A0A077Z4C9_TRITR Loading...

AMP-binding enzyme family protein

AlphaFold DB , UniProt , Accession A0A077Z4C9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 513 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
1M38.7Very low38.3Very low251 Ų251158.4 Ų158.4100%1.23685%0.848SS**  0870-74-177.9178.300108.4
2S35.5Very low38.5Very low116 Ų116160.9 Ų160.981%0.81185%0.846SS**  trans-84.9111.917442.30000108.5L4S2-L4 PolarHBondContact O-N 2.69Å
3A37.6Very low38.4Very low94 Ų94155.7 Ų155.778%0.77784%0.84SS**  trans-62.8117.5179.200000110.2L5A3-L5 PolarHBondContact O-N 3.08Å; A3-L5 VanDerWaalsContact O-N 3.11Å
4L37.4Very low39Very low160 Ų160152 Ų15284%0.83883%0.825SS**  trans-64.1106.7170.9-11189.3000109.1S2 V6S2-L4 PolarHBondContact O-N 2.69Å; L4-V6 PolarHBondContact O-N 2.82Å; L4-V6 VanDerWaalsContact O-N 3.08Å
5L35.1Very low38.9Very low162 Ų162149.9 Ų149.985%0.84882%0.818SS**  trans-74.292.1167.7-112.6123.4000108.8A3 V7A3-L5 PolarHBondContact O-N 3.08Å; A3-L5 VanDerWaalsContact O-N 3.11Å; L5-V7 PolarHBondContact O-N 2.8Å; L5-V7 VanDerWaalsContact O-N 3.1Å
6V37.6Very low39.2Very low114 Ų114147.4 Ų147.469%0.69181%0.809SS**  trans-74.897.5170.1-179.80000108.2L4 K8L4-V6 PolarHBondContact O-N 2.82Å; L4-V6 VanDerWaalsContact O-N 3.08Å; V6-K8 PolarHBondContact O-N 2.98Å
7V38.7Very low39Very low115 Ų115145.4 Ų145.470%0.69780%0.802SS**  trans-66.9101.1172.3179.70000108.5L5 R9L5-V7 PolarHBondContact O-N 2.8Å; L5-V7 VanDerWaalsContact O-N 3.1Å; V7-R9 PolarHBondContact O-N 3.17Å
8K38.7Very low39.2Very low197 Ų197144.8 Ų144.886%0.85780%0.796SS**  trans-61100.3169.6-82-177.9175.2178.10109.1V6 S10V6-K8 PolarHBondContact O-N 2.98Å; K8-S10 PolarHBondContact O-N 3.46Å
9R42.6Very low39.3Very low236 Ų236148.2 Ų148.289%0.89180%0.796SS**  trans-68.1110.1167.7-78.6-176.2172.5-179.5-1.1108.7V7 M11V7-R9 PolarHBondContact O-N 3.17Å; R9-M11 PolarHBondContact O-N 3.41Å; R9-M11 VanDerWaalsContact O-N 3.11Å
10S39.8Very low39.5Very low106 Ų106151.6 Ų151.674%0.74180%0.803SS**  trans-69.5102.8169.564.40000109.2K8 K12K8-S10 PolarHBondContact O-N 3.46Å; S10-K12 PolarHBondContact O-N 2.91Å; S10-K12 VanDerWaalsContact O-N 3.17Å
11M40Very low40Very low191 Ų191150.4 Ų150.494%0.94179%0.793SS**  trans-66.5109.2162.2-94.7-176.5159.900107.8R9 A13R9-M11 PolarHBondContact O-N 3.41Å; R9-M11 VanDerWaalsContact O-N 3.11Å; M11-A13 PolarHBondContact O-N 3.29Å; M11-A13 VanDerWaalsContact O-N 3.08Å
12K40.1Very low40.6Very low189 Ų189142.2 Ų142.282%0.82276%0.76SS**  trans-69.4101.2164.2-77.3-174.5176.3-178.70107.4S10 V14S10-K12 PolarHBondContact O-N 2.91Å; S10-K12 VanDerWaalsContact O-N 3.17Å; K12-V14 PolarHBondContact O-N 3.35Å
13A37.8Very low42.3Very low93 Ų93143.3 Ų143.377%0.76976%0.757SS**  trans-66.3115.4166.400000108.1M11M11-A13 PolarHBondContact O-N 3.29Å; M11-A13 VanDerWaalsContact O-N 3.08Å
14V46.8Very low44.8Very low104 Ų104145.2 Ų145.263%0.6375%0.751SS**  trans-93.3113170.6178.30000107.1K12 V16K12-V14 PolarHBondContact O-N 3.35Å; V14-V16 PolarHBondContact O-N 2.88Å
15V37.3Very low47.5Very low120 Ų120139.8 Ų139.873%0.72773%0.73SS**  trans-76.3110.2173.2-179.40000108V17V15-V17 HydrophobicContact CG1-CG2 3.84Å; V15-V17 PolarHBondContact O-N 3.45Å
16V43.3Very low50.4Low111 Ų111133.9 Ų133.967%0.67370%0.702SS**  trans-81.2100.4166.9-179.10000107.3V14 L18V14-V16 PolarHBondContact O-N 2.88Å; V16-L18 HydrophobicContact CG1-CD2 4.3Å; V16-L18 PolarHBondContact O-N 3.18Å
17V36.4Very low53.2Low112 Ų112131 Ų13168%0.67969%0.687SS**  trans-77.2100175.4-177.70000108.6V15 R19V15-V17 HydrophobicContact CG1-CG2 3.84Å; V15-V17 PolarHBondContact O-N 3.45Å; V17-R19 PolarHBondContact O-N 2.88Å
18L42.2Very low56Low135 Ų135128.6 Ų128.671%0.70768%0.675SS**  trans-71.396.8167-63.2174.5000107.7V16 K20V16-L18 HydrophobicContact CG1-CD2 4.3Å; V16-L18 PolarHBondContact O-N 3.18Å; L18-K20 PolarHBondContact O-N 2.93Å
19R40.6Very low58.8Low209 Ų209119.9 Ų119.979%0.78964%0.638SS**  trans-57133.2171.5-75.7-176176.9-176.8-0.7108.1V17 H21V17-R19 PolarHBondContact O-N 2.88Å; R19-H21 PolarHBondContact O-CD2 2.98Å; R19-H21 VanDerWaalsContact O-CD2 3.32Å; R19-H21 PolarHBondContact O-N 2.85Å
20K43.3Very low61.4Low216 Ų216108.7 Ų108.794%0.93960%0.596SS**  trans-55.8100.1170.2-139.2179.6-174.4-178.20107L18 S22L18-K20 PolarHBondContact O-N 2.93Å; K20-S22 PolarHBondContact O-N 3.05Å
21H51.1Low64.2Low127 Ų127103.7 Ų103.759%0.58856%0.561SS**  trans-61.7126.4-172.6-73.3-82.8000109.1R19 N23R19-H21 PolarHBondContact O-CD2 2.98Å; R19-H21 VanDerWaalsContact O-CD2 3.32Å; R19-H21 PolarHBondContact O-N 2.85Å; H21-N23 PolarHBondContact O-N 3.42Å
22S51.2Low66.9Low79 Ų7995 Ų9555%0.55252%0.518SS*.  trans-57.5128.3165.156.70000107.9K20 M24K20-S22 PolarHBondContact O-N 3.05Å; S22-M24 PolarHBondContact O-N 3.16Å
23N71.5Confident69.6Low140 Ų14088.6 Ų88.675%0.74950%0.496SS*.SBendtrans-73.827.1-177.8-150.420.6000113.2H21 H173H21-N23 PolarHBondContact O-N 3.42Å; N23-H173 PolarHBondContact O-CD2 3.22Å
24M89.3Confident72.5Confident133 Ų13387.2 Ų87.266%0.65547%0.474SS*.SBendtrans-92.2138.5179.2-70-169.8-71.100110.3S22 S26 N29S22-M24 PolarHBondContact O-N 3.16Å; M24-S26 PolarHBondContact O-N 3.1Å; M24-N29 PolarHBondContact O-ND2 3.37Å
25A94.3Very high74.8Confident47 Ų4783 Ų8339%0.38845%0.448SS..  trans-58.5133.116900000110.4P171 V172 H173A25-P171 HydrophobicContact CB-CB 4.25Å; A25-V172 CarbonylContact C-O 3.45Å; A25-V172 VanDerWaalsContact CA-O 3.29Å; A25-V172 WeakPolarHBondContact CA-O 3.38Å; A25-H173 PolarHBondContact N-NE2 2.84Å
26S96.9Very high77.4Confident38 Ų3880.4 Ų80.427%0.26643%0.428SS..BIsolated β-bridgetrans-147.7145.5179.41760000109.6M24 S28 N29 V172M24-S26 PolarHBondContact O-N 3.1Å; S26-S28 PolarHBondContact O-N 3.35Å; S26-S28 PolarHBondContact OG-N 2.91Å; S26-S28 VanDerWaalsContact OG-N 3.12Å; S26-S28 PolarHBondContact OG-OG 3.02Å; S26-N29 WeakPolarHBondContact O-CB 3.28Å; S26-N29 PolarHBondContact O-N 3.09Å; S26-V172 PolarHBondContact N-O 2.9Å; S26-V172 PolarHBondContact O-N 3.29Å; S26-V172 VanDerWaalsContact O-N 3.13Å
27S96.2Very high79.6Confident52 Ų5275.8 Ų75.836%0.36440%0.399SS..G310 helixtrans-61.8-27.8171.655.40000111.2N29 N30 S33S27-N29 PolarHBondContact O-N 3.4Å; S27-N30 VanDerWaalsContact O-CB 3.24Å; S27-N30 WeakPolarHBondContact O-CB 3.4Å; S27-N30 PolarHBondContact O-N 3.3Å; S27-S33 WeakPolarHBondContact O-CB 3.46Å; S27-S33 PolarHBondContact O-OG 3.43Å
28S96.4Very high82.1Confident65 Ų6574.5 Ų74.546%0.45540%0.4SS..G310 helixtrans-67.6-14.8174.771.60000114S26 H34S26-S28 PolarHBondContact O-N 3.35Å; S26-S28 PolarHBondContact OG-N 2.91Å; S26-S28 VanDerWaalsContact OG-N 3.12Å; S26-S28 PolarHBondContact OG-OG 3.02Å; S28-H34 PolarHBondContact O-NE2 2.76Å; S28-H34 VanDerWaalsContact O-NE2 3.08Å
29N97.4Very high84.4Confident15 Ų1571.2 Ų71.28%0.0838%0.383CS..G310 helixtrans-87.5-15.5173.2-62.9-29.4000112M24 S26 S27 L31 V172 Q174 H197M24-N29 PolarHBondContact O-ND2 3.37Å; S26-N29 WeakPolarHBondContact O-CB 3.28Å; S26-N29 PolarHBondContact O-N 3.09Å; S27-N29 PolarHBondContact O-N 3.4Å; N29-L31 PolarHBondContact O-N 3.44Å; N29-V172 HydrophobicContact CB-CG2 4.08Å; N29-V172 VanDerWaalsContact CB-O 3.23Å; N29-V172 WeakPolarHBondContact CB-O 3.34Å; N29-V172 PolarHBondContact ND2-O 2.99Å; N29-Q174 VanDerWaalsContact CA-NE2 3.32Å; N29-Q174 HydrophobicContact CB-CG 4.14Å; N29-Q174 VanDerWaalsContact CG-NE2 3.33Å; N29-Q174 PolarHBondContact OD1-NE2 3.49Å; N29-H197 WeakPolarHBondContact O-CB 3.32Å
30N97.9Very high87Confident0 Ų065.1 Ų65.10%037%0.369CS..SBendtrans-73.1121.5177.3-164.7-44.3000108.9S27 Y32 S33 M98 V169 M170 V172 H197S27-N30 VanDerWaalsContact O-CB 3.24Å; S27-N30 WeakPolarHBondContact O-CB 3.4Å; S27-N30 PolarHBondContact O-N 3.3Å; N30-Y32 PolarHBondContact O-N 3.29Å; N30-Y32 VanDerWaalsContact OD1-CB 3.27Å; N30-Y32 WeakPolarHBondContact OD1-CB 3.38Å; N30-Y32 PolarHBondContact OD1-N 2.84Å; N30-S33 WeakPolarHBondContact O-CB 3.38Å; N30-S33 PolarHBondContact O-N 3.32Å; N30-M98 PolarHBondContact ND2-O 3.44Å; N30-M98 PolarHBondContact OD1-O 2.83Å; N30-V169 HydrophobicContact CB-CG1 3.73Å; N30-M170 PolarHBondContact ND2-O 3.02Å; N30-V172 HydrophobicContact CB-CG2 3.76Å; N30-H197 PolarHBondContact OD1-CE1 3.47Å
31L97.6Very high89.5Confident1 Ų157.9 Ų57.91%0.00536%0.355CS..G310 helixtrans-41-39.1173174.867.5000112.8N29 S33 H34 M98 H197 L200 I236 M240N29-L31 PolarHBondContact O-N 3.44Å; L31-S33 PolarHBondContact O-N 3.43Å; L31-H34 WeakPolarHBondContact O-CB 3.18Å; L31-H34 PolarHBondContact O-N 3.22Å; L31-M98 HydrophobicContact CD2-SD 3.79Å; L31-H197 PolarHBondContact N-ND1 3.07Å; L31-L200 HydrophobicContact CD1-CB 4.01Å; L31-L200 HydrophobicContact CD2-CB 3.76Å; L31-L200 HydrophobicContact CD2-CD1 3.61Å; L31-L200 HydrophobicContact CD2-CG 4.3Å; L31-L200 HydrophobicContact CG-CB 4.37Å; L31-I236 HydrophobicContact CD1-CG2 4.14Å; L31-I236 HydrophobicContact CD2-CG2 4.13Å; L31-I236 HydrophobicContact CG-CG2 4.49Å; L31-M240 HydrophobicContact CD1-SD 4.21Å
32Y97.7Very high91.7Very high10 Ų1054.9 Ų54.94%0.03934%0.343CS..G310 helixtrans-55-35.7-179.4-170.2-96.6000113.4N30 H34 L35 F37 H59 I62 L95 K99 V169N30-Y32 PolarHBondContact O-N 3.29Å; N30-Y32 VanDerWaalsContact OD1-CB 3.27Å; N30-Y32 WeakPolarHBondContact OD1-CB 3.38Å; N30-Y32 PolarHBondContact OD1-N 2.84Å; Y32-H34 PolarHBondContact O-N 3.17Å; Y32-L35 HydrophobicContact CD2-CD1 3.79Å; Y32-L35 HydrophobicContact CE2-CD1 4.17Å; Y32-L35 HydrophobicContact CG-CD1 4.45Å; Y32-L35 PolarHBondContact O-N 3.36Å; Y32-F37 HydrophobicContact CD2-CE2 4.4Å; Y32-F37 HydrophobicContact CE1-CE2 4.47Å; Y32-F37 HydrophobicContact CE2-CD2 4.43Å; Y32-F37 AromaticContact CE2-CE2 3.63Å; Y32-F37 HydrophobicContact CE2-CE2 3.63Å; Y32-F37 HydrophobicContact CE2-CZ 4.38Å; Y32-F37 AromaticContact CZ-CE2 3.69Å; Y32-H59 PolarHBondContact OH-CD2 3.3Å; Y32-H59 PolarHBondContact OH-NE2 2.62Å; Y32-I62 HydrophobicContact CE2-CD1 4.19Å; Y32-I62 HydrophobicContact CE2-CG2 3.67Å; Y32-L95 HydrophobicContact CD2-CB 4.32Å; Y32-L95 HydrophobicContact CE2-CB 4.3Å; Y32-K99 HydrophobicContact CD1-CB 4.19Å; Y32-K99 HydrophobicContact CD1-CD 4.08Å; Y32-K99 HydrophobicContact CD1-CG 3.89Å; Y32-K99 HydrophobicContact CD2-CB 3.9Å; Y32-K99 HydrophobicContact CD2-CD 4.43Å; Y32-K99 HydrophobicContact CD2-CG 4.38Å; Y32-K99 HydrophobicContact CE1-CD 3.7Å; Y32-K99 HydrophobicContact CE1-CG 4.04Å; Y32-K99 HydrophobicContact CE2-CB 4.34Å; Y32-K99 HydrophobicContact CE2-CD 4.11Å; Y32-K99 HydrophobicContact CG-CB 3.82Å; Y32-K99 HydrophobicContact CG-CD 4.41Å; Y32-K99 HydrophobicContact CG-CG 4.05Å; Y32-V169 HydrophobicContact CD1-CG1 4.32Å; Y32-V169 HydrophobicContact CD1-CG2 3.65Å; Y32-V169 HydrophobicContact CE1-CG2 4.07Å
33S97.4Very high93.9Very high53 Ų5353 Ų5337%0.37133%0.327SS..G310 helixtrans-69.2-10.2179.4-61.30000114S27 N30 L31S27-S33 WeakPolarHBondContact O-CB 3.46Å; S27-S33 PolarHBondContact O-OG 3.43Å; N30-S33 WeakPolarHBondContact O-CB 3.38Å; N30-S33 PolarHBondContact O-N 3.32Å; L31-S33 PolarHBondContact O-N 3.43Å
34H96.8Very high95.2Very high65 Ų6546.3 Ų46.330%0.30129%0.291SS..G310 helixtrans-99.22.9178-61.9-84.9000113.4S28 L31 Y32 T201 M240S28-H34 PolarHBondContact O-NE2 2.76Å; S28-H34 VanDerWaalsContact O-NE2 3.08Å; L31-H34 WeakPolarHBondContact O-CB 3.18Å; L31-H34 PolarHBondContact O-N 3.22Å; Y32-H34 PolarHBondContact O-N 3.17Å; H34-T201 WeakPolarHBondContact NE2-CG2 3.26Å; H34-M240 HydrophobicContact CB-CE 4.04Å
35L96.4Very high95.6Very high14 Ų1440 Ų407%0.07326%0.26CS..SBendtrans-87.3143.6179.4-56.4173.4000111Y32 F37 L95 I236 L239 M240Y32-L35 HydrophobicContact CD2-CD1 3.79Å; Y32-L35 HydrophobicContact CE2-CD1 4.17Å; Y32-L35 HydrophobicContact CG-CD1 4.45Å; Y32-L35 PolarHBondContact O-N 3.36Å; L35-F37 VanDerWaalsContact C-N 3.32Å; L35-F37 HydrophobicContact CB-CD2 3.82Å; L35-F37 HydrophobicContact CB-CE2 3.41Å; L35-F37 VanDerWaalsContact CB-CE2 3.41Å; L35-F37 HydrophobicContact CB-CZ 3.97Å; L35-F37 HydrophobicContact CD1-CE2 3.64Å; L35-F37 HydrophobicContact CD1-CZ 3.98Å; L35-F37 HydrophobicContact CG-CE2 4.17Å; L35-F37 PolarHBondContact O-N 2.7Å; L35-L95 HydrophobicContact CD1-CD1 4.02Å; L35-L95 HydrophobicContact CD1-CD2 3.58Å; L35-L95 HydrophobicContact CD1-CG 4.37Å; L35-I236 HydrophobicContact CD2-CG2 4.22Å; L35-L239 HydrophobicContact CD2-CB 3.89Å; L35-M240 HydrophobicContact CD2-CG 3.71Å
36H90.5Very high95.8Very high66 Ų6638.5 Ų38.531%0.30625%0.246SC..  trans-85.659.1-168.9-160.180.7000113.7A38 N39 Y55 L239H36-A38 VanDerWaalsContact C-N 3.32Å; H36-A38 PolarHBondContact O-N 2.77Å; H36-N39 PolarHBondContact NE2-ND2 3.14Å; H36-Y55 VanDerWaalsContact O-CD1 3.28Å; H36-Y55 WeakPolarHBondContact O-CD1 3.45Å; H36-L239 WeakPolarHBondContact CB-O 3.48Å; H36-L239 PolarHBondContact N-O 2.68Å
37F91.5Very high95.8Very high15 Ų1537.9 Ų37.97%0.06624%0.239CC..THydrogen-bonded Turntrans-83.1-0.4-178.9-63.4-57.4000115.2Y32 L35 N39 Y55 F58 H59 I62 L95Y32-F37 HydrophobicContact CD2-CE2 4.4Å; Y32-F37 HydrophobicContact CE1-CE2 4.47Å; Y32-F37 HydrophobicContact CE2-CD2 4.43Å; Y32-F37 AromaticContact CE2-CE2 3.63Å; Y32-F37 HydrophobicContact CE2-CE2 3.63Å; Y32-F37 HydrophobicContact CE2-CZ 4.38Å; Y32-F37 AromaticContact CZ-CE2 3.69Å; L35-F37 VanDerWaalsContact C-N 3.32Å; L35-F37 HydrophobicContact CB-CD2 3.82Å; L35-F37 HydrophobicContact CB-CE2 3.41Å; L35-F37 VanDerWaalsContact CB-CE2 3.41Å; L35-F37 HydrophobicContact CB-CZ 3.97Å; L35-F37 HydrophobicContact CD1-CE2 3.64Å; L35-F37 HydrophobicContact CD1-CZ 3.98Å; L35-F37 HydrophobicContact CG-CE2 4.17Å; L35-F37 PolarHBondContact O-N 2.7Å; F37-N39 PolarHBondContact O-N 2.66Å; F37-Y55 AromaticContact CD1-CD1 3.84Å; F37-Y55 HydrophobicContact CD1-CD1 3.84Å; F37-Y55 HydrophobicContact CE1-CD1 4.14Å; F37-F58 AromaticContact CE1-CD1 3.92Å; F37-F58 HydrophobicContact CE1-CD1 3.92Å; F37-F58 HydrophobicContact CE1-CE1 4.4Å; F37-F58 HydrophobicContact CZ-CD1 4.41Å; F37-F58 HydrophobicContact CZ-CE1 4.47Å; F37-H59 HydrophobicContact CB-CB 4.18Å; F37-H59 HydrophobicContact CD1-CB 3.73Å; F37-H59 HydrophobicContact CE1-CB 4.32Å; F37-H59 HydrophobicContact CG-CB 3.97Å; F37-H59 AromaticContact CG-CG 3.89Å; F37-I62 HydrophobicContact CE1-CD1 4.04Å; F37-I62 HydrophobicContact CE2-CD1 4.14Å; F37-I62 HydrophobicContact CZ-CD1 3.47Å; F37-I62 VanDerWaalsContact CZ-CD1 3.47Å; F37-L95 HydrophobicContact CZ-CD1 4.36Å
38A87.2Confident95.7Very high85 Ų8538 Ų3870%0.70223%0.234SC*.THydrogen-bonded Turntrans-68.5-32-179.300000113.3H36 T40H36-A38 VanDerWaalsContact C-N 3.32Å; H36-A38 PolarHBondContact O-N 2.77Å; A38-T40 PolarHBondContact O-N 3.23Å
39N90.2Very high95.7Very high65 Ų6540.6 Ų40.635%0.34824%0.239SC..  trans-91.770.9179.7-72.3-21.9000110.9H36 F37 G41 L42H36-N39 PolarHBondContact NE2-ND2 3.14Å; F37-N39 PolarHBondContact O-N 2.66Å; N39-G41 PolarHBondContact O-N 2.93Å; N39-G41 VanDerWaalsContact O-N 3.09Å; N39-L42 HydrophobicContact CB-CD1 3.58Å; N39-L42 HydrophobicContact CB-CG 3.89Å; N39-L42 PolarHBondContact O-N 2.93Å; N39-L42 VanDerWaalsContact O-N 3.13Å
40T95.3Very high95.6Very high82 Ų8241.3 Ų41.350%0.50325%0.25SS..THydrogen-bonded Turntrans-58.9-26.1-170.556.30000114.9A38 T54 G56A38-T40 PolarHBondContact O-N 3.23Å; T40-T54 WeakPolarHBondContact O-CB 3.29Å; T40-T54 PolarHBondContact O-OG1 3.5Å; T40-T54 VanDerWaalsContact O-OG1 3.12Å; T40-G56 PolarHBondContact O-N 3.19Å
41G96.5Very high95.6Very high63 Ų6347.4 Ų47.465%0.64928%0.279SS*.THydrogen-bonded Turntrans-84.4-12.1-179.800000115.6N39N39-G41 PolarHBondContact O-N 2.93Å; N39-G41 VanDerWaalsContact O-N 3.09Å
42L96.6Very high95.7Very high64 Ų6453 Ų5334%0.33531%0.305SS..SBendtrans-72.5147.8177.2-67.3179.1000110.7N39 A44 T54 Y55 K215N39-L42 HydrophobicContact CB-CD1 3.58Å; N39-L42 HydrophobicContact CB-CG 3.89Å; N39-L42 PolarHBondContact O-N 2.93Å; N39-L42 VanDerWaalsContact O-N 3.13Å; L42-A44 PolarHBondContact O-N 2.85Å; L42-T54 CarbonylContact O-C 3.08Å; L42-T54 WeakPolarHBondContact O-CA 3.4Å; L42-T54 WeakPolarHBondContact O-CB 3.38Å; L42-Y55 HydrophobicContact CB-CD2 3.95Å; L42-Y55 WeakPolarHBondContact O-CD2 3.42Å; L42-Y55 PolarHBondContact O-N 2.86Å; L42-K215 HydrophobicContact CD1-CB 4.39Å
43I98.2Very high95.7Very high40 Ų4053.2 Ų53.221%0.20531%0.307CS..EExtended strand (participates in β ladder)trans-70.3124.1173.3-56.1-47.5000109.3F45 E52 T54 S244I43-F45 WeakPolarHBondContact CG2-O 3.22Å; I43-E52 HydrophobicContact CD1-CB 4Å; I43-E52 WeakPolarHBondContact CD1-OE2 3.5Å; I43-E52 HydrophobicContact CG2-CB 4.24Å; I43-E52 HydrophobicContact CG2-CG 4.39Å; I43-T54 HydrophobicContact CD1-CG2 4.08Å; I43-S244 WeakPolarHBondContact O-CB 3.45Å; I43-S244 PolarHBondContact O-OG 2.97Å
44A98.4Very high95.8Very high0 Ų052.3 Ų52.30%030%0.299CS..EExtended strand (participates in β ladder)trans-88.6-47.2170.500000110.6L42 T53 Y55 F58 S244 T245L42-A44 PolarHBondContact O-N 2.85Å; A44-T53 PolarHBondContact N-O 3.37Å; A44-Y55 HydrophobicContact CB-CD1 4.33Å; A44-Y55 HydrophobicContact CB-CD2 3.63Å; A44-Y55 HydrophobicContact CB-CE1 4.47Å; A44-Y55 HydrophobicContact CB-CE2 3.78Å; A44-Y55 HydrophobicContact CB-CG 3.91Å; A44-F58 HydrophobicContact CB-CB 4.48Å; A44-S244 CarbonylContact O-C 3.51Å; A44-T245 PolarHBondContact O-N 3.12Å
45F98.6Very high95.9Very high1 Ų149.2 Ų49.20%0.00429%0.285CS..EExtended strand (participates in β ladder)trans-132.8141.8-176.8-59.3-68.7000112.3I43 E52 T53 F58 K88 L91 L235 L239 T245 L247I43-F45 WeakPolarHBondContact CG2-O 3.22Å; F45-E52 CarbonylContact O-C 3.59Å; F45-E52 VanDerWaalsContact O-CA 3.31Å; F45-E52 WeakPolarHBondContact O-CA 3.31Å; F45-T53 PolarHBondContact N-O 2.88Å; F45-T53 PolarHBondContact O-N 2.93Å; F45-F58 HydrophobicContact CD2-CD1 4.46Å; F45-F58 HydrophobicContact CD2-CD2 4.33Å; F45-F58 HydrophobicContact CD2-CG 4.23Å; F45-F58 HydrophobicContact CE2-CB 4.49Å; F45-F58 AromaticContact CE2-CD1 3.56Å; F45-F58 HydrophobicContact CE2-CD1 3.56Å; F45-F58 AromaticContact CE2-CD2 3.88Å; F45-F58 HydrophobicContact CE2-CD2 3.88Å; F45-F58 AromaticContact CE2-CE1 3.62Å; F45-F58 HydrophobicContact CE2-CE1 3.62Å; F45-F58 AromaticContact CE2-CE2 3.95Å; F45-F58 HydrophobicContact CE2-CE2 3.95Å; F45-F58 AromaticContact CE2-CG 3.71Å; F45-F58 HydrophobicContact CE2-CG 3.71Å; F45-F58 AromaticContact CE2-CZ 3.83Å; F45-F58 HydrophobicContact CE2-CZ 3.83Å; F45-F58 HydrophobicContact CZ-CD1 4.37Å; F45-F58 HydrophobicContact CZ-CE1 4.07Å; F45-F58 HydrophobicContact CZ-CZ 4.31Å; F45-K88 HydrophobicContact CB-CD 4.35Å; F45-K88 HydrophobicContact CD2-CD 4.48Å; F45-K88 HydrophobicContact CD2-CG 4.22Å; F45-K88 HydrophobicContact CG-CG 4.47Å; F45-L91 HydrophobicContact CE1-CD2 4.02Å; F45-L91 HydrophobicContact CE2-CD2 4.09Å; F45-L91 HydrophobicContact CZ-CD2 3.36Å; F45-L235 HydrophobicContact CE1-CD2 4.21Å; F45-L239 HydrophobicContact CZ-CD2 4.05Å; F45-T245 CarbonylContact C-O 3.6Å; F45-T245 VanDerWaalsContact CA-O 3.26Å; F45-T245 WeakPolarHBondContact CA-O 3.21Å; F45-T245 HydrophobicContact CD1-CG2 4.2Å; F45-T245 HydrophobicContact CE1-CG2 4.28Å; F45-L247 HydrophobicContact CD1-CB 4.24Å; F45-L247 HydrophobicContact CD1-CD2 4.28Å
46T98.6Very high95.9Very high15 Ų1549.4 Ų49.49%0.09229%0.29CS..EExtended strand (participates in β ladder)trans-117.9121.3159-53.60000106.3E51 E52 T245 I246 L247 W259T46-E51 WeakPolarHBondContact CA-O 3.29Å; T46-E52 HydrophobicContact CG2-CG 4.31Å; T46-T245 PolarHBondContact N-O 3.33Å; T46-I246 CarbonylContact O-C 3.5Å; T46-I246 VanDerWaalsContact O-CA 3.28Å; T46-I246 WeakPolarHBondContact O-CA 3.29Å; T46-L247 PolarHBondContact O-N 3.37Å; T46-W259 HydrophobicContact CG2-CH2 3.79Å; T46-W259 HydrophobicContact CG2-CZ3 4.03Å
47D97.4Very high96.3Very high24 Ų2451.2 Ų51.213%0.12830%0.299CS..EExtended strand (participates in β ladder)trans-79.7178.9177.168.824.9000112.4Q49 G50 E51D47-Q49 PolarHBondContact O-N 2.89Å; D47-Q49 WeakPolarHBondContact OD1-CA 3.39Å; D47-Q49 WeakPolarHBondContact OD1-CB 3.46Å; D47-Q49 PolarHBondContact OD1-N 2.81Å; D47-Q49 PolarHBondContact OD1-OE1 3.12Å; D47-G50 PolarHBondContact O-N 3.27Å; D47-G50 PolarHBondContact OD1-N 3.43Å; D47-E51 PolarHBondContact N-O 3.45Å; D47-E51 PolarHBondContact OD1-N 2.69Å; D47-E51 WeakPolarHBondContact OD2-CB 3.32Å
48H93.6Very high96.6Very high55 Ų5550.5 Ų50.526%0.25530%0.296SS..THydrogen-bonded Turntrans-67.1-16.4-178.270.4-69.3000115.1L248H48-L248 HydrophobicContact CB-CD2 3.86Å
49Q95.2Very high97.2Very high119 Ų11948.3 Ų48.356%0.55627%0.271SS*.THydrogen-bonded Turntrans-87-15.1169.7-66.994.6-11.900112.6D47D47-Q49 PolarHBondContact O-N 2.89Å; D47-Q49 WeakPolarHBondContact OD1-CA 3.39Å; D47-Q49 WeakPolarHBondContact OD1-CB 3.46Å; D47-Q49 PolarHBondContact OD1-N 2.81Å; D47-Q49 PolarHBondContact OD1-OE1 3.12Å
50G96.8Very high97.5Very high31 Ų3148.5 Ų48.532%0.3227%0.27SS..  trans9610.4-177.400000113.7D47 E52D47-G50 PolarHBondContact O-N 3.27Å; D47-G50 PolarHBondContact OD1-N 3.43Å; G50-E52 PolarHBondContact O-N 2.81Å
51E98.1Very high97.7Very high128 Ų12846.9 Ų46.960%0.59826%0.258SS*.  trans-72.2129.5172.3-61-162.2165.300110.2T46 D47T46-E51 WeakPolarHBondContact CA-O 3.29Å; D47-E51 PolarHBondContact N-O 3.45Å; D47-E51 PolarHBondContact OD1-N 2.69Å; D47-E51 WeakPolarHBondContact OD2-CB 3.32Å
52E98.4Very high97.8Very high118 Ų11843.9 Ų43.955%0.55123%0.227SC*.EExtended strand (participates in β ladder)trans-94148.3179.9-62.3-170.5152.300111.5I43 F45 T46 G50I43-E52 HydrophobicContact CD1-CB 4Å; I43-E52 WeakPolarHBondContact CD1-OE2 3.5Å; I43-E52 HydrophobicContact CG2-CB 4.24Å; I43-E52 HydrophobicContact CG2-CG 4.39Å; F45-E52 CarbonylContact O-C 3.59Å; F45-E52 VanDerWaalsContact O-CA 3.31Å; F45-E52 WeakPolarHBondContact O-CA 3.31Å; T46-E52 HydrophobicContact CG2-CG 4.31Å; G50-E52 PolarHBondContact O-N 2.81Å
53T98.5Very high97.9Very high15 Ų1540.9 Ų40.99%0.09221%0.211CC..EExtended strand (participates in β ladder)trans-136124.2173.1-60.60000108.5A44 F45 Q57 F58 K88A44-T53 PolarHBondContact N-O 3.37Å; F45-T53 PolarHBondContact N-O 2.88Å; F45-T53 PolarHBondContact O-N 2.93Å; T53-Q57 HydrophobicContact CG2-CB 3.79Å; T53-F58 HydrophobicContact CG2-CB 4.19Å; T53-K88 HydrophobicContact CG2-CD 4.15Å; T53-K88 WeakPolarHBondContact OG1-CD 3.38Å; T53-K88 PolarHBondContact OG1-NZ 2.82Å
54T98.5Very high97.9Very high33 Ų3342 Ų4220%0.20221%0.212CC..EExtended strand (participates in β ladder)trans-75.1161.2179.873.20000111.6T40 L42 I43 G56 Q57 F58T40-T54 WeakPolarHBondContact O-CB 3.29Å; T40-T54 PolarHBondContact O-OG1 3.5Å; T40-T54 VanDerWaalsContact O-OG1 3.12Å; L42-T54 CarbonylContact O-C 3.08Å; L42-T54 WeakPolarHBondContact O-CA 3.4Å; L42-T54 WeakPolarHBondContact O-CB 3.38Å; I43-T54 HydrophobicContact CD1-CG2 4.08Å; T54-G56 PolarHBondContact O-N 2.93Å; T54-G56 PolarHBondContact OG1-N 2.99Å; T54-Q57 PolarHBondContact O-N 2.62Å; T54-Q57 WeakPolarHBondContact OG1-CG 3.45Å; T54-Q57 PolarHBondContact OG1-N 2.84Å; T54-Q57 VanDerWaalsContact OG1-N 3.15Å; T54-F58 WeakPolarHBondContact O-CB 3.42Å; T54-F58 PolarHBondContact O-N 2.79Å
55Y98.4Very high97.9Very high1 Ų142 Ų420%0.00421%0.212CC..Hα-helixtrans-55.7-36.5170.4-90.9-91.6000111.9H36 F37 L42 A44 H59 C238 L239 G242 S243H36-Y55 VanDerWaalsContact O-CD1 3.28Å; H36-Y55 WeakPolarHBondContact O-CD1 3.45Å; F37-Y55 AromaticContact CD1-CD1 3.84Å; F37-Y55 HydrophobicContact CD1-CD1 3.84Å; F37-Y55 HydrophobicContact CE1-CD1 4.14Å; L42-Y55 HydrophobicContact CB-CD2 3.95Å; L42-Y55 WeakPolarHBondContact O-CD2 3.42Å; L42-Y55 PolarHBondContact O-N 2.86Å; A44-Y55 HydrophobicContact CB-CD1 4.33Å; A44-Y55 HydrophobicContact CB-CD2 3.63Å; A44-Y55 HydrophobicContact CB-CE1 4.47Å; A44-Y55 HydrophobicContact CB-CE2 3.78Å; A44-Y55 HydrophobicContact CB-CG 3.91Å; Y55-H59 WeakPolarHBondContact O-CB 3.45Å; Y55-H59 PolarHBondContact O-N 2.85Å; Y55-C238 PolarHBondContact OH-O 2.85Å; Y55-L239 HydrophobicContact CE1-CD2 3.74Å; Y55-G242 VanDerWaalsContact OH-CA 3.28Å; Y55-G242 WeakPolarHBondContact OH-CA 3.3Å; Y55-S243 PolarHBondContact OH-N 2.81Å; Y55-S243 PolarHBondContact OH-O 3.33Å
56G98.1Very high97.9Very high17 Ų1741.9 Ų41.918%0.17521%0.212CC..Hα-helixtrans-65.4-48.3176.800000112.7T40 T54 F58 H59 E60T40-G56 PolarHBondContact O-N 3.19Å; T54-G56 PolarHBondContact O-N 2.93Å; T54-G56 PolarHBondContact OG1-N 2.99Å; G56-F58 VanDerWaalsContact C-N 3.34Å; G56-F58 PolarHBondContact O-N 2.93Å; G56-H59 PolarHBondContact O-N 3.37Å; G56-E60 PolarHBondContact O-N 2.82Å
57Q98.2Very high97.9Very high104 Ų10442.4 Ų42.449%0.48622%0.215SC..Hα-helixtrans-62.6-41.5177.2-71.1169.3-3100111.6T53 T54 E60 L61T53-Q57 HydrophobicContact CG2-CB 3.79Å; T54-Q57 PolarHBondContact O-N 2.62Å; T54-Q57 WeakPolarHBondContact OG1-CG 3.45Å; T54-Q57 PolarHBondContact OG1-N 2.84Å; T54-Q57 VanDerWaalsContact OG1-N 3.15Å; Q57-E60 PolarHBondContact O-N 3.03Å; Q57-L61 PolarHBondContact O-N 3.13Å
58F98.4Very high98Very high0 Ų042.1 Ų42.10%021%0.213CC..Hα-helixtrans-69.4-39.6178.1-175.4-123.8000112.6F37 A44 F45 T53 T54 G56 E60 L61 I62 K88 L91 A92 L95 L239F37-F58 AromaticContact CE1-CD1 3.92Å; F37-F58 HydrophobicContact CE1-CD1 3.92Å; F37-F58 HydrophobicContact CE1-CE1 4.4Å; F37-F58 HydrophobicContact CZ-CD1 4.41Å; F37-F58 HydrophobicContact CZ-CE1 4.47Å; A44-F58 HydrophobicContact CB-CB 4.48Å; F45-F58 HydrophobicContact CD2-CD1 4.46Å; F45-F58 HydrophobicContact CD2-CD2 4.33Å; F45-F58 HydrophobicContact CD2-CG 4.23Å; F45-F58 HydrophobicContact CE2-CB 4.49Å; F45-F58 AromaticContact CE2-CD1 3.56Å; F45-F58 HydrophobicContact CE2-CD1 3.56Å; F45-F58 AromaticContact CE2-CD2 3.88Å; F45-F58 HydrophobicContact CE2-CD2 3.88Å; F45-F58 AromaticContact CE2-CE1 3.62Å; F45-F58 HydrophobicContact CE2-CE1 3.62Å; F45-F58 AromaticContact CE2-CE2 3.95Å; F45-F58 HydrophobicContact CE2-CE2 3.95Å; F45-F58 AromaticContact CE2-CG 3.71Å; F45-F58 HydrophobicContact CE2-CG 3.71Å; F45-F58 AromaticContact CE2-CZ 3.83Å; F45-F58 HydrophobicContact CE2-CZ 3.83Å; F45-F58 HydrophobicContact CZ-CD1 4.37Å; F45-F58 HydrophobicContact CZ-CE1 4.07Å; F45-F58 HydrophobicContact CZ-CZ 4.31Å; T53-F58 HydrophobicContact CG2-CB 4.19Å; T54-F58 WeakPolarHBondContact O-CB 3.42Å; T54-F58 PolarHBondContact O-N 2.79Å; G56-F58 VanDerWaalsContact C-N 3.34Å; G56-F58 PolarHBondContact O-N 2.93Å; F58-E60 VanDerWaalsContact C-N 3.35Å; F58-L61 HydrophobicContact CD2-CD2 4.31Å; F58-L61 WeakPolarHBondContact O-CB 3.46Å; F58-L61 PolarHBondContact O-N 2.93Å; F58-I62 HydrophobicContact CD1-CD1 3.9Å; F58-I62 HydrophobicContact CE1-CD1 3.63Å; F58-I62 HydrophobicContact CE1-CG1 4.37Å; F58-I62 HydrophobicContact CE2-CD1 4.4Å; F58-I62 HydrophobicContact CE2-CG1 4.31Å; F58-I62 HydrophobicContact CG-CD1 4.4Å; F58-I62 HydrophobicContact CZ-CD1 3.88Å; F58-I62 HydrophobicContact CZ-CG1 4.14Å; F58-I62 WeakPolarHBondContact O-CG1 3.44Å; F58-I62 PolarHBondContact O-N 3.47Å; F58-K88 WeakPolarHBondContact CE2-O 3.33Å; F58-L91 HydrophobicContact CE1-CD2 4.23Å; F58-L91 HydrophobicContact CE2-CB 4.47Å; F58-L91 HydrophobicContact CZ-CB 4.08Å; F58-L91 HydrophobicContact CZ-CD2 3.74Å; F58-L91 HydrophobicContact CZ-CG 3.78Å; F58-A92 HydrophobicContact CE2-CB 3.93Å; F58-L95 HydrophobicContact CE1-CD1 3.8Å; F58-L95 HydrophobicContact CZ-CD1 3.95Å; F58-L239 HydrophobicContact CD1-CD2 4.34Å; F58-L239 HydrophobicContact CE1-CD1 4.05Å; F58-L239 HydrophobicContact CE1-CD2 4.18Å
59H98.3Very high98.2Very high39 Ų3939.5 Ų39.518%0.18120%0.201CC..Hα-helixtrans-57.9-48.4172.7-177.6-168.8000111Y32 F37 Y55 G56 L61 I62 C63 Y167Y32-H59 PolarHBondContact OH-CD2 3.3Å; Y32-H59 PolarHBondContact OH-NE2 2.62Å; F37-H59 HydrophobicContact CB-CB 4.18Å; F37-H59 HydrophobicContact CD1-CB 3.73Å; F37-H59 HydrophobicContact CE1-CB 4.32Å; F37-H59 HydrophobicContact CG-CB 3.97Å; F37-H59 AromaticContact CG-CG 3.89Å; Y55-H59 WeakPolarHBondContact O-CB 3.45Å; Y55-H59 PolarHBondContact O-N 2.85Å; G56-H59 PolarHBondContact O-N 3.37Å; H59-L61 VanDerWaalsContact C-N 3.32Å; H59-L61 PolarHBondContact O-N 3Å; H59-I62 PolarHBondContact O-N 2.95Å; H59-C63 VanDerWaalsContact CD2-SG 3.51Å; H59-C63 PolarHBondContact O-N 2.82Å; H59-C63 PolarHBondContact O-SG 3.23Å; H59-Y167 AromaticContact CE1-CD1 3.67Å; H59-Y167 AromaticContact CE1-CE1 3.8Å; H59-Y167 AromaticContact NE2-CD1 3.52Å; H59-Y167 AromaticContact NE2-CE1 3.83Å
60E98.2Very high98.3Very high70 Ų7037.1 Ų37.133%0.32719%0.192SC..Hα-helixtrans-58.8-44177.1-169.2-175.5149.700111.8G56 Q57 F58 I62 C63 R64 P165G56-E60 PolarHBondContact O-N 2.82Å; Q57-E60 PolarHBondContact O-N 3.03Å; F58-E60 VanDerWaalsContact C-N 3.35Å; E60-I62 PolarHBondContact O-N 3.37Å; E60-C63 PolarHBondContact O-N 2.7Å; E60-R64 WeakPolarHBondContact O-CG 3.25Å; E60-R64 PolarHBondContact O-N 2.74Å; E60-R64 IonicContact OE1-CZ 2.66Å; E60-R64 IonicContact OE1-NE 3.64Å; E60-R64 PolarHBondContact OE1-NE 3.4Å; E60-R64 IonicContact OE1-NH2 3.5Å; E60-R64 PolarHBondContact OE1-NH2 2.97Å; E60-P165 HydrophobicContact CG-CB 4.34Å; E60-P165 HydrophobicContact CG-CG 4.49Å
61L98.5Very high98.4Very high48 Ų4841 Ų4125%0.25121%0.205SC..Hα-helixtrans-56.5-47.9175.2178.862.6000111.5Q57 F58 H59 C63 R64 V65 K88 L89 A92 V160Q57-L61 PolarHBondContact O-N 3.13Å; F58-L61 HydrophobicContact CD2-CD2 4.31Å; F58-L61 WeakPolarHBondContact O-CB 3.46Å; F58-L61 PolarHBondContact O-N 2.93Å; H59-L61 VanDerWaalsContact C-N 3.32Å; H59-L61 PolarHBondContact O-N 3Å; L61-C63 VanDerWaalsContact C-N 3.32Å; L61-C63 PolarHBondContact O-N 3.29Å; L61-R64 PolarHBondContact O-N 2.95Å; L61-V65 HydrophobicContact CD1-CG2 4.34Å; L61-V65 VanDerWaalsContact O-CG2 3.26Å; L61-V65 WeakPolarHBondContact O-CG2 3.37Å; L61-V65 PolarHBondContact O-N 3.46Å; L61-K88 HydrophobicContact CD2-CB 4.29Å; L61-L89 HydrophobicContact CD1-CD1 4.34Å; L61-A92 HydrophobicContact CD2-CB 3.82Å; L61-A92 HydrophobicContact CG-CB 3.72Å; L61-V160 HydrophobicContact CD1-CG1 3.79Å
62I98.7Very high98.3Very high0 Ų036.5 Ų36.50%019%0.187CC..Hα-helixtrans-59.3-44.6177.3-62.9156.7000111Y32 F37 F58 H59 E60 R64 V65 S66 A92 L95 A96 K99Y32-I62 HydrophobicContact CE2-CD1 4.19Å; Y32-I62 HydrophobicContact CE2-CG2 3.67Å; F37-I62 HydrophobicContact CE1-CD1 4.04Å; F37-I62 HydrophobicContact CE2-CD1 4.14Å; F37-I62 HydrophobicContact CZ-CD1 3.47Å; F37-I62 VanDerWaalsContact CZ-CD1 3.47Å; F58-I62 HydrophobicContact CD1-CD1 3.9Å; F58-I62 HydrophobicContact CE1-CD1 3.63Å; F58-I62 HydrophobicContact CE1-CG1 4.37Å; F58-I62 HydrophobicContact CE2-CD1 4.4Å; F58-I62 HydrophobicContact CE2-CG1 4.31Å; F58-I62 HydrophobicContact CG-CD1 4.4Å; F58-I62 HydrophobicContact CZ-CD1 3.88Å; F58-I62 HydrophobicContact CZ-CG1 4.14Å; F58-I62 WeakPolarHBondContact O-CG1 3.44Å; F58-I62 PolarHBondContact O-N 3.47Å; H59-I62 PolarHBondContact O-N 2.95Å; E60-I62 PolarHBondContact O-N 3.37Å; I62-R64 VanDerWaalsContact C-N 3.35Å; I62-R64 PolarHBondContact O-N 2.94Å; I62-V65 PolarHBondContact O-N 3.41Å; I62-S66 PolarHBondContact O-N 3.15Å; I62-A92 HydrophobicContact CG1-CB 3.85Å; I62-L95 HydrophobicContact CD1-CB 4.11Å; I62-L95 HydrophobicContact CD1-CD1 3.58Å; I62-L95 HydrophobicContact CG1-CB 4.16Å; I62-L95 HydrophobicContact CG1-CD1 4.32Å; I62-L95 HydrophobicContact CG2-CB 4.01Å; I62-A96 HydrophobicContact CG2-CB 4.14Å; I62-K99 HydrophobicContact CG2-CD 4.29Å
