact CD1-CG2 3.66Å; Y33-I166 HydrophobicContact CE1-CG2 4.28Å
34Y55.3Low50.2Low19 Ų1990.9 Ų90.98%0.07545%0.454CS..  trans-149.8155171.7176.3-103.6000111.8Y119 F130 A132 R164Y34-Y119 HydrophobicContact CD1-CD1 4.13Å; Y34-Y119 AromaticContact CD1-CE1 3.45Å; Y34-Y119 HydrophobicContact CD1-CE1 3.45Å; Y34-Y119 VanDerWaalsContact CD1-CE1 3.45Å; Y34-Y119 HydrophobicContact CD2-CD1 4.42Å; Y34-Y119 AromaticContact CD2-CE1 3.34Å; Y34-Y119 HydrophobicContact CD2-CE1 3.34Å; Y34-Y119 AromaticContact CD2-CZ 3.82Å; Y34-Y119 WeakPolarHBondContact CD2-OH 3.39Å; Y34-Y119 AromaticContact CE1-CD1 3.68Å; Y34-Y119 HydrophobicContact CE1-CD1 3.68Å; Y34-Y119 AromaticContact CE1-CE1 3.38Å; Y34-Y119 HydrophobicContact CE1-CE1 3.38Å; Y34-Y119 HydrophobicContact CE2-CD1 4.08Å; Y34-Y119 AromaticContact CE2-CE1 3.36Å; Y34-Y119 HydrophobicContact CE2-CE1 3.36Å; Y34-Y119 HydrophobicContact CG-CD1 4.43Å; Y34-Y119 AromaticContact CG-CE1 3.37Å; Y34-Y119 HydrophobicContact CG-CE1 3.37Å; Y34-Y119 AromaticContact CG-CZ 3.96Å; Y34-Y119 AromaticContact CZ-CD1 3.68Å; Y34-Y119 AromaticContact CZ-CE1 3.37Å; Y34-F130 AromaticContact CZ-CE1 3.9Å; Y34-F130 WeakPolarHBondContact OH-CD1 3.48Å; Y34-F130 WeakPolarHBondContact OH-CE1 3.25Å; Y34-A132 HydrophobicContact CD1-CB 3.45Å; Y34-A132 VanDerWaalsContact CD1-CB 3.45Å; Y34-A132 HydrophobicContact CE1-CB 4.04Å; Y34-A132 HydrophobicContact CG-CB 4.22Å; Y34-R164 WeakPolarHBondContact O-CA 3.17Å; Y34-R164 WeakPolarHBondContact O-CB 3.02Å; Y34-R164 WeakPolarHBondContact O-CG 3.48Å
35Y58.9Low51Low114 Ų11489.3 Ų89.345%0.44745%0.448SS..BIsolated β-bridgetrans-112138.7-177.265.7-88000112.3T37 E79Y35-T37 HydrophobicContact CD2-CG2 3.87Å; Y35-T37 HydrophobicContact CE2-CG2 3.74Å; Y35-E79 VanDerWaalsContact CE2-OE1 3.28Å; Y35-E79 WeakPolarHBondContact CE2-OE1 3.48Å; Y35-E79 PolarHBondContact OH-OE1 3.18Å
36S64.8Low52.3Low38 Ų3883.4 Ų83.427%0.26642%0.422SS..  trans-88.3154.6169.962.40000113.1F130 D163S36-F130 WeakPolarHBondContact CA-O 3.45Å; S36-D163 PolarHBondContact N-O 2.87Å; S36-D163 PolarHBondContact OG-O 2.05Å; S36-D163 VanDerWaalsContact OG-O 3.12Å
37T66.3Low53.1Low37 Ų3785.8 Ų85.823%0.22742%0.418CS..EExtended strand (participates in β ladder)trans-127.8144.9167.661.30000110.9Y35 E79 T129 F130Y35-T37 HydrophobicContact CD2-CG2 3.87Å; Y35-T37 HydrophobicContact CE2-CG2 3.74Å; T37-E79 VanDerWaalsContact CB-OE2 3.31Å; T37-E79 WeakPolarHBondContact CB-OE2 3.37Å; T37-E79 WeakPolarHBondContact CG2-OE2 3.48Å; T37-E79 PolarHBondContact OG1-OE2 2.76Å; T37-T129 WeakPolarHBondContact O-CG2 3.48Å; T37-F130 PolarHBondContact N-O 2.8Å; T37-F130 PolarHBondContact O-N 2.05Å
38E66Low54.1Low128 Ų12882 Ų8260%0.59840%0.401SS*.EExtended strand (participates in β ladder)trans-126.6145.9178.363170.9-153.300111.3
39I64.5Low55Low49 Ų4979.9 Ų79.925%0.25138%0.382SS..EExtended strand (participates in β ladder)trans-140.8149.1170.2-157.6167.7000112.4F80 Y82 P96 L128I39-F80 HydrophobicContact CB-CD2 4.3Å; I39-F80 HydrophobicContact CB-CE2 4.07Å; I39-F80 HydrophobicContact CB-CZ 4.31Å; I39-F80 HydrophobicContact CG2-CD1 3.87Å; I39-F80 HydrophobicContact CG2-CD2 3.88Å; I39-F80 HydrophobicContact CG2-CE1 3.89Å; I39-F80 HydrophobicContact CG2-CE2 3.92Å; I39-F80 HydrophobicContact CG2-CG 3.87Å; I39-F80 HydrophobicContact CG2-CZ 3.92Å; I39-Y82 HydrophobicContact CD1-CE1 3.94Å; I39-Y82 WeakPolarHBondContact CD1-OH 3.32Å; I39-P96 HydrophobicContact CG2-CB 4.09Å; I39-P96 HydrophobicContact CG2-CG 4.35Å; I39-L128 PolarHBondContact N-O 2.83Å; I39-L128 PolarHBondContact O-N 3.47Å
40R63.6Low55.9Low165 Ų16586.1 Ų86.162%0.62340%0.398SS*.EExtended strand (participates in β ladder)trans-102.4153.2175.8-42.3-146.7163.7166.9-4.7111.1T42 L127R40-T42 PolarHBondContact O-N 2.93Å; R40-L127 HydrophobicContact CB-CD2 3.71Å; R40-L127 HydrophobicContact CG-CD2 3.32Å
41E63.8Low56.2Low75 Ų7588.5 Ų88.535%0.3541%0.411SS..  trans-51.7130.9159.1-68.4172.7-179.300110.4
42T65.7Low57.4Low74 Ų7489.2 Ų89.245%0.45444%0.436SS..EExtended strand (participates in β ladder)trans-108.2134.8172.549.20000110.2R40 I94R40-T42 PolarHBondContact O-N 2.93Å; T42-I94 PolarHBondContact O-N 3.46Å
43V49.6Very low57.8Low79 Ų7993 Ų9348%0.47946%0.462SS..EExtended strand (participates in β ladder)trans-104.9108.5174.8-178.20000107.4
44T53.5Low58.1Low47 Ų4795.5 Ų95.529%0.28848%0.476SS..EExtended strand (participates in β ladder)trans-100.6134.5179-45.30000109.7
45Y48.2Very low58.2Low169 Ų169101.1 Ų101.166%0.66350%0.497SS*.PPolyproline II helixtrans-90.6144.1169.6-67.6-91.7000109.9M91Y45-M91 HydrophobicContact CD1-CG 4.08Å; Y45-M91 HydrophobicContact CE1-CE 3.57Å; Y45-M91 HydrophobicContact CE1-CG 3.82Å; Y45-M91 HydrophobicContact CE1-SD 4.43Å
46K52.2Low58.2Low51 Ų5199.6 Ų99.622%0.22249%0.494CS..PPolyproline II helixtrans-90162.3-143.4-103.1-162.6-174.493.30118.4V58 Y90 M91K46-V58 HydrophobicContact CD-CB 4.22Å; K46-V58 HydrophobicContact CD-CG1 4.27Å; K46-V58 HydrophobicContact CD-CG2 3.46Å; K46-V58 VanDerWaalsContact CD-CG2 3.46Å; K46-Y90 PolarHBondContact NZ-O 2.86Å; K46-M91 VanDerWaalsContact NZ-C 3.29Å
47W44.7Very low58.2Low170 Ų170104.1 Ų104.164%0.64451%0.511SS*.PPolyproline II helixtrans-72.6128.4143-71.279000111.1E62W47-E62 PolarHBondContact NE1-OE1 2.94Å; W47-E62 PolarHBondContact NE1-OE2 2.82Å
48V51.4Low58Low45 Ų45103.1 Ų103.127%0.27350%0.504SS..  trans-104.9117.9164.4179.10000106.3Y50 R55V48-Y50 HydrophobicContact CB-CD2 4.46Å; V48-Y50 HydrophobicContact CB-CE2 3.88Å; V48-Y50 HydrophobicContact CG1-CD2 3.98Å; V48-Y50 HydrophobicContact CG1-CE1 4.38Å; V48-Y50 HydrophobicContact CG1-CE2 3.52Å; V48-R55 HydrophobicContact CG1-CG 3.68Å
49T51.6Low58.6Low82 Ų82101.2 Ų101.250%0.50350%0.502SS..  trans-82.7129.4166.519.30000109.2Q56T49-Q56 PolarHBondContact O-N 3.33Å; T49-Q56 VanDerWaalsContact O-N 3.13Å
50Y53.6Low59.7Low158 Ų15899.5 Ų99.562%0.6250%0.496SS*.EExtended strand (participates in β ladder)trans-104.5121.8173.2-70.3-93.2000107.9V48V48-Y50 HydrophobicContact CB-CD2 4.46Å; V48-Y50 HydrophobicContact CB-CE2 3.88Å; V48-Y50 HydrophobicContact CG1-CD2 3.98Å; V48-Y50 HydrophobicContact CG1-CE1 4.38Å; V48-Y50 HydrophobicContact CG1-CE2 3.52Å
51E53.3Low60.8Low141 Ų14191.9 Ų91.966%0.65947%0.468SS*.EExtended strand (participates in β ladder)trans-105100165.4-160.2178.4-152.300106.6S53 K54 Q56E51-S53 PolarHBondContact O-N 2.88Å; E51-K54 PolarHBondContact N-O 3.47Å; E51-K54 PolarHBondContact O-N 2.7Å; E51-Q56 HydrophobicContact CB-CG 4.34Å; E51-Q56 PolarHBondContact OE2-NE2 3.36Å
52G69.4Low61.8Low73 Ų7390.7 Ų90.775%0.75346%0.462SS*.THydrogen-bonded Turntrans65.7-127.4-16600000112.1
53S63.3Low62.5Low124 Ų12489 Ų8987%0.86745%0.45SS*.THydrogen-bonded Turntrans-99.33.9179.143.80000114.2E51E51-S53 PolarHBondContact O-N 2.88Å
54K60.3Low64Low168 Ų16890 Ų9073%0.7345%0.453SS*.EExtended strand (participates in β ladder)trans-95.2121.2176.8-70.9-175.8179.9179.10110.3E51 Q56E51-K54 PolarHBondContact N-O 3.47Å; E51-K54 PolarHBondContact O-N 2.7Å; K54-Q56 PolarHBondContact O-N 2.92Å
55R56.9Low65.1Low136 Ų13693.6 Ų93.651%0.51348%0.477SS..EExtended strand (participates in β ladder)trans-62.2112.9167.1-179.9174.8-171.8-170.41.2108V48V48-R55 HydrophobicContact CG1-CG 3.68Å
56Q59.4Low66.6Low82 Ų8289 Ų8938%0.38348%0.481SS..  trans-76.4150.4174.3-79.1-166.7-14.400111.3T49 E51 K54T49-Q56 PolarHBondContact O-N 3.33Å; T49-Q56 VanDerWaalsContact O-N 3.13Å; E51-Q56 HydrophobicContact CB-CG 4.34Å; E51-Q56 PolarHBondContact OE2-NE2 3.36Å; K54-Q56 PolarHBondContact O-N 2.92Å
57E64.7Low68Low134 Ų13493.2 Ų93.263%0.62650%0.496SS*.  trans-59.5144.9179.6-158.3-175.7160.400110.5T59 R86E57-T59 PolarHBondContact O-N 3.32Å; E57-R86 IonicContact OE1-CZ 3.13Å; E57-R86 IonicContact OE1-NH1 2.83Å; E57-R86 PolarHBondContact OE1-NH1 2.04Å; E57-R86 IonicContact OE1-NH2 2.88Å; E57-R86 PolarHBondContact OE1-NH2 3.13Å
58V61.8Low69.9Low15 Ų1587.5 Ų87.59%0.09149%0.49CS..  trans-54.2114.5172.31520000110.4K46 F71 R86 E89K46-V58 HydrophobicContact CD-CB 4.22Å; K46-V58 HydrophobicContact CD-CG1 4.27Å; K46-V58 HydrophobicContact CD-CG2 3.46Å; K46-V58 VanDerWaalsContact CD-CG2 3.46Å; V58-F71 HydrophobicContact CG1-CE1 4.44Å; V58-F71 HydrophobicContact CG1-CE2 3.43Å; V58-F71 VanDerWaalsContact CG1-CE2 3.43Å; V58-F71 HydrophobicContact CG1-CZ 3.2Å; V58-F71 WeakPolarHBondContact O-CE2 3.4Å; V58-R86 PolarHBondContact O-NH2 2.96Å; V58-E89 WeakPolarHBondContact CG2-O 3.37Å
59T80.3Confident71.7Confident88 Ų8886 Ų8654%0.5448%0.481SS..  trans-105.9-14.8-178.348.70000114.9E57 L70 F71E57-T59 PolarHBondContact O-N 3.32Å; T59-L70 WeakPolarHBondContact O-CA 3.36Å; T59-F71 WeakPolarHBondContact O-CD2 3.42Å; T59-F71 PolarHBondContact O-N 2.92Å
60G86.7Confident73.6Confident14 Ų1486.7 Ų86.714%0.14448%0.481CS..EExtended strand (participates in β ladder)trans-177.5-159.7-172.700000117.8I69 S92G60-I69 CarbonylContact C-O 3.49Å; G60-I69 WeakPolarHBondContact CA-O 3.21Å; G60-S92 VanDerWaalsContact O-CB 3.25Å; G60-S92 WeakPolarHBondContact O-CB 3.45Å; G60-S92 PolarHBondContact O-OG 2.86Å; G60-S92 VanDerWaalsContact O-OG 3.1Å
61C86.7Confident75.3Confident4 Ų481.7 Ų81.73%0.02746%0.462CS..EExtended strand (participates in β ladder)trans-119.8137.2-178.2-59.60000109.6G68 I69 C84 R93 I94C61-G68 CarbonylContact O-C 3.5Å; C61-G68 WeakPolarHBondContact O-CA 3.27Å; C61-I69 HydrophobicContact CB-CG1 4.24Å; C61-I69 PolarHBondContact N-O 3.45Å; C61-I69 PolarHBondContact O-N 3.38Å; C61-C84 VanDerWaalsContact CA-SG 3.56Å; C61-C84 HydrophobicContact CB-CB 3.68Å; C61-C84 WeakPolarHBondContact CB-SG 3.41Å; C61-C84 PolarHBondContact N-SG 3.01Å; C61-C84 WeakPolarHBondContact SG-CA 3.28Å; C61-C84 WeakPolarHBondContact SG-CB 3.35Å; C61-C84 CovalentContact SG-SG 2.02Å; C61-C84 PolarHBondContact SG-SG 3.07Å; C61-R93 PolarHBondContact SG-O 3.48Å; C61-I94 HydrophobicContact CB-CD1 4.3Å; C61-I94 HydrophobicContact CB-CG1 3.9Å
62E83.8Confident77.2Confident50 Ų5077.2 Ų77.223%0.23445%0.454CS..EExtended strand (participates in β ladder)trans-86127167.2-177.4-175.1-157.200109.2W47 N64 P65 G66W47-E62 PolarHBondContact NE1-OE1 2.94Å; W47-E62 PolarHBondContact NE1-OE2 2.82Å; E62-N64 WeakPolarHBondContact CG-O 3.38Å; E62-P65 VanDerWaalsContact OE1-CA 3.23Å; E62-P65 WeakPolarHBondContact OE1-CA 3.45Å; E62-G66 PolarHBondContact OE1-N 2.88Å
63I82.1Confident78.4Confident38 Ų3877.9 Ų77.920%0.19544%0.438CS..EExtended strand (participates in β ladder)trans-96.8-42.5178.3-55.1171.5000109.9Y67 I69 F75I63-Y67 HydrophobicContact CB-CD1 4.21Å; I63-Y67 HydrophobicContact CD1-CD1 4.24Å; I63-Y67 HydrophobicContact CD1-CE1 3.93Å; I63-Y67 PolarHBondContact N-O 2.92Å; I63-I69 HydrophobicContact CD1-CB 4.19Å; I63-I69 HydrophobicContact CD1-CD1 3.92Å; I63-I69 HydrophobicContact CD1-CG1 3.75Å; I63-I69 HydrophobicContact CD1-CG2 3.42Å; I63-I69 VanDerWaalsContact CD1-CG2 3.42Å; I63-I69 HydrophobicContact CG1-CD1 4.43Å; I63-I69 HydrophobicContact CG1-CG1 4.06Å; I63-I69 HydrophobicContact CG1-CG2 4.4Å; I63-F75 HydrophobicContact CB-CE2 4.47Å; I63-F75 HydrophobicContact CB-CZ 4.44Å; I63-F75 HydrophobicContact CD1-CB 4.14Å; I63-F75 HydrophobicContact CD1-CD1 3.53Å; I63-F75 HydrophobicContact CD1-CD2 3.68Å; I63-F75 HydrophobicContact CD1-CE1 3.67Å; I63-F75 HydrophobicContact CD1-CE2 3.86Å; I63-F75 HydrophobicContact CD1-CG 3.5Å; I63-F75 VanDerWaalsContact CD1-CG 3.5Å; I63-F75 HydrophobicContact CD1-CZ 3.84Å; I63-F75 HydrophobicContact CG1-CD1 4.23Å; I63-F75 HydrophobicContact CG1-CD2 4.44Å; I63-F75 HydrophobicContact CG1-CE1 3.84Å; I63-F75 HydrophobicContact CG1-CE2 4.11Å; I63-F75 HydrophobicContact CG1-CG 4.48Å; I63-F75 HydrophobicContact CG1-CZ 3.78Å; I63-F75 HydrophobicContact CG2-CD2 4.11Å; I63-F75 HydrophobicContact CG2-CE2 3.52Å; I63-F75 HydrophobicContact CG2-CZ 3.86Å
64N80Confident79.8Confident101 Ų10176.8 Ų76.854%0.5442%0.421SS..EExtended strand (participates in β ladder)trans-137.5159.3175.7-72.6-40.5000109.2E62 G66 Y67E62-N64 WeakPolarHBondContact CG-O 3.38Å; N64-G66 PolarHBondContact O-N 2.84Å; N64-Y67 PolarHBondContact N-O 2.89Å; N64-Y67 PolarHBondContact O-N 2.94Å; N64-Y67 VanDerWaalsContact O-O 3.1Å
65P76.6Confident81.4Confident122 Ų12270.2 Ų70.279%0.79239%0.393SS*.THydrogen-bonded Turntrans-45.5111.9172.8-30.236.9000112.5E62 Y67E62-P65 VanDerWaalsContact OE1-CA 3.23Å; E62-P65 WeakPolarHBondContact OE1-CA 3.45Å; P65-Y67 VanDerWaalsContact C-N 3.35Å; P65-Y67 PolarHBondContact O-N 3.43Å
66G79.3Confident83.1Confident72 Ų7269.1 Ų69.174%0.74239%0.392SS*.THydrogen-bonded Turntrans80.62.2179.100000116.4E62 N64E62-G66 PolarHBondContact OE1-N 2.88Å; N64-G66 PolarHBondContact O-N 2.84Å
67Y82.8Confident84.6Confident140 Ų14067.3 Ų67.355%0.54939%0.391SS..EExtended strand (participates in β ladder)trans-120.6111.4174.7-175.4-104.5000110.7I63 N64 P65 I69I63-Y67 HydrophobicContact CB-CD1 4.21Å; I63-Y67 HydrophobicContact CD1-CD1 4.24Å; I63-Y67 HydrophobicContact CD1-CE1 3.93Å; I63-Y67 PolarHBondContact N-O 2.92Å; N64-Y67 PolarHBondContact N-O 2.89Å; N64-Y67 PolarHBondContact O-N 2.94Å; N64-Y67 VanDerWaalsContact O-O 3.1Å; P65-Y67 VanDerWaalsContact C-N 3.35Å; P65-Y67 PolarHBondContact O-N 3.43Å; Y67-I69 HydrophobicContact CE1-CG2 4.34Å
68G84.3Confident85.7Confident50 Ų5064.7 Ų64.752%0.51540%0.399SS..EExtended strand (participates in β ladder)trans-121.9159178.100000112.8C61C61-G68 CarbonylContact O-C 3.5Å; C61-G68 WeakPolarHBondContact O-CA 3.27Å
69I88.6Confident86.9Confident13 Ų1366 Ų667%0.06740%0.404CS..EExtended strand (participates in β ladder)trans-123.9153.3175.159.1158.8000110.1G60 C61 I63 Y67 E73 F75 C84G60-I69 CarbonylContact C-O 3.49Å; G60-I69 WeakPolarHBondContact CA-O 3.21Å; C61-I69 HydrophobicContact CB-CG1 4.24Å; C61-I69 PolarHBondContact N-O 3.45Å; C61-I69 PolarHBondContact O-N 3.38Å; I63-I69 HydrophobicContact CD1-CB 4.19Å; I63-I69 HydrophobicContact CD1-CD1 3.92Å; I63-I69 HydrophobicContact CD1-CG1 3.75Å; I63-I69 HydrophobicContact CD1-CG2 3.42Å; I63-I69 VanDerWaalsContact CD1-CG2 3.42Å; I63-I69 HydrophobicContact CG1-CD1 4.43Å; I63-I69 HydrophobicContact CG1-CG1 4.06Å; I63-I69 HydrophobicContact CG1-CG2 4.4Å; Y67-I69 HydrophobicContact CE1-CG2 4.34Å; I69-E73 WeakPolarHBondContact CA-OE2 3.34Å; I69-E73 HydrophobicContact CB-CB 4.12Å; I69-E73 VanDerWaalsContact CB-OE2 3.3Å; I69-E73 WeakPolarHBondContact CB-OE2 3.37Å; I69-E73 HydrophobicContact CD1-CB 4.2Å; I69-F75 HydrophobicContact CD1-CD1 3.36Å; I69-F75 HydrophobicContact CD1-CE1 3.77Å; I69-F75 HydrophobicContact CD1-CG 4.36Å; I69-F75 HydrophobicContact CG1-CD1 4.48Å; I69-C84 HydrophobicContact CD1-CB 3.56Å; I69-C84 HydrophobicContact CG1-CB 3.9Å
70L91Very high87.6Confident97 Ų9762.3 Ų62.351%0.50838%0.381SS..EExtended strand (participates in β ladder)trans-75.4161179.3-59.5175.4000111.8T59 G72 E73 C84T59-L70 WeakPolarHBondContact O-CA 3.36Å; L70-G72 PolarHBondContact O-N 2.85Å; L70-E73 HydrophobicContact CB-CG 3.94Å; L70-E73 PolarHBondContact N-OE2 2.98Å; L70-E73 VanDerWaalsContact O-CB 3.3Å; L70-E73 WeakPolarHBondContact O-CB 3.47Å; L70-E73 PolarHBondContact O-N 3.13Å; L70-E73 VanDerWaalsContact O-N 3.1Å; L70-C84 WeakPolarHBondContact O-CB 3.42Å
71F90.9Very high88Confident53 Ų5361.8 Ų61.823%0.23238%0.375CS..THydrogen-bonded Turntrans-58.4137.9170.6-69.9-49.2000112.6V58 T59 E73 C84 D85 R86V58-F71 HydrophobicContact CG1-CE1 4.44Å; V58-F71 HydrophobicContact CG1-CE2 3.43Å; V58-F71 VanDerWaalsContact CG1-CE2 3.43Å; V58-F71 HydrophobicContact CG1-CZ 3.2Å; V58-F71 WeakPolarHBondContact O-CE2 3.4Å; T59-F71 WeakPolarHBondContact O-CD2 3.42Å; T59-F71 PolarHBondContact O-N 2.92Å; F71-E73 PolarHBondContact O-N 2.79Å; F71-C84 WeakPolarHBondContact CA-O 3.36Å; F71-C84 WeakPolarHBondContact CD1-SG 3.41Å; F71-D85 WeakPolarHBondContact CE1-O 3.02Å; F71-R86 HydrophobicContact CD1-CB 4.32Å; F71-R86 HydrophobicContact CE1-CB 3.94Å; F71-R86 HydrophobicContact CE2-CB 4.12Å; F71-R86 HydrophobicContact CE2-CG 4.22Å; F71-R86 HydrophobicContact CZ-CB 3.78Å; F71-R86 HydrophobicContact CZ-CG 3.96Å
72G92.4Very high88.3Confident48 Ų4862.6 Ų62.650%0.49538%0.378SS..THydrogen-bonded Turntrans81.7-14.9-175.400000113.9L70 C84L70-G72 PolarHBondContact O-N 2.85Å; G72-C84 PolarHBondContact N-O 2.95Å
73E94.3Very high88.8Confident87 Ų8764.7 Ų64.741%0.40738%0.383SS..  trans-68.8147.3174.3-68.6-172.5154.800111.3I69 L70 F71 R83 C84I69-E73 WeakPolarHBondContact CA-OE2 3.34Å; I69-E73 HydrophobicContact CB-CB 4.12Å; I69-E73 VanDerWaalsContact CB-OE2 3.3Å; I69-E73 WeakPolarHBondContact CB-OE2 3.37Å; I69-E73 HydrophobicContact CD1-CB 4.2Å; L70-E73 HydrophobicContact CB-CG 3.94Å; L70-E73 PolarHBondContact N-OE2 2.98Å; L70-E73 VanDerWaalsContact O-CB 3.3Å; L70-E73 WeakPolarHBondContact O-CB 3.47Å; L70-E73 PolarHBondContact O-N 3.13Å; L70-E73 VanDerWaalsContact O-N 3.1Å; F71-E73 PolarHBondContact O-N 2.79Å; E73-R83 WeakPolarHBondContact O-CA 3.44Å; E73-C84 PolarHBondContact O-N 2.67Å
74I94Very high89.3Confident100 Ų10062.9 Ų62.951%0.51337%0.374SS..EExtended strand (participates in β ladder)trans-115.9138.2-176.3-63.6171.7000108.5V81 Y82 R83 I97I74-V81 HydrophobicContact CG2-CG1 3.29Å; I74-Y82 CarbonylContact C-O 3.55Å; I74-Y82 WeakPolarHBondContact CA-O 3.43Å; I74-Y82 WeakPolarHBondContact CG2-O 3.24Å; I74-R83 HydrophobicContact CG1-CB 4.29Å; I74-R83 HydrophobicContact CG1-CG 4.13Å; I74-I97 HydrophobicContact CD1-CD1 3.74Å; I74-I97 HydrophobicContact CG1-CD1 3.92Å; I74-I97 HydrophobicContact CG2-CD1 4.17Å
75F93.3Very high89.8Confident30 Ų3060 Ų6013%0.13236%0.359CS..EExtended strand (participates in β ladder)trans-138.7161.7173.273.4-79.8000111.2I63 I69 A77 Y82 I94I63-F75 HydrophobicContact CB-CE2 4.47Å; I63-F75 HydrophobicContact CB-CZ 4.44Å; I63-F75 HydrophobicContact CD1-CB 4.14Å; I63-F75 HydrophobicContact CD1-CD1 3.53Å; I63-F75 HydrophobicContact CD1-CD2 3.68Å; I63-F75 HydrophobicContact CD1-CE1 3.67Å; I63-F75 HydrophobicContact CD1-CE2 3.86Å; I63-F75 HydrophobicContact CD1-CG 3.5Å; I63-F75 VanDerWaalsContact CD1-CG 3.5Å; I63-F75 HydrophobicContact CD1-CZ 3.84Å; I63-F75 HydrophobicContact CG1-CD1 4.23Å; I63-F75 HydrophobicContact CG1-CD2 4.44Å; I63-F75 HydrophobicContact CG1-CE1 3.84Å; I63-F75 HydrophobicContact CG1-CE2 4.11Å; I63-F75 HydrophobicContact CG1-CG 4.48Å; I63-F75 HydrophobicContact CG1-CZ 3.78Å; I63-F75 HydrophobicContact CG2-CD2 4.11Å; I63-F75 HydrophobicContact CG2-CE2 3.52Å; I63-F75 HydrophobicContact CG2-CZ 3.86Å; I69-F75 HydrophobicContact CD1-CD1 3.36Å; I69-F75 HydrophobicContact CD1-CE1 3.77Å; I69-F75 HydrophobicContact CD1-CG 4.36Å; I69-F75 HydrophobicContact CG1-CD1 4.48Å; F75-A77 HydrophobicContact CD2-CB 4.37Å; F75-A77 HydrophobicContact CE2-CB 4.07Å; F75-Y82 HydrophobicContact CD2-CD2 4.27Å; F75-Y82 VanDerWaalsContact CE1-CB 3.43Å; F75-Y82 HydrophobicContact CE1-CG 4.18Å; F75-Y82 AromaticContact CE2-CD2 3.81Å; F75-Y82 HydrophobicContact CE2-CD2 3.81Å; F75-Y82 HydrophobicContact CE2-CG 4.2Å; F75-Y82 AromaticContact CZ-CD2 3.97Å; F75-Y82 HydrophobicContact CZ-CD2 3.97Å; F75-Y82 AromaticContact CZ-CG 3.86Å; F75-Y82 HydrophobicContact CZ-CG 3.86Å; F75-Y82 PolarHBondContact N-O 3.06Å; F75-Y82 PolarHBondContact O-N 3.25Å; F75-I94 HydrophobicContact CE1-CG2 4.01Å; F75-I94 HydrophobicContact CZ-CD1 4.38Å; F75-I94 HydrophobicContact CZ-CG2 3.87Å
76K92.9Very high90.4Very high114 Ų11460.2 Ų60.250%0.49634%0.344SS..EExtended strand (participates in β ladder)trans-109.5134.4178.1-62.6178.4-177.5178.60109.6V81 V100 E105K76-V81 HydrophobicContact CG-CG2 4.45Å; K76-V100 HydrophobicContact CD-CG2 4.28Å; K76-V100 HydrophobicContact CG-CG2 4.41Å; K76-E105 WeakPolarHBondContact CE-OE1 3.32Å; K76-E105 IonicContact NZ-OE1 2.98Å; K76-E105 PolarHBondContact NZ-OE1 2.77Å
77A89.7Confident90.7Very high44 Ų4457.6 Ų57.636%0.36432%0.317SS..EExtended strand (participates in β ladder)trans-143.6119.2169.500000110F75 E79 F80 Y82F75-A77 HydrophobicContact CD2-CB 4.37Å; F75-A77 HydrophobicContact CE2-CB 4.07Å; A77-E79 PolarHBondContact O-N 2.03Å; A77-F80 PolarHBondContact N-O 2.94Å; A77-F80 VanDerWaalsContact N-O 3.12Å; A77-F80 PolarHBondContact O-N 2.76Å; A77-Y82 HydrophobicContact CB-CD2 4.25Å; A77-Y82 HydrophobicContact CB-CE2 3.71Å; A77-Y82 WeakPolarHBondContact O-CE2 3.41Å
78G87.7Confident90.6Very high78 Ų7853.7 Ų53.780%0.80431%0.308SS*.THydrogen-bonded Turntrans61.9-126.9-173.300000111.9F80G78-F80 VanDerWaalsContact C-N 3.35Å
79E88.3Confident90.4Very high42 Ų4257.6 Ų57.620%0.19631%0.312CS..THydrogen-bonded Turntrans-93.713.2-176.1-61-178.4159.900113.4Y35 T37 A77 C99 V100Y35-E79 VanDerWaalsContact CE2-OE1 3.28Å; Y35-E79 WeakPolarHBondContact CE2-OE1 3.48Å; Y35-E79 PolarHBondContact OH-OE1 3.18Å; T37-E79 VanDerWaalsContact CB-OE2 3.31Å; T37-E79 WeakPolarHBondContact CB-OE2 3.37Å; T37-E79 WeakPolarHBondContact CG2-OE2 3.48Å; T37-E79 PolarHBondContact OG1-OE2 2.76Å; A77-E79 PolarHBondContact O-N 2.03Å; E79-C99 CarbonylContact O-C 3.5Å; E79-C99 VanDerWaalsContact O-CA 3.28Å; E79-C99 WeakPolarHBondContact O-CA 3.28Å; E79-V100 PolarHBondContact O-N 3.08Å
80F93.9Very high89.8Confident11 Ų1162.6 Ų62.65%0.04833%0.331CS..EExtended strand (participates in β ladder)trans-131.7151.5-173.2-62.3-82.8000112.8I39 A77 G78 Y82 G98 L128 F130I39-F80 HydrophobicContact CB-CD2 4.3Å; I39-F80 HydrophobicContact CB-CE2 4.07Å; I39-F80 HydrophobicContact CB-CZ 4.31Å; I39-F80 HydrophobicContact CG2-CD1 3.87Å; I39-F80 HydrophobicContact CG2-CD2 3.88Å; I39-F80 HydrophobicContact CG2-CE1 3.89Å; I39-F80 HydrophobicContact CG2-CE2 3.92Å; I39-F80 HydrophobicContact CG2-CG 3.87Å; I39-F80 HydrophobicContact CG2-CZ 3.92Å; A77-F80 PolarHBondContact N-O 2.94Å; A77-F80 VanDerWaalsContact N-O 3.12Å; A77-F80 PolarHBondContact O-N 2.76Å; G78-F80 VanDerWaalsContact C-N 3.35Å; F80-Y82 HydrophobicContact CB-CD2 4.49Å; F80-Y82 HydrophobicContact CB-CE1 4.25Å; F80-Y82 HydrophobicContact CB-CE2 3.65Å; F80-Y82 WeakPolarHBondContact CB-OH 3.37Å; F80-Y82 WeakPolarHBondContact O-CE2 3.49Å; F80-G98 WeakPolarHBondContact CA-O 3.37Å; F80-L128 HydrophobicContact CD1-CD2 4.31Å; F80-L128 HydrophobicContact CE1-CB 4.39Å; F80-L128 HydrophobicContact CE1-CG 4.45Å; F80-L128 WeakPolarHBondContact CE1-O 3.21Å; F80-F130 HydrophobicContact CE1-CB 4.34Å; F80-F130 HydrophobicContact CZ-CB 4.28Å
81V95.1Very high89.3Confident4 Ų460.5 Ų60.52%0.02432%0.319CS..EExtended strand (participates in β ladder)trans-105.5130.2172-173.60000107.7I74 K76 I97 G98 V100 E105I74-V81 HydrophobicContact CG2-CG1 3.29Å; K76-V81 HydrophobicContact CG-CG2 4.45Å; V81-I97 HydrophobicContact CB-CG1 4.25Å; V81-I97 HydrophobicContact CG1-CD1 4Å; V81-I97 HydrophobicContact CG1-CG1 3.91Å; V81-I97 WeakPolarHBondContact O-CG1 3.41Å; V81-I97 PolarHBondContact O-N 3Å; V81-G98 PolarHBondContact N-O 3.28Å; V81-G98 PolarHBondContact O-N 3Å; V81-V100 HydrophobicContact CG2-CG2 3.45Å; V81-V100 VanDerWaalsContact CG2-CG2 3.45Å; V81-E105 HydrophobicContact CG2-CG 4.06Å
82Y93.6Very high89.1Confident20 Ų2058.1 Ų58.18%0.07831%0.31CS..EExtended strand (participates in β ladder)trans-120.5151-176.5-56.9-90.5000111.1I39 I74 F75 A77 F80 I94 V95 P96I39-Y82 HydrophobicContact CD1-CE1 3.94Å; I39-Y82 WeakPolarHBondContact CD1-OH 3.32Å; I74-Y82 CarbonylContact C-O 3.55Å; I74-Y82 WeakPolarHBondContact CA-O 3.43Å; I74-Y82 WeakPolarHBondContact CG2-O 3.24Å; F75-Y82 HydrophobicContact CD2-CD2 4.27Å; F75-Y82 VanDerWaalsContact CE1-CB 3.43Å; F75-Y82 HydrophobicContact CE1-CG 4.18Å; F75-Y82 AromaticContact CE2-CD2 3.81Å; F75-Y82 HydrophobicContact CE2-CD2 3.81Å; F75-Y82 HydrophobicContact CE2-CG 4.2Å; F75-Y82 AromaticContact CZ-CD2 3.97Å; F75-Y82 HydrophobicContact CZ-CD2 3.97Å; F75-Y82 AromaticContact CZ-CG 3.86Å; F75-Y82 HydrophobicContact CZ-CG 3.86Å; F75-Y82 PolarHBondContact N-O 3.06Å; F75-Y82 PolarHBondContact O-N 3.25Å; A77-Y82 HydrophobicContact CB-CD2 4.25Å; A77-Y82 HydrophobicContact CB-CE2 3.71Å; A77-Y82 WeakPolarHBondContact O-CE2 3.41Å; F80-Y82 HydrophobicContact CB-CD2 4.49Å; F80-Y82 HydrophobicContact CB-CE1 4.25Å; F80-Y82 HydrophobicContact CB-CE2 3.65Å; F80-Y82 WeakPolarHBondContact CB-OH 3.37Å; F80-Y82 WeakPolarHBondContact O-CE2 3.49Å; Y82-I94 HydrophobicContact CD1-CG2 3.63Å; Y82-I94 HydrophobicContact CG-CG2 3.96Å; Y82-V95 CarbonylContact C-O 3.55Å; Y82-V95 VanDerWaalsContact CA-O 3.31Å; Y82-V95 WeakPolarHBondContact CA-O 3.44Å; Y82-P96 HydrophobicContact CD1-CB 4.2Å; Y82-P96 HydrophobicContact CE1-CB 4.19Å
83R94.3Very high88.8Confident94 Ų9461 Ų6136%0.35531%0.306SS..EExtended strand (participates in β ladder)trans-122.5139.6169.6-168.9175.565.1-155.4-5.7110.3E73 I74 D85 V95 I97E73-R83 WeakPolarHBondContact O-CA 3.44Å; I74-R83 HydrophobicContact CG1-CB 4.29Å; I74-R83 HydrophobicContact CG1-CG 4.13Å; R83-D85 WeakPolarHBondContact CG-OD1 3.29Å; R83-D85 IonicContact CZ-OD1 3.36Å; R83-D85 IonicContact CZ-OD2 3.54Å; R83-D85 IonicContact NE-OD1 2.8Å; R83-D85 PolarHBondContact NE-OD1 3.47Å; R83-D85 IonicContact NE-OD2 2.74Å; R83-D85 PolarHBondContact NE-OD2 3Å; R83-D85 IonicContact NH2-OD1 2.69Å; R83-D85 IonicContact NH2-OD2 3.44Å; R83-D85 PolarHBondContact NH2-OD2 3.36Å; R83-D85 PolarHBondContact O-N 3.03Å; R83-V95 PolarHBondContact N-O 3.48Å; R83-V95 PolarHBondContact O-N 3.01Å; R83-I97 HydrophobicContact CB-CD1 4.01Å; R83-I97 HydrophobicContact CB-CG1 4.27Å; R83-I97 HydrophobicContact CB-CG2 3.78Å
84C92Very high88.6Confident0 Ų057.6 Ų57.60%029%0.29CS..EExtended strand (participates in β ladder)trans-81.9113.8170.2179.10000110.8C61 I69 L70 F71 G72 E73C61-C84 VanDerWaalsContact CA-SG 3.56Å; C61-C84 HydrophobicContact CB-CB 3.68Å; C61-C84 WeakPolarHBondContact CB-SG 3.41Å; C61-C84 PolarHBondContact N-SG 3.01Å; C61-C84 WeakPolarHBondContact SG-CA 3.28Å; C61-C84 WeakPolarHBondContact SG-CB 3.35Å; C61-C84 CovalentContact SG-SG 2.02Å; C61-C84 PolarHBondContact SG-SG 3.07Å; I69-C84 HydrophobicContact CD1-CB 3.56Å; I69-C84 HydrophobicContact CG1-CB 3.9Å; L70-C84 WeakPolarHBondContact O-CB 3.42Å; F71-C84 WeakPolarHBondContact CA-O 3.36Å; F71-C84 WeakPolarHBondContact CD1-SG 3.41Å; G72-C84 PolarHBondContact N-O 2.95Å; E73-C84 PolarHBondContact O-N 2.67Å
85D91.9Very high88.4Confident41 Ų4154 Ų5422%0.21927%0.273CS..EExtended strand (participates in β ladder)trans-113.1150.9179.1-73.4-7.6000111.5F71 R83 G87 R93 V95F71-D85 WeakPolarHBondContact CE1-O 3.02Å; R83-D85 WeakPolarHBondContact CG-OD1 3.29Å; R83-D85 IonicContact CZ-OD1 3.36Å; R83-D85 IonicContact CZ-OD2 3.54Å; R83-D85 IonicContact NE-OD1 2.8Å; R83-D85 PolarHBondContact NE-OD1 3.47Å; R83-D85 IonicContact NE-OD2 2.74Å; R83-D85 PolarHBondContact NE-OD2 3Å; R83-D85 IonicContact NH2-OD1 2.69Å; R83-D85 IonicContact NH2-OD2 3.44Å; R83-D85 PolarHBondContact NH2-OD2 3.36Å; R83-D85 PolarHBondContact O-N 3.03Å; D85-G87 PolarHBondContact O-N 2.83Å; D85-R93 PolarHBondContact N-O 3.36Å; D85-R93 PolarHBondContact O-N 2.8Å; D85-V95 HydrophobicContact CB-CG2 4.02Å
86R89Confident88.4Confident127 Ų12753.2 Ų53.248%0.47927%0.271SS..EExtended strand (participates in β ladder)trans-75.4118.5171-172177.3-76.1-155.8-7.5108.5E57 V58 F71 T88E57-R86 IonicContact OE1-CZ 3.13Å; E57-R86 IonicContact OE1-NH1 2.83Å; E57-R86 PolarHBondContact OE1-NH1 2.04Å; E57-R86 IonicContact OE1-NH2 2.88Å; E57-R86 PolarHBondContact OE1-NH2 3.13Å; V58-R86 PolarHBondContact O-NH2 2.96Å; F71-R86 HydrophobicContact CD1-CB 4.32Å; F71-R86 HydrophobicContact CE1-CB 3.94Å; F71-R86 HydrophobicContact CE2-CB 4.12Å; F71-R86 HydrophobicContact CE2-CG 4.22Å; F71-R86 HydrophobicContact CZ-CB 3.78Å; F71-R86 HydrophobicContact CZ-CG 3.96Å; R86-T88 WeakPolarHBondContact CG-O 3.04Å
87G84.7Confident88.5Confident17 Ų1749.8 Ų49.818%0.17526%0.257CS..  trans-86.4-52.2-179.300000113.1D85 M91D85-G87 PolarHBondContact O-N 2.83Å; G87-M91 PolarHBondContact N-O 2.76Å
88T81.9Confident88.8Confident58 Ų5847.9 Ų47.936%0.35624%0.242SC..SBendtrans-143.2-176.9171.566.60000107.5R86 Y90 M91R86-T88 WeakPolarHBondContact CG-O 3.04Å; T88-Y90 PolarHBondContact O-N 2.83Å; T88-Y90 PolarHBondContact OG1-N 2.89Å; T88-M91 HydrophobicContact CG2-SD 3.93Å; T88-M91 PolarHBondContact N-O 3.43Å; T88-M91 PolarHBondContact O-N 3.42Å; T88-M91 WeakPolarHBondContact OG1-CA 3Å; T88-M91 PolarHBondContact OG1-N 3.01Å; T88-M91 PolarHBondContact OG1-SD 3.3Å
89E78.5Confident89.2Confident131 Ų13144.1 Ų44.161%0.61220%0.203SC*.SBendtrans-56-31.8174.1-165.6-174.6141.600112.5V58V58-E89 WeakPolarHBondContact CG2-O 3.37Å
90Y77Confident89.5Confident119 Ų11943.3 Ų43.347%0.46720%0.201SC..SBendtrans-108.4-19.1-179.7-47.1-59.2000112.5K46 T88K46-Y90 PolarHBondContact NZ-O 2.86Å; T88-Y90 PolarHBondContact O-N 2.83Å; T88-Y90 PolarHBondContact OG1-N 2.89Å
91M80.4Confident89.5Confident52 Ų5243.9 Ų43.926%0.25620%0.203SC..  trans-78.8126.1177.24370.617400115.8Y45 K46 G87 T88Y45-M91 HydrophobicContact CD1-CG 4.08Å; Y45-M91 HydrophobicContact CE1-CE 3.57Å; Y45-M91 HydrophobicContact CE1-CG 3.82Å; Y45-M91 HydrophobicContact CE1-SD 4.43Å; K46-M91 VanDerWaalsContact NZ-C 3.29Å; G87-M91 PolarHBondContact N-O 2.76Å; T88-M91 HydrophobicContact CG2-SD 3.93Å; T88-M91 PolarHBondContact N-O 3.43Å; T88-M91 PolarHBondContact O-N 3.42Å; T88-M91 WeakPolarHBondContact OG1-CA 3Å; T88-M91 PolarHBondContact OG1-N 3.01Å; T88-M91 PolarHBondContact OG1-SD 3.3Å
92S85.9Confident89.3Confident4 Ų451.5 Ų51.53%0.02823%0.232CC..EExtended strand (participates in β ladder)trans-108.1154.9153.546.40000109.9G60G60-S92 VanDerWaalsContact O-CB 3.25Å; G60-S92 WeakPolarHBondContact O-CB 3.45Å; G60-S92 PolarHBondContact O-OG 2.86Å; G60-S92 VanDerWaalsContact O-OG 3.1Å
93R87.2Confident89.3Confident109 Ų10953.4 Ų53.441%0.41126%0.258SS..EExtended strand (participates in β ladder)trans-131.1133.1-178.9-69.7-179.5-174.4169.56.1109.3C61 D85 V95C61-R93 PolarHBondContact SG-O 3.48Å; D85-R93 PolarHBondContact N-O 3.36Å; D85-R93 PolarHBondContact O-N 2.8Å; R93-V95 HydrophobicContact CB-CG2 4.09Å
94I89.1Confident89.3Confident15 Ų1552.3 Ų52.38%0.07726%0.262CS..EExtended strand (participates in β ladder)trans-95.1112.1167.8-63.4177000106.5T42 C61 F75 Y82T42-I94 PolarHBondContact O-N 3.46Å; C61-I94 HydrophobicContact CB-CD1 4.3Å; C61-I94 HydrophobicContact CB-CG1 3.9Å; F75-I94 HydrophobicContact CE1-CG2 4.01Å; F75-I94 HydrophobicContact CZ-CD1 4.38Å; F75-I94 HydrophobicContact CZ-CG2 3.87Å; Y82-I94 HydrophobicContact CD1-CG2 3.63Å; Y82-I94 HydrophobicContact CG-CG2 3.96Å
95V91Very high89.5Confident24 Ų2457.4 Ų57.415%0.14529%0.286CS..EExtended strand (participates in β ladder)trans-106.9123.3-174.5-176.50000108.9Y82 R83 D85 R93 I97Y82-V95 CarbonylContact C-O 3.55Å; Y82-V95 VanDerWaalsContact CA-O 3.31Å; Y82-V95 WeakPolarHBondContact CA-O 3.44Å; R83-V95 PolarHBondContact N-O 3.48Å; R83-V95 PolarHBondContact O-N 3.01Å; D85-V95 HydrophobicContact CB-CG2 4.02Å; R93-V95 HydrophobicContact CB-CG2 4.09Å; V95-I97 HydrophobicContact CG1-CG2 4.29Å; V95-I97 PolarHBondContact O-N 3.39Å
96P92.6Very high89.7Confident14 Ų1456 Ų569%0.09128%0.278CS..EExtended strand (participates in β ladder)trans-68.9121.2170.529.5-32.3000109.2I39 Y82 L128I39-P96 HydrophobicContact CG2-CB 4.09Å; I39-P96 HydrophobicContact CG2-CG 4.35Å; Y82-P96 HydrophobicContact CD1-CB 4.2Å; Y82-P96 HydrophobicContact CE1-CB 4.19Å; P96-L128 HydrophobicContact CB-CB 4Å; P96-L128 HydrophobicContact CB-CD2 4.03Å; P96-L128 HydrophobicContact CG-CB 4.11Å
97I95.2Very high90.1Very high41 Ų4157.1 Ų57.121%0.2129%0.286CS..EExtended strand (participates in β ladder)trans-114.6-5.6-17659.3156.2000113.6I74 V81 R83 V95 P108I74-I97 HydrophobicContact CD1-CD1 3.74Å; I74-I97 HydrophobicContact CG1-CD1 3.92Å; I74-I97 HydrophobicContact CG2-CD1 4.17Å; V81-I97 HydrophobicContact CB-CG1 4.25Å; V81-I97 HydrophobicContact CG1-CD1 4Å; V81-I97 HydrophobicContact CG1-CG1 3.91Å; V81-I97 WeakPolarHBondContact O-CG1 3.41Å; V81-I97 PolarHBondContact O-N 3Å; R83-I97 HydrophobicContact CB-CD1 4.01Å; R83-I97 HydrophobicContact CB-CG1 4.27Å; R83-I97 HydrophobicContact CB-CG2 3.78Å; V95-I97 HydrophobicContact CG1-CG2 4.29Å; V95-I97 PolarHBondContact O-N 3.39Å; I97-P108 WeakPolarHBondContact O-CD 3.09Å
98G95.9Very high90.7Very high4 Ų459.3 Ų59.34%0.04130%0.297CS..EExtended strand (participates in β ladder)trans-173.317418000000112.2F80 V81 L106 L128F80-G98 WeakPolarHBondContact CA-O 3.37Å; V81-G98 PolarHBondContact N-O 3.28Å; V81-G98 PolarHBondContact O-N 3Å; G98-L106 CarbonylContact C-O 3.57Å; G98-L106 WeakPolarHBondContact CA-O 3.46Å; G98-L128 WeakPolarHBondContact O-CD2 3.49Å
99C96.3Very high91.3Very high0 Ų058.7 Ų58.70%030%0.302CS..EExtended strand (participates in β ladder)trans-115.6156.6176.1-54.70000109.6E79 E105 L106 C121 F130E79-C99 CarbonylContact O-C 3.5Å; E79-C99 VanDerWaalsContact O-CA 3.28Å; E79-C99 WeakPolarHBondContact O-CA 3.28Å; C99-E105 CarbonylContact O-C 3.57Å; C99-E105 WeakPolarHBondContact O-CA 3Å; C99-L106 HydrophobicContact CB-CB 4.39Å; C99-L106 PolarHBondContact N-O 3.08Å; C99-L106 PolarHBondContact O-N 3.3Å; C99-C121 HydrophobicContact CB-CB 3.65Å; C99-C121 WeakPolarHBondContact CB-SG 3.29Å; C99-C121 PolarHBondContact N-SG 3.2Å; C99-C121 WeakPolarHBondContact SG-CA 3.31Å; C99-C121 WeakPolarHBondContact SG-CB 3.15Å; C99-C121 CovalentContact SG-SG 2.05Å; C99-C121 PolarHBondContact SG-SG 2.92Å; C99-F130 HydrophobicContact CB-CB 4.29Å; C99-F130 HydrophobicContact CB-CD2 3.84Å; C99-F130 HydrophobicContact CB-CG 4.26Å
100V94.7Very high92.2Very high24 Ų2455.5 Ų55.515%0.14529%0.29CS..EExtended strand (participates in β ladder)trans-120.4119.7175.2-175.30000108.4K76 E79 V81 T104 E105K76-V100 HydrophobicContact CD-CG2 4.28Å; K76-V100 HydrophobicContact CG-CG2 4.41Å; E79-V100 PolarHBondContact O-N 3.08Å; V81-V100 HydrophobicContact CG2-CG2 3.45Å; V81-V100 VanDerWaalsContact CG2-CG2 3.45Å; V100-T104 WeakPolarHBondContact CA-O 3.3Å; V100-E105 HydrophobicContact CG2-CG 4.44Å
101F93.8Very high93.1Very high23 Ų2355.7 Ų55.710%0.10129%0.289CS..EExtended strand (participates in β ladder)trans-126.4118.4176-176.1-115.2000111.2G103 T104 L106 L112 H114 Y119 F130F101-G103 PolarHBondContact O-N 2.69Å; F101-G103 VanDerWaalsContact O-N 3.12Å; F101-T104 PolarHBondContact N-O 3.43Å; F101-T104 WeakPolarHBondContact O-CB 3.29Å; F101-T104 PolarHBondContact O-N 2.96Å; F101-L106 HydrophobicContact CB-CD1 4.17Å; F101-L112 HydrophobicContact CD1-CD2 3.81Å; F101-H114 HydrophobicContact CE1-CB 3.68Å; F101-H114 AromaticContact CE1-CD2 3.95Å; F101-H114 AromaticContact CE1-CG 3.78Å; F101-H114 HydrophobicContact CZ-CB 4.19Å; F101-H114 AromaticContact CZ-CD2 3.75Å; F101-Y119 AromaticContact CE1-CD2 3.85Å; F101-Y119 HydrophobicContact CE1-CD2 3.85Å; F101-Y119 HydrophobicContact CE1-CE2 4.17Å; F101-Y119 HydrophobicContact CE1-CG 4.23Å; F101-Y119 HydrophobicContact CE2-CD1 4.4Å; F101-Y119 HydrophobicContact CE2-CE1 4.42Å; F101-Y119 HydrophobicContact CE2-CG 4.48Å; F101-Y119 HydrophobicContact CZ-CD1 4.36Å; F101-Y119 AromaticContact CZ-CD2 3.84Å; F101-Y119 HydrophobicContact CZ-CD2 3.84Å; F101-Y119 HydrophobicContact CZ-CE1 4.31Å; F101-Y119 AromaticContact CZ-CE2 3.8Å; F101-Y119 HydrophobicContact CZ-CE2 3.8Å; F101-Y119 HydrophobicContact CZ-CG 4.12Å; F101-F130 HydrophobicContact CB-CE1 4.2Å; F101-F130 HydrophobicContact CB-CE2 3.95Å; F101-F130 HydrophobicContact CB-CZ 3.51Å; F101-F130 HydrophobicContact CD1-CZ 4.39Å; F101-F130 AromaticContact CD2-CE1 3.42Å; F101-F130 HydrophobicContact CD2-CE1 3.42Å; F101-F130 VanDerWaalsContact CD2-CE1 3.42Å; F101-F130 HydrophobicContact CD2-CE2 4.36Å; F101-F130 AromaticContact CD2-CZ 3.18Å; F101-F130 HydrophobicContact CD2-CZ 3.18Å; F101-F130 HydrophobicContact CE2-CE1 4.07Å; F101-F130 AromaticContact CE2-CZ 3.9Å; F101-F130 HydrophobicContact CE2-CZ 3.9Å; F101-F130 HydrophobicContact CG-CE1 4.1Å; F101-F130 HydrophobicContact CG-CE2 4.27Å; F101-F130 AromaticContact CG-CZ 3.44Å; F101-F130 HydrophobicContact CG-CZ 3.44Å; F101-F130 VanDerWaalsContact CG-CZ 3.44Å
102R90.5Very high93.8Very high164 Ų16455.8 Ų55.862%0.61929%0.291SS*.THydrogen-bonded Turntrans49.137.9-178.5-59.5-175.766.4115.814.4113.3T104 H114R102-T104 VanDerWaalsContact C-N 3.3Å; R102-T104 PolarHBondContact O-N 2.82Å; R102-H114 PolarHBondContact NH1-CE1 2.87Å; R102-H114 PolarHBondContact NH1-NE2 3.03Å
103G92.4Very high94.2Very high61 Ų6158.6 Ų58.663%0.62931%0.314SS*.THydrogen-bonded Turntrans85.2-9.3-178.800000115.1F101F101-G103 PolarHBondContact O-N 2.69Å; F101-G103 VanDerWaalsContact O-N 3.12Å
104T95.3Very high94.5Very high70 Ų7056.7 Ų56.743%0.42931%0.31SS..EExtended strand (participates in β ladder)trans-87.2127.9174.6-54.10000110.5V100 F101 R102 L106 L112V100-T104 WeakPolarHBondContact CA-O 3.3Å; F101-T104 PolarHBondContact N-O 3.43Å; F101-T104 WeakPolarHBondContact O-CB 3.29Å; F101-T104 PolarHBondContact O-N 2.96Å; R102-T104 VanDerWaalsContact C-N 3.3Å; R102-T104 PolarHBondContact O-N 2.82Å; T104-L106 HydrophobicContact CG2-CD2 4.28Å; T104-L112 HydrophobicContact CG2-CD2 4.39Å
105E95.8Very high94.6Very high108 Ų10858.7 Ų58.751%0.50533%0.334SS..EExtended strand (participates in β ladder)trans-80.9132.8171.7-69176.5-147.500110.5K76 V81 C99 V100K76-E105 WeakPolarHBondContact CE-OE1 3.32Å; K76-E105 IonicContact NZ-OE1 2.98Å; K76-E105 PolarHBondContact NZ-OE1 2.77Å; V81-E105 HydrophobicContact CG2-CG 4.06Å; C99-E105 CarbonylContact O-C 3.57Å; C99-E105 WeakPolarHBondContact O-CA 3Å; V100-E105 HydrophobicContact CG2-CG 4.44Å
106L96.9Very high94.6Very high11 Ų1158.8 Ų58.86%0.05834%0.336CS..EExtended strand (participates in β ladder)trans-117.3125.1178.6-59.5178.4000108.7G98 C99 F101 T104 D110 L112 C121 F130G98-L106 CarbonylContact C-O 3.57Å; G98-L106 WeakPolarHBondContact CA-O 3.46Å; C99-L106 HydrophobicContact CB-CB 4.39Å; C99-L106 PolarHBondContact N-O 3.08Å; C99-L106 PolarHBondContact O-N 3.3Å; F101-L106 HydrophobicContact CB-CD1 4.17Å; T104-L106 HydrophobicContact CG2-CD2 4.28Å; L106-D110 HydrophobicContact CB-CB 4.05Å; L106-D110 HydrophobicContact CD2-CB 4.17Å; L106-L112 HydrophobicContact CD1-CB 4.45Å; L106-L112 HydrophobicContact CD2-CB 4.11Å; L106-L112 HydrophobicContact CD2-CD2 4.31Å; L106-C121 HydrophobicContact CB-CB 4.07Å; L106-F130 HydrophobicContact CD1-CE2 3.9Å
107K97.1Very high94.7Very high151 Ų15158.2 Ų58.266%0.65733%0.332SS*.  trans-72.2159.5169.6-61.6177.9-178.2177.50110.1G109 D110K107-G109 PolarHBondContact O-N 3.44Å; K107-D110 WeakPolarHBondContact CB-OD2 3.41Å; K107-D110 PolarHBondContact N-OD2 2.98Å; K107-D110 VanDerWaalsContact O-CB 3.24Å; K107-D110 WeakPolarHBondContact O-CB 3.48Å; K107-D110 PolarHBondContact O-N 3.13Å
108P96Very high94.7Very high62 Ų6256.3 Ų56.340%0.40332%0.322SS..THydrogen-bonded Turntrans-56.3123.9173.5-24.435.3000110.6I97 C121 P123 L128I97-P108 WeakPolarHBondContact O-CD 3.09Å; P108-C121 CarbonylContact C-O 3.46Å; P108-C121 WeakPolarHBondContact CA-O 3.5Å; P108-P123 HydrophobicContact CB-CB 4.27Å; P108-P123 HydrophobicContact CB-CG 4.18Å; P108-L128 HydrophobicContact CB-CD1 4.08Å; P108-L128 HydrophobicContact CG-CD1 4.04Å
109G95.3Very high94.7Very high45 Ų4556.7 Ų56.746%0.46432%0.322SS..THydrogen-bonded Turntrans93.6-15.5-174.400000115K107 C121K107-G109 PolarHBondContact O-N 3.44Å; G109-C121 PolarHBondContact N-O 2.83Å
110D97.2Very high94.7Very high65 Ų6557 Ų5735%0.34832%0.324SS..  trans-62.9148.2176-73.1-6.8000110.4L106 K107 S120 C121L106-D110 HydrophobicContact CB-CB 4.05Å; L106-D110 HydrophobicContact CD2-CB 4.17Å; K107-D110 WeakPolarHBondContact CB-OD2 3.41Å; K107-D110 PolarHBondContact N-OD2 2.98Å; K107-D110 VanDerWaalsContact O-CB 3.24Å; K107-D110 WeakPolarHBondContact O-CB 3.48Å; K107-D110 PolarHBondContact O-N 3.13Å; D110-S120 VanDerWaalsContact O-CA 3.26Å; D110-S120 WeakPolarHBondContact O-CA 3.43Å; D110-S120 WeakPolarHBondContact O-CB 3.29Å; D110-S120 PolarHBondContact O-OG 3.44Å; D110-C121 PolarHBondContact O-N 3.45Å
111R95.5Very high94.7Very high122 Ų12255.9 Ų55.946%0.4632%0.317SS..EExtended strand (participates in β ladder)trans-129139.7-178.9-61.1173.374.692.1-4.4109.7V118 Y119 E142R111-V118 HydrophobicContact CB-CG1 3.99Å; R111-Y119 CarbonylContact C-O 3.57Å; R111-Y119 VanDerWaalsContact CA-O 3.25Å; R111-Y119 WeakPolarHBondContact CA-O 3.38Å; R111-E142 IonicContact CZ-OE2 2.62Å; R111-E142 IonicContact NE-OE2 2.82Å; R111-E142 PolarHBondContact NE-OE2 3.07Å; R111-E142 IonicContact NH2-OE2 3.56Å; R111-E142 PolarHBondContact NH2-OE2 3.01Å
112L95.4Very high94.7Very high55 Ų5556.2 Ų56.229%0.28832%0.321SS..EExtended strand (participates in β ladder)trans-137.7122.4179.1-178.559.5000110.5F101 T104 L106 Y119F101-L112 HydrophobicContact CD1-CD2 3.81Å; T104-L112 HydrophobicContact CG2-CD2 4.39Å; L106-L112 HydrophobicContact CD1-CB 4.45Å; L106-L112 HydrophobicContact CD2-CB 4.11Å; L106-L112 HydrophobicContact CD2-CD2 4.31Å; L112-Y119 PolarHBondContact N-O 2.98Å; L112-Y119 PolarHBondContact O-N 3.49Å
113A95.1Very high94.9Very high63 Ų6352 Ų5252%0.52132%0.315SS..EExtended strand (participates in β ladder)trans-77.2127174.200000110.5I136A113-I136 HydrophobicContact CB-CD1 3.58Å
114H93.7Very high94.7Very high68 Ų6854.4 Ų54.432%0.31531%0.305SS..EExtended strand (participates in β ladder)trans-149.9122.3174.5-176.876.5000111.7F101 R102 F117 Y119F101-H114 HydrophobicContact CE1-CB 3.68Å; F101-H114 AromaticContact CE1-CD2 3.95Å; F101-H114 AromaticContact CE1-CG 3.78Å; F101-H114 HydrophobicContact CZ-CB 4.19Å; F101-H114 AromaticContact CZ-CD2 3.75Å; R102-H114 PolarHBondContact NH1-CE1 2.87Å; R102-H114 PolarHBondContact NH1-NE2 3.03Å; H114-F117 PolarHBondContact N-O 3.42Å; H114-F117 PolarHBondContact O-N 2.88Å; H114-F117 VanDerWaalsContact O-O 3.1Å; H114-Y119 HydrophobicContact CB-CD2 3.9Å; H114-Y119 HydrophobicContact CB-CE2 3.73Å; H114-Y119 WeakPolarHBondContact O-CE2 3.38Å
115G90.7Very high94.2Very high57 Ų5761 Ų6159%0.58833%0.331SS*.THydrogen-bonded Turntrans60-131.2-173.800000111.2F117G115-F117 VanDerWaalsContact C-N 3.32Å; G115-F117 PolarHBondContact O-N 2.77Å
116P90.8Very high93.5Very high27 Ų2762.8 Ų62.818%0.17534%0.337CS..THydrogen-bonded Turntrans-89.812.1-17930.6-23.9000113.9S32 C135 I136 Q167S32-P116 WeakPolarHBondContact OG-CG 3.43Å; P116-C135 CarbonylContact O-C 3.58Å; P116-C135 WeakPolarHBondContact O-CA 3.1Å; P116-I136 PolarHBondContact O-N 2.77Å; P116-Q167 PolarHBondContact O-NE2 2.82Å
117F95.3Very high93Very high2 Ų264.2 Ų64.21%0.00935%0.345CS..EExtended strand (participates in β ladder)trans-136.1156-173.3-58.8-69.4000113.2S32 H114 G115 Y119 A132 A134 I136 L165 Q167S32-F117 WeakPolarHBondContact O-CZ 3.2Å; H114-F117 PolarHBondContact N-O 3.42Å; H114-F117 PolarHBondContact O-N 2.88Å; H114-F117 VanDerWaalsContact O-O 3.1Å; G115-F117 VanDerWaalsContact C-N 3.32Å; G115-F117 PolarHBondContact O-N 2.77Å; F117-Y119 HydrophobicContact CB-CE2 3.93Å; F117-A132 HydrophobicContact CB-CB 4.27Å; F117-A134 CarbonylContact C-O 3.49Å; F117-A134 WeakPolarHBondContact CA-O 3.4Å; F117-I136 WeakPolarHBondContact O-CD1 3.05Å; F117-L165 HydrophobicContact CD1-CD2 4.02Å; F117-L165 HydrophobicContact CD1-CG 4.33Å; F117-L165 HydrophobicContact CE1-CB 4.44Å; F117-L165 HydrophobicContact CE1-CD2 4.41Å; F117-L165 HydrophobicContact CE1-CG 4.24Å; F117-L165 WeakPolarHBondContact CE1-O 3.08Å; F117-L165 WeakPolarHBondContact CZ-O 3.32Å; F117-Q167 HydrophobicContact CE1-CG 4.06Å; F117-Q167 HydrophobicContact CZ-CG 4.39Å
118V95.8Very high92.7Very high0 Ų057.3 Ų57.30%032%0.315CS..EExtended strand (participates in β ladder)trans-105.2125168.1-174.80000107.9R111 A132 V133 A134 I136 E142R111-V118 HydrophobicContact CB-CG1 3.99Å; V118-A132 CarbonylContact O-C 3.59Å; V118-A132 WeakPolarHBondContact O-CA 3.42Å; V118-V133 HydrophobicContact CB-CG2 4.29Å; V118-V133 HydrophobicContact CG1-CG2 4.1Å; V118-V133 WeakPolarHBondContact O-CG2 3.06Å; V118-V133 PolarHBondContact O-N 3.03Å; V118-A134 HydrophobicContact CB-CB 4.04Å; V118-A134 HydrophobicContact CG2-CB 4.07Å; V118-A134 PolarHBondContact N-O 2.86Å; V118-A134 PolarHBondContact O-N 2.86Å; V118-I136 HydrophobicContact CG2-CD1 3.97Å; V118-I136 HydrophobicContact CG2-CG1 3.65Å; V118-E142 HydrophobicContact CG2-CB 4.44Å; V118-E142 HydrophobicContact CG2-CG 3.76Å