63C98.7Very high98.2Very high0 Ų037.5 Ų37.50%019%0.192CC..Hα-helixtrans-62.7-40.6-180-740000112.2H59 E60 L61 S66 T67 P165 N166 Y167H59-C63 VanDerWaalsContact CD2-SG 3.51Å; H59-C63 PolarHBondContact O-N 2.82Å; H59-C63 PolarHBondContact O-SG 3.23Å; E60-C63 PolarHBondContact O-N 2.7Å; L61-C63 VanDerWaalsContact C-N 3.32Å; L61-C63 PolarHBondContact O-N 3.29Å; C63-S66 PolarHBondContact O-N 2.97Å; C63-S66 PolarHBondContact O-OG 2.76Å; C63-T67 PolarHBondContact O-N 3.26Å; C63-T67 VanDerWaalsContact O-N 3.15Å; C63-T67 PolarHBondContact O-OG1 3.05Å; C63-P165 HydrophobicContact CB-CB 3.53Å; C63-N166 WeakPolarHBondContact CB-O 3.19Å; C63-N166 PolarHBondContact O-N 3.25Å; C63-N166 PolarHBondContact SG-O 3.15Å; C63-Y167 HydrophobicContact CB-CD1 4.37Å; C63-Y167 HydrophobicContact CB-CE1 4.26Å; C63-Y167 WeakPolarHBondContact SG-CD1 3.38Å
64R98.7Very high98.2Very high63 Ų6336.8 Ų36.824%0.23819%0.187CC..Hα-helixtrans-67.9-40.6175.1-66.5-179.2-177.7-103.45.3112.2E60 L61 I62 S66 T67 Q68 V160 Q163 P165E60-R64 WeakPolarHBondContact O-CG 3.25Å; E60-R64 PolarHBondContact O-N 2.74Å; E60-R64 IonicContact OE1-CZ 2.66Å; E60-R64 IonicContact OE1-NE 3.64Å; E60-R64 PolarHBondContact OE1-NE 3.4Å; E60-R64 IonicContact OE1-NH2 3.5Å; E60-R64 PolarHBondContact OE1-NH2 2.97Å; L61-R64 PolarHBondContact O-N 2.95Å; I62-R64 VanDerWaalsContact C-N 3.35Å; I62-R64 PolarHBondContact O-N 2.94Å; R64-S66 VanDerWaalsContact C-N 3.3Å; R64-S66 PolarHBondContact O-N 2.8Å; R64-T67 WeakPolarHBondContact O-CB 3.37Å; R64-T67 PolarHBondContact O-N 3.13Å; R64-Q68 PolarHBondContact O-N 3.12Å; R64-Q68 VanDerWaalsContact O-N 3.07Å; R64-V160 HydrophobicContact CB-CG1 3.75Å; R64-Q163 HydrophobicContact CB-CB 4.41Å; R64-Q163 WeakPolarHBondContact CD-O 3.3Å; R64-Q163 WeakPolarHBondContact CG-O 3.26Å; R64-Q163 PolarHBondContact NH1-O 3.19Å; R64-P165 HydrophobicContact CG-CB 4.11Å
65V98.7Very high98Very high0 Ų039 Ų390%020%0.201CC..Hα-helixtrans-61.4-40.1172.9179.80000111L61 I62 T67 Q68 L69 L89 A92 L93 A96 V160L61-V65 HydrophobicContact CD1-CG2 4.34Å; L61-V65 VanDerWaalsContact O-CG2 3.26Å; L61-V65 WeakPolarHBondContact O-CG2 3.37Å; L61-V65 PolarHBondContact O-N 3.46Å; I62-V65 PolarHBondContact O-N 3.41Å; V65-T67 VanDerWaalsContact C-N 3.32Å; V65-T67 PolarHBondContact O-N 2.94Å; V65-Q68 PolarHBondContact O-N 2.93Å; V65-Q68 VanDerWaalsContact O-N 3.15Å; V65-L69 HydrophobicContact CG1-CD1 4.35Å; V65-L69 HydrophobicContact CG1-CG 4.41Å; V65-L69 WeakPolarHBondContact O-CG 3.39Å; V65-L69 PolarHBondContact O-N 2.98Å; V65-L89 HydrophobicContact CG2-CD1 3.98Å; V65-A92 HydrophobicContact CG2-CB 4.16Å; V65-L93 HydrophobicContact CG1-CB 4.4Å; V65-L93 HydrophobicContact CG1-CD1 4.02Å; V65-A96 HydrophobicContact CB-CB 3.87Å; V65-A96 HydrophobicContact CG1-CB 3.64Å; V65-V160 HydrophobicContact CB-CG2 4.36Å; V65-V160 HydrophobicContact CG2-CB 4.46Å; V65-V160 HydrophobicContact CG2-CG1 3.82Å; V65-V160 HydrophobicContact CG2-CG2 3.74Å
66S98.4Very high97.8Very high0 Ų041.1 Ų41.10%022%0.219CC..Hα-helixtrans-63-37.6177.477.70000112.5I62 C63 R64 L69 L70 K99 N166I62-S66 PolarHBondContact O-N 3.15Å; C63-S66 PolarHBondContact O-N 2.97Å; C63-S66 PolarHBondContact O-OG 2.76Å; R64-S66 VanDerWaalsContact C-N 3.3Å; R64-S66 PolarHBondContact O-N 2.8Å; S66-L69 PolarHBondContact O-N 3.04Å; S66-L70 VanDerWaalsContact O-CG 3.28Å; S66-L70 WeakPolarHBondContact O-CG 3.44Å; S66-L70 PolarHBondContact O-N 2.61Å; S66-L70 VanDerWaalsContact O-N 3.15Å; S66-K99 PolarHBondContact OG-NZ 3.08Å; S66-N166 PolarHBondContact OG-O 3.48Å
67T98.6Very high97.5Very high26 Ų2644.3 Ų44.316%0.1624%0.238CC..Hα-helixtrans-62.1-45.6172-55.50000111.3C63 R64 V65 L69 L70 L71 Q163 S164 N166C63-T67 PolarHBondContact O-N 3.26Å; C63-T67 VanDerWaalsContact O-N 3.15Å; C63-T67 PolarHBondContact O-OG1 3.05Å; R64-T67 WeakPolarHBondContact O-CB 3.37Å; R64-T67 PolarHBondContact O-N 3.13Å; V65-T67 VanDerWaalsContact C-N 3.32Å; V65-T67 PolarHBondContact O-N 2.94Å; T67-L69 VanDerWaalsContact C-N 3.34Å; T67-L69 PolarHBondContact O-N 3.44Å; T67-L70 PolarHBondContact O-N 3.36Å; T67-L71 HydrophobicContact CG2-CD1 4.32Å; T67-L71 WeakPolarHBondContact O-CG 3.36Å; T67-L71 PolarHBondContact O-N 3.32Å; T67-Q163 HydrophobicContact CG2-CB 3.99Å; T67-Q163 HydrophobicContact CG2-CG 4.3Å; T67-S164 WeakPolarHBondContact CB-O 3.2Å; T67-S164 PolarHBondContact OG1-O 2.77Å; T67-N166 WeakPolarHBondContact OG1-CB 3.49Å; T67-N166 PolarHBondContact OG1-N 3.4Å
68Q98.5Very high97.5Very high17 Ų1741 Ų418%0.07922%0.223CC..Hα-helixtrans-62.3-39.9179.6-177.155.528.100112.8R64 V65 L71 S72 L156 Q159 V160 Q163R64-Q68 PolarHBondContact O-N 3.12Å; R64-Q68 VanDerWaalsContact O-N 3.07Å; V65-Q68 PolarHBondContact O-N 2.93Å; V65-Q68 VanDerWaalsContact O-N 3.15Å; Q68-L71 PolarHBondContact O-N 3.38Å; Q68-S72 WeakPolarHBondContact O-CB 3.45Å; Q68-S72 PolarHBondContact O-N 3.05Å; Q68-S72 PolarHBondContact O-OG 2.82Å; Q68-L156 HydrophobicContact CG-CD1 4.14Å; Q68-Q159 HydrophobicContact CG-CB 4.16Å; Q68-Q159 VanDerWaalsContact NE2-OE1 3.09Å; Q68-V160 HydrophobicContact CB-CG2 4.19Å; Q68-V160 HydrophobicContact CG-CG2 4.43Å; Q68-Q163 HydrophobicContact CB-CG 4.05Å
69L98.4Very high97.5Very high1 Ų143 Ų431%0.00523%0.231CC..Hα-helixtrans-64-43.9176.2-70175.9000111.7V65 S66 T67 S72 Q73 V74 V80 L93 A96 I100 L127 F129V65-L69 HydrophobicContact CG1-CD1 4.35Å; V65-L69 HydrophobicContact CG1-CG 4.41Å; V65-L69 WeakPolarHBondContact O-CG 3.39Å; V65-L69 PolarHBondContact O-N 2.98Å; S66-L69 PolarHBondContact O-N 3.04Å; T67-L69 VanDerWaalsContact C-N 3.34Å; T67-L69 PolarHBondContact O-N 3.44Å; L69-S72 CarbonylContact O-C 3.39Å; L69-S72 WeakPolarHBondContact O-CA 3.32Å; L69-S72 WeakPolarHBondContact O-CB 3.33Å; L69-S72 PolarHBondContact O-N 3.13Å; L69-S72 VanDerWaalsContact O-N 3.15Å; L69-Q73 PolarHBondContact O-N 3.44Å; L69-V74 HydrophobicContact CB-CB 4.16Å; L69-V74 HydrophobicContact CB-CG2 4.42Å; L69-V74 HydrophobicContact CD2-CG2 4.25Å; L69-V74 WeakPolarHBondContact O-CB 3.4Å; L69-V74 PolarHBondContact O-N 3.29Å; L69-V80 HydrophobicContact CD2-CG2 4.44Å; L69-L93 HydrophobicContact CD1-CD1 4.2Å; L69-L93 HydrophobicContact CD2-CD1 4.01Å; L69-L93 HydrophobicContact CG-CD1 4.47Å; L69-A96 HydrophobicContact CD1-CB 3.94Å; L69-I100 HydrophobicContact CB-CD1 3.73Å; L69-I100 HydrophobicContact CD1-CD1 4.05Å; L69-L127 HydrophobicContact CD2-CD1 4.09Å; L69-F129 HydrophobicContact CD2-CE2 4.08Å; L69-F129 HydrophobicContact CD2-CZ 4.16Å
70L98Very high97.6Very high69 Ų6941.1 Ų41.136%0.36122%0.222SC..Hα-helixtrans-63.9-40.6177.8-69.5167.4000112.2S66 T67 S72 Q73 I100 N166S66-L70 VanDerWaalsContact O-CG 3.28Å; S66-L70 WeakPolarHBondContact O-CG 3.44Å; S66-L70 PolarHBondContact O-N 2.61Å; S66-L70 VanDerWaalsContact O-N 3.15Å; T67-L70 PolarHBondContact O-N 3.36Å; L70-S72 VanDerWaalsContact C-N 3.26Å; L70-S72 PolarHBondContact O-N 3.25Å; L70-Q73 VanDerWaalsContact O-CA 3.31Å; L70-Q73 WeakPolarHBondContact O-CA 3.3Å; L70-Q73 PolarHBondContact O-N 3.23Å; L70-I100 HydrophobicContact CD1-CG2 4.29Å; L70-I100 HydrophobicContact CD2-CB 4.45Å; L70-I100 HydrophobicContact CD2-CD1 4.32Å; L70-I100 HydrophobicContact CD2-CG2 4.38Å; L70-I100 HydrophobicContact CG-CD1 4.45Å; L70-I100 HydrophobicContact CG-CG2 4.28Å; L70-N166 WeakPolarHBondContact CD1-ND2 3.47Å
71L97.2Very high97.6Very high113 Ų11337.8 Ų37.859%0.59221%0.207SC*.Hα-helixtrans-65-32.1173.5-72.4175.8000112.4T67 Q68 Q73T67-L71 HydrophobicContact CG2-CD1 4.32Å; T67-L71 WeakPolarHBondContact O-CG 3.36Å; T67-L71 PolarHBondContact O-N 3.32Å; Q68-L71 PolarHBondContact O-N 3.38Å; L71-Q73 PolarHBondContact O-N 2.92Å
72S97Very high97.6Very high32 Ų3235.6 Ų35.622%0.22420%0.195CC..THydrogen-bonded Turntrans-77.413.3170.5-50.90000112.5Q68 L69 L70 V74Q68-S72 WeakPolarHBondContact O-CB 3.45Å; Q68-S72 PolarHBondContact O-N 3.05Å; Q68-S72 PolarHBondContact O-OG 2.82Å; L69-S72 CarbonylContact O-C 3.39Å; L69-S72 WeakPolarHBondContact O-CA 3.32Å; L69-S72 WeakPolarHBondContact O-CB 3.33Å; L69-S72 PolarHBondContact O-N 3.13Å; L69-S72 VanDerWaalsContact O-N 3.15Å; L70-S72 VanDerWaalsContact C-N 3.26Å; L70-S72 PolarHBondContact O-N 3.25Å; S72-V74 PolarHBondContact O-N 2.82Å
73Q97.1Very high97.5Very high139 Ų13935.7 Ų35.765%0.6520%0.196SC*.THydrogen-bonded Turntrans59.521.8178.9-54.5177.5-17.800114.3L69 L70 L71 T75 K126L69-Q73 PolarHBondContact O-N 3.44Å; L70-Q73 VanDerWaalsContact O-CA 3.31Å; L70-Q73 WeakPolarHBondContact O-CA 3.3Å; L70-Q73 PolarHBondContact O-N 3.23Å; L71-Q73 PolarHBondContact O-N 2.92Å; Q73-T75 PolarHBondContact O-N 3.21Å; Q73-K126 PolarHBondContact O-NZ 3.2Å
74V98.3Very high97.4Very high0 Ų036.3 Ų36.30%020%0.199CC..  trans-71126.5171.7179.30000108.4L69 S72 D78 V80 I100 A102 K126 L127L69-V74 HydrophobicContact CB-CB 4.16Å; L69-V74 HydrophobicContact CB-CG2 4.42Å; L69-V74 HydrophobicContact CD2-CG2 4.25Å; L69-V74 WeakPolarHBondContact O-CB 3.4Å; L69-V74 PolarHBondContact O-N 3.29Å; S72-V74 PolarHBondContact O-N 2.82Å; V74-D78 HydrophobicContact CG1-CB 3.97Å; V74-V80 HydrophobicContact CG1-CG2 3.72Å; V74-V80 HydrophobicContact CG2-CG2 4.19Å; V74-I100 HydrophobicContact CB-CD1 4.36Å; V74-I100 HydrophobicContact CG1-CD1 4.01Å; V74-A102 HydrophobicContact CG1-CB 3.71Å; V74-K126 HydrophobicContact CG2-CD 4.44Å; V74-L127 HydrophobicContact CG2-CD1 3.52Å; V74-L127 HydrophobicContact CG2-CG 3.99Å
75T94.6Very high97.3Very high79 Ų7935.3 Ų35.349%0.48520%0.2SC..  trans-120.9-179.4-178.762.70000111.3Q73 D78Q73-T75 PolarHBondContact O-N 3.21Å; T75-D78 PolarHBondContact N-OD2 3Å; T75-D78 WeakPolarHBondContact O-CB 3.36Å; T75-D78 PolarHBondContact O-N 2.87Å; T75-D78 PolarHBondContact OG1-OD2 3.06Å
76A93.9Very high97.1Very high46 Ų4636.3 Ų36.338%0.3821%0.205SC..THydrogen-bonded Turntrans-56.4143.4174.400000111D78 G101A76-D78 PolarHBondContact O-N 3.36Å; A76-D78 VanDerWaalsContact O-N 3.12Å; A76-G101 CarbonylContact C-O 3.45Å; A76-G101 VanDerWaalsContact CA-O 3.32Å; A76-G101 WeakPolarHBondContact CA-O 3.22Å
77C91.5Very high97.1Very high85 Ų8538 Ų3857%0.57422%0.216SC*.THydrogen-bonded Turntrans68.4-9.7-176.9-54.50000116.6R79 G101C77-R79 PolarHBondContact O-NH1 3.41Å; C77-G101 PolarHBondContact N-O 2.99Å
78D98.3Very high97Very high33 Ų3339.2 Ų39.218%0.17622%0.22CC..  trans-63.8138.5170-78.1-37.7000110V74 T75 A76 V103V74-D78 HydrophobicContact CG1-CB 3.97Å; T75-D78 PolarHBondContact N-OD2 3Å; T75-D78 WeakPolarHBondContact O-CB 3.36Å; T75-D78 PolarHBondContact O-N 2.87Å; T75-D78 PolarHBondContact OG1-OD2 3.06Å; A76-D78 PolarHBondContact O-N 3.36Å; A76-D78 VanDerWaalsContact O-N 3.12Å; D78-V103 PolarHBondContact O-N 2.96Å
79R98.6Very high97Very high43 Ų4339.8 Ų39.816%0.16222%0.223CC..EExtended strand (participates in β ladder)trans-88.8132175.2-76.972.260.7-145.6-6.5109.7C77 V103 V105 S123 K124 P125 K126 I180C77-R79 PolarHBondContact O-NH1 3.41Å; R79-V103 CarbonylContact C-O 3.55Å; R79-V103 VanDerWaalsContact CA-O 3.31Å; R79-V103 WeakPolarHBondContact CA-O 3.28Å; R79-V103 HydrophobicContact CG-CB 3.91Å; R79-V103 HydrophobicContact CG-CG1 3.95Å; R79-V105 HydrophobicContact CB-CG2 3.91Å; R79-V105 HydrophobicContact CG-CG2 3.88Å; R79-S123 PolarHBondContact NE-O 3.49Å; R79-K124 PolarHBondContact NH2-O 3.4Å; R79-P125 HydrophobicContact CB-CB 4.04Å; R79-P125 CarbonylContact O-C 3.6Å; R79-P125 WeakPolarHBondContact O-CA 3.5Å; R79-P125 WeakPolarHBondContact O-CB 3.39Å; R79-K126 PolarHBondContact O-N 3.18Å; R79-I180 HydrophobicContact CG-CD1 3.92Å
80V98.9Very high97Very high0 Ų039.7 Ų39.70%022%0.223CC..EExtended strand (participates in β ladder)trans-116.4111.3171.31770000107.9L69 V74 L93 C97 V103 V105 L127 F129L69-V80 HydrophobicContact CD2-CG2 4.44Å; V74-V80 HydrophobicContact CG1-CG2 3.72Å; V74-V80 HydrophobicContact CG2-CG2 4.19Å; V80-L93 HydrophobicContact CG1-CD1 4.23Å; V80-C97 VanDerWaalsContact CB-SG 3.59Å; V80-V103 PolarHBondContact N-O 2.88Å; V80-V105 PolarHBondContact O-N 2.85Å; V80-L127 HydrophobicContact CG1-CB 4.48Å; V80-F129 HydrophobicContact CG1-CD2 3.8Å; V80-F129 HydrophobicContact CG1-CE2 3.63Å
81A98.7Very high97Very high0 Ų036.5 Ų36.50%021%0.206CC..EExtended strand (participates in β ladder)trans-89.1145.2178.100000111.3V105 L107 I120 P125 L127 L128 F129A81-V105 WeakPolarHBondContact CA-O 3.34Å; A81-V105 HydrophobicContact CB-CB 4.18Å; A81-L107 HydrophobicContact CB-CD1 4.04Å; A81-I120 HydrophobicContact CB-CD1 4.14Å; A81-P125 HydrophobicContact CB-CB 3.8Å; A81-P125 HydrophobicContact CB-CG 3.81Å; A81-L127 PolarHBondContact N-O 3.38Å; A81-L128 HydrophobicContact CB-CB 4.45Å; A81-L128 HydrophobicContact CB-CD1 3.71Å; A81-L128 CarbonylContact O-C 3.44Å; A81-L128 WeakPolarHBondContact O-CA 3.4Å; A81-F129 PolarHBondContact O-N 2.85Å
82A98.6Very high97.1Very high2 Ų231.1 Ų31.12%0.01718%0.178CC..EExtended strand (participates in β ladder)trans-138.5116.5177.800000110.5L84 L93 Y104 V105 L107A82-L84 HydrophobicContact CB-CD1 4.24Å; A82-L84 HydrophobicContact CB-CG 4.22Å; A82-L93 HydrophobicContact CB-CD2 3.95Å; A82-Y104 HydrophobicContact CB-CE2 3.61Å; A82-Y104 WeakPolarHBondContact CB-OH 3.44Å; A82-V105 PolarHBondContact N-O 2.92Å; A82-L107 PolarHBondContact O-N 3.4Å
83Q96.5Very high97.1Very high1 Ų129.6 Ų29.61%0.00517%0.167CC..  trans-103.457.5168.9-162.2-164.526.400109.3L107 S108 L109 F111 M116 L128 F129 V130 P131 K134 Y138Q83-L107 HydrophobicContact CB-CB 4.38Å; Q83-S108 VanDerWaalsContact CG-O 3.31Å; Q83-S108 WeakPolarHBondContact CG-O 3.47Å; Q83-S108 PolarHBondContact NE2-O 2.83Å; Q83-L109 HydrophobicContact CG-CD2 4.33Å; Q83-L109 WeakPolarHBondContact O-CD2 3.28Å; Q83-F111 PolarHBondContact NE2-O 2.85Å; Q83-M116 HydrophobicContact CB-CE 4.03Å; Q83-M116 HydrophobicContact CG-CE 4.25Å; Q83-M116 HydrophobicContact CG-SD 4.16Å; Q83-L128 HydrophobicContact CB-CD1 4.5Å; Q83-F129 PolarHBondContact N-O 3.37Å; Q83-V130 HydrophobicContact CB-CG1 4.43Å; Q83-P131 VanDerWaalsContact O-CD 3.26Å; Q83-P131 WeakPolarHBondContact O-CD 3.31Å; Q83-K134 VanDerWaalsContact NE2-NZ 3.16Å; Q83-Y138 PolarHBondContact OE1-OH 2.98Å
84L97.5Very high97.2Very high13 Ų1323 Ų237%0.06814%0.136CC..  trans-107.2151.6-168.6-66.9179.2000113.1A82 A90 L93 F129 E153A82-L84 HydrophobicContact CB-CD1 4.24Å; A82-L84 HydrophobicContact CB-CG 4.22Å; L84-A90 HydrophobicContact CB-CB 4.02Å; L84-A90 HydrophobicContact CD1-CB 4.15Å; L84-L93 HydrophobicContact CD1-CD2 3.86Å; L84-F129 HydrophobicContact CD1-CB 3.88Å; L84-F129 HydrophobicContact CD2-CB 4.19Å; L84-F129 HydrophobicContact CG-CB 4.11Å; L84-E153 HydrophobicContact CD2-CB 3.8Å
85P95.2Very high97.2Very high42 Ų4223 Ų2327%0.27314%0.137SC..  trans-63.2156.6165.529.4-35000110.7S87 A90 L109 E153P85-S87 PolarHBondContact O-N 3.43Å; P85-S87 VanDerWaalsContact O-N 3.13Å; P85-A90 WeakPolarHBondContact O-CB 3.48Å; P85-L109 HydrophobicContact CB-CD1 3.91Å; P85-E153 WeakPolarHBondContact CD-OE2 3.02Å; P85-E153 WeakPolarHBondContact CG-OE2 3.49Å
86K96.3Very high97.4Very high22 Ų2219.3 Ų19.310%0.09611%0.113CC..SBendtrans-66.9115.1175.7-173167.262.4-178.30110H221 A222 L223 I225 L247 L248 P249K86-H221 PolarHBondContact NZ-ND1 2.91Å; K86-H221 PolarHBondContact NZ-O 3.42Å; K86-A222 VanDerWaalsContact NZ-C 3.28Å; K86-A222 PolarHBondContact NZ-O 2.98Å; K86-L223 PolarHBondContact NZ-O 2.86Å; K86-I225 HydrophobicContact CB-CD1 4.14Å; K86-I225 HydrophobicContact CB-CG1 4.05Å; K86-I225 HydrophobicContact CD-CG2 3.55Å; K86-I225 HydrophobicContact CG-CD1 4.12Å; K86-I225 HydrophobicContact CG-CG1 4.13Å; K86-I225 HydrophobicContact CG-CG2 3.82Å; K86-L247 HydrophobicContact CD-CD1 3.86Å; K86-L247 HydrophobicContact CG-CD1 4.03Å; K86-L247 HydrophobicContact CG-CG 4.4Å; K86-L248 WeakPolarHBondContact CE-O 3.2Å; K86-L248 PolarHBondContact NZ-O 3.47Å; K86-P249 WeakPolarHBondContact CE-O 3.42Å
87S96.6Very high97.7Very high34 Ų3417.1 Ų17.124%0.23810%0.095CC..SBendtrans-151.1166.2179.170.60000110.7P85 L89 A90 L91P85-S87 PolarHBondContact O-N 3.43Å; P85-S87 VanDerWaalsContact O-N 3.13Å; S87-L89 PolarHBondContact O-N 3.45Å; S87-L89 PolarHBondContact OG-N 3.05Å; S87-A90 PolarHBondContact O-N 3.37Å; S87-A90 PolarHBondContact OG-N 3.14Å; S87-L91 PolarHBondContact O-N 2.89Å; S87-L91 VanDerWaalsContact O-N 3.08Å
88K97.5Very high98Very high52 Ų5213 Ų1323%0.2267%0.068CC..Hα-helixtrans-57.8-38.6171.3-63.7177.8-66.8-159.70110.8F45 T53 F58 L61 L91 A92 L247F45-K88 HydrophobicContact CB-CD 4.35Å; F45-K88 HydrophobicContact CD2-CD 4.48Å; F45-K88 HydrophobicContact CD2-CG 4.22Å; F45-K88 HydrophobicContact CG-CG 4.47Å; T53-K88 HydrophobicContact CG2-CD 4.15Å; T53-K88 WeakPolarHBondContact OG1-CD 3.38Å; T53-K88 PolarHBondContact OG1-NZ 2.82Å; F58-K88 WeakPolarHBondContact CE2-O 3.33Å; L61-K88 HydrophobicContact CD2-CB 4.29Å; K88-L91 PolarHBondContact O-N 2.96Å; K88-A92 VanDerWaalsContact O-CB 3.28Å; K88-A92 WeakPolarHBondContact O-CB 3.23Å; K88-A92 PolarHBondContact O-N 3.11Å; K88-L247 HydrophobicContact CG-CD2 4.4Å
89L97.8Very high98Very high29 Ų2911.5 Ų11.515%0.1526%0.06CC..Hα-helixtrans-66.6-43.7177.8-177.361.2000112.3L61 V65 S87 L91 A92 L93 L156 A157L61-L89 HydrophobicContact CD1-CD1 4.34Å; V65-L89 HydrophobicContact CG2-CD1 3.98Å; S87-L89 PolarHBondContact O-N 3.45Å; S87-L89 PolarHBondContact OG-N 3.05Å; L89-L91 VanDerWaalsContact C-N 3.33Å; L89-L91 PolarHBondContact O-N 3.18Å; L89-A92 PolarHBondContact O-N 3.47Å; L89-L93 WeakPolarHBondContact O-CB 3.36Å; L89-L93 PolarHBondContact O-N 2.84Å; L89-L156 HydrophobicContact CD1-CD2 4.16Å; L89-L156 HydrophobicContact CD1-CG 4.34Å; L89-L156 HydrophobicContact CD2-CD2 4.17Å; L89-L156 HydrophobicContact CD2-CG 4.33Å; L89-L156 HydrophobicContact CG-CD2 4.14Å; L89-A157 HydrophobicContact CD2-CB 3.92Å
90A98.3Very high98Very high0 Ų09.8 Ų9.80%05%0.054CC..Hα-helixtrans-63.2-40.1177.700000111.9L84 P85 S87 L93 C94 I225L84-A90 HydrophobicContact CB-CB 4.02Å; L84-A90 HydrophobicContact CD1-CB 4.15Å; P85-A90 WeakPolarHBondContact O-CB 3.48Å; S87-A90 PolarHBondContact O-N 3.37Å; S87-A90 PolarHBondContact OG-N 3.14Å; A90-L93 PolarHBondContact O-N 2.96Å; A90-C94 PolarHBondContact O-N 3.13Å; A90-C94 VanDerWaalsContact O-N 3.12Å; A90-I225 HydrophobicContact CB-CD1 3.9Å
91L98.5Very high97.9Very high2 Ų210 Ų101%0.016%0.057CC..Hα-helixtrans-69.2-38.3174.9-17062.8000111.8F45 F58 S87 K88 L89 L93 C94 L95 L231 L235 L239F45-L91 HydrophobicContact CE1-CD2 4.02Å; F45-L91 HydrophobicContact CE2-CD2 4.09Å; F45-L91 HydrophobicContact CZ-CD2 3.36Å; F58-L91 HydrophobicContact CE1-CD2 4.23Å; F58-L91 HydrophobicContact CE2-CB 4.47Å; F58-L91 HydrophobicContact CZ-CB 4.08Å; F58-L91 HydrophobicContact CZ-CD2 3.74Å; F58-L91 HydrophobicContact CZ-CG 3.78Å; S87-L91 PolarHBondContact O-N 2.89Å; S87-L91 VanDerWaalsContact O-N 3.08Å; K88-L91 PolarHBondContact O-N 2.96Å; L89-L91 VanDerWaalsContact C-N 3.33Å; L89-L91 PolarHBondContact O-N 3.18Å; L91-L93 VanDerWaalsContact C-N 3.33Å; L91-L93 PolarHBondContact O-N 3.28Å; L91-C94 WeakPolarHBondContact O-CB 3.26Å; L91-C94 PolarHBondContact O-N 3.06Å; L91-L95 WeakPolarHBondContact O-CG 3.46Å; L91-L95 PolarHBondContact O-N 2.99Å; L91-L231 HydrophobicContact CD1-CD1 3.55Å; L91-L235 HydrophobicContact CD1-CB 4.46Å; L91-L235 HydrophobicContact CD1-CD1 4.09Å; L91-L235 HydrophobicContact CD2-CD1 4.25Å; L91-L239 HydrophobicContact CD2-CD1 4.17Å
92A98.6Very high97.9Very high0 Ų010 Ų100%06%0.057CC..Hα-helixtrans-63.5-39.117500000112.1F58 L61 I62 V65 K88 L89 L95 A96F58-A92 HydrophobicContact CE2-CB 3.93Å; L61-A92 HydrophobicContact CD2-CB 3.82Å; L61-A92 HydrophobicContact CG-CB 3.72Å; I62-A92 HydrophobicContact CG1-CB 3.85Å; V65-A92 HydrophobicContact CG2-CB 4.16Å; K88-A92 VanDerWaalsContact O-CB 3.28Å; K88-A92 WeakPolarHBondContact O-CB 3.23Å; K88-A92 PolarHBondContact O-N 3.11Å; L89-A92 PolarHBondContact O-N 3.47Å; A92-L95 PolarHBondContact O-N 2.8Å; A92-A96 WeakPolarHBondContact O-CB 3.45Å; A92-A96 PolarHBondContact O-N 3.18Å
93L98.8Very high97.9Very high0 Ų010.2 Ų10.20%06%0.057CC..Hα-helixtrans-60.1-47.4173.2177.267.2000112V65 L69 V80 A82 L84 L89 A90 L91 L95 A96 C97 Y104 F129V65-L93 HydrophobicContact CG1-CB 4.4Å; V65-L93 HydrophobicContact CG1-CD1 4.02Å; L69-L93 HydrophobicContact CD1-CD1 4.2Å; L69-L93 HydrophobicContact CD2-CD1 4.01Å; L69-L93 HydrophobicContact CG-CD1 4.47Å; V80-L93 HydrophobicContact CG1-CD1 4.23Å; A82-L93 HydrophobicContact CB-CD2 3.95Å; L84-L93 HydrophobicContact CD1-CD2 3.86Å; L89-L93 WeakPolarHBondContact O-CB 3.36Å; L89-L93 PolarHBondContact O-N 2.84Å; A90-L93 PolarHBondContact O-N 2.96Å; L91-L93 VanDerWaalsContact C-N 3.33Å; L91-L93 PolarHBondContact O-N 3.28Å; L93-L95 PolarHBondContact O-N 2.84Å; L93-A96 PolarHBondContact O-N 3.3Å; L93-C97 PolarHBondContact O-N 3.15Å; L93-C97 PolarHBondContact O-SG 3.17Å; L93-Y104 HydrophobicContact CD2-CE2 4.3Å; L93-Y104 HydrophobicContact CG-CE2 4.26Å; L93-F129 HydrophobicContact CD1-CD2 4Å; L93-F129 HydrophobicContact CD1-CE2 3.7Å; L93-F129 HydrophobicContact CD1-CZ 4.28Å; L93-F129 HydrophobicContact CD2-CB 4.07Å; L93-F129 HydrophobicContact CD2-CD2 3.5Å; L93-F129 HydrophobicContact CD2-CE2 4.11Å; L93-F129 HydrophobicContact CD2-CG 3.87Å; L93-F129 HydrophobicContact CG-CD2 4.38Å
94C98.7Very high98Very high0 Ų010.4 Ų10.40%06%0.058CC..Hα-helixtrans-54.8-52.4175.5174.70000111.7A90 L91 A96 C97 M98 Y104A90-C94 PolarHBondContact O-N 3.13Å; A90-C94 VanDerWaalsContact O-N 3.12Å; L91-C94 WeakPolarHBondContact O-CB 3.26Å; L91-C94 PolarHBondContact O-N 3.06Å; C94-A96 PolarHBondContact O-N 3.1Å; C94-C97 WeakPolarHBondContact O-CB 3.31Å; C94-C97 PolarHBondContact O-N 2.83Å; C94-M98 PolarHBondContact O-N 2.93Å; C94-M98 WeakPolarHBondContact SG-CE 3.47Å; C94-Y104 HydrophobicContact CB-CD1 3.87Å; C94-Y104 HydrophobicContact CB-CD2 4.19Å; C94-Y104 HydrophobicContact CB-CE1 3.68Å; C94-Y104 HydrophobicContact CB-CE2 4.02Å; C94-Y104 HydrophobicContact CB-CG 4.11Å; C94-Y104 VanDerWaalsContact SG-CD1 3.51Å
95L98.7Very high98.1Very high1 Ų19.8 Ų9.81%0.0056%0.055CC..Hα-helixtrans-68.6-34.7-178.9-68.7178.6000113Y32 L35 F37 F58 I62 L91 A92 L93 M98 K99 I236 L239Y32-L95 HydrophobicContact CD2-CB 4.32Å; Y32-L95 HydrophobicContact CE2-CB 4.3Å; L35-L95 HydrophobicContact CD1-CD1 4.02Å; L35-L95 HydrophobicContact CD1-CD2 3.58Å; L35-L95 HydrophobicContact CD1-CG 4.37Å; F37-L95 HydrophobicContact CZ-CD1 4.36Å; F58-L95 HydrophobicContact CE1-CD1 3.8Å; F58-L95 HydrophobicContact CZ-CD1 3.95Å; I62-L95 HydrophobicContact CD1-CB 4.11Å; I62-L95 HydrophobicContact CD1-CD1 3.58Å; I62-L95 HydrophobicContact CG1-CB 4.16Å; I62-L95 HydrophobicContact CG1-CD1 4.32Å; I62-L95 HydrophobicContact CG2-CB 4.01Å; L91-L95 WeakPolarHBondContact O-CG 3.46Å; L91-L95 PolarHBondContact O-N 2.99Å; A92-L95 PolarHBondContact O-N 2.8Å; L93-L95 PolarHBondContact O-N 2.84Å; L95-M98 PolarHBondContact O-N 2.94Å; L95-K99 VanDerWaalsContact O-CB 3.23Å; L95-K99 WeakPolarHBondContact O-CB 3.3Å; L95-K99 PolarHBondContact O-N 3.48Å; L95-I236 HydrophobicContact CD2-CD1 3.59Å; L95-I236 HydrophobicContact CG-CD1 4.38Å; L95-L239 HydrophobicContact CD1-CD1 3.89Å
96A98.7Very high98.2Very high0 Ų08.1 Ų8.10%04%0.044CC..Hα-helixtrans-64.9-40.3175.700000111.7I62 V65 L69 A92 L93 C94 K99 I100I62-A96 HydrophobicContact CG2-CB 4.14Å; V65-A96 HydrophobicContact CB-CB 3.87Å; V65-A96 HydrophobicContact CG1-CB 3.64Å; L69-A96 HydrophobicContact CD1-CB 3.94Å; A92-A96 WeakPolarHBondContact O-CB 3.45Å; A92-A96 PolarHBondContact O-N 3.18Å; L93-A96 PolarHBondContact O-N 3.3Å; C94-A96 PolarHBondContact O-N 3.1Å; A96-K99 PolarHBondContact O-N 2.84Å; A96-I100 WeakPolarHBondContact O-CG1 3.49Å; A96-I100 PolarHBondContact O-N 3.14Å
97C98.8Very high98.1Very high0 Ų07.3 Ų7.30%04%0.041CC..Hα-helixtrans-58.1-52.3174.1-66.20000110.4V80 L93 C94 K99 I100 G101 A102V80-C97 VanDerWaalsContact CB-SG 3.59Å; L93-C97 PolarHBondContact O-N 3.15Å; L93-C97 PolarHBondContact O-SG 3.17Å; C94-C97 WeakPolarHBondContact O-CB 3.31Å; C94-C97 PolarHBondContact O-N 2.83Å; C97-K99 VanDerWaalsContact C-N 3.34Å; C97-K99 PolarHBondContact O-N 2.79Å; C97-I100 WeakPolarHBondContact O-CG1 3.2Å; C97-I100 PolarHBondContact O-N 2.78Å; C97-G101 PolarHBondContact O-N 3.41Å; C97-G101 VanDerWaalsContact O-N 3.14Å; C97-A102 CarbonylContact C-O 3.55Å; C97-A102 HydrophobicContact CB-CB 4.14Å; C97-A102 PolarHBondContact O-N 2.99Å
98M98.2Very high97.6Very high0 Ų06 Ų60%03%0.032CC..Hα-helixtrans-61.4-42.5179.7-65.9168.8-171.500111.9N30 L31 C94 L95 I100 G101 A178 A179 H197 L200 F232N30-M98 PolarHBondContact ND2-O 3.44Å; N30-M98 PolarHBondContact OD1-O 2.83Å; L31-M98 HydrophobicContact CD2-SD 3.79Å; C94-M98 PolarHBondContact O-N 2.93Å; C94-M98 WeakPolarHBondContact SG-CE 3.47Å; L95-M98 PolarHBondContact O-N 2.94Å; M98-I100 PolarHBondContact O-N 3.01Å; M98-G101 PolarHBondContact O-N 2.86Å; M98-A178 HydrophobicContact CG-CB 4.24Å; M98-A179 HydrophobicContact CE-CB 4.22Å; M98-H197 PolarHBondContact O-CE1 3.12Å; M98-L200 HydrophobicContact CE-CD1 4.3Å; M98-L200 HydrophobicContact SD-CD1 4.47Å; M98-F232 HydrophobicContact CE-CE1 3.34Å; M98-F232 HydrophobicContact CE-CZ 3.49Å; M98-F232 VanDerWaalsContact CE-CZ 3.49Å; M98-F232 HydrophobicContact SD-CE1 4.2Å
99K98.2Very high97.2Very high0 Ų06.9 Ų6.90%04%0.038CC..Hα-helixtrans-57.2-35.4177.9178.9-179.4171-69.20112.9Y32 I62 S66 L95 A96 C97 N166 S168 M170Y32-K99 HydrophobicContact CD1-CB 4.19Å; Y32-K99 HydrophobicContact CD1-CD 4.08Å; Y32-K99 HydrophobicContact CD1-CG 3.89Å; Y32-K99 HydrophobicContact CD2-CB 3.9Å; Y32-K99 HydrophobicContact CD2-CD 4.43Å; Y32-K99 HydrophobicContact CD2-CG 4.38Å; Y32-K99 HydrophobicContact CE1-CD 3.7Å; Y32-K99 HydrophobicContact CE1-CG 4.04Å; Y32-K99 HydrophobicContact CE2-CB 4.34Å; Y32-K99 HydrophobicContact CE2-CD 4.11Å; Y32-K99 HydrophobicContact CG-CB 3.82Å; Y32-K99 HydrophobicContact CG-CD 4.41Å; Y32-K99 HydrophobicContact CG-CG 4.05Å; I62-K99 HydrophobicContact CG2-CD 4.29Å; S66-K99 PolarHBondContact OG-NZ 3.08Å; L95-K99 VanDerWaalsContact O-CB 3.23Å; L95-K99 WeakPolarHBondContact O-CB 3.3Å; L95-K99 PolarHBondContact O-N 3.48Å; A96-K99 PolarHBondContact O-N 2.84Å; C97-K99 VanDerWaalsContact C-N 3.34Å; C97-K99 PolarHBondContact O-N 2.79Å; K99-N166 WeakPolarHBondContact CE-O 3.4Å; K99-N166 PolarHBondContact NZ-O 3.16Å; K99-S168 WeakPolarHBondContact CE-O 3.24Å; K99-S168 PolarHBondContact NZ-O 2.99Å; K99-M170 VanDerWaalsContact O-CB 3.31Å; K99-M170 WeakPolarHBondContact O-CB 3.15Å; K99-M170 PolarHBondContact O-N 2.73Å
100I98.1Very high96.3Very high7 Ų78.3 Ų8.34%0.0365%0.054CC..THydrogen-bonded Turntrans-95.64.1178.571.6176.4000113.7L69 L70 V74 A96 C97 M98 A102 M170L69-I100 HydrophobicContact CB-CD1 3.73Å; L69-I100 HydrophobicContact CD1-CD1 4.05Å; L70-I100 HydrophobicContact CD1-CG2 4.29Å; L70-I100 HydrophobicContact CD2-CB 4.45Å; L70-I100 HydrophobicContact CD2-CD1 4.32Å; L70-I100 HydrophobicContact CD2-CG2 4.38Å; L70-I100 HydrophobicContact CG-CD1 4.45Å; L70-I100 HydrophobicContact CG-CG2 4.28Å; V74-I100 HydrophobicContact CB-CD1 4.36Å; V74-I100 HydrophobicContact CG1-CD1 4.01Å; A96-I100 WeakPolarHBondContact O-CG1 3.49Å; A96-I100 PolarHBondContact O-N 3.14Å; C97-I100 WeakPolarHBondContact O-CG1 3.2Å; C97-I100 PolarHBondContact O-N 2.78Å; M98-I100 PolarHBondContact O-N 3.01Å; I100-A102 VanDerWaalsContact C-N 3.31Å; I100-A102 HydrophobicContact CD1-CB 4.2Å; I100-A102 HydrophobicContact CG1-CB 3.89Å; I100-M170 WeakPolarHBondContact O-CE 3.37Å
101G98Very high95.5Very high6 Ų610.6 Ų10.66%0.0626%0.064CC..THydrogen-bonded Turntrans77.511.1-178.200000114.6A76 C77 C97 M98A76-G101 CarbonylContact C-O 3.45Å; A76-G101 VanDerWaalsContact CA-O 3.32Å; A76-G101 WeakPolarHBondContact CA-O 3.22Å; C77-G101 PolarHBondContact N-O 2.99Å; C97-G101 PolarHBondContact O-N 3.41Å; C97-G101 VanDerWaalsContact O-N 3.14Å; M98-G101 PolarHBondContact O-N 2.86Å
102A98.6Very high94.6Very high0 Ų019.4 Ų19.40%010%0.097CC..  trans-79.2155.9172.300000110.9V74 C97 I100V74-A102 HydrophobicContact CG1-CB 3.71Å; C97-A102 CarbonylContact C-O 3.55Å; C97-A102 HydrophobicContact CB-CB 4.14Å; C97-A102 PolarHBondContact O-N 2.99Å; I100-A102 VanDerWaalsContact C-N 3.31Å; I100-A102 HydrophobicContact CD1-CB 4.2Å; I100-A102 HydrophobicContact CG1-CB 3.89Å
103V98.8Very high93.9Very high5 Ų521.8 Ų21.83%0.0311%0.11CC..EExtended strand (participates in β ladder)trans-95.3114.7-176.4-179.80000109.8D78 R79 V80 V177 I180D78-V103 PolarHBondContact O-N 2.96Å; R79-V103 CarbonylContact C-O 3.55Å; R79-V103 VanDerWaalsContact CA-O 3.31Å; R79-V103 WeakPolarHBondContact CA-O 3.28Å; R79-V103 HydrophobicContact CG-CB 3.91Å; R79-V103 HydrophobicContact CG-CG1 3.95Å; V80-V103 PolarHBondContact N-O 2.88Å; V103-V177 HydrophobicContact CG1-CG1 3.88Å; V103-V177 HydrophobicContact CG2-CB 4.2Å; V103-V177 HydrophobicContact CG2-CG1 4.22Å; V103-V177 WeakPolarHBondContact CG2-O 3.48Å; V103-I180 HydrophobicContact CG1-CB 4.39Å; V103-I180 HydrophobicContact CG1-CD1 3.83Å; V103-I180 HydrophobicContact CG1-CG1 3.7Å
104Y98.9Very high92.9Very high5 Ų526 Ų262%0.0214%0.14CC..EExtended strand (participates in β ladder)trans-79.7133.2176.9-174.4-114.1000111.8A82 L93 C94 P106 A178 A179 I180 L231A82-Y104 HydrophobicContact CB-CE2 3.61Å; A82-Y104 WeakPolarHBondContact CB-OH 3.44Å; L93-Y104 HydrophobicContact CD2-CE2 4.3Å; L93-Y104 HydrophobicContact CG-CE2 4.26Å; C94-Y104 HydrophobicContact CB-CD1 3.87Å; C94-Y104 HydrophobicContact CB-CD2 4.19Å; C94-Y104 HydrophobicContact CB-CE1 3.68Å; C94-Y104 HydrophobicContact CB-CE2 4.02Å; C94-Y104 HydrophobicContact CB-CG 4.11Å; C94-Y104 VanDerWaalsContact SG-CD1 3.51Å; Y104-P106 HydrophobicContact CD1-CB 4.3Å; Y104-P106 HydrophobicContact CD1-CG 4.14Å; Y104-P106 HydrophobicContact CE1-CB 3.68Å; Y104-P106 HydrophobicContact CE1-CG 4.01Å; Y104-P106 WeakPolarHBondContact O-CD 3.17Å; Y104-A178 PolarHBondContact N-O 3.15Å; Y104-A179 CarbonylContact O-C 3.35Å; Y104-A179 WeakPolarHBondContact O-CA 3.45Å; Y104-A179 WeakPolarHBondContact O-CB 3.47Å; Y104-I180 PolarHBondContact O-N 3.07Å; Y104-L231 HydrophobicContact CD1-CD2 4.27Å; Y104-L231 HydrophobicContact CE1-CD2 3.9Å
105V98.7Very high92.1Very high0 Ų030 Ų300%016%0.158CC..EExtended strand (participates in β ladder)trans-121.589.8178.8-170.40000109.5R79 V80 A81 A82 L107 I180 Y182R79-V105 HydrophobicContact CB-CG2 3.91Å; R79-V105 HydrophobicContact CG-CG2 3.88Å; V80-V105 PolarHBondContact O-N 2.85Å; A81-V105 WeakPolarHBondContact CA-O 3.34Å; A81-V105 HydrophobicContact CB-CB 4.18Å; A82-V105 PolarHBondContact N-O 2.92Å; V105-L107 HydrophobicContact CG1-CD2 4.21Å; V105-L107 HydrophobicContact CG1-CG 4.35Å; V105-I180 HydrophobicContact CG2-CB 4.21Å; V105-Y182 HydrophobicContact CG1-CD2 4.31Å; V105-Y182 HydrophobicContact CG1-CE2 3.79Å
106P97.6Very high91.6Very high7 Ų729.9 Ų29.95%0.04516%0.158CC..EExtended strand (participates in β ladder)trans-70.1130.317623.8-27.4000111.2Y104Y104-P106 HydrophobicContact CD1-CB 4.3Å; Y104-P106 HydrophobicContact CD1-CG 4.14Å; Y104-P106 HydrophobicContact CE1-CB 3.68Å; Y104-P106 HydrophobicContact CE1-CG 4.01Å; Y104-P106 WeakPolarHBondContact O-CD 3.17Å
107L94.2Very high91.2Very high5 Ų533.4 Ų33.43%0.02617%0.171CC..  trans-126.8144.7179.2-63.1176.1000111.1A81 A82 Q83 V105 F111 M116 F119 I120 Y182A81-L107 HydrophobicContact CB-CD1 4.04Å; A82-L107 PolarHBondContact O-N 3.4Å; Q83-L107 HydrophobicContact CB-CB 4.38Å; V105-L107 HydrophobicContact CG1-CD2 4.21Å; V105-L107 HydrophobicContact CG1-CG 4.35Å; L107-F111 HydrophobicContact CB-CD2 4.32Å; L107-F111 HydrophobicContact CD2-CE2 4.36Å; L107-M116 HydrophobicContact CB-CE 4.36Å; L107-M116 HydrophobicContact CB-SD 4.34Å; L107-M116 HydrophobicContact CD1-CE 3.49Å; L107-M116 VanDerWaalsContact CD1-CE 3.49Å; L107-M116 HydrophobicContact CD1-SD 4.14Å; L107-F119 HydrophobicContact CD1-CB 4.16Å; L107-F119 HydrophobicContact CD2-CB 3.79Å; L107-F119 HydrophobicContact CD2-CD1 4.2Å; L107-F119 HydrophobicContact CD2-CD2 4.17Å; L107-F119 HydrophobicContact CD2-CG 3.8Å; L107-I120 HydrophobicContact CD1-CD1 4.13Å; L107-Y182 HydrophobicContact CD2-CD2 3.97Å; L107-Y182 HydrophobicContact CD2-CE2 4.17Å
108S86.6Confident90.7Very high8 Ų836.9 Ų36.96%0.05618%0.184CC..  trans-71.4135.9-175.2-158.60000112.2Q83 A110 F111 D226Q83-S108 VanDerWaalsContact CG-O 3.31Å; Q83-S108 WeakPolarHBondContact CG-O 3.47Å; Q83-S108 PolarHBondContact NE2-O 2.83Å; S108-A110 PolarHBondContact O-N 3.49Å; S108-A110 VanDerWaalsContact O-N 3.16Å; S108-A110 PolarHBondContact OG-N 3.36Å; S108-F111 VanDerWaalsContact N-CD2 3.34Å; S108-F111 VanDerWaalsContact N-CE2 3.29Å; S108-F111 WeakPolarHBondContact O-CB 3.19Å; S108-F111 PolarHBondContact O-N 3.05Å; S108-F111 VanDerWaalsContact O-N 3.1Å; S108-D226 VanDerWaalsContact CA-OD2 3.29Å; S108-D226 WeakPolarHBondContact CA-OD2 3.32Å; S108-D226 WeakPolarHBondContact CB-OD2 3.49Å; S108-D226 PolarHBondContact OG-OD2 3.46Å
109L87.6Confident90.4Very high69 Ų6937.2 Ų37.236%0.36119%0.186SC..THydrogen-bonded Turntrans-59.7-22.1168.1-81.5176.9000113Q83 P85 F111 P131 K134Q83-L109 HydrophobicContact CG-CD2 4.33Å; Q83-L109 WeakPolarHBondContact O-CD2 3.28Å; P85-L109 HydrophobicContact CB-CD1 3.91Å; L109-F111 VanDerWaalsContact C-N 3.28Å; L109-F111 PolarHBondContact O-N 3.12Å; L109-P131 HydrophobicContact CD2-CG 3.58Å; L109-K134 PolarHBondContact O-NZ 2.93Å
110A80Confident90.3Very high59 Ų5937.2 Ų37.249%0.48819%0.186SC..THydrogen-bonded Turntrans-74-18.417800000113.4S108 R112 L495S108-A110 PolarHBondContact O-N 3.49Å; S108-A110 VanDerWaalsContact O-N 3.16Å; S108-A110 PolarHBondContact OG-N 3.36Å; A110-R112 PolarHBondContact O-N 3.27Å; A110-L495 HydrophobicContact CB-CD1 3.59Å
111F80.5Confident90.2Very high48 Ų4839.3 Ų39.321%0.21120%0.201CC..  trans-68.5132.1-178.6-62.5-31.1000111.7Q83 L107 S108 L109 E115 M116 F119Q83-F111 PolarHBondContact NE2-O 2.85Å; L107-F111 HydrophobicContact CB-CD2 4.32Å; L107-F111 HydrophobicContact CD2-CE2 4.36Å; S108-F111 VanDerWaalsContact N-CD2 3.34Å; S108-F111 VanDerWaalsContact N-CE2 3.29Å; S108-F111 WeakPolarHBondContact O-CB 3.19Å; S108-F111 PolarHBondContact O-N 3.05Å; S108-F111 VanDerWaalsContact O-N 3.1Å; L109-F111 VanDerWaalsContact C-N 3.28Å; L109-F111 PolarHBondContact O-N 3.12Å; F111-E115 WeakPolarHBondContact CA-OE2 3.32Å; F111-E115 HydrophobicContact CB-CB 4.15Å; F111-E115 HydrophobicContact CG-CB 4.49Å; F111-M116 HydrophobicContact CB-CG 4.11Å; F111-M116 HydrophobicContact CB-SD 3.77Å; F111-M116 HydrophobicContact CD2-SD 4.15Å; F111-M116 HydrophobicContact CG-SD 4.48Å; F111-F119 HydrophobicContact CD1-CE2 4.12Å; F111-F119 AromaticContact CD2-CD2 3.85Å; F111-F119 HydrophobicContact CD2-CD2 3.85Å; F111-F119 AromaticContact CD2-CE2 3.42Å; F111-F119 HydrophobicContact CD2-CE2 3.42Å; F111-F119 VanDerWaalsContact CD2-CE2 3.42Å; F111-F119 HydrophobicContact CD2-CZ 4.21Å; F111-F119 HydrophobicContact CE1-CE2 4.1Å; F111-F119 HydrophobicContact CE1-CZ 4.21Å; F111-F119 HydrophobicContact CE2-CD2 4.01Å; F111-F119 AromaticContact CE2-CE2 3.38Å; F111-F119 HydrophobicContact CE2-CE2 3.38Å; F111-F119 AromaticContact CE2-CZ 3.68Å; F111-F119 HydrophobicContact CE2-CZ 3.68Å; F111-F119 HydrophobicContact CG-CD2 4.46Å; F111-F119 AromaticContact CG-CE2 3.83Å; F111-F119 HydrophobicContact CG-CE2 3.83Å; F111-F119 AromaticContact CZ-CE2 3.75Å; F111-F119 HydrophobicContact CZ-CE2 3.75Å; F111-F119 AromaticContact CZ-CZ 3.7Å; F111-F119 HydrophobicContact CZ-CZ 3.7Å
112R80.1Confident90Very high187 Ų18740.9 Ų40.971%0.70621%0.208SC*.  trans-80.4164.7172.5-62.6-179.1178.5177.1-1.3110.6A110 S114 E115 M116A110-R112 PolarHBondContact O-N 3.27Å; R112-S114 PolarHBondContact O-N 2.66Å; R112-E115 PolarHBondContact N-OE2 2.87Å; R112-E115 WeakPolarHBondContact O-CB 3.48Å; R112-E115 PolarHBondContact O-N 2.9Å; R112-M116 WeakPolarHBondContact O-CG 3.49Å; R112-M116 PolarHBondContact O-N 3.17Å
113L83.3Confident90Very high50 Ų5040.9 Ų40.926%0.26221%0.208SC..Hα-helixtrans-54.9-37.4-178.5-16968.1000113.5M116 R117 Q137 Y138 F142L113-M116 PolarHBondContact O-N 2.99Å; L113-R117 PolarHBondContact O-N 3.18Å; L113-Q137 WeakPolarHBondContact CD1-O 3.32Å; L113-Q137 WeakPolarHBondContact CD2-O 3.48Å; L113-Y138 HydrophobicContact CD1-CD1 3.76Å; L113-Y138 HydrophobicContact CD1-CE1 3.73Å; L113-Y138 HydrophobicContact CD1-CG 4.32Å; L113-F142 HydrophobicContact CD1-CD2 3.75Å; L113-F142 HydrophobicContact CD1-CE2 3.73Å; L113-F142 HydrophobicContact CD1-CG 4.39Å; L113-F142 HydrophobicContact CD1-CZ 4.38Å; L113-F142 HydrophobicContact CG-CD2 4.05Å; L113-F142 HydrophobicContact CG-CE2 4.16Å
114S77.8Confident89.9Confident89 Ų8947.4 Ų47.462%0.62224%0.236SC*.Hα-helixtrans-65.4-38.8176.154.70000113.2R112 R117R112-S114 PolarHBondContact O-N 2.66Å; S114-R117 WeakPolarHBondContact O-CB 3.47Å
115E81.8Confident89.9Confident83 Ų8347.5 Ų47.539%0.38824%0.237SC..Hα-helixtrans-71.6-40.8174.3-63.7169.1114.700110.4F111 R112 R117 Y118 F119F111-E115 WeakPolarHBondContact CA-OE2 3.32Å; F111-E115 HydrophobicContact CB-CB 4.15Å; F111-E115 HydrophobicContact CG-CB 4.49Å; R112-E115 PolarHBondContact N-OE2 2.87Å; R112-E115 WeakPolarHBondContact O-CB 3.48Å; R112-E115 PolarHBondContact O-N 2.9Å; E115-R117 VanDerWaalsContact C-N 3.3Å; E115-R117 PolarHBondContact O-N 3.06Å; E115-Y118 WeakPolarHBondContact O-CB 3.35Å; E115-Y118 PolarHBondContact O-N 2.91Å; E115-Y118 VanDerWaalsContact O-N 3.15Å; E115-F119 HydrophobicContact CB-CE2 4.2Å; E115-F119 WeakPolarHBondContact O-CD2 3.45Å; E115-F119 WeakPolarHBondContact O-CE2 3.33Å; E115-F119 PolarHBondContact O-N 2.9Å
116M88.5Confident89.8Confident0 Ų050.9 Ų50.90%025%0.252CS..Hα-helixtrans-56.7-43.8174.4-69.8-60.2-63.700111.4Q83 L107 F111 R112 L113 Y118 F119 I120 L128Q83-M116 HydrophobicContact CB-CE 4.03Å; Q83-M116 HydrophobicContact CG-CE 4.25Å; Q83-M116 HydrophobicContact CG-SD 4.16Å; L107-M116 HydrophobicContact CB-CE 4.36Å; L107-M116 HydrophobicContact CB-SD 4.34Å; L107-M116 HydrophobicContact CD1-CE 3.49Å; L107-M116 VanDerWaalsContact CD1-CE 3.49Å; L107-M116 HydrophobicContact CD1-SD 4.14Å; F111-M116 HydrophobicContact CB-CG 4.11Å; F111-M116 HydrophobicContact CB-SD 3.77Å; F111-M116 HydrophobicContact CD2-SD 4.15Å; F111-M116 HydrophobicContact CG-SD 4.48Å; R112-M116 WeakPolarHBondContact O-CG 3.49Å; R112-M116 PolarHBondContact O-N 3.17Å; L113-M116 PolarHBondContact O-N 2.99Å; M116-Y118 VanDerWaalsContact C-N 3.26Å; M116-Y118 PolarHBondContact O-N 3.38Å; M116-F119 PolarHBondContact O-N 3.45Å; M116-I120 HydrophobicContact CE-CD1 4.41Å; M116-I120 VanDerWaalsContact O-CG1 3.3Å; M116-I120 WeakPolarHBondContact O-CG1 3.31Å; M116-I120 PolarHBondContact O-N 3.11Å; M116-L128 HydrophobicContact CE-CD1 4.03Å; M116-L128 HydrophobicContact CE-CD2 4.12Å
117R91.1Very high89.9Confident74 Ų7450.9 Ų50.928%0.27925%0.251SS..Hα-helixtrans-50-46.7175.6-174.7-177.4-61.7-72.26.6112L113 S114 E115 I120 C121 F142 E145L113-R117 PolarHBondContact O-N 3.18Å; S114-R117 WeakPolarHBondContact O-CB 3.47Å; E115-R117 VanDerWaalsContact C-N 3.3Å; E115-R117 PolarHBondContact O-N 3.06Å; R117-I120 PolarHBondContact O-N 2.99Å; R117-C121 VanDerWaalsContact O-CB 3.3Å; R117-C121 WeakPolarHBondContact O-CB 3.45Å; R117-C121 PolarHBondContact O-N 2.93Å; R117-C121 PolarHBondContact O-SG 3.07Å; R117-F142 HydrophobicContact CB-CE2 3.95Å; R117-E145 WeakPolarHBondContact CD-OE1 3.36Å; R117-E145 IonicContact CZ-OE1 3.93Å; R117-E145 IonicContact CZ-OE2 2.63Å; R117-E145 IonicContact NE-OE1 2.59Å; R117-E145 IonicContact NH1-OE1 2.67Å; R117-E145 PolarHBondContact NH1-OE1 2.63Å; R117-E145 IonicContact NH1-OE2 3.97Å; R117-E145 PolarHBondContact NH1-OE2 2.88Å; R117-E145 IonicContact NH2-OE2 3.51Å
118Y88.1Confident90.1Very high72 Ų7250.7 Ų50.728%0.28225%0.25SS..Hα-helixtrans-58.1-51.9176.9168.3-100.7000111.9E115 M116 I120 C121 D122 Y182 S190E115-Y118 WeakPolarHBondContact O-CB 3.35Å; E115-Y118 PolarHBondContact O-N 2.91Å; E115-Y118 VanDerWaalsContact O-N 3.15Å; M116-Y118 VanDerWaalsContact C-N 3.26Å; M116-Y118 PolarHBondContact O-N 3.38Å; Y118-I120 VanDerWaalsContact C-N 3.34Å; Y118-I120 PolarHBondContact O-N 3.06Å; Y118-C121 PolarHBondContact O-N 3.49Å; Y118-D122 WeakPolarHBondContact O-CB 3.44Å; Y118-D122 PolarHBondContact O-N 3.33Å; Y118-Y182 HydrophobicContact CE1-CE1 4.39Å; Y118-S190 WeakPolarHBondContact CE1-O 3.3Å; Y118-S190 PolarHBondContact OH-O 2.85Å
119F91.8Very high90.7Very high7 Ų750.4 Ų50.43%0.03125%0.248CC..Hα-helixtrans-65.9-35.6-176.7-61.4-62.7000113.3L107 F111 E115 M116 S123 Y182L107-F119 HydrophobicContact CD1-CB 4.16Å; L107-F119 HydrophobicContact CD2-CB 3.79Å; L107-F119 HydrophobicContact CD2-CD1 4.2Å; L107-F119 HydrophobicContact CD2-CD2 4.17Å; L107-F119 HydrophobicContact CD2-CG 3.8Å; F111-F119 HydrophobicContact CD1-CE2 4.12Å; F111-F119 AromaticContact CD2-CD2 3.85Å; F111-F119 HydrophobicContact CD2-CD2 3.85Å; F111-F119 AromaticContact CD2-CE2 3.42Å; F111-F119 HydrophobicContact CD2-CE2 3.42Å; F111-F119 VanDerWaalsContact CD2-CE2 3.42Å; F111-F119 HydrophobicContact CD2-CZ 4.21Å; F111-F119 HydrophobicContact CE1-CE2 4.1Å; F111-F119 HydrophobicContact CE1-CZ 4.21Å; F111-F119 HydrophobicContact CE2-CD2 4.01Å; F111-F119 AromaticContact CE2-CE2 3.38Å; F111-F119 HydrophobicContact CE2-CE2 3.38Å; F111-F119 AromaticContact CE2-CZ 3.68Å; F111-F119 HydrophobicContact CE2-CZ 3.68Å; F111-F119 HydrophobicContact CG-CD2 4.46Å; F111-F119 AromaticContact CG-CE2 3.83Å; F111-F119 HydrophobicContact CG-CE2 3.83Å; F111-F119 AromaticContact CZ-CE2 3.75Å; F111-F119 HydrophobicContact CZ-CE2 3.75Å; F111-F119 AromaticContact CZ-CZ 3.7Å; F111-F119 HydrophobicContact CZ-CZ 3.7Å; E115-F119 HydrophobicContact CB-CE2 4.2Å; E115-F119 WeakPolarHBondContact O-CD2 3.45Å; E115-F119 WeakPolarHBondContact O-CE2 3.33Å; E115-F119 PolarHBondContact O-N 2.9Å; M116-F119 PolarHBondContact O-N 3.45Å; F119-S123 WeakPolarHBondContact O-CB 3.22Å; F119-S123 PolarHBondContact O-N 3.29Å; F119-S123 PolarHBondContact O-OG 3.31Å; F119-Y182 HydrophobicContact CB-CE2 4.28Å; F119-Y182 AromaticContact CD1-CD1 3.61Å; F119-Y182 HydrophobicContact CD1-CD1 3.61Å; F119-Y182 AromaticContact CD1-CD2 3.69Å; F119-Y182 HydrophobicContact CD1-CD2 3.69Å; F119-Y182 AromaticContact CD1-CE1 3.68Å; F119-Y182 HydrophobicContact CD1-CE1 3.68Å; F119-Y182 AromaticContact CD1-CE2 3.74Å; F119-Y182 HydrophobicContact CD1-CE2 3.74Å; F119-Y182 AromaticContact CD1-CG 3.6Å; F119-Y182 HydrophobicContact CD1-CG 3.6Å; F119-Y182 AromaticContact CD1-CZ 3.72Å; F119-Y182 AromaticContact CE1-CD1 3.69Å; F119-Y182 HydrophobicContact CE1-CD1 3.69Å; F119-Y182 HydrophobicContact CE1-CD2 4.14Å; F119-Y182 HydrophobicContact CE1-CE1 4.2Å; F119-Y182 AromaticContact CE1-CG 3.64Å; F119-Y182 HydrophobicContact CE1-CG 3.64Å; F119-Y182 HydrophobicContact CG-CE2 4.42Å; F119-Y182 PolarHBondContact O-OH 2.82Å; F119-Y182 VanDerWaalsContact O-OH 3.13Å
120I97.2Very high91.2Very high0 Ų047.1 Ų47.10%023%0.231CC..Hα-helixtrans-73-42.3177.8-58.5-54.6000110.5A81 L107 M116 R117 Y118 D122 K124 P125 L128 F142 T146 V148A81-I120 HydrophobicContact CB-CD1 4.14Å; L107-I120 HydrophobicContact CD1-CD1 4.13Å; M116-I120 HydrophobicContact CE-CD1 4.41Å; M116-I120 VanDerWaalsContact O-CG1 3.3Å; M116-I120 WeakPolarHBondContact O-CG1 3.31Å; M116-I120 PolarHBondContact O-N 3.11Å; R117-I120 PolarHBondContact O-N 2.99Å; Y118-I120 VanDerWaalsContact C-N 3.34Å; Y118-I120 PolarHBondContact O-N 3.06Å; I120-D122 VanDerWaalsContact C-N 3.34Å; I120-D122 PolarHBondContact O-N 3.19Å; I120-K124 WeakPolarHBondContact O-CA 3.26Å; I120-K124 PolarHBondContact O-N 3.17Å; I120-P125 HydrophobicContact CD1-CG 3.62Å; I120-P125 HydrophobicContact CG2-CG 4.07Å; I120-P125 WeakPolarHBondContact O-CD 3.28Å; I120-L128 HydrophobicContact CD1-CB 4.48Å; I120-L128 HydrophobicContact CD1-CD1 4.18Å; I120-L128 HydrophobicContact CD1-CD2 3.93Å; I120-L128 HydrophobicContact CD1-CG 4.41Å; I120-L128 HydrophobicContact CG1-CD2 4.34Å; I120-F142 HydrophobicContact CG1-CZ 4.24Å; I120-T146 HydrophobicContact CB-CG2 4.47Å; I120-T146 HydrophobicContact CG2-CG2 4.06Å; I120-V148 HydrophobicContact CG2-CB 3.87Å; I120-V148 HydrophobicContact CG2-CG1 3.89Å; I120-V148 HydrophobicContact CG2-CG2 4.41Å
121C95Very high92Very high52 Ų5245 Ų4535%0.35121%0.212SC..Hα-helixtrans-66.5-34.1176.4-720000112.9R117 Y118 K124R117-C121 VanDerWaalsContact O-CB 3.3Å; R117-C121 WeakPolarHBondContact O-CB 3.45Å; R117-C121 PolarHBondContact O-N 2.93Å; R117-C121 PolarHBondContact O-SG 3.07Å; Y118-C121 PolarHBondContact O-N 3.49Å; C121-K124 WeakPolarHBondContact O-CE 3.29Å; C121-K124 VanDerWaalsContact O-CG 3.29Å; C121-K124 WeakPolarHBondContact O-CG 3.5Å
122D95Very high92.7Very high38 Ų3844.3 Ų44.320%0.20322%0.215CC..Hα-helixtrans-75-55.8177.9-17371.5000112.1Y118 I120 Y182 W370Y118-D122 WeakPolarHBondContact O-CB 3.44Å; Y118-D122 PolarHBondContact O-N 3.33Å; I120-D122 VanDerWaalsContact C-N 3.34Å; I120-D122 PolarHBondContact O-N 3.19Å; D122-Y182 WeakPolarHBondContact OD2-CE1 3.43Å; D122-Y182 PolarHBondContact OD2-OH 2.93Å; D122-W370 PolarHBondContact O-NE1 3.46Å
123S96.9Very high93.4Very high0 Ų040 Ų400%022%0.219CC..Hα-helixtrans-78.2-19.6-177.261.50000114.4R79 F119 Y182R79-S123 PolarHBondContact NE-O 3.49Å; F119-S123 WeakPolarHBondContact O-CB 3.22Å; F119-S123 PolarHBondContact O-N 3.29Å; F119-S123 PolarHBondContact O-OG 3.31Å; S123-Y182 VanDerWaalsContact CB-OH 3.32Å; S123-Y182 WeakPolarHBondContact CB-OH 3.31Å; S123-Y182 PolarHBondContact N-OH 2.99Å
124K97.1Very high93.8Very high143 Ų14339.3 Ų39.362%0.62221%0.214SC*.  trans46.360.2-178.6-58.3179.4-176.31770112.1R79 I120 C121R79-K124 PolarHBondContact NH2-O 3.4Å; I120-K124 WeakPolarHBondContact O-CA 3.26Å; I120-K124 PolarHBondContact O-N 3.17Å; C121-K124 WeakPolarHBondContact O-CE 3.29Å; C121-K124 VanDerWaalsContact O-CG 3.29Å; C121-K124 WeakPolarHBondContact O-CG 3.5Å
125P98.3Very high94.6Very high7 Ų737.5 Ų37.55%0.04520%0.197CC..  trans-70.6148.4179.731.8-32.9000111.3R79 A81 I120 V148R79-P125 HydrophobicContact CB-CB 4.04Å; R79-P125 CarbonylContact O-C 3.6Å; R79-P125 WeakPolarHBondContact O-CA 3.5Å; R79-P125 WeakPolarHBondContact O-CB 3.39Å; A81-P125 HydrophobicContact CB-CB 3.8Å; A81-P125 HydrophobicContact CB-CG 3.81Å; I120-P125 HydrophobicContact CD1-CG 3.62Å; I120-P125 HydrophobicContact CG2-CG 4.07Å; I120-P125 WeakPolarHBondContact O-CD 3.28Å; P125-V148 HydrophobicContact CG-CG2 3.94Å
126K98.2Very high95.1Very high70 Ų7040.8 Ų40.830%0.30422%0.218SC..SBendtrans-73.8-45.2172.5-176.6167.3-175.9160.30110.4Q73 V74 R79 S149Q73-K126 PolarHBondContact O-NZ 3.2Å; V74-K126 HydrophobicContact CG2-CD 4.44Å; R79-K126 PolarHBondContact O-N 3.18Å; K126-S149 PolarHBondContact O-N 2.65Å; K126-S149 VanDerWaalsContact O-N 3.17Å
127L98.4Very high95.2Very high8 Ų845.1 Ų45.14%0.04224%0.238CC..EExtended strand (participates in β ladder)trans-121141.9178.2-58.6-177.6000110.6L69 V74 V80 A81 F129 S149 I151L69-L127 HydrophobicContact CD2-CD1 4.09Å; V74-L127 HydrophobicContact CG2-CD1 3.52Å; V74-L127 HydrophobicContact CG2-CG 3.99Å; V80-L127 HydrophobicContact CG1-CB 4.48Å; A81-L127 PolarHBondContact N-O 3.38Å; L127-F129 HydrophobicContact CB-CE2 4.01Å; L127-F129 HydrophobicContact CB-CZ 4.47Å; L127-F129 HydrophobicContact CD1-CE2 4.07Å; L127-F129 HydrophobicContact CD1-CZ 3.95Å; L127-S149 CarbonylContact C-O 3.52Å; L127-S149 WeakPolarHBondContact CA-O 3.46Å; L127-I151 HydrophobicContact CD1-CD1 4.41Å; L127-I151 HydrophobicContact CD2-CD1 4.1Å
128L98.6Very high95.4Very high0 Ų042.2 Ų42.20%023%0.227CC..EExtended strand (participates in β ladder)trans-121.2121.8166.7169.563.1000109.1A81 Q83 M116 I120 V130 Y138 V148 S149 V150 I151A81-L128 HydrophobicContact CB-CB 4.45Å; A81-L128 HydrophobicContact CB-CD1 3.71Å; A81-L128 CarbonylContact O-C 3.44Å; A81-L128 WeakPolarHBondContact O-CA 3.4Å; Q83-L128 HydrophobicContact CB-CD1 4.5Å; M116-L128 HydrophobicContact CE-CD1 4.03Å; M116-L128 HydrophobicContact CE-CD2 4.12Å; I120-L128 HydrophobicContact CD1-CB 4.48Å; I120-L128 HydrophobicContact CD1-CD1 4.18Å; I120-L128 HydrophobicContact CD1-CD2 3.93Å; I120-L128 HydrophobicContact CD1-CG 4.41Å; I120-L128 HydrophobicContact CG1-CD2 4.34Å; L128-V130 HydrophobicContact CD1-CG1 4.12Å; L128-V130 HydrophobicContact CD2-CG1 3.97Å; L128-V130 HydrophobicContact CG-CG1 3.73Å; L128-Y138 HydrophobicContact CD2-CD1 4.2Å; L128-Y138 HydrophobicContact CD2-CE1 3.58Å; L128-V148 HydrophobicContact CB-CG2 3.63Å; L128-S149 PolarHBondContact N-O 2.91Å; L128-V150 HydrophobicContact CB-CG2 4.32Å; L128-V150 HydrophobicContact CD2-CG1 4.45Å; L128-V150 HydrophobicContact CD2-CG2 4.13Å; L128-V150 HydrophobicContact CG-CG1 4.44Å; L128-V150 CarbonylContact O-C 3.54Å; L128-V150 WeakPolarHBondContact O-CA 3.46Å; L128-I151 PolarHBondContact O-N 2.93Å
129F98.5Very high95.6Very high2 Ų242.4 Ų42.41%0.00923%0.233CC..EExtended strand (participates in β ladder)trans-96.9131.6173-65.8-82.4000111.4L69 V80 A81 Q83 L84 L93 L127 I151 L156L69-F129 HydrophobicContact CD2-CE2 4.08Å; L69-F129 HydrophobicContact CD2-CZ 4.16Å; V80-F129 HydrophobicContact CG1-CD2 3.8Å; V80-F129 HydrophobicContact CG1-CE2 3.63Å; A81-F129 PolarHBondContact O-N 2.85Å; Q83-F129 PolarHBondContact N-O 3.37Å; L84-F129 HydrophobicContact CD1-CB 3.88Å; L84-F129 HydrophobicContact CD2-CB 4.19Å; L84-F129 HydrophobicContact CG-CB 4.11Å; L93-F129 HydrophobicContact CD1-CD2 4Å; L93-F129 HydrophobicContact CD1-CE2 3.7Å; L93-F129 HydrophobicContact CD1-CZ 4.28Å; L93-F129 HydrophobicContact CD2-CB 4.07Å; L93-F129 HydrophobicContact CD2-CD2 3.5Å; L93-F129 HydrophobicContact CD2-CE2 4.11Å; L93-F129 HydrophobicContact CD2-CG 3.87Å; L93-F129 HydrophobicContact CG-CD2 4.38Å; L127-F129 HydrophobicContact CB-CE2 4.01Å; L127-F129 HydrophobicContact CB-CZ 4.47Å; L127-F129 HydrophobicContact CD1-CE2 4.07Å; L127-F129 HydrophobicContact CD1-CZ 3.95Å; F129-I151 VanDerWaalsContact CA-O 3.29Å; F129-I151 WeakPolarHBondContact CA-O 3.39Å; F129-I151 HydrophobicContact CD1-CB 3.83Å; F129-I151 HydrophobicContact CD1-CG2 4.05Å; F129-I151 HydrophobicContact CE1-CB 3.75Å; F129-I151 HydrophobicContact CE1-CD1 3.98Å; F129-I151 HydrophobicContact CE1-CG1 4.42Å; F129-I151 HydrophobicContact CE1-CG2 3.81Å; F129-I151 HydrophobicContact CZ-CD1 4.24Å; F129-L156 HydrophobicContact CD1-CB 4.13Å; F129-L156 HydrophobicContact CD1-CD2 3.78Å; F129-L156 HydrophobicContact CD1-CG 4.36Å; F129-L156 HydrophobicContact CE1-CB 3.97Å; F129-L156 HydrophobicContact CE1-CD1 3.76Å; F129-L156 HydrophobicContact CE1-CD2 3.79Å; F129-L156 HydrophobicContact CE1-CG 4.03Å; F129-L156 HydrophobicContact CG-CD2 4.38Å; F129-L156 HydrophobicContact CZ-CD1 4.13Å; F129-L156 HydrophobicContact CZ-CD2 4.38Å
130V98.2Very high95.7Very high0 Ų047.7 Ų47.70%026%0.261CS..EExtended strand (participates in β ladder)trans-135.5162.5-176.1-570000111.6Q83 L128 I135 Y138 V150 I151 C152 E153Q83-V130 HydrophobicContact CB-CG1 4.43Å; L128-V130 HydrophobicContact CD1-CG1 4.12Å; L128-V130 HydrophobicContact CD2-CG1 3.97Å; L128-V130 HydrophobicContact CG-CG1 3.73Å; V130-I135 HydrophobicContact CG2-CB 4.48Å; V130-I135 HydrophobicContact CG2-CD1 3.82Å; V130-Y138 HydrophobicContact CB-CE2 4.22Å; V130-Y138 HydrophobicContact CG1-CD2 4.43Å; V130-Y138 HydrophobicContact CG1-CE2 3.65Å; V130-Y138 HydrophobicContact CG2-CE2 4.3Å; V130-V150 HydrophobicContact CB-CG1 4.47Å; V130-V150 HydrophobicContact CG1-CG1 3.94Å; V130-V150 HydrophobicContact CG2-CG1 3.64Å; V130-I151 PolarHBondContact N-O 2.7Å; V130-C152 CarbonylContact O-C 3.59Å; V130-C152 VanDerWaalsContact O-CA 3.25Å; V130-C152 WeakPolarHBondContact O-CA 3.19Å; V130-E153 PolarHBondContact O-N 3.27Å
131P96.9Very high95.5Very high15 Ų1552 Ų5210%0.09728%0.284CS..  trans-66.3149.5172.1-15.332.2000110.1Q83 L109 A133 K134 E153Q83-P131 VanDerWaalsContact O-CD 3.26Å; Q83-P131 WeakPolarHBondContact O-CD 3.31Å; L109-P131 HydrophobicContact CD2-CG 3.58Å; P131-A133 PolarHBondContact O-N 3.43Å; P131-K134 HydrophobicContact CG-CD 4.34Å; P131-K134 HydrophobicContact CG-CG 4.32Å; P131-K134 PolarHBondContact O-N 3.07Å; P131-E153 WeakPolarHBondContact CA-OE1 3.38Å; P131-E153 WeakPolarHBondContact CB-OE1 3.15Å
132A95.3Very high95.5Very high34 Ų3449.5 Ų49.528%0.28127%0.267SS..G310 helixtrans-53.6-41.7177.600000112.1K134 I135 C152 D154A132-K134 PolarHBondContact O-N 2.94Å; A132-I135 VanDerWaalsContact O-CG2 3.25Å; A132-I135 WeakPolarHBondContact O-CG2 3.35Å; A132-I135 PolarHBondContact O-N 3Å; A132-I135 VanDerWaalsContact O-N 3.17Å; A132-C152 HydrophobicContact CB-CB 4.39Å; A132-D154 WeakPolarHBondContact CB-OD2 3.44Å
133A94.6Very high95.5Very high95 Ų9550.1 Ų50.179%0.78527%0.271SS*.G310 helixtrans-64.1-9.6178.400000115.4P131P131-A133 PolarHBondContact O-N 3.43Å
134K92.7Very high95.4Very high37 Ų3758.6 Ų58.616%0.16130%0.302CS..G310 helixtrans-109.1-6.5177.8-64.4-162.5178-167.20113.9Q83 L109 P131 A132 D136 Q137 Y138Q83-K134 VanDerWaalsContact NE2-NZ 3.16Å; L109-K134 PolarHBondContact O-NZ 2.93Å; P131-K134 HydrophobicContact CG-CD 4.34Å; P131-K134 HydrophobicContact CG-CG 4.32Å; P131-K134 PolarHBondContact O-N 3.07Å; A132-K134 PolarHBondContact O-N 2.94Å; K134-D136 VanDerWaalsContact C-N 3.29Å; K134-D136 PolarHBondContact O-N 2.89Å; K134-Q137 WeakPolarHBondContact O-CB 3.22Å; K134-Q137 PolarHBondContact O-N 2.82Å; K134-Y138 HydrophobicContact CB-CE2 4.43Å; K134-Y138 VanDerWaalsContact O-CD2 3.31Å; K134-Y138 WeakPolarHBondContact O-CD2 3.31Å
135I93.7Very high95.3Very high50 Ų5057 Ų5726%0.25630%0.297SS..G310 helixtrans-59-42-170.7-166.861.8000111.9V130 A132 Q137 Y138 V150 C152V130-I135 HydrophobicContact CG2-CB 4.48Å; V130-I135 HydrophobicContact CG2-CD1 3.82Å; A132-I135 VanDerWaalsContact O-CG2 3.25Å; A132-I135 WeakPolarHBondContact O-CG2 3.35Å; A132-I135 PolarHBondContact O-N 3Å; A132-I135 VanDerWaalsContact O-N 3.17Å; I135-Q137 PolarHBondContact O-N 3.31Å; I135-Q137 VanDerWaalsContact O-N 3.12Å; I135-Y138 PolarHBondContact O-N 2.93Å; I135-Y138 VanDerWaalsContact O-N 3.07Å; I135-V150 HydrophobicContact CD1-CB 4.21Å; I135-V150 HydrophobicContact CD1-CG1 3.55Å; I135-C152 HydrophobicContact CB-CB 4.35Å; I135-C152 HydrophobicContact CD1-CB 4.32Å; I135-C152 HydrophobicContact CG1-CB 4.4Å
136D93Very high95.1Very high153 Ų15357.5 Ų57.582%0.81830%0.3SS*.G310 helixtrans-68.5-12.1-178.7-58.4-30.5000113.8K134 Y138K134-D136 VanDerWaalsContact C-N 3.29Å; K134-D136 PolarHBondContact O-N 2.89Å; D136-Y138 PolarHBondContact O-N 2.85Å
137Q91.5Very high95Very high91 Ų9162.9 Ų62.943%0.42532%0.324SS..G310 helixtrans-74.2-17.9174.1-57.7178.916.900111.9L113 K134 I135 D139L113-Q137 WeakPolarHBondContact CD1-O 3.32Å; L113-Q137 WeakPolarHBondContact CD2-O 3.48Å; K134-Q137 WeakPolarHBondContact O-CB 3.22Å; K134-Q137 PolarHBondContact O-N 2.82Å; I135-Q137 PolarHBondContact O-N 3.31Å; I135-Q137 VanDerWaalsContact O-N 3.12Å; Q137-D139 PolarHBondContact O-N 2.62Å
138Y93.6Very high94.9Very high13 Ų1362.7 Ų62.75%0.05132%0.323CS..SBendtrans-98.676-178.7-62.4-89000110.1Q83 L113 L128 V130 K134 I135 D136 F142 V150Q83-Y138 PolarHBondContact OE1-OH 2.98Å; L113-Y138 HydrophobicContact CD1-CD1 3.76Å; L113-Y138 HydrophobicContact CD1-CE1 3.73Å; L113-Y138 HydrophobicContact CD1-CG 4.32Å; L128-Y138 HydrophobicContact CD2-CD1 4.2Å; L128-Y138 HydrophobicContact CD2-CE1 3.58Å; V130-Y138 HydrophobicContact CB-CE2 4.22Å; V130-Y138 HydrophobicContact CG1-CD2 4.43Å; V130-Y138 HydrophobicContact CG1-CE2 3.65Å; V130-Y138 HydrophobicContact CG2-CE2 4.3Å; K134-Y138 HydrophobicContact CB-CE2 4.43Å; K134-Y138 VanDerWaalsContact O-CD2 3.31Å; K134-Y138 WeakPolarHBondContact O-CD2 3.31Å; I135-Y138 PolarHBondContact O-N 2.93Å; I135-Y138 VanDerWaalsContact O-N 3.07Å; D136-Y138 PolarHBondContact O-N 2.85Å; Y138-F142 AromaticContact CD1-CD1 3.74Å; Y138-F142 HydrophobicContact CD1-CD1 3.74Å; Y138-F142 AromaticContact CD1-CE1 3.55Å; Y138-F142 HydrophobicContact CD1-CE1 3.55Å; Y138-F142 HydrophobicContact CD1-CE2 4.5Å; Y138-F142 HydrophobicContact CD1-CG 4.32Å; Y138-F142 AromaticContact CD1-CZ 3.97Å; Y138-F142 HydrophobicContact CD1-CZ 3.97Å; Y138-F142 AromaticContact CE1-CE1 3.99Å; Y138-F142 HydrophobicContact CE1-CE1 3.99Å; Y138-F142 HydrophobicContact CE1-CZ 4.01Å; Y138-V150 HydrophobicContact CD1-CG2 4.19Å; Y138-V150 HydrophobicContact CD2-CG1 4.18Å; Y138-V150 HydrophobicContact CG-CG1 4.21Å; Y138-V150 HydrophobicContact CG-CG2 4.18Å
139D93.1Very high94.9Very high75 Ų7566 Ų6640%0.40135%0.346SS..  trans-69.5168.8-177.375.8-6.3000114Q137 N141 F142 L143Q137-D139 PolarHBondContact O-N 2.62Å; D139-N141 PolarHBondContact O-N 3.42Å; D139-N141 VanDerWaalsContact O-N 3.07Å; D139-N141 WeakPolarHBondContact OD1-CB 3.45Å; D139-N141 PolarHBondContact OD1-N 2.76Å; D139-F142 WeakPolarHBondContact O-CB 3.47Å; D139-F142 PolarHBondContact O-N 3.05Å; D139-F142 WeakPolarHBondContact OD1-CB 3.42Å; D139-F142 PolarHBondContact OD1-N 3.16Å; D139-L143 WeakPolarHBondContact O-CG 3.32Å; D139-L143 PolarHBondContact O-N 3.08Å
140D93.9Very high94.8Very high118 Ų11867.2 Ų67.263%0.63135%0.354SS*.Hα-helixtrans-56.5-27.6179.1-71.2-21.4000113.4R144D140-R144 VanDerWaalsContact O-CB 3.31Å; D140-R144 WeakPolarHBondContact O-CB 3.19Å; D140-R144 VanDerWaalsContact O-CG 3.22Å; D140-R144 WeakPolarHBondContact O-CG 3.39Å; D140-R144 PolarHBondContact O-N 3.46Å; D140-R144 PolarHBondContact O-NE 3.31Å
141N94.1Very high94.8Very high90 Ų9068.7 Ų68.748%0.48136%0.361SS..Hα-helixtrans-70.6-47.4176.1-67-35.7000111D139 L143 R144 E145D139-N141 PolarHBondContact O-N 3.42Å; D139-N141 VanDerWaalsContact O-N 3.07Å; D139-N141 WeakPolarHBondContact OD1-CB 3.45Å; D139-N141 PolarHBondContact OD1-N 2.76Å; N141-L143 VanDerWaalsContact C-N 3.32Å; N141-L143 PolarHBondContact O-N 2.93Å; N141-R144 PolarHBondContact O-N 2.59Å; N141-R144 PolarHBondContact OD1-NH2 3.17Å; N141-E145 WeakPolarHBondContact O-CB 3.38Å; N141-E145 PolarHBondContact O-N 3.28Å
142F93.7Very high94.8Very high0 Ų069.2 Ų69.20%037%0.365CS..Hα-helixtrans-58-45.6173.9-173.6-80.2000111L113 R117 I120 Y138 D139 E145 T146 V148L113-F142 HydrophobicContact CD1-CD2 3.75Å; L113-F142 HydrophobicContact CD1-CE2 3.73Å; L113-F142 HydrophobicContact CD1-CG 4.39Å; L113-F142 HydrophobicContact CD1-CZ 4.38Å; L113-F142 HydrophobicContact CG-CD2 4.05Å; L113-F142 HydrophobicContact CG-CE2 4.16Å; R117-F142 HydrophobicContact CB-CE2 3.95Å; I120-F142 HydrophobicContact CG1-CZ 4.24Å; Y138-F142 AromaticContact CD1-CD1 3.74Å; Y138-F142 HydrophobicContact CD1-CD1 3.74Å; Y138-F142 AromaticContact CD1-CE1 3.55Å; Y138-F142 HydrophobicContact CD1-CE1 3.55Å; Y138-F142 HydrophobicContact CD1-CE2 4.5Å; Y138-F142 HydrophobicContact CD1-CG 4.32Å; Y138-F142 AromaticContact CD1-CZ 3.97Å; Y138-F142 HydrophobicContact CD1-CZ 3.97Å; Y138-F142 AromaticContact CE1-CE1 3.99Å; Y138-F142 HydrophobicContact CE1-CE1 3.99Å; Y138-F142 HydrophobicContact CE1-CZ 4.01Å; D139-F142 WeakPolarHBondContact O-CB 3.47Å; D139-F142 PolarHBondContact O-N 3.05Å; D139-F142 WeakPolarHBondContact OD1-CB 3.42Å; D139-F142 PolarHBondContact OD1-N 3.16Å; F142-E145 PolarHBondContact O-N 3.08Å; F142-T146 HydrophobicContact CD1-CG2 4.13Å; F142-T146 HydrophobicContact CE1-CG2 3.79Å; F142-T146 WeakPolarHBondContact CE1-OG1 3.32Å; F142-T146 HydrophobicContact CE2-CG2 4.25Å; F142-T146 HydrophobicContact CG-CG2 4.47Å; F142-T146 HydrophobicContact CZ-CG2 3.87Å; F142-T146 WeakPolarHBondContact O-CB 3.3Å; F142-T146 WeakPolarHBondContact O-CG2 3.5Å; F142-T146 PolarHBondContact O-N 2.95Å; F142-T146 PolarHBondContact O-OG1 2.63Å; F142-V148 HydrophobicContact CE1-CG1 4.12Å
143L95.4Very high94.9Very high52 Ų5269.5 Ų69.527%0.27236%0.36SS..Hα-helixtrans-65-42.9-179.7-60.8-178.5000112.1D139 N141 K147 V148 V150D139-L143 WeakPolarHBondContact O-CG 3.32Å; D139-L143 PolarHBondContact O-N 3.08Å; N141-L143 VanDerWaalsContact C-N 3.32Å; N141-L143 PolarHBondContact O-N 2.93Å; L143-K147 VanDerWaalsContact O-CA 3.22Å; L143-K147 WeakPolarHBondContact O-CA 3.3Å; L143-K147 PolarHBondContact O-N 3.18Å; L143-V148 HydrophobicContact CD2-CG1 4.46Å; L143-V150 HydrophobicContact CD2-CB 4.3Å; L143-V150 HydrophobicContact CD2-CG2 3.5Å; L143-V150 VanDerWaalsContact CD2-CG2 3.5Å
144R94.9Very high95Very high177 Ų17769.5 Ų69.567%0.66835%0.347SS*.Hα-helixtrans-64.8-41.2176.8-77.5-175.3-67.6-164.12.6112.7D140 N141D140-R144 VanDerWaalsContact O-CB 3.31Å; D140-R144 WeakPolarHBondContact O-CB 3.19Å; D140-R144 VanDerWaalsContact O-CG 3.22Å; D140-R144 WeakPolarHBondContact O-CG 3.39Å; D140-R144 PolarHBondContact O-N 3.46Å; D140-R144 PolarHBondContact O-NE 3.31Å; N141-R144 PolarHBondContact O-N 2.59Å; N141-R144 PolarHBondContact OD1-NH2 3.17Å
145E94Very high95.2Very high110 Ų11069.4 Ų69.451%0.51435%0.353SS..Hα-helixtrans-68.5-47.6-180-173.9-173.613400111.9R117 N141 F142R117-E145 WeakPolarHBondContact CD-OE1 3.36Å; R117-E145 IonicContact CZ-OE1 3.93Å; R117-E145 IonicContact CZ-OE2 2.63Å; R117-E145 IonicContact NE-OE1 2.59Å; R117-E145 IonicContact NH1-OE1 2.67Å; R117-E145 PolarHBondContact NH1-OE1 2.63Å; R117-E145 IonicContact NH1-OE2 3.97Å; R117-E145 PolarHBondContact NH1-OE2 2.88Å; R117-E145 IonicContact NH2-OE2 3.51Å; N141-E145 WeakPolarHBondContact O-CB 3.38Å; N141-E145 PolarHBondContact O-N 3.28Å; F142-E145 PolarHBondContact O-N 3.08Å