119Y95.1Very high92.5Very high13 Ų1354.5 Ų54.55%0.05130%0.297CS..EExtended strand (participates in β ladder)trans-97.8146.1177.6-63.1-82.7000109.8Y34 F101 R111 L112 H114 F117 F130 A132Y34-Y119 HydrophobicContact CD1-CD1 4.13Å; Y34-Y119 AromaticContact CD1-CE1 3.45Å; Y34-Y119 HydrophobicContact CD1-CE1 3.45Å; Y34-Y119 VanDerWaalsContact CD1-CE1 3.45Å; Y34-Y119 HydrophobicContact CD2-CD1 4.42Å; Y34-Y119 AromaticContact CD2-CE1 3.34Å; Y34-Y119 HydrophobicContact CD2-CE1 3.34Å; Y34-Y119 AromaticContact CD2-CZ 3.82Å; Y34-Y119 WeakPolarHBondContact CD2-OH 3.39Å; Y34-Y119 AromaticContact CE1-CD1 3.68Å; Y34-Y119 HydrophobicContact CE1-CD1 3.68Å; Y34-Y119 AromaticContact CE1-CE1 3.38Å; Y34-Y119 HydrophobicContact CE1-CE1 3.38Å; Y34-Y119 HydrophobicContact CE2-CD1 4.08Å; Y34-Y119 AromaticContact CE2-CE1 3.36Å; Y34-Y119 HydrophobicContact CE2-CE1 3.36Å; Y34-Y119 HydrophobicContact CG-CD1 4.43Å; Y34-Y119 AromaticContact CG-CE1 3.37Å; Y34-Y119 HydrophobicContact CG-CE1 3.37Å; Y34-Y119 AromaticContact CG-CZ 3.96Å; Y34-Y119 AromaticContact CZ-CD1 3.68Å; Y34-Y119 AromaticContact CZ-CE1 3.37Å; F101-Y119 AromaticContact CE1-CD2 3.85Å; F101-Y119 HydrophobicContact CE1-CD2 3.85Å; F101-Y119 HydrophobicContact CE1-CE2 4.17Å; F101-Y119 HydrophobicContact CE1-CG 4.23Å; F101-Y119 HydrophobicContact CE2-CD1 4.4Å; F101-Y119 HydrophobicContact CE2-CE1 4.42Å; F101-Y119 HydrophobicContact CE2-CG 4.48Å; F101-Y119 HydrophobicContact CZ-CD1 4.36Å; F101-Y119 AromaticContact CZ-CD2 3.84Å; F101-Y119 HydrophobicContact CZ-CD2 3.84Å; F101-Y119 HydrophobicContact CZ-CE1 4.31Å; F101-Y119 AromaticContact CZ-CE2 3.8Å; F101-Y119 HydrophobicContact CZ-CE2 3.8Å; F101-Y119 HydrophobicContact CZ-CG 4.12Å; R111-Y119 CarbonylContact C-O 3.57Å; R111-Y119 VanDerWaalsContact CA-O 3.25Å; R111-Y119 WeakPolarHBondContact CA-O 3.38Å; L112-Y119 PolarHBondContact N-O 2.98Å; L112-Y119 PolarHBondContact O-N 3.49Å; H114-Y119 HydrophobicContact CB-CD2 3.9Å; H114-Y119 HydrophobicContact CB-CE2 3.73Å; H114-Y119 WeakPolarHBondContact O-CE2 3.38Å; F117-Y119 HydrophobicContact CB-CE2 3.93Å; Y119-F130 AromaticContact CD1-CZ 3.89Å; Y119-F130 HydrophobicContact CD1-CZ 3.89Å; Y119-F130 HydrophobicContact CG-CZ 4.14Å; Y119-A132 HydrophobicContact CD1-CB 4.23Å; Y119-A132 HydrophobicContact CE1-CB 4.02Å
120S95.7Very high92.3Very high7 Ų752.4 Ų52.45%0.04928%0.275CS..EExtended strand (participates in β ladder)trans-145.2148.2175-169.60000111.9D110 V122 E131D110-S120 VanDerWaalsContact O-CA 3.26Å; D110-S120 WeakPolarHBondContact O-CA 3.43Å; D110-S120 WeakPolarHBondContact O-CB 3.29Å; D110-S120 PolarHBondContact O-OG 3.44Å; S120-V122 PolarHBondContact O-N 2.96Å; S120-E131 PolarHBondContact N-O 2.6Å; S120-E131 PolarHBondContact O-N 3.38Å
121C95.8Very high92.1Very high0 Ų050.2 Ų50.20%026%0.262CS..EExtended strand (participates in β ladder)trans-88.394.7168.8-163.30000108.5C99 L106 P108 G109 D110 P123 L128 T129C99-C121 HydrophobicContact CB-CB 3.65Å; C99-C121 WeakPolarHBondContact CB-SG 3.29Å; C99-C121 PolarHBondContact N-SG 3.2Å; C99-C121 WeakPolarHBondContact SG-CA 3.31Å; C99-C121 WeakPolarHBondContact SG-CB 3.15Å; C99-C121 CovalentContact SG-SG 2.05Å; C99-C121 PolarHBondContact SG-SG 2.92Å; L106-C121 HydrophobicContact CB-CB 4.07Å; P108-C121 CarbonylContact C-O 3.46Å; P108-C121 WeakPolarHBondContact CA-O 3.5Å; G109-C121 PolarHBondContact N-O 2.83Å; D110-C121 PolarHBondContact O-N 3.45Å; C121-P123 WeakPolarHBondContact O-CD 3.24Å; C121-L128 VanDerWaalsContact SG-CD2 3.57Å; C121-L128 VanDerWaalsContact SG-CG 3.57Å; C121-T129 CarbonylContact C-O 3.52Å
122V94.3Very high92Very high29 Ų2944.6 Ų44.618%0.17624%0.243CC..EExtended strand (participates in β ladder)trans-92.5114.4-168.9-175.60000110.3S120 R124 T129 E131 V133S120-V122 PolarHBondContact O-N 2.96Å; V122-R124 HydrophobicContact CG1-CG 4.16Å; V122-T129 PolarHBondContact N-O 3.1Å; V122-T129 PolarHBondContact O-N 3.17Å; V122-E131 HydrophobicContact CG2-CG 3.85Å; V122-V133 HydrophobicContact CG2-CG1 3.71Å
123P93Very high91.9Very high77 Ų7743.1 Ų43.150%0.524%0.236SC..EExtended strand (participates in β ladder)trans-74128171.629.5-32.3000110.4P108 C121 L128P108-P123 HydrophobicContact CB-CB 4.27Å; P108-P123 HydrophobicContact CB-CG 4.18Å; C121-P123 WeakPolarHBondContact O-CD 3.24Å; P123-L128 HydrophobicContact CB-CD1 4.34Å
124R89Confident92Very high110 Ų11040.2 Ų40.242%0.41521%0.212SC..EExtended strand (participates in β ladder)trans-129.393.2175.4-65.2-174.6-178-174.86.1110V122 K126 L127 E131V122-R124 HydrophobicContact CG1-CG 4.16Å; R124-K126 PolarHBondContact O-N 2.81Å; R124-L127 HydrophobicContact CB-CB 4.2Å; R124-L127 PolarHBondContact N-O 3.47Å; R124-L127 WeakPolarHBondContact O-CA 3.49Å; R124-L127 WeakPolarHBondContact O-CB 3.48Å; R124-L127 PolarHBondContact O-N 2.87Å; R124-E131 IonicContact CZ-OE1 3.2Å; R124-E131 IonicContact NE-OE1 3.08Å; R124-E131 VanDerWaalsContact NH2-CD 3.29Å; R124-E131 IonicContact NH2-OE1 3.4Å; R124-E131 PolarHBondContact NH2-OE1 2.77Å; R124-E131 IonicContact NH2-OE2 3.55Å; R124-E131 PolarHBondContact NH2-OE2 3.4Å
125Q84.7Confident92.1Very high208 Ų20837 Ų3797%0.97220%0.197SC*.THydrogen-bonded Turntrans54.3-102.4-176.7-58.4177.4-9.200111.8
126K81.8Confident92.2Very high146 Ų14635.4 Ų35.464%0.63517%0.174SC*.THydrogen-bonded Turntrans-104.713.7178-59.2-173.8179.5-176.80113.5R124R124-K126 PolarHBondContact O-N 2.81Å
127L85.3Confident92.2Very high42 Ų4234.4 Ų34.422%0.2217%0.169CC..EExtended strand (participates in β ladder)trans-115.7144.5-179.2-54.7176.6000108.8R40 R124R40-L127 HydrophobicContact CB-CD2 3.71Å; R40-L127 HydrophobicContact CG-CD2 3.32Å; R124-L127 HydrophobicContact CB-CB 4.2Å; R124-L127 PolarHBondContact N-O 3.47Å; R124-L127 WeakPolarHBondContact O-CA 3.49Å; R124-L127 WeakPolarHBondContact O-CB 3.48Å; R124-L127 PolarHBondContact O-N 2.87Å
128L91.4Very high91.7Very high6 Ų638 Ų383%0.03119%0.189CC..EExtended strand (participates in β ladder)trans-114.6125.5164.8-162.762.8000107.1I39 F80 P96 G98 P108 C121 P123I39-L128 PolarHBondContact N-O 2.83Å; I39-L128 PolarHBondContact O-N 3.47Å; F80-L128 HydrophobicContact CD1-CD2 4.31Å; F80-L128 HydrophobicContact CE1-CB 4.39Å; F80-L128 HydrophobicContact CE1-CG 4.45Å; F80-L128 WeakPolarHBondContact CE1-O 3.21Å; P96-L128 HydrophobicContact CB-CB 4Å; P96-L128 HydrophobicContact CB-CD2 4.03Å; P96-L128 HydrophobicContact CG-CB 4.11Å; G98-L128 WeakPolarHBondContact O-CD2 3.49Å; P108-L128 HydrophobicContact CB-CD1 4.08Å; P108-L128 HydrophobicContact CG-CD1 4.04Å; C121-L128 VanDerWaalsContact SG-CD2 3.57Å; C121-L128 VanDerWaalsContact SG-CG 3.57Å; P123-L128 HydrophobicContact CB-CD1 4.34Å
129T91.4Very high91.3Very high3 Ų349.1 Ų49.12%0.01823%0.231CC..EExtended strand (participates in β ladder)trans-116.9130.3-177.7-55.50000109T37 C121 V122 E131T37-T129 WeakPolarHBondContact O-CG2 3.48Å; C121-T129 CarbonylContact C-O 3.52Å; V122-T129 PolarHBondContact N-O 3.1Å; V122-T129 PolarHBondContact O-N 3.17Å; T129-E131 HydrophobicContact CG2-CB 4.15Å; T129-E131 HydrophobicContact CG2-CG 4.22Å
130F91.5Very high91.1Very high0 Ų051 Ų510%025%0.254CS..EExtended strand (participates in β ladder)trans-97.1113.4168.1-175.6-121.1000108.5Y34 S36 T37 F80 C99 F101 L106 Y119Y34-F130 AromaticContact CZ-CE1 3.9Å; Y34-F130 WeakPolarHBondContact OH-CD1 3.48Å; Y34-F130 WeakPolarHBondContact OH-CE1 3.25Å; S36-F130 WeakPolarHBondContact CA-O 3.45Å; T37-F130 PolarHBondContact N-O 2.8Å; T37-F130 PolarHBondContact O-N 2.05Å; F80-F130 HydrophobicContact CE1-CB 4.34Å; F80-F130 HydrophobicContact CZ-CB 4.28Å; C99-F130 HydrophobicContact CB-CB 4.29Å; C99-F130 HydrophobicContact CB-CD2 3.84Å; C99-F130 HydrophobicContact CB-CG 4.26Å; F101-F130 HydrophobicContact CB-CE1 4.2Å; F101-F130 HydrophobicContact CB-CE2 3.95Å; F101-F130 HydrophobicContact CB-CZ 3.51Å; F101-F130 HydrophobicContact CD1-CZ 4.39Å; F101-F130 AromaticContact CD2-CE1 3.42Å; F101-F130 HydrophobicContact CD2-CE1 3.42Å; F101-F130 VanDerWaalsContact CD2-CE1 3.42Å; F101-F130 HydrophobicContact CD2-CE2 4.36Å; F101-F130 AromaticContact CD2-CZ 3.18Å; F101-F130 HydrophobicContact CD2-CZ 3.18Å; F101-F130 HydrophobicContact CE2-CE1 4.07Å; F101-F130 AromaticContact CE2-CZ 3.9Å; F101-F130 HydrophobicContact CE2-CZ 3.9Å; F101-F130 HydrophobicContact CG-CE1 4.1Å; F101-F130 HydrophobicContact CG-CE2 4.27Å; F101-F130 AromaticContact CG-CZ 3.44Å; F101-F130 HydrophobicContact CG-CZ 3.44Å; F101-F130 VanDerWaalsContact CG-CZ 3.44Å; L106-F130 HydrophobicContact CD1-CE2 3.9Å; Y119-F130 AromaticContact CD1-CZ 3.89Å; Y119-F130 HydrophobicContact CD1-CZ 3.89Å; Y119-F130 HydrophobicContact CG-CZ 4.14Å
131E91.9Very high91Very high19 Ų1958.5 Ų58.59%0.08928%0.281CS..EExtended strand (participates in β ladder)trans-144.5156.4-17764.9175158.900113S120 V122 R124 T129 V133 K145S120-E131 PolarHBondContact N-O 2.6Å; S120-E131 PolarHBondContact O-N 3.38Å; V122-E131 HydrophobicContact CG2-CG 3.85Å; R124-E131 IonicContact CZ-OE1 3.2Å; R124-E131 IonicContact NE-OE1 3.08Å; R124-E131 VanDerWaalsContact NH2-CD 3.29Å; R124-E131 IonicContact NH2-OE1 3.4Å; R124-E131 PolarHBondContact NH2-OE1 2.77Å; R124-E131 IonicContact NH2-OE2 3.55Å; R124-E131 PolarHBondContact NH2-OE2 3.4Å; T129-E131 HydrophobicContact CG2-CB 4.15Å; T129-E131 HydrophobicContact CG2-CG 4.22Å; E131-V133 HydrophobicContact CG-CG1 3.86Å; E131-V133 PolarHBondContact O-N 2.96Å; E131-K145 IonicContact OE2-NZ 3.4Å; E131-K145 PolarHBondContact OE2-NZ 2.91Å; E131-K145 VanDerWaalsContact OE2-NZ 3.15Å
132A93.7Very high90.9Very high5 Ų563.2 Ų63.24%0.04130%0.303CS..EExtended strand (participates in β ladder)trans-74.7121.5163.900000109.3Y34 F117 V118 Y119 L165Y34-A132 HydrophobicContact CD1-CB 3.45Å; Y34-A132 VanDerWaalsContact CD1-CB 3.45Å; Y34-A132 HydrophobicContact CE1-CB 4.04Å; Y34-A132 HydrophobicContact CG-CB 4.22Å; F117-A132 HydrophobicContact CB-CB 4.27Å; V118-A132 CarbonylContact O-C 3.59Å; V118-A132 WeakPolarHBondContact O-CA 3.42Å; Y119-A132 HydrophobicContact CD1-CB 4.23Å; Y119-A132 HydrophobicContact CE1-CB 4.02Å; A132-L165 HydrophobicContact CB-CB 3.78Å; A132-L165 HydrophobicContact CB-CD2 3.94Å
133V94.1Very high91Very high24 Ų2464 Ų6415%0.14530%0.304CS..EExtended strand (participates in β ladder)trans-105.6-21.7-173-69.20000113.6V118 V122 E131V118-V133 HydrophobicContact CB-CG2 4.29Å; V118-V133 HydrophobicContact CG1-CG2 4.1Å; V118-V133 WeakPolarHBondContact O-CG2 3.06Å; V118-V133 PolarHBondContact O-N 3.03Å; V122-V133 HydrophobicContact CG2-CG1 3.71Å; E131-V133 HydrophobicContact CG-CG1 3.86Å; E131-V133 PolarHBondContact O-N 2.96Å
134A96Very high91.1Very high2 Ų261.6 Ų61.62%0.01729%0.294CS..EExtended strand (participates in β ladder)trans-150.2159.5178.100000111.8F117 V118 E142 F143F117-A134 CarbonylContact C-O 3.49Å; F117-A134 WeakPolarHBondContact CA-O 3.4Å; V118-A134 HydrophobicContact CB-CB 4.04Å; V118-A134 HydrophobicContact CG2-CB 4.07Å; V118-A134 PolarHBondContact N-O 2.86Å; V118-A134 PolarHBondContact O-N 2.86Å; A134-E142 HydrophobicContact CB-CB 4.31Å; A134-F143 CarbonylContact C-O 3.49Å; A134-F143 WeakPolarHBondContact CA-O 3.11Å; A134-F143 WeakPolarHBondContact CB-O 3.47Å
135C95.8Very high91.2Very high0 Ų061.2 Ų61.20%030%0.295CS..EExtended strand (participates in β ladder)trans-93.9146.7170-65.60000110.2P116 E142 F143 L149 C158 Q167P116-C135 CarbonylContact O-C 3.58Å; P116-C135 WeakPolarHBondContact O-CA 3.1Å; C135-E142 CarbonylContact O-C 3.53Å; C135-E142 WeakPolarHBondContact O-CA 3.19Å; C135-F143 HydrophobicContact CB-CB 4.43Å; C135-F143 PolarHBondContact N-O 3.23Å; C135-F143 PolarHBondContact O-N 3.43Å; C135-L149 HydrophobicContact CB-CD2 3.59Å; C135-C158 HydrophobicContact CB-CB 3.62Å; C135-C158 WeakPolarHBondContact CB-SG 3.48Å; C135-C158 PolarHBondContact N-SG 3.29Å; C135-C158 VanDerWaalsContact N-SG 3.36Å; C135-C158 WeakPolarHBondContact SG-CA 3.24Å; C135-C158 WeakPolarHBondContact SG-CB 3.26Å; C135-C158 CovalentContact SG-SG 2.03Å; C135-C158 PolarHBondContact SG-SG 2.81Å; C135-Q167 HydrophobicContact CB-CG 4.04Å
136I93.4Very high91.6Very high23 Ų2353.1 Ų53.112%0.11827%0.267CS..EExtended strand (participates in β ladder)trans-100.4120.1175.3-58.8175.6000108.4A113 P116 F117 V118 R151 Q167A113-I136 HydrophobicContact CB-CD1 3.58Å; P116-I136 PolarHBondContact O-N 2.77Å; F117-I136 WeakPolarHBondContact O-CD1 3.05Å; V118-I136 HydrophobicContact CG2-CD1 3.97Å; V118-I136 HydrophobicContact CG2-CG1 3.65Å; I136-R151 PolarHBondContact O-NH2 2.92Å; I136-Q167 PolarHBondContact O-NE2 3.43Å; I136-Q167 VanDerWaalsContact O-NE2 3.15Å
137G90.4Very high92.3Very high7 Ų750.8 Ų50.87%0.07226%0.261CS..  trans-94.8-165.8172.200000112.7G140 R141G137-G140 PolarHBondContact O-N 3.47Å; G137-R141 PolarHBondContact N-O 3.21Å
138D85.7Confident92.8Very high78 Ų7853.1 Ų53.142%0.41727%0.271SS..G310 helixtrans-60.2144179.6-68.6-10.5000111.3G140 R151D138-G140 PolarHBondContact O-N 2.86Å; D138-R151 WeakPolarHBondContact OD1-CG 3.46Å
139R87.4Confident92.9Very high232 Ų23253 Ų5388%0.87527%0.27SS*.G310 helixtrans61.222.6-178.3-47.7178.2-172.8173.92114.4R141R139-R141 VanDerWaalsContact C-N 3.32Å; R139-R141 PolarHBondContact O-N 3.01Å
140G89.6Confident92.9Very high52 Ų5255.2 Ų55.254%0.53628%0.284SS..G310 helixtrans78.111.4174.300000114.9G137 D138G137-G140 PolarHBondContact O-N 3.47Å; D138-G140 PolarHBondContact O-N 2.86Å
141R94.3Very high92.8Very high165 Ų16559.4 Ų59.462%0.62330%0.3SS*.  trans-68.5137.3177.6-68.7-177.6-179.7178.2-0.8111.1G137 R139 F143G137-R141 PolarHBondContact N-O 3.21Å; R139-R141 VanDerWaalsContact C-N 3.32Å; R139-R141 PolarHBondContact O-N 3.01Å; R141-F143 HydrophobicContact CB-CE2 3.75Å; R141-F143 HydrophobicContact CB-CZ 4.28Å; R141-F143 VanDerWaalsContact O-CD2 3.29Å; R141-F143 WeakPolarHBondContact O-CD2 3.3Å; R141-F143 WeakPolarHBondContact O-CE2 3.47Å
142E94.8Very high92.7Very high100 Ų10060.9 Ų60.947%0.46732%0.32SS..EExtended strand (participates in β ladder)trans-89.6136.1178.9-55.2-169-173.200111.9R111 V118 A134 C135R111-E142 IonicContact CZ-OE2 2.62Å; R111-E142 IonicContact NE-OE2 2.82Å; R111-E142 PolarHBondContact NE-OE2 3.07Å; R111-E142 IonicContact NH2-OE2 3.56Å; R111-E142 PolarHBondContact NH2-OE2 3.01Å; V118-E142 HydrophobicContact CG2-CB 4.44Å; V118-E142 HydrophobicContact CG2-CG 3.76Å; A134-E142 HydrophobicContact CB-CB 4.31Å; C135-E142 CarbonylContact O-C 3.53Å; C135-E142 WeakPolarHBondContact O-CA 3.19Å
143F95.8Very high92.7Very high45 Ų4565.9 Ų65.920%0.19735%0.346CS..EExtended strand (participates in β ladder)trans-125.8110.4178.8-66.2-95000109.1A134 C135 R141 L147 Q148 L149 C158A134-F143 CarbonylContact C-O 3.49Å; A134-F143 WeakPolarHBondContact CA-O 3.11Å; A134-F143 WeakPolarHBondContact CB-O 3.47Å; C135-F143 HydrophobicContact CB-CB 4.43Å; C135-F143 PolarHBondContact N-O 3.23Å; C135-F143 PolarHBondContact O-N 3.43Å; R141-F143 HydrophobicContact CB-CE2 3.75Å; R141-F143 HydrophobicContact CB-CZ 4.28Å; R141-F143 VanDerWaalsContact O-CD2 3.29Å; R141-F143 WeakPolarHBondContact O-CD2 3.3Å; R141-F143 WeakPolarHBondContact O-CE2 3.47Å; F143-L147 HydrophobicContact CB-CB 4.16Å; F143-L147 HydrophobicContact CD1-CB 4.28Å; F143-Q148 WeakPolarHBondContact CD1-O 3.23Å; F143-Q148 WeakPolarHBondContact CE1-O 3.47Å; F143-L149 HydrophobicContact CB-CD2 4.02Å; F143-L149 HydrophobicContact CD1-CB 3.85Å; F143-L149 HydrophobicContact CD2-CB 3.66Å; F143-L149 HydrophobicContact CD2-CD2 3.94Å; F143-L149 HydrophobicContact CD2-CG 4.43Å; F143-L149 HydrophobicContact CE1-CB 3.84Å; F143-L149 HydrophobicContact CE2-CB 3.67Å; F143-L149 HydrophobicContact CG-CB 3.75Å; F143-L149 HydrophobicContact CG-CD2 4.04Å; F143-L149 HydrophobicContact CZ-CB 3.75Å; F143-C158 PolarHBondContact O-SG 3.49Å
144G94.1Very high92.7Very high27 Ų2764.9 Ų64.928%0.27834%0.34SS..EExtended strand (participates in β ladder)trans-62.217117700000113.8G146 L147G144-G146 PolarHBondContact O-N 3.33Å; G144-L147 WeakPolarHBondContact O-CB 3.28Å; G144-L147 PolarHBondContact O-N 3.27Å
145K91.8Very high92.7Very high102 Ų10264.9 Ų64.944%0.44334%0.34SS..THydrogen-bonded Turntrans-51.6130.3176.2-61.8179.9-177.81780110.3E131 L147 L165E131-K145 IonicContact OE2-NZ 3.4Å; E131-K145 PolarHBondContact OE2-NZ 2.91Å; E131-K145 VanDerWaalsContact OE2-NZ 3.15Å; K145-L147 VanDerWaalsContact C-N 3.32Å; K145-L147 PolarHBondContact O-N 3.3Å; K145-L165 HydrophobicContact CG-CD1 3.87Å
146G93.3Very high92.6Very high37 Ų3765.1 Ų65.138%0.38134%0.341SS..THydrogen-bonded Turntrans87.2-16.5-179.100000115.5G144 K157 C158G144-G146 PolarHBondContact O-N 3.33Å; G146-K157 WeakPolarHBondContact O-CE 3.05Å; G146-C158 WeakPolarHBondContact CA-O 3.49Å; G146-C158 PolarHBondContact N-O 2.77Å
147L96.2Very high92.7Very high97 Ų9767.5 Ų67.551%0.50835%0.35SS..  trans-77.6153.3-179.1-60-174000112.1F143 G144 K145 C158F143-L147 HydrophobicContact CB-CB 4.16Å; F143-L147 HydrophobicContact CD1-CB 4.28Å; G144-L147 WeakPolarHBondContact O-CB 3.28Å; G144-L147 PolarHBondContact O-N 3.27Å; K145-L147 VanDerWaalsContact C-N 3.32Å; K145-L147 PolarHBondContact O-N 3.3Å; L147-C158 PolarHBondContact O-N 2.91Å
148Q95.4Very high93Very high91 Ų9167.1 Ų67.143%0.42535%0.347SS..EExtended strand (participates in β ladder)trans-100.7146177.8-61-169.249.300111.1F143 V155 Y156 K157F143-Q148 WeakPolarHBondContact CD1-O 3.23Å; F143-Q148 WeakPolarHBondContact CE1-O 3.47Å; Q148-V155 HydrophobicContact CB-CG1 4.35Å; Q148-Y156 CarbonylContact C-O 3.6Å; Q148-Y156 WeakPolarHBondContact CA-O 3.36Å; Q148-K157 HydrophobicContact CG-CB 4.37Å; Q148-K157 HydrophobicContact CG-CG 4.14Å
149L94Very high93.3Very high3 Ų365.5 Ų65.52%0.01634%0.337CS..EExtended strand (participates in β ladder)trans-138.7146.9175.465.596000109.2C135 F143 Y156C135-L149 HydrophobicContact CB-CD2 3.59Å; F143-L149 HydrophobicContact CB-CD2 4.02Å; F143-L149 HydrophobicContact CD1-CB 3.85Å; F143-L149 HydrophobicContact CD2-CB 3.66Å; F143-L149 HydrophobicContact CD2-CD2 3.94Å; F143-L149 HydrophobicContact CD2-CG 4.43Å; F143-L149 HydrophobicContact CE1-CB 3.84Å; F143-L149 HydrophobicContact CE2-CB 3.67Å; F143-L149 HydrophobicContact CG-CB 3.75Å; F143-L149 HydrophobicContact CG-CD2 4.04Å; F143-L149 HydrophobicContact CZ-CB 3.75Å; L149-Y156 HydrophobicContact CD1-CD2 4.13Å; L149-Y156 HydrophobicContact CD1-CG 4.3Å; L149-Y156 PolarHBondContact N-O 3.26Å; L149-Y156 PolarHBondContact O-N 3.35Å
150T92.1Very high93.5Very high51 Ų5158.2 Ų58.231%0.31332%0.32SS..EExtended strand (participates in β ladder)trans-107.1138.5177.7-59.10000109.2G152 V154 V173T150-G152 WeakPolarHBondContact CG2-O 3.48Å; T150-V154 WeakPolarHBondContact CA-O 3.13Å; T150-V173 HydrophobicContact CG2-CG2 3.65Å
151R89.5Confident93.3Very high88 Ų8860.5 Ų60.533%0.33232%0.317SS..EExtended strand (participates in β ladder)trans-135.4110.3170.4-178.3-173.8-59.2151.210.4108.8I136 D138 D153 V154 Y156I136-R151 PolarHBondContact O-NH2 2.92Å; D138-R151 WeakPolarHBondContact OD1-CG 3.46Å; R151-D153 PolarHBondContact O-N 2.92Å; R151-V154 PolarHBondContact N-O 2.97Å; R151-V154 PolarHBondContact O-N 2.89Å; R151-Y156 HydrophobicContact CB-CD2 4.29Å; R151-Y156 HydrophobicContact CB-CE2 3.9Å
152G89.8Confident92.8Very high50 Ų5056.1 Ų56.152%0.51532%0.323SS..THydrogen-bonded Turntrans55.9-132.7-167.900000110.8T150 V154T150-G152 WeakPolarHBondContact CG2-O 3.48Å; G152-V154 VanDerWaalsContact C-N 3.25Å; G152-V154 PolarHBondContact O-N 2.84Å
153D92.6Very high92.1Very high109 Ų10957.6 Ų57.658%0.58333%0.334SS*.THydrogen-bonded Turntrans-86.717.1-177.5-53.7-37.4000114.1R151 C172 V173 V204R151-D153 PolarHBondContact O-N 2.92Å; D153-C172 CarbonylContact O-C 3.53Å; D153-C172 WeakPolarHBondContact O-CA 3.44Å; D153-V173 PolarHBondContact O-N 2.95Å; D153-V204 HydrophobicContact CB-CG2 4.36Å
154V94.8Very high91.4Very high4 Ų461.6 Ų61.62%0.02435%0.348CS..EExtended strand (participates in β ladder)trans-123.9132-176.8176.20000112T150 R151 G152 Y156 A169 V202T150-V154 WeakPolarHBondContact CA-O 3.13Å; R151-V154 PolarHBondContact N-O 2.97Å; R151-V154 PolarHBondContact O-N 2.89Å; G152-V154 VanDerWaalsContact C-N 3.25Å; G152-V154 PolarHBondContact O-N 2.84Å; V154-Y156 HydrophobicContact CB-CD2 4.43Å; V154-Y156 HydrophobicContact CB-CE2 3.74Å; V154-Y156 HydrophobicContact CG1-CD2 3.89Å; V154-Y156 HydrophobicContact CG1-CE1 4.21Å; V154-Y156 HydrophobicContact CG1-CE2 3.41Å; V154-Y156 VanDerWaalsContact CG1-CE2 3.41Å; V154-Y156 HydrophobicContact CG1-CG 4.46Å; V154-Y156 WeakPolarHBondContact O-CD2 2.99Å; V154-A169 HydrophobicContact CG1-CB 3.93Å; V154-V202 HydrophobicContact CB-CG2 4.19Å; V154-V202 HydrophobicContact CG1-CG2 3.44Å; V154-V202 VanDerWaalsContact CG1-CG2 3.44Å; V154-V202 HydrophobicContact CG2-CG2 3.73Å
155V95.4Very high91.3Very high2 Ų260.6 Ų60.61%0.01234%0.336CS..EExtended strand (participates in β ladder)trans-93.8124.1173.8-171.60000108.7Q148 V170 G171 V173 E178Q148-V155 HydrophobicContact CB-CG1 4.35Å; V155-V170 HydrophobicContact CB-CG2 4.38Å; V155-V170 HydrophobicContact CG1-CG2 4Å; V155-V170 WeakPolarHBondContact O-CG2 3.5Å; V155-V170 PolarHBondContact O-N 2.93Å; V155-G171 PolarHBondContact N-O 3.18Å; V155-G171 PolarHBondContact O-N 2.96Å; V155-V173 HydrophobicContact CG2-CG2 3.63Å; V155-E178 HydrophobicContact CG2-CB 4.43Å; V155-E178 HydrophobicContact CG2-CG 3.94Å
156Y94.6Very high91.2Very high4 Ų455.9 Ų55.92%0.01632%0.315CS..EExtended strand (participates in β ladder)trans-110.4146.3176.5-64.4-95.5000109.9K30 Q148 L149 R151 V154 Q167 K168 A169K30-Y156 HydrophobicContact CB-CE1 4.3Å; K30-Y156 WeakPolarHBondContact CD-OH 3.21Å; K30-Y156 VanDerWaalsContact CE-OH 3.25Å; K30-Y156 WeakPolarHBondContact CE-OH 3.36Å; K30-Y156 WeakPolarHBondContact CG-OH 3.34Å; Q148-Y156 CarbonylContact C-O 3.6Å; Q148-Y156 WeakPolarHBondContact CA-O 3.36Å; L149-Y156 HydrophobicContact CD1-CD2 4.13Å; L149-Y156 HydrophobicContact CD1-CG 4.3Å; L149-Y156 PolarHBondContact N-O 3.26Å; L149-Y156 PolarHBondContact O-N 3.35Å; R151-Y156 HydrophobicContact CB-CD2 4.29Å; R151-Y156 HydrophobicContact CB-CE2 3.9Å; V154-Y156 HydrophobicContact CB-CD2 4.43Å; V154-Y156 HydrophobicContact CB-CE2 3.74Å; V154-Y156 HydrophobicContact CG1-CD2 3.89Å; V154-Y156 HydrophobicContact CG1-CE1 4.21Å; V154-Y156 HydrophobicContact CG1-CE2 3.41Å; V154-Y156 VanDerWaalsContact CG1-CE2 3.41Å; V154-Y156 HydrophobicContact CG1-CG 4.46Å; V154-Y156 WeakPolarHBondContact O-CD2 2.99Å; Y156-Q167 HydrophobicContact CD1-CB 4.03Å; Y156-K168 CarbonylContact C-O 3.59Å; Y156-K168 VanDerWaalsContact CA-O 3.27Å; Y156-K168 WeakPolarHBondContact CA-O 3.41Å; Y156-A169 HydrophobicContact CD1-CB 4.24Å; Y156-A169 HydrophobicContact CE1-CB 4.13Å
157K95.6Very high91.2Very high73 Ų7354.3 Ų54.332%0.31730%0.298SS..EExtended strand (participates in β ladder)trans-111.8126.2167.9-164.3170.8174.7179.80109G146 Q148 M159 K168 V170G146-K157 WeakPolarHBondContact O-CE 3.05Å; Q148-K157 HydrophobicContact CG-CB 4.37Å; Q148-K157 HydrophobicContact CG-CG 4.14Å; K157-M159 HydrophobicContact CB-CG 3.95Å; K157-M159 HydrophobicContact CB-SD 4.18Å; K157-M159 HydrophobicContact CD-CG 3.95Å; K157-M159 HydrophobicContact CD-SD 3.61Å; K157-M159 HydrophobicContact CG-CG 3.58Å; K157-M159 HydrophobicContact CG-SD 3.91Å; K157-M159 PolarHBondContact O-N 2.86Å; K157-K168 PolarHBondContact N-O 3.1Å; K157-K168 PolarHBondContact O-N 2.86Å; K157-V170 HydrophobicContact CB-CB 4.46Å; K157-V170 HydrophobicContact CB-CG1 3.68Å; K157-V170 HydrophobicContact CB-CG2 3.94Å
158C95.4Very high91Very high0 Ų053.7 Ų53.70%029%0.292CS..EExtended strand (participates in β ladder)trans-74.1111.7172.5-165.10000108.2C135 F143 G146 L147C135-C158 HydrophobicContact CB-CB 3.62Å; C135-C158 WeakPolarHBondContact CB-SG 3.48Å; C135-C158 PolarHBondContact N-SG 3.29Å; C135-C158 VanDerWaalsContact N-SG 3.36Å; C135-C158 WeakPolarHBondContact SG-CA 3.24Å; C135-C158 WeakPolarHBondContact SG-CB 3.26Å; C135-C158 CovalentContact SG-SG 2.03Å; C135-C158 PolarHBondContact SG-SG 2.81Å; F143-C158 PolarHBondContact O-SG 3.49Å; G146-C158 WeakPolarHBondContact CA-O 3.49Å; G146-C158 PolarHBondContact N-O 2.77Å; L147-C158 PolarHBondContact O-N 2.91Å
159M93.8Very high90.9Very high43 Ų4349.8 Ų49.821%0.21228%0.275CS..EExtended strand (participates in β ladder)trans-137.5147.6-173.5-59.3-165.6-36.600112.3K157 I166 K168K157-M159 HydrophobicContact CB-CG 3.95Å; K157-M159 HydrophobicContact CB-SD 4.18Å; K157-M159 HydrophobicContact CD-CG 3.95Å; K157-M159 HydrophobicContact CD-SD 3.61Å; K157-M159 HydrophobicContact CG-CG 3.58Å; K157-M159 HydrophobicContact CG-SD 3.91Å; K157-M159 PolarHBondContact O-N 2.86Å; M159-I166 PolarHBondContact N-O 3.37Å; M159-I166 VanDerWaalsContact O-CG1 3.3Å; M159-I166 WeakPolarHBondContact O-CG1 3.49Å; M159-I166 PolarHBondContact O-N 2.62Å; M159-K168 HydrophobicContact CE-CB 4.04Å; M159-K168 HydrophobicContact CE-CD 3.43Å; M159-K168 VanDerWaalsContact CE-CD 3.43Å; M159-K168 HydrophobicContact CE-CG 4.37Å
160P89.9Confident91Very high80 Ų8051.4 Ų51.452%0.51929%0.285SS..EExtended strand (participates in β ladder)trans-70.4141.7166.230.8-33.1000110.7R164P160-R164 CarbonylContact C-O 3.53Å; P160-R164 VanDerWaalsContact CA-O 3.26Å; P160-R164 WeakPolarHBondContact CA-O 3.44Å
161E85.9Confident91.2Very high100 Ų10049.1 Ų49.147%0.46727%0.271SS..EExtended strand (participates in β ladder)trans-135.796.1170.2-176.7172.4-112.300108.3D163 R164 I166E161-D163 PolarHBondContact O-N 2.91Å; E161-R164 PolarHBondContact N-O 3.28Å; E161-R164 VanDerWaalsContact O-CB 3.28Å; E161-R164 WeakPolarHBondContact O-CB 3.06Å; E161-R164 PolarHBondContact O-N 3.14Å; E161-R164 VanDerWaalsContact O-N 3.16Å; E161-I166 HydrophobicContact CB-CD1 3.86Å; E161-I166 HydrophobicContact CB-CG1 4.01Å; E161-I166 HydrophobicContact CB-CG2 4.11Å; E161-I166 HydrophobicContact CG-CD1 4.42Å
162G83.5Confident91.6Very high73 Ų7344.9 Ų44.975%0.75326%0.255SS*.THydrogen-bonded Turntrans59.1-130.6-165.400000110.7R164G162-R164 PolarHBondContact O-N 3.28Å
163D79.8Confident92Very high130 Ų13044 Ų4470%0.69524%0.239SC*.THydrogen-bonded Turntrans-83.317.6178.6-56.6-34.5000113.2S36 E161S36-D163 PolarHBondContact N-O 2.87Å; S36-D163 PolarHBondContact OG-O 2.05Å; S36-D163 VanDerWaalsContact OG-O 3.12Å; E161-D163 PolarHBondContact O-N 2.91Å
164R82.2Confident92.2Very high129 Ų12939.2 Ų39.249%0.48721%0.214SC..EExtended strand (participates in β ladder)trans-120.9145.7-171.5-54.8-164.6176.3164.5-0.9111.4Y34 P160 E161 G162 I166Y34-R164 WeakPolarHBondContact O-CA 3.17Å; Y34-R164 WeakPolarHBondContact O-CB 3.02Å; Y34-R164 WeakPolarHBondContact O-CG 3.48Å; P160-R164 CarbonylContact C-O 3.53Å; P160-R164 VanDerWaalsContact CA-O 3.26Å; P160-R164 WeakPolarHBondContact CA-O 3.44Å; E161-R164 PolarHBondContact N-O 3.28Å; E161-R164 VanDerWaalsContact O-CB 3.28Å; E161-R164 WeakPolarHBondContact O-CB 3.06Å; E161-R164 PolarHBondContact O-N 3.14Å; E161-R164 VanDerWaalsContact O-N 3.16Å; G162-R164 PolarHBondContact O-N 3.28Å; R164-I166 HydrophobicContact CB-CG2 4.46Å
165L91.2Very high92.3Very high6 Ų643 Ų433%0.03125%0.245CC..EExtended strand (participates in β ladder)trans-98.2129.1164.7-166.967.6000108.7F117 A132 K145F117-L165 HydrophobicContact CD1-CD2 4.02Å; F117-L165 HydrophobicContact CD1-CG 4.33Å; F117-L165 HydrophobicContact CE1-CB 4.44Å; F117-L165 HydrophobicContact CE1-CD2 4.41Å; F117-L165 HydrophobicContact CE1-CG 4.24Å; F117-L165 WeakPolarHBondContact CE1-O 3.08Å; F117-L165 WeakPolarHBondContact CZ-O 3.32Å; A132-L165 HydrophobicContact CB-CB 3.78Å; A132-L165 HydrophobicContact CB-CD2 3.94Å; K145-L165 HydrophobicContact CG-CD1 3.87Å
166I90.9Very high92.3Very high3 Ų346.3 Ų46.32%0.01528%0.28CS..EExtended strand (participates in β ladder)trans-126.6151.8-179.665.3161000111.6Y33 M159 E161 R164 K168Y33-I166 HydrophobicContact CD1-CG2 3.66Å; Y33-I166 HydrophobicContact CE1-CG2 4.28Å; M159-I166 PolarHBondContact N-O 3.37Å; M159-I166 VanDerWaalsContact O-CG1 3.3Å; M159-I166 WeakPolarHBondContact O-CG1 3.49Å; M159-I166 PolarHBondContact O-N 2.62Å; E161-I166 HydrophobicContact CB-CD1 3.86Å; E161-I166 HydrophobicContact CB-CG1 4.01Å; E161-I166 HydrophobicContact CB-CG2 4.11Å; E161-I166 HydrophobicContact CG-CD1 4.42Å; R164-I166 HydrophobicContact CB-CG2 4.46Å; I166-K168 HydrophobicContact CD1-CB 4.14Å
167Q92Very high92.4Very high4 Ų451.4 Ų51.42%0.01930%0.304CS..EExtended strand (participates in β ladder)trans-96.398.8164.4-67.7-172.9-900108.6P116 F117 C135 I136 Y156P116-Q167 PolarHBondContact O-NE2 2.82Å; F117-Q167 HydrophobicContact CE1-CG 4.06Å; F117-Q167 HydrophobicContact CZ-CG 4.39Å; C135-Q167 HydrophobicContact CB-CG 4.04Å; I136-Q167 PolarHBondContact O-NE2 3.43Å; I136-Q167 VanDerWaalsContact O-NE2 3.15Å; Y156-Q167 HydrophobicContact CD1-CB 4.03Å
168K92.5Very high92.5Very high85 Ų8553.2 Ų53.237%0.3731%0.313SS..EExtended strand (participates in β ladder)trans-90125.4178.4-171.8173.9-173.31660110Y156 K157 M159 I166 V170Y156-K168 CarbonylContact C-O 3.59Å; Y156-K168 VanDerWaalsContact CA-O 3.27Å; Y156-K168 WeakPolarHBondContact CA-O 3.41Å; K157-K168 PolarHBondContact N-O 3.1Å; K157-K168 PolarHBondContact O-N 2.86Å; M159-K168 HydrophobicContact CE-CB 4.04Å; M159-K168 HydrophobicContact CE-CD 3.43Å; M159-K168 VanDerWaalsContact CE-CD 3.43Å; M159-K168 HydrophobicContact CE-CG 4.37Å; I166-K168 HydrophobicContact CD1-CB 4.14Å; K168-V170 HydrophobicContact CG-CG1 4.41Å; K168-V170 PolarHBondContact O-N 2.81Å
169A94.3Very high92.6Very high9 Ų953.6 Ų53.67%0.07432%0.316CS..EExtended strand (participates in β ladder)trans-66.1121.7169.900000109.9V154 Y156 V202V154-A169 HydrophobicContact CG1-CB 3.93Å; Y156-A169 HydrophobicContact CD1-CB 4.24Å; Y156-A169 HydrophobicContact CE1-CB 4.13Å; A169-V202 HydrophobicContact CB-CB 4.43Å; A169-V202 HydrophobicContact CB-CG1 3.89Å; A169-V202 HydrophobicContact CB-CG2 3.86Å
170V95.4Very high92.8Very high37 Ų3755.1 Ų55.122%0.22433%0.331CS..EExtended strand (participates in β ladder)trans-120.5-9.6-174.9-67.10000113.4V155 K157 K168 V181V155-V170 HydrophobicContact CB-CG2 4.38Å; V155-V170 HydrophobicContact CG1-CG2 4Å; V155-V170 WeakPolarHBondContact O-CG2 3.5Å; V155-V170 PolarHBondContact O-N 2.93Å; K157-V170 HydrophobicContact CB-CB 4.46Å; K157-V170 HydrophobicContact CB-CG1 3.68Å; K157-V170 HydrophobicContact CB-CG2 3.94Å; K168-V170 HydrophobicContact CG-CG1 4.41Å; K168-V170 PolarHBondContact O-N 2.81Å; V170-V181 VanDerWaalsContact C-CG2 3.43Å; V170-V181 VanDerWaalsContact O-CG2 3.25Å; V170-V181 WeakPolarHBondContact O-CG2 3.34Å; V170-V181 PolarHBondContact O-N 2.85Å
171G97.2Very high93.1Very high2 Ų252.9 Ų52.92%0.02132%0.315CS..EExtended strand (participates in β ladder)trans-174.5-178.1178.800000112.7V155 V179 V202V155-G171 PolarHBondContact N-O 3.18Å; V155-G171 PolarHBondContact O-N 2.96Å; G171-V179 CarbonylContact C-O 3.44Å; G171-V179 WeakPolarHBondContact CA-O 3.05Å; G171-V202 WeakPolarHBondContact O-CG2 3.31Å
172C97.8Very high93.6Very high0 Ų053 Ų530%032%0.316CS..EExtended strand (participates in β ladder)trans-122.2155.9177.2-53.70000109.3D153 I174 E178 V179 C194 V204D153-C172 CarbonylContact O-C 3.53Å; D153-C172 WeakPolarHBondContact O-CA 3.44Å; C172-I174 HydrophobicContact CB-CD1 4.4Å; C172-I174 HydrophobicContact CB-CG1 4.18Å; C172-E178 WeakPolarHBondContact O-CA 3.27Å; C172-V179 PolarHBondContact N-O 2.86Å; C172-V179 PolarHBondContact O-N 2.95Å; C172-C194 HydrophobicContact CB-CB 3.66Å; C172-C194 WeakPolarHBondContact CB-SG 3.14Å; C172-C194 PolarHBondContact N-SG 3.16Å; C172-C194 WeakPolarHBondContact SG-CA 3.08Å; C172-C194 WeakPolarHBondContact SG-CB 3.05Å; C172-C194 CovalentContact SG-SG 2.05Å; C172-C194 PolarHBondContact SG-SG 2.91Å; C172-V204 HydrophobicContact CB-CG2 3.65Å
173V97.2Very high94.3Very high31 Ų3157.8 Ų57.819%0.18831%0.311CS..EExtended strand (participates in β ladder)trans-101.6117.6167.2-177.40000107.8T150 D153 V155 Q177 E178T150-V173 HydrophobicContact CG2-CG2 3.65Å; D153-V173 PolarHBondContact O-N 2.95Å; V155-V173 HydrophobicContact CG2-CG2 3.63Å; V173-Q177 CarbonylContact C-O 3.46Å; V173-Q177 WeakPolarHBondContact CA-O 3.5Å; V173-E178 HydrophobicContact CG2-CG 4.49Å
174I97.2Very high95.1Very high8 Ų854.7 Ų54.74%0.04130%0.3CS..EExtended strand (participates in β ladder)trans-124.1115.4-178-55.8176000107.3C172 G176 Q177 V179 V185 V187 Y192 V204C172-I174 HydrophobicContact CB-CD1 4.4Å; C172-I174 HydrophobicContact CB-CG1 4.18Å; I174-G176 PolarHBondContact O-N 2.97Å; I174-Q177 PolarHBondContact N-O 3.41Å; I174-Q177 WeakPolarHBondContact O-CB 3.35Å; I174-Q177 PolarHBondContact O-N 3Å; I174-V179 HydrophobicContact CB-CG2 4.26Å; I174-V179 HydrophobicContact CD1-CB 4.13Å; I174-V179 HydrophobicContact CD1-CG1 4.4Å; I174-V179 HydrophobicContact CD1-CG2 4.03Å; I174-V179 HydrophobicContact CG1-CG2 4.28Å; I174-V185 HydrophobicContact CB-CG1 3.92Å; I174-V185 HydrophobicContact CD1-CG1 3.92Å; I174-V185 HydrophobicContact CG2-CG1 3.67Å; I174-V187 HydrophobicContact CG2-CG2 4.11Å; I174-Y192 HydrophobicContact CG2-CD1 4.43Å; I174-Y192 HydrophobicContact CG2-CD2 4.03Å; I174-Y192 HydrophobicContact CG2-CG 3.91Å; I174-V204 HydrophobicContact CD1-CG1 3.95Å; I174-V204 HydrophobicContact CD1-CG2 4.19Å; I174-V204 HydrophobicContact CG1-CG1 3.95Å; I174-V204 HydrophobicContact CG1-CG2 3.75Å
175A95.7Very high95.9Very high83 Ų8349.5 Ų49.569%0.68628%0.282SS*.THydrogen-bonded Turntrans50.140.2-174.700000113.7Q177 V187A175-Q177 PolarHBondContact O-N 3.26Å; A175-V187 HydrophobicContact CB-CB 4.31Å; A175-V187 HydrophobicContact CB-CG1 3.7Å; A175-V187 HydrophobicContact CB-CG2 3.69Å
176G96.1Very high96.2Very high72 Ų7251.9 Ų51.974%0.74230%0.297SS*.THydrogen-bonded Turntrans79.7-5.1-178.400000115.2I174I174-G176 PolarHBondContact O-N 2.97Å
177Q97.2Very high96.5Very high111 Ų11153.3 Ų53.352%0.51931%0.306SS..EExtended strand (participates in β ladder)trans-94.9133.8176.2-176.9178-7.300111.4V173 I174 A175 V179V173-Q177 CarbonylContact C-O 3.46Å; V173-Q177 WeakPolarHBondContact CA-O 3.5Å; I174-Q177 PolarHBondContact N-O 3.41Å; I174-Q177 WeakPolarHBondContact O-CB 3.35Å; I174-Q177 PolarHBondContact O-N 3Å; A175-Q177 PolarHBondContact O-N 3.26Å; Q177-V179 HydrophobicContact CG-CG2 4.41Å
178E97.1Very high96.6Very high111 Ų11160.2 Ų60.252%0.51934%0.343SS..EExtended strand (participates in β ladder)trans-74.8126.8169.8-64.9-172.9-179.400111.1V155 C172 V173V155-E178 HydrophobicContact CG2-CB 4.43Å; V155-E178 HydrophobicContact CG2-CG 3.94Å; C172-E178 WeakPolarHBondContact O-CA 3.27Å; V173-E178 HydrophobicContact CG2-CG 4.49Å
179V98.2Very high96.8Very high9 Ų959.6 Ų59.66%0.05534%0.344CS..EExtended strand (participates in β ladder)trans-124.9119-178.4-1780000108.9G171 C172 I174 Q177 R183 V185 C194G171-V179 CarbonylContact C-O 3.44Å; G171-V179 WeakPolarHBondContact CA-O 3.05Å; C172-V179 PolarHBondContact N-O 2.86Å; C172-V179 PolarHBondContact O-N 2.95Å; I174-V179 HydrophobicContact CB-CG2 4.26Å; I174-V179 HydrophobicContact CD1-CB 4.13Å; I174-V179 HydrophobicContact CD1-CG1 4.4Å; I174-V179 HydrophobicContact CD1-CG2 4.03Å; I174-V179 HydrophobicContact CG1-CG2 4.28Å; Q177-V179 HydrophobicContact CG-CG2 4.41Å; V179-R183 HydrophobicContact CG1-CB 3.76Å; V179-V185 HydrophobicContact CG2-CB 4.14Å; V179-V185 HydrophobicContact CG2-CG1 3.86Å; V179-C194 HydrophobicContact CB-CB 4.45Å; V179-C194 HydrophobicContact CG1-CB 4.11Å
180S97.9Very high97Very high75 Ų7559.8 Ų59.852%0.52434%0.344SS..EExtended strand (participates in β ladder)trans-62.6154178.6-49.20000112.1H182 R183S180-H182 PolarHBondContact O-N 2.74Å; S180-R183 VanDerWaalsContact O-CB 3.27Å; S180-R183 WeakPolarHBondContact O-CB 3.48Å; S180-R183 PolarHBondContact O-N 3.29Å
181V95.7Very high97.1Very high32 Ų3260.2 Ų60.219%0.19434%0.342CS..THydrogen-bonded Turntrans-52.6138.2175.6-165.10000111.2V170 R183 R196 V202V170-V181 VanDerWaalsContact C-CG2 3.43Å; V170-V181 VanDerWaalsContact O-CG2 3.25Å; V170-V181 WeakPolarHBondContact O-CG2 3.34Å; V170-V181 PolarHBondContact O-N 2.85Å; V181-R183 PolarHBondContact O-N 2.83Å; V181-R196 HydrophobicContact CG1-CG 3.65Å; V181-V202 HydrophobicContact CG1-CG1 4.12Å; V181-V202 HydrophobicContact CG2-CG1 3.69Å
182H96.1Very high97.1Very high102 Ų10262.8 Ų62.847%0.47235%0.351SS..THydrogen-bonded Turntrans68.4-1.6-175.2-55.7-61.8000116.1S180 C194 R196S180-H182 PolarHBondContact O-N 2.74Å; H182-C194 WeakPolarHBondContact CA-O 3.17Å; H182-C194 PolarHBondContact N-O 2.05Å; H182-R196 PolarHBondContact NE2-NE 2.94Å
183R98.3Very high97.1Very high174 Ų17465.9 Ų65.966%0.65737%0.365SS*.  trans-85.6154.7170.9-58.8-60.7-173.71750110.7V179 S180 V181 K193 C194V179-R183 HydrophobicContact CG1-CB 3.76Å; S180-R183 VanDerWaalsContact O-CB 3.27Å; S180-R183 WeakPolarHBondContact O-CB 3.48Å; S180-R183 PolarHBondContact O-N 3.29Å; V181-R183 PolarHBondContact O-N 2.83Å; R183-K193 WeakPolarHBondContact O-CA 3.36Å; R183-C194 PolarHBondContact O-N 3.46Å
184S97.7Very high97.2Very high65 Ų6564.4 Ų64.446%0.45536%0.356SS..EExtended strand (participates in β ladder)trans-122.4153.6177.458.40000111.2W191 Y192S184-W191 PolarHBondContact OG-NE1 2.84Å; S184-Y192 CarbonylContact C-O 3.57Å; S184-Y192 WeakPolarHBondContact CA-O 3.12Å; S184-Y192 WeakPolarHBondContact CB-O 3.48Å
185V98.1Very high97.1Very high21 Ų2164.9 Ų64.913%0.12736%0.36CS..EExtended strand (participates in β ladder)trans-136.5151.6175.465.70000108.7I174 V179 V187 Y192I174-V185 HydrophobicContact CB-CG1 3.92Å; I174-V185 HydrophobicContact CD1-CG1 3.92Å; I174-V185 HydrophobicContact CG2-CG1 3.67Å; V179-V185 HydrophobicContact CG2-CB 4.14Å; V179-V185 HydrophobicContact CG2-CG1 3.86Å; V185-V187 HydrophobicContact CG1-CG2 4.36Å; V185-Y192 PolarHBondContact N-O 2.84Å; V185-Y192 PolarHBondContact O-N 2.93Å
186T97.9Very high97.1Very high55 Ų5569 Ų6934%0.33736%0.358SS..EExtended strand (participates in β ladder)trans-106126.3170.3-660000108D188 V190 V210 H216T186-D188 WeakPolarHBondContact CG2-O 3.37Å; T186-V190 WeakPolarHBondContact CA-O 3.28Å; T186-V210 HydrophobicContact CG2-CB 4.04Å; T186-V210 HydrophobicContact CG2-CG1 4.38Å; T186-V210 HydrophobicContact CG2-CG2 3.54Å; T186-H216 PolarHBondContact OG1-NE2 2.95Å
187V96.8Very high96.8Very high33 Ų3366.9 Ų66.920%0.233%0.334CS..EExtended strand (participates in β ladder)trans-119.7123.1171.7-175.40000106.1I174 A175 V185 N189 V190 Y192I174-V187 HydrophobicContact CG2-CG2 4.11Å; A175-V187 HydrophobicContact CB-CB 4.31Å; A175-V187 HydrophobicContact CB-CG1 3.7Å; A175-V187 HydrophobicContact CB-CG2 3.69Å; V185-V187 HydrophobicContact CG1-CG2 4.36Å; V187-N189 PolarHBondContact O-N 3.16Å; V187-V190 PolarHBondContact N-O 2.84Å; V187-V190 PolarHBondContact O-N 2.93Å; V187-Y192 HydrophobicContact CB-CD2 4.33Å; V187-Y192 HydrophobicContact CB-CE2 3.92Å; V187-Y192 HydrophobicContact CG2-CD2 4.21Å; V187-Y192 HydrophobicContact CG2-CE2 4.23Å
188D95.2Very high96.3Very high150 Ų15065 Ų6580%0.80234%0.344SS*.THydrogen-bonded Turntrans51.8-118.1-170.4-54.2-44.8000111.3T186T186-D188 WeakPolarHBondContact CG2-O 3.37Å
189N96.1Very high95.5Very high72 Ų7267.4 Ų67.439%0.38536%0.359SS..THydrogen-bonded Turntrans-105.418.2178.263.4-20000113V187 C209 V210V187-N189 PolarHBondContact O-N 3.16Å; N189-C209 CarbonylContact O-C 3.58Å; N189-C209 WeakPolarHBondContact O-CA 3.08Å; N189-V210 PolarHBondContact O-N 2.73Å
190V98Very high94.5Very high13 Ų1367.5 Ų67.58%0.07936%0.362CS..EExtended strand (participates in β ladder)trans-118.6133.5-178-1740000110.7T186 V187 Y192 I206 V239T186-V190 WeakPolarHBondContact CA-O 3.28Å; V187-V190 PolarHBondContact N-O 2.84Å; V187-V190 PolarHBondContact O-N 2.93Å; V190-Y192 HydrophobicContact CB-CD2 4.35Å; V190-Y192 HydrophobicContact CB-CE2 3.51Å; V190-Y192 HydrophobicContact CG1-CD1 4.45Å; V190-Y192 HydrophobicContact CG1-CD2 4.06Å; V190-Y192 HydrophobicContact CG1-CE1 3.9Å; V190-Y192 HydrophobicContact CG1-CE2 3.42Å; V190-Y192 VanDerWaalsContact CG1-CE2 3.42Å; V190-Y192 WeakPolarHBondContact CG1-OH 3.25Å; V190-I206 HydrophobicContact CG1-CG2 3.85Å; V190-V239 HydrophobicContact CB-CG2 4.39Å; V190-V239 HydrophobicContact CG1-CG2 3.65Å; V190-V239 HydrophobicContact CG2-CG2 4.01Å
191W97.7Very high94Very high46 Ų4664.1 Ų64.117%0.17434%0.339CS..EExtended strand (participates in β ladder)trans-101.8119.9178.617437.5000110.1S184 M207 G208 V210 H216S184-W191 PolarHBondContact OG-NE1 2.84Å; W191-M207 HydrophobicContact CD2-CB 3.37Å; W191-M207 HydrophobicContact CD2-CG 4.11Å; W191-M207 HydrophobicContact CE3-CB 3.3Å; W191-M207 HydrophobicContact CE3-CG 4.39Å; W191-M207 HydrophobicContact CG-CB 3.94Å; W191-M207 HydrophobicContact CH2-CB 3.97Å; W191-M207 HydrophobicContact CH2-CE 4.26Å; W191-M207 HydrophobicContact CH2-CG 4.44Å; W191-M207 HydrophobicContact CZ2-CB 4.05Å; W191-M207 HydrophobicContact CZ2-CG 4.18Å; W191-M207 HydrophobicContact CZ3-CB 3.61Å; W191-M207 WeakPolarHBondContact O-CB 3.34Å; W191-M207 PolarHBondContact O-N 2.85Å; W191-G208 PolarHBondContact N-O 2.98Å; W191-G208 PolarHBondContact O-N 3.28Å; W191-V210 HydrophobicContact CB-CG2 3.89Å; W191-H216 AromaticContact CD1-CD2 3.8Å; W191-H216 HydrophobicContact CD2-CB 4.44Å; W191-H216 AromaticContact CD2-CD2 3.58Å; W191-H216 HydrophobicContact CE3-CB 4.06Å; W191-H216 AromaticContact CG-CD2 3.48Å; W191-H216 VanDerWaalsContact CG-CD2 3.48Å; W191-H216 HydrophobicContact CZ3-CB 4.32Å
192Y98Very high94Very high55 Ų5563 Ų6322%0.21633%0.332CS..EExtended strand (participates in β ladder)trans-113.7153.2-178.5-59-92.7000111.2I174 S184 V185 V187 V190 V204 V205 I206I174-Y192 HydrophobicContact CG2-CD1 4.43Å; I174-Y192 HydrophobicContact CG2-CD2 4.03Å; I174-Y192 HydrophobicContact CG2-CG 3.91Å; S184-Y192 CarbonylContact C-O 3.57Å; S184-Y192 WeakPolarHBondContact CA-O 3.12Å; S184-Y192 WeakPolarHBondContact CB-O 3.48Å; V185-Y192 PolarHBondContact N-O 2.84Å; V185-Y192 PolarHBondContact O-N 2.93Å; V187-Y192 HydrophobicContact CB-CD2 4.33Å; V187-Y192 HydrophobicContact CB-CE2 3.92Å; V187-Y192 HydrophobicContact CG2-CD2 4.21Å; V187-Y192 HydrophobicContact CG2-CE2 4.23Å; V190-Y192 HydrophobicContact CB-CD2 4.35Å; V190-Y192 HydrophobicContact CB-CE2 3.51Å; V190-Y192 HydrophobicContact CG1-CD1 4.45Å; V190-Y192 HydrophobicContact CG1-CD2 4.06Å; V190-Y192 HydrophobicContact CG1-CE1 3.9Å; V190-Y192 HydrophobicContact CG1-CE2 3.42Å; V190-Y192 VanDerWaalsContact CG1-CE2 3.42Å; V190-Y192 WeakPolarHBondContact CG1-OH 3.25Å; Y192-V204 HydrophobicContact CD1-CG1 3.83Å; Y192-V204 HydrophobicContact CG-CG1 4.49Å; Y192-V205 CarbonylContact C-O 3.58Å; Y192-V205 WeakPolarHBondContact CA-O 3.15Å; Y192-I206 HydrophobicContact CD1-CG1 4Å; Y192-I206 HydrophobicContact CE1-CD1 4.41Å; Y192-I206 HydrophobicContact CE1-CG1 3.79Å
193K97.5Very high94Very high66 Ų6662.8 Ų62.829%0.28733%0.331SS..EExtended strand (participates in β ladder)trans-132.2135.2171.8-176.3177-178.1177.70110.2R183 A195 V205 M207R183-K193 WeakPolarHBondContact O-CA 3.36Å; K193-A195 PolarHBondContact O-N 3.21Å; K193-V205 PolarHBondContact N-O 2.8Å; K193-V205 PolarHBondContact O-N 3.3Å; K193-M207 HydrophobicContact CB-CG 3.48Å; K193-M207 VanDerWaalsContact CB-CG 3.48Å; K193-M207 HydrophobicContact CB-SD 3.65Å; K193-M207 HydrophobicContact CD-CE 4.5Å; K193-M207 HydrophobicContact CD-CG 4.47Å; K193-M207 HydrophobicContact CD-SD 3.86Å; K193-M207 HydrophobicContact CG-SD 4.4Å