146T95.5Very high95.4Very high18 Ų1867 Ų6711%0.1134%0.341CS..Hα-helixtrans-89.5-19.5-172.762.70000114I120 F142 V148I120-T146 HydrophobicContact CB-CG2 4.47Å; I120-T146 HydrophobicContact CG2-CG2 4.06Å; F142-T146 HydrophobicContact CD1-CG2 4.13Å; F142-T146 HydrophobicContact CE1-CG2 3.79Å; F142-T146 WeakPolarHBondContact CE1-OG1 3.32Å; F142-T146 HydrophobicContact CE2-CG2 4.25Å; F142-T146 HydrophobicContact CG-CG2 4.47Å; F142-T146 HydrophobicContact CZ-CG2 3.87Å; F142-T146 WeakPolarHBondContact O-CB 3.3Å; F142-T146 WeakPolarHBondContact O-CG2 3.5Å; F142-T146 PolarHBondContact O-N 2.95Å; F142-T146 PolarHBondContact O-OG1 2.63Å; T146-V148 PolarHBondContact O-N 3.06Å; T146-V148 VanDerWaalsContact O-N 3.15Å; T146-V148 WeakPolarHBondContact OG1-CG1 3.21Å
147K95.3Very high95.6Very high182 Ų18261.2 Ų61.279%0.79131%0.314SS*.  trans5915.2-177-53.3-178.5-179.6-178.40114.9L143L143-K147 VanDerWaalsContact O-CA 3.22Å; L143-K147 WeakPolarHBondContact O-CA 3.3Å; L143-K147 PolarHBondContact O-N 3.18Å
148V97.4Very high95.9Very high5 Ų560.9 Ų60.93%0.0332%0.318CS..PPolyproline II helixtrans-80.6143.2176.371.40000110.4I120 P125 L128 F142 L143 T146 V150I120-V148 HydrophobicContact CG2-CB 3.87Å; I120-V148 HydrophobicContact CG2-CG1 3.89Å; I120-V148 HydrophobicContact CG2-CG2 4.41Å; P125-V148 HydrophobicContact CG-CG2 3.94Å; L128-V148 HydrophobicContact CB-CG2 3.63Å; F142-V148 HydrophobicContact CE1-CG1 4.12Å; L143-V148 HydrophobicContact CD2-CG1 4.46Å; T146-V148 PolarHBondContact O-N 3.06Å; T146-V148 VanDerWaalsContact O-N 3.15Å; T146-V148 WeakPolarHBondContact OG1-CG1 3.21Å; V148-V150 HydrophobicContact CG1-CG2 3.87Å
149S97.4Very high96.1Very high69 Ų6963.1 Ų63.148%0.48333%0.329SS..EExtended strand (participates in β ladder)trans-90.6121.3166-56.80000109.9K126 L127 L128K126-S149 PolarHBondContact O-N 2.65Å; K126-S149 VanDerWaalsContact O-N 3.17Å; L127-S149 CarbonylContact C-O 3.52Å; L127-S149 WeakPolarHBondContact CA-O 3.46Å; L128-S149 PolarHBondContact N-O 2.91Å
150V97.8Very high96.3Very high28 Ų2859.8 Ų59.817%0.1731%0.311CS..EExtended strand (participates in β ladder)trans-98.8130.6-178.9-171.10000109.9L128 V130 I135 Y138 L143 V148L128-V150 HydrophobicContact CB-CG2 4.32Å; L128-V150 HydrophobicContact CD2-CG1 4.45Å; L128-V150 HydrophobicContact CD2-CG2 4.13Å; L128-V150 HydrophobicContact CG-CG1 4.44Å; L128-V150 CarbonylContact O-C 3.54Å; L128-V150 WeakPolarHBondContact O-CA 3.46Å; V130-V150 HydrophobicContact CB-CG1 4.47Å; V130-V150 HydrophobicContact CG1-CG1 3.94Å; V130-V150 HydrophobicContact CG2-CG1 3.64Å; I135-V150 HydrophobicContact CD1-CB 4.21Å; I135-V150 HydrophobicContact CD1-CG1 3.55Å; Y138-V150 HydrophobicContact CD1-CG2 4.19Å; Y138-V150 HydrophobicContact CD2-CG1 4.18Å; Y138-V150 HydrophobicContact CG-CG1 4.21Å; Y138-V150 HydrophobicContact CG-CG2 4.18Å; L143-V150 HydrophobicContact CD2-CB 4.3Å; L143-V150 HydrophobicContact CD2-CG2 3.5Å; L143-V150 VanDerWaalsContact CD2-CG2 3.5Å; V148-V150 HydrophobicContact CG1-CG2 3.87Å
151I97.6Very high96.5Very high31 Ų3162 Ų6216%0.15932%0.316CS..EExtended strand (participates in β ladder)trans-127.4131.8179.5-57.7173.8000108.2L127 L128 F129 V130 A155L127-I151 HydrophobicContact CD1-CD1 4.41Å; L127-I151 HydrophobicContact CD2-CD1 4.1Å; L128-I151 PolarHBondContact O-N 2.93Å; F129-I151 VanDerWaalsContact CA-O 3.29Å; F129-I151 WeakPolarHBondContact CA-O 3.39Å; F129-I151 HydrophobicContact CD1-CB 3.83Å; F129-I151 HydrophobicContact CD1-CG2 4.05Å; F129-I151 HydrophobicContact CE1-CB 3.75Å; F129-I151 HydrophobicContact CE1-CD1 3.98Å; F129-I151 HydrophobicContact CE1-CG1 4.42Å; F129-I151 HydrophobicContact CE1-CG2 3.81Å; F129-I151 HydrophobicContact CZ-CD1 4.24Å; V130-I151 PolarHBondContact N-O 2.7Å; I151-A155 HydrophobicContact CG2-CB 4.11Å
152C97.3Very high96.6Very high26 Ų2664.6 Ų64.618%0.17633%0.325CS..EExtended strand (participates in β ladder)trans-77.6154.1174.368.50000112V130 A132 I135 D154 A155 L156V130-C152 CarbonylContact O-C 3.59Å; V130-C152 VanDerWaalsContact O-CA 3.25Å; V130-C152 WeakPolarHBondContact O-CA 3.19Å; A132-C152 HydrophobicContact CB-CB 4.39Å; I135-C152 HydrophobicContact CB-CB 4.35Å; I135-C152 HydrophobicContact CD1-CB 4.32Å; I135-C152 HydrophobicContact CG1-CB 4.4Å; C152-D154 VanDerWaalsContact C-N 3.29Å; C152-D154 PolarHBondContact O-N 3.04Å; C152-A155 PolarHBondContact O-N 3.48Å; C152-A155 VanDerWaalsContact SG-CB 3.55Å; C152-L156 PolarHBondContact O-N 2.92Å; C152-L156 VanDerWaalsContact O-N 3.09Å
153E96.6Very high96.7Very high39 Ų3966.1 Ų66.118%0.18233%0.332CS..Hα-helixtrans-61.7-33.3-177.469.8-171150.500113.9L84 P85 V130 P131 L156 A157L84-E153 HydrophobicContact CD2-CB 3.8Å; P85-E153 WeakPolarHBondContact CD-OE2 3.02Å; P85-E153 WeakPolarHBondContact CG-OE2 3.49Å; V130-E153 PolarHBondContact O-N 3.27Å; P131-E153 WeakPolarHBondContact CA-OE1 3.38Å; P131-E153 WeakPolarHBondContact CB-OE1 3.15Å; E153-L156 WeakPolarHBondContact O-CB 3.39Å; E153-L156 PolarHBondContact O-N 3.42Å; E153-A157 WeakPolarHBondContact O-CB 3.45Å; E153-A157 PolarHBondContact O-N 3.08Å
154D97Very high96.9Very high96 Ų9668 Ų6851%0.51335%0.349SS..Hα-helixtrans-66.8-42.5177.2-68-18.1000111.5A132 C152 L156 A157 V158A132-D154 WeakPolarHBondContact CB-OD2 3.44Å; C152-D154 VanDerWaalsContact C-N 3.29Å; C152-D154 PolarHBondContact O-N 3.04Å; D154-L156 VanDerWaalsContact C-N 3.35Å; D154-A157 PolarHBondContact O-N 2.96Å; D154-V158 WeakPolarHBondContact O-CG2 3.38Å; D154-V158 PolarHBondContact O-N 2.99Å
155A97.2Very high97Very high35 Ų3561.5 Ų61.529%0.28933%0.33SS..Hα-helixtrans-62.8-43.2174.700000110.9I151 C152 A157 V158 Q159I151-A155 HydrophobicContact CG2-CB 4.11Å; C152-A155 PolarHBondContact O-N 3.48Å; C152-A155 VanDerWaalsContact SG-CB 3.55Å; A155-A157 VanDerWaalsContact C-N 3.34Å; A155-A157 PolarHBondContact O-N 3.44Å; A155-V158 PolarHBondContact O-N 3.19Å; A155-Q159 WeakPolarHBondContact O-CB 3.5Å; A155-Q159 WeakPolarHBondContact O-CG 3.13Å; A155-Q159 PolarHBondContact O-N 2.91Å
156L97.4Very high97.1Very high0 Ų058.3 Ų58.30%032%0.316CS..Hα-helixtrans-58.9-45.9173.2176.564.4000111Q68 L89 F129 C152 E153 D154 V158 Q159 V160Q68-L156 HydrophobicContact CG-CD1 4.14Å; L89-L156 HydrophobicContact CD1-CD2 4.16Å; L89-L156 HydrophobicContact CD1-CG 4.34Å; L89-L156 HydrophobicContact CD2-CD2 4.17Å; L89-L156 HydrophobicContact CD2-CG 4.33Å; L89-L156 HydrophobicContact CG-CD2 4.14Å; F129-L156 HydrophobicContact CD1-CB 4.13Å; F129-L156 HydrophobicContact CD1-CD2 3.78Å; F129-L156 HydrophobicContact CD1-CG 4.36Å; F129-L156 HydrophobicContact CE1-CB 3.97Å; F129-L156 HydrophobicContact CE1-CD1 3.76Å; F129-L156 HydrophobicContact CE1-CD2 3.79Å; F129-L156 HydrophobicContact CE1-CG 4.03Å; F129-L156 HydrophobicContact CG-CD2 4.38Å; F129-L156 HydrophobicContact CZ-CD1 4.13Å; F129-L156 HydrophobicContact CZ-CD2 4.38Å; C152-L156 PolarHBondContact O-N 2.92Å; C152-L156 VanDerWaalsContact O-N 3.09Å; E153-L156 WeakPolarHBondContact O-CB 3.39Å; E153-L156 PolarHBondContact O-N 3.42Å; D154-L156 VanDerWaalsContact C-N 3.35Å; L156-V158 VanDerWaalsContact C-N 3.35Å; L156-V158 PolarHBondContact O-N 2.77Å; L156-Q159 PolarHBondContact O-N 3.33Å; L156-V160 HydrophobicContact CD1-CG2 3.65Å; L156-V160 HydrophobicContact CG-CG2 4.1Å; L156-V160 WeakPolarHBondContact O-CB 3.49Å; L156-V160 WeakPolarHBondContact O-CG2 3.1Å; L156-V160 PolarHBondContact O-N 3.29Å
157A97.6Very high97.1Very high30 Ų3063.5 Ų63.525%0.24834%0.335CS..Hα-helixtrans-61-41.5-179.600000112.5L89 E153 D154 A155 K161L89-A157 HydrophobicContact CD2-CB 3.92Å; E153-A157 WeakPolarHBondContact O-CB 3.45Å; E153-A157 PolarHBondContact O-N 3.08Å; D154-A157 PolarHBondContact O-N 2.96Å; A155-A157 VanDerWaalsContact C-N 3.34Å; A155-A157 PolarHBondContact O-N 3.44Å; A157-K161 WeakPolarHBondContact O-CG 3.45Å; A157-K161 PolarHBondContact O-N 3.39Å
158V97.8Very high97.2Very high84 Ų8458.3 Ų58.351%0.50932%0.321SS..Hα-helixtrans-65.6-48.6175.7172.30000111D154 A155 L156 V160 K161D154-V158 WeakPolarHBondContact O-CG2 3.38Å; D154-V158 PolarHBondContact O-N 2.99Å; A155-V158 PolarHBondContact O-N 3.19Å; L156-V158 VanDerWaalsContact C-N 3.35Å; L156-V158 PolarHBondContact O-N 2.77Å; V158-V160 PolarHBondContact O-N 2.87Å; V158-K161 PolarHBondContact O-N 3.4Å
159Q97.5Very high97.2Very high61 Ų6159.8 Ų59.829%0.28533%0.33SS..Hα-helixtrans-60.6-44.5-179.4-72.6168.4-11.200112Q68 A155 L156 K161 Q162 Q163Q68-Q159 HydrophobicContact CG-CB 4.16Å; Q68-Q159 VanDerWaalsContact NE2-OE1 3.09Å; A155-Q159 WeakPolarHBondContact O-CB 3.5Å; A155-Q159 WeakPolarHBondContact O-CG 3.13Å; A155-Q159 PolarHBondContact O-N 2.91Å; L156-Q159 PolarHBondContact O-N 3.33Å; Q159-K161 VanDerWaalsContact C-N 3.34Å; Q159-K161 PolarHBondContact O-N 3.3Å; Q159-Q162 WeakPolarHBondContact O-CB 3.4Å; Q159-Q162 PolarHBondContact O-N 3.02Å; Q159-Q162 VanDerWaalsContact O-N 3.12Å; Q159-Q163 WeakPolarHBondContact O-CG 3.18Å; Q159-Q163 PolarHBondContact O-N 3.26Å; Q159-Q163 PolarHBondContact O-NE2 3.15Å; Q159-Q163 VanDerWaalsContact O-NE2 3.17Å
160V97.7Very high97.2Very high4 Ų460 Ų602%0.02432%0.324CS..Hα-helixtrans-62.8-38.1-178.7167.80000112.1L61 R64 V65 Q68 L156 V158 Q162 Q163L61-V160 HydrophobicContact CD1-CG1 3.79Å; R64-V160 HydrophobicContact CB-CG1 3.75Å; V65-V160 HydrophobicContact CB-CG2 4.36Å; V65-V160 HydrophobicContact CG2-CB 4.46Å; V65-V160 HydrophobicContact CG2-CG1 3.82Å; V65-V160 HydrophobicContact CG2-CG2 3.74Å; Q68-V160 HydrophobicContact CB-CG2 4.19Å; Q68-V160 HydrophobicContact CG-CG2 4.43Å; L156-V160 HydrophobicContact CD1-CG2 3.65Å; L156-V160 HydrophobicContact CG-CG2 4.1Å; L156-V160 WeakPolarHBondContact O-CB 3.49Å; L156-V160 WeakPolarHBondContact O-CG2 3.1Å; L156-V160 PolarHBondContact O-N 3.29Å; V158-V160 PolarHBondContact O-N 2.87Å; V160-Q162 PolarHBondContact O-N 2.82Å; V160-Q163 PolarHBondContact O-N 3.17Å; V160-Q163 VanDerWaalsContact O-N 3.15Å
161K96.7Very high97.2Very high166 Ų16662 Ų6272%0.72234%0.339SS*.Hα-helixtrans-61-27.7176.5-75.3174.9-178.6-179.90112.7A157 V158 Q159A157-K161 WeakPolarHBondContact O-CG 3.45Å; A157-K161 PolarHBondContact O-N 3.39Å; V158-K161 PolarHBondContact O-N 3.4Å; Q159-K161 VanDerWaalsContact C-N 3.34Å; Q159-K161 PolarHBondContact O-N 3.3Å
162Q96.2Very high97.2Very high144 Ų14460.8 Ų60.867%0.67333%0.332SS*.Hα-helixtrans-85.6-13.8-179.7-61.9174.3-7.100113.3Q159 V160Q159-Q162 WeakPolarHBondContact O-CB 3.4Å; Q159-Q162 PolarHBondContact O-N 3.02Å; Q159-Q162 VanDerWaalsContact O-N 3.12Å; V160-Q162 PolarHBondContact O-N 2.82Å
163Q97.7Very high97.2Very high32 Ų3262.7 Ų62.715%0.1534%0.339CS..SBendtrans-86.4142.2-175.4-59.2-41.2-47.900112.8R64 T67 Q68 Q159 V160R64-Q163 HydrophobicContact CB-CB 4.41Å; R64-Q163 WeakPolarHBondContact CD-O 3.3Å; R64-Q163 WeakPolarHBondContact CG-O 3.26Å; R64-Q163 PolarHBondContact NH1-O 3.19Å; T67-Q163 HydrophobicContact CG2-CB 3.99Å; T67-Q163 HydrophobicContact CG2-CG 4.3Å; Q68-Q163 HydrophobicContact CB-CG 4.05Å; Q159-Q163 WeakPolarHBondContact O-CG 3.18Å; Q159-Q163 PolarHBondContact O-N 3.26Å; Q159-Q163 PolarHBondContact O-NE2 3.15Å; Q159-Q163 VanDerWaalsContact O-NE2 3.17Å; V160-Q163 PolarHBondContact O-N 3.17Å; V160-Q163 VanDerWaalsContact O-N 3.15Å
164S97.6Very high97.2Very high91 Ų9162.8 Ų62.864%0.63634%0.339SS*.PPolyproline II helixtrans-73.7143.6166-66.90000111T67 N166T67-S164 WeakPolarHBondContact CB-O 3.2Å; T67-S164 PolarHBondContact OG1-O 2.77Å; S164-N166 PolarHBondContact O-N 2.71Å
165P97.7Very high97.2Very high40 Ų4062.8 Ų62.826%0.2634%0.339SS..PPolyproline II helixtrans-69.4129.6-179.327.8-34.1000111.8E60 C63 R64 Y167E60-P165 HydrophobicContact CG-CB 4.34Å; E60-P165 HydrophobicContact CG-CG 4.49Å; C63-P165 HydrophobicContact CB-CB 3.53Å; R64-P165 HydrophobicContact CG-CB 4.11Å; P165-Y167 HydrophobicContact CB-CE2 3.77Å; P165-Y167 HydrophobicContact CG-CE2 3.74Å
166N96.4Very high97.3Very high44 Ų4463.5 Ų63.524%0.23534%0.338CS..PPolyproline II helixtrans-98.7117168.4177.72.7000110.1C63 S66 T67 L70 K99 S164 S168C63-N166 WeakPolarHBondContact CB-O 3.19Å; C63-N166 PolarHBondContact O-N 3.25Å; C63-N166 PolarHBondContact SG-O 3.15Å; S66-N166 PolarHBondContact OG-O 3.48Å; T67-N166 WeakPolarHBondContact OG1-CB 3.49Å; T67-N166 PolarHBondContact OG1-N 3.4Å; L70-N166 WeakPolarHBondContact CD1-ND2 3.47Å; K99-N166 WeakPolarHBondContact CE-O 3.4Å; K99-N166 PolarHBondContact NZ-O 3.16Å; S164-N166 PolarHBondContact O-N 2.71Å; N166-S168 VanDerWaalsContact CG-OG 3.29Å; N166-S168 PolarHBondContact ND2-OG 3.41Å; N166-S168 WeakPolarHBondContact OD1-CB 3.37Å; N166-S168 PolarHBondContact OD1-N 3.15Å; N166-S168 PolarHBondContact OD1-OG 3.26Å
167Y96.4Very high97.3Very high126 Ų12664.7 Ų64.749%0.49435%0.345SS..  trans-91.8-3.7-179.2-64.7-79.6000114.6H59 C63 P165H59-Y167 AromaticContact CE1-CD1 3.67Å; H59-Y167 AromaticContact CE1-CE1 3.8Å; H59-Y167 AromaticContact NE2-CD1 3.52Å; H59-Y167 AromaticContact NE2-CE1 3.83Å; C63-Y167 HydrophobicContact CB-CD1 4.37Å; C63-Y167 HydrophobicContact CB-CE1 4.26Å; C63-Y167 WeakPolarHBondContact SG-CD1 3.38Å; P165-Y167 HydrophobicContact CB-CE2 3.77Å; P165-Y167 HydrophobicContact CG-CE2 3.74Å
168S96.7Very high97.4Very high73 Ų7363.2 Ų63.251%0.5133%0.333SS..  trans-65.9138.9179.2620000112.3K99 N166K99-S168 WeakPolarHBondContact CE-O 3.24Å; K99-S168 PolarHBondContact NZ-O 2.99Å; N166-S168 VanDerWaalsContact CG-OG 3.29Å; N166-S168 PolarHBondContact ND2-OG 3.41Å; N166-S168 WeakPolarHBondContact OD1-CB 3.37Å; N166-S168 PolarHBondContact OD1-N 3.15Å; N166-S168 PolarHBondContact OD1-OG 3.26Å
169V97.8Very high97.4Very high36 Ų3659.2 Ų59.222%0.21831%0.309CS..  trans-109.5124.4175-175.10000108.5N30 Y32 P171N30-V169 HydrophobicContact CB-CG1 3.73Å; Y32-V169 HydrophobicContact CD1-CG1 4.32Å; Y32-V169 HydrophobicContact CD1-CG2 3.65Å; Y32-V169 HydrophobicContact CE1-CG2 4.07Å; V169-P171 WeakPolarHBondContact O-CD 3.46Å
170M97.4Very high97.5Very high73 Ų7356.3 Ų56.336%0.3630%0.295SS..  trans-62.5128.5-179.8-177.266.681.900110.2N30 K99 I100 V172N30-M170 PolarHBondContact ND2-O 3.02Å; K99-M170 VanDerWaalsContact O-CB 3.31Å; K99-M170 WeakPolarHBondContact O-CB 3.15Å; K99-M170 PolarHBondContact O-N 2.73Å; I100-M170 WeakPolarHBondContact O-CE 3.37Å; M170-V172 HydrophobicContact CG-CG1 4.26Å; M170-V172 PolarHBondContact O-N 3.02Å
171P97.7Very high97.4Very high72 Ų7256.3 Ų56.347%0.46830%0.295SS..  trans-63127.9167.2-21.433.9000111.4A25 V169A25-P171 HydrophobicContact CB-CB 4.25Å; V169-P171 WeakPolarHBondContact O-CD 3.46Å
172V97.6Very high97.1Very high4 Ų449.7 Ų49.72%0.02427%0.266CS..BIsolated β-bridgetrans-133.4163.3179.7-590000110.6A25 S26 N29 N30 M170 D176 H197A25-V172 CarbonylContact C-O 3.45Å; A25-V172 VanDerWaalsContact CA-O 3.29Å; A25-V172 WeakPolarHBondContact CA-O 3.38Å; S26-V172 PolarHBondContact N-O 2.9Å; S26-V172 PolarHBondContact O-N 3.29Å; S26-V172 VanDerWaalsContact O-N 3.13Å; N29-V172 HydrophobicContact CB-CG2 4.08Å; N29-V172 VanDerWaalsContact CB-O 3.23Å; N29-V172 WeakPolarHBondContact CB-O 3.34Å; N29-V172 PolarHBondContact ND2-O 2.99Å; N30-V172 HydrophobicContact CB-CG2 3.76Å; M170-V172 HydrophobicContact CG-CG1 4.26Å; M170-V172 PolarHBondContact O-N 3.02Å; V172-D176 HydrophobicContact CB-CB 4.26Å; V172-H197 HydrophobicContact CG2-CB 4.42Å
173H97.6Very high96.4Very high67 Ų6743.4 Ų43.431%0.3124%0.237SC..  trans-83.7155.7164.2-5389000110N23 A25 D175 D176N23-H173 PolarHBondContact O-CD2 3.22Å; A25-H173 PolarHBondContact N-NE2 2.84Å; H173-D175 PolarHBondContact O-N 3.35Å; H173-D176 IonicContact CG-OD2 2.8Å; H173-D176 PolarHBondContact N-OD2 2.86Å; H173-D176 IonicContact ND1-OD1 2.98Å; H173-D176 IonicContact ND1-OD2 3.34Å; H173-D176 PolarHBondContact ND1-OD2 3.28Å; H173-D176 WeakPolarHBondContact O-CB 3.37Å; H173-D176 PolarHBondContact O-N 3.01Å; H173-D176 VanDerWaalsContact O-N 3.14Å
174Q96.2Very high95Very high40 Ų4044.1 Ų44.119%0.18725%0.246CC..THydrogen-bonded Turntrans-58.5-31.4173.3-69.2-72.3-25.300111.9N29 T196 G198N29-Q174 VanDerWaalsContact CA-NE2 3.32Å; N29-Q174 HydrophobicContact CB-CG 4.14Å; N29-Q174 VanDerWaalsContact CG-NE2 3.33Å; N29-Q174 PolarHBondContact OD1-NE2 3.49Å; Q174-T196 WeakPolarHBondContact O-CB 3.33Å; Q174-T196 PolarHBondContact O-OG1 2.86Å; Q174-T196 VanDerWaalsContact O-OG1 3.06Å; Q174-G198 WeakPolarHBondContact O-CA 3.32Å; Q174-G198 PolarHBondContact O-N 3.05Å
175D97Very high92.8Very high96 Ų9641.8 Ų41.851%0.51324%0.236SC..THydrogen-bonded Turntrans-89.41.5-178.9-67.5-23.2000114.1H173 T196 K367H173-D175 PolarHBondContact O-N 3.35Å; D175-T196 WeakPolarHBondContact O-CG2 3.24Å; D175-K367 PolarHBondContact O-NZ 3.14Å
176D98.2Very high90.2Very high51 Ų5143.1 Ų43.127%0.27324%0.244SC..SBendtrans-70.3135.6173.2-70.2-19.8000109.4V172 H173 A178 T196 H197V172-D176 HydrophobicContact CB-CB 4.26Å; H173-D176 IonicContact CG-OD2 2.8Å; H173-D176 PolarHBondContact N-OD2 2.86Å; H173-D176 IonicContact ND1-OD1 2.98Å; H173-D176 IonicContact ND1-OD2 3.34Å; H173-D176 PolarHBondContact ND1-OD2 3.28Å; H173-D176 WeakPolarHBondContact O-CB 3.37Å; H173-D176 PolarHBondContact O-N 3.01Å; H173-D176 VanDerWaalsContact O-N 3.14Å; D176-A178 PolarHBondContact O-N 2.98Å; D176-T196 CarbonylContact O-C 3.6Å; D176-T196 WeakPolarHBondContact O-CA 3.27Å; D176-T196 VanDerWaalsContact O-CB 3.28Å; D176-T196 WeakPolarHBondContact O-CB 3.23Å; D176-H197 PolarHBondContact O-CD2 2.97Å; D176-H197 PolarHBondContact O-N 3.17Å
177V98.5Very high87.6Confident24 Ų2446.3 Ų46.315%0.14527%0.265CS..EExtended strand (participates in β ladder)trans-70.7124-177.1-177.30000108.7V103 A179 I180 M194 K367V103-V177 HydrophobicContact CG1-CG1 3.88Å; V103-V177 HydrophobicContact CG2-CB 4.2Å; V103-V177 HydrophobicContact CG2-CG1 4.22Å; V103-V177 WeakPolarHBondContact CG2-O 3.48Å; V177-A179 WeakPolarHBondContact CG1-O 3.42Å; V177-I180 HydrophobicContact CG1-CG1 4.18Å; V177-M194 HydrophobicContact CG1-CB 4.13Å; V177-M194 HydrophobicContact CG1-CG 4.48Å; V177-M194 HydrophobicContact CG2-CB 3.98Å; V177-M194 HydrophobicContact CG2-CG 4.31Å; V177-M194 HydrophobicContact CG2-SD 4.15Å; V177-K367 HydrophobicContact CG2-CD 4.31Å
178A98.6Very high85.6Confident0 Ų042.9 Ų42.90%027%0.268CS..EExtended strand (participates in β ladder)trans-94.7-33.6175.800000111.5M98 Y104 D176 I195 L200M98-A178 HydrophobicContact CG-CB 4.24Å; Y104-A178 PolarHBondContact N-O 3.15Å; D176-A178 PolarHBondContact O-N 2.98Å; A178-I195 PolarHBondContact N-O 2.9Å; A178-L200 HydrophobicContact CB-CD1 3.77Å
179A98.8Very high84.1Confident0 Ų044.2 Ų44.20%027%0.273CS..EExtended strand (participates in β ladder)trans-148.5151.2179.800000112.6M98 Y104 V177 I195 F232M98-A179 HydrophobicContact CE-CB 4.22Å; Y104-A179 CarbonylContact O-C 3.35Å; Y104-A179 WeakPolarHBondContact O-CA 3.45Å; Y104-A179 WeakPolarHBondContact O-CB 3.47Å; V177-A179 WeakPolarHBondContact CG1-O 3.42Å; A179-I195 PolarHBondContact N-O 2.8Å; A179-I195 VanDerWaalsContact N-O 3.1Å; A179-I195 PolarHBondContact O-N 2.89Å; A179-F232 HydrophobicContact CB-CE2 4.21Å; A179-F232 HydrophobicContact CB-CZ 3.75Å
180I98.6Very high83.1Confident0 Ų043.8 Ų43.80%027%0.272CS..EExtended strand (participates in β ladder)trans-111.9113.1164.7-65.1164.8000107.6R79 V103 Y104 V105 V177 Y182 A193 M194 W370R79-I180 HydrophobicContact CG-CD1 3.92Å; V103-I180 HydrophobicContact CG1-CB 4.39Å; V103-I180 HydrophobicContact CG1-CD1 3.83Å; V103-I180 HydrophobicContact CG1-CG1 3.7Å; Y104-I180 PolarHBondContact O-N 3.07Å; V105-I180 HydrophobicContact CG2-CB 4.21Å; V177-I180 HydrophobicContact CG1-CG1 4.18Å; I180-Y182 HydrophobicContact CG2-CE2 4.29Å; I180-A193 WeakPolarHBondContact CA-O 3.44Å; I180-M194 HydrophobicContact CG1-CG 4.38Å; I180-W370 HydrophobicContact CD1-CB 4.37Å; I180-W370 HydrophobicContact CD1-CD2 3.69Å; I180-W370 HydrophobicContact CD1-CE3 3.7Å; I180-W370 HydrophobicContact CD1-CG 3.98Å; I180-W370 HydrophobicContact CD1-CZ3 4.26Å; I180-W370 HydrophobicContact CG2-CB 4.46Å
181C96.5Very high82.7Confident4 Ų441.8 Ų41.83%0.02726%0.261CS..EExtended strand (participates in β ladder)trans-108.5122.7178.8-65.60000110A193 I228 T323C181-A193 PolarHBondContact N-O 2.85Å; C181-A193 WeakPolarHBondContact O-CB 3.5Å; C181-A193 PolarHBondContact O-N 2.86Å; C181-I228 HydrophobicContact CB-CD1 4.09Å; C181-I228 HydrophobicContact CB-CG1 4.36Å; C181-I228 VanDerWaalsContact SG-CD1 3.57Å; C181-T323 HydrophobicContact CB-CG2 3.51Å
182Y90.7Very high82.6Confident27 Ų2738.3 Ų38.311%0.10624%0.239CC..EExtended strand (participates in β ladder)trans-76.9131.1179.5-74.5-87.6000111.7V105 L107 Y118 F119 D122 S123 I180 K191V105-Y182 HydrophobicContact CG1-CD2 4.31Å; V105-Y182 HydrophobicContact CG1-CE2 3.79Å; L107-Y182 HydrophobicContact CD2-CD2 3.97Å; L107-Y182 HydrophobicContact CD2-CE2 4.17Å; Y118-Y182 HydrophobicContact CE1-CE1 4.39Å; F119-Y182 HydrophobicContact CB-CE2 4.28Å; F119-Y182 AromaticContact CD1-CD1 3.61Å; F119-Y182 HydrophobicContact CD1-CD1 3.61Å; F119-Y182 AromaticContact CD1-CD2 3.69Å; F119-Y182 HydrophobicContact CD1-CD2 3.69Å; F119-Y182 AromaticContact CD1-CE1 3.68Å; F119-Y182 HydrophobicContact CD1-CE1 3.68Å; F119-Y182 AromaticContact CD1-CE2 3.74Å; F119-Y182 HydrophobicContact CD1-CE2 3.74Å; F119-Y182 AromaticContact CD1-CG 3.6Å; F119-Y182 HydrophobicContact CD1-CG 3.6Å; F119-Y182 AromaticContact CD1-CZ 3.72Å; F119-Y182 AromaticContact CE1-CD1 3.69Å; F119-Y182 HydrophobicContact CE1-CD1 3.69Å; F119-Y182 HydrophobicContact CE1-CD2 4.14Å; F119-Y182 HydrophobicContact CE1-CE1 4.2Å; F119-Y182 AromaticContact CE1-CG 3.64Å; F119-Y182 HydrophobicContact CE1-CG 3.64Å; F119-Y182 HydrophobicContact CG-CE2 4.42Å; F119-Y182 PolarHBondContact O-OH 2.82Å; F119-Y182 VanDerWaalsContact O-OH 3.13Å; D122-Y182 WeakPolarHBondContact OD2-CE1 3.43Å; D122-Y182 PolarHBondContact OD2-OH 2.93Å; S123-Y182 VanDerWaalsContact CB-OH 3.32Å; S123-Y182 WeakPolarHBondContact CB-OH 3.31Å; S123-Y182 PolarHBondContact N-OH 2.99Å; I180-Y182 HydrophobicContact CG2-CE2 4.29Å; Y182-K191 CarbonylContact C-O 3.4Å; Y182-K191 VanDerWaalsContact CA-O 3.32Å; Y182-K191 WeakPolarHBondContact CA-O 3.5Å
183T81.6Confident82.6Confident11 Ų1138.1 Ų38.17%0.06724%0.238CC..  trans-69.5145.1176.963.50000110.6G185 S190 K191 E324 Y369T183-G185 PolarHBondContact O-N 3.48Å; T183-S190 WeakPolarHBondContact O-CB 2.96Å; T183-S190 PolarHBondContact O-OG 3.17Å; T183-S190 VanDerWaalsContact O-OG 3.11Å; T183-K191 HydrophobicContact CG2-CB 4.44Å; T183-K191 PolarHBondContact N-O 2.55Å; T183-K191 PolarHBondContact OG1-N 2.79Å; T183-E324 WeakPolarHBondContact CG2-OE1 3.28Å; T183-Y369 HydrophobicContact CG2-CE1 4.11Å
184S66.6Low82.6Confident48 Ų4836.4 Ų36.434%0.33623%0.23SC..  trans-68.699.6166.363.10000109.6T186S184-T186 PolarHBondContact O-N 3.21Å
185G51.8Low82.7Confident41 Ų4134.5 Ų34.542%0.42322%0.221SC..  trans-61.6115.1177.600000111.4T183T183-G185 PolarHBondContact O-N 3.48Å
186T42.8Very low82.8Confident68 Ų6830 Ų3042%0.41720%0.197SC..SBendtrans-94.7-22.4169.7490000112.3S184S184-T186 PolarHBondContact O-N 3.21Å
187T43.4Very low82.8Confident111 Ų11127.7 Ų27.768%0.68119%0.185SC*.SBendtrans-133.514.9-172.252.10000113.3
188G52.6Low82.8Confident54 Ų5427 Ų2756%0.55718%0.182SC*.SBendtrans169.4-168.2-178.600000113.6
189T66.1Low82.8Confident101 Ų10127.6 Ų27.662%0.6219%0.186SC*.SBendtrans-64.2141.4177.150.80000111.7K191T189-K191 PolarHBondContact O-N 3.06Å
190S77.7Confident82.8Confident28 Ų2827.7 Ų27.720%0.19619%0.186CC..PPolyproline II helixtrans-61.9130.3-179.9-63.10000111.3Y118 T183Y118-S190 WeakPolarHBondContact CE1-O 3.3Å; Y118-S190 PolarHBondContact OH-O 2.85Å; T183-S190 WeakPolarHBondContact O-CB 2.96Å; T183-S190 PolarHBondContact O-OG 3.17Å; T183-S190 VanDerWaalsContact O-OG 3.11Å
191K87.9Confident82.8Confident30 Ų3028.1 Ų28.113%0.1319%0.189CC..PPolyproline II helixtrans-100.8136.4-176.9-57.4171.6-74.4176.10110.3Y182 T183 T189 A193 Y369 K375 E379Y182-K191 CarbonylContact C-O 3.4Å; Y182-K191 VanDerWaalsContact CA-O 3.32Å; Y182-K191 WeakPolarHBondContact CA-O 3.5Å; T183-K191 HydrophobicContact CG2-CB 4.44Å; T183-K191 PolarHBondContact N-O 2.55Å; T183-K191 PolarHBondContact OG1-N 2.79Å; T189-K191 PolarHBondContact O-N 3.06Å; K191-A193 PolarHBondContact O-N 2.98Å; K191-Y369 HydrophobicContact CB-CD1 3.43Å; K191-Y369 VanDerWaalsContact CB-CD1 3.43Å; K191-Y369 HydrophobicContact CB-CE1 3.71Å; K191-Y369 HydrophobicContact CB-CG 4.11Å; K191-Y369 HydrophobicContact CD-CD1 4.05Å; K191-Y369 HydrophobicContact CD-CD2 4.25Å; K191-Y369 HydrophobicContact CD-CE1 3.89Å; K191-Y369 HydrophobicContact CD-CE2 4.08Å; K191-Y369 HydrophobicContact CD-CG 4.23Å; K191-Y369 HydrophobicContact CG-CD1 4.31Å; K191-Y369 HydrophobicContact CG-CE1 4.43Å; K191-Y369 PolarHBondContact NZ-OH 2.99Å; K191-K375 HydrophobicContact CD-CD 3.87Å; K191-K375 VanDerWaalsContact CD-CE 3.48Å; K191-E379 IonicContact NZ-OE1 2.91Å
192G95.5Very high82.8Confident0 Ų029.1 Ų29.10%020%0.196CC..EExtended strand (participates in β ladder)trans-77.1103.1174.600000111.5Y369 W370G192-Y369 CarbonylContact O-C 3.6Å; G192-Y369 WeakPolarHBondContact O-CA 3.29Å; G192-W370 PolarHBondContact O-N 2.99Å
193A97.3Very high83.2Confident0 Ų028 Ų280%019%0.191CC..EExtended strand (participates in β ladder)trans-77.4121.2174.700000110.2I180 C181 K191 I195 T323 E324 F366I180-A193 WeakPolarHBondContact CA-O 3.44Å; C181-A193 PolarHBondContact N-O 2.85Å; C181-A193 WeakPolarHBondContact O-CB 3.5Å; C181-A193 PolarHBondContact O-N 2.86Å; K191-A193 PolarHBondContact O-N 2.98Å; A193-I195 HydrophobicContact CB-CD1 4.11Å; A193-I195 PolarHBondContact O-N 3.06Å; A193-T323 HydrophobicContact CB-CG2 3.74Å; A193-E324 HydrophobicContact CB-CG 4.47Å; A193-F366 HydrophobicContact CB-CD2 3.62Å; A193-F366 HydrophobicContact CB-CE2 4.22Å; A193-F366 HydrophobicContact CB-CG 4.47Å
194M98.6Very high83.9Confident31 Ų3127.5 Ų27.515%0.15319%0.189CC..EExtended strand (participates in β ladder)trans-80.9109.3177.5-65-176.6-68.300110.4V177 I180 F366 K367 G368 W370V177-M194 HydrophobicContact CG1-CB 4.13Å; V177-M194 HydrophobicContact CG1-CG 4.48Å; V177-M194 HydrophobicContact CG2-CB 3.98Å; V177-M194 HydrophobicContact CG2-CG 4.31Å; V177-M194 HydrophobicContact CG2-SD 4.15Å; I180-M194 HydrophobicContact CG1-CG 4.38Å; M194-F366 WeakPolarHBondContact O-CB 3.32Å; M194-K367 HydrophobicContact CB-CB 4.2Å; M194-K367 HydrophobicContact CE-CG 4.49Å; M194-K367 PolarHBondContact O-N 2.92Å; M194-G368 WeakPolarHBondContact CB-O 3.31Å; M194-G368 PolarHBondContact N-O 2.7Å; M194-W370 HydrophobicContact CG-CB 4.13Å; M194-W370 HydrophobicContact CG-CE3 4.15Å; M194-W370 HydrophobicContact SD-CE3 3.71Å; M194-W370 HydrophobicContact SD-CZ3 4.39Å
195I98.6Very high85.4Confident0 Ų029 Ų290%019%0.193CC..EExtended strand (participates in β ladder)trans-103.3122179.9-43.2-59.6000108.7A178 A179 A193 N199 L200 I228 T323 F366A178-I195 PolarHBondContact N-O 2.9Å; A179-I195 PolarHBondContact N-O 2.8Å; A179-I195 VanDerWaalsContact N-O 3.1Å; A179-I195 PolarHBondContact O-N 2.89Å; A193-I195 HydrophobicContact CB-CD1 4.11Å; A193-I195 PolarHBondContact O-N 3.06Å; I195-N199 HydrophobicContact CG2-CB 3.79Å; I195-L200 HydrophobicContact CG2-CD1 4.48Å; I195-L200 HydrophobicContact CG2-CD2 3.54Å; I195-L200 HydrophobicContact CG2-CG 3.76Å; I195-I228 HydrophobicContact CG1-CD1 4.22Å; I195-T323 WeakPolarHBondContact CD1-O 3.43Å; I195-F366 HydrophobicContact CD1-CB 3.64Å
196T98.7Very high87.6Confident2 Ų228.4 Ų28.41%0.01218%0.181CC..EExtended strand (participates in β ladder)trans-86164.3-176.272.90000112.5Q174 D175 D176 G198 N199 L200 K367Q174-T196 WeakPolarHBondContact O-CB 3.33Å; Q174-T196 PolarHBondContact O-OG1 2.86Å; Q174-T196 VanDerWaalsContact O-OG1 3.06Å; D175-T196 WeakPolarHBondContact O-CG2 3.24Å; D176-T196 CarbonylContact O-C 3.6Å; D176-T196 WeakPolarHBondContact O-CA 3.27Å; D176-T196 VanDerWaalsContact O-CB 3.28Å; D176-T196 WeakPolarHBondContact O-CB 3.23Å; T196-G198 PolarHBondContact O-N 3.29Å; T196-G198 PolarHBondContact OG1-N 2.85Å; T196-N199 PolarHBondContact N-OD1 3.48Å; T196-N199 WeakPolarHBondContact O-CB 3.4Å; T196-N199 PolarHBondContact O-N 3.32Å; T196-N199 PolarHBondContact OG1-N 2.85Å; T196-N199 PolarHBondContact OG1-ND2 3.25Å; T196-N199 PolarHBondContact OG1-OD1 3Å; T196-L200 WeakPolarHBondContact O-CG 3.42Å; T196-L200 PolarHBondContact O-N 2.84Å; T196-L200 VanDerWaalsContact O-N 3.13Å; T196-K367 HydrophobicContact CG2-CB 3.84Å; T196-K367 HydrophobicContact CG2-CD 3.95Å; T196-K367 HydrophobicContact CG2-CG 4.41Å
197H98.4Very high90.2Very high1 Ų125.2 Ų25.21%0.00516%0.161CC..Hα-helixtrans-56-41.5170.7-73.6-84.3000111.5N29 N30 L31 M98 V172 D176 L200 T201N29-H197 WeakPolarHBondContact O-CB 3.32Å; N30-H197 PolarHBondContact OD1-CE1 3.47Å; L31-H197 PolarHBondContact N-ND1 3.07Å; M98-H197 PolarHBondContact O-CE1 3.12Å; V172-H197 HydrophobicContact CG2-CB 4.42Å; D176-H197 PolarHBondContact O-CD2 2.97Å; D176-H197 PolarHBondContact O-N 3.17Å; H197-L200 PolarHBondContact O-N 2.97Å; H197-T201 WeakPolarHBondContact O-CB 3.12Å; H197-T201 PolarHBondContact O-N 3.16Å; H197-T201 PolarHBondContact O-OG1 2.89Å
198G98Very high92.7Very high10 Ų1022.9 Ų22.910%0.10314%0.143CC..Hα-helixtrans-67.6-34.8177.100000114Q174 T196 S202Q174-G198 WeakPolarHBondContact O-CA 3.32Å; Q174-G198 PolarHBondContact O-N 3.05Å; T196-G198 PolarHBondContact O-N 3.29Å; T196-G198 PolarHBondContact OG1-N 2.85Å; G198-S202 VanDerWaalsContact O-CB 3.24Å; G198-S202 WeakPolarHBondContact O-CB 3.33Å; G198-S202 PolarHBondContact O-N 3.17Å; G198-S202 PolarHBondContact O-OG 2.92Å
199N98.5Very high94.8Very high12 Ų1228.1 Ų28.16%0.06415%0.147CC..Hα-helixtrans-60.3-47.5172.5-63.6153.4000111.2I195 T196 S202 N203 Q326 P363 T365 F366I195-N199 HydrophobicContact CG2-CB 3.79Å; T196-N199 PolarHBondContact N-OD1 3.48Å; T196-N199 WeakPolarHBondContact O-CB 3.4Å; T196-N199 PolarHBondContact O-N 3.32Å; T196-N199 PolarHBondContact OG1-N 2.85Å; T196-N199 PolarHBondContact OG1-ND2 3.25Å; T196-N199 PolarHBondContact OG1-OD1 3Å; N199-S202 PolarHBondContact O-OG 3.48Å; N199-S202 VanDerWaalsContact O-OG 3.08Å; N199-N203 VanDerWaalsContact O-CB 3.3Å; N199-N203 WeakPolarHBondContact O-CB 3.48Å; N199-N203 PolarHBondContact O-N 3.13Å; N199-Q326 VanDerWaalsContact C-NE2 3.34Å; N199-Q326 PolarHBondContact O-NE2 2.84Å; N199-P363 WeakPolarHBondContact CA-O 3.35Å; N199-P363 PolarHBondContact ND2-O 3.44Å; N199-T365 PolarHBondContact ND2-O 3.05Å; N199-T365 PolarHBondContact OD1-O 2.98Å; N199-F366 WeakPolarHBondContact OD1-CA 3.21Å