194C97.8Very high93.8Very high0 Ų057 Ų570%032%0.315CS..EExtended strand (participates in β ladder)trans-79.6103.2165.6-1740000108.4C172 V179 H182 R183C172-C194 HydrophobicContact CB-CB 3.66Å; C172-C194 WeakPolarHBondContact CB-SG 3.14Å; C172-C194 PolarHBondContact N-SG 3.16Å; C172-C194 WeakPolarHBondContact SG-CA 3.08Å; C172-C194 WeakPolarHBondContact SG-CB 3.05Å; C172-C194 CovalentContact SG-SG 2.05Å; C172-C194 PolarHBondContact SG-SG 2.91Å; V179-C194 HydrophobicContact CB-CB 4.45Å; V179-C194 HydrophobicContact CG1-CB 4.11Å; H182-C194 WeakPolarHBondContact CA-O 3.17Å; H182-C194 PolarHBondContact N-O 2.05Å; R183-C194 PolarHBondContact O-N 3.46Å
195A96.3Very high93.7Very high17 Ų1756 Ų5614%0.1431%0.306CS..EExtended strand (participates in β ladder)trans-102.5160.8-176.100000111.6K193 V202 E203 V205K193-A195 PolarHBondContact O-N 3.21Å; A195-V202 CarbonylContact O-C 3.55Å; A195-V202 WeakPolarHBondContact O-CA 3.23Å; A195-V202 WeakPolarHBondContact O-CB 3.43Å; A195-E203 PolarHBondContact N-O 3.42Å; A195-E203 PolarHBondContact O-N 3.22Å; A195-V205 HydrophobicContact CB-CB 4.41Å; A195-V205 HydrophobicContact CB-CG2 3.6Å
196R94.8Very high93.7Very high170 Ų17057.1 Ų57.164%0.64231%0.311SS*.EExtended strand (participates in β ladder)trans-77.1135169.2-73.1-172.5177.7-173.70.2109.8V181 H182V181-R196 HydrophobicContact CG1-CG 3.65Å; H182-R196 PolarHBondContact NE2-NE 2.94Å
197A90.2Very high93.6Very high27 Ų2757 Ų5722%0.22331%0.307CS..EExtended strand (participates in β ladder)trans-118.6111.7174.700000109.7G201 E203A197-G201 PolarHBondContact N-O 3.34Å; A197-G201 CarbonylContact O-C 3.57Å; A197-G201 VanDerWaalsContact O-CA 3.23Å; A197-G201 WeakPolarHBondContact O-CA 3.38Å; A197-G201 PolarHBondContact O-N 2.83Å; A197-E203 HydrophobicContact CB-CB 4.08Å; A197-E203 HydrophobicContact CB-CG 3.91Å
198G87.5Confident93.7Very high72 Ų7255.4 Ų55.474%0.74230%0.298SS*.THydrogen-bonded Turntrans63.1-151.9-178.500000114G200G198-G200 PolarHBondContact O-N 2.85Å
199I79.5Confident93.8Very high162 Ų16248.3 Ų48.383%0.83126%0.26SS*.THydrogen-bonded Turntrans-66.2-7.4-172.6-65.1172.2000112.8Y31Y31-I199 PolarHBondContact OH-O 3.27Å
200G77Confident93.9Very high11 Ų1145.5 Ų45.511%0.11325%0.245CC..THydrogen-bonded Turntrans150.439161.200000114.6Y31 G198Y31-G200 WeakPolarHBondContact OH-CA 3.47Å; Y31-G200 PolarHBondContact OH-O 3.3Å; G198-G200 PolarHBondContact O-N 2.85Å
201G88.9Confident93.9Very high4 Ų445.2 Ų45.24%0.04124%0.243CC..EExtended strand (participates in β ladder)trans-67.8167.8145.900000110.4A197A197-G201 PolarHBondContact N-O 3.34Å; A197-G201 CarbonylContact O-C 3.57Å; A197-G201 VanDerWaalsContact O-CA 3.23Å; A197-G201 WeakPolarHBondContact O-CA 3.38Å; A197-G201 PolarHBondContact O-N 2.83Å
202V94.8Very high93.8Very high7 Ų750.5 Ų50.54%0.04228%0.275CS..EExtended strand (participates in β ladder)trans-130.5152.7166.3-57.20000108V154 A169 G171 V181 A195V154-V202 HydrophobicContact CB-CG2 4.19Å; V154-V202 HydrophobicContact CG1-CG2 3.44Å; V154-V202 VanDerWaalsContact CG1-CG2 3.44Å; V154-V202 HydrophobicContact CG2-CG2 3.73Å; A169-V202 HydrophobicContact CB-CB 4.43Å; A169-V202 HydrophobicContact CB-CG1 3.89Å; A169-V202 HydrophobicContact CB-CG2 3.86Å; G171-V202 WeakPolarHBondContact O-CG2 3.31Å; V181-V202 HydrophobicContact CG1-CG1 4.12Å; V181-V202 HydrophobicContact CG2-CG1 3.69Å; A195-V202 CarbonylContact O-C 3.55Å; A195-V202 WeakPolarHBondContact O-CA 3.23Å; A195-V202 WeakPolarHBondContact O-CB 3.43Å
203E95.1Very high93.7Very high98 Ų9851.2 Ų51.246%0.45829%0.288SS..EExtended strand (participates in β ladder)trans-142.7154.5179.671-172.1147.900110.8A195 A197 V205A195-E203 PolarHBondContact N-O 3.42Å; A195-E203 PolarHBondContact O-N 3.22Å; A197-E203 HydrophobicContact CB-CB 4.08Å; A197-E203 HydrophobicContact CB-CG 3.91Å; E203-V205 HydrophobicContact CG-CG2 3.75Å
204V95.7Very high93.7Very high52 Ų5250.1 Ų50.132%0.31530%0.296SS..EExtended strand (participates in β ladder)trans-85.4119.2172.9179.50000107.9D153 C172 I174 Y192D153-V204 HydrophobicContact CB-CG2 4.36Å; C172-V204 HydrophobicContact CB-CG2 3.65Å; I174-V204 HydrophobicContact CD1-CG1 3.95Å; I174-V204 HydrophobicContact CD1-CG2 4.19Å; I174-V204 HydrophobicContact CG1-CG1 3.95Å; I174-V204 HydrophobicContact CG1-CG2 3.75Å; Y192-V204 HydrophobicContact CD1-CG1 3.83Å; Y192-V204 HydrophobicContact CG-CG1 4.49Å
205V95.6Very high93.6Very high46 Ų4654 Ų5428%0.27932%0.316SS..EExtended strand (participates in β ladder)trans-111131.6178.7-178.10000109.4Y192 K193 A195 E203 M207Y192-V205 CarbonylContact C-O 3.58Å; Y192-V205 WeakPolarHBondContact CA-O 3.15Å; K193-V205 PolarHBondContact N-O 2.8Å; K193-V205 PolarHBondContact O-N 3.3Å; A195-V205 HydrophobicContact CB-CB 4.41Å; A195-V205 HydrophobicContact CB-CG2 3.6Å; E203-V205 HydrophobicContact CG-CG2 3.75Å; V205-M207 HydrophobicContact CB-SD 4.48Å; V205-M207 HydrophobicContact CG1-SD 4.05Å; V205-M207 PolarHBondContact O-N 2.87Å
206I96.9Very high93.7Very high44 Ų4457.6 Ų57.623%0.22633%0.329CS..EExtended strand (participates in β ladder)trans-77.3116.9168.3-57.4177000107.7V190 Y192 I219 S237 V239V190-I206 HydrophobicContact CG1-CG2 3.85Å; Y192-I206 HydrophobicContact CD1-CG1 4Å; Y192-I206 HydrophobicContact CE1-CD1 4.41Å; Y192-I206 HydrophobicContact CE1-CG1 3.79Å; I206-I219 HydrophobicContact CG2-CD1 4.21Å; I206-S237 VanDerWaalsContact CD1-O 3.28Å; I206-S237 WeakPolarHBondContact CD1-O 3.47Å; I206-V239 HydrophobicContact CG2-CB 4.24Å; I206-V239 HydrophobicContact CG2-CG1 3.63Å; I206-V239 HydrophobicContact CG2-CG2 3.55Å
207M97.1Very high93.8Very high52 Ų5249.9 Ų49.926%0.25630%0.301SS..EExtended strand (participates in β ladder)trans-87.9-35.3179.4-62.5-57.6-5400111.6W191 K193 V205W191-M207 HydrophobicContact CD2-CB 3.37Å; W191-M207 HydrophobicContact CD2-CG 4.11Å; W191-M207 HydrophobicContact CE3-CB 3.3Å; W191-M207 HydrophobicContact CE3-CG 4.39Å; W191-M207 HydrophobicContact CG-CB 3.94Å; W191-M207 HydrophobicContact CH2-CB 3.97Å; W191-M207 HydrophobicContact CH2-CE 4.26Å; W191-M207 HydrophobicContact CH2-CG 4.44Å; W191-M207 HydrophobicContact CZ2-CB 4.05Å; W191-M207 HydrophobicContact CZ2-CG 4.18Å; W191-M207 HydrophobicContact CZ3-CB 3.61Å; W191-M207 WeakPolarHBondContact O-CB 3.34Å; W191-M207 PolarHBondContact O-N 2.85Å; K193-M207 HydrophobicContact CB-CG 3.48Å; K193-M207 VanDerWaalsContact CB-CG 3.48Å; K193-M207 HydrophobicContact CB-SD 3.65Å; K193-M207 HydrophobicContact CD-CE 4.5Å; K193-M207 HydrophobicContact CD-CG 4.47Å; K193-M207 HydrophobicContact CD-SD 3.86Å; K193-M207 HydrophobicContact CG-SD 4.4Å; V205-M207 HydrophobicContact CB-SD 4.48Å; V205-M207 HydrophobicContact CG1-SD 4.05Å; V205-M207 PolarHBondContact O-N 2.87Å
208G98.1Very high94.2Very high0 Ų052.4 Ų52.40%031%0.311CS..EExtended strand (participates in β ladder)trans166.9-156.9-177.100000113.5W191 V217W191-G208 PolarHBondContact N-O 2.98Å; W191-G208 PolarHBondContact O-N 3.28Å; G208-V217 CarbonylContact C-O 3.59Å; G208-V217 VanDerWaalsContact CA-O 3.26Å; G208-V217 WeakPolarHBondContact CA-O 3.19Å
209C98.3Very high94.7Very high0 Ų052.4 Ų52.40%029%0.293CS..EExtended strand (participates in β ladder)trans-109.5160.1-178.5-53.50000110.2N189 V217 C232 G240 I241N189-C209 CarbonylContact O-C 3.58Å; N189-C209 WeakPolarHBondContact O-CA 3.08Å; C209-V217 PolarHBondContact N-O 2.88Å; C209-V217 PolarHBondContact O-N 2.8Å; C209-C232 HydrophobicContact CB-CB 3.68Å; C209-C232 WeakPolarHBondContact CB-SG 3.39Å; C209-C232 PolarHBondContact N-SG 3.32Å; C209-C232 WeakPolarHBondContact SG-CA 3.25Å; C209-C232 WeakPolarHBondContact SG-CB 3.48Å; C209-C232 CovalentContact SG-SG 2.05Å; C209-C232 PolarHBondContact SG-SG 3.45Å; C209-G240 VanDerWaalsContact SG-C 3.59Å; C209-I241 HydrophobicContact CB-CD1 3.94Å; C209-I241 HydrophobicContact CB-CG1 3.51Å
210V98.2Very high95.5Very high14 Ų1446.9 Ų46.99%0.08528%0.276CS..EExtended strand (participates in β ladder)trans-119.3123.8170.9-172.50000108.7T186 N189 W191 I215 I241T186-V210 HydrophobicContact CG2-CB 4.04Å; T186-V210 HydrophobicContact CG2-CG1 4.38Å; T186-V210 HydrophobicContact CG2-CG2 3.54Å; N189-V210 PolarHBondContact O-N 2.73Å; W191-V210 HydrophobicContact CB-CG2 3.89Å; V210-I215 WeakPolarHBondContact CA-O 3.24Å; V210-I241 VanDerWaalsContact O-CD1 3.24Å; V210-I241 WeakPolarHBondContact O-CD1 3.28Å
211S97.2Very high96.5Very high6 Ų654.3 Ų54.34%0.04230%0.301CS..  trans-66.2167.3177.372.60000111.6S213 G214 I215 F223S211-S213 PolarHBondContact O-N 2.68Å; S211-S213 PolarHBondContact OG-N 3.32Å; S211-S213 PolarHBondContact OG-OG 2.71Å; S211-G214 PolarHBondContact O-N 2.89Å; S211-G214 PolarHBondContact OG-N 3.33Å; S211-I215 PolarHBondContact N-O 2.77Å; S211-I215 VanDerWaalsContact OG-CB 3.3Å; S211-I215 WeakPolarHBondContact OG-CB 3.44Å; S211-I215 PolarHBondContact OG-N 2.85Å; S211-F223 VanDerWaalsContact CB-CE2 3.46Å
212N95.3Very high96.9Very high157 Ų15757.5 Ų57.584%0.8432%0.319SS*.THydrogen-bonded Turntrans-62.8-27.8173.8-67.1-22.5000112.1G214N212-G214 VanDerWaalsContact C-N 3.27Å; N212-G214 PolarHBondContact O-N 2.81Å
213S95.8Very high97Very high70 Ų7058.1 Ų58.149%0.4932%0.322SS..THydrogen-bonded Turntrans-79.11.2171.339.30000114.7S211 E225S211-S213 PolarHBondContact O-N 2.68Å; S211-S213 PolarHBondContact OG-N 3.32Å; S211-S213 PolarHBondContact OG-OG 2.71Å; S213-E225 WeakPolarHBondContact CB-OE1 3.44Å; S213-E225 PolarHBondContact N-OE1 3.47Å; S213-E225 PolarHBondContact OG-OE1 2.71Å
214G96.7Very high97.1Very high43 Ų4359 Ų5944%0.44332%0.321SS..  trans83.114.1177.800000115.2S211 N212S211-G214 PolarHBondContact O-N 2.89Å; S211-G214 PolarHBondContact OG-N 3.33Å; N212-G214 VanDerWaalsContact C-N 3.27Å; N212-G214 PolarHBondContact O-N 2.81Å
215I96.1Very high97.1Very high82 Ų8259 Ų5942%0.42132%0.317SS..  trans-81.3123.5179.5-55.8172000109.4V210 S211 V217V210-I215 WeakPolarHBondContact CA-O 3.24Å; S211-I215 PolarHBondContact N-O 2.77Å; S211-I215 VanDerWaalsContact OG-CB 3.3Å; S211-I215 WeakPolarHBondContact OG-CB 3.44Å; S211-I215 PolarHBondContact OG-N 2.85Å; I215-V217 HydrophobicContact CG2-CG2 4.09Å
216H98Very high97.1Very high93 Ų9360.4 Ų60.443%0.43134%0.341SS..EExtended strand (participates in β ladder)trans-75.5128.8170.5-63.481.3000111T186 W191T186-H216 PolarHBondContact OG1-NE2 2.95Å; W191-H216 AromaticContact CD1-CD2 3.8Å; W191-H216 HydrophobicContact CD2-CB 4.44Å; W191-H216 AromaticContact CD2-CD2 3.58Å; W191-H216 HydrophobicContact CE3-CB 4.06Å; W191-H216 AromaticContact CG-CD2 3.48Å; W191-H216 VanDerWaalsContact CG-CD2 3.48Å; W191-H216 HydrophobicContact CZ3-CB 4.32Å
217V98.1Very high97Very high8 Ų860 Ų605%0.04835%0.347CS..EExtended strand (participates in β ladder)trans-130.5116.5-175.5-175.80000109.3G208 C209 I215 R221 F223 C232G208-V217 CarbonylContact C-O 3.59Å; G208-V217 VanDerWaalsContact CA-O 3.26Å; G208-V217 WeakPolarHBondContact CA-O 3.19Å; C209-V217 PolarHBondContact N-O 2.88Å; C209-V217 PolarHBondContact O-N 2.8Å; I215-V217 HydrophobicContact CG2-CG2 4.09Å; V217-R221 HydrophobicContact CG1-CB 3.85Å; V217-F223 HydrophobicContact CB-CD1 4.25Å; V217-F223 HydrophobicContact CG1-CD1 3.93Å; V217-F223 HydrophobicContact CG2-CB 4.08Å; V217-F223 HydrophobicContact CG2-CD1 3.57Å; V217-F223 HydrophobicContact CG2-CE1 4.07Å; V217-F223 HydrophobicContact CG2-CG 3.82Å; V217-C232 HydrophobicContact CB-CB 4.33Å; V217-C232 HydrophobicContact CG1-CB 3.97Å
218D98Very high97.1Very high79 Ų7961.4 Ų61.442%0.42235%0.351SS..EExtended strand (participates in β ladder)trans-59152.1176.2-60.8-24.5000111.6G220 R221D218-G220 PolarHBondContact O-N 2.93Å; D218-R221 HydrophobicContact CB-CB 4.5Å; D218-R221 HydrophobicContact CB-CG 3.75Å; D218-R221 WeakPolarHBondContact O-CB 3.33Å; D218-R221 PolarHBondContact O-N 3.34Å
219I97.3Very high97.1Very high73 Ų7361.8 Ų61.837%0.37435%0.353SS..THydrogen-bonded Turntrans-55.3129.8175.7-55.2176.6000110.4I206 R221 A234 V239I206-I219 HydrophobicContact CG2-CD1 4.21Å; I219-R221 VanDerWaalsContact C-N 3.28Å; I219-R221 PolarHBondContact O-N 2.98Å; I219-A234 HydrophobicContact CG2-CB 3.99Å; I219-V239 HydrophobicContact CD1-CG1 3.6Å; I219-V239 HydrophobicContact CG1-CG1 3.81Å
220G97Very high97.1Very high46 Ų4664.3 Ų64.347%0.47436%0.363SS..THydrogen-bonded Turntrans85.8-13.7-178.900000114.5D218 C232D218-G220 PolarHBondContact O-N 2.93Å; G220-C232 WeakPolarHBondContact CA-O 3.3Å; G220-C232 PolarHBondContact N-O 2.8Å
221R98.2Very high97.1Very high167 Ų16769.1 Ų69.163%0.6338%0.379SS*.  trans-79.7151.4177.8-60.3-62.5-174.4175.2-1111.6V217 D218 I219 R231 C232V217-R221 HydrophobicContact CG1-CB 3.85Å; D218-R221 HydrophobicContact CB-CB 4.5Å; D218-R221 HydrophobicContact CB-CG 3.75Å; D218-R221 WeakPolarHBondContact O-CB 3.33Å; D218-R221 PolarHBondContact O-N 3.34Å; I219-R221 VanDerWaalsContact C-N 3.28Å; I219-R221 PolarHBondContact O-N 2.98Å; R221-R231 WeakPolarHBondContact O-CA 3.2Å; R221-C232 PolarHBondContact O-N 3.39Å; R221-C232 VanDerWaalsContact O-N 3.07Å
222T97.6Very high97.1Very high70 Ų7068.8 Ų68.843%0.42938%0.377SS..EExtended strand (participates in β ladder)trans-104.3153.1175.451.70000111.2V229 Y230 R231 A244T222-V229 HydrophobicContact CG2-CG1 4.26Å; T222-Y230 CarbonylContact C-O 3.51Å; T222-Y230 WeakPolarHBondContact CA-O 3.27Å; T222-Y230 VanDerWaalsContact CB-O 3.28Å; T222-Y230 WeakPolarHBondContact CB-O 3.26Å; T222-R231 HydrophobicContact CG2-CB 4.04Å; T222-R231 HydrophobicContact CG2-CG 4.28Å; T222-A244 HydrophobicContact CG2-CB 4.42Å
223F97.7Very high97.2Very high21 Ų2166.7 Ų66.79%0.09236%0.357CS..EExtended strand (participates in β ladder)trans-144.3162.4173.869.5-78.3000110.3S211 V217 E225 Y230 I241S211-F223 VanDerWaalsContact CB-CE2 3.46Å; V217-F223 HydrophobicContact CB-CD1 4.25Å; V217-F223 HydrophobicContact CG1-CD1 3.93Å; V217-F223 HydrophobicContact CG2-CB 4.08Å; V217-F223 HydrophobicContact CG2-CD1 3.57Å; V217-F223 HydrophobicContact CG2-CE1 4.07Å; V217-F223 HydrophobicContact CG2-CG 3.82Å; F223-E225 HydrophobicContact CD2-CB 4.46Å; F223-E225 HydrophobicContact CE2-CB 4.13Å; F223-Y230 HydrophobicContact CE1-CG 4.35Å; F223-Y230 HydrophobicContact CE2-CD2 4.2Å; F223-Y230 HydrophobicContact CE2-CG 4.33Å; F223-Y230 VanDerWaalsContact CZ-CB 3.42Å; F223-Y230 HydrophobicContact CZ-CD2 4.31Å; F223-Y230 AromaticContact CZ-CG 3.97Å; F223-Y230 HydrophobicContact CZ-CG 3.97Å; F223-Y230 PolarHBondContact N-O 3.22Å; F223-Y230 PolarHBondContact O-N 3.36Å; F223-I241 HydrophobicContact CE1-CD1 4.29Å; F223-I241 HydrophobicContact CE1-CG1 4.35Å; F223-I241 HydrophobicContact CE1-CG2 3.94Å; F223-I241 HydrophobicContact CZ-CD1 3.98Å; F223-I241 HydrophobicContact CZ-CG1 4.43Å; F223-I241 HydrophobicContact CZ-CG2 3.77Å
224R96.7Very high97.2Very high117 Ų11766 Ų6644%0.44236%0.356SS..EExtended strand (participates in β ladder)trans-102.2137.2177.7-64.3-179.6-175.7-179.2-1.1110V247 L254 D256R224-V247 HydrophobicContact CB-CG2 4.49Å; R224-V247 HydrophobicContact CG-CG2 4.04Å; R224-L254 PolarHBondContact NH1-O 2.94Å; R224-D256 IonicContact CZ-OD1 3.61Å; R224-D256 IonicContact CZ-OD2 2.75Å; R224-D256 VanDerWaalsContact NE-CG 3.28Å; R224-D256 IonicContact NE-OD1 3.89Å; R224-D256 PolarHBondContact NE-OD1 3.16Å; R224-D256 IonicContact NE-OD2 2.67Å; R224-D256 PolarHBondContact NE-OD2 2.81Å; R224-D256 VanDerWaalsContact NE-OD2 3.08Å; R224-D256 IonicContact NH2-OD1 3.44Å; R224-D256 PolarHBondContact NH2-OD1 2.89Å; R224-D256 VanDerWaalsContact NH2-OD1 3.13Å; R224-D256 IonicContact NH2-OD2 2.86Å; R224-D256 PolarHBondContact NH2-OD2 3.49Å
225E95.7Very high96.9Very high51 Ų5170.6 Ų70.624%0.23836%0.36CS..EExtended strand (participates in β ladder)trans-146.3117.3167.9-170.3160.6-133.400108.4S213 F223 G227 Y228 Y230S213-E225 WeakPolarHBondContact CB-OE1 3.44Å; S213-E225 PolarHBondContact N-OE1 3.47Å; S213-E225 PolarHBondContact OG-OE1 2.71Å; F223-E225 HydrophobicContact CD2-CB 4.46Å; F223-E225 HydrophobicContact CE2-CB 4.13Å; E225-G227 PolarHBondContact O-N 3.46Å; E225-Y228 PolarHBondContact N-O 2.82Å; E225-Y228 PolarHBondContact O-N 2.78Å; E225-Y230 HydrophobicContact CB-CD2 4.02Å; E225-Y230 HydrophobicContact CB-CE2 3.84Å
226G94.3Very high96.6Very high76 Ų7671 Ų7178%0.78438%0.384SS*.THydrogen-bonded Turntrans60.3-133-171.600000113Y228G226-Y228 VanDerWaalsContact C-N 3.3Å; G226-Y228 PolarHBondContact O-N 3.06Å
227G95.8Very high96.2Very high34 Ų3472.4 Ų72.435%0.35140%0.404SS..THydrogen-bonded Turntrans-8612.1-178.100000115.3E225 V247 Q286E225-G227 PolarHBondContact O-N 3.46Å; G227-V247 PolarHBondContact O-N 3.25Å; G227-Q286 PolarHBondContact O-NE2 2.68Å
228Y98.2Very high95.9Very high83 Ų8373.3 Ų73.333%0.32542%0.415SS..EExtended strand (participates in β ladder)trans-133.8156.2-169.2-59-73.4000113.3E225 G226 L243 A284E225-Y228 PolarHBondContact N-O 2.82Å; E225-Y228 PolarHBondContact O-N 2.78Å; G226-Y228 VanDerWaalsContact C-N 3.3Å; G226-Y228 PolarHBondContact O-N 3.06Å; Y228-L243 HydrophobicContact CD1-CD2 4.2Å; Y228-L243 HydrophobicContact CG-CD2 3.99Å; Y228-A284 HydrophobicContact CD1-CB 3.58Å; Y228-A284 HydrophobicContact CE1-CB 3.52Å; Y228-A284 WeakPolarHBondContact CE1-O 3.48Å; Y228-A284 PolarHBondContact OH-O 3.15Å
229V98.3Very high95.9Very high8 Ų870.5 Ų70.55%0.04840%0.401CS..EExtended strand (participates in β ladder)trans-105.6129173.4-174.20000107.4T222 A244 G245 V247 D256T222-V229 HydrophobicContact CG2-CG1 4.26Å; V229-A244 HydrophobicContact CG1-CB 4.37Å; V229-A244 WeakPolarHBondContact O-CA 3.34Å; V229-A244 PolarHBondContact O-N 2.78Å; V229-G245 PolarHBondContact N-O 2.03Å; V229-G245 PolarHBondContact O-N 2.9Å; V229-G245 VanDerWaalsContact O-N 3.1Å; V229-V247 HydrophobicContact CG2-CG2 3.73Å; V229-D256 HydrophobicContact CG2-CB 3.77Å; V229-D256 VanDerWaalsContact CG2-OD1 3.25Å; V229-D256 WeakPolarHBondContact CG2-OD1 2.97Å
230Y98.4Very high95.8Very high52 Ų5267.5 Ų67.520%0.20439%0.389CS..EExtended strand (participates in β ladder)trans-113.7162.2177.9-65.1-90.5000110.3T222 F223 E225 I241 V242 L243T222-Y230 CarbonylContact C-O 3.51Å; T222-Y230 WeakPolarHBondContact CA-O 3.27Å; T222-Y230 VanDerWaalsContact CB-O 3.28Å; T222-Y230 WeakPolarHBondContact CB-O 3.26Å; F223-Y230 HydrophobicContact CE1-CG 4.35Å; F223-Y230 HydrophobicContact CE2-CD2 4.2Å; F223-Y230 HydrophobicContact CE2-CG 4.33Å; F223-Y230 VanDerWaalsContact CZ-CB 3.42Å; F223-Y230 HydrophobicContact CZ-CD2 4.31Å; F223-Y230 AromaticContact CZ-CG 3.97Å; F223-Y230 HydrophobicContact CZ-CG 3.97Å; F223-Y230 PolarHBondContact N-O 3.22Å; F223-Y230 PolarHBondContact O-N 3.36Å; E225-Y230 HydrophobicContact CB-CD2 4.02Å; E225-Y230 HydrophobicContact CB-CE2 3.84Å; Y230-I241 HydrophobicContact CD1-CG2 3.76Å; Y230-I241 HydrophobicContact CG-CG2 4.13Å; Y230-V242 CarbonylContact C-O 3.48Å; Y230-V242 VanDerWaalsContact CA-O 3.23Å; Y230-V242 WeakPolarHBondContact CA-O 3.22Å; Y230-L243 HydrophobicContact CD1-CD2 3.92Å; Y230-L243 HydrophobicContact CD1-CG 4.22Å; Y230-L243 HydrophobicContact CE1-CD2 3.39Å; Y230-L243 HydrophobicContact CE1-CG 3.81Å; Y230-L243 HydrophobicContact CE2-CD2 4.39Å
231R98Very high95.9Very high115 Ų11567.6 Ų67.643%0.43438%0.377SS..EExtended strand (participates in β ladder)trans-135.5137.8174.8-178.3177.5-72.9164-1.4110.3R221 T222 R233 I241 V242 A244R221-R231 WeakPolarHBondContact O-CA 3.2Å; T222-R231 HydrophobicContact CG2-CB 4.04Å; T222-R231 HydrophobicContact CG2-CG 4.28Å; R231-R233 PolarHBondContact O-N 3.15Å; R231-I241 WeakPolarHBondContact O-CA 3.46Å; R231-V242 HydrophobicContact CB-CG2 4.21Å; R231-V242 PolarHBondContact N-O 2.98Å; R231-V242 PolarHBondContact O-N 3.17Å; R231-A244 HydrophobicContact CB-CB 3.83Å
232C98.3Very high95.8Very high0 Ų059.9 Ų59.90%035%0.349CS..EExtended strand (participates in β ladder)trans-77.5109.5164.4-175.20000109C209 V217 G220 R221C209-C232 HydrophobicContact CB-CB 3.68Å; C209-C232 WeakPolarHBondContact CB-SG 3.39Å; C209-C232 PolarHBondContact N-SG 3.32Å; C209-C232 WeakPolarHBondContact SG-CA 3.25Å; C209-C232 WeakPolarHBondContact SG-CB 3.48Å; C209-C232 CovalentContact SG-SG 2.05Å; C209-C232 PolarHBondContact SG-SG 3.45Å; V217-C232 HydrophobicContact CB-CB 4.33Å; V217-C232 HydrophobicContact CG1-CB 3.97Å; G220-C232 WeakPolarHBondContact CA-O 3.3Å; G220-C232 PolarHBondContact N-O 2.8Å; R221-C232 PolarHBondContact O-N 3.39Å; R221-C232 VanDerWaalsContact O-N 3.07Å
233R97.6Very high95.9Very high112 Ų11257.5 Ų57.542%0.42333%0.333SS..EExtended strand (participates in β ladder)trans-109.2132.8-174.2-178.4172.6-176.5-174.34.9110.8R231 V239 G240 V242 E281R231-R233 PolarHBondContact O-N 3.15Å; R233-V239 CarbonylContact O-C 3.59Å; R233-V239 VanDerWaalsContact O-CA 3.31Å; R233-V239 WeakPolarHBondContact O-CA 3.48Å; R233-G240 PolarHBondContact N-O 3.49Å; R233-G240 PolarHBondContact O-N 2.99Å; R233-V242 HydrophobicContact CB-CG1 4.4Å; R233-V242 HydrophobicContact CB-CG2 3.78Å; R233-E281 WeakPolarHBondContact CD-OE1 3.38Å; R233-E281 IonicContact CZ-OE1 3.44Å; R233-E281 IonicContact CZ-OE2 3.22Å; R233-E281 IonicContact NE-OE1 3.38Å; R233-E281 IonicContact NH1-OE1 2.71Å; R233-E281 PolarHBondContact NH1-OE1 3.46Å; R233-E281 IonicContact NH1-OE2 2.74Å; R233-E281 PolarHBondContact NH1-OE2 3.37Å
234A95.8Very high95.9Very high57 Ų5757.3 Ų57.347%0.47134%0.336SS..EExtended strand (participates in β ladder)trans-70.6136.4168.900000111.3I219I219-A234 HydrophobicContact CG2-CB 3.99Å
235R90.9Very high96Very high139 Ų13951.8 Ų51.853%0.52532%0.315SS..EExtended strand (participates in β ladder)trans-137.3101178.4-71.9-175.1173.6173.8-0.4109.8S237 G238 E281R235-S237 PolarHBondContact O-N 3.12Å; R235-S237 VanDerWaalsContact O-N 3.16Å; R235-G238 PolarHBondContact N-O 2.72Å; R235-G238 PolarHBondContact O-N 3.01Å; R235-E281 IonicContact NH2-OE2 3.92Å
236G89.8Confident96.1Very high89 Ų8949.3 Ų49.392%0.91830%0.304SS*.THydrogen-bonded Turntrans58.4-119.7-176.900000110.7
237S87.8Confident96.3Very high123 Ų12346.4 Ų46.486%0.8627%0.271SS*.THydrogen-bonded Turntrans-86.5-1.5176.154.40000114.8I206 R235I206-S237 VanDerWaalsContact CD1-O 3.28Å; I206-S237 WeakPolarHBondContact CD1-O 3.47Å; R235-S237 PolarHBondContact O-N 3.12Å; R235-S237 VanDerWaalsContact O-N 3.16Å
238G93.3Very high96.3Very high27 Ų2744.9 Ų44.928%0.27826%0.255SS..EExtended strand (participates in β ladder)trans-122.9-175.1-175.400000114.2R235R235-G238 PolarHBondContact N-O 2.72Å; R235-G238 PolarHBondContact O-N 3.01Å
239V96.9Very high96.2Very high20 Ų2043.3 Ų43.312%0.12126%0.259CS..EExtended strand (participates in β ladder)trans-134.5159.7175.1-61.90000110.4V190 I206 I219 R233V190-V239 HydrophobicContact CB-CG2 4.39Å; V190-V239 HydrophobicContact CG1-CG2 3.65Å; V190-V239 HydrophobicContact CG2-CG2 4.01Å; I206-V239 HydrophobicContact CG2-CB 4.24Å; I206-V239 HydrophobicContact CG2-CG1 3.63Å; I206-V239 HydrophobicContact CG2-CG2 3.55Å; I219-V239 HydrophobicContact CD1-CG1 3.6Å; I219-V239 HydrophobicContact CG1-CG1 3.81Å; R233-V239 CarbonylContact O-C 3.59Å; R233-V239 VanDerWaalsContact O-CA 3.31Å; R233-V239 WeakPolarHBondContact O-CA 3.48Å
240G96.4Very high96Very high11 Ų1144 Ų4411%0.11326%0.262CS..EExtended strand (participates in β ladder)trans-162.1157.3172.900000112.7C209 R233C209-G240 VanDerWaalsContact SG-C 3.59Å; R233-G240 PolarHBondContact N-O 3.49Å; R233-G240 PolarHBondContact O-N 2.99Å
241I97.9Very high95.6Very high47 Ų4749.6 Ų49.624%0.24129%0.292CS..EExtended strand (participates in β ladder)trans-81.3128.8175.7-63.3174.8000108.9C209 V210 F223 Y230 R231C209-I241 HydrophobicContact CB-CD1 3.94Å; C209-I241 HydrophobicContact CB-CG1 3.51Å; V210-I241 VanDerWaalsContact O-CD1 3.24Å; V210-I241 WeakPolarHBondContact O-CD1 3.28Å; F223-I241 HydrophobicContact CE1-CD1 4.29Å; F223-I241 HydrophobicContact CE1-CG1 4.35Å; F223-I241 HydrophobicContact CE1-CG2 3.94Å; F223-I241 HydrophobicContact CZ-CD1 3.98Å; F223-I241 HydrophobicContact CZ-CG1 4.43Å; F223-I241 HydrophobicContact CZ-CG2 3.77Å; Y230-I241 HydrophobicContact CD1-CG2 3.76Å; Y230-I241 HydrophobicContact CG-CG2 4.13Å; R231-I241 WeakPolarHBondContact O-CA 3.46Å
242V97.6Very high95.2Very high5 Ų547.8 Ų47.83%0.0331%0.309CS..EExtended strand (participates in β ladder)trans-128.3153.6176.3-63.20000110.7Y230 R231 R233 E281Y230-V242 CarbonylContact C-O 3.48Å; Y230-V242 VanDerWaalsContact CA-O 3.23Å; Y230-V242 WeakPolarHBondContact CA-O 3.22Å; R231-V242 HydrophobicContact CB-CG2 4.21Å; R231-V242 PolarHBondContact N-O 2.98Å; R231-V242 PolarHBondContact O-N 3.17Å; R233-V242 HydrophobicContact CB-CG1 4.4Å; R233-V242 HydrophobicContact CB-CG2 3.78Å; V242-E281 HydrophobicContact CB-CB 3.99Å; V242-E281 HydrophobicContact CB-CG 4.21Å; V242-E281 HydrophobicContact CG1-CB 4.31Å; V242-E281 HydrophobicContact CG2-CG 4.37Å
243L98.4Very high95Very high20 Ų2054.4 Ų54.411%0.10534%0.34CS..EExtended strand (participates in β ladder)trans-65.5135.5168.1-76.5162.9000109.6Y228 Y230 F259 E281 A284Y228-L243 HydrophobicContact CD1-CD2 4.2Å; Y228-L243 HydrophobicContact CG-CD2 3.99Å; Y230-L243 HydrophobicContact CD1-CD2 3.92Å; Y230-L243 HydrophobicContact CD1-CG 4.22Å; Y230-L243 HydrophobicContact CE1-CD2 3.39Å; Y230-L243 HydrophobicContact CE1-CG 3.81Å; Y230-L243 HydrophobicContact CE2-CD2 4.39Å; L243-F259 HydrophobicContact CB-CZ 3.95Å; L243-F259 WeakPolarHBondContact O-CE2 2.95Å; L243-E281 PolarHBondContact N-O 2.76Å; L243-E281 WeakPolarHBondContact O-CA 3.14Å; L243-A284 HydrophobicContact CD1-CB 4Å; L243-A284 HydrophobicContact CD2-CB 4.15Å
244A98.2Very high94.9Very high18 Ų1854.4 Ų54.415%0.14935%0.348CS..EExtended strand (participates in β ladder)trans-123-13.4-179.300000112.8T222 V229 R231T222-A244 HydrophobicContact CG2-CB 4.42Å; V229-A244 HydrophobicContact CG1-CB 4.37Å; V229-A244 WeakPolarHBondContact O-CA 3.34Å; V229-A244 PolarHBondContact O-N 2.78Å; R231-A244 HydrophobicContact CB-CB 3.83Å
245G98.4Very high95Very high0 Ų057.7 Ų57.70%035%0.348CS..EExtended strand (participates in β ladder)trans167.7-165.1179.800000113.9V229 F257V229-G245 PolarHBondContact N-O 2.03Å; V229-G245 PolarHBondContact O-N 2.9Å; V229-G245 VanDerWaalsContact O-N 3.1Å; G245-F257 CarbonylContact C-O 3.59Å; G245-F257 WeakPolarHBondContact CA-O 3.44Å
246C98.5Very high95.4Very high0 Ų054.5 Ų54.50%034%0.341CS..EExtended strand (participates in β ladder)trans-117.8148.9-177.7-53.10000110.1F257 W263 C277 S285 Q286C246-F257 PolarHBondContact N-O 3.03Å; C246-F257 PolarHBondContact O-N 3.3Å; C246-W263 HydrophobicContact CB-CH2 4.32Å; C246-C277 HydrophobicContact CB-CB 3.67Å; C246-C277 WeakPolarHBondContact CB-SG 3.49Å; C246-C277 PolarHBondContact N-SG 3.42Å; C246-C277 VanDerWaalsContact SG-CA 3.55Å; C246-C277 WeakPolarHBondContact SG-CB 3.5Å; C246-C277 CovalentContact SG-SG 2.05Å; C246-C277 PolarHBondContact SG-SG 3.27Å; C246-S285 PolarHBondContact SG-O 3.12Å; C246-Q286 HydrophobicContact CB-CG 3.76Å
247V98.2Very high95.8Very high15 Ų1551 Ų519%0.09130%0.301CS..EExtended strand (participates in β ladder)trans-97.2118.5168.3-178.50000107.9R224 G227 V229 L254 R255 Q286R224-V247 HydrophobicContact CB-CG2 4.49Å; R224-V247 HydrophobicContact CG-CG2 4.04Å; G227-V247 PolarHBondContact O-N 3.25Å; V229-V247 HydrophobicContact CG2-CG2 3.73Å; V247-L254 HydrophobicContact CG1-CB 4.24Å; V247-L254 HydrophobicContact CG1-CD2 4.28Å; V247-R255 WeakPolarHBondContact CA-O 3.35Å; V247-Q286 PolarHBondContact O-NE2 3.22Å
248G96.4Very high96.3Very high2 Ų251.6 Ų51.62%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-126.5151.8-17700000112.1L254 R255G248-L254 WeakPolarHBondContact O-CA 3.1Å; G248-R255 PolarHBondContact N-O 2.74Å; G248-R255 PolarHBondContact O-N 3.21Å
249A95.5Very high96.5Very high49 Ų4953 Ų5341%0.40529%0.288SS..EExtended strand (participates in β ladder)trans-88.5119171.300000110.4Q253 L254A249-Q253 WeakPolarHBondContact CA-O 3.36Å; A249-L254 HydrophobicContact CB-CD2 4.11Å
250E94.1Very high96.5Very high24 Ų2454.1 Ų54.111%0.11230%0.304CS..EExtended strand (participates in β ladder)trans-120123.3171.1-178.9174.9-129.800108.7G252 Q253 R255 F257 W263E250-G252 PolarHBondContact O-N 2.81Å; E250-G252 VanDerWaalsContact O-N 3.13Å; E250-Q253 PolarHBondContact N-O 3.31Å; E250-Q253 PolarHBondContact O-N 2.83Å; E250-R255 WeakPolarHBondContact OE2-CD 3.06Å; E250-R255 IonicContact OE2-CZ 3.57Å; E250-R255 IonicContact OE2-NE 3.91Å; E250-R255 IonicContact OE2-NH1 3.67Å; E250-R255 PolarHBondContact OE2-NH1 3.5Å; E250-F257 HydrophobicContact CB-CZ 4.05Å; E250-W263 HydrophobicContact CB-CB 4.37Å; E250-W263 HydrophobicContact CG-CB 4.44Å
251M89.7Confident96.6Very high168 Ų16854.2 Ų54.283%0.82830%0.304SS*.THydrogen-bonded Turntrans52.234.5-175.9-54.1-177.7-159.800113.6Q253M251-Q253 VanDerWaalsContact C-N 3.29Å; M251-Q253 PolarHBondContact O-N 3.47Å
252G89.4Confident96.6Very high77 Ų7757.9 Ų57.979%0.79431%0.314SS*.THydrogen-bonded Turntrans81.6-2-179.600000115.2E250E250-G252 PolarHBondContact O-N 2.81Å; E250-G252 VanDerWaalsContact O-N 3.13Å
253Q94.5Very high96.6Very high140 Ų14057.9 Ų57.965%0.65431%0.314SS*.EExtended strand (participates in β ladder)trans-104.7136176.1-63.7-174.3-100111.2A249 E250 M251 R255A249-Q253 WeakPolarHBondContact CA-O 3.36Å; E250-Q253 PolarHBondContact N-O 3.31Å; E250-Q253 PolarHBondContact O-N 2.83Å; M251-Q253 VanDerWaalsContact C-N 3.29Å; M251-Q253 PolarHBondContact O-N 3.47Å; Q253-R255 PolarHBondContact O-N 2.85Å
254L96.3Very high96.5Very high112 Ų11259.2 Ų59.259%0.58632%0.319SS*.EExtended strand (participates in β ladder)trans-76.2118.4173.8-67.7176.8000110.6R224 V247 G248 A249R224-L254 PolarHBondContact NH1-O 2.94Å; V247-L254 HydrophobicContact CG1-CB 4.24Å; V247-L254 HydrophobicContact CG1-CD2 4.28Å; G248-L254 WeakPolarHBondContact O-CA 3.1Å; A249-L254 HydrophobicContact CB-CD2 4.11Å
255R97.7Very high96.2Very high125 Ų12559.5 Ų59.547%0.47232%0.322SS..EExtended strand (participates in β ladder)trans-123.5158-179.7-58.5-174.773.7-177.15110.9V247 G248 E250 Q253 F257V247-R255 WeakPolarHBondContact CA-O 3.35Å; G248-R255 PolarHBondContact N-O 2.74Å; G248-R255 PolarHBondContact O-N 3.21Å; E250-R255 WeakPolarHBondContact OE2-CD 3.06Å; E250-R255 IonicContact OE2-CZ 3.57Å; E250-R255 IonicContact OE2-NE 3.91Å; E250-R255 IonicContact OE2-NH1 3.67Å; E250-R255 PolarHBondContact OE2-NH1 3.5Å; Q253-R255 PolarHBondContact O-N 2.85Å; R255-F257 HydrophobicContact CB-CE1 4.49Å; R255-F257 HydrophobicContact CB-CE2 3.71Å; R255-F257 HydrophobicContact CB-CZ 3.68Å; R255-F257 WeakPolarHBondContact O-CD2 3.06Å
256D98Very high95.5Very high72 Ų7270.3 Ų70.339%0.38536%0.362SS..EExtended strand (participates in β ladder)trans-93.9128.1177.7-63.8-33.1000110.2R224 V229R224-D256 IonicContact CZ-OD1 3.61Å; R224-D256 IonicContact CZ-OD2 2.75Å; R224-D256 VanDerWaalsContact NE-CG 3.28Å; R224-D256 IonicContact NE-OD1 3.89Å; R224-D256 PolarHBondContact NE-OD1 3.16Å; R224-D256 IonicContact NE-OD2 2.67Å; R224-D256 PolarHBondContact NE-OD2 2.81Å; R224-D256 VanDerWaalsContact NE-OD2 3.08Å; R224-D256 IonicContact NH2-OD1 3.44Å; R224-D256 PolarHBondContact NH2-OD1 2.89Å; R224-D256 VanDerWaalsContact NH2-OD1 3.13Å; R224-D256 IonicContact NH2-OD2 2.86Å; R224-D256 PolarHBondContact NH2-OD2 3.49Å; V229-D256 HydrophobicContact CG2-CB 3.77Å; V229-D256 VanDerWaalsContact CG2-OD1 3.25Å; V229-D256 WeakPolarHBondContact CG2-OD1 2.97Å
257F98.3Very high94.7Very high17 Ų1774.6 Ų74.68%0.07539%0.385CS..EExtended strand (participates in β ladder)trans-122.3119-178-65.2-73.8000109.7G245 C246 E250 R255 A261 W263 C277G245-F257 CarbonylContact C-O 3.59Å; G245-F257 WeakPolarHBondContact CA-O 3.44Å; C246-F257 PolarHBondContact N-O 3.03Å; C246-F257 PolarHBondContact O-N 3.3Å; E250-F257 HydrophobicContact CB-CZ 4.05Å; R255-F257 HydrophobicContact CB-CE1 4.49Å; R255-F257 HydrophobicContact CB-CE2 3.71Å; R255-F257 HydrophobicContact CB-CZ 3.68Å; R255-F257 WeakPolarHBondContact O-CD2 3.06Å; F257-A261 HydrophobicContact CB-CB 4.01Å; F257-A261 HydrophobicContact CD1-CB 4.17Å; F257-W263 HydrophobicContact CB-CE3 3.84Å; F257-W263 HydrophobicContact CB-CH2 4.43Å; F257-W263 HydrophobicContact CB-CZ3 3.69Å; F257-W263 HydrophobicContact CD1-CB 4.13Å; F257-W263 HydrophobicContact CD1-CD2 4.05Å; F257-W263 AromaticContact CD1-CE3 3.63Å; F257-W263 HydrophobicContact CD1-CE3 3.63Å; F257-W263 HydrophobicContact CD1-CG 4.3Å; F257-W263 HydrophobicContact CD1-CZ3 4.36Å; F257-W263 AromaticContact CD2-CD2 3.59Å; F257-W263 HydrophobicContact CD2-CD2 3.59Å; F257-W263 AromaticContact CD2-CE2 3.9Å; F257-W263 AromaticContact CD2-CE3 3.59Å; F257-W263 HydrophobicContact CD2-CE3 3.59Å; F257-W263 HydrophobicContact CD2-CG 4.14Å; F257-W263 HydrophobicContact CD2-CH2 4.24Å; F257-W263 HydrophobicContact CD2-CZ2 4.22Å; F257-W263 AromaticContact CD2-CZ3 3.92Å; F257-W263 HydrophobicContact CD2-CZ3 3.92Å; F257-W263 HydrophobicContact CE1-CB 3.4Å; F257-W263 VanDerWaalsContact CE1-CB 3.4Å; F257-W263 HydrophobicContact CE1-CD2 4.04Å; F257-W263 HydrophobicContact CE1-CE3 4.06Å; F257-W263 AromaticContact CE1-CG 3.81Å; F257-W263 HydrophobicContact CE1-CG 3.81Å; F257-W263 HydrophobicContact CE2-CB 4.08Å; F257-W263 AromaticContact CE2-CD1 3.89Å; F257-W263 AromaticContact CE2-CD2 3.55Å; F257-W263 HydrophobicContact CE2-CD2 3.55Å; F257-W263 AromaticContact CE2-CE2 3.86Å; F257-W263 HydrophobicContact CE2-CE3 4Å; F257-W263 AromaticContact CE2-CG 3.59Å; F257-W263 HydrophobicContact CE2-CG 3.59Å; F257-W263 AromaticContact CG-CD2 3.84Å; F257-W263 HydrophobicContact CG-CD2 3.84Å; F257-W263 AromaticContact CG-CE3 3.37Å; F257-W263 HydrophobicContact CG-CE3 3.37Å; F257-W263 HydrophobicContact CG-CG 4.46Å; F257-W263 HydrophobicContact CG-CH2 4.45Å; F257-W263 AromaticContact CG-CZ3 3.72Å; F257-W263 HydrophobicContact CG-CZ3 3.72Å; F257-W263 HydrophobicContact CZ-CB 3.36Å; F257-W263 AromaticContact CZ-CD1 3.94Å; F257-W263 AromaticContact CZ-CD2 3.78Å; F257-W263 HydrophobicContact CZ-CD2 3.78Å; F257-W263 HydrophobicContact CZ-CE3 4.23Å; F257-W263 AromaticContact CZ-CG 3.4Å; F257-W263 HydrophobicContact CZ-CG 3.4Å; F257-W263 VanDerWaalsContact CZ-CG 3.4Å; F257-C277 HydrophobicContact CB-CB 4.36Å
258H98.1Very high93.8Very high134 Ų13479 Ų7962%0.6241%0.412SS*.EExtended strand (participates in β ladder)trans-68.3164.7173.260.8-87.4000110.9G260 A261H258-G260 PolarHBondContact O-N 2.56Å; H258-A261 WeakPolarHBondContact O-CB 3.38Å; H258-A261 PolarHBondContact O-N 2.89Å
259F98.2Very high93.4Very high56 Ų5682.1 Ų82.125%0.24644%0.444CS..THydrogen-bonded Turntrans-58.2132.6177.2-58.2-54.1000112.2L243 A261 C277 N280 A284L243-F259 HydrophobicContact CB-CZ 3.95Å; L243-F259 WeakPolarHBondContact O-CE2 2.95Å; F259-A261 VanDerWaalsContact C-N 3.26Å; F259-A261 PolarHBondContact O-N 3.15Å; F259-C277 WeakPolarHBondContact CA-O 3.36Å; F259-N280 WeakPolarHBondContact CE2-O 3.35Å; F259-N280 VanDerWaalsContact CZ-C 3.46Å; F259-N280 WeakPolarHBondContact CZ-O 3.37Å; F259-A284 HydrophobicContact CE1-CB 3.81Å; F259-A284 HydrophobicContact CZ-CB 4.43Å
260G97.7Very high93.2Very high44 Ų4483.7 Ų83.745%0.45444%0.444SS..THydrogen-bonded Turntrans83.3-9.3-173.800000114.4H258 C277H258-G260 PolarHBondContact O-N 2.56Å; G260-C277 PolarHBondContact N-O 2.97Å
261A98.2Very high93.1Very high13 Ų1383.4 Ų83.411%0.10744%0.444CS..  trans-68.6141.8173.900000110.6F257 H258 F259 E276 C277F257-A261 HydrophobicContact CB-CB 4.01Å; F257-A261 HydrophobicContact CD1-CB 4.17Å; H258-A261 WeakPolarHBondContact O-CB 3.38Å; H258-A261 PolarHBondContact O-N 2.89Å; F259-A261 VanDerWaalsContact C-N 3.26Å; F259-A261 PolarHBondContact O-N 3.15Å; A261-E276 WeakPolarHBondContact O-CA 3.29Å; A261-C277 PolarHBondContact O-N 3.38Å
262R97.7Very high93.4Very high125 Ų12575.4 Ų75.447%0.47241%0.405SS..EExtended strand (participates in β ladder)trans-118.9145.4177.7-62.8179174.11516110.6M274 M275 E276 H290R262-M274 HydrophobicContact CB-CE 3.85Å; R262-M275 CarbonylContact C-O 3.55Å; R262-M275 WeakPolarHBondContact CA-O 3.45Å; R262-M275 WeakPolarHBondContact CB-O 3.28Å; R262-E276 HydrophobicContact CG-CB 3.97Å; R262-E276 HydrophobicContact CG-CG 3.89Å; R262-E276 IonicContact CZ-OE2 3.64Å; R262-E276 VanDerWaalsContact CZ-OE2 3.27Å; R262-E276 IonicContact NE-OE1 3.13Å; R262-E276 IonicContact NE-OE2 3.15Å; R262-E276 PolarHBondContact NE-OE2 2.75Å; R262-E276 IonicContact NH2-OE1 3.72Å; R262-E276 IonicContact NH2-OE2 2.62Å; R262-E276 PolarHBondContact NH2-OE2 2.71Å; R262-H290 PolarHBondContact NH1-CE1 2.59Å
263W97.2Very high93.7Very high5 Ų573.9 Ų73.92%0.01938%0.375CS..EExtended strand (participates in β ladder)trans-146.1160.7177.366.898.8000111.8C246 E250 F257 M274 M275 C277 Q286C246-W263 HydrophobicContact CB-CH2 4.32Å; E250-W263 HydrophobicContact CB-CB 4.37Å; E250-W263 HydrophobicContact CG-CB 4.44Å; F257-W263 HydrophobicContact CB-CE3 3.84Å; F257-W263 HydrophobicContact CB-CH2 4.43Å; F257-W263 HydrophobicContact CB-CZ3 3.69Å; F257-W263 HydrophobicContact CD1-CB 4.13Å; F257-W263 HydrophobicContact CD1-CD2 4.05Å; F257-W263 AromaticContact CD1-CE3 3.63Å; F257-W263 HydrophobicContact CD1-CE3 3.63Å; F257-W263 HydrophobicContact CD1-CG 4.3Å; F257-W263 HydrophobicContact CD1-CZ3 4.36Å; F257-W263 AromaticContact CD2-CD2 3.59Å; F257-W263 HydrophobicContact CD2-CD2 3.59Å; F257-W263 AromaticContact CD2-CE2 3.9Å; F257-W263 AromaticContact CD2-CE3 3.59Å; F257-W263 HydrophobicContact CD2-CE3 3.59Å; F257-W263 HydrophobicContact CD2-CG 4.14Å; F257-W263 HydrophobicContact CD2-CH2 4.24Å; F257-W263 HydrophobicContact CD2-CZ2 4.22Å; F257-W263 AromaticContact CD2-CZ3 3.92Å; F257-W263 HydrophobicContact CD2-CZ3 3.92Å; F257-W263 HydrophobicContact CE1-CB 3.4Å; F257-W263 VanDerWaalsContact CE1-CB 3.4Å; F257-W263 HydrophobicContact CE1-CD2 4.04Å; F257-W263 HydrophobicContact CE1-CE3 4.06Å; F257-W263 AromaticContact CE1-CG 3.81Å; F257-W263 HydrophobicContact CE1-CG 3.81Å; F257-W263 HydrophobicContact CE2-CB 4.08Å; F257-W263 AromaticContact CE2-CD1 3.89Å; F257-W263 AromaticContact CE2-CD2 3.55Å; F257-W263 HydrophobicContact CE2-CD2 3.55Å; F257-W263 AromaticContact CE2-CE2 3.86Å; F257-W263 HydrophobicContact CE2-CE3 4Å; F257-W263 AromaticContact CE2-CG 3.59Å; F257-W263 HydrophobicContact CE2-CG 3.59Å; F257-W263 AromaticContact CG-CD2 3.84Å; F257-W263 HydrophobicContact CG-CD2 3.84Å; F257-W263 AromaticContact CG-CE3 3.37Å; F257-W263 HydrophobicContact CG-CE3 3.37Å; F257-W263 HydrophobicContact CG-CG 4.46Å; F257-W263 HydrophobicContact CG-CH2 4.45Å; F257-W263 AromaticContact CG-CZ3 3.72Å; F257-W263 HydrophobicContact CG-CZ3 3.72Å; F257-W263 HydrophobicContact CZ-CB 3.36Å; F257-W263 AromaticContact CZ-CD1 3.94Å; F257-W263 AromaticContact CZ-CD2 3.78Å; F257-W263 HydrophobicContact CZ-CD2 3.78Å; F257-W263 HydrophobicContact CZ-CE3 4.23Å; F257-W263 AromaticContact CZ-CG 3.4Å; F257-W263 HydrophobicContact CZ-CG 3.4Å; F257-W263 VanDerWaalsContact CZ-CG 3.4Å; W263-M274 CarbonylContact O-C 3.53Å; W263-M274 VanDerWaalsContact O-CA 3.29Å; W263-M274 WeakPolarHBondContact O-CA 3.43Å; W263-M275 HydrophobicContact CD2-CB 3.77Å; W263-M275 HydrophobicContact CE3-CB 4.2Å; W263-M275 HydrophobicContact CG-CB 4.36Å; W263-M275 HydrophobicContact CH2-CB 3.84Å; W263-M275 HydrophobicContact CZ2-CB 3.36Å; W263-M275 HydrophobicContact CZ2-CG 4.08Å; W263-M275 HydrophobicContact CZ3-CB 4.24Å; W263-M275 PolarHBondContact N-O 2.84Å; W263-M275 PolarHBondContact O-N 2.72Å; W263-C277 HydrophobicContact CH2-CB 4.16Å; W263-C277 HydrophobicContact CZ3-CB 3.83Å; W263-Q286 HydrophobicContact CH2-CB 4.44Å; W263-Q286 HydrophobicContact CH2-CG 4.14Å; W263-Q286 HydrophobicContact CZ2-CG 4.41Å
264F95.5Very high93.8Very high47 Ų4768.3 Ų68.321%0.20635%0.349CS..EExtended strand (participates in β ladder)trans-84119.6176.2-67.1-69.2000110.7M274 V292 R299 I301F264-M274 HydrophobicContact CD1-CG 3.47Å; F264-M274 VanDerWaalsContact CD1-CG 3.47Å; F264-M274 HydrophobicContact CD1-SD 4.3Å; F264-M274 HydrophobicContact CE1-CE 4.27Å; F264-M274 HydrophobicContact CE1-CG 3.24Å; F264-M274 HydrophobicContact CE1-SD 3.46Å; F264-M274 WeakPolarHBondContact CE1-SD 3.01Å; F264-M274 HydrophobicContact CZ-CE 4.26Å; F264-M274 HydrophobicContact CZ-CG 4.14Å; F264-M274 HydrophobicContact CZ-SD 3.87Å; F264-V292 HydrophobicContact CD1-CG2 3.97Å; F264-V292 HydrophobicContact CE1-CG2 3.73Å; F264-R299 VanDerWaalsContact CZ-NH1 3.25Å; F264-I301 HydrophobicContact CE1-CD1 4.1Å; F264-I301 HydrophobicContact CZ-CD1 3.95Å
265A92.4Very high93.8Very high25 Ų2564.5 Ų64.521%0.20733%0.329CS..PPolyproline II helixtrans-75.6166.4165.800000110.7Y273 M275A265-Y273 PolarHBondContact N-O 2.74Å; A265-M275 HydrophobicContact CB-CG 3.81Å; A265-M275 HydrophobicContact CB-SD 4.42Å
266R83.8Confident93.8Very high227 Ų22760.2 Ų60.286%0.85731%0.314SS*.PPolyproline II helixtrans-59.3139.9176-168.4178.6-175.8-1691.2110.7
267N82.8Confident93.9Very high89 Ų8956.8 Ų56.848%0.47630%0.296SS..PPolyproline II helixtrans-67.7145.5175.5-63.6-20.7000111.6G272N267-G272 WeakPolarHBondContact OD1-CA 3.48Å
268V78.4Confident93.9Very high108 Ų10859 Ų5966%0.65531%0.308SS*.BIsolated β-bridgetrans-112.493.1165.9-1750000107.3I271 Y273V268-I271 CarbonylContact C-O 3.53Å; V268-I271 PolarHBondContact N-O 2.72Å; V268-I271 PolarHBondContact O-N 2.72Å; V268-I271 VanDerWaalsContact O-O 3.07Å; V268-Y273 HydrophobicContact CG2-CE2 4.48Å
269G87.9Confident93.8Very high67 Ų6753.9 Ų53.969%0.69129%0.291SS*.THydrogen-bonded Turntrans68.3-131.1-171.900000111.9I271G269-I271 VanDerWaalsContact C-N 3.33Å
270I90.7Very high93.8Very high82 Ų8254.3 Ų54.342%0.42130%0.296SS..THydrogen-bonded Turntrans-80.8-13.3179.664.2171.4000113.5N294 E295 L330I270-N294 PolarHBondContact O-N 3.3Å; I270-E295 HydrophobicContact CB-CG 4.27Å; I270-E295 HydrophobicContact CD1-CG 4.2Å; I270-E295 WeakPolarHBondContact CD1-OE1 3.26Å; I270-E295 HydrophobicContact CG2-CG 4.34Å; I270-L330 HydrophobicContact CD1-CD2 4.38Å
271I93.6Very high93.8Very high18 Ų1855.1 Ų55.19%0.09229%0.288CS..EExtended strand (participates in β ladder)trans-103.4125.5-179.4-55.6-55.9000109.3V268 G269 Y273 V292 V293 F316V268-I271 CarbonylContact C-O 3.53Å; V268-I271 PolarHBondContact N-O 2.72Å; V268-I271 PolarHBondContact O-N 2.72Å; V268-I271 VanDerWaalsContact O-O 3.07Å; G269-I271 VanDerWaalsContact C-N 3.33Å; I271-Y273 HydrophobicContact CG2-CE1 4.24Å; I271-Y273 HydrophobicContact CG2-CE2 4.47Å; I271-V292 CarbonylContact C-O 3.53Å; I271-V292 WeakPolarHBondContact CA-O 3.46Å; I271-V293 HydrophobicContact CD1-CB 3.96Å; I271-V293 HydrophobicContact CD1-CG2 3.94Å; I271-F316 HydrophobicContact CD1-CE2 3.99Å
272G94.5Very high93.8Very high1 Ų165.3 Ų65.31%0.0132%0.324CS..EExtended strand (participates in β ladder)trans-110172.9166.900000111.5N267 V292N267-G272 WeakPolarHBondContact OD1-CA 3.48Å; G272-V292 PolarHBondContact N-O 2.77Å; G272-V292 PolarHBondContact O-N 2.73Å
273Y95.9Very high93.8Very high45 Ų4564.5 Ų64.518%0.17633%0.325CS..EExtended strand (participates in β ladder)trans-129.6143.7179.1-59.9-78.1000110.1A265 V268 I271 I288 V326A265-Y273 PolarHBondContact N-O 2.74Å; V268-Y273 HydrophobicContact CG2-CE2 4.48Å; I271-Y273 HydrophobicContact CG2-CE1 4.24Å; I271-Y273 HydrophobicContact CG2-CE2 4.47Å; Y273-I288 HydrophobicContact CD1-CD1 4.11Å; Y273-I288 HydrophobicContact CD1-CG2 3.77Å; Y273-I288 HydrophobicContact CG-CD1 4.25Å; Y273-I288 HydrophobicContact CG-CG2 4.34Å; Y273-V326 HydrophobicContact CE1-CG1 4.39Å