200L98.6Very high96.2Very high3 Ų324.9 Ų24.92%0.01613%0.125CC..Hα-helixtrans-68.8-45.9-178.2-64.5176.3000111.6L31 M98 A178 I195 T196 H197 N203 G204 F232L31-L200 HydrophobicContact CD1-CB 4.01Å; L31-L200 HydrophobicContact CD2-CB 3.76Å; L31-L200 HydrophobicContact CD2-CD1 3.61Å; L31-L200 HydrophobicContact CD2-CG 4.3Å; L31-L200 HydrophobicContact CG-CB 4.37Å; M98-L200 HydrophobicContact CE-CD1 4.3Å; M98-L200 HydrophobicContact SD-CD1 4.47Å; A178-L200 HydrophobicContact CB-CD1 3.77Å; I195-L200 HydrophobicContact CG2-CD1 4.48Å; I195-L200 HydrophobicContact CG2-CD2 3.54Å; I195-L200 HydrophobicContact CG2-CG 3.76Å; T196-L200 WeakPolarHBondContact O-CG 3.42Å; T196-L200 PolarHBondContact O-N 2.84Å; T196-L200 VanDerWaalsContact O-N 3.13Å; H197-L200 PolarHBondContact O-N 2.97Å; L200-N203 PolarHBondContact O-N 3.36Å; L200-G204 PolarHBondContact O-N 2.77Å; L200-F232 HydrophobicContact CD1-CD1 3.73Å; L200-F232 HydrophobicContact CD1-CE1 3.45Å; L200-F232 VanDerWaalsContact CD1-CE1 3.45Å; L200-F232 HydrophobicContact CD1-CZ 4.13Å; L200-F232 HydrophobicContact CD2-CB 3.86Å; L200-F232 HydrophobicContact CD2-CD1 3.36Å; L200-F232 HydrophobicContact CD2-CD2 4.12Å; L200-F232 HydrophobicContact CD2-CE1 3.86Å; L200-F232 HydrophobicContact CD2-CG 3.5Å; L200-F232 VanDerWaalsContact CD2-CG 3.5Å; L200-F232 HydrophobicContact CD2-CZ 4.42Å; L200-F232 HydrophobicContact CG-CD1 4.12Å; L200-F232 HydrophobicContact CG-CE1 4.3Å
201T98.1Very high97.1Very high8 Ų823.5 Ų23.55%0.04912%0.116CC..Hα-helixtrans-63-47.6-179.6-63.40000111.5H34 H197 N203 G204 I205H34-T201 WeakPolarHBondContact NE2-CG2 3.26Å; H197-T201 WeakPolarHBondContact O-CB 3.12Å; H197-T201 PolarHBondContact O-N 3.16Å; H197-T201 PolarHBondContact O-OG1 2.89Å; T201-N203 VanDerWaalsContact C-N 3.33Å; T201-N203 PolarHBondContact O-N 2.86Å; T201-G204 PolarHBondContact O-N 3.11Å; T201-I205 HydrophobicContact CG2-CD1 3.76Å; T201-I205 HydrophobicContact CG2-CG1 4.48Å; T201-I205 WeakPolarHBondContact O-CG1 3.46Å; T201-I205 PolarHBondContact O-N 3.46Å
202S98Very high97.6Very high26 Ų2623.7 Ų23.718%0.18212%0.123CC..Hα-helixtrans-61.8-42.1179.160.80000112G198 N199 T206 P363G198-S202 VanDerWaalsContact O-CB 3.24Å; G198-S202 WeakPolarHBondContact O-CB 3.33Å; G198-S202 PolarHBondContact O-N 3.17Å; G198-S202 PolarHBondContact O-OG 2.92Å; N199-S202 PolarHBondContact O-OG 3.48Å; N199-S202 VanDerWaalsContact O-OG 3.08Å; S202-T206 WeakPolarHBondContact O-CB 3.24Å; S202-T206 PolarHBondContact O-N 2.99Å; S202-T206 VanDerWaalsContact O-N 3.15Å; S202-T206 PolarHBondContact O-OG1 3.07Å; S202-P363 PolarHBondContact OG-O 3.46Å
203N98.2Very high97.7Very high2 Ų224.1 Ų24.11%0.01113%0.125CC..Hα-helixtrans-65.1-51.2177-170.488.8000111.3N199 L200 T201 I205 T206 L207 Q326 I327 N364N199-N203 VanDerWaalsContact O-CB 3.3Å; N199-N203 WeakPolarHBondContact O-CB 3.48Å; N199-N203 PolarHBondContact O-N 3.13Å; L200-N203 PolarHBondContact O-N 3.36Å; T201-N203 VanDerWaalsContact C-N 3.33Å; T201-N203 PolarHBondContact O-N 2.86Å; N203-I205 PolarHBondContact O-N 3.38Å; N203-T206 PolarHBondContact O-N 3.46Å; N203-T206 VanDerWaalsContact O-N 3.15Å; N203-L207 WeakPolarHBondContact ND2-CD1 3.37Å; N203-L207 VanDerWaalsContact O-CG 3.3Å; N203-L207 WeakPolarHBondContact O-CG 3.29Å; N203-L207 PolarHBondContact O-N 3.29Å; N203-Q326 HydrophobicContact CB-CB 4.43Å; N203-Q326 VanDerWaalsContact OD1-CB 3.29Å; N203-Q326 WeakPolarHBondContact OD1-CB 3.33Å; N203-I327 PolarHBondContact OD1-N 3.19Å; N203-N364 HydrophobicContact CB-CB 3.94Å; N203-N364 PolarHBondContact OD1-ND2 2.92Å
204G97.5Very high97.7Very high2 Ų226.4 Ų26.42%0.02114%0.141CC..Hα-helixtrans-58.5-45.6-178.900000113.6L200 T201 T206 L207 Q208L200-G204 PolarHBondContact O-N 2.77Å; T201-G204 PolarHBondContact O-N 3.11Å; G204-T206 VanDerWaalsContact C-N 3.33Å; G204-T206 PolarHBondContact O-N 3.46Å; G204-L207 PolarHBondContact O-N 3.44Å; G204-Q208 WeakPolarHBondContact O-CB 3.39Å; G204-Q208 PolarHBondContact O-N 2.92Å
205I97.1Very high97.6Very high79 Ų7931.9 Ų31.941%0.40516%0.164SC..Hα-helixtrans-60.9-44175.6-69171.6000110.8T201 N203 L207 Q208 Y209 M240T201-I205 HydrophobicContact CG2-CD1 3.76Å; T201-I205 HydrophobicContact CG2-CG1 4.48Å; T201-I205 WeakPolarHBondContact O-CG1 3.46Å; T201-I205 PolarHBondContact O-N 3.46Å; N203-I205 PolarHBondContact O-N 3.38Å; I205-L207 PolarHBondContact O-N 3.31Å; I205-Q208 PolarHBondContact O-N 2.76Å; I205-Y209 PolarHBondContact O-N 3.26Å; I205-Y209 VanDerWaalsContact O-N 3.13Å; I205-M240 HydrophobicContact CG1-CE 3.76Å
206T97.8Very high97.5Very high29 Ų2935.4 Ų35.418%0.17819%0.193CC..Hα-helixtrans-63.8-42.9-179.8-56.40000111.2S202 N203 G204 Y209 L210 L346 P347S202-T206 WeakPolarHBondContact O-CB 3.24Å; S202-T206 PolarHBondContact O-N 2.99Å; S202-T206 VanDerWaalsContact O-N 3.15Å; S202-T206 PolarHBondContact O-OG1 3.07Å; N203-T206 PolarHBondContact O-N 3.46Å; N203-T206 VanDerWaalsContact O-N 3.15Å; G204-T206 VanDerWaalsContact C-N 3.33Å; G204-T206 PolarHBondContact O-N 3.46Å; T206-Y209 PolarHBondContact O-N 3.43Å; T206-L210 VanDerWaalsContact O-CB 3.26Å; T206-L210 WeakPolarHBondContact O-CB 3.46Å; T206-L210 PolarHBondContact O-N 2.84Å; T206-L346 HydrophobicContact CG2-CB 4.18Å; T206-L346 HydrophobicContact CG2-CD2 3.8Å; T206-L346 HydrophobicContact CG2-CG 4.28Å; T206-P347 HydrophobicContact CG2-CG 4.39Å
207L97.7Very high97.5Very high0 Ų035.4 Ų35.40%019%0.193CC..Hα-helixtrans-68.6-40.8178.7-65.5-176.7000112.8N203 G204 I205 Y209 L210 W211 V233 I327 L346N203-L207 WeakPolarHBondContact ND2-CD1 3.37Å; N203-L207 VanDerWaalsContact O-CG 3.3Å; N203-L207 WeakPolarHBondContact O-CG 3.29Å; N203-L207 PolarHBondContact O-N 3.29Å; G204-L207 PolarHBondContact O-N 3.44Å; I205-L207 PolarHBondContact O-N 3.31Å; L207-Y209 VanDerWaalsContact C-N 3.26Å; L207-Y209 PolarHBondContact O-N 2.98Å; L207-L210 PolarHBondContact O-N 3.27Å; L207-W211 HydrophobicContact CB-CD2 4.5Å; L207-W211 HydrophobicContact CB-CE3 3.9Å; L207-W211 HydrophobicContact CB-CZ3 3.94Å; L207-W211 HydrophobicContact CD1-CE3 4.46Å; L207-W211 HydrophobicContact CD1-CH2 3.85Å; L207-W211 HydrophobicContact CD1-CZ3 3.67Å; L207-W211 HydrophobicContact CD2-CD2 4.37Å; L207-W211 HydrophobicContact CD2-CE3 4.24Å; L207-W211 HydrophobicContact CD2-CH2 3.63Å; L207-W211 HydrophobicContact CD2-CZ2 3.75Å; L207-W211 HydrophobicContact CD2-CZ3 3.89Å; L207-W211 HydrophobicContact CG-CE3 4.41Å; L207-W211 HydrophobicContact CG-CH2 4.2Å; L207-W211 HydrophobicContact CG-CZ3 4.03Å; L207-W211 WeakPolarHBondContact O-CB 3.5Å; L207-W211 PolarHBondContact O-N 2.82Å; L207-V233 HydrophobicContact CD1-CB 4.37Å; L207-V233 HydrophobicContact CD1-CG1 3.84Å; L207-I327 HydrophobicContact CD1-CG1 3.81Å; L207-I327 HydrophobicContact CD2-CB 4.12Å; L207-I327 HydrophobicContact CD2-CG1 3.85Å; L207-I327 HydrophobicContact CD2-CG2 4.24Å; L207-I327 HydrophobicContact CG-CG1 4.34Å; L207-L346 HydrophobicContact CD2-CD2 3.82Å
208Q96.9Very high97.5Very high63 Ų6338 Ų3829%0.29421%0.206SC..Hα-helixtrans-53.9-46.7173.3179.9-177.832.800110.8G204 I205 A212 L213G204-Q208 WeakPolarHBondContact O-CB 3.39Å; G204-Q208 PolarHBondContact O-N 2.92Å; I205-Q208 PolarHBondContact O-N 2.76Å; Q208-A212 CarbonylContact O-C 3.58Å; Q208-A212 VanDerWaalsContact O-CA 3.25Å; Q208-A212 WeakPolarHBondContact O-CA 3.44Å; Q208-A212 PolarHBondContact O-N 3.19Å; Q208-L213 HydrophobicContact CG-CB 4.29Å; Q208-L213 PolarHBondContact O-N 3.27Å
209Y95.4Very high97.5Very high164 Ų16437.5 Ų37.564%0.64320%0.201SC*.Hα-helixtrans-67-51.4176.8175.4-100.8000112.4I205 T206 L207 W211 A212I205-Y209 PolarHBondContact O-N 3.26Å; I205-Y209 VanDerWaalsContact O-N 3.13Å; T206-Y209 PolarHBondContact O-N 3.43Å; L207-Y209 VanDerWaalsContact C-N 3.26Å; L207-Y209 PolarHBondContact O-N 2.98Å; Y209-W211 VanDerWaalsContact C-N 3.32Å; Y209-W211 PolarHBondContact O-N 3.35Å; Y209-A212 PolarHBondContact O-N 3.42Å
210L95.8Very high97.6Very high32 Ų3237 Ų3717%0.16820%0.198CC..Hα-helixtrans-64.6-36.5-172.1-162153.4000112.2T206 L207 L333 L346T206-L210 VanDerWaalsContact O-CB 3.26Å; T206-L210 WeakPolarHBondContact O-CB 3.46Å; T206-L210 PolarHBondContact O-N 2.84Å; L207-L210 PolarHBondContact O-N 3.27Å; L210-L333 VanDerWaalsContact O-CB 3.23Å; L210-L333 WeakPolarHBondContact O-CB 3.16Å; L210-L346 HydrophobicContact CD1-CD2 4.4Å; L210-L346 HydrophobicContact CD1-CG 3.84Å
211W97.2Very high97.6Very high0 Ų036.8 Ų36.80%020%0.198CC..THydrogen-bonded Turntrans-1004.3179.3-61-28.1000114L207 Y209 L213 V233 M267 R291 L292 I294 R319 S330L207-W211 HydrophobicContact CB-CD2 4.5Å; L207-W211 HydrophobicContact CB-CE3 3.9Å; L207-W211 HydrophobicContact CB-CZ3 3.94Å; L207-W211 HydrophobicContact CD1-CE3 4.46Å; L207-W211 HydrophobicContact CD1-CH2 3.85Å; L207-W211 HydrophobicContact CD1-CZ3 3.67Å; L207-W211 HydrophobicContact CD2-CD2 4.37Å; L207-W211 HydrophobicContact CD2-CE3 4.24Å; L207-W211 HydrophobicContact CD2-CH2 3.63Å; L207-W211 HydrophobicContact CD2-CZ2 3.75Å; L207-W211 HydrophobicContact CD2-CZ3 3.89Å; L207-W211 HydrophobicContact CG-CE3 4.41Å; L207-W211 HydrophobicContact CG-CH2 4.2Å; L207-W211 HydrophobicContact CG-CZ3 4.03Å; L207-W211 WeakPolarHBondContact O-CB 3.5Å; L207-W211 PolarHBondContact O-N 2.82Å; Y209-W211 VanDerWaalsContact C-N 3.32Å; Y209-W211 PolarHBondContact O-N 3.35Å; W211-L213 HydrophobicContact CB-CD2 3.79Å; W211-L213 HydrophobicContact CB-CG 4.06Å; W211-L213 HydrophobicContact CE3-CD1 4.42Å; W211-L213 PolarHBondContact O-N 3.25Å; W211-V233 HydrophobicContact CH2-CG1 3.77Å; W211-V233 HydrophobicContact CZ3-CG1 4.01Å; W211-M267 HydrophobicContact CE3-CE 3.82Å; W211-M267 HydrophobicContact CZ3-CE 3.58Å; W211-M267 HydrophobicContact CZ3-SD 4.05Å; W211-R291 PolarHBondContact O-NH1 3.19Å; W211-R291 PolarHBondContact O-NH2 3Å; W211-L292 HydrophobicContact CB-CD2 3.85Å; W211-L292 HydrophobicContact CG-CD2 4.34Å; W211-I294 HydrophobicContact CD2-CD1 3.47Å; W211-I294 VanDerWaalsContact CD2-CD1 3.47Å; W211-I294 HydrophobicContact CE3-CD1 3.65Å; W211-I294 HydrophobicContact CG-CD1 3.92Å; W211-I294 HydrophobicContact CH2-CD1 4.11Å; W211-I294 HydrophobicContact CH2-CG2 4.34Å; W211-I294 HydrophobicContact CZ2-CD1 3.97Å; W211-I294 HydrophobicContact CZ2-CG2 4.08Å; W211-I294 HydrophobicContact CZ3-CD1 3.96Å; W211-R319 HydrophobicContact CZ2-CG 4.34Å; W211-S330 PolarHBondContact NE1-OG 2.98Å
212A97.6Very high97.5Very high34 Ų3436.5 Ų36.528%0.28120%0.196SC..THydrogen-bonded Turntrans4945.4-178.200000112.4Q208 Y209 L333Q208-A212 CarbonylContact O-C 3.58Å; Q208-A212 VanDerWaalsContact O-CA 3.25Å; Q208-A212 WeakPolarHBondContact O-CA 3.44Å; Q208-A212 PolarHBondContact O-N 3.19Å; Y209-A212 PolarHBondContact O-N 3.42Å; A212-L333 HydrophobicContact CB-CD2 3.62Å
213L97.8Very high97.4Very high9 Ų935.3 Ų35.35%0.04719%0.188CC..  trans-67.5136.2180-53.7-176.5000110.1Q208 W211 D217 M265 L292Q208-L213 HydrophobicContact CG-CB 4.29Å; Q208-L213 PolarHBondContact O-N 3.27Å; W211-L213 HydrophobicContact CB-CD2 3.79Å; W211-L213 HydrophobicContact CB-CG 4.06Å; W211-L213 HydrophobicContact CE3-CD1 4.42Å; W211-L213 PolarHBondContact O-N 3.25Å; L213-D217 WeakPolarHBondContact CA-OD2 3.31Å; L213-M265 HydrophobicContact CD2-CE 3.67Å; L213-M265 HydrophobicContact CD2-SD 3.84Å; L213-L292 HydrophobicContact CD2-CD2 4.3Å
214S96.7Very high97Very high47 Ų4737.4 Ų37.433%0.32920%0.201SC..  trans-149.4172.2-179.173.50000112.3A216 D217 S241 S243S214-A216 PolarHBondContact O-N 3.29Å; S214-A216 PolarHBondContact OG-N 3.44Å; S214-D217 PolarHBondContact N-OD2 3.25Å; S214-D217 WeakPolarHBondContact O-CB 3.32Å; S214-D217 PolarHBondContact O-N 3.29Å; S214-S241 CarbonylContact C-O 3.58Å; S214-S243 PolarHBondContact O-OG 2.9Å
215K96.7Very high96.9Very high146 Ų14638 Ų3864%0.63520%0.204SC*.THydrogen-bonded Turntrans-58.4-13.5172.468.6177.2-178.3178.10115.3L42 D217 S241 G242L42-K215 HydrophobicContact CD1-CB 4.39Å; K215-D217 VanDerWaalsContact C-N 3.26Å; K215-S241 PolarHBondContact N-O 3.42Å; K215-G242 WeakPolarHBondContact CA-O 3.45Å
216A97.1Very high96.6Very high74 Ų7435.9 Ų35.961%0.61219%0.193SC*.THydrogen-bonded Turntrans-80.5-8.4175.100000112.8S214S214-A216 PolarHBondContact O-N 3.29Å; S214-A216 PolarHBondContact OG-N 3.44Å
217D98.3Very high96.1Very high3 Ų336.9 Ų36.92%0.01620%0.196CC..  trans-87.6143.6-178.3-70.8-58.3000113.7L213 S214 K215 S243 S244 T264 M265 R291L213-D217 WeakPolarHBondContact CA-OD2 3.31Å; S214-D217 PolarHBondContact N-OD2 3.25Å; S214-D217 WeakPolarHBondContact O-CB 3.32Å; S214-D217 PolarHBondContact O-N 3.29Å; K215-D217 VanDerWaalsContact C-N 3.26Å; D217-S243 WeakPolarHBondContact O-CB 3.36Å; D217-S244 PolarHBondContact O-N 3.46Å; D217-T264 VanDerWaalsContact CA-OG1 3.28Å; D217-T264 WeakPolarHBondContact CA-OG1 3.36Å; D217-T264 PolarHBondContact OD1-OG1 2.71Å; D217-T264 VanDerWaalsContact OD1-OG1 3.06Å; D217-M265 HydrophobicContact CB-SD 3.96Å; D217-R291 IonicContact OD1-CZ 3.99Å; D217-R291 IonicContact OD1-NE 3.57Å; D217-R291 PolarHBondContact OD1-NE 3.15Å; D217-R291 IonicContact OD1-NH2 2.86Å; D217-R291 PolarHBondContact OD1-NH2 2.95Å; D217-R291 IonicContact OD2-CZ 3.16Å; D217-R291 IonicContact OD2-NE 3.55Å; D217-R291 IonicContact OD2-NH2 3.51Å; D217-R291 PolarHBondContact OD2-NH2 3.16Å
218I98.7Very high96Very high55 Ų5537.3 Ų37.328%0.28220%0.198SC..EExtended strand (participates in β ladder)trans-123.3106.4170.5-54174.4000107.5S244 I246 K262 T264 M265I218-S244 WeakPolarHBondContact CA-O 3.42Å; I218-I246 HydrophobicContact CG2-CD1 3.71Å; I218-I246 HydrophobicContact CG2-CG1 3.88Å; I218-K262 VanDerWaalsContact CD1-O 3.23Å; I218-K262 WeakPolarHBondContact CD1-O 3.44Å; I218-K262 WeakPolarHBondContact CG2-O 3.38Å; I218-T264 HydrophobicContact CB-CG2 4.5Å; I218-T264 PolarHBondContact N-OG1 3.15Å; I218-T264 PolarHBondContact O-N 3.15Å; I218-M265 PolarHBondContact O-N 3.1Å; I218-M265 VanDerWaalsContact O-N 3.15Å
219L98.8Very high95.8Very high0 Ų034.7 Ų34.70%019%0.186CC..EExtended strand (participates in β ladder)trans-79.2122.1177.5170.966.7000110.7H221 A234 C238 S244 T245 I246 M265 M267L219-H221 HydrophobicContact CD2-CB 3.98Å; L219-H221 HydrophobicContact CG-CB 4.03Å; L219-H221 PolarHBondContact O-N 3.42Å; L219-A234 HydrophobicContact CD2-CB 4.06Å; L219-C238 HydrophobicContact CD2-CB 4.33Å; L219-C238 VanDerWaalsContact CD2-SG 3.53Å; L219-S244 PolarHBondContact N-O 2.91Å; L219-T245 HydrophobicContact CB-CG2 4.39Å; L219-T245 HydrophobicContact CD2-CG2 4.23Å; L219-T245 HydrophobicContact CG-CG2 4.35Å; L219-T245 CarbonylContact O-C 3.52Å; L219-T245 WeakPolarHBondContact O-CA 3.18Å; L219-I246 PolarHBondContact O-N 3.45Å; L219-M265 HydrophobicContact CB-CG 4.07Å; L219-M265 HydrophobicContact CB-SD 4.38Å; L219-M265 HydrophobicContact CD1-CE 4.19Å; L219-M265 HydrophobicContact CD1-CG 4.1Å; L219-M267 HydrophobicContact CD1-CB 4.44Å; L219-M267 HydrophobicContact CD1-CG 4.03Å
220L98.8Very high95.8Very high0 Ų026.9 Ų26.90%016%0.156CC..EExtended strand (participates in β ladder)trans-80.3102.5164-172.652.2000109.8I246 L248 V256 W259 L260 S263 M265 M266L220-I246 HydrophobicContact CD1-CB 4Å; L220-I246 HydrophobicContact CD1-CG2 3.75Å; L220-L248 HydrophobicContact CD1-CD1 3.89Å; L220-L248 HydrophobicContact CD1-CG 4.12Å; L220-V256 HydrophobicContact CD2-CB 4.45Å; L220-V256 HydrophobicContact CD2-CG1 3.95Å; L220-W259 HydrophobicContact CD1-CB 3.69Å; L220-L260 HydrophobicContact CD2-CD2 3.95Å; L220-L260 HydrophobicContact CD2-CG 4.12Å; L220-S263 WeakPolarHBondContact CB-OG 3.03Å; L220-M265 PolarHBondContact N-O 3.16Å; L220-M266 HydrophobicContact CB-CB 4.33Å; L220-M266 HydrophobicContact CB-CG 4.33Å; L220-M266 HydrophobicContact CD2-SD 4.32Å
221H98.7Very high95.9Very high0 Ų025.4 Ų25.40%015%0.148CC..EExtended strand (participates in β ladder)trans-106.192.1-171.3-171.2-93.7000113.3K86 L219 L223 G230 L235 T245 I246 L247 L248K86-H221 PolarHBondContact NZ-ND1 2.91Å; K86-H221 PolarHBondContact NZ-O 3.42Å; L219-H221 HydrophobicContact CD2-CB 3.98Å; L219-H221 HydrophobicContact CG-CB 4.03Å; L219-H221 PolarHBondContact O-N 3.42Å; H221-L223 PolarHBondContact CE1-O 3.41Å; H221-G230 WeakPolarHBondContact NE2-CA 3.5Å; H221-G230 PolarHBondContact NE2-O 2.93Å; H221-L235 HydrophobicContact CB-CD2 4.26Å; H221-T245 HydrophobicContact CB-CG2 3.46Å; H221-T245 VanDerWaalsContact CB-CG2 3.46Å; H221-I246 PolarHBondContact N-O 3.04Å; H221-L247 HydrophobicContact CB-CD1 4.45Å; H221-L248 PolarHBondContact O-N 2.88Å
222A97.2Very high95.9Very high1 Ų125.6 Ų25.61%0.00815%0.149CC..  trans-98.1-9.5173.600000114K86 L248 F251 V256 Y272K86-A222 VanDerWaalsContact NZ-C 3.28Å; K86-A222 PolarHBondContact NZ-O 2.98Å; A222-L248 HydrophobicContact CB-CD1 4.42Å; A222-F251 HydrophobicContact CB-CB 4.15Å; A222-F251 HydrophobicContact CB-CD2 3.99Å; A222-F251 PolarHBondContact O-N 3.18Å; A222-V256 HydrophobicContact CB-CG2 4.32Å; A222-Y272 VanDerWaalsContact C-OH 3.26Å; A222-Y272 HydrophobicContact CB-CE2 3.74Å; A222-Y272 PolarHBondContact O-OH 3.41Å
223L94.5Very high96Very high2 Ų224 Ų241%0.0114%0.135CC..SBendtrans-65.8149.5-176.4-71162.7000112.8K86 H221 H229 A234 M267 V269 Y272K86-L223 PolarHBondContact NZ-O 2.86Å; H221-L223 PolarHBondContact CE1-O 3.41Å; L223-H229 WeakPolarHBondContact CD1-NE2 3.44Å; L223-A234 HydrophobicContact CD1-CB 4.45Å; L223-M267 HydrophobicContact CD1-CB 3.97Å; L223-M267 WeakPolarHBondContact CD1-O 3.45Å; L223-V269 HydrophobicContact CD2-CG1 4.02Å; L223-Y272 WeakPolarHBondContact CA-OH 3.37Å; L223-Y272 HydrophobicContact CD2-CE2 4.12Å; L223-Y272 HydrophobicContact CG-CE2 4.21Å; L223-Y272 PolarHBondContact N-OH 3.3Å
224P90.8Very high96Very high46 Ų4623.6 Ų23.630%0.29913%0.133SC..  trans-64.4147.3169.5-24.337.2000112.5D226 G230 M496P224-D226 WeakPolarHBondContact CB-OD1 3.45Å; P224-G230 WeakPolarHBondContact O-CA 3.41Å; P224-M496 HydrophobicContact CB-CE 4.33Å; P224-M496 HydrophobicContact CG-CE 3.83Å
225I95.8Very high96.1Very high14 Ų1421.4 Ų21.47%0.07212%0.118CC..SBendtrans-984.6178.856.7162000113.8K86 A90 L231 L235K86-I225 HydrophobicContact CB-CD1 4.14Å; K86-I225 HydrophobicContact CB-CG1 4.05Å; K86-I225 HydrophobicContact CD-CG2 3.55Å; K86-I225 HydrophobicContact CG-CD1 4.12Å; K86-I225 HydrophobicContact CG-CG1 4.13Å; K86-I225 HydrophobicContact CG-CG2 3.82Å; A90-I225 HydrophobicContact CB-CD1 3.9Å; I225-L231 HydrophobicContact CB-CB 4.43Å; I225-L231 HydrophobicContact CB-CD1 4.42Å; I225-L235 HydrophobicContact CG2-CD1 3.5Å; I225-L235 VanDerWaalsContact CG2-CD1 3.5Å
226D90.8Very high96.1Very high35 Ų3514.6 Ų14.619%0.1879%0.088CC..SBendtrans-83.70.3170.863.1-30.9000112.9S108 P224S108-D226 VanDerWaalsContact CA-OD2 3.29Å; S108-D226 WeakPolarHBondContact CA-OD2 3.32Å; S108-D226 WeakPolarHBondContact CB-OD2 3.49Å; S108-D226 PolarHBondContact OG-OD2 3.46Å; P224-D226 WeakPolarHBondContact CB-OD1 3.45Å
227H86.8Confident96.1Very high49 Ų4911.1 Ų11.123%0.2276%0.059CC..SBendtrans-125.4149.9-179.1-68.672.1000111.5H229 G230 L231 M496H227-H229 PolarHBondContact O-N 2.72Å; H227-H229 VanDerWaalsContact O-N 3.08Å; H227-G230 PolarHBondContact O-N 3.2Å; H227-L231 PolarHBondContact O-N 3.3Å; H227-L231 VanDerWaalsContact O-N 3.11Å; H227-M496 WeakPolarHBondContact CE1-CE 3.45Å; H227-M496 WeakPolarHBondContact ND1-CE 3.33Å
228I95Very high96Very high10 Ų1011 Ų115%0.0516%0.058CC..Hα-helixtrans-50.6-36.9176.3-68.6-63.3000112.5C181 I195 F232 V233 T323 Q326C181-I228 HydrophobicContact CB-CD1 4.09Å; C181-I228 HydrophobicContact CB-CG1 4.36Å; C181-I228 VanDerWaalsContact SG-CD1 3.57Å; I195-I228 HydrophobicContact CG1-CD1 4.22Å; I228-F232 HydrophobicContact CD1-CD2 3.35Å; I228-F232 HydrophobicContact CD1-CE2 3.82Å; I228-F232 HydrophobicContact CD1-CG 4.32Å; I228-F232 HydrophobicContact CG1-CD2 4.49Å; I228-F232 HydrophobicContact CG2-CB 4.48Å; I228-F232 PolarHBondContact O-N 3.15Å; I228-V233 HydrophobicContact CG2-CG2 3.8Å; I228-V233 PolarHBondContact O-N 3.05Å; I228-T323 HydrophobicContact CG1-CG2 3.96Å; I228-Q326 HydrophobicContact CG2-CB 4.25Å; I228-Q326 HydrophobicContact CG2-CG 4.06Å
229H93.2Very high96Very high7 Ų78.4 Ų8.43%0.0325%0.045CC..Iπ-helixtrans-63.3-56.3-176.7-174-170.5000112.9L223 H227 V233 A234 G268 S297 R319L223-H229 WeakPolarHBondContact CD1-NE2 3.44Å; H227-H229 PolarHBondContact O-N 2.72Å; H227-H229 VanDerWaalsContact O-N 3.08Å; H229-V233 WeakPolarHBondContact O-CB 3.35Å; H229-A234 WeakPolarHBondContact O-CB 3.32Å; H229-A234 PolarHBondContact O-N 3Å; H229-G268 PolarHBondContact CE1-O 3.44Å; H229-S297 PolarHBondContact ND1-OG 3.02Å; H229-R319 PolarHBondContact CD2-NH2 3.35Å; H229-R319 PolarHBondContact CE1-NH2 3.3Å; H229-R319 PolarHBondContact ND1-NH2 3.48Å; H229-R319 PolarHBondContact NE2-NH2 3.38Å
230G95.5Very high95.9Very high1 Ų18.8 Ų8.81%0.015%0.047CC..Iπ-helixtrans-72.6-38.4-17900000112.3H221 P224 H227 L235H221-G230 WeakPolarHBondContact NE2-CA 3.5Å; H221-G230 PolarHBondContact NE2-O 2.93Å; P224-G230 WeakPolarHBondContact O-CA 3.41Å; H227-G230 PolarHBondContact O-N 3.2Å; G230-L235 WeakPolarHBondContact O-CG 3.42Å; G230-L235 PolarHBondContact O-N 2.98Å; G230-L235 VanDerWaalsContact O-N 3.16Å
231L97.9Very high95.7Very high1 Ų19.2 Ų9.21%0.0055%0.05CC..Iπ-helixtrans-77.9-68.9-176.6-17455.9000112.3L91 Y104 I225 H227 L235 I236L91-L231 HydrophobicContact CD1-CD1 3.55Å; Y104-L231 HydrophobicContact CD1-CD2 4.27Å; Y104-L231 HydrophobicContact CE1-CD2 3.9Å; I225-L231 HydrophobicContact CB-CB 4.43Å; I225-L231 HydrophobicContact CB-CD1 4.42Å; H227-L231 PolarHBondContact O-N 3.3Å; H227-L231 VanDerWaalsContact O-N 3.11Å; L231-L235 WeakPolarHBondContact O-CB 3.34Å; L231-L235 PolarHBondContact O-N 3.29Å; L231-I236 WeakPolarHBondContact O-CG1 3.37Å; L231-I236 PolarHBondContact O-N 3.37Å
232F98.2Very high95.7Very high4 Ų49.3 Ų9.32%0.0185%0.051CC..Iπ-helixtrans-85.7-40.3-168.8-63.3-70.7000113.8M98 A179 L200 I228 I236 S237M98-F232 HydrophobicContact CE-CE1 3.34Å; M98-F232 HydrophobicContact CE-CZ 3.49Å; M98-F232 VanDerWaalsContact CE-CZ 3.49Å; M98-F232 HydrophobicContact SD-CE1 4.2Å; A179-F232 HydrophobicContact CB-CE2 4.21Å; A179-F232 HydrophobicContact CB-CZ 3.75Å; L200-F232 HydrophobicContact CD1-CD1 3.73Å; L200-F232 HydrophobicContact CD1-CE1 3.45Å; L200-F232 VanDerWaalsContact CD1-CE1 3.45Å; L200-F232 HydrophobicContact CD1-CZ 4.13Å; L200-F232 HydrophobicContact CD2-CB 3.86Å; L200-F232 HydrophobicContact CD2-CD1 3.36Å; L200-F232 HydrophobicContact CD2-CD2 4.12Å; L200-F232 HydrophobicContact CD2-CE1 3.86Å; L200-F232 HydrophobicContact CD2-CG 3.5Å; L200-F232 VanDerWaalsContact CD2-CG 3.5Å; L200-F232 HydrophobicContact CD2-CZ 4.42Å; L200-F232 HydrophobicContact CG-CD1 4.12Å; L200-F232 HydrophobicContact CG-CE1 4.3Å; I228-F232 HydrophobicContact CD1-CD2 3.35Å; I228-F232 HydrophobicContact CD1-CE2 3.82Å; I228-F232 HydrophobicContact CD1-CG 4.32Å; I228-F232 HydrophobicContact CG1-CD2 4.49Å; I228-F232 HydrophobicContact CG2-CB 4.48Å; I228-F232 PolarHBondContact O-N 3.15Å; F232-I236 HydrophobicContact CD1-CG1 3.82Å; F232-I236 HydrophobicContact CE1-CG1 4.44Å; F232-I236 WeakPolarHBondContact O-CB 3.48Å; F232-S237 PolarHBondContact O-OG 3.48Å
233V97.9Very high95.7Very high0 Ų09.2 Ų9.20%05%0.05CC..Iπ-helixtrans-73.3-44.4-179.1172.60000110.7L207 W211 I228 H229 S237 M267 I327L207-V233 HydrophobicContact CD1-CB 4.37Å; L207-V233 HydrophobicContact CD1-CG1 3.84Å; W211-V233 HydrophobicContact CH2-CG1 3.77Å; W211-V233 HydrophobicContact CZ3-CG1 4.01Å; I228-V233 HydrophobicContact CG2-CG2 3.8Å; I228-V233 PolarHBondContact O-N 3.05Å; H229-V233 WeakPolarHBondContact O-CB 3.35Å; V233-S237 WeakPolarHBondContact O-CB 3.41Å; V233-S237 PolarHBondContact O-OG 3.42Å; V233-M267 HydrophobicContact CG1-SD 4.32Å; V233-I327 HydrophobicContact CB-CD1 4.29Å; V233-I327 HydrophobicContact CG1-CD1 3.79Å; V233-I327 HydrophobicContact CG1-CG1 4.12Å; V233-I327 HydrophobicContact CG2-CD1 3.47Å; V233-I327 VanDerWaalsContact CG2-CD1 3.47Å; V233-I327 HydrophobicContact CG2-CG1 3.91Å
234A98.2Very high95.9Very high0 Ų010.2 Ų10.20%06%0.057CC..Iπ-helixtrans-88.2-73.7-178.700000112.5L219 L223 H229 I236 S237 C238 M267L219-A234 HydrophobicContact CD2-CB 4.06Å; L223-A234 HydrophobicContact CD1-CB 4.45Å; H229-A234 WeakPolarHBondContact O-CB 3.32Å; H229-A234 PolarHBondContact O-N 3Å; A234-I236 PolarHBondContact O-N 3.36Å; A234-S237 PolarHBondContact O-N 3.06Å; A234-C238 PolarHBondContact O-N 3.32Å; A234-C238 PolarHBondContact O-SG 3.01Å; A234-M267 HydrophobicContact CB-CB 4.41Å; A234-M267 HydrophobicContact CB-CE 4.5Å; A234-M267 HydrophobicContact CB-CG 4.44Å; A234-M267 HydrophobicContact CB-SD 3.58Å; A234-M267 VanDerWaalsContact CB-SD 3.58Å
235L98.3Very high96.2Very high2 Ų28 Ų81%0.014%0.043CC..Iπ-helixtrans-62.6-48.1-170.5-69.3170.3000113.4F45 L91 H221 I225 G230 L231 C238 L239 T245 L247F45-L235 HydrophobicContact CE1-CD2 4.21Å; L91-L235 HydrophobicContact CD1-CB 4.46Å; L91-L235 HydrophobicContact CD1-CD1 4.09Å; L91-L235 HydrophobicContact CD2-CD1 4.25Å; H221-L235 HydrophobicContact CB-CD2 4.26Å; I225-L235 HydrophobicContact CG2-CD1 3.5Å; I225-L235 VanDerWaalsContact CG2-CD1 3.5Å; G230-L235 WeakPolarHBondContact O-CG 3.42Å; G230-L235 PolarHBondContact O-N 2.98Å; G230-L235 VanDerWaalsContact O-N 3.16Å; L231-L235 WeakPolarHBondContact O-CB 3.34Å; L231-L235 PolarHBondContact O-N 3.29Å; L235-C238 PolarHBondContact O-N 3.49Å; L235-L239 WeakPolarHBondContact O-CG 3.14Å; L235-L239 PolarHBondContact O-N 3.45Å; L235-T245 HydrophobicContact CD2-CG2 3.78Å; L235-L247 HydrophobicContact CD1-CD1 4.46Å; L235-L247 HydrophobicContact CD2-CD1 4.01Å
236I97.5Very high96.4Very high3 Ų37.5 Ų7.52%0.0154%0.041CC..Iπ-helixtrans-64.8-44.8-178.9-62.7-49000111.2L31 L35 L95 L231 F232 A234 C238 L239 M240L31-I236 HydrophobicContact CD1-CG2 4.14Å; L31-I236 HydrophobicContact CD2-CG2 4.13Å; L31-I236 HydrophobicContact CG-CG2 4.49Å; L35-I236 HydrophobicContact CD2-CG2 4.22Å; L95-I236 HydrophobicContact CD2-CD1 3.59Å; L95-I236 HydrophobicContact CG-CD1 4.38Å; L231-I236 WeakPolarHBondContact O-CG1 3.37Å; L231-I236 PolarHBondContact O-N 3.37Å; F232-I236 HydrophobicContact CD1-CG1 3.82Å; F232-I236 HydrophobicContact CE1-CG1 4.44Å; F232-I236 WeakPolarHBondContact O-CB 3.48Å; A234-I236 PolarHBondContact O-N 3.36Å; I236-C238 VanDerWaalsContact C-N 3.27Å; I236-C238 PolarHBondContact O-N 2.81Å; I236-L239 HydrophobicContact CD1-CD1 4.23Å; I236-L239 PolarHBondContact O-N 2.95Å; I236-L239 VanDerWaalsContact O-N 3.15Å; I236-M240 HydrophobicContact CG2-CG 4.3Å; I236-M240 HydrophobicContact CG2-SD 3.95Å; I236-M240 VanDerWaalsContact O-CG 3.28Å; I236-M240 WeakPolarHBondContact O-CG 3.37Å; I236-M240 PolarHBondContact O-N 3.17Å
237S97.1Very high96.8Very high0 Ų06.4 Ų6.40%04%0.035CC..Hα-helixtrans-59.7-37.5176.5-530000112.3F232 V233 A234 M240 S241F232-S237 PolarHBondContact O-OG 3.48Å; V233-S237 WeakPolarHBondContact O-CB 3.41Å; V233-S237 PolarHBondContact O-OG 3.42Å; A234-S237 PolarHBondContact O-N 3.06Å; S237-M240 PolarHBondContact O-N 3.44Å; S237-S241 PolarHBondContact O-N 2.91Å; S237-S241 VanDerWaalsContact O-N 3.12Å; S237-S241 PolarHBondContact O-OG 3.48Å
238C96.5Very high97.3Very high0 Ų04.1 Ų4.10%02%0.024CC..Hα-helixtrans-68.2-39.1175.1-76.50000113.1Y55 L219 A234 L235 I236 M240 S241 G242 S243Y55-C238 PolarHBondContact OH-O 2.85Å; L219-C238 HydrophobicContact CD2-CB 4.33Å; L219-C238 VanDerWaalsContact CD2-SG 3.53Å; A234-C238 PolarHBondContact O-N 3.32Å; A234-C238 PolarHBondContact O-SG 3.01Å; L235-C238 PolarHBondContact O-N 3.49Å; I236-C238 VanDerWaalsContact C-N 3.27Å; I236-C238 PolarHBondContact O-N 2.81Å; C238-M240 VanDerWaalsContact C-N 3.32Å; C238-S241 WeakPolarHBondContact CA-OG 3.38Å; C238-S241 PolarHBondContact O-N 3.12Å; C238-S241 PolarHBondContact O-OG 2.89Å; C238-G242 PolarHBondContact O-N 3.03Å; C238-G242 VanDerWaalsContact O-N 3.13Å; C238-S243 PolarHBondContact O-N 2.84Å
239L97.8Very high97.4Very high1 Ų16.9 Ų6.91%0.0054%0.043CC..Hα-helixtrans-66.8-34.1174-72.5172000112.2L35 H36 F45 Y55 F58 L91 L95 L235 I236 S241 G242L35-L239 HydrophobicContact CD2-CB 3.89Å; H36-L239 WeakPolarHBondContact CB-O 3.48Å; H36-L239 PolarHBondContact N-O 2.68Å; F45-L239 HydrophobicContact CZ-CD2 4.05Å; Y55-L239 HydrophobicContact CE1-CD2 3.74Å; F58-L239 HydrophobicContact CD1-CD2 4.34Å; F58-L239 HydrophobicContact CE1-CD1 4.05Å; F58-L239 HydrophobicContact CE1-CD2 4.18Å; L91-L239 HydrophobicContact CD2-CD1 4.17Å; L95-L239 HydrophobicContact CD1-CD1 3.89Å; L235-L239 WeakPolarHBondContact O-CG 3.14Å; L235-L239 PolarHBondContact O-N 3.45Å; I236-L239 HydrophobicContact CD1-CD1 4.23Å; I236-L239 PolarHBondContact O-N 2.95Å; I236-L239 VanDerWaalsContact O-N 3.15Å; L239-S241 VanDerWaalsContact C-N 3.3Å; L239-G242 PolarHBondContact O-N 2.95Å
240M96.8Very high97.3Very high9 Ų99.5 Ų9.54%0.0447%0.065CC..Hα-helixtrans-67.6-30.1173.2-68.2173.670.300112.2L31 H34 L35 I205 I236 S237 C238L31-M240 HydrophobicContact CD1-SD 4.21Å; H34-M240 HydrophobicContact CB-CE 4.04Å; L35-M240 HydrophobicContact CD2-CG 3.71Å; I205-M240 HydrophobicContact CG1-CE 3.76Å; I236-M240 HydrophobicContact CG2-CG 4.3Å; I236-M240 HydrophobicContact CG2-SD 3.95Å; I236-M240 VanDerWaalsContact O-CG 3.28Å; I236-M240 WeakPolarHBondContact O-CG 3.37Å; I236-M240 PolarHBondContact O-N 3.17Å; S237-M240 PolarHBondContact O-N 3.44Å; C238-M240 VanDerWaalsContact C-N 3.32Å
241S96.4Very high97.1Very high9 Ų912.1 Ų12.16%0.0638%0.077CC..Hα-helixtrans-89.6-4.8177.856.50000115.1S214 K215 S237 C238 L239 S243S214-S241 CarbonylContact C-O 3.58Å; K215-S241 PolarHBondContact N-O 3.42Å; S237-S241 PolarHBondContact O-N 2.91Å; S237-S241 VanDerWaalsContact O-N 3.12Å; S237-S241 PolarHBondContact O-OG 3.48Å; C238-S241 WeakPolarHBondContact CA-OG 3.38Å; C238-S241 PolarHBondContact O-N 3.12Å; C238-S241 PolarHBondContact O-OG 2.89Å; L239-S241 VanDerWaalsContact C-N 3.3Å; S241-S243 PolarHBondContact O-N 3.15Å; S241-S243 PolarHBondContact OG-OG 3.22Å
242G96.9Very high97Very high1 Ų115.5 Ų15.51%0.0110%0.095CC..THydrogen-bonded Turntrans69.819.8-174.800000113.6Y55 K215 C238 L239Y55-G242 VanDerWaalsContact OH-CA 3.28Å; Y55-G242 WeakPolarHBondContact OH-CA 3.3Å; K215-G242 WeakPolarHBondContact CA-O 3.45Å; C238-G242 PolarHBondContact O-N 3.03Å; C238-G242 VanDerWaalsContact O-N 3.13Å; L239-G242 PolarHBondContact O-N 2.95Å
243S97.7Very high96.9Very high0 Ų016.5 Ų16.50%010%0.1CC..  trans-74155.8178.7-53.50000111.4Y55 S214 D217 C238 S241Y55-S243 PolarHBondContact OH-N 2.81Å; Y55-S243 PolarHBondContact OH-O 3.33Å; S214-S243 PolarHBondContact O-OG 2.9Å; D217-S243 WeakPolarHBondContact O-CB 3.36Å; C238-S243 PolarHBondContact O-N 2.84Å; S241-S243 PolarHBondContact O-N 3.15Å; S241-S243 PolarHBondContact OG-OG 3.22Å
244S98.4Very high96.9Very high22 Ų2222.5 Ų22.515%0.15413%0.128CC..EExtended strand (participates in β ladder)trans-87.4158.2170.2-53.60000110.6I43 A44 D217 I218 L219I43-S244 WeakPolarHBondContact O-CB 3.45Å; I43-S244 PolarHBondContact O-OG 2.97Å; A44-S244 CarbonylContact O-C 3.51Å; D217-S244 PolarHBondContact O-N 3.46Å; I218-S244 WeakPolarHBondContact CA-O 3.42Å; L219-S244 PolarHBondContact N-O 2.91Å
245T98.8Very high96.9Very high1 Ų124.6 Ų24.61%0.00614%0.138CC..EExtended strand (participates in β ladder)trans-133.9125.4177.6-62.70000111.4A44 F45 T46 L219 H221 L235 L247A44-T245 PolarHBondContact O-N 3.12Å; F45-T245 CarbonylContact C-O 3.6Å; F45-T245 VanDerWaalsContact CA-O 3.26Å; F45-T245 WeakPolarHBondContact CA-O 3.21Å; F45-T245 HydrophobicContact CD1-CG2 4.2Å; F45-T245 HydrophobicContact CE1-CG2 4.28Å; T46-T245 PolarHBondContact N-O 3.33Å; L219-T245 HydrophobicContact CB-CG2 4.39Å; L219-T245 HydrophobicContact CD2-CG2 4.23Å; L219-T245 HydrophobicContact CG-CG2 4.35Å; L219-T245 CarbonylContact O-C 3.52Å; L219-T245 WeakPolarHBondContact O-CA 3.18Å; H221-T245 HydrophobicContact CB-CG2 3.46Å; H221-T245 VanDerWaalsContact CB-CG2 3.46Å; L235-T245 HydrophobicContact CD2-CG2 3.78Å; T245-L247 HydrophobicContact CG2-CB 4.49Å; T245-L247 HydrophobicContact CG2-CD1 4.38Å; T245-L247 PolarHBondContact O-N 2.97Å
246I98.8Very high96.9Very high3 Ų324.5 Ų24.52%0.01514%0.137CC..EExtended strand (participates in β ladder)trans-79.5108.7163.4-64.5159.6000107.7T46 I218 L219 L220 H221 L248 W259 K262 S263T46-I246 CarbonylContact O-C 3.5Å; T46-I246 VanDerWaalsContact O-CA 3.28Å; T46-I246 WeakPolarHBondContact O-CA 3.29Å; I218-I246 HydrophobicContact CG2-CD1 3.71Å; I218-I246 HydrophobicContact CG2-CG1 3.88Å; L219-I246 PolarHBondContact O-N 3.45Å; L220-I246 HydrophobicContact CD1-CB 4Å; L220-I246 HydrophobicContact CD1-CG2 3.75Å; H221-I246 PolarHBondContact N-O 3.04Å; I246-L248 HydrophobicContact CG2-CD2 4.09Å; I246-L248 HydrophobicContact CG2-CG 4.48Å; I246-L248 PolarHBondContact O-N 3.42Å; I246-W259 HydrophobicContact CD1-CB 4.32Å; I246-W259 HydrophobicContact CD1-CD2 4.45Å; I246-W259 HydrophobicContact CD1-CE3 3.79Å; I246-W259 HydrophobicContact CG1-CE3 4.16Å; I246-W259 HydrophobicContact CG2-CB 4Å; I246-W259 HydrophobicContact CG2-CD2 3.73Å; I246-W259 HydrophobicContact CG2-CE3 4.01Å; I246-W259 HydrophobicContact CG2-CG 3.73Å; I246-K262 HydrophobicContact CD1-CB 3.93Å; I246-S263 WeakPolarHBondContact CD1-OG 3.26Å
247L98.5Very high96.9Very high11 Ų1125.6 Ų25.66%0.05814%0.144CC..EExtended strand (participates in β ladder)trans-98.590.9-169.8-168.669.7000111F45 T46 K86 K88 H221 L235 T245F45-L247 HydrophobicContact CD1-CB 4.24Å; F45-L247 HydrophobicContact CD1-CD2 4.28Å; T46-L247 PolarHBondContact O-N 3.37Å; K86-L247 HydrophobicContact CD-CD1 3.86Å; K86-L247 HydrophobicContact CG-CD1 4.03Å; K86-L247 HydrophobicContact CG-CG 4.4Å; K88-L247 HydrophobicContact CG-CD2 4.4Å; H221-L247 HydrophobicContact CB-CD1 4.45Å; L235-L247 HydrophobicContact CD1-CD1 4.46Å; L235-L247 HydrophobicContact CD2-CD1 4.01Å; T245-L247 HydrophobicContact CG2-CB 4.49Å; T245-L247 HydrophobicContact CG2-CD1 4.38Å; T245-L247 PolarHBondContact O-N 2.97Å
248L98.4Very high97Very high1 Ų132.4 Ų32.41%0.00517%0.17CC..  trans-82.9130.6176.9-59.1-173000111H48 K86 L220 H221 A222 I246 A250 Q255 V256 W259H48-L248 HydrophobicContact CB-CD2 3.86Å; K86-L248 WeakPolarHBondContact CE-O 3.2Å; K86-L248 PolarHBondContact NZ-O 3.47Å; L220-L248 HydrophobicContact CD1-CD1 3.89Å; L220-L248 HydrophobicContact CD1-CG 4.12Å; H221-L248 PolarHBondContact O-N 2.88Å; A222-L248 HydrophobicContact CB-CD1 4.42Å; I246-L248 HydrophobicContact CG2-CD2 4.09Å; I246-L248 HydrophobicContact CG2-CG 4.48Å; I246-L248 PolarHBondContact O-N 3.42Å; L248-A250 PolarHBondContact O-N 2.95Å; L248-A250 VanDerWaalsContact O-N 3.09Å; L248-Q255 HydrophobicContact CD1-CB 4.1Å; L248-Q255 HydrophobicContact CD2-CB 4.42Å; L248-V256 HydrophobicContact CD1-CG2 3.93Å; L248-W259 HydrophobicContact CD2-CG 4.39Å
249P96.1Very high97.1Very high68 Ų6833.8 Ų33.844%0.44218%0.175SC..SBendtrans-52.1-39.3-176.2-2833.7000114.8K86K86-P249 WeakPolarHBondContact CE-O 3.42Å
250A92.6Very high97.1Very high62 Ų6233.8 Ų33.851%0.51218%0.175SC..SBendtrans-148.4178.7175.200000109.7L248 D252L248-A250 PolarHBondContact O-N 2.95Å; L248-A250 VanDerWaalsContact O-N 3.09Å; A250-D252 PolarHBondContact O-N 2.87Å
251F91.1Very high97.1Very high57 Ų5737.6 Ų37.625%0.2520%0.201CC..  trans-74121.8169.1-178-95.8000110.8A222 I253 V256 Y272 R275A222-F251 HydrophobicContact CB-CB 4.15Å; A222-F251 HydrophobicContact CB-CD2 3.99Å; A222-F251 PolarHBondContact O-N 3.18Å; F251-I253 HydrophobicContact CE1-CB 4.45Å; F251-I253 HydrophobicContact CZ-CB 4.44Å; F251-I253 HydrophobicContact CZ-CD1 4.16Å; F251-V256 HydrophobicContact CD2-CG2 3.89Å; F251-V256 HydrophobicContact CE2-CG2 3.81Å; F251-Y272 HydrophobicContact CB-CD1 4.36Å; F251-Y272 HydrophobicContact CB-CE1 3.52Å; F251-Y272 WeakPolarHBondContact CB-OH 3.25Å; F251-Y272 HydrophobicContact CD1-CD1 4.16Å; F251-Y272 HydrophobicContact CD1-CE1 4.07Å; F251-Y272 AromaticContact CD2-CD1 3.24Å; F251-Y272 HydrophobicContact CD2-CD1 3.24Å; F251-Y272 AromaticContact CD2-CD2 3.68Å; F251-Y272 HydrophobicContact CD2-CD2 3.68Å; F251-Y272 AromaticContact CD2-CE1 3.22Å; F251-Y272 HydrophobicContact CD2-CE1 3.22Å; F251-Y272 AromaticContact CD2-CE2 3.65Å; F251-Y272 HydrophobicContact CD2-CE2 3.65Å; F251-Y272 AromaticContact CD2-CG 3.49Å; F251-Y272 HydrophobicContact CD2-CG 3.49Å; F251-Y272 VanDerWaalsContact CD2-CG 3.49Å; F251-Y272 AromaticContact CD2-CZ 3.42Å; F251-Y272 VanDerWaalsContact CD2-CZ 3.42Å; F251-Y272 HydrophobicContact CE1-CD1 4.28Å; F251-Y272 AromaticContact CE2-CD1 3.37Å; F251-Y272 HydrophobicContact CE2-CD1 3.37Å; F251-Y272 AromaticContact CE2-CD2 3.84Å; F251-Y272 HydrophobicContact CE2-CD2 3.84Å; F251-Y272 AromaticContact CE2-CE1 3.89Å; F251-Y272 HydrophobicContact CE2-CE1 3.89Å; F251-Y272 HydrophobicContact CE2-CE2 4.3Å; F251-Y272 AromaticContact CE2-CG 3.36Å; F251-Y272 HydrophobicContact CE2-CG 3.36Å; F251-Y272 AromaticContact CG-CD1 3.66Å; F251-Y272 HydrophobicContact CG-CD1 3.66Å; F251-Y272 AromaticContact CG-CE1 3.31Å; F251-Y272 HydrophobicContact CG-CE1 3.31Å; F251-Y272 HydrophobicContact CG-CE2 4.42Å; F251-Y272 HydrophobicContact CG-CG 4.36Å; F251-Y272 AromaticContact CG-CZ 3.74Å; F251-Y272 AromaticContact CZ-CD1 3.9Å; F251-Y272 HydrophobicContact CZ-CD1 3.9Å; F251-Y272 HydrophobicContact CZ-CG 4.16Å; F251-R275 HydrophobicContact CE1-CB 4.18Å; F251-R275 HydrophobicContact CE1-CG 4.1Å; F251-R275 HydrophobicContact CZ-CB 3.93Å; F251-R275 HydrophobicContact CZ-CG 4.3Å
252D95.3Very high97.2Very high72 Ų7244 Ų4439%0.38523%0.228SC..  trans-138.4128.1169.3174.1-90.8000107.1A250 E254 Q255 V256A250-D252 PolarHBondContact O-N 2.87Å; D252-E254 PolarHBondContact O-N 3.36Å; D252-E254 WeakPolarHBondContact OD1-CB 3.49Å; D252-E254 PolarHBondContact OD1-N 2.83Å; D252-E254 VanDerWaalsContact OD1-N 3.16Å; D252-Q255 HydrophobicContact CB-CB 4.1Å; D252-Q255 HydrophobicContact CB-CG 4.19Å; D252-Q255 PolarHBondContact O-N 3.08Å; D252-Q255 WeakPolarHBondContact OD1-CG 3.43Å; D252-Q255 PolarHBondContact OD1-N 3.31Å; D252-V256 WeakPolarHBondContact O-CB 3.14Å; D252-V256 VanDerWaalsContact O-CG2 3.28Å; D252-V256 WeakPolarHBondContact O-CG2 3.12Å; D252-V256 PolarHBondContact O-N 3.35Å
253I95.9Very high97.3Very high24 Ų2444.1 Ų44.112%0.12323%0.228CC..Hα-helixtrans-68.6-35.7-170-17458.3000112F251 V256 V257 R275 L276 F279F251-I253 HydrophobicContact CE1-CB 4.45Å; F251-I253 HydrophobicContact CZ-CB 4.44Å; F251-I253 HydrophobicContact CZ-CD1 4.16Å; I253-V256 PolarHBondContact O-N 2.76Å; I253-V257 HydrophobicContact CD1-CG2 4.33Å; I253-V257 WeakPolarHBondContact O-CB 3.5Å; I253-V257 VanDerWaalsContact O-CG2 3.31Å; I253-V257 WeakPolarHBondContact O-CG2 3.44Å; I253-V257 PolarHBondContact O-N 2.95Å; I253-R275 HydrophobicContact CD1-CB 4.1Å; I253-L276 HydrophobicContact CD1-CD2 3.85Å; I253-L276 HydrophobicContact CD1-CG 4.11Å; I253-F279 HydrophobicContact CD1-CB 4.35Å; I253-F279 HydrophobicContact CG1-CB 3.74Å; I253-F279 HydrophobicContact CG1-CD1 3.67Å; I253-F279 HydrophobicContact CG1-CD2 4.27Å; I253-F279 HydrophobicContact CG1-CE1 4.34Å; I253-F279 HydrophobicContact CG1-CG 3.65Å; I253-F279 HydrophobicContact CG2-CD1 4.42Å; I253-F279 HydrophobicContact CG2-CD2 4.13Å; I253-F279 HydrophobicContact CG2-CE1 4.42Å; I253-F279 HydrophobicContact CG2-CE2 4.1Å; I253-F279 HydrophobicContact CG2-CG 4.31Å; I253-F279 HydrophobicContact CG2-CZ 4.26Å
254E97.9Very high97.3Very high127 Ų12745.7 Ų45.759%0.59324%0.237SC*.Hα-helixtrans-67.7-43.8178.6-64.1-179.5-17100110.5D252 V257 R258 F279D252-E254 PolarHBondContact O-N 3.36Å; D252-E254 WeakPolarHBondContact OD1-CB 3.49Å; D252-E254 PolarHBondContact OD1-N 2.83Å; D252-E254 VanDerWaalsContact OD1-N 3.16Å; E254-V257 PolarHBondContact O-N 2.63Å; E254-R258 VanDerWaalsContact O-CB 3.31Å; E254-R258 WeakPolarHBondContact O-CB 3.26Å; E254-R258 PolarHBondContact O-N 2.69Å; E254-F279 HydrophobicContact CG-CE1 4.24Å; E254-F279 HydrophobicContact CG-CZ 3.85Å
255Q98Very high97.3Very high43 Ų4344.6 Ų44.620%0.20123%0.23CC..Hα-helixtrans-65.7-39.3175.1-68.3-75.287.100111.8L248 D252 R258 W259L248-Q255 HydrophobicContact CD1-CB 4.1Å; L248-Q255 HydrophobicContact CD2-CB 4.42Å; D252-Q255 HydrophobicContact CB-CB 4.1Å; D252-Q255 HydrophobicContact CB-CG 4.19Å; D252-Q255 PolarHBondContact O-N 3.08Å; D252-Q255 WeakPolarHBondContact OD1-CG 3.43Å; D252-Q255 PolarHBondContact OD1-N 3.31Å; Q255-R258 PolarHBondContact O-N 3.09Å; Q255-W259 PolarHBondContact O-N 3.23Å; Q255-W259 VanDerWaalsContact O-N 3.14Å
256V98.4Very high97.3Very high0 Ų044.6 Ų44.60%023%0.23CC..Hα-helixtrans-59.9-50.7173.8165.10000110.2L220 A222 L248 F251 D252 I253 R258 W259 L260 M266 L276L220-V256 HydrophobicContact CD2-CB 4.45Å; L220-V256 HydrophobicContact CD2-CG1 3.95Å; A222-V256 HydrophobicContact CB-CG2 4.32Å; L248-V256 HydrophobicContact CD1-CG2 3.93Å; F251-V256 HydrophobicContact CD2-CG2 3.89Å; F251-V256 HydrophobicContact CE2-CG2 3.81Å; D252-V256 WeakPolarHBondContact O-CB 3.14Å; D252-V256 VanDerWaalsContact O-CG2 3.28Å; D252-V256 WeakPolarHBondContact O-CG2 3.12Å; D252-V256 PolarHBondContact O-N 3.35Å; I253-V256 PolarHBondContact O-N 2.76Å; V256-R258 VanDerWaalsContact C-N 3.33Å; V256-R258 PolarHBondContact O-N 3.46Å; V256-W259 PolarHBondContact O-N 3.21Å; V256-L260 HydrophobicContact CG1-CD1 4.44Å; V256-L260 HydrophobicContact CG1-CG 4.33Å; V256-L260 WeakPolarHBondContact O-CG 3.38Å; V256-L260 PolarHBondContact O-N 3.06Å; V256-M266 HydrophobicContact CG1-SD 4.21Å; V256-L276 HydrophobicContact CG1-CD2 4.21Å
257V98.3Very high97.3Very high27 Ų2744.5 Ų44.516%0.16423%0.229CC..Hα-helixtrans-60.3-42179.1166.50000112I253 E254 W259 P261 L276 F279 H281I253-V257 HydrophobicContact CD1-CG2 4.33Å; I253-V257 WeakPolarHBondContact O-CB 3.5Å; I253-V257 VanDerWaalsContact O-CG2 3.31Å; I253-V257 WeakPolarHBondContact O-CG2 3.44Å; I253-V257 PolarHBondContact O-N 2.95Å; E254-V257 PolarHBondContact O-N 2.63Å; V257-W259 VanDerWaalsContact C-N 3.27Å; V257-W259 PolarHBondContact O-N 3.03Å; V257-P261 WeakPolarHBondContact O-CD 3.48Å; V257-L276 HydrophobicContact CG2-CD2 4.15Å; V257-F279 HydrophobicContact CG2-CD1 4.1Å; V257-H281 WeakPolarHBondContact CG1-CE1 2.99Å; V257-H281 HydrophobicContact CG2-CB 4.01Å
258R97.9Very high96.9Very high143 Ų14344 Ų4454%0.5423%0.227SC..Hα-helixtrans-57.5-39.6176.7176.4-178.1174.9-172.9-1.7112.5E254 Q255 V256E254-R258 VanDerWaalsContact O-CB 3.31Å; E254-R258 WeakPolarHBondContact O-CB 3.26Å; E254-R258 PolarHBondContact O-N 2.69Å; Q255-R258 PolarHBondContact O-N 3.09Å; V256-R258 VanDerWaalsContact C-N 3.33Å; V256-R258 PolarHBondContact O-N 3.46Å
259W98.4Very high96.3Very high29 Ų2944.4 Ų44.411%0.1123%0.229CC..Hα-helixtrans-96.5-13.7-172.9-75.4108.9000114.5T46 L220 I246 L248 Q255 V256 V257 P261 K262 S263T46-W259 HydrophobicContact CG2-CH2 3.79Å; T46-W259 HydrophobicContact CG2-CZ3 4.03Å; L220-W259 HydrophobicContact CD1-CB 3.69Å; I246-W259 HydrophobicContact CD1-CB 4.32Å; I246-W259 HydrophobicContact CD1-CD2 4.45Å; I246-W259 HydrophobicContact CD1-CE3 3.79Å; I246-W259 HydrophobicContact CG1-CE3 4.16Å; I246-W259 HydrophobicContact CG2-CB 4Å; I246-W259 HydrophobicContact CG2-CD2 3.73Å; I246-W259 HydrophobicContact CG2-CE3 4.01Å; I246-W259 HydrophobicContact CG2-CG 3.73Å; L248-W259 HydrophobicContact CD2-CG 4.39Å; Q255-W259 PolarHBondContact O-N 3.23Å; Q255-W259 VanDerWaalsContact O-N 3.14Å; V256-W259 PolarHBondContact O-N 3.21Å; V257-W259 VanDerWaalsContact C-N 3.27Å; V257-W259 PolarHBondContact O-N 3.03Å; W259-P261 VanDerWaalsContact C-CD 3.44Å; W259-P261 VanDerWaalsContact C-N 3.34Å; W259-K262 HydrophobicContact CE3-CB 4.28Å; W259-K262 HydrophobicContact CE3-CG 4.36Å; W259-K262 PolarHBondContact O-N 3.39Å; W259-S263 PolarHBondContact O-N 3.49Å; W259-S263 PolarHBondContact O-OG 3.49Å
260L98.4Very high95.7Very high0 Ų042 Ų420%021%0.214CC..G310 helixtrans-49.5-45.1174.8-86174.9000113.6L220 V256 K262 S263 L276 T286 L287 H289 M290L220-L260 HydrophobicContact CD2-CD2 3.95Å; L220-L260 HydrophobicContact CD2-CG 4.12Å; V256-L260 HydrophobicContact CG1-CD1 4.44Å; V256-L260 HydrophobicContact CG1-CG 4.33Å; V256-L260 WeakPolarHBondContact O-CG 3.38Å; V256-L260 PolarHBondContact O-N 3.06Å; L260-K262 PolarHBondContact O-N 2.84Å; L260-S263 WeakPolarHBondContact O-CB 3.38Å; L260-S263 PolarHBondContact O-N 2.94Å; L260-L276 HydrophobicContact CD1-CD2 3.84Å; L260-T286 HydrophobicContact CD1-CG2 3.83Å; L260-L287 HydrophobicContact CD1-CD2 3.94Å; L260-L287 HydrophobicContact CD2-CD2 3.92Å; L260-H289 PolarHBondContact O-CE1 3.48Å; L260-H289 PolarHBondContact O-NE2 3.45Å; L260-M290 HydrophobicContact CD2-CE 4.11Å; L260-M290 HydrophobicContact CD2-SD 3.98Å
261P98Very high95.2Very high90 Ų9041.2 Ų41.258%0.58420%0.202SC*.G310 helixtrans-61.4-18.1179.7-25.235.5000115.1V257 W259V257-P261 WeakPolarHBondContact O-CD 3.48Å; W259-P261 VanDerWaalsContact C-CD 3.44Å; W259-P261 VanDerWaalsContact C-N 3.34Å
262K97.9Very high95.1Very high144 Ų14439.1 Ų39.163%0.62619%0.193SC*.G310 helixtrans-101.90.1177.7-61.7-62.5-174.9178.20113I218 I246 W259 L260I218-K262 VanDerWaalsContact CD1-O 3.23Å; I218-K262 WeakPolarHBondContact CD1-O 3.44Å; I218-K262 WeakPolarHBondContact CG2-O 3.38Å; I246-K262 HydrophobicContact CD1-CB 3.93Å; W259-K262 HydrophobicContact CE3-CB 4.28Å; W259-K262 HydrophobicContact CE3-CG 4.36Å; W259-K262 PolarHBondContact O-N 3.39Å; L260-K262 PolarHBondContact O-N 2.84Å
263S98.6Very high95Very high2 Ų235.7 Ų35.71%0.01418%0.175CC..  trans-104.9147.5-174-54.30000110.7L220 I246 W259 L260 H289 M290L220-S263 WeakPolarHBondContact CB-OG 3.03Å; I246-S263 WeakPolarHBondContact CD1-OG 3.26Å; W259-S263 PolarHBondContact O-N 3.49Å; W259-S263 PolarHBondContact O-OG 3.49Å; L260-S263 WeakPolarHBondContact O-CB 3.38Å; L260-S263 PolarHBondContact O-N 2.94Å; S263-H289 PolarHBondContact O-CD2 3.26Å; S263-H289 PolarHBondContact O-NE2 2.97Å; S263-M290 VanDerWaalsContact O-SD 3.33Å
264T98.7Very high94.6Very high33 Ų3336 Ų3620%0.20218%0.178CC..SBendtrans-105.4-22.817068.60000111.5D217 I218 R291 L292D217-T264 VanDerWaalsContact CA-OG1 3.28Å; D217-T264 WeakPolarHBondContact CA-OG1 3.36Å; D217-T264 PolarHBondContact OD1-OG1 2.71Å; D217-T264 VanDerWaalsContact OD1-OG1 3.06Å; I218-T264 HydrophobicContact CB-CG2 4.5Å; I218-T264 PolarHBondContact N-OG1 3.15Å; I218-T264 PolarHBondContact O-N 3.15Å; T264-R291 WeakPolarHBondContact O-CB 3.37Å; T264-R291 PolarHBondContact O-N 3.41Å; T264-L292 PolarHBondContact O-N 3.31Å
265M98.5Very high94.2Very high0 Ų036.3 Ų36.30%017%0.173CC..EExtended strand (participates in β ladder)trans-145.5153.3-17867179.7-66.300113L213 D217 I218 L219 L220 M267 M290 L292L213-M265 HydrophobicContact CD2-CE 3.67Å; L213-M265 HydrophobicContact CD2-SD 3.84Å; D217-M265 HydrophobicContact CB-SD 3.96Å; I218-M265 PolarHBondContact O-N 3.1Å; I218-M265 VanDerWaalsContact O-N 3.15Å; L219-M265 HydrophobicContact CB-CG 4.07Å; L219-M265 HydrophobicContact CB-SD 4.38Å; L219-M265 HydrophobicContact CD1-CE 4.19Å; L219-M265 HydrophobicContact CD1-CG 4.1Å; L220-M265 PolarHBondContact N-O 3.16Å; M265-M267 HydrophobicContact CE-CE 3.34Å; M265-M267 HydrophobicContact CE-CG 4.24Å; M265-M290 VanDerWaalsContact C-CE 3.46Å; M265-L292 CarbonylContact C-O 3.59Å; M265-L292 WeakPolarHBondContact CA-O 3.41Å; M265-L292 HydrophobicContact CB-CB 3.95Å; M265-L292 WeakPolarHBondContact CB-O 2.89Å; M265-L292 HydrophobicContact CE-CD2 4.05Å
266M98.6Very high94.1Very high1 Ų134.2 Ų34.21%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-139.9129.5172.6-174.7-179.566.900110L220 V256 Y273 L276 M290 L292 L293 I294L220-M266 HydrophobicContact CB-CB 4.33Å; L220-M266 HydrophobicContact CB-CG 4.33Å; L220-M266 HydrophobicContact CD2-SD 4.32Å; V256-M266 HydrophobicContact CG1-SD 4.21Å; M266-Y273 HydrophobicContact CE-CD1 4.18Å; M266-Y273 HydrophobicContact CE-CE1 3.61Å; M266-Y273 PolarHBondContact O-OH 2.74Å; M266-L276 HydrophobicContact CE-CD1 3.76Å; M266-M290 HydrophobicContact CB-CE 4.12Å; M266-L292 PolarHBondContact N-O 3.18Å; M266-L293 HydrophobicContact CB-CD2 4Å; M266-L293 HydrophobicContact CE-CD2 4.31Å; M266-I294 PolarHBondContact O-N 3.04Å
267M98Very high93.8Very high0 Ų035.7 Ų35.70%017%0.171CC..EExtended strand (participates in β ladder)trans-103.2132.1167.1-55.7-168.1-167.200108.9W211 L219 L223 V233 A234 M265 I294W211-M267 HydrophobicContact CE3-CE 3.82Å; W211-M267 HydrophobicContact CZ3-CE 3.58Å; W211-M267 HydrophobicContact CZ3-SD 4.05Å; L219-M267 HydrophobicContact CD1-CB 4.44Å; L219-M267 HydrophobicContact CD1-CG 4.03Å; L223-M267 HydrophobicContact CD1-CB 3.97Å; L223-M267 WeakPolarHBondContact CD1-O 3.45Å; V233-M267 HydrophobicContact CG1-SD 4.32Å; A234-M267 HydrophobicContact CB-CB 4.41Å; A234-M267 HydrophobicContact CB-CE 4.5Å; A234-M267 HydrophobicContact CB-CG 4.44Å; A234-M267 HydrophobicContact CB-SD 3.58Å; A234-M267 VanDerWaalsContact CB-SD 3.58Å; M265-M267 HydrophobicContact CE-CE 3.34Å; M265-M267 HydrophobicContact CE-CG 4.24Å; M267-I294 WeakPolarHBondContact CA-O 3.39Å; M267-I294 HydrophobicContact CE-CD1 4.11Å; M267-I294 HydrophobicContact CG-CB 4.24Å; M267-I294 HydrophobicContact CG-CD1 4.18Å; M267-I294 HydrophobicContact SD-CD1 4.44Å
268G89.1Confident93.5Very high0 Ų039.8 Ų39.80%019%0.192CC..EExtended strand (participates in β ladder)trans-150.8166.3-172.500000114H229 Y272 I294 S295 G296H229-G268 PolarHBondContact CE1-O 3.44Å; G268-Y272 VanDerWaalsContact CA-CD2 3.45Å; G268-I294 PolarHBondContact N-O 3.46Å; G268-S295 WeakPolarHBondContact O-CA 3.39Å; G268-G296 PolarHBondContact O-N 2.87Å; G268-G296 VanDerWaalsContact O-N 3.12Å
269V86.8Confident93.4Very high11 Ų1137.5 Ų37.57%0.06719%0.186CC..  trans-83.6160.2163.1-60.20000109.3L223 T271 Y272 Y273L223-V269 HydrophobicContact CD2-CG1 4.02Å; V269-T271 PolarHBondContact O-N 2.86Å; V269-Y272 HydrophobicContact CG2-CD1 3.67Å; V269-Y272 HydrophobicContact CG2-CE1 3.72Å; V269-Y272 HydrophobicContact CG2-CG 4.36Å; V269-Y272 WeakPolarHBondContact O-CB 3.5Å; V269-Y272 PolarHBondContact O-N 3.18Å; V269-Y273 WeakPolarHBondContact O-CD2 3.46Å
270P83.6Confident93.3Very high17 Ų1737.9 Ų37.911%0.1120%0.199CC..Hα-helixtrans-48.1-36.8179.1-31.635.5000114.3Y272 Y273 T274 G296 A298 P299 L300P270-Y272 PolarHBondContact O-N 2.9Å; P270-Y273 PolarHBondContact O-N 3.17Å; P270-Y273 VanDerWaalsContact O-N 3.1Å; P270-T274 PolarHBondContact O-N 3.02Å; P270-T274 VanDerWaalsContact O-N 3.1Å; P270-G296 WeakPolarHBondContact CD-O 3.11Å; P270-A298 HydrophobicContact CG-CB 4.01Å; P270-A298 VanDerWaalsContact CG-O 3.24Å; P270-A298 WeakPolarHBondContact CG-O 3.24Å; P270-P299 WeakPolarHBondContact CG-O 2.96Å; P270-L300 HydrophobicContact CB-CD1 4.29Å
271T81.3Confident93.3Very high45 Ų4540 Ų4028%0.27621%0.209SC..Hα-helixtrans-59.2-29.8177.9-53.70000113.7V269 Y273 T274 R275V269-T271 PolarHBondContact O-N 2.86Å; T271-Y273 VanDerWaalsContact C-N 3.29Å; T271-Y273 PolarHBondContact O-N 2.79Å; T271-T274 WeakPolarHBondContact CA-OG1 3.2Å; T271-T274 PolarHBondContact O-OG1 2.77Å; T271-R275 HydrophobicContact CG2-CG 4.06Å; T271-R275 VanDerWaalsContact O-CB 3.31Å; T271-R275 WeakPolarHBondContact O-CB 2.78Å; T271-R275 WeakPolarHBondContact O-CG 3.49Å; T271-R275 PolarHBondContact O-N 3.37Å
272Y90.4Very high93.2Very high14 Ų1436.1 Ų36.16%0.05518%0.184CC..Hα-helixtrans-64.3-41177.6-70.411.3000110.5A222 L223 F251 G268 V269 P270 R275 L276A222-Y272 VanDerWaalsContact C-OH 3.26Å; A222-Y272 HydrophobicContact CB-CE2 3.74Å; A222-Y272 PolarHBondContact O-OH 3.41Å; L223-Y272 WeakPolarHBondContact CA-OH 3.37Å; L223-Y272 HydrophobicContact CD2-CE2 4.12Å; L223-Y272 HydrophobicContact CG-CE2 4.21Å; L223-Y272 PolarHBondContact N-OH 3.3Å; F251-Y272 HydrophobicContact CB-CD1 4.36Å; F251-Y272 HydrophobicContact CB-CE1 3.52Å; F251-Y272 WeakPolarHBondContact CB-OH 3.25Å; F251-Y272 HydrophobicContact CD1-CD1 4.16Å; F251-Y272 HydrophobicContact CD1-CE1 4.07Å; F251-Y272 AromaticContact CD2-CD1 3.24Å; F251-Y272 HydrophobicContact CD2-CD1 3.24Å; F251-Y272 AromaticContact CD2-CD2 3.68Å; F251-Y272 HydrophobicContact CD2-CD2 3.68Å; F251-Y272 AromaticContact CD2-CE1 3.22Å; F251-Y272 HydrophobicContact CD2-CE1 3.22Å; F251-Y272 AromaticContact CD2-CE2 3.65Å; F251-Y272 HydrophobicContact CD2-CE2 3.65Å; F251-Y272 AromaticContact CD2-CG 3.49Å; F251-Y272 HydrophobicContact CD2-CG 3.49Å; F251-Y272 VanDerWaalsContact CD2-CG 3.49Å; F251-Y272 AromaticContact CD2-CZ 3.42Å; F251-Y272 VanDerWaalsContact CD2-CZ 3.42Å; F251-Y272 HydrophobicContact CE1-CD1 4.28Å; F251-Y272 AromaticContact CE2-CD1 3.37Å; F251-Y272 HydrophobicContact CE2-CD1 3.37Å; F251-Y272 AromaticContact CE2-CD2 3.84Å; F251-Y272 HydrophobicContact CE2-CD2 3.84Å; F251-Y272 AromaticContact CE2-CE1 3.89Å; F251-Y272 HydrophobicContact CE2-CE1 3.89Å; F251-Y272 HydrophobicContact CE2-CE2 4.3Å; F251-Y272 AromaticContact CE2-CG 3.36Å; F251-Y272 HydrophobicContact CE2-CG 3.36Å; F251-Y272 AromaticContact CG-CD1 3.66Å; F251-Y272 HydrophobicContact CG-CD1 3.66Å; F251-Y272 AromaticContact CG-CE1 3.31Å; F251-Y272 HydrophobicContact CG-CE1 3.31Å; F251-Y272 HydrophobicContact CG-CE2 4.42Å; F251-Y272 HydrophobicContact CG-CG 4.36Å; F251-Y272 AromaticContact CG-CZ 3.74Å; F251-Y272 AromaticContact CZ-CD1 3.9Å; F251-Y272 HydrophobicContact CZ-CD1 3.9Å; F251-Y272 HydrophobicContact CZ-CG 4.16Å; G268-Y272 VanDerWaalsContact CA-CD2 3.45Å; V269-Y272 HydrophobicContact CG2-CD1 3.67Å; V269-Y272 HydrophobicContact CG2-CE1 3.72Å; V269-Y272 HydrophobicContact CG2-CG 4.36Å; V269-Y272 WeakPolarHBondContact O-CB 3.5Å; V269-Y272 PolarHBondContact O-N 3.18Å; P270-Y272 PolarHBondContact O-N 2.9Å; Y272-R275 PolarHBondContact O-N 3.23Å; Y272-L276 WeakPolarHBondContact O-CG 3.41Å; Y272-L276 PolarHBondContact O-N 2.77Å
273Y92.7Very high93.2Very high0 Ų032.8 Ų32.80%017%0.171CC..Hα-helixtrans-72.4-43.5-179.3-57.3-75.5000111.6M266 V269 P270 T271 R275 L276 I277 L293 I294 L300 F308 I316M266-Y273 HydrophobicContact CE-CD1 4.18Å; M266-Y273 HydrophobicContact CE-CE1 3.61Å; M266-Y273 PolarHBondContact O-OH 2.74Å; V269-Y273 WeakPolarHBondContact O-CD2 3.46Å; P270-Y273 PolarHBondContact O-N 3.17Å; P270-Y273 VanDerWaalsContact O-N 3.1Å; T271-Y273 VanDerWaalsContact C-N 3.29Å; T271-Y273 PolarHBondContact O-N 2.79Å; Y273-R275 VanDerWaalsContact C-N 3.3Å; Y273-R275 PolarHBondContact O-N 2.83Å; Y273-L276 PolarHBondContact O-N 2.64Å; Y273-I277 PolarHBondContact O-N 3.24Å; Y273-I277 VanDerWaalsContact O-N 3.1Å; Y273-L293 HydrophobicContact CE1-CB 4.04Å; Y273-L293 HydrophobicContact CE1-CD2 4.47Å; Y273-I294 PolarHBondContact OH-N 3.42Å; Y273-I294 PolarHBondContact OH-O 3.4Å; Y273-L300 HydrophobicContact CD2-CD1 4.4Å; Y273-F308 AromaticContact CD1-CE1 3.89Å; Y273-F308 HydrophobicContact CD1-CE1 3.89Å; Y273-F308 HydrophobicContact CD1-CE2 4.19Å; Y273-F308 AromaticContact CD1-CZ 3.64Å; Y273-F308 HydrophobicContact CD1-CZ 3.64Å; Y273-F308 HydrophobicContact CG-CE2 4.43Å; Y273-F308 HydrophobicContact CG-CZ 4.24Å; Y273-F308 WeakPolarHBondContact O-CE2 3.4Å; Y273-I316 HydrophobicContact CD1-CD1 3.55Å; Y273-I316 HydrophobicContact CD1-CG1 4.19Å; Y273-I316 HydrophobicContact CE1-CD1 4.1Å; Y273-I316 HydrophobicContact CE1-CG1 4.28Å; Y273-I316 HydrophobicContact CE1-CG2 4.47Å; Y273-I316 HydrophobicContact CG-CD1 3.79Å
274T87Confident93.2Very high30 Ų3040.2 Ų40.218%0.18420%0.198CC..Hα-helixtrans-62.9-38.8174.764.30000111.3P270 T271 L276 I277 D278 T304P270-T274 PolarHBondContact O-N 3.02Å; P270-T274 VanDerWaalsContact O-N 3.1Å; T271-T274 WeakPolarHBondContact CA-OG1 3.2Å; T271-T274 PolarHBondContact O-OG1 2.77Å; T274-L276 PolarHBondContact O-N 3.04Å; T274-I277 WeakPolarHBondContact O-CB 3.46Å; T274-I277 PolarHBondContact O-N 2.78Å; T274-I277 VanDerWaalsContact O-N 3.16Å; T274-D278 PolarHBondContact O-N 3.08Å; T274-T304 HydrophobicContact CG2-CG2 4.22Å
275R89.3Confident93.1Very high133 Ų13346.8 Ų46.850%0.50222%0.224SC..Hα-helixtrans-65-35.9175.7-70.2-70.2-172.4156.92.7112.9F251 I253 T271 Y272 Y273 I277 D278 F279F251-R275 HydrophobicContact CE1-CB 4.18Å; F251-R275 HydrophobicContact CE1-CG 4.1Å; F251-R275 HydrophobicContact CZ-CB 3.93Å; F251-R275 HydrophobicContact CZ-CG 4.3Å; I253-R275 HydrophobicContact CD1-CB 4.1Å; T271-R275 HydrophobicContact CG2-CG 4.06Å; T271-R275 VanDerWaalsContact O-CB 3.31Å; T271-R275 WeakPolarHBondContact O-CB 2.78Å; T271-R275 WeakPolarHBondContact O-CG 3.49Å; T271-R275 PolarHBondContact O-N 3.37Å; Y272-R275 PolarHBondContact O-N 3.23Å; Y273-R275 VanDerWaalsContact C-N 3.3Å; Y273-R275 PolarHBondContact O-N 2.83Å; R275-I277 VanDerWaalsContact C-N 3.32Å; R275-D278 PolarHBondContact O-N 3.17Å; R275-F279 WeakPolarHBondContact O-CB 3.05Å; R275-F279 PolarHBondContact O-N 2.98Å
276L96Very high93Very high0 Ų047.8 Ų47.80%023%0.23CC..Hα-helixtrans-65.1-35.5172.7-78168.1000112.4I253 V256 V257 L260 M266 Y272 Y273 T274 G280 H281 C282 F308I253-L276 HydrophobicContact CD1-CD2 3.85Å; I253-L276 HydrophobicContact CD1-CG 4.11Å; V256-L276 HydrophobicContact CG1-CD2 4.21Å; V257-L276 HydrophobicContact CG2-CD2 4.15Å; L260-L276 HydrophobicContact CD1-CD2 3.84Å; M266-L276 HydrophobicContact CE-CD1 3.76Å; Y272-L276 WeakPolarHBondContact O-CG 3.41Å; Y272-L276 PolarHBondContact O-N 2.77Å; Y273-L276 PolarHBondContact O-N 2.64Å; T274-L276 PolarHBondContact O-N 3.04Å; L276-G280 PolarHBondContact O-N 2.93Å; L276-H281 HydrophobicContact CD2-CB 3.95Å; L276-H281 CarbonylContact O-C 3.31Å; L276-H281 WeakPolarHBondContact O-CA 3.37Å; L276-H281 PolarHBondContact O-N 2.9Å; L276-C282 PolarHBondContact O-N 3.39Å; L276-C282 VanDerWaalsContact O-N 3.11Å; L276-F308 HydrophobicContact CB-CZ 4.11Å; L276-F308 HydrophobicContact CD1-CZ 4.16Å
277I93.4Very high93Very high30 Ų3047.8 Ų47.815%0.15423%0.23CC..Hα-helixtrans-65.9-55.1172.6-67162.8000109.9Y273 T274 R275 F279 G280 C282 T304 Q307 F308Y273-I277 PolarHBondContact O-N 3.24Å; Y273-I277 VanDerWaalsContact O-N 3.1Å; T274-I277 WeakPolarHBondContact O-CB 3.46Å; T274-I277 PolarHBondContact O-N 2.78Å; T274-I277 VanDerWaalsContact O-N 3.16Å; R275-I277 VanDerWaalsContact C-N 3.32Å; I277-F279 PolarHBondContact O-N 3.47Å; I277-G280 PolarHBondContact O-N 2.79Å; I277-C282 HydrophobicContact CB-CB 4.22Å; I277-C282 HydrophobicContact CG1-CB 3.52Å; I277-T304 HydrophobicContact CD1-CG2 3.85Å; I277-Q307 HydrophobicContact CD1-CB 3.97Å; I277-F308 HydrophobicContact CD1-CD2 3.97Å; I277-F308 HydrophobicContact CD1-CE2 3.76Å; I277-F308 HydrophobicContact CG1-CD2 4.21Å; I277-F308 HydrophobicContact CG1-CE2 3.74Å
278D90.8Very high92.9Very high114 Ų11449.5 Ų49.561%0.6125%0.248SC*.Hα-helixtrans-60.5-33.7-176-61.7-23.6000112.1T274 R275 G280T274-D278 PolarHBondContact O-N 3.08Å; R275-D278 PolarHBondContact O-N 3.17Å; D278-G280 VanDerWaalsContact C-N 3.3Å
279F96.2Very high93.3Very high94 Ų9453.8 Ų53.841%0.41227%0.268SS..THydrogen-bonded Turntrans-84.40.2177.9-150.2-117.5000113.2I253 E254 V257 R275 I277 H281I253-F279 HydrophobicContact CD1-CB 4.35Å; I253-F279 HydrophobicContact CG1-CB 3.74Å; I253-F279 HydrophobicContact CG1-CD1 3.67Å; I253-F279 HydrophobicContact CG1-CD2 4.27Å; I253-F279 HydrophobicContact CG1-CE1 4.34Å; I253-F279 HydrophobicContact CG1-CG 3.65Å; I253-F279 HydrophobicContact CG2-CD1 4.42Å; I253-F279 HydrophobicContact CG2-CD2 4.13Å; I253-F279 HydrophobicContact CG2-CE1 4.42Å; I253-F279 HydrophobicContact CG2-CE2 4.1Å; I253-F279 HydrophobicContact CG2-CG 4.31Å; I253-F279 HydrophobicContact CG2-CZ 4.26Å; E254-F279 HydrophobicContact CG-CE1 4.24Å; E254-F279 HydrophobicContact CG-CZ 3.85Å; V257-F279 HydrophobicContact CG2-CD1 4.1Å; R275-F279 WeakPolarHBondContact O-CB 3.05Å; R275-F279 PolarHBondContact O-N 2.98Å; I277-F279 PolarHBondContact O-N 3.47Å; F279-H281 AromaticContact CD1-CD2 3.49Å; F279-H281 VanDerWaalsContact CD1-CD2 3.49Å; F279-H281 WeakPolarHBondContact CD1-CD2 3.29Å; F279-H281 AromaticContact CD1-NE2 3.87Å; F279-H281 PolarHBondContact O-CD2 3.36Å
280G96.3Very high93.9Very high37 Ų3753.6 Ų53.638%0.38127%0.266SS..THydrogen-bonded Turntrans81.716.1174.600000115.7L276 I277 D278 Q283L276-G280 PolarHBondContact O-N 2.93Å; I277-G280 PolarHBondContact O-N 2.79Å; D278-G280 VanDerWaalsContact C-N 3.3Å; G280-Q283 PolarHBondContact O-NE2 2.97Å
281H97.2Very high94.6Very high45 Ų4557 Ų5721%0.20828%0.277CS..  trans-106.74.8-176.3-74.7-80000114.5V257 L276 F279 Q283 T286 L287V257-H281 WeakPolarHBondContact CG1-CE1 2.99Å; V257-H281 HydrophobicContact CG2-CB 4.01Å; L276-H281 HydrophobicContact CD2-CB 3.95Å; L276-H281 CarbonylContact O-C 3.31Å; L276-H281 WeakPolarHBondContact O-CA 3.37Å; L276-H281 PolarHBondContact O-N 2.9Å; F279-H281 AromaticContact CD1-CD2 3.49Å; F279-H281 VanDerWaalsContact CD1-CD2 3.49Å; F279-H281 WeakPolarHBondContact CD1-CD2 3.29Å; F279-H281 AromaticContact CD1-NE2 3.87Å; F279-H281 PolarHBondContact O-CD2 3.36Å; H281-Q283 PolarHBondContact O-N 3.03Å; H281-T286 HydrophobicContact CB-CG2 4.05Å; H281-L287 WeakPolarHBondContact O-CD1 3.16Å
282C97.3Very high95.4Very high8 Ų854.9 Ų54.95%0.05426%0.264CS..  trans-77.467.9166.4-173.70000110.7L276 I277 Q307 F308 N311L276-C282 PolarHBondContact O-N 3.39Å; L276-C282 VanDerWaalsContact O-N 3.11Å; I277-C282 HydrophobicContact CB-CB 4.22Å; I277-C282 HydrophobicContact CG1-CB 3.52Å; C282-Q307 PolarHBondContact SG-O 3.36Å; C282-F308 HydrophobicContact CB-CE2 4.4Å; C282-F308 VanDerWaalsContact SG-CD2 3.54Å; C282-N311 WeakPolarHBondContact O-CB 3.37Å