274M96.8Very high93.8Very high23 Ų2364.9 Ų64.911%0.11333%0.329CS..EExtended strand (participates in β ladder)trans-96.2126.3163.8-68.3-179.663.400109R262 W263 F264 I288 S289 H290 V292 I301R262-M274 HydrophobicContact CB-CE 3.85Å; W263-M274 CarbonylContact O-C 3.53Å; W263-M274 VanDerWaalsContact O-CA 3.29Å; W263-M274 WeakPolarHBondContact O-CA 3.43Å; F264-M274 HydrophobicContact CD1-CG 3.47Å; F264-M274 VanDerWaalsContact CD1-CG 3.47Å; F264-M274 HydrophobicContact CD1-SD 4.3Å; F264-M274 HydrophobicContact CE1-CE 4.27Å; F264-M274 HydrophobicContact CE1-CG 3.24Å; F264-M274 HydrophobicContact CE1-SD 3.46Å; F264-M274 WeakPolarHBondContact CE1-SD 3.01Å; F264-M274 HydrophobicContact CZ-CE 4.26Å; F264-M274 HydrophobicContact CZ-CG 4.14Å; F264-M274 HydrophobicContact CZ-SD 3.87Å; M274-I288 CarbonylContact O-C 3.49Å; M274-I288 WeakPolarHBondContact O-CA 3.05Å; M274-S289 PolarHBondContact O-N 3.19Å; M274-S289 PolarHBondContact O-OG 3.2Å; M274-H290 HydrophobicContact CB-CB 3.96Å; M274-H290 HydrophobicContact CG-CB 4.2Å; M274-H290 PolarHBondContact N-O 2.05Å; M274-H290 PolarHBondContact O-N 2.91Å; M274-H290 HydrophobicContact SD-CB 4.01Å; M274-V292 HydrophobicContact CG-CG2 3.74Å; M274-V292 HydrophobicContact SD-CG2 4.42Å; M274-I301 HydrophobicContact SD-CD1 4.02Å; M274-I301 HydrophobicContact SD-CG2 3.59Å; M274-I301 VanDerWaalsContact SD-CG2 3.59Å
275M97.2Very high93.9Very high32 Ų3264.6 Ų64.616%0.15833%0.333CS..EExtended strand (participates in β ladder)trans-88.9153.8170.8-58.4-59.3-65.100109.5R262 W263 A265 Q286 E287 I288R262-M275 CarbonylContact C-O 3.55Å; R262-M275 WeakPolarHBondContact CA-O 3.45Å; R262-M275 WeakPolarHBondContact CB-O 3.28Å; W263-M275 HydrophobicContact CD2-CB 3.77Å; W263-M275 HydrophobicContact CE3-CB 4.2Å; W263-M275 HydrophobicContact CG-CB 4.36Å; W263-M275 HydrophobicContact CH2-CB 3.84Å; W263-M275 HydrophobicContact CZ2-CB 3.36Å; W263-M275 HydrophobicContact CZ2-CG 4.08Å; W263-M275 HydrophobicContact CZ3-CB 4.24Å; W263-M275 PolarHBondContact N-O 2.84Å; W263-M275 PolarHBondContact O-N 2.72Å; A265-M275 HydrophobicContact CB-CG 3.81Å; A265-M275 HydrophobicContact CB-SD 4.42Å; M275-Q286 HydrophobicContact CE-CB 3.87Å; M275-E287 CarbonylContact C-O 3.47Å; M275-E287 VanDerWaalsContact CA-O 3.29Å; M275-E287 WeakPolarHBondContact CA-O 3.39Å; M275-I288 HydrophobicContact CE-CG1 4.44Å; M275-I288 HydrophobicContact SD-CG1 3.67Å
276E98Very high94.1Very high35 Ų3566.9 Ų66.916%0.16434%0.339CS..EExtended strand (participates in β ladder)trans-132.5135.7171.7-174.8167.1172.600109A261 R262 I278 Q286 E287 S289A261-E276 WeakPolarHBondContact O-CA 3.29Å; R262-E276 HydrophobicContact CG-CB 3.97Å; R262-E276 HydrophobicContact CG-CG 3.89Å; R262-E276 IonicContact CZ-OE2 3.64Å; R262-E276 VanDerWaalsContact CZ-OE2 3.27Å; R262-E276 IonicContact NE-OE1 3.13Å; R262-E276 IonicContact NE-OE2 3.15Å; R262-E276 PolarHBondContact NE-OE2 2.75Å; R262-E276 IonicContact NH2-OE1 3.72Å; R262-E276 IonicContact NH2-OE2 2.62Å; R262-E276 PolarHBondContact NH2-OE2 2.71Å; E276-I278 HydrophobicContact CB-CG1 4.35Å; E276-I278 HydrophobicContact CG-CG1 3.99Å; E276-I278 PolarHBondContact O-N 2.8Å; E276-Q286 WeakPolarHBondContact O-CA 2.8Å; E276-E287 PolarHBondContact N-O 2.94Å; E276-E287 PolarHBondContact O-N 3.12Å; E276-S289 VanDerWaalsContact OE2-CB 3.24Å; E276-S289 WeakPolarHBondContact OE2-CB 3.33Å
277C98.6Very high94.7Very high0 Ų059.5 Ų59.50%032%0.315CS..EExtended strand (participates in β ladder)trans-85.7105.1172.5-177.30000108.5C246 F257 F259 G260 A261 W263C246-C277 HydrophobicContact CB-CB 3.67Å; C246-C277 WeakPolarHBondContact CB-SG 3.49Å; C246-C277 PolarHBondContact N-SG 3.42Å; C246-C277 VanDerWaalsContact SG-CA 3.55Å; C246-C277 WeakPolarHBondContact SG-CB 3.5Å; C246-C277 CovalentContact SG-SG 2.05Å; C246-C277 PolarHBondContact SG-SG 3.27Å; F257-C277 HydrophobicContact CB-CB 4.36Å; F259-C277 WeakPolarHBondContact CA-O 3.36Å; G260-C277 PolarHBondContact N-O 2.97Å; A261-C277 PolarHBondContact O-N 3.38Å; W263-C277 HydrophobicContact CH2-CB 4.16Å; W263-C277 HydrophobicContact CZ3-CB 3.83Å
278I98Very high95.4Very high64 Ų6457.3 Ų57.333%0.32830%0.303SS..EExtended strand (participates in β ladder)trans-100.6130.4-179.1-57.2-179.2000108E276 A284 S285 E287E276-I278 HydrophobicContact CB-CG1 4.35Å; E276-I278 HydrophobicContact CG-CG1 3.99Å; E276-I278 PolarHBondContact O-N 2.8Å; I278-A284 CarbonylContact O-C 3.51Å; I278-A284 WeakPolarHBondContact O-CA 3.31Å; I278-S285 PolarHBondContact N-O 2.66Å; I278-S285 PolarHBondContact O-N 2.88Å; I278-S285 PolarHBondContact O-OG 2.76Å; I278-E287 HydrophobicContact CD1-CB 3.8Å; I278-E287 HydrophobicContact CD1-CG 3.97Å
279G97.6Very high96.3Very high26 Ų2653 Ų5327%0.26828%0.277SS..EExtended strand (participates in β ladder)trans164-167.6178.900000115.8H283G279-H283 CarbonylContact C-O 3.53Å; G279-H283 WeakPolarHBondContact CA-O 3.02Å
280N97.8Very high96.8Very high65 Ų6551 Ų5135%0.34825%0.249SC..  trans-154.6-168.4174.759.839.6000108.6F259 R282 H283F259-N280 WeakPolarHBondContact CE2-O 3.35Å; F259-N280 VanDerWaalsContact CZ-C 3.46Å; F259-N280 WeakPolarHBondContact CZ-O 3.37Å; N280-R282 PolarHBondContact O-N 3.34Å; N280-R282 WeakPolarHBondContact OD1-CA 3.16Å; N280-R282 WeakPolarHBondContact OD1-CB 3.44Å; N280-R282 PolarHBondContact OD1-N 2.87Å; N280-H283 PolarHBondContact N-O 3.39Å; N280-H283 PolarHBondContact ND2-CE1 3.39Å; N280-H283 PolarHBondContact ND2-NE2 3.46Å; N280-H283 PolarHBondContact O-N 2.99Å; N280-H283 PolarHBondContact OD1-N 3.39Å; N280-H283 VanDerWaalsContact OD1-N 3.1Å
281E97.4Very high97.1Very high60 Ų6047 Ų4728%0.2823%0.229SC..SBendtrans-64.4-10.3-177.4-64.3-159.1153.900116.1R233 R235 V242 L243R233-E281 WeakPolarHBondContact CD-OE1 3.38Å; R233-E281 IonicContact CZ-OE1 3.44Å; R233-E281 IonicContact CZ-OE2 3.22Å; R233-E281 IonicContact NE-OE1 3.38Å; R233-E281 IonicContact NH1-OE1 2.71Å; R233-E281 PolarHBondContact NH1-OE1 3.46Å; R233-E281 IonicContact NH1-OE2 2.74Å; R233-E281 PolarHBondContact NH1-OE2 3.37Å; R235-E281 IonicContact NH2-OE2 3.92Å; V242-E281 HydrophobicContact CB-CB 3.99Å; V242-E281 HydrophobicContact CB-CG 4.21Å; V242-E281 HydrophobicContact CG1-CB 4.31Å; V242-E281 HydrophobicContact CG2-CG 4.37Å; L243-E281 PolarHBondContact N-O 2.76Å; L243-E281 WeakPolarHBondContact O-CA 3.14Å
282R97.3Very high97.3Very high228 Ų22846.4 Ų46.486%0.8623%0.226SC*.SBendtrans-111.4-31.1-177.3-60.5-175179.5-160.1-0113.3N280N280-R282 PolarHBondContact O-N 3.34Å; N280-R282 WeakPolarHBondContact OD1-CA 3.16Å; N280-R282 WeakPolarHBondContact OD1-CB 3.44Å; N280-R282 PolarHBondContact OD1-N 2.87Å
283H97.9Very high97.3Very high108 Ų10846.3 Ų46.350%0.523%0.226SC..  trans-138.9146.3-179.86458.2000111.2G279 N280G279-H283 CarbonylContact C-O 3.53Å; G279-H283 WeakPolarHBondContact CA-O 3.02Å; N280-H283 PolarHBondContact N-O 3.39Å; N280-H283 PolarHBondContact ND2-CE1 3.39Å; N280-H283 PolarHBondContact ND2-NE2 3.46Å; N280-H283 PolarHBondContact O-N 2.99Å; N280-H283 PolarHBondContact OD1-N 3.39Å; N280-H283 VanDerWaalsContact OD1-N 3.1Å
284A98.1Very high97.1Very high13 Ų1348.9 Ų48.911%0.10724%0.242CC..EExtended strand (participates in β ladder)trans-143.3134.6175.500000109.9Y228 L243 F259 I278Y228-A284 HydrophobicContact CD1-CB 3.58Å; Y228-A284 HydrophobicContact CE1-CB 3.52Å; Y228-A284 WeakPolarHBondContact CE1-O 3.48Å; Y228-A284 PolarHBondContact OH-O 3.15Å; L243-A284 HydrophobicContact CD1-CB 4Å; L243-A284 HydrophobicContact CD2-CB 4.15Å; F259-A284 HydrophobicContact CE1-CB 3.81Å; F259-A284 HydrophobicContact CZ-CB 4.43Å; I278-A284 CarbonylContact O-C 3.51Å; I278-A284 WeakPolarHBondContact O-CA 3.31Å
285S97.5Very high96.7Very high41 Ų4150.6 Ų50.629%0.28725%0.25SS..EExtended strand (participates in β ladder)trans-134.9155.5173.860.40000110.1C246 I278C246-S285 PolarHBondContact SG-O 3.12Å; I278-S285 PolarHBondContact N-O 2.66Å; I278-S285 PolarHBondContact O-N 2.88Å; I278-S285 PolarHBondContact O-OG 2.76Å
286Q96.9Very high96.3Very high72 Ų7259 Ų5934%0.33629%0.286SS..EExtended strand (participates in β ladder)trans-109.1123171-56.9-177.328.900107.4G227 C246 V247 W263 M275 E276G227-Q286 PolarHBondContact O-NE2 2.68Å; C246-Q286 HydrophobicContact CB-CG 3.76Å; V247-Q286 PolarHBondContact O-NE2 3.22Å; W263-Q286 HydrophobicContact CH2-CB 4.44Å; W263-Q286 HydrophobicContact CH2-CG 4.14Å; W263-Q286 HydrophobicContact CZ2-CG 4.41Å; M275-Q286 HydrophobicContact CE-CB 3.87Å; E276-Q286 WeakPolarHBondContact O-CA 2.8Å
287E96.3Very high95.7Very high72 Ų7263.3 Ų63.334%0.33630%0.304SS..EExtended strand (participates in β ladder)trans-126.8149.8-178.6-67.1-166.6-148.900111.6M275 E276 I278 S289 R320M275-E287 CarbonylContact C-O 3.47Å; M275-E287 VanDerWaalsContact CA-O 3.29Å; M275-E287 WeakPolarHBondContact CA-O 3.39Å; E276-E287 PolarHBondContact N-O 2.94Å; E276-E287 PolarHBondContact O-N 3.12Å; I278-E287 HydrophobicContact CD1-CB 3.8Å; I278-E287 HydrophobicContact CD1-CG 3.97Å; E287-S289 PolarHBondContact O-N 2.79Å; E287-R320 IonicContact OE2-NH2 3.86Å; E287-R320 PolarHBondContact OE2-NH2 3.26Å
288I97Very high95.4Very high44 Ų4464.8 Ų64.823%0.22632%0.32CS..EExtended strand (participates in β ladder)trans-73.6116170.1-63.5167.6000107.6Y273 M274 M275 V304 V326Y273-I288 HydrophobicContact CD1-CD1 4.11Å; Y273-I288 HydrophobicContact CD1-CG2 3.77Å; Y273-I288 HydrophobicContact CG-CD1 4.25Å; Y273-I288 HydrophobicContact CG-CG2 4.34Å; M274-I288 CarbonylContact O-C 3.49Å; M274-I288 WeakPolarHBondContact O-CA 3.05Å; M275-I288 HydrophobicContact CE-CG1 4.44Å; M275-I288 HydrophobicContact SD-CG1 3.67Å; I288-V304 HydrophobicContact CG2-CG2 4.17Å; I288-V304 VanDerWaalsContact O-CG2 3.31Å; I288-V304 WeakPolarHBondContact O-CG2 3.02Å; I288-V326 HydrophobicContact CB-CB 4.18Å; I288-V326 HydrophobicContact CB-CG1 4.4Å; I288-V326 HydrophobicContact CB-CG2 4.06Å; I288-V326 HydrophobicContact CD1-CB 3.91Å; I288-V326 HydrophobicContact CD1-CG2 4.42Å; I288-V326 HydrophobicContact CG2-CB 4.04Å; I288-V326 HydrophobicContact CG2-CG1 3.73Å; I288-V326 HydrophobicContact CG2-CG2 4.27Å
289S97.5Very high95.2Very high16 Ų1667.9 Ų67.911%0.11233%0.327CS..EExtended strand (participates in β ladder)trans-94.4-32.7178.260.30000112.4M274 E276 E287 P303 V304M274-S289 PolarHBondContact O-N 3.19Å; M274-S289 PolarHBondContact O-OG 3.2Å; E276-S289 VanDerWaalsContact OE2-CB 3.24Å; E276-S289 WeakPolarHBondContact OE2-CB 3.33Å; E287-S289 PolarHBondContact O-N 2.79Å; S289-P303 WeakPolarHBondContact O-CA 3.08Å; S289-V304 PolarHBondContact O-N 2.9Å
290H98Very high95.1Very high25 Ų2570.4 Ų70.412%0.11633%0.331CS..EExtended strand (participates in β ladder)trans-143.8151.9-178-54.765.3000111.5R262 M274 I301 T302 P303R262-H290 PolarHBondContact NH1-CE1 2.59Å; M274-H290 HydrophobicContact CB-CB 3.96Å; M274-H290 HydrophobicContact CG-CB 4.2Å; M274-H290 PolarHBondContact N-O 2.05Å; M274-H290 PolarHBondContact O-N 2.91Å; M274-H290 HydrophobicContact SD-CB 4.01Å; H290-I301 HydrophobicContact CB-CG2 3.6Å; H290-T302 VanDerWaalsContact CA-O 3.28Å; H290-T302 WeakPolarHBondContact CA-O 3.33Å; H290-T302 WeakPolarHBondContact CB-O 3.47Å; H290-P303 VanDerWaalsContact CD2-CA 3.48Å; H290-P303 WeakPolarHBondContact CD2-CA 3.45Å
291C97.4Very high95Very high0 Ų070.5 Ų70.50%033%0.33CS..EExtended strand (participates in β ladder)trans-95.5148.2162.5-56.50000108.8I301 T302 F316 C318C291-I301 WeakPolarHBondContact O-CA 3.46Å; C291-T302 PolarHBondContact N-O 2.94Å; C291-T302 PolarHBondContact O-N 3.12Å; C291-F316 VanDerWaalsContact C-CZ 3.48Å; C291-F316 HydrophobicContact CB-CE1 4.39Å; C291-F316 HydrophobicContact CB-CE2 4.06Å; C291-F316 HydrophobicContact CB-CZ 3.49Å; C291-F316 VanDerWaalsContact CB-CZ 3.49Å; C291-F316 WeakPolarHBondContact O-CE1 3.32Å; C291-F316 WeakPolarHBondContact O-CZ 3.35Å; C291-C318 HydrophobicContact CB-CB 3.49Å; C291-C318 VanDerWaalsContact CB-CB 3.49Å; C291-C318 WeakPolarHBondContact CB-SG 3.31Å; C291-C318 PolarHBondContact N-SG 3.31Å; C291-C318 VanDerWaalsContact SG-CA 3.53Å; C291-C318 WeakPolarHBondContact SG-CB 3.49Å; C291-C318 CovalentContact SG-SG 2.03Å; C291-C318 PolarHBondContact SG-SG 3.26Å
292V96.7Very high95Very high4 Ų467.8 Ų67.82%0.02432%0.318CS..EExtended strand (participates in β ladder)trans-124.7132.1-179.5-174.10000108F264 I271 G272 M274 R299 K300 I301F264-V292 HydrophobicContact CD1-CG2 3.97Å; F264-V292 HydrophobicContact CE1-CG2 3.73Å; I271-V292 CarbonylContact C-O 3.53Å; I271-V292 WeakPolarHBondContact CA-O 3.46Å; G272-V292 PolarHBondContact N-O 2.77Å; G272-V292 PolarHBondContact O-N 2.73Å; M274-V292 HydrophobicContact CG-CG2 3.74Å; M274-V292 HydrophobicContact SD-CG2 4.42Å; V292-R299 HydrophobicContact CG1-CG 3.88Å; V292-K300 WeakPolarHBondContact CA-O 3.39Å; V292-I301 HydrophobicContact CG1-CG1 4.26Å; V292-I301 HydrophobicContact CG2-CG1 4.27Å; V292-I301 HydrophobicContact CG2-CG2 4.5Å
293V95.3Very high95.1Very high0 Ų059.2 Ų59.20%029%0.292CS..EExtended strand (participates in β ladder)trans-118138.4168.661.90000109.1I271 E295 R299 K300 Y310 F316I271-V293 HydrophobicContact CD1-CB 3.96Å; I271-V293 HydrophobicContact CD1-CG2 3.94Å; V293-E295 HydrophobicContact CG2-CG 4.17Å; V293-R299 WeakPolarHBondContact O-CA 3.43Å; V293-K300 HydrophobicContact CG1-CB 3.85Å; V293-K300 PolarHBondContact N-O 2.8Å; V293-K300 PolarHBondContact O-N 3.33Å; V293-Y310 HydrophobicContact CG1-CD2 3.69Å; V293-Y310 HydrophobicContact CG1-CE2 3.5Å; V293-Y310 HydrophobicContact CG1-CG 4.41Å; V293-F316 HydrophobicContact CB-CD1 4.49Å; V293-F316 HydrophobicContact CB-CD2 4.1Å; V293-F316 HydrophobicContact CB-CE1 4.29Å; V293-F316 HydrophobicContact CB-CE2 3.94Å; V293-F316 HydrophobicContact CB-CG 4.38Å; V293-F316 HydrophobicContact CB-CZ 4.01Å; V293-F316 HydrophobicContact CG1-CB 4.33Å; V293-F316 HydrophobicContact CG1-CD1 3.66Å; V293-F316 HydrophobicContact CG1-CD2 3.93Å; V293-F316 HydrophobicContact CG1-CE1 3.8Å; V293-F316 HydrophobicContact CG1-CE2 4.12Å; V293-F316 HydrophobicContact CG1-CG 3.71Å; V293-F316 HydrophobicContact CG1-CZ 4.03Å
294N91.1Very high95.1Very high98 Ų9856 Ų5652%0.52428%0.279SS..EExtended strand (participates in β ladder)trans-13188.3175.8-166.617000109.8I270I270-N294 PolarHBondContact O-N 3.3Å
295E89.5Confident95Very high60 Ų6056.7 Ų56.728%0.2829%0.288SS..EExtended strand (participates in β ladder)trans-120.4-166.9173.6-74.6-152.4141.500110.8I270 V293 F297 G298 Y310 K314 L330I270-E295 HydrophobicContact CB-CG 4.27Å; I270-E295 HydrophobicContact CD1-CG 4.2Å; I270-E295 WeakPolarHBondContact CD1-OE1 3.26Å; I270-E295 HydrophobicContact CG2-CG 4.34Å; V293-E295 HydrophobicContact CG2-CG 4.17Å; E295-F297 PolarHBondContact O-N 2.87Å; E295-F297 VanDerWaalsContact O-N 3.07Å; E295-G298 PolarHBondContact O-N 2.76Å; E295-Y310 WeakPolarHBondContact CA-OH 3.38Å; E295-Y310 HydrophobicContact CB-CE1 3.89Å; E295-Y310 VanDerWaalsContact CB-OH 3.31Å; E295-Y310 WeakPolarHBondContact CB-OH 3.46Å; E295-Y310 PolarHBondContact N-OH 2.87Å; E295-Y310 PolarHBondContact O-OH 2.79Å; E295-K314 IonicContact OE2-NZ 3.27Å; E295-K314 PolarHBondContact OE2-NZ 2.86Å; E295-K314 VanDerWaalsContact OE2-NZ 3.13Å; E295-L330 WeakPolarHBondContact OE2-CD2 3.25Å
296K87.6Confident95.1Very high208 Ų20854.8 Ų54.890%0.90428%0.275SS*.THydrogen-bonded Turntrans-51-31.2-176.6-61.4-177.6-179.4-178.50114.7G298K296-G298 PolarHBondContact O-N 3.39Å
297F87Confident95.1Very high126 Ų12651.4 Ų51.455%0.55326%0.259SS*.THydrogen-bonded Turntrans-8611.2179.3-59.9-69.6000113.2E295 Y310E295-F297 PolarHBondContact O-N 2.87Å; E295-F297 VanDerWaalsContact O-N 3.07Å; F297-Y310 HydrophobicContact CB-CE1 3.99Å; F297-Y310 HydrophobicContact CB-CE2 4.4Å; F297-Y310 HydrophobicContact CD2-CD1 4.08Å; F297-Y310 AromaticContact CD2-CE1 3.8Å; F297-Y310 HydrophobicContact CD2-CE1 3.8Å; F297-Y310 HydrophobicContact CG-CE1 4.4Å
298G90.6Very high95.2Very high31 Ų3148.3 Ų48.332%0.3225%0.245SC..EExtended strand (participates in β ladder)trans87.5-172-18000000113.4E295 K296 Y310E295-G298 PolarHBondContact O-N 2.76Å; K296-G298 PolarHBondContact O-N 3.39Å; G298-Y310 WeakPolarHBondContact O-CE2 2.98Å; G298-Y310 PolarHBondContact O-OH 2.86Å
299R93.8Very high95.2Very high129 Ų12949 Ų4949%0.48725%0.251SS..EExtended strand (participates in β ladder)trans-82.1125.9-177-169-174.5-158.317413.8111.1F264 V292 V293 I301F264-R299 VanDerWaalsContact CZ-NH1 3.25Å; V292-R299 HydrophobicContact CG1-CG 3.88Å; V293-R299 WeakPolarHBondContact O-CA 3.43Å; R299-I301 HydrophobicContact CG-CG1 4.5Å
300K95.6Very high95.1Very high79 Ų7948.5 Ų48.534%0.34325%0.247SC..EExtended strand (participates in β ladder)trans-121.3140.7169.3-169.376171.4-172.20109.8V292 V293 T308 Y310 F316V292-K300 WeakPolarHBondContact CA-O 3.39Å; V293-K300 HydrophobicContact CG1-CB 3.85Å; V293-K300 PolarHBondContact N-O 2.8Å; V293-K300 PolarHBondContact O-N 3.33Å; K300-T308 HydrophobicContact CD-CG2 4.22Å; K300-T308 WeakPolarHBondContact CE-OG1 3.39Å; K300-T308 HydrophobicContact CG-CG2 3.83Å; K300-Y310 HydrophobicContact CB-CD2 3.65Å; K300-Y310 HydrophobicContact CB-CE2 3.72Å; K300-Y310 HydrophobicContact CG-CD2 4.23Å; K300-F316 HydrophobicContact CB-CD1 4.33Å; K300-F316 HydrophobicContact CG-CD1 4.1Å
301I96.7Very high94.9Very high67 Ų6749.1 Ų49.134%0.34426%0.26SS..EExtended strand (participates in β ladder)trans-123.8131.5-180-55.5175.8000106.8F264 M274 H290 C291 V292 R299F264-I301 HydrophobicContact CE1-CD1 4.1Å; F264-I301 HydrophobicContact CZ-CD1 3.95Å; M274-I301 HydrophobicContact SD-CD1 4.02Å; M274-I301 HydrophobicContact SD-CG2 3.59Å; M274-I301 VanDerWaalsContact SD-CG2 3.59Å; H290-I301 HydrophobicContact CB-CG2 3.6Å; C291-I301 WeakPolarHBondContact O-CA 3.46Å; V292-I301 HydrophobicContact CG1-CG1 4.26Å; V292-I301 HydrophobicContact CG2-CG1 4.27Å; V292-I301 HydrophobicContact CG2-CG2 4.5Å; R299-I301 HydrophobicContact CG-CG1 4.5Å
302T97.5Very high94.6Very high3 Ų353.9 Ų53.92%0.01830%0.3CS..EExtended strand (participates in β ladder)trans-135.4134.7177.1-163.40000110.6H290 C291 C306 F316 C318H290-T302 VanDerWaalsContact CA-O 3.28Å; H290-T302 WeakPolarHBondContact CA-O 3.33Å; H290-T302 WeakPolarHBondContact CB-O 3.47Å; C291-T302 PolarHBondContact N-O 2.94Å; C291-T302 PolarHBondContact O-N 3.12Å; T302-C306 VanDerWaalsContact OG1-CB 3.3Å; T302-C306 WeakPolarHBondContact OG1-CB 3.4Å; T302-F316 HydrophobicContact CG2-CD1 3.66Å; T302-F316 HydrophobicContact CG2-CE1 3.45Å; T302-F316 VanDerWaalsContact CG2-CE1 3.45Å; T302-F316 HydrophobicContact CG2-CG 4.39Å; T302-F316 HydrophobicContact CG2-CZ 4Å; T302-C318 HydrophobicContact CG2-CB 3.46Å; T302-C318 VanDerWaalsContact CG2-CB 3.46Å
303P98.2Very high94.5Very high47 Ų4757.4 Ų57.431%0.30532%0.318SS..EExtended strand (participates in β ladder)trans-61.4156.2178.5-2029.9000112.6S289 H290 G305 C306S289-P303 WeakPolarHBondContact O-CA 3.08Å; H290-P303 VanDerWaalsContact CD2-CA 3.48Å; H290-P303 WeakPolarHBondContact CD2-CA 3.45Å; P303-G305 PolarHBondContact O-N 2.98Å; P303-C306 HydrophobicContact CB-CB 4.42Å; P303-C306 VanDerWaalsContact O-CB 3.29Å; P303-C306 WeakPolarHBondContact O-CB 3.28Å; P303-C306 PolarHBondContact O-N 2.84Å
304V98Very high94.6Very high40 Ų4059.6 Ų59.624%0.24233%0.328CS..THydrogen-bonded Turntrans-58.8132.5169.3178.20000110.3I288 S289 R320 V326I288-V304 HydrophobicContact CG2-CG2 4.17Å; I288-V304 VanDerWaalsContact O-CG2 3.31Å; I288-V304 WeakPolarHBondContact O-CG2 3.02Å; S289-V304 PolarHBondContact O-N 2.9Å; V304-R320 HydrophobicContact CG1-CB 4.14Å; V304-V326 HydrophobicContact CG1-CG2 4.19Å; V304-V326 HydrophobicContact CG2-CG1 3.74Å; V304-V326 HydrophobicContact CG2-CG2 4Å
305G97.8Very high94.9Very high28 Ų2854.9 Ų54.929%0.28930%0.303SS..THydrogen-bonded Turntrans89.9-3.5-174.100000114.2P303 C318 V348 R349P303-G305 PolarHBondContact O-N 2.98Å; G305-C318 PolarHBondContact N-O 3.16Å; G305-V348 WeakPolarHBondContact O-CB 3.3Å; G305-R349 WeakPolarHBondContact O-CG 3.36Å; G305-R349 PolarHBondContact O-N 3.13Å
306C98.4Very high95.3Very high2 Ų252 Ų521%0.01429%0.289CS..EExtended strand (participates in β ladder)trans-106.8154.8-179.7-73.90000113.1T302 P303 C318 R349 C351T302-C306 VanDerWaalsContact OG1-CB 3.3Å; T302-C306 WeakPolarHBondContact OG1-CB 3.4Å; P303-C306 HydrophobicContact CB-CB 4.42Å; P303-C306 VanDerWaalsContact O-CB 3.29Å; P303-C306 WeakPolarHBondContact O-CB 3.28Å; P303-C306 PolarHBondContact O-N 2.84Å; C306-C318 PolarHBondContact O-N 2.95Å; C306-R349 CarbonylContact C-O 3.45Å; C306-R349 VanDerWaalsContact CA-O 3.32Å; C306-R349 WeakPolarHBondContact CA-O 3.24Å; C306-C351 HydrophobicContact CB-CB 3.51Å; C306-C351 WeakPolarHBondContact CB-SG 3.44Å; C306-C351 WeakPolarHBondContact SG-CB 3.43Å; C306-C351 CovalentContact SG-SG 2.04Å; C306-C351 PolarHBondContact SG-SG 2.77Å
307G98.2Very high95.8Very high0 Ų042.2 Ų42.20%025%0.247CC..EExtended strand (participates in β ladder)trans-135.4149.2165.200000110.9F316 R349 F350 C351G307-F316 CarbonylContact C-O 3.47Å; G307-F316 VanDerWaalsContact CA-O 3.24Å; G307-F316 WeakPolarHBondContact CA-O 3.21Å; G307-R349 PolarHBondContact N-O 3.43Å; G307-F350 WeakPolarHBondContact O-CA 3.21Å; G307-C351 PolarHBondContact O-N 2.76Å
308T97.4Very high96.3Very high8 Ų836.2 Ų36.25%0.04922%0.22CC..EExtended strand (participates in β ladder)trans-144.8163.5-174.1-161.70000110.2K300 I315 F316 C351K300-T308 HydrophobicContact CD-CG2 4.22Å; K300-T308 WeakPolarHBondContact CE-OG1 3.39Å; K300-T308 HydrophobicContact CG-CG2 3.83Å; T308-I315 CarbonylContact O-C 3.53Å; T308-I315 WeakPolarHBondContact O-CA 3.23Å; T308-F316 HydrophobicContact CG2-CB 4.2Å; T308-F316 HydrophobicContact CG2-CD1 4.25Å; T308-F316 PolarHBondContact N-O 2.98Å; T308-F316 PolarHBondContact O-N 3.32Å; T308-C351 WeakPolarHBondContact CA-OXT 3.44Å; T308-C351 WeakPolarHBondContact CB-OXT 3.42Å; T308-C351 PolarHBondContact OG1-OXT 3.41Å
309T96.7Very high96.6Very high57 Ų5737.4 Ų37.435%0.3522%0.217SC..EExtended strand (participates in β ladder)trans-71.9146.5173.6500000111.4P339T309-P339 HydrophobicContact CG2-CB 3.59Å; T309-P339 HydrophobicContact CG2-CG 3.9Å