283Q97.5Very high95.8Very high75 Ų7554.2 Ų54.235%0.3526%0.261SS..SBendtrans-141.7148.5-176.6-62.6-178.4-0.100111.3G280 H281 K285 T286 L287 N311G280-Q283 PolarHBondContact O-NE2 2.97Å; H281-Q283 PolarHBondContact O-N 3.03Å; Q283-K285 HydrophobicContact CB-CG 4.19Å; Q283-K285 PolarHBondContact O-N 3.31Å; Q283-K285 VanDerWaalsContact O-N 3.14Å; Q283-T286 PolarHBondContact O-N 2.87Å; Q283-L287 PolarHBondContact O-N 3.38Å; Q283-N311 CarbonylContact C-O 3.44Å; Q283-N311 WeakPolarHBondContact CA-O 3.49Å
284R97.7Very high96Very high158 Ų15854.2 Ų54.260%0.59626%0.261SS*.Hα-helixtrans-56.6-34-178.9-166.7-177.9-130.2173.82.6112.9T286 G288 N311 D313R284-T286 PolarHBondContact O-N 3.35Å; R284-G288 VanDerWaalsContact O-CA 3.24Å; R284-G288 WeakPolarHBondContact O-CA 3.31Å; R284-G288 PolarHBondContact O-N 3.13Å; R284-N311 PolarHBondContact N-O 2.87Å; R284-D313 HydrophobicContact CG-CB 4.45Å; R284-D313 IonicContact CZ-OD2 3.47Å; R284-D313 IonicContact NE-OD2 3.5Å; R284-D313 VanDerWaalsContact NH2-CG 3.28Å; R284-D313 IonicContact NH2-OD1 3.96Å; R284-D313 IonicContact NH2-OD2 2.66Å; R284-D313 PolarHBondContact NH2-OD2 2.95Å
285K96.8Very high96.4Very high170 Ų17052.8 Ų52.874%0.73925%0.253SS*.Hα-helixtrans-62.8-26.1176.378.3-171.7-168.8-157.60113.8Q283Q283-K285 HydrophobicContact CB-CG 4.19Å; Q283-K285 PolarHBondContact O-N 3.31Å; Q283-K285 VanDerWaalsContact O-N 3.14Å
286T97.1Very high96.2Very high22 Ų2246.5 Ų46.514%0.13523%0.229CC..Hα-helixtrans-102.2-32-176.3-58.90000112.1L260 H281 Q283 R284 H289L260-T286 HydrophobicContact CD1-CG2 3.83Å; H281-T286 HydrophobicContact CB-CG2 4.05Å; Q283-T286 PolarHBondContact O-N 2.87Å; R284-T286 PolarHBondContact O-N 3.35Å; T286-H289 PolarHBondContact O-CE1 3.34Å
287L98.2Very high95.5Very high0 Ų047.9 Ų47.90%024%0.239CC..Hα-helixtrans-120.2-8.8-171.4-67.8168.9000114L260 H281 Q283 H289 M290 F308 A312 Q314L260-L287 HydrophobicContact CD1-CD2 3.94Å; L260-L287 HydrophobicContact CD2-CD2 3.92Å; H281-L287 WeakPolarHBondContact O-CD1 3.16Å; Q283-L287 PolarHBondContact O-N 3.38Å; L287-H289 PolarHBondContact O-N 2.92Å; L287-H289 VanDerWaalsContact O-N 3.13Å; L287-M290 HydrophobicContact CB-CG 4.44Å; L287-M290 HydrophobicContact CD2-CG 3.95Å; L287-M290 VanDerWaalsContact O-CB 3.24Å; L287-M290 WeakPolarHBondContact O-CB 3.26Å; L287-M290 WeakPolarHBondContact O-CG 3.25Å; L287-M290 PolarHBondContact O-N 2.92Å; L287-F308 HydrophobicContact CD1-CD1 4.02Å; L287-F308 HydrophobicContact CD1-CE1 3.53Å; L287-F308 HydrophobicContact CD1-CZ 4.32Å; L287-A312 HydrophobicContact CB-CB 4.01Å; L287-A312 HydrophobicContact CD1-CB 3.84Å; L287-Q314 HydrophobicContact CB-CG 4.17Å; L287-Q314 PolarHBondContact O-NE2 3.16Å
288G97.1Very high94.7Very high37 Ų3747.3 Ų47.338%0.38124%0.239SC..THydrogen-bonded Turntrans-62.5-22.7-174.300000114.2R284R284-G288 VanDerWaalsContact O-CA 3.24Å; R284-G288 WeakPolarHBondContact O-CA 3.31Å; R284-G288 PolarHBondContact O-N 3.13Å
289H97.5Very high94.1Very high90 Ų9045.1 Ų45.142%0.41723%0.231SC..THydrogen-bonded Turntrans-84.6-12.7174.870-78.2000113.6L260 S263 T286 L287 R291L260-H289 PolarHBondContact O-CE1 3.48Å; L260-H289 PolarHBondContact O-NE2 3.45Å; S263-H289 PolarHBondContact O-CD2 3.26Å; S263-H289 PolarHBondContact O-NE2 2.97Å; T286-H289 PolarHBondContact O-CE1 3.34Å; L287-H289 PolarHBondContact O-N 2.92Å; L287-H289 VanDerWaalsContact O-N 3.13Å; H289-R291 PolarHBondContact O-N 2.89Å
290M98.4Very high93.3Very high6 Ų641 Ų413%0.0321%0.213CC..  trans-65.7128.5-179.8-63.8-64.8-68.600109.3L260 S263 M265 M266 L287 L293 Q314L260-M290 HydrophobicContact CD2-CE 4.11Å; L260-M290 HydrophobicContact CD2-SD 3.98Å; S263-M290 VanDerWaalsContact O-SD 3.33Å; M265-M290 VanDerWaalsContact C-CE 3.46Å; M266-M290 HydrophobicContact CB-CE 4.12Å; L287-M290 HydrophobicContact CB-CG 4.44Å; L287-M290 HydrophobicContact CD2-CG 3.95Å; L287-M290 VanDerWaalsContact O-CB 3.24Å; L287-M290 WeakPolarHBondContact O-CB 3.26Å; L287-M290 WeakPolarHBondContact O-CG 3.25Å; L287-M290 PolarHBondContact O-N 2.92Å; M290-L293 HydrophobicContact CB-CD2 4.38Å; M290-L293 HydrophobicContact CE-CD2 3.81Å; M290-L293 HydrophobicContact CG-CD2 4.44Å; M290-Q314 PolarHBondContact O-NE2 3.12Å; M290-Q314 PolarHBondContact O-OE1 3.24Å
291R97.9Very high92.5Very high88 Ų8842.1 Ų42.133%0.33221%0.206SC..SBendtrans-76.9-36.3175.7-172.5-176.168.878.8-8.7111.5W211 D217 T264 H289W211-R291 PolarHBondContact O-NH1 3.19Å; W211-R291 PolarHBondContact O-NH2 3Å; D217-R291 IonicContact OD1-CZ 3.99Å; D217-R291 IonicContact OD1-NE 3.57Å; D217-R291 PolarHBondContact OD1-NE 3.15Å; D217-R291 IonicContact OD1-NH2 2.86Å; D217-R291 PolarHBondContact OD1-NH2 2.95Å; D217-R291 IonicContact OD2-CZ 3.16Å; D217-R291 IonicContact OD2-NE 3.55Å; D217-R291 IonicContact OD2-NH2 3.51Å; D217-R291 PolarHBondContact OD2-NH2 3.16Å; T264-R291 WeakPolarHBondContact O-CB 3.37Å; T264-R291 PolarHBondContact O-N 3.41Å; H289-R291 PolarHBondContact O-N 2.89Å
292L98.3Very high91.7Very high1 Ų143.1 Ų43.11%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-154.7122.6-165.5-179.358.2000113.3W211 L213 T264 M265 M266 I294 I317 L333W211-L292 HydrophobicContact CB-CD2 3.85Å; W211-L292 HydrophobicContact CG-CD2 4.34Å; L213-L292 HydrophobicContact CD2-CD2 4.3Å; T264-L292 PolarHBondContact O-N 3.31Å; M265-L292 CarbonylContact C-O 3.59Å; M265-L292 WeakPolarHBondContact CA-O 3.41Å; M265-L292 HydrophobicContact CB-CB 3.95Å; M265-L292 WeakPolarHBondContact CB-O 2.89Å; M265-L292 HydrophobicContact CE-CD2 4.05Å; M266-L292 PolarHBondContact N-O 3.18Å; L292-I294 HydrophobicContact CD1-CD1 4.06Å; L292-I294 HydrophobicContact CD1-CG1 3.75Å; L292-I294 HydrophobicContact CD2-CD1 3.7Å; L292-I294 HydrophobicContact CD2-CG1 4.3Å; L292-I294 HydrophobicContact CG-CD1 3.81Å; L292-I294 HydrophobicContact CG-CG1 3.87Å; L292-I317 HydrophobicContact CD1-CD1 3.54Å; L292-I317 HydrophobicContact CD1-CG1 4.19Å; L292-L333 HydrophobicContact CD1-CD1 3.97Å
293L98.5Very high91.1Very high0 Ų045.4 Ų45.40%023%0.232CC..EExtended strand (participates in β ladder)trans-118.3121.5171.6-61.5178.8000109.1M266 Y273 M290 F308 Q314 I316 I317M266-L293 HydrophobicContact CB-CD2 4Å; M266-L293 HydrophobicContact CE-CD2 4.31Å; Y273-L293 HydrophobicContact CE1-CB 4.04Å; Y273-L293 HydrophobicContact CE1-CD2 4.47Å; M290-L293 HydrophobicContact CB-CD2 4.38Å; M290-L293 HydrophobicContact CE-CD2 3.81Å; M290-L293 HydrophobicContact CG-CD2 4.44Å; L293-F308 HydrophobicContact CD1-CD1 3.79Å; L293-F308 HydrophobicContact CD1-CE1 3.81Å; L293-Q314 HydrophobicContact CD1-CB 4.04Å; L293-Q314 HydrophobicContact CD1-CG 4.35Å; L293-I316 HydrophobicContact CB-CG1 4.24Å; L293-I316 HydrophobicContact CD1-CG1 4.44Å; L293-I317 PolarHBondContact O-N 2.95Å
294I98.3Very high90.5Very high0 Ų042 Ų420%022%0.217CC..EExtended strand (participates in β ladder)trans-121.5119-177.7-62160.3000111.4W211 M266 M267 G268 Y273 L292 I317 R319W211-I294 HydrophobicContact CD2-CD1 3.47Å; W211-I294 VanDerWaalsContact CD2-CD1 3.47Å; W211-I294 HydrophobicContact CE3-CD1 3.65Å; W211-I294 HydrophobicContact CG-CD1 3.92Å; W211-I294 HydrophobicContact CH2-CD1 4.11Å; W211-I294 HydrophobicContact CH2-CG2 4.34Å; W211-I294 HydrophobicContact CZ2-CD1 3.97Å; W211-I294 HydrophobicContact CZ2-CG2 4.08Å; W211-I294 HydrophobicContact CZ3-CD1 3.96Å; M266-I294 PolarHBondContact O-N 3.04Å; M267-I294 WeakPolarHBondContact CA-O 3.39Å; M267-I294 HydrophobicContact CE-CD1 4.11Å; M267-I294 HydrophobicContact CG-CB 4.24Å; M267-I294 HydrophobicContact CG-CD1 4.18Å; M267-I294 HydrophobicContact SD-CD1 4.44Å; G268-I294 PolarHBondContact N-O 3.46Å; Y273-I294 PolarHBondContact OH-N 3.42Å; Y273-I294 PolarHBondContact OH-O 3.4Å; L292-I294 HydrophobicContact CD1-CD1 4.06Å; L292-I294 HydrophobicContact CD1-CG1 3.75Å; L292-I294 HydrophobicContact CD2-CD1 3.7Å; L292-I294 HydrophobicContact CD2-CG1 4.3Å; L292-I294 HydrophobicContact CG-CD1 3.81Å; L292-I294 HydrophobicContact CG-CG1 3.87Å; I294-I317 CarbonylContact C-O 3.6Å; I294-I317 WeakPolarHBondContact CA-O 3.19Å; I294-I317 HydrophobicContact CG1-CB 4.18Å; I294-I317 HydrophobicContact CG1-CG2 4.49Å; I294-R319 HydrophobicContact CG2-CG 3.94Å
295S93.7Very high90.2Very high0 Ų035.9 Ų35.90%019%0.194CC..EExtended strand (participates in β ladder)trans-100.4141.4174.4-173.50000112.1G268 I317 R319G268-S295 WeakPolarHBondContact O-CA 3.39Å; S295-I317 PolarHBondContact N-O 3.11Å; S295-R319 PolarHBondContact O-N 3.45Å; S295-R319 VanDerWaalsContact O-N 3.16Å
296G87Confident90.1Very high1 Ų130.4 Ų30.41%0.0117%0.174CC..  trans-175.9-153.3159.400000113.1G268 P270 A298G268-G296 PolarHBondContact O-N 2.87Å; G268-G296 VanDerWaalsContact O-N 3.12Å; P270-G296 WeakPolarHBondContact CD-O 3.11Å; G296-A298 PolarHBondContact O-N 3.28Å
297S80.4Confident89.9Confident29 Ų2932.7 Ų32.720%0.20318%0.184CC..SBendtrans66-19.6-164.3-54.30000114.9H229 K498H229-S297 PolarHBondContact ND1-OG 3.02Å; S297-K498 WeakPolarHBondContact O-CE 3.49Å
298A77.5Confident89.9Confident18 Ų1832.7 Ų32.715%0.14918%0.184CC..SBendtrans-151.3160.9169.800000109.4P270 G296 L300 K498P270-A298 HydrophobicContact CG-CB 4.01Å; P270-A298 VanDerWaalsContact CG-O 3.24Å; P270-A298 WeakPolarHBondContact CG-O 3.24Å; G296-A298 PolarHBondContact O-N 3.28Å; A298-L300 PolarHBondContact O-N 2.64Å; A298-K498 HydrophobicContact CB-CG 4.2Å
299P76.6Confident89.9Confident69 Ų6932.1 Ų32.145%0.44818%0.175SC..PPolyproline II helixtrans-60.7134.3178.9-23.734.6000112.6P270P270-P299 WeakPolarHBondContact CG-O 2.96Å
300L80.3Confident89.9Confident7 Ų734.8 Ų34.84%0.03719%0.188CC..PPolyproline II helixtrans-84.4134.8169.9-175.168.7000109.2P270 Y273 A298 T304 W305 I316 E318P270-L300 HydrophobicContact CB-CD1 4.29Å; Y273-L300 HydrophobicContact CD2-CD1 4.4Å; A298-L300 PolarHBondContact O-N 2.64Å; L300-T304 HydrophobicContact CD1-CG2 3.82Å; L300-W305 HydrophobicContact CD2-CB 4.17Å; L300-I316 HydrophobicContact CD1-CD1 4.46Å; L300-I316 HydrophobicContact CD2-CB 3.91Å; L300-I316 HydrophobicContact CD2-CD1 4.17Å; L300-I316 HydrophobicContact CD2-CG2 3.71Å; L300-E318 HydrophobicContact CB-CB 4.5Å; L300-E318 HydrophobicContact CB-CG 4.17Å; L300-E318 HydrophobicContact CD2-CB 4.42Å; L300-E318 PolarHBondContact N-OE1 3.08Å
301R78.7Confident89.9Confident61 Ų6138.4 Ų38.423%0.2321%0.207CC..PPolyproline II helixtrans-70.6137.3175.9-65.5-178.1-179.1141.218.7110S303 T304 W305 D427 Q433 E434R301-S303 PolarHBondContact O-N 2.65Å; R301-T304 WeakPolarHBondContact O-CB 3.47Å; R301-T304 PolarHBondContact O-N 2.91Å; R301-T304 VanDerWaalsContact O-N 3.1Å; R301-W305 PolarHBondContact O-N 2.61Å; R301-W305 VanDerWaalsContact O-N 3.09Å; R301-D427 IonicContact NE-OD2 2.7Å; R301-Q433 PolarHBondContact NH1-O 3.2Å; R301-E434 IonicContact CZ-OE2 3.84Å; R301-E434 IonicContact NH2-OE2 3.39Å; R301-E434 PolarHBondContact NH2-OE2 3.42Å
302P82Confident89.9Confident66 Ų6634.2 Ų34.243%0.42919%0.192SC..Hα-helixtrans-53.6-39.9171-27.835.7000112.6T304 W305 V306P302-T304 PolarHBondContact O-N 2.71Å; P302-W305 WeakPolarHBondContact O-CB 3.25Å; P302-W305 PolarHBondContact O-N 3.06Å; P302-V306 WeakPolarHBondContact O-CG2 3.46Å; P302-V306 PolarHBondContact O-N 3.48Å
303S83.5Confident89.8Confident55 Ų5538.8 Ų38.839%0.38522%0.216SC..Hα-helixtrans-61.9-42.3176.652.50000113.1R301 W305 V306 Q307R301-S303 PolarHBondContact O-N 2.65Å; S303-W305 VanDerWaalsContact C-N 3.31Å; S303-W305 PolarHBondContact O-N 3.28Å; S303-V306 PolarHBondContact O-N 3.23Å; S303-Q307 VanDerWaalsContact O-CG 3.31Å; S303-Q307 WeakPolarHBondContact O-CG 3.19Å; S303-Q307 PolarHBondContact O-N 3.44Å
304T84.8Confident89.7Confident4 Ų439.7 Ų39.73%0.02522%0.22CC..Hα-helixtrans-61.6-41.1174-58.40000111.4T274 I277 L300 R301 P302 F308T274-T304 HydrophobicContact CG2-CG2 4.22Å; I277-T304 HydrophobicContact CD1-CG2 3.85Å; L300-T304 HydrophobicContact CD1-CG2 3.82Å; R301-T304 WeakPolarHBondContact O-CB 3.47Å; R301-T304 PolarHBondContact O-N 2.91Å; R301-T304 VanDerWaalsContact O-N 3.1Å; P302-T304 PolarHBondContact O-N 2.71Å; T304-F308 HydrophobicContact CG2-CD2 4.33Å; T304-F308 HydrophobicContact CG2-CE2 4.35Å; T304-F308 WeakPolarHBondContact O-CD2 3.32Å; T304-F308 PolarHBondContact O-N 3.48Å
305W92.1Very high89.6Confident30 Ų3043.6 Ų43.611%0.11424%0.238CC..Hα-helixtrans-62.2-46.8175.6-172.7100.9000111.6L300 R301 P302 S303 Q307 F308 A309 E315 I316 R337 P339L300-W305 HydrophobicContact CD2-CB 4.17Å; R301-W305 PolarHBondContact O-N 2.61Å; R301-W305 VanDerWaalsContact O-N 3.09Å; P302-W305 WeakPolarHBondContact O-CB 3.25Å; P302-W305 PolarHBondContact O-N 3.06Å; S303-W305 VanDerWaalsContact C-N 3.31Å; S303-W305 PolarHBondContact O-N 3.28Å; W305-Q307 PolarHBondContact O-N 2.98Å; W305-F308 PolarHBondContact O-N 3.27Å; W305-A309 HydrophobicContact CE3-CB 4.09Å; W305-A309 HydrophobicContact CH2-CB 4.12Å; W305-A309 HydrophobicContact CZ3-CB 3.74Å; W305-A309 PolarHBondContact O-N 3.16Å; W305-E315 HydrophobicContact CH2-CB 4.48Å; W305-E315 HydrophobicContact CH2-CG 3.85Å; W305-E315 HydrophobicContact CZ2-CB 3.66Å; W305-E315 HydrophobicContact CZ2-CG 3.5Å; W305-I316 VanDerWaalsContact CD1-O 3.31Å; W305-I316 PolarHBondContact NE1-O 3.19Å; W305-R337 HydrophobicContact CZ2-CB 4.34Å; W305-P339 HydrophobicContact CB-CB 4.43Å; W305-P339 HydrophobicContact CD2-CB 4.07Å; W305-P339 HydrophobicContact CD2-CG 3.51Å; W305-P339 HydrophobicContact CE3-CB 4.1Å; W305-P339 HydrophobicContact CE3-CG 3.34Å; W305-P339 HydrophobicContact CG-CB 4.2Å; W305-P339 HydrophobicContact CG-CG 4.15Å; W305-P339 HydrophobicContact CH2-CG 3.91Å; W305-P339 HydrophobicContact CZ2-CG 4.02Å; W305-P339 HydrophobicContact CZ3-CG 3.57Å
306V93.2Very high89.8Confident55 Ų5543.7 Ų43.733%0.33324%0.239SC..Hα-helixtrans-60.6-44.9179.3170.30000111P302 S303 F308 A309 E310P302-V306 WeakPolarHBondContact O-CG2 3.46Å; P302-V306 PolarHBondContact O-N 3.48Å; S303-V306 PolarHBondContact O-N 3.23Å; V306-F308 VanDerWaalsContact C-N 3.29Å; V306-F308 PolarHBondContact O-N 2.86Å; V306-A309 PolarHBondContact O-N 3.23Å; V306-A309 VanDerWaalsContact O-N 3.13Å; V306-E310 VanDerWaalsContact CG1-CD 3.47Å; V306-E310 HydrophobicContact CG1-CG 4.12Å; V306-E310 WeakPolarHBondContact CG1-OE1 3.29Å; V306-E310 WeakPolarHBondContact O-CB 3.29Å; V306-E310 WeakPolarHBondContact O-CG 3.24Å; V306-E310 PolarHBondContact O-N 3.33Å
307Q94.4Very high90.3Very high70 Ų7043.6 Ų43.633%0.32724%0.238SC..Hα-helixtrans-60.7-36177.8-71.7177.9-7800112.9I277 C282 S303 W305 N311I277-Q307 HydrophobicContact CD1-CB 3.97Å; C282-Q307 PolarHBondContact SG-O 3.36Å; S303-Q307 VanDerWaalsContact O-CG 3.31Å; S303-Q307 WeakPolarHBondContact O-CG 3.19Å; S303-Q307 PolarHBondContact O-N 3.44Å; W305-Q307 PolarHBondContact O-N 2.98Å; Q307-N311 WeakPolarHBondContact O-CB 3.15Å; Q307-N311 PolarHBondContact O-N 2.72Å; Q307-N311 PolarHBondContact O-ND2 3.35Å; Q307-N311 VanDerWaalsContact O-ND2 3.15Å
308F97.8Very high91Very high0 Ų042.7 Ų42.70%023%0.231CC..Hα-helixtrans-70.7-42173.9-91.5-105.2000111.9Y273 L276 I277 C282 L287 L293 T304 W305 V306 A312 D313 Q314 I316Y273-F308 AromaticContact CD1-CE1 3.89Å; Y273-F308 HydrophobicContact CD1-CE1 3.89Å; Y273-F308 HydrophobicContact CD1-CE2 4.19Å; Y273-F308 AromaticContact CD1-CZ 3.64Å; Y273-F308 HydrophobicContact CD1-CZ 3.64Å; Y273-F308 HydrophobicContact CG-CE2 4.43Å; Y273-F308 HydrophobicContact CG-CZ 4.24Å; Y273-F308 WeakPolarHBondContact O-CE2 3.4Å; L276-F308 HydrophobicContact CB-CZ 4.11Å; L276-F308 HydrophobicContact CD1-CZ 4.16Å; I277-F308 HydrophobicContact CD1-CD2 3.97Å; I277-F308 HydrophobicContact CD1-CE2 3.76Å; I277-F308 HydrophobicContact CG1-CD2 4.21Å; I277-F308 HydrophobicContact CG1-CE2 3.74Å; C282-F308 HydrophobicContact CB-CE2 4.4Å; C282-F308 VanDerWaalsContact SG-CD2 3.54Å; L287-F308 HydrophobicContact CD1-CD1 4.02Å; L287-F308 HydrophobicContact CD1-CE1 3.53Å; L287-F308 HydrophobicContact CD1-CZ 4.32Å; L293-F308 HydrophobicContact CD1-CD1 3.79Å; L293-F308 HydrophobicContact CD1-CE1 3.81Å; T304-F308 HydrophobicContact CG2-CD2 4.33Å; T304-F308 HydrophobicContact CG2-CE2 4.35Å; T304-F308 WeakPolarHBondContact O-CD2 3.32Å; T304-F308 PolarHBondContact O-N 3.48Å; W305-F308 PolarHBondContact O-N 3.27Å; V306-F308 VanDerWaalsContact C-N 3.29Å; V306-F308 PolarHBondContact O-N 2.86Å; F308-A312 CarbonylContact O-C 3.57Å; F308-A312 WeakPolarHBondContact O-CA 3.39Å; F308-A312 VanDerWaalsContact O-CB 3.29Å; F308-A312 WeakPolarHBondContact O-CB 3.3Å; F308-A312 PolarHBondContact O-N 2.67Å; F308-D313 PolarHBondContact O-N 2.59Å; F308-Q314 CarbonylContact C-O 3.57Å; F308-Q314 VanDerWaalsContact CB-O 3.3Å; F308-Q314 WeakPolarHBondContact CB-O 3.31Å; F308-Q314 HydrophobicContact CD1-CB 4.41Å; F308-Q314 PolarHBondContact O-N 3.44Å; F308-Q314 VanDerWaalsContact O-N 3.11Å; F308-I316 HydrophobicContact CB-CD1 3.98Å; F308-I316 HydrophobicContact CB-CG1 4.18Å; F308-I316 HydrophobicContact CD1-CD1 3.9Å; F308-I316 HydrophobicContact CD1-CG1 4.07Å; F308-I316 HydrophobicContact CD2-CD1 3.7Å; F308-I316 HydrophobicContact CE1-CD1 4.29Å; F308-I316 HydrophobicContact CE2-CD1 4.11Å; F308-I316 HydrophobicContact CG-CD1 3.58Å; F308-I316 HydrophobicContact CG-CG1 4.06Å; F308-I316 HydrophobicContact CZ-CD1 4.4Å
309A97Very high92Very high25 Ų2542.3 Ų42.321%0.20723%0.225CC..Hα-helixtrans-61.5-46.417700000111.3W305 V306 D313 Q314W305-A309 HydrophobicContact CE3-CB 4.09Å; W305-A309 HydrophobicContact CH2-CB 4.12Å; W305-A309 HydrophobicContact CZ3-CB 3.74Å; W305-A309 PolarHBondContact O-N 3.16Å; V306-A309 PolarHBondContact O-N 3.23Å; V306-A309 VanDerWaalsContact O-N 3.13Å; A309-D313 VanDerWaalsContact O-CA 3.27Å; A309-D313 WeakPolarHBondContact O-CA 3.28Å; A309-D313 PolarHBondContact O-N 3.45Å; A309-Q314 WeakPolarHBondContact CA-O 3.45Å; A309-Q314 PolarHBondContact N-O 2.94Å; A309-Q314 VanDerWaalsContact N-O 3.13Å
310E97.3Very high92.9Very high145 Ų14540 Ų4068%0.67821%0.208SC*.Hα-helixtrans-77.2-47-176.1-67.6177.5167.100113.2V306V306-E310 VanDerWaalsContact CG1-CD 3.47Å; V306-E310 HydrophobicContact CG1-CG 4.12Å; V306-E310 WeakPolarHBondContact CG1-OE1 3.29Å; V306-E310 WeakPolarHBondContact O-CB 3.29Å; V306-E310 WeakPolarHBondContact O-CG 3.24Å; V306-E310 PolarHBondContact O-N 3.33Å
311N98Very high93.5Very high83 Ų8340.4 Ų40.444%0.44421%0.214SC..Hα-helixtrans-88.1-31.1-172-58.2-38.9000113C282 Q283 R284 Q307C282-N311 WeakPolarHBondContact O-CB 3.37Å; Q283-N311 CarbonylContact C-O 3.44Å; Q283-N311 WeakPolarHBondContact CA-O 3.49Å; R284-N311 PolarHBondContact N-O 2.87Å; Q307-N311 WeakPolarHBondContact O-CB 3.15Å; Q307-N311 PolarHBondContact O-N 2.72Å; Q307-N311 PolarHBondContact O-ND2 3.35Å; Q307-N311 VanDerWaalsContact O-ND2 3.15Å
312A97.7Very high94.2Very high0 Ų039 Ų390%021%0.21CC..Hα-helixtrans-108.9-9.7-175.100000114.2L287 F308 Q314L287-A312 HydrophobicContact CB-CB 4.01Å; L287-A312 HydrophobicContact CD1-CB 3.84Å; F308-A312 CarbonylContact O-C 3.57Å; F308-A312 WeakPolarHBondContact O-CA 3.39Å; F308-A312 VanDerWaalsContact O-CB 3.29Å; F308-A312 WeakPolarHBondContact O-CB 3.3Å; F308-A312 PolarHBondContact O-N 2.67Å; A312-Q314 HydrophobicContact CB-CB 4.07Å; A312-Q314 HydrophobicContact CB-CG 4.1Å; A312-Q314 WeakPolarHBondContact O-CG 2.99Å; A312-Q314 PolarHBondContact O-N 3.21Å
313D96.8Very high94.7Very high97 Ų9736.9 Ų36.952%0.51920%0.197SC..SBendtrans54.741-168.5-169.942.9000111.4R284 F308 A309R284-D313 HydrophobicContact CG-CB 4.45Å; R284-D313 IonicContact CZ-OD2 3.47Å; R284-D313 IonicContact NE-OD2 3.5Å; R284-D313 VanDerWaalsContact NH2-CG 3.28Å; R284-D313 IonicContact NH2-OD1 3.96Å; R284-D313 IonicContact NH2-OD2 2.66Å; R284-D313 PolarHBondContact NH2-OD2 2.95Å; F308-D313 PolarHBondContact O-N 2.59Å; A309-D313 VanDerWaalsContact O-CA 3.27Å; A309-D313 WeakPolarHBondContact O-CA 3.28Å; A309-D313 PolarHBondContact O-N 3.45Å
314Q97.3Very high95.4Very high19 Ų1934.9 Ų34.99%0.08918%0.181CC..  trans-131.4117.7-174.5-73.6-68.3-2400110.4L287 M290 L293 F308 A309 A312L287-Q314 HydrophobicContact CB-CG 4.17Å; L287-Q314 PolarHBondContact O-NE2 3.16Å; M290-Q314 PolarHBondContact O-NE2 3.12Å; M290-Q314 PolarHBondContact O-OE1 3.24Å; L293-Q314 HydrophobicContact CD1-CB 4.04Å; L293-Q314 HydrophobicContact CD1-CG 4.35Å; F308-Q314 CarbonylContact C-O 3.57Å; F308-Q314 VanDerWaalsContact CB-O 3.3Å; F308-Q314 WeakPolarHBondContact CB-O 3.31Å; F308-Q314 HydrophobicContact CD1-CB 4.41Å; F308-Q314 PolarHBondContact O-N 3.44Å; F308-Q314 VanDerWaalsContact O-N 3.11Å; A309-Q314 WeakPolarHBondContact CA-O 3.45Å; A309-Q314 PolarHBondContact N-O 2.94Å; A309-Q314 VanDerWaalsContact N-O 3.13Å; A312-Q314 HydrophobicContact CB-CB 4.07Å; A312-Q314 HydrophobicContact CB-CG 4.1Å; A312-Q314 WeakPolarHBondContact O-CG 2.99Å; A312-Q314 PolarHBondContact O-N 3.21Å
315E96.4Very high95.9Very high82 Ų8234.7 Ų34.738%0.38318%0.18SC..  trans-90.6118173.1-64.6-174.9167.900109.8W305 R337W305-E315 HydrophobicContact CH2-CB 4.48Å; W305-E315 HydrophobicContact CH2-CG 3.85Å; W305-E315 HydrophobicContact CZ2-CB 3.66Å; W305-E315 HydrophobicContact CZ2-CG 3.5Å; E315-R337 PolarHBondContact O-NH1 3.5Å; E315-R337 WeakPolarHBondContact OE2-CD 3.45Å
316I96.6Very high96.2Very high1 Ų133.3 Ų33.31%0.00518%0.175CC..  trans-72.7136.9177.5-61.3165.5000109.6Y273 L293 L300 W305 F308 E318Y273-I316 HydrophobicContact CD1-CD1 3.55Å; Y273-I316 HydrophobicContact CD1-CG1 4.19Å; Y273-I316 HydrophobicContact CE1-CD1 4.1Å; Y273-I316 HydrophobicContact CE1-CG1 4.28Å; Y273-I316 HydrophobicContact CE1-CG2 4.47Å; Y273-I316 HydrophobicContact CG-CD1 3.79Å; L293-I316 HydrophobicContact CB-CG1 4.24Å; L293-I316 HydrophobicContact CD1-CG1 4.44Å; L300-I316 HydrophobicContact CD1-CD1 4.46Å; L300-I316 HydrophobicContact CD2-CB 3.91Å; L300-I316 HydrophobicContact CD2-CD1 4.17Å; L300-I316 HydrophobicContact CD2-CG2 3.71Å; W305-I316 VanDerWaalsContact CD1-O 3.31Å; W305-I316 PolarHBondContact NE1-O 3.19Å; F308-I316 HydrophobicContact CB-CD1 3.98Å; F308-I316 HydrophobicContact CB-CG1 4.18Å; F308-I316 HydrophobicContact CD1-CD1 3.9Å; F308-I316 HydrophobicContact CD1-CG1 4.07Å; F308-I316 HydrophobicContact CD2-CD1 3.7Å; F308-I316 HydrophobicContact CE1-CD1 4.29Å; F308-I316 HydrophobicContact CE2-CD1 4.11Å; F308-I316 HydrophobicContact CG-CD1 3.58Å; F308-I316 HydrophobicContact CG-CG1 4.06Å; F308-I316 HydrophobicContact CZ-CD1 4.4Å; I316-E318 PolarHBondContact O-N 3.03Å
317I97.9Very high96.4Very high0 Ų030.7 Ų30.70%016%0.159CC..EExtended strand (participates in β ladder)trans-82.8109167.3-66.5-173.5000108.6L292 L293 I294 S295 S330 N331 L333L292-I317 HydrophobicContact CD1-CD1 3.54Å; L292-I317 HydrophobicContact CD1-CG1 4.19Å; L293-I317 PolarHBondContact O-N 2.95Å; I294-I317 CarbonylContact C-O 3.6Å; I294-I317 WeakPolarHBondContact CA-O 3.19Å; I294-I317 HydrophobicContact CG1-CB 4.18Å; I294-I317 HydrophobicContact CG1-CG2 4.49Å; S295-I317 PolarHBondContact N-O 3.11Å; I317-S330 WeakPolarHBondContact CG2-OG 3.48Å; I317-N331 HydrophobicContact CG2-CB 4.08Å; I317-N331 WeakPolarHBondContact CG2-O 3.49Å; I317-L333 HydrophobicContact CD1-CB 4.31Å; I317-L333 HydrophobicContact CD1-CD1 4.16Å
318E95.7Very high96.6Very high10 Ų1027.3 Ų27.35%0.04714%0.143CC..EExtended strand (participates in β ladder)trans-85.9134.7166.6-174.4171.4-163.500110.3L300 I316 N331 V342L300-E318 HydrophobicContact CB-CB 4.5Å; L300-E318 HydrophobicContact CB-CG 4.17Å; L300-E318 HydrophobicContact CD2-CB 4.42Å; L300-E318 PolarHBondContact N-OE1 3.08Å; I316-E318 PolarHBondContact O-N 3.03Å; E318-N331 WeakPolarHBondContact O-CB 3.26Å; E318-N331 PolarHBondContact O-N 3.02Å; E318-N331 PolarHBondContact O-ND2 2.96Å; E318-V342 HydrophobicContact CG-CG1 4.18Å
319R97Very high96.6Very high10 Ų1027.3 Ų27.34%0.03814%0.143CC..EExtended strand (participates in β ladder)trans-134.6155.9178.165.382.7-148.4-149.2-11.5111W211 H229 I294 S295 I327 C329W211-R319 HydrophobicContact CZ2-CG 4.34Å; H229-R319 PolarHBondContact CD2-NH2 3.35Å; H229-R319 PolarHBondContact CE1-NH2 3.3Å; H229-R319 PolarHBondContact ND1-NH2 3.48Å; H229-R319 PolarHBondContact NE2-NH2 3.38Å; I294-R319 HydrophobicContact CG2-CG 3.94Å; S295-R319 PolarHBondContact O-N 3.45Å; S295-R319 VanDerWaalsContact O-N 3.16Å; R319-I327 HydrophobicContact CB-CG2 4.41Å; R319-C329 CarbonylContact C-O 3.58Å; R319-C329 WeakPolarHBondContact CA-O 3.37Å; R319-C329 VanDerWaalsContact CB-O 3.26Å; R319-C329 WeakPolarHBondContact CB-O 3.35Å
320Y95.7Very high96.6Very high19 Ų1926.2 Ų26.28%0.07513%0.134CC..EExtended strand (participates in β ladder)trans-110.9142.6176.4172.3-100.1000112V328 C329 V342 L358 S388 D390 I402Y320-V328 HydrophobicContact CD1-CB 3.84Å; Y320-V328 HydrophobicContact CD1-CG1 4.3Å; Y320-V328 HydrophobicContact CD1-CG2 4.47Å; Y320-V328 HydrophobicContact CE1-CB 4.11Å; Y320-V328 HydrophobicContact CE1-CG1 4.4Å; Y320-V328 HydrophobicContact CE1-CG2 4.33Å; Y320-V328 PolarHBondContact O-N 3.02Å; Y320-C329 PolarHBondContact N-O 3.04Å; Y320-C329 PolarHBondContact O-N 3.12Å; Y320-V342 VanDerWaalsContact CB-CB 3.49Å; Y320-V342 VanDerWaalsContact CB-CG2 3.48Å; Y320-V342 HydrophobicContact CG-CG2 4.31Å; Y320-L358 HydrophobicContact CD1-CD2 3.99Å; Y320-L358 HydrophobicContact CE1-CD2 3.42Å; Y320-L358 VanDerWaalsContact CE1-CD2 3.42Å; Y320-S388 WeakPolarHBondContact OH-CB 3.39Å; Y320-S388 PolarHBondContact OH-OG 3.19Å; Y320-D390 VanDerWaalsContact CE2-OD2 3.26Å; Y320-D390 WeakPolarHBondContact CE2-OD2 3.4Å; Y320-D390 VanDerWaalsContact CZ-OD2 3.3Å; Y320-D390 PolarHBondContact OH-OD2 3.03Å; Y320-I402 HydrophobicContact CD2-CD1 3.82Å; Y320-I402 HydrophobicContact CD2-CG1 3.78Å; Y320-I402 HydrophobicContact CE2-CD1 3.91Å; Y320-I402 HydrophobicContact CE2-CG1 4.18Å; Y320-I402 HydrophobicContact CG-CD1 4.16Å; Y320-I402 HydrophobicContact CG-CG1 4.32Å
321G94.1Very high96.7Very high17 Ų1719.5 Ų19.518%0.17510%0.103CC..  trans-174.3156.8-174.700000111.9Q326G321-Q326 CarbonylContact C-O 3.5Å; G321-Q326 WeakPolarHBondContact CA-O 3.35Å
322M92.7Very high96.6Very high30 Ų3016.7 Ų16.715%0.1489%0.089CC..  trans-147.9170.2175.965.1-165.7-63.800109.1E324 G325 Q326 Y360 F386M322-E324 HydrophobicContact CE-CB 4.45Å; M322-E324 VanDerWaalsContact CE-OE2 3.32Å; M322-E324 WeakPolarHBondContact CE-OE2 3.41Å; M322-E324 HydrophobicContact CG-CB 4.18Å; M322-E324 PolarHBondContact O-N 3.42Å; M322-G325 PolarHBondContact O-N 2.97Å; M322-Q326 PolarHBondContact N-O 3.41Å; M322-Q326 WeakPolarHBondContact O-CA 3.41Å; M322-Q326 PolarHBondContact O-N 3.15Å; M322-Y360 VanDerWaalsContact CG-OH 3.26Å; M322-Y360 WeakPolarHBondContact CG-OH 3.45Å; M322-Y360 HydrophobicContact SD-CE1 3.81Å; M322-Y360 PolarHBondContact SD-OH 2.88Å; M322-F386 HydrophobicContact CE-CE1 3.95Å; M322-F386 HydrophobicContact SD-CE1 4.03Å
323T93.6Very high96.6Very high23 Ų2318 Ų1814%0.14110%0.096CC..THydrogen-bonded Turntrans-55.4-41.2-178.4-56.80000111.6C181 A193 I195 I228 G325C181-T323 HydrophobicContact CB-CG2 3.51Å; A193-T323 HydrophobicContact CB-CG2 3.74Å; I195-T323 WeakPolarHBondContact CD1-O 3.43Å; I228-T323 HydrophobicContact CG1-CG2 3.96Å; T323-G325 PolarHBondContact O-N 3.22Å
324E96.5Very high96.3Very high12 Ų1223 Ų236%0.05611%0.108CC..THydrogen-bonded Turntrans-71.4-23.9-177.7-6594.3147.900114.9T183 A193 M322 T365 F366 Y369 F386T183-E324 WeakPolarHBondContact CG2-OE1 3.28Å; A193-E324 HydrophobicContact CB-CG 4.47Å; M322-E324 HydrophobicContact CE-CB 4.45Å; M322-E324 VanDerWaalsContact CE-OE2 3.32Å; M322-E324 WeakPolarHBondContact CE-OE2 3.41Å; M322-E324 HydrophobicContact CG-CB 4.18Å; M322-E324 PolarHBondContact O-N 3.42Å; E324-T365 CarbonylContact O-C 3.47Å; E324-T365 WeakPolarHBondContact O-CA 3.44Å; E324-F366 HydrophobicContact CB-CD1 3.62Å; E324-F366 HydrophobicContact CB-CD2 4.25Å; E324-F366 HydrophobicContact CB-CE1 3.71Å; E324-F366 HydrophobicContact CB-CE2 4.3Å; E324-F366 HydrophobicContact CB-CG 3.92Å; E324-F366 HydrophobicContact CB-CZ 4.05Å; E324-F366 HydrophobicContact CG-CD1 4.06Å; E324-F366 HydrophobicContact CG-CD2 3.91Å; E324-F366 HydrophobicContact CG-CE1 3.84Å; E324-F366 HydrophobicContact CG-CE2 3.65Å; E324-F366 HydrophobicContact CG-CG 4.11Å; E324-F366 HydrophobicContact CG-CZ 3.62Å; E324-F366 WeakPolarHBondContact O-CB 3.24Å; E324-F366 VanDerWaalsContact O-CD1 3.28Å; E324-F366 WeakPolarHBondContact O-CD1 3.5Å; E324-F366 PolarHBondContact O-N 3.36Å; E324-Y369 HydrophobicContact CG-CE1 3.99Å; E324-Y369 PolarHBondContact OE1-OH 3.28Å; E324-F386 HydrophobicContact CB-CD1 4.4Å; E324-F386 HydrophobicContact CB-CE1 3.74Å; E324-F386 HydrophobicContact CB-CZ 3.85Å; E324-F386 HydrophobicContact CG-CE1 4.13Å; E324-F386 HydrophobicContact CG-CE2 4.47Å; E324-F386 HydrophobicContact CG-CZ 3.75Å
325G96.5Very high96Very high0 Ų025 Ų250%013%0.133CC..THydrogen-bonded Turntrans-123.3-1.7-17500000114.3M322 T323 I327 Y360 N364M322-G325 PolarHBondContact O-N 2.97Å; T323-G325 PolarHBondContact O-N 3.22Å; G325-I327 CarbonylContact O-C 3.35Å; G325-I327 PolarHBondContact O-N 2.85Å; G325-Y360 VanDerWaalsContact CA-OH 3.31Å; G325-Y360 WeakPolarHBondContact CA-OH 3.49Å; G325-Y360 PolarHBondContact N-OH 3.49Å; G325-Y360 VanDerWaalsContact N-OH 3.16Å; G325-N364 PolarHBondContact O-ND2 3.4Å
326Q97.1Very high95.8Very high1 Ų127.1 Ų27.11%0.00514%0.141CC..SBendtrans52.2-100.7-170.6-58.2172.887.800111.8N199 N203 I228 G321 M322 N364N199-Q326 VanDerWaalsContact C-NE2 3.34Å; N199-Q326 PolarHBondContact O-NE2 2.84Å; N203-Q326 HydrophobicContact CB-CB 4.43Å; N203-Q326 VanDerWaalsContact OD1-CB 3.29Å; N203-Q326 WeakPolarHBondContact OD1-CB 3.33Å; I228-Q326 HydrophobicContact CG2-CB 4.25Å; I228-Q326 HydrophobicContact CG2-CG 4.06Å; G321-Q326 CarbonylContact C-O 3.5Å; G321-Q326 WeakPolarHBondContact CA-O 3.35Å; M322-Q326 PolarHBondContact N-O 3.41Å; M322-Q326 WeakPolarHBondContact O-CA 3.41Å; M322-Q326 PolarHBondContact O-N 3.15Å; Q326-N364 PolarHBondContact NE2-O 3.36Å
327I98.2Very high95.7Very high0 Ų028.9 Ų28.90%015%0.148CC..  trans-113.6122.3170.9-46.4-48.7000109.8N203 L207 V233 R319 G325 L346 N364N203-I327 PolarHBondContact OD1-N 3.19Å; L207-I327 HydrophobicContact CD1-CG1 3.81Å; L207-I327 HydrophobicContact CD2-CB 4.12Å; L207-I327 HydrophobicContact CD2-CG1 3.85Å; L207-I327 HydrophobicContact CD2-CG2 4.24Å; L207-I327 HydrophobicContact CG-CG1 4.34Å; V233-I327 HydrophobicContact CB-CD1 4.29Å; V233-I327 HydrophobicContact CG1-CD1 3.79Å; V233-I327 HydrophobicContact CG1-CG1 4.12Å; V233-I327 HydrophobicContact CG2-CD1 3.47Å; V233-I327 VanDerWaalsContact CG2-CD1 3.47Å; V233-I327 HydrophobicContact CG2-CG1 3.91Å; R319-I327 HydrophobicContact CB-CG2 4.41Å; G325-I327 CarbonylContact O-C 3.35Å; G325-I327 PolarHBondContact O-N 2.85Å; I327-L346 HydrophobicContact CB-CD1 4.35Å; I327-L346 HydrophobicContact CB-CD2 3.94Å; I327-L346 HydrophobicContact CG2-CD1 3.57Å; I327-L346 HydrophobicContact CG2-CD2 3.88Å; I327-L346 HydrophobicContact CG2-CG 4.42Å; I327-N364 PolarHBondContact O-ND2 3.3Å
328V98.4Very high95.5Very high0 Ų030 Ų300%015%0.152CC..  trans-104.7-42.5-178175.50000110.9Y320 P345 L346 I349 V351 Y360Y320-V328 HydrophobicContact CD1-CB 3.84Å; Y320-V328 HydrophobicContact CD1-CG1 4.3Å; Y320-V328 HydrophobicContact CD1-CG2 4.47Å; Y320-V328 HydrophobicContact CE1-CB 4.11Å; Y320-V328 HydrophobicContact CE1-CG1 4.4Å; Y320-V328 HydrophobicContact CE1-CG2 4.33Å; Y320-V328 PolarHBondContact O-N 3.02Å; V328-P345 WeakPolarHBondContact O-CA 3.36Å; V328-L346 WeakPolarHBondContact O-CD1 3.41Å; V328-L346 PolarHBondContact O-N 2.96Å; V328-I349 HydrophobicContact CG1-CG2 3.93Å; V328-V351 HydrophobicContact CG1-CG1 3.93Å; V328-Y360 HydrophobicContact CG1-CD1 3.95Å; V328-Y360 HydrophobicContact CG1-CD2 4.43Å; V328-Y360 HydrophobicContact CG1-CG 3.8Å; V328-Y360 HydrophobicContact CG2-CD1 3.92Å; V328-Y360 HydrophobicContact CG2-CD2 3.89Å; V328-Y360 HydrophobicContact CG2-CE1 3.88Å; V328-Y360 HydrophobicContact CG2-CE2 3.87Å; V328-Y360 HydrophobicContact CG2-CG 3.92Å
329C98.2Very high95.1Very high0 Ų032.1 Ų32.10%017%0.167CC..EExtended strand (participates in β ladder)trans-130.7151.2176.3-56.40000111.3R319 Y320 V342 I344 L346R319-C329 CarbonylContact C-O 3.58Å; R319-C329 WeakPolarHBondContact CA-O 3.37Å; R319-C329 VanDerWaalsContact CB-O 3.26Å; R319-C329 WeakPolarHBondContact CB-O 3.35Å; Y320-C329 PolarHBondContact N-O 3.04Å; Y320-C329 PolarHBondContact O-N 3.12Å; C329-V342 CarbonylContact C-O 3.57Å; C329-V342 VanDerWaalsContact C-O 3.31Å; C329-V342 HydrophobicContact CB-CG2 4.09Å; C329-V342 WeakPolarHBondContact CB-O 3.46Å; C329-I344 CarbonylContact C-O 3.55Å; C329-I344 WeakPolarHBondContact CA-O 3.2Å; C329-I344 WeakPolarHBondContact CB-O 3.42Å; C329-L346 VanDerWaalsContact C-CD1 3.46Å
330S98Very high94.4Very high2 Ų232.7 Ų32.71%0.01418%0.176CC..EExtended strand (participates in β ladder)trans-145.1140.9171.1-177.50000111W211 I317 V342 G343 I344W211-S330 PolarHBondContact NE1-OG 2.98Å; I317-S330 WeakPolarHBondContact CG2-OG 3.48Å; S330-V342 CarbonylContact C-O 3.44Å; S330-V342 VanDerWaalsContact CA-O 3.28Å; S330-V342 WeakPolarHBondContact CA-O 3.38Å; S330-V342 PolarHBondContact N-O 2.92Å; S330-G343 WeakPolarHBondContact O-CA 3.5Å; S330-I344 PolarHBondContact N-O 3.41Å; S330-I344 PolarHBondContact O-N 3.23Å
331N97.9Very high94.3Very high3 Ų332.4 Ų32.42%0.01618%0.177CC..  trans-59.3145.6161.5-87.1-83000109.3I317 E318 R337 K338 T341 V342 G343I317-N331 HydrophobicContact CG2-CB 4.08Å; I317-N331 WeakPolarHBondContact CG2-O 3.49Å; E318-N331 WeakPolarHBondContact O-CB 3.26Å; E318-N331 PolarHBondContact O-N 3.02Å; E318-N331 PolarHBondContact O-ND2 2.96Å; N331-R337 HydrophobicContact CB-CG 4.33Å; N331-K338 PolarHBondContact OD1-N 3.43Å; N331-T341 PolarHBondContact ND2-O 3.39Å; N331-V342 PolarHBondContact N-O 3.12Å; N331-G343 PolarHBondContact ND2-N 3.04Å
332P96.8Very high94.3Very high24 Ų2432 Ų3216%0.15617%0.17CC..  trans-74144.4-173.430.3-35.7000111.7R334 K336 R337P332-R334 VanDerWaalsContact C-N 3.34Å; P332-K336 WeakPolarHBondContact CG-O 3.41Å; P332-R337 PolarHBondContact O-NE 2.8Å; P332-R337 VanDerWaalsContact O-NE 3.14Å
333L96.5Very high94.5Very high28 Ų2830.6 Ų30.615%0.14716%0.163CC..SBendtrans-63-44.1169.3177.570.9000111L210 A212 L292 I317 R337L210-L333 VanDerWaalsContact O-CB 3.23Å; L210-L333 WeakPolarHBondContact O-CB 3.16Å; A212-L333 HydrophobicContact CB-CD2 3.62Å; L292-L333 HydrophobicContact CD1-CD1 3.97Å; I317-L333 HydrophobicContact CD1-CB 4.31Å; I317-L333 HydrophobicContact CD1-CD1 4.16Å; L333-R337 PolarHBondContact O-NH2 3.44Å
334R92.3Very high94.7Very high203 Ų20332.8 Ų32.877%0.76617%0.174SC*.SBendtrans-116.9123.4179.5-60.5-179.5-179.6113-1.1109.1P332P332-R334 VanDerWaalsContact C-N 3.34Å
335G90.3Very high94.8Very high61 Ų6134.1 Ų34.163%0.62918%0.183SC*.SBendtrans120.5-168.5-176.300000111.5R337G335-R337 PolarHBondContact O-N 3.13Å
336K92.3Very high94.8Very high126 Ų12634.3 Ų34.355%0.54818%0.184SC..  trans-75.1119.2-176.7-174.4178.2177.8-176.20110.4P332 K338 Y399P332-K336 WeakPolarHBondContact CG-O 3.41Å; K336-K338 HydrophobicContact CG-CG 4.38Å; K336-Y399 PolarHBondContact O-OH 3.39Å
337R94.6Very high94.8Very high38 Ų3837.7 Ų37.714%0.14321%0.207CC..  trans-85.6137165.3-61.3176.5-174159.614.8107.7W305 E315 N331 P332 L333 G335W305-R337 HydrophobicContact CZ2-CB 4.34Å; E315-R337 PolarHBondContact O-NH1 3.5Å; E315-R337 WeakPolarHBondContact OE2-CD 3.45Å; N331-R337 HydrophobicContact CB-CG 4.33Å; P332-R337 PolarHBondContact O-NE 2.8Å; P332-R337 VanDerWaalsContact O-NE 3.14Å; L333-R337 PolarHBondContact O-NH2 3.44Å; G335-R337 PolarHBondContact O-N 3.13Å
338K93Very high94.7Very high23 Ų2340.3 Ų40.310%0.123%0.233CC..  trans-113.6108.6179.9-72-169.3-173.1179.50110.1N331 K336 T341 D395 E397 Y399N331-K338 PolarHBondContact OD1-N 3.43Å; K336-K338 HydrophobicContact CG-CG 4.38Å; K338-T341 HydrophobicContact CB-CG2 3.71Å; K338-T341 WeakPolarHBondContact CB-OG1 3.32Å; K338-T341 HydrophobicContact CD-CG2 4.38Å; K338-T341 PolarHBondContact O-N 2.84Å; K338-T341 VanDerWaalsContact O-N 3.15Å; K338-T341 PolarHBondContact O-OG1 2.63Å; K338-D395 IonicContact NZ-OD1 2.8Å; K338-D395 IonicContact NZ-OD2 3.58Å; K338-D395 PolarHBondContact NZ-OD2 3.49Å; K338-E397 WeakPolarHBondContact CE-OE2 3.37Å; K338-E397 IonicContact NZ-OE1 2.85Å; K338-E397 IonicContact NZ-OE2 3.78Å; K338-E397 PolarHBondContact NZ-OE2 3.37Å; K338-Y399 HydrophobicContact CB-CD1 3.87Å; K338-Y399 HydrophobicContact CB-CE1 3.97Å; K338-Y399 HydrophobicContact CD-CD1 3.74Å; K338-Y399 HydrophobicContact CD-CD2 3.82Å; K338-Y399 HydrophobicContact CD-CE1 3.96Å; K338-Y399 HydrophobicContact CD-CE2 4.05Å; K338-Y399 HydrophobicContact CD-CG 3.68Å; K338-Y399 HydrophobicContact CG-CD1 3.91Å; K338-Y399 HydrophobicContact CG-CE1 3.76Å; K338-Y399 HydrophobicContact CG-CE2 4.5Å; K338-Y399 HydrophobicContact CG-CG 4.36Å
339P88.6Confident94.7Very high55 Ų5541 Ų4136%0.35724%0.237SC..THydrogen-bonded Turntrans-56.6140.4175-22.633.6000111.3W305 T341W305-P339 HydrophobicContact CB-CB 4.43Å; W305-P339 HydrophobicContact CD2-CB 4.07Å; W305-P339 HydrophobicContact CD2-CG 3.51Å; W305-P339 HydrophobicContact CE3-CB 4.1Å; W305-P339 HydrophobicContact CE3-CG 3.34Å; W305-P339 HydrophobicContact CG-CB 4.2Å; W305-P339 HydrophobicContact CG-CG 4.15Å; W305-P339 HydrophobicContact CH2-CG 3.91Å; W305-P339 HydrophobicContact CZ2-CG 4.02Å; W305-P339 HydrophobicContact CZ3-CG 3.57Å; P339-T341 PolarHBondContact O-N 3.4Å
340G82.2Confident94.7Very high22 Ų2245.6 Ų45.623%0.22726%0.258CS..THydrogen-bonded Turntrans79.5-0.1-176.800000114.7Q401G340-Q401 WeakPolarHBondContact O-CG 3.28Å
341T92.3Very high94.7Very high13 Ų1347 Ų478%0.0827%0.266CS..  trans-113.5156.5171.4780000110.2N331 K338 P339 G343 Y399 V400N331-T341 PolarHBondContact ND2-O 3.39Å; K338-T341 HydrophobicContact CB-CG2 3.71Å; K338-T341 WeakPolarHBondContact CB-OG1 3.32Å; K338-T341 HydrophobicContact CD-CG2 4.38Å; K338-T341 PolarHBondContact O-N 2.84Å; K338-T341 VanDerWaalsContact O-N 3.15Å; K338-T341 PolarHBondContact O-OG1 2.63Å; P339-T341 PolarHBondContact O-N 3.4Å; T341-G343 VanDerWaalsContact C-N 3.3Å; T341-G343 PolarHBondContact OG1-N 3.29Å; T341-Y399 WeakPolarHBondContact OG1-CD1 2.67Å; T341-V400 WeakPolarHBondContact CA-O 3.49Å; T341-V400 WeakPolarHBondContact CB-O 3.43Å
342V94.8Very high94.6Very high8 Ų848.4 Ų48.45%0.04828%0.277CS..  trans-96.913.6173.8-62.40000112.2E318 Y320 C329 S330 N331 V400 I402E318-V342 HydrophobicContact CG-CG1 4.18Å; Y320-V342 VanDerWaalsContact CB-CB 3.49Å; Y320-V342 VanDerWaalsContact CB-CG2 3.48Å; Y320-V342 HydrophobicContact CG-CG2 4.31Å; C329-V342 CarbonylContact C-O 3.57Å; C329-V342 VanDerWaalsContact C-O 3.31Å; C329-V342 HydrophobicContact CB-CG2 4.09Å; C329-V342 WeakPolarHBondContact CB-O 3.46Å; S330-V342 CarbonylContact C-O 3.44Å; S330-V342 VanDerWaalsContact CA-O 3.28Å; S330-V342 WeakPolarHBondContact CA-O 3.38Å; S330-V342 PolarHBondContact N-O 2.92Å; N331-V342 PolarHBondContact N-O 3.12Å; V342-V400 HydrophobicContact CG2-CB 3.78Å; V342-V400 HydrophobicContact CG2-CG1 3.76Å; V342-V400 VanDerWaalsContact CG2-O 3.25Å; V342-V400 WeakPolarHBondContact CG2-O 3.5Å; V342-V400 PolarHBondContact N-O 3.48Å; V342-I402 HydrophobicContact CG1-CG1 3.93Å; V342-I402 HydrophobicContact CG2-CD1 4.28Å; V342-I402 HydrophobicContact CG2-CG1 3.96Å
343G97.3Very high94.5Very high0 Ų049.7 Ų49.70%028%0.282CS..  trans79.4-153.3-179.800000114.3S330 N331 T341 V400S330-G343 WeakPolarHBondContact O-CA 3.5Å; N331-G343 PolarHBondContact ND2-N 3.04Å; T341-G343 VanDerWaalsContact C-N 3.3Å; T341-G343 PolarHBondContact OG1-N 3.29Å; G343-V400 PolarHBondContact O-N 3.22Å
344I97.4Very high94.4Very high70 Ų7052 Ų5236%0.35929%0.288SS..EExtended strand (participates in β ladder)trans-106.7159.9-173.661.8175.7000110.8C329 S330 Y399C329-I344 CarbonylContact C-O 3.55Å; C329-I344 WeakPolarHBondContact CA-O 3.2Å; C329-I344 WeakPolarHBondContact CB-O 3.42Å; S330-I344 PolarHBondContact N-O 3.41Å; S330-I344 PolarHBondContact O-N 3.23Å; I344-Y399 HydrophobicContact CG2-CD1 4.37Å; I344-Y399 HydrophobicContact CG2-CD2 3.96Å; I344-Y399 HydrophobicContact CG2-CE2 4.09Å; I344-Y399 HydrophobicContact CG2-CG 4.09Å
345P97.9Very high94.2Very high39 Ų3951.9 Ų51.925%0.25330%0.297SS..EExtended strand (participates in β ladder)trans-53.9140.6175.3-26.736.2000112.6V328 I349 V351V328-P345 WeakPolarHBondContact O-CA 3.36Å; P345-I349 WeakPolarHBondContact CB-O 3.28Å; P345-V351 HydrophobicContact CB-CG1 3.98Å; P345-V351 HydrophobicContact CB-CG2 4.4Å; P345-V351 HydrophobicContact CG-CB 4.11Å; P345-V351 HydrophobicContact CG-CG1 3.69Å; P345-V351 HydrophobicContact CG-CG2 3.33Å
346L97.7Very high94.1Very high4 Ų450.1 Ų50.12%0.02128%0.279CS..PPolyproline II helixtrans-65.1153.6174.2-85.775000110.5T206 L207 L210 I327 V328 C329 G348 I349T206-L346 HydrophobicContact CG2-CB 4.18Å; T206-L346 HydrophobicContact CG2-CD2 3.8Å; T206-L346 HydrophobicContact CG2-CG 4.28Å; L207-L346 HydrophobicContact CD2-CD2 3.82Å; L210-L346 HydrophobicContact CD1-CD2 4.4Å; L210-L346 HydrophobicContact CD1-CG 3.84Å; I327-L346 HydrophobicContact CB-CD1 4.35Å; I327-L346 HydrophobicContact CB-CD2 3.94Å; I327-L346 HydrophobicContact CG2-CD1 3.57Å; I327-L346 HydrophobicContact CG2-CD2 3.88Å; I327-L346 HydrophobicContact CG2-CG 4.42Å; V328-L346 WeakPolarHBondContact O-CD1 3.41Å; V328-L346 PolarHBondContact O-N 2.96Å; C329-L346 VanDerWaalsContact C-CD1 3.46Å; L346-G348 PolarHBondContact O-N 3.44Å; L346-I349 HydrophobicContact CB-CB 4.41Å; L346-I349 HydrophobicContact CB-CG1 3.69Å; L346-I349 WeakPolarHBondContact O-CB 3.42Å; L346-I349 PolarHBondContact O-N 2.63Å
347P96.3Very high94.2Very high73 Ų7345.3 Ų45.347%0.47426%0.26SS..THydrogen-bonded Turntrans-51.5129.3171.4-26.734.9000112.2T206 I349T206-P347 HydrophobicContact CG2-CG 4.39Å; P347-I349 VanDerWaalsContact C-N 3.28Å; P347-I349 PolarHBondContact O-N 2.75Å
348G96.3Very high94.2Very high54 Ų5443.5 Ų43.556%0.55725%0.253SS*.THydrogen-bonded Turntrans81.4-0.5-176.700000115.1L346 P363L346-G348 PolarHBondContact O-N 3.44Å; G348-P363 VanDerWaalsContact O-CD 3.3Å; G348-P363 WeakPolarHBondContact O-CD 3.19Å
349I98.1Very high94.4Very high15 Ų1543 Ų438%0.07725%0.251CS..  trans-102124.8173.1-50.5-51.9000109.6V328 P345 L346 P347 V351 N364V328-I349 HydrophobicContact CG1-CG2 3.93Å; P345-I349 WeakPolarHBondContact CB-O 3.28Å; L346-I349 HydrophobicContact CB-CB 4.41Å; L346-I349 HydrophobicContact CB-CG1 3.69Å; L346-I349 WeakPolarHBondContact O-CB 3.42Å; L346-I349 PolarHBondContact O-N 2.63Å; P347-I349 VanDerWaalsContact C-N 3.28Å; P347-I349 PolarHBondContact O-N 2.75Å; I349-V351 HydrophobicContact CG2-CG1 4.32Å; I349-N364 WeakPolarHBondContact CD1-OD1 3.24Å
350E98.1Very high94.9Very high97 Ų9740.4 Ų40.445%0.45323%0.234SC..EExtended strand (participates in β ladder)trans-96.7134.5169.5-65172.7-86.900108.9Y360 R361 F385E350-Y360 CarbonylContact O-C 3.59Å; E350-Y360 WeakPolarHBondContact O-CA 3.36Å; E350-R361 PolarHBondContact N-O 3.44Å; E350-R361 PolarHBondContact O-N 3.2Å; E350-R361 IonicContact OE1-CZ 2.88Å; E350-R361 IonicContact OE1-NE 2.81Å; E350-R361 PolarHBondContact OE1-NE 3.3Å; E350-R361 IonicContact OE1-NH2 3.45Å; E350-R361 PolarHBondContact OE1-NH2 3.47Å; E350-R361 IonicContact OE2-NH2 3.6Å; E350-R361 PolarHBondContact OE2-NH2 3.19Å; E350-F385 HydrophobicContact CB-CE1 3.8Å; E350-F385 HydrophobicContact CB-CZ 3.92Å
351V98Very high95.7Very high30 Ų3043.7 Ų43.718%0.18224%0.24CC..EExtended strand (participates in β ladder)trans-119.2149.3172-56.50000110.4V328 P345 I349 L358 H359 L394 V400V328-V351 HydrophobicContact CG1-CG1 3.93Å; P345-V351 HydrophobicContact CB-CG1 3.98Å; P345-V351 HydrophobicContact CB-CG2 4.4Å; P345-V351 HydrophobicContact CG-CB 4.11Å; P345-V351 HydrophobicContact CG-CG1 3.69Å; P345-V351 HydrophobicContact CG-CG2 3.33Å; I349-V351 HydrophobicContact CG2-CG1 4.32Å; V351-L358 HydrophobicContact CB-CD1 4.04Å; V351-L358 HydrophobicContact CG1-CD1 4.37Å; V351-H359 CarbonylContact C-O 3.56Å; V351-H359 WeakPolarHBondContact CA-O 3.34Å; V351-L394 HydrophobicContact CG2-CD2 4.49Å; V351-V400 HydrophobicContact CG2-CG2 4.47Å
352S96.8Very high95.9Very high34 Ų3444 Ų4424%0.23825%0.246CC..EExtended strand (participates in β ladder)trans-144.7132.7177.2-179.40000108.9R354 H359S352-R354 PolarHBondContact OG-NE 3.35Å; S352-H359 PolarHBondContact N-O 2.97Å; S352-H359 WeakPolarHBondContact O-CB 3.41Å; S352-H359 PolarHBondContact O-N 2.83Å
353I95Very high96.1Very high50 Ų5046.7 Ų46.726%0.25626%0.263SS..EExtended strand (participates in β ladder)trans-94.3108.6171-55-54.6000107.8L358 A392 L394I353-L358 HydrophobicContact CD1-CB 4.19Å; I353-L358 HydrophobicContact CD1-CD1 3.68Å; I353-A392 HydrophobicContact CD1-CB 3.79Å; I353-A392 VanDerWaalsContact CG2-O 3.31Å; I353-A392 WeakPolarHBondContact CG2-O 3.37Å; I353-L394 HydrophobicContact CG1-CD1 4.01Å; I353-L394 HydrophobicContact CG1-CG 4.03Å
354R93.8Very high96.1Very high76 Ų7646.9 Ų46.929%0.28726%0.264SS..EExtended strand (participates in β ladder)trans-111.1116.7179.7-58.5-174.1-178.9-160.30.1109.1S352 G356 V357 D383S352-R354 PolarHBondContact OG-NE 3.35Å; R354-G356 PolarHBondContact O-N 3.11Å; R354-V357 PolarHBondContact N-O 3.33Å; R354-V357 PolarHBondContact O-N 3.04Å; R354-D383 IonicContact CZ-OD1 3.63Å; R354-D383 IonicContact CZ-OD2 2.64Å; R354-D383 IonicContact NH1-OD1 2.69Å; R354-D383 PolarHBondContact NH1-OD1 3.09Å; R354-D383 IonicContact NH1-OD2 2.65Å; R354-D383 PolarHBondContact NH1-OD2 3.01Å; R354-D383 IonicContact NH2-OD1 2.63Å; R354-D383 PolarHBondContact NH2-OD1 3.1Å; R354-D383 IonicContact NH2-OD2 3.19Å; R354-D383 PolarHBondContact NH2-OD2 3.1Å
355Q88.8Confident96.1Very high201 Ų20144.2 Ų44.294%0.93925%0.251SS*.THydrogen-bonded Turntrans51.239.7-176.4-59.5176.4-31.300112.2V357Q355-V357 VanDerWaalsContact C-N 3.28Å; Q355-V357 PolarHBondContact O-N 2.77Å
356G87.7Confident96.1Very high25 Ų2542.6 Ų42.626%0.25824%0.24SC..THydrogen-bonded Turntrans79.5-3.5-178.300000115.7R354 V391 A392R354-G356 PolarHBondContact O-N 3.11Å; G356-V391 VanDerWaalsContact O-CA 3.3Å; G356-V391 WeakPolarHBondContact O-CA 3.34Å; G356-V391 WeakPolarHBondContact O-CG1 3.38Å; G356-A392 PolarHBondContact O-N 3.32Å
357V93.1Very high96.1Very high24 Ų2447.7 Ų47.715%0.14526%0.262CS..EExtended strand (participates in β ladder)trans-102.2132.2-178.9-1790000111.2R354 Q355 H359 N387R354-V357 PolarHBondContact N-O 3.33Å; R354-V357 PolarHBondContact O-N 3.04Å; Q355-V357 VanDerWaalsContact C-N 3.28Å; Q355-V357 PolarHBondContact O-N 2.77Å; V357-H359 PolarHBondContact O-N 3.11Å; V357-H359 PolarHBondContact O-ND1 3.2Å; V357-N387 VanDerWaalsContact CG1-OD1 3.26Å; V357-N387 WeakPolarHBondContact CG1-OD1 3.42Å
358L95.4Very high96.2Very high0 Ų044.2 Ų44.20%024%0.24CC..EExtended strand (participates in β ladder)trans-68.2124.2176.5-178.863.2000110.9Y320 V351 I353 S388 D390 A392 V400 I402Y320-L358 HydrophobicContact CD1-CD2 3.99Å; Y320-L358 HydrophobicContact CE1-CD2 3.42Å; Y320-L358 VanDerWaalsContact CE1-CD2 3.42Å; V351-L358 HydrophobicContact CB-CD1 4.04Å; V351-L358 HydrophobicContact CG1-CD1 4.37Å; I353-L358 HydrophobicContact CD1-CB 4.19Å; I353-L358 HydrophobicContact CD1-CD1 3.68Å; L358-S388 WeakPolarHBondContact O-CB 3.49Å; L358-S388 PolarHBondContact O-N 2.63Å; L358-S388 VanDerWaalsContact O-N 3.12Å; L358-S388 PolarHBondContact O-OG 2.81Å; L358-D390 PolarHBondContact N-O 2.83Å; L358-A392 HydrophobicContact CB-CB 3.93Å; L358-V400 HydrophobicContact CD2-CG1 4.5Å; L358-I402 HydrophobicContact CD2-CD1 3.94Å
359H98Very high96.2Very high14 Ų1441.9 Ų41.97%0.06521%0.214CC..EExtended strand (participates in β ladder)trans-117.9142.2170.7-72.471.6000108.7V351 S352 V357 F385 F386V351-H359 CarbonylContact C-O 3.56Å; V351-H359 WeakPolarHBondContact CA-O 3.34Å; S352-H359 PolarHBondContact N-O 2.97Å; S352-H359 WeakPolarHBondContact O-CB 3.41Å; S352-H359 PolarHBondContact O-N 2.83Å; V357-H359 PolarHBondContact O-N 3.11Å; V357-H359 PolarHBondContact O-ND1 3.2Å; H359-F385 HydrophobicContact CB-CB 3.94Å; H359-F385 HydrophobicContact CB-CD1 4.21Å; H359-F385 HydrophobicContact CB-CG 4.43Å; H359-F386 WeakPolarHBondContact CA-O 3.42Å
360Y98.4Very high96.2Very high0 Ų044.4 Ų44.40%022%0.223CC..EExtended strand (participates in β ladder)trans-142.4156.6176.262.3-98.4000112.8M322 G325 V328 E350 T365 F385 F386M322-Y360 VanDerWaalsContact CG-OH 3.26Å; M322-Y360 WeakPolarHBondContact CG-OH 3.45Å; M322-Y360 HydrophobicContact SD-CE1 3.81Å; M322-Y360 PolarHBondContact SD-OH 2.88Å; G325-Y360 VanDerWaalsContact CA-OH 3.31Å; G325-Y360 WeakPolarHBondContact CA-OH 3.49Å; G325-Y360 PolarHBondContact N-OH 3.49Å; G325-Y360 VanDerWaalsContact N-OH 3.16Å; V328-Y360 HydrophobicContact CG1-CD1 3.95Å; V328-Y360 HydrophobicContact CG1-CD2 4.43Å; V328-Y360 HydrophobicContact CG1-CG 3.8Å; V328-Y360 HydrophobicContact CG2-CD1 3.92Å; V328-Y360 HydrophobicContact CG2-CD2 3.89Å; V328-Y360 HydrophobicContact CG2-CE1 3.88Å; V328-Y360 HydrophobicContact CG2-CE2 3.87Å; V328-Y360 HydrophobicContact CG2-CG 3.92Å; E350-Y360 CarbonylContact O-C 3.59Å; E350-Y360 WeakPolarHBondContact O-CA 3.36Å; Y360-T365 HydrophobicContact CE2-CG2 4.15Å; Y360-F385 CarbonylContact O-C 3.49Å; Y360-F385 WeakPolarHBondContact O-CA 3.33Å; Y360-F386 AromaticContact CE1-CD1 3.83Å; Y360-F386 HydrophobicContact CE1-CD1 3.83Å; Y360-F386 HydrophobicContact CE1-CE1 4.44Å; Y360-F386 HydrophobicContact CE2-CB 4.34Å; Y360-F386 HydrophobicContact CE2-CD1 4.03Å; Y360-F386 AromaticContact CZ-CD1 3.46Å; Y360-F386 VanDerWaalsContact CZ-CD1 3.46Å; Y360-F386 PolarHBondContact N-O 3.26Å; Y360-F386 VanDerWaalsContact N-O 3.08Å; Y360-F386 PolarHBondContact O-N 2.89Å; Y360-F386 VanDerWaalsContact OH-CD1 3.29Å; Y360-F386 WeakPolarHBondContact OH-CD1 3.46Å; Y360-F386 WeakPolarHBondContact OH-CE1 3.37Å
361R98.1Very high96Very high90 Ų9043.3 Ų43.334%0.3424%0.238SC..EExtended strand (participates in β ladder)trans-144.6139.5175-175.8177.366.1-176.50.6109.2E350 D383 G384 F385E350-R361 PolarHBondContact N-O 3.44Å; E350-R361 PolarHBondContact O-N 3.2Å; E350-R361 IonicContact OE1-CZ 2.88Å; E350-R361 IonicContact OE1-NE 2.81Å; E350-R361 PolarHBondContact OE1-NE 3.3Å; E350-R361 IonicContact OE1-NH2 3.45Å; E350-R361 PolarHBondContact OE1-NH2 3.47Å; E350-R361 IonicContact OE2-NH2 3.6Å; E350-R361 PolarHBondContact OE2-NH2 3.19Å; R361-D383 PolarHBondContact NH1-O 3.13Å; R361-G384 WeakPolarHBondContact CD-O 3.28Å; R361-G384 WeakPolarHBondContact CG-O 3.28Å; R361-F385 HydrophobicContact CB-CD1 3.97Å; R361-F385 HydrophobicContact CB-CD2 4.5Å; R361-F385 HydrophobicContact CB-CE1 4.18Å; R361-F385 HydrophobicContact CB-CG 4.12Å
362G98.1Very high95.9Very high20 Ų2044.3 Ų44.321%0.20624%0.241CC..SBendtrans174.3176.1173.500000112.9N364 T365G362-N364 PolarHBondContact O-N 2.97Å; G362-N364 VanDerWaalsContact O-N 3.11Å; G362-T365 PolarHBondContact N-OG1 3.49Å; G362-T365 WeakPolarHBondContact O-CB 3.49Å; G362-T365 PolarHBondContact O-N 3.21Å; G362-T365 PolarHBondContact O-OG1 3.31Å
363P97.6Very high95.8Very high64 Ų6446.5 Ų46.542%0.41626%0.261SS..THydrogen-bonded Turntrans-64.8-17-174.226.9-36.7000114.2N199 S202 G348N199-P363 WeakPolarHBondContact CA-O 3.35Å; N199-P363 PolarHBondContact ND2-O 3.44Å; S202-P363 PolarHBondContact OG-O 3.46Å; G348-P363 VanDerWaalsContact O-CD 3.3Å; G348-P363 WeakPolarHBondContact O-CD 3.19Å
364N96.8Very high95.9Very high4 Ų448.1 Ų48.12%0.02127%0.267CS..THydrogen-bonded Turntrans-94.9-1.5178.571.6-15.2000113.9N203 G325 Q326 I327 I349 G362N203-N364 HydrophobicContact CB-CB 3.94Å; N203-N364 PolarHBondContact OD1-ND2 2.92Å; G325-N364 PolarHBondContact O-ND2 3.4Å; Q326-N364 PolarHBondContact NE2-O 3.36Å; I327-N364 PolarHBondContact O-ND2 3.3Å; I349-N364 WeakPolarHBondContact CD1-OD1 3.24Å; G362-N364 PolarHBondContact O-N 2.97Å; G362-N364 VanDerWaalsContact O-N 3.11Å
365T98.3Very high95.8Very high15 Ų1548.4 Ų48.49%0.09227%0.271CS..SBendtrans-71.4127.5174.4-56.10000108.9N199 E324 Y360 G362 F380 F386N199-T365 PolarHBondContact ND2-O 3.05Å; N199-T365 PolarHBondContact OD1-O 2.98Å; E324-T365 CarbonylContact O-C 3.47Å; E324-T365 WeakPolarHBondContact O-CA 3.44Å; Y360-T365 HydrophobicContact CE2-CG2 4.15Å; G362-T365 PolarHBondContact N-OG1 3.49Å; G362-T365 WeakPolarHBondContact O-CB 3.49Å; G362-T365 PolarHBondContact O-N 3.21Å; G362-T365 PolarHBondContact O-OG1 3.31Å; T365-F380 HydrophobicContact CG2-CE1 3.93Å; T365-F380 HydrophobicContact CG2-CZ 3.96Å; T365-F386 HydrophobicContact CG2-CB 4.15Å
366F98.3Very high96.1Very high5 Ų539.8 Ų39.82%0.02223%0.232CC..  trans-51.2155.4178.779.4-40.7000113.2A193 M194 I195 N199 E324 G368 Y369 F380 F386A193-F366 HydrophobicContact CB-CD2 3.62Å; A193-F366 HydrophobicContact CB-CE2 4.22Å; A193-F366 HydrophobicContact CB-CG 4.47Å; M194-F366 WeakPolarHBondContact O-CB 3.32Å; I195-F366 HydrophobicContact CD1-CB 3.64Å; N199-F366 WeakPolarHBondContact OD1-CA 3.21Å; E324-F366 HydrophobicContact CB-CD1 3.62Å; E324-F366 HydrophobicContact CB-CD2 4.25Å; E324-F366 HydrophobicContact CB-CE1 3.71Å; E324-F366 HydrophobicContact CB-CE2 4.3Å; E324-F366 HydrophobicContact CB-CG 3.92Å; E324-F366 HydrophobicContact CB-CZ 4.05Å; E324-F366 HydrophobicContact CG-CD1 4.06Å; E324-F366 HydrophobicContact CG-CD2 3.91Å; E324-F366 HydrophobicContact CG-CE1 3.84Å; E324-F366 HydrophobicContact CG-CE2 3.65Å; E324-F366 HydrophobicContact CG-CG 4.11Å; E324-F366 HydrophobicContact CG-CZ 3.62Å; E324-F366 WeakPolarHBondContact O-CB 3.24Å; E324-F366 VanDerWaalsContact O-CD1 3.28Å; E324-F366 WeakPolarHBondContact O-CD1 3.5Å; E324-F366 PolarHBondContact O-N 3.36Å; F366-G368 VanDerWaalsContact C-N 3.27Å; F366-G368 VanDerWaalsContact CD2-O 3.25Å; F366-G368 WeakPolarHBondContact CD2-O 3.46Å; F366-G368 WeakPolarHBondContact CE2-O 3.48Å; F366-G368 PolarHBondContact O-N 2.95Å; F366-Y369 AromaticContact CE2-CD1 3.64Å; F366-Y369 HydrophobicContact CE2-CD1 3.64Å; F366-Y369 HydrophobicContact CE2-CD2 4.16Å; F366-Y369 AromaticContact CE2-CE1 3.5Å; F366-Y369 HydrophobicContact CE2-CE1 3.5Å; F366-Y369 HydrophobicContact CE2-CE2 4.05Å; F366-Y369 AromaticContact CE2-CG 3.97Å; F366-Y369 HydrophobicContact CE2-CG 3.97Å; F366-Y369 AromaticContact CE2-CZ 3.72Å; F366-Y369 HydrophobicContact CZ-CD1 4.41Å; F366-Y369 HydrophobicContact CZ-CD2 4.27Å; F366-Y369 HydrophobicContact CZ-CE1 4.01Å; F366-Y369 AromaticContact CZ-CE2 3.86Å; F366-Y369 HydrophobicContact CZ-CE2 3.86Å; F366-Y369 AromaticContact CZ-CZ 3.71Å; F366-F380 HydrophobicContact CD1-CZ 4.16Å; F366-F380 AromaticContact CE1-CE2 3.73Å; F366-F380 HydrophobicContact CE1-CE2 3.73Å; F366-F380 AromaticContact CE1-CZ 3.61Å; F366-F380 HydrophobicContact CE1-CZ 3.61Å; F366-F380 HydrophobicContact CZ-CE2 4.14Å; F366-F380 HydrophobicContact CZ-CZ 4.46Å; F366-F386 AromaticContact CE1-CD2 3.56Å; F366-F386 HydrophobicContact CE1-CD2 3.56Å; F366-F386 AromaticContact CE1-CE2 3.49Å; F366-F386 HydrophobicContact CE1-CE2 3.49Å; F366-F386 VanDerWaalsContact CE1-CE2 3.49Å; F366-F386 HydrophobicContact CE1-CG 4.16Å; F366-F386 HydrophobicContact CE1-CZ 4.04Å; F366-F386 HydrophobicContact CZ-CD2 4.06Å; F366-F386 AromaticContact CZ-CE2 3.55Å; F366-F386 HydrophobicContact CZ-CE2 3.55Å; F366-F386 HydrophobicContact CZ-CZ 4.1Å
367K97.6Very high96.6Very high110 Ų11045.8 Ų45.848%0.47825%0.247SC..  trans-69.3-25.5-179.8-170.4173.1-171.31710113.2D175 V177 M194 T196D175-K367 PolarHBondContact O-NZ 3.14Å; V177-K367 HydrophobicContact CG2-CD 4.31Å; M194-K367 HydrophobicContact CB-CB 4.2Å; M194-K367 HydrophobicContact CE-CG 4.49Å; M194-K367 PolarHBondContact O-N 2.92Å; T196-K367 HydrophobicContact CG2-CB 3.84Å; T196-K367 HydrophobicContact CG2-CD 3.95Å; T196-K367 HydrophobicContact CG2-CG 4.41Å
368G97.7Very high96.7Very high1 Ų153.2 Ų53.21%0.0127%0.272CS..EExtended strand (participates in β ladder)trans143.9-176-176.200000112.9M194 F366 T376M194-G368 WeakPolarHBondContact CB-O 3.31Å; M194-G368 PolarHBondContact N-O 2.7Å; F366-G368 VanDerWaalsContact C-N 3.27Å; F366-G368 VanDerWaalsContact CD2-O 3.25Å; F366-G368 WeakPolarHBondContact CD2-O 3.46Å; F366-G368 WeakPolarHBondContact CE2-O 3.48Å; F366-G368 PolarHBondContact O-N 2.95Å; G368-T376 VanDerWaalsContact CA-CG2 3.47Å
369Y97.1Very high96.7Very high4 Ų455 Ų552%0.01628%0.28CS..EExtended strand (participates in β ladder)trans-89.4128.8177.3-62.4-63.3000111.4T183 K191 G192 E324 F366 G371 Q372 K375 T376 E379T183-Y369 HydrophobicContact CG2-CE1 4.11Å; K191-Y369 HydrophobicContact CB-CD1 3.43Å; K191-Y369 VanDerWaalsContact CB-CD1 3.43Å; K191-Y369 HydrophobicContact CB-CE1 3.71Å; K191-Y369 HydrophobicContact CB-CG 4.11Å; K191-Y369 HydrophobicContact CD-CD1 4.05Å; K191-Y369 HydrophobicContact CD-CD2 4.25Å; K191-Y369 HydrophobicContact CD-CE1 3.89Å; K191-Y369 HydrophobicContact CD-CE2 4.08Å; K191-Y369 HydrophobicContact CD-CG 4.23Å; K191-Y369 HydrophobicContact CG-CD1 4.31Å; K191-Y369 HydrophobicContact CG-CE1 4.43Å; K191-Y369 PolarHBondContact NZ-OH 2.99Å; G192-Y369 CarbonylContact O-C 3.6Å; G192-Y369 WeakPolarHBondContact O-CA 3.29Å; E324-Y369 HydrophobicContact CG-CE1 3.99Å; E324-Y369 PolarHBondContact OE1-OH 3.28Å; F366-Y369 AromaticContact CE2-CD1 3.64Å; F366-Y369 HydrophobicContact CE2-CD1 3.64Å; F366-Y369 HydrophobicContact CE2-CD2 4.16Å; F366-Y369 AromaticContact CE2-CE1 3.5Å; F366-Y369 HydrophobicContact CE2-CE1 3.5Å; F366-Y369 HydrophobicContact CE2-CE2 4.05Å; F366-Y369 AromaticContact CE2-CG 3.97Å; F366-Y369 HydrophobicContact CE2-CG 3.97Å; F366-Y369 AromaticContact CE2-CZ 3.72Å; F366-Y369 HydrophobicContact CZ-CD1 4.41Å; F366-Y369 HydrophobicContact CZ-CD2 4.27Å; F366-Y369 HydrophobicContact CZ-CE1 4.01Å; F366-Y369 AromaticContact CZ-CE2 3.86Å; F366-Y369 HydrophobicContact CZ-CE2 3.86Å; F366-Y369 AromaticContact CZ-CZ 3.71Å; Y369-G371 PolarHBondContact O-N 2.64Å; Y369-Q372 PolarHBondContact O-N 2.61Å; Y369-Q372 VanDerWaalsContact O-N 3.09Å; Y369-K375 HydrophobicContact CD2-CG 4.35Å; Y369-T376 PolarHBondContact N-OG1 3.26Å; Y369-E379 HydrophobicContact CE2-CG 4.08Å
370W96.9Very high96.6Very high68 Ų6856.8 Ų56.826%0.25829%0.288SS..THydrogen-bonded Turntrans-53.6129.6177.6179.2-105.1000111.1D122 I180 G192 M194 Q372D122-W370 PolarHBondContact O-NE1 3.46Å; I180-W370 HydrophobicContact CD1-CB 4.37Å; I180-W370 HydrophobicContact CD1-CD2 3.69Å; I180-W370 HydrophobicContact CD1-CE3 3.7Å; I180-W370 HydrophobicContact CD1-CG 3.98Å; I180-W370 HydrophobicContact CD1-CZ3 4.26Å; I180-W370 HydrophobicContact CG2-CB 4.46Å; G192-W370 PolarHBondContact O-N 2.99Å; M194-W370 HydrophobicContact CG-CB 4.13Å; M194-W370 HydrophobicContact CG-CE3 4.15Å; M194-W370 HydrophobicContact SD-CE3 3.71Å; M194-W370 HydrophobicContact SD-CZ3 4.39Å; W370-Q372 WeakPolarHBondContact O-CG 3.16Å; W370-Q372 PolarHBondContact O-N 2.81Å
371G95.3Very high96.6Very high75 Ų7558.3 Ų58.377%0.77330%0.298SS*.THydrogen-bonded Turntrans63.95.3-179.500000115.8Y369Y369-G371 PolarHBondContact O-N 2.64Å
372Q94.7Very high96.4Very high50 Ų5065 Ų6523%0.23433%0.329CS..  trans-129.359-169.5-65.5-178.249.300112Y369 W370 E374 K375 T376Y369-Q372 PolarHBondContact O-N 2.61Å; Y369-Q372 VanDerWaalsContact O-N 3.09Å; W370-Q372 WeakPolarHBondContact O-CG 3.16Å; W370-Q372 PolarHBondContact O-N 2.81Å; Q372-E374 PolarHBondContact O-N 3.15Å; Q372-K375 HydrophobicContact CB-CB 4.05Å; Q372-K375 PolarHBondContact O-N 2.87Å; Q372-T376 WeakPolarHBondContact O-CB 3.38Å; Q372-T376 PolarHBondContact O-N 2.96Å; Q372-T376 PolarHBondContact O-OG1 2.97Å
373A96.2Very high96.4Very high80 Ų8067.3 Ų67.366%0.66134%0.337SS*.Hα-helixtrans-59.9-44.9-17700000113.4T376 R377A373-T376 WeakPolarHBondContact O-CB 3.44Å; A373-T376 PolarHBondContact O-N 2.95Å; A373-R377 PolarHBondContact O-N 3.29Å
374E95.6Very high96.3Very high84 Ų8465.6 Ų65.639%0.39333%0.331SS..Hα-helixtrans-67.3-38.8-180175.156.4-166.300112Q372 R377 R378Q372-E374 PolarHBondContact O-N 3.15Å; E374-R377 VanDerWaalsContact CD-NH2 3.25Å; E374-R377 PolarHBondContact O-N 3.14Å; E374-R377 IonicContact OE1-CZ 3.68Å; E374-R377 IonicContact OE1-NE 3.91Å; E374-R377 IonicContact OE1-NH2 2.69Å; E374-R377 PolarHBondContact OE1-NH2 2.8Å; E374-R377 IonicContact OE2-CZ 3.37Å; E374-R377 IonicContact OE2-NE 2.82Å; E374-R377 PolarHBondContact OE2-NE 3.31Å; E374-R377 IonicContact OE2-NH2 3.08Å; E374-R377 PolarHBondContact OE2-NH2 2.91Å; E374-R377 VanDerWaalsContact OE2-NH2 3.08Å; E374-R378 WeakPolarHBondContact O-CG 3.29Å; E374-R378 PolarHBondContact O-N 2.94Å; E374-R378 VanDerWaalsContact O-N 3.17Å; E374-R378 IonicContact OE1-CZ 2.85Å; E374-R378 IonicContact OE1-NE 2.77Å; E374-R378 PolarHBondContact OE1-NE 3.44Å; E374-R378 IonicContact OE1-NH2 3.32Å; E374-R378 PolarHBondContact OE1-NH2 2.84Å
375K92.4Very high96.4Very high83 Ų8366.1 Ų66.136%0.36133%0.333SS..Hα-helixtrans-63-47.5172.9-172.4170.2-166.3147.90110.8K191 Y369 Q372 R377 R378 E379K191-K375 HydrophobicContact CD-CD 3.87Å; K191-K375 VanDerWaalsContact CD-CE 3.48Å; Y369-K375 HydrophobicContact CD2-CG 4.35Å; Q372-K375 HydrophobicContact CB-CB 4.05Å; Q372-K375 PolarHBondContact O-N 2.87Å; K375-R377 VanDerWaalsContact C-N 3.31Å; K375-R377 PolarHBondContact O-N 3.06Å; K375-R378 PolarHBondContact O-N 3.47Å; K375-R378 VanDerWaalsContact O-N 3.1Å; K375-E379 HydrophobicContact CG-CG 4.33Å; K375-E379 WeakPolarHBondContact O-CG 3.28Å; K375-E379 PolarHBondContact