310Y95.6Very high96.7Very high7 Ų737.5 Ų37.53%0.02722%0.217CC..EExtended strand (participates in β ladder)trans-137.493.8175.5-168.6-95000109.9V293 E295 F297 G298 K300 K314 L330V293-Y310 HydrophobicContact CG1-CD2 3.69Å; V293-Y310 HydrophobicContact CG1-CE2 3.5Å; V293-Y310 HydrophobicContact CG1-CG 4.41Å; E295-Y310 WeakPolarHBondContact CA-OH 3.38Å; E295-Y310 HydrophobicContact CB-CE1 3.89Å; E295-Y310 VanDerWaalsContact CB-OH 3.31Å; E295-Y310 WeakPolarHBondContact CB-OH 3.46Å; E295-Y310 PolarHBondContact N-OH 2.87Å; E295-Y310 PolarHBondContact O-OH 2.79Å; F297-Y310 HydrophobicContact CB-CE1 3.99Å; F297-Y310 HydrophobicContact CB-CE2 4.4Å; F297-Y310 HydrophobicContact CD2-CD1 4.08Å; F297-Y310 AromaticContact CD2-CE1 3.8Å; F297-Y310 HydrophobicContact CD2-CE1 3.8Å; F297-Y310 HydrophobicContact CG-CE1 4.4Å; G298-Y310 WeakPolarHBondContact O-CE2 2.98Å; G298-Y310 PolarHBondContact O-OH 2.86Å; K300-Y310 HydrophobicContact CB-CD2 3.65Å; K300-Y310 HydrophobicContact CB-CE2 3.72Å; K300-Y310 HydrophobicContact CG-CD2 4.23Å; Y310-K314 PolarHBondContact N-O 2.71Å; Y310-K314 WeakPolarHBondContact O-CB 3.46Å; Y310-L330 HydrophobicContact CD1-CD1 3.58Å; Y310-L330 HydrophobicContact CD1-CD2 4.44Å; Y310-L330 HydrophobicContact CE1-CD1 4.33Å; Y310-L330 HydrophobicContact CG-CD1 3.84Å
311G93.6Very high96.7Very high38 Ų3835.7 Ų35.739%0.39221%0.213SC..THydrogen-bonded Turntrans76.1-163.6-168.100000112.3
312A92Very high96.6Very high100 Ų10044.7 Ų44.783%0.82624%0.243SC*.THydrogen-bonded Turntrans-84.3-25.6-175.400000113.5
313D94.8Very high96.4Very high77 Ų7751 Ų5141%0.41228%0.276SS..THydrogen-bonded Turntrans-125.93-166.467.6-35.9000113.7T332 I333D313-T332 CarbonylContact O-C 3.54Å; D313-T332 WeakPolarHBondContact O-CA 3.43Å; D313-I333 PolarHBondContact O-N 3.35Å
314K96.5Very high96.2Very high46 Ų4650.4 Ų50.420%0.228%0.278CS..EExtended strand (participates in β ladder)trans-129.1155.3178.3-47.8-176.5-171.7178.80113E295 Y310 L330 V331E295-K314 IonicContact OE2-NZ 3.27Å; E295-K314 PolarHBondContact OE2-NZ 2.86Å; E295-K314 VanDerWaalsContact OE2-NZ 3.13Å; Y310-K314 PolarHBondContact N-O 2.71Å; Y310-K314 WeakPolarHBondContact O-CB 3.46Å; K314-L330 HydrophobicContact CB-CD1 4.24Å; K314-L330 HydrophobicContact CB-CG 4.35Å; K314-L330 HydrophobicContact CD-CD1 4.26Å; K314-L330 HydrophobicContact CD-CD2 3.56Å; K314-L330 HydrophobicContact CD-CG 3.76Å; K314-V331 CarbonylContact C-O 3.58Å; K314-V331 WeakPolarHBondContact CA-O 3.5Å; K314-V331 WeakPolarHBondContact CB-O 3.22Å
315I96.9Very high96Very high0 Ų056.7 Ų56.70%030%0.299CS..EExtended strand (participates in β ladder)trans-113.9148.1165.659.7166.6000109.5T308 T317 L330 V331 I333 P339 A342 I343 E346T308-I315 CarbonylContact O-C 3.53Å; T308-I315 WeakPolarHBondContact O-CA 3.23Å; I315-T317 HydrophobicContact CD1-CG2 3.95Å; I315-T317 HydrophobicContact CG1-CG2 4.44Å; I315-L330 WeakPolarHBondContact O-CA 3.14Å; I315-V331 HydrophobicContact CD1-CB 4.22Å; I315-V331 HydrophobicContact CG1-CB 3.81Å; I315-V331 PolarHBondContact N-O 3.48Å; I315-V331 PolarHBondContact O-N 2.86Å; I315-I333 HydrophobicContact CG2-CD1 3.87Å; I315-I333 HydrophobicContact CG2-CG1 3.87Å; I315-P339 HydrophobicContact CG2-CB 4.14Å; I315-A342 VanDerWaalsContact CD1-C 3.44Å; I315-A342 HydrophobicContact CD1-CB 3.66Å; I315-A342 HydrophobicContact CG1-CB 4.41Å; I315-A342 HydrophobicContact CG2-CB 4.33Å; I315-I343 HydrophobicContact CB-CD1 4.3Å; I315-I343 HydrophobicContact CB-CG1 3.94Å; I315-I343 HydrophobicContact CD1-CB 4.46Å; I315-I343 HydrophobicContact CD1-CG1 3.71Å; I315-I343 HydrophobicContact CG1-CG1 4.43Å; I315-I343 HydrophobicContact CG2-CD1 3.99Å; I315-I343 HydrophobicContact CG2-CG1 3.89Å; I315-E346 HydrophobicContact CD1-CG 4.26Å
316F97.6Very high96Very high0 Ų056.1 Ų56.10%029%0.29CS..EExtended strand (participates in β ladder)trans-112.5121.7171.8174.6-134.2000109.4I271 C291 V293 K300 T302 G307 T308 G329 L330I271-F316 HydrophobicContact CD1-CE2 3.99Å; C291-F316 VanDerWaalsContact C-CZ 3.48Å; C291-F316 HydrophobicContact CB-CE1 4.39Å; C291-F316 HydrophobicContact CB-CE2 4.06Å; C291-F316 HydrophobicContact CB-CZ 3.49Å; C291-F316 VanDerWaalsContact CB-CZ 3.49Å; C291-F316 WeakPolarHBondContact O-CE1 3.32Å; C291-F316 WeakPolarHBondContact O-CZ 3.35Å; V293-F316 HydrophobicContact CB-CD1 4.49Å; V293-F316 HydrophobicContact CB-CD2 4.1Å; V293-F316 HydrophobicContact CB-CE1 4.29Å; V293-F316 HydrophobicContact CB-CE2 3.94Å; V293-F316 HydrophobicContact CB-CG 4.38Å; V293-F316 HydrophobicContact CB-CZ 4.01Å; V293-F316 HydrophobicContact CG1-CB 4.33Å; V293-F316 HydrophobicContact CG1-CD1 3.66Å; V293-F316 HydrophobicContact CG1-CD2 3.93Å; V293-F316 HydrophobicContact CG1-CE1 3.8Å; V293-F316 HydrophobicContact CG1-CE2 4.12Å; V293-F316 HydrophobicContact CG1-CG 3.71Å; V293-F316 HydrophobicContact CG1-CZ 4.03Å; K300-F316 HydrophobicContact CB-CD1 4.33Å; K300-F316 HydrophobicContact CG-CD1 4.1Å; T302-F316 HydrophobicContact CG2-CD1 3.66Å; T302-F316 HydrophobicContact CG2-CE1 3.45Å; T302-F316 VanDerWaalsContact CG2-CE1 3.45Å; T302-F316 HydrophobicContact CG2-CG 4.39Å; T302-F316 HydrophobicContact CG2-CZ 4Å; G307-F316 CarbonylContact C-O 3.47Å; G307-F316 VanDerWaalsContact CA-O 3.24Å; G307-F316 WeakPolarHBondContact CA-O 3.21Å; T308-F316 HydrophobicContact CG2-CB 4.2Å; T308-F316 HydrophobicContact CG2-CD1 4.25Å; T308-F316 PolarHBondContact N-O 2.98Å; T308-F316 PolarHBondContact O-N 3.32Å; F316-G329 WeakPolarHBondContact CA-O 3.37Å; F316-G329 WeakPolarHBondContact CD2-O 2.83Å; F316-L330 HydrophobicContact CB-CD1 4.17Å
317T98Very high95.8Very high1 Ų160.8 Ų60.81%0.00631%0.311CS..EExtended strand (participates in β ladder)trans-118.9148.6-178.360.60000111.2I315 G328 G329 E346 V348I315-T317 HydrophobicContact CD1-CG2 3.95Å; I315-T317 HydrophobicContact CG1-CG2 4.44Å; T317-G328 CarbonylContact O-C 3.48Å; T317-G328 VanDerWaalsContact O-CA 3.29Å; T317-G328 WeakPolarHBondContact O-CA 3.18Å; T317-G329 PolarHBondContact N-O 2.98Å; T317-G329 PolarHBondContact O-N 3.07Å; T317-G329 PolarHBondContact OG1-O 2.62Å; T317-E346 HydrophobicContact CG2-CB 3.98Å; T317-E346 HydrophobicContact CG2-CG 4.04Å; T317-V348 HydrophobicContact CG2-CG2 3.8Å
318C98.1Very high95.7Very high0 Ų061.3 Ų61.30%032%0.316CS..EExtended strand (participates in β ladder)trans-131.7103172-169.80000108.7C291 T302 G305 C306C291-C318 HydrophobicContact CB-CB 3.49Å; C291-C318 VanDerWaalsContact CB-CB 3.49Å; C291-C318 WeakPolarHBondContact CB-SG 3.31Å; C291-C318 PolarHBondContact N-SG 3.31Å; C291-C318 VanDerWaalsContact SG-CA 3.53Å; C291-C318 WeakPolarHBondContact SG-CB 3.49Å; C291-C318 CovalentContact SG-SG 2.03Å; C291-C318 PolarHBondContact SG-SG 3.26Å; T302-C318 HydrophobicContact CG2-CB 3.46Å; T302-C318 VanDerWaalsContact CG2-CB 3.46Å; G305-C318 PolarHBondContact N-O 3.16Å; C306-C318 PolarHBondContact O-N 2.95Å
319K97Very high95.6Very high57 Ų5761.7 Ų61.725%0.24832%0.322CS..EExtended strand (participates in β ladder)trans-119.8146.4-172.368.8-173.8178.2-171.50112V326 Q327 E346 V348K319-V326 CarbonylContact O-C 3.58Å; K319-V326 WeakPolarHBondContact O-CA 3.42Å; K319-Q327 PolarHBondContact N-O 2.02Å; K319-Q327 PolarHBondContact O-N 3.1Å; K319-E346 IonicContact NZ-OE2 2.77Å; K319-E346 PolarHBondContact NZ-OE2 3.44Å; K319-V348 HydrophobicContact CB-CG1 3.54Å
320R97.1Very high95.5Very high130 Ų13061 Ų6149%0.49132%0.316SS..EExtended strand (participates in β ladder)trans-90.5123.4168.3-166.9177-72.3-106.415.4108.5E287 V304 G324 Y325E287-R320 IonicContact OE2-NH2 3.86Å; E287-R320 PolarHBondContact OE2-NH2 3.26Å; V304-R320 HydrophobicContact CG1-CB 4.14Å; R320-G324 WeakPolarHBondContact CG-O 3.25Å; R320-G324 PolarHBondContact NH1-O 2.84Å; R320-G324 VanDerWaalsContact NH1-O 3.08Å; R320-Y325 CarbonylContact C-O 3.53Å; R320-Y325 WeakPolarHBondContact CA-O 3.39Å
321T95Very high95.5Very high42 Ų4262.9 Ų62.926%0.25833%0.328SS..  trans-72166.7177.162.50000111D323 G324 Y325 Q327T321-D323 PolarHBondContact O-N 2.94Å; T321-G324 PolarHBondContact O-N 3.4Å; T321-Y325 PolarHBondContact N-O 3.49Å; T321-Y325 WeakPolarHBondContact OG1-CB 2.99Å; T321-Y325 PolarHBondContact OG1-N 3.37Å; T321-Y325 VanDerWaalsContact OG1-N 3.13Å; T321-Y325 PolarHBondContact OG1-O 2.84Å; T321-Q327 HydrophobicContact CG2-CB 4.4Å
322R93.3Very high95.6Very high256 Ų25665.3 Ų65.397%0.96634%0.335SS*.THydrogen-bonded Turntrans-61.3-29.1176.6-68.8-176.9179.7173.2-0.5112.6G324R322-G324 PolarHBondContact O-N 2.88Å
323D94.4Very high95.8Very high136 Ų13661.9 Ų61.973%0.72730%0.303SS*.THydrogen-bonded Turntrans-82.72.7177.4-52.5-40.3000112.7T321 Y325T321-D323 PolarHBondContact O-N 2.94Å; D323-Y325 HydrophobicContact CB-CD2 3.77Å; D323-Y325 HydrophobicContact CB-CE2 3.88Å
324G93.3Very high95.8Very high34 Ų3465.2 Ų65.235%0.35131%0.314SS..SBendtrans90.2-9.6175.600000115.5R320 T321 R322R320-G324 WeakPolarHBondContact CG-O 3.25Å; R320-G324 PolarHBondContact NH1-O 2.84Å; R320-G324 VanDerWaalsContact NH1-O 3.08Å; T321-G324 PolarHBondContact O-N 3.4Å; R322-G324 PolarHBondContact O-N 2.88Å
325Y94.9Very high95.7Very high172 Ų17273.3 Ų73.368%0.67535%0.349SS*.  trans-69.5147.3175.6-59.8-77.3000112.1R320 T321 D323R320-Y325 CarbonylContact C-O 3.53Å; R320-Y325 WeakPolarHBondContact CA-O 3.39Å; T321-Y325 PolarHBondContact N-O 3.49Å; T321-Y325 WeakPolarHBondContact OG1-CB 2.99Å; T321-Y325 PolarHBondContact OG1-N 3.37Å; T321-Y325 VanDerWaalsContact OG1-N 3.13Å; T321-Y325 PolarHBondContact OG1-O 2.84Å; D323-Y325 HydrophobicContact CB-CD2 3.77Å; D323-Y325 HydrophobicContact CB-CE2 3.88Å
326V96.4Very high95.5Very high16 Ų1677.1 Ų77.110%0.09739%0.389CS..EExtended strand (participates in β ladder)trans-96.8131.1172.4177.50000109.8Y273 I288 V304 K319Y273-V326 HydrophobicContact CE1-CG1 4.39Å; I288-V326 HydrophobicContact CB-CB 4.18Å; I288-V326 HydrophobicContact CB-CG1 4.4Å; I288-V326 HydrophobicContact CB-CG2 4.06Å; I288-V326 HydrophobicContact CD1-CB 3.91Å; I288-V326 HydrophobicContact CD1-CG2 4.42Å; I288-V326 HydrophobicContact CG2-CB 4.04Å; I288-V326 HydrophobicContact CG2-CG1 3.73Å; I288-V326 HydrophobicContact CG2-CG2 4.27Å; V304-V326 HydrophobicContact CG1-CG2 4.19Å; V304-V326 HydrophobicContact CG2-CG1 3.74Å; V304-V326 HydrophobicContact CG2-CG2 4Å; K319-V326 CarbonylContact O-C 3.58Å; K319-V326 WeakPolarHBondContact O-CA 3.42Å
327Q95.5Very high95.3Very high100 Ų10083 Ų8347%0.46741%0.411SS..EExtended strand (participates in β ladder)trans-124122.7178.8-173.9179.85.400110.2K319 T321K319-Q327 PolarHBondContact N-O 2.02Å; K319-Q327 PolarHBondContact O-N 3.1Å; T321-Q327 HydrophobicContact CG2-CB 4.4Å
328G96Very high95.2Very high10 Ų1085.1 Ų85.110%0.10343%0.425CS..EExtended strand (participates in β ladder)trans-85.4138.6164.800000110.8T317T317-G328 CarbonylContact O-C 3.48Å; T317-G328 VanDerWaalsContact O-CA 3.29Å; T317-G328 WeakPolarHBondContact O-CA 3.18Å
329G95.3Very high95.1Very high17 Ų1787.3 Ų87.318%0.17544%0.44CS..EExtended strand (participates in β ladder)trans-137.7137.5-178.900000112.2F316 T317F316-G329 WeakPolarHBondContact CA-O 3.37Å; F316-G329 WeakPolarHBondContact CD2-O 2.83Å; T317-G329 PolarHBondContact N-O 2.98Å; T317-G329 PolarHBondContact O-N 3.07Å; T317-G329 PolarHBondContact OG1-O 2.62Å
330L95.3Very high95.1Very high43 Ų4391 Ų9123%0.22546%0.456CS..EExtended strand (participates in β ladder)trans-111.4112.2171.1-166.174.2000108.4I270 E295 Y310 K314 I315 F316I270-L330 HydrophobicContact CD1-CD2 4.38Å; E295-L330 WeakPolarHBondContact OE2-CD2 3.25Å; Y310-L330 HydrophobicContact CD1-CD1 3.58Å; Y310-L330 HydrophobicContact CD1-CD2 4.44Å; Y310-L330 HydrophobicContact CE1-CD1 4.33Å; Y310-L330 HydrophobicContact CG-CD1 3.84Å; K314-L330 HydrophobicContact CB-CD1 4.24Å; K314-L330 HydrophobicContact CB-CG 4.35Å; K314-L330 HydrophobicContact CD-CD1 4.26Å; K314-L330 HydrophobicContact CD-CD2 3.56Å; K314-L330 HydrophobicContact CD-CG 3.76Å; I315-L330 WeakPolarHBondContact O-CA 3.14Å; F316-L330 HydrophobicContact CB-CD1 4.17Å
331V94.9Very high95.1Very high45 Ų4589.6 Ų89.627%0.27346%0.455SS..EExtended strand (participates in β ladder)trans-117.9132.2-171.5-176.10000109.6K314 I315 E346K314-V331 CarbonylContact C-O 3.58Å; K314-V331 WeakPolarHBondContact CA-O 3.5Å; K314-V331 WeakPolarHBondContact CB-O 3.22Å; I315-V331 HydrophobicContact CD1-CB 4.22Å; I315-V331 HydrophobicContact CG1-CB 3.81Å; I315-V331 PolarHBondContact N-O 3.48Å; I315-V331 PolarHBondContact O-N 2.86Å; V331-E346 HydrophobicContact CG2-CG 4.48Å
332T96.3Very high95.1Very high89 Ų8987.9 Ų87.955%0.54645%0.445SS..EExtended strand (participates in β ladder)trans-76.6130.7174.4-53.80000109.8D313 K334D313-T332 CarbonylContact O-C 3.54Å; D313-T332 WeakPolarHBondContact O-CA 3.43Å; T332-K334 PolarHBondContact O-N 2.82Å
333I96.2Very high95.3Very high28 Ų2875.8 Ų75.814%0.14440%0.4CS..PPolyproline II helixtrans-71.4120.1179.2-56.7171.3000108.2D313 I315 R337 P339 A342D313-I333 PolarHBondContact O-N 3.35Å; I315-I333 HydrophobicContact CG2-CD1 3.87Å; I315-I333 HydrophobicContact CG2-CG1 3.87Å; I333-R337 HydrophobicContact CG2-CB 4.32Å; I333-R337 VanDerWaalsContact CG2-O 3.27Å; I333-R337 WeakPolarHBondContact CG2-O 3.49Å; I333-P339 HydrophobicContact CD1-CB 4.09Å; I333-P339 HydrophobicContact CD1-CG 3.89Å; I333-A342 HydrophobicContact CG1-CB 4.47Å
334K94.1Very high95.4Very high148 Ų14872 Ų7264%0.64339%0.387SS*.PPolyproline II helixtrans-63.8139.5175.1-66.8-175.4179.5-177.70109.7T332 G336 R337T332-K334 PolarHBondContact O-N 2.82Å; K334-G336 PolarHBondContact O-N 3.17Å; K334-R337 WeakPolarHBondContact O-CB 3.37Å; K334-R337 PolarHBondContact O-N 3.24Å
335K93.5Very high95.6Very high215 Ų21573.9 Ų73.994%0.93540%0.395SS*.THydrogen-bonded Turntrans-50.4130.5177.6-170.1177.1-178.7-179.70110.7R337K335-R337 VanDerWaalsContact C-N 3.34Å
336G93.8Very high95.6Very high81 Ų8168 Ų6884%0.83537%0.374SS*.THydrogen-bonded Turntrans86-6-179.700000115.4K334K334-G336 PolarHBondContact O-N 3.17Å
337R94.1Very high95.6Very high124 Ų12470.6 Ų70.647%0.46840%0.404SS..  trans-93.5144.3171.1-69-167.6176.2-172.6-4.6111.6I333 K334 K335 E341I333-R337 HydrophobicContact CG2-CB 4.32Å; I333-R337 VanDerWaalsContact CG2-O 3.27Å; I333-R337 WeakPolarHBondContact CG2-O 3.49Å; K334-R337 WeakPolarHBondContact O-CB 3.37Å; K334-R337 PolarHBondContact O-N 3.24Å; K335-R337 VanDerWaalsContact C-N 3.34Å; R337-E341 VanDerWaalsContact CA-OE2 3.28Å; R337-E341 WeakPolarHBondContact CA-OE2 3.17Å
338S95.7Very high95.7Very high44 Ų4466.6 Ų66.631%0.30839%0.386SS..  trans-77.1155.9169.272.30000110.9F340 E341 A342S338-F340 PolarHBondContact O-N 3.4Å; S338-E341 PolarHBondContact N-OE2 2.82Å; S338-E341 PolarHBondContact O-N 2.92Å; S338-E341 WeakPolarHBondContact OG-CG 3.43Å; S338-E341 PolarHBondContact OG-N 2.8Å; S338-E341 VanDerWaalsContact OG-N 3.17Å; S338-A342 PolarHBondContact O-N 3.08Å; S338-A342 VanDerWaalsContact O-N 3.07Å
339P95.8Very high95.7Very high47 Ų4774.6 Ų74.631%0.30541%0.413SS..Hα-helixtrans-55.5-34.2170.6-23.130.4000113.1T309 I315 I333 A342 I343T309-P339 HydrophobicContact CG2-CB 3.59Å; T309-P339 HydrophobicContact CG2-CG 3.9Å; I315-P339 HydrophobicContact CG2-CB 4.14Å; I333-P339 HydrophobicContact CD1-CB 4.09Å; I333-P339 HydrophobicContact CD1-CG 3.89Å; P339-A342 PolarHBondContact O-N 2.83Å; P339-I343 WeakPolarHBondContact O-CB 3.45Å; P339-I343 WeakPolarHBondContact O-CD1 3.3Å; P339-I343 WeakPolarHBondContact O-CG1 3.48Å; P339-I343 PolarHBondContact O-N 3.36Å
340F96.5Very high95.8Very high134 Ų13478.6 Ų78.659%0.58843%0.426SS*.Hα-helixtrans-63.4-48178.1-176.9-90.7000111.7S338 A342 I343 A344 F350S338-F340 PolarHBondContact O-N 3.4Å; F340-A342 VanDerWaalsContact C-N 3.32Å; F340-A342 PolarHBondContact O-N 3.45Å; F340-I343 PolarHBondContact O-N 2.88Å; F340-A344 WeakPolarHBondContact O-CB 2.96Å; F340-A344 PolarHBondContact O-N 2.74Å; F340-F350 HydrophobicContact CD2-CB 4.11Å; F340-F350 HydrophobicContact CD2-CG 4.48Å; F340-F350 HydrophobicContact CE2-CB 4.3Å
341E96.5Very high95.8Very high100 Ų10079.6 Ų79.647%0.46744%0.436SS..Hα-helixtrans-62.1-40.3175.6-71.5166.9172.300112R337 S338 S345R337-E341 VanDerWaalsContact CA-OE2 3.28Å; R337-E341 WeakPolarHBondContact CA-OE2 3.17Å; S338-E341 PolarHBondContact N-OE2 2.82Å; S338-E341 PolarHBondContact O-N 2.92Å; S338-E341 WeakPolarHBondContact OG-CG 3.43Å; S338-E341 PolarHBondContact OG-N 2.8Å; S338-E341 VanDerWaalsContact OG-N 3.17Å; E341-S345 WeakPolarHBondContact O-CB 3.11Å; E341-S345 PolarHBondContact O-N 3.5Å; E341-S345 PolarHBondContact O-OG 2.98Å
342A96.5Very high95.8Very high7 Ų781.4 Ų81.46%0.05844%0.444CS..Hα-helixtrans-63.4-45.1177.600000111.3I315 I333 S338 P339 F340 S345 E346I315-A342 VanDerWaalsContact CD1-C 3.44Å; I315-A342 HydrophobicContact CD1-CB 3.66Å; I315-A342 HydrophobicContact CG1-CB 4.41Å; I315-A342 HydrophobicContact CG2-CB 4.33Å; I333-A342 HydrophobicContact CG1-CB 4.47Å; S338-A342 PolarHBondContact O-N 3.08Å; S338-A342 VanDerWaalsContact O-N 3.07Å; P339-A342 PolarHBondContact O-N 2.83Å; F340-A342 VanDerWaalsContact C-N 3.32Å; F340-A342 PolarHBondContact O-N 3.45Å; A342-S345 PolarHBondContact O-N 3.05Å; A342-S345 PolarHBondContact O-OG 3.38Å; A342-E346 PolarHBondContact O-N 3.1Å
343I97.3Very high95.8Very high1 Ų180.9 Ų80.91%0.00544%0.439CS..Hα-helixtrans-65.4-44.6177.5-75.2163.5000111.2I315 P339 F340 S345 E346 V348 F350I315-I343 HydrophobicContact CB-CD1 4.3Å; I315-I343 HydrophobicContact CB-CG1 3.94Å; I315-I343 HydrophobicContact CD1-CB 4.46Å; I315-I343 HydrophobicContact CD1-CG1 3.71Å; I315-I343 HydrophobicContact CG1-CG1 4.43Å; I315-I343 HydrophobicContact CG2-CD1 3.99Å; I315-I343 HydrophobicContact CG2-CG1 3.89Å; P339-I343 WeakPolarHBondContact O-CB 3.45Å; P339-I343 WeakPolarHBondContact O-CD1 3.3Å; P339-I343 WeakPolarHBondContact O-CG1 3.48Å; P339-I343 PolarHBondContact O-N 3.36Å; F340-I343 PolarHBondContact O-N 2.88Å; I343-S345 VanDerWaalsContact C-N 3.27Å; I343-S345 PolarHBondContact O-N 2.78Å; I343-E346 WeakPolarHBondContact O-CB 3.5Å; I343-E346 PolarHBondContact O-N 2.8Å; I343-V348 HydrophobicContact CG2-CG2 3.9Å; I343-F350 HydrophobicContact CD1-CD2 3.36Å; I343-F350 HydrophobicContact CD1-CE2 3.62Å; I343-F350 HydrophobicContact CD1-CG 4.48Å; I343-F350 HydrophobicContact CG2-CB 4.48Å
344A96.3Very high95.8Very high56 Ų5683.9 Ų83.946%0.46346%0.455SS..Hα-helixtrans-60.7-37.8176.100000111.8F340 E346 G347F340-A344 WeakPolarHBondContact O-CB 2.96Å; F340-A344 PolarHBondContact O-N 2.74Å; A344-E346 PolarHBondContact O-N 3.22Å; A344-G347 PolarHBondContact O-N 3.22Å
345S96.4Very high95.8Very high74 Ų7480.1 Ų80.152%0.51744%0.444SS..Hα-helixtrans-66.2-19.7176.674.90000114E341 A342 I343 G347E341-S345 WeakPolarHBondContact O-CB 3.11Å; E341-S345 PolarHBondContact O-N 3.5Å; E341-S345 PolarHBondContact O-OG 2.98Å; A342-S345 PolarHBondContact O-N 3.05Å; A342-S345 PolarHBondContact O-OG 3.38Å; I343-S345 VanDerWaalsContact C-N 3.27Å; I343-S345 PolarHBondContact O-N 2.78Å; S345-G347 VanDerWaalsContact C-N 3.32Å
346E95.8Very high96Very high49 Ų4971.7 Ų71.723%0.22941%0.414CS..THydrogen-bonded Turntrans-86.5-0.9173.3-69.6-61.9144.700113.3I315 T317 K319 V331 A342 I343 A344 V348I315-E346 HydrophobicContact CD1-CG 4.26Å; T317-E346 HydrophobicContact CG2-CB 3.98Å; T317-E346 HydrophobicContact CG2-CG 4.04Å; K319-E346 IonicContact NZ-OE2 2.77Å; K319-E346 PolarHBondContact NZ-OE2 3.44Å; V331-E346 HydrophobicContact CG2-CG 4.48Å; A342-E346 PolarHBondContact O-N 3.1Å; I343-E346 WeakPolarHBondContact O-CB 3.5Å; I343-E346 PolarHBondContact O-N 2.8Å; A344-E346 PolarHBondContact O-N 3.22Å; E346-V348 HydrophobicContact CB-CG2 4.1Å
347G95.9Very high96.1Very high71 Ų7171.1 Ų71.173%0.73239%0.386SS*.THydrogen-bonded Turntrans73.427.6178.100000114A344 S345A344-G347 PolarHBondContact O-N 3.22Å; S345-G347 VanDerWaalsContact C-N 3.32Å
348V97.3Very high96.3Very high15 Ų1567.3 Ų67.39%0.09138%0.38CS..  trans-125.6159.7177.5-72.50000111G305 T317 K319 I343 E346G305-V348 WeakPolarHBondContact O-CB 3.3Å; T317-V348 HydrophobicContact CG2-CG2 3.8Å; K319-V348 HydrophobicContact CB-CG1 3.54Å; I343-V348 HydrophobicContact CG2-CG2 3.9Å; E346-V348 HydrophobicContact CB-CG2 4.1Å
349R96.9Very high96.3Very high178 Ų17869.1 Ų69.167%0.67239%0.385SS*.EExtended strand (participates in β ladder)trans-85.9150.717757.4169.3-162.21627.8111.5G305 C306 G307 C351G305-R349 WeakPolarHBondContact O-CG 3.36Å; G305-R349 PolarHBondContact O-N 3.13Å; C306-R349 CarbonylContact C-O 3.45Å; C306-R349 VanDerWaalsContact CA-O 3.32Å; C306-R349 WeakPolarHBondContact CA-O 3.24Å; G307-R349 PolarHBondContact N-O 3.43Å; R349-C351 PolarHBondContact O-N 3.45Å
350F96.5Very high96.4Very high101 Ų10170.9 Ų70.944%0.44339%0.392SS..EExtended strand (participates in β ladder)trans-70.2128171.8-167.8-86.1000110.6G307 F340 I343G307-F350 WeakPolarHBondContact O-CA 3.21Å; F340-F350 HydrophobicContact CD2-CB 4.11Å; F340-F350 HydrophobicContact CD2-CG 4.48Å; F340-F350 HydrophobicContact CE2-CB 4.3Å; I343-F350 HydrophobicContact CD1-CD2 3.36Å; I343-F350 HydrophobicContact CD1-CE2 3.62Å; I343-F350 HydrophobicContact CD1-CG 4.48Å; I343-F350 HydrophobicContact CG2-CB 4.48Å
351C94.9Very high96.4Very high65 Ų6565.2 Ų65.244%0.43937%0.374SS..  trans-138.90172.9-46.10000107.9C306 G307 T308 R349C306-C351 HydrophobicContact CB-CB 3.51Å; C306-C351 WeakPolarHBondContact CB-SG 3.44Å; C306-C351 WeakPolarHBondContact SG-CB 3.43Å; C306-C351 CovalentContact SG-SG 2.04Å; C306-C351 PolarHBondContact SG-SG 2.77Å; G307-C351 PolarHBondContact O-N 2.76Å; T308-C351 WeakPolarHBondContact CA-OXT 3.44Å; T308-C351 WeakPolarHBondContact CB-OXT 3.42Å; T308-C351 PolarHBondContact OG1-OXT 3.41Å; R349-C351 PolarHBondContact O-N 3.45Å

Retrieved 351 of 351 residues in 169.6 ms (Link to these results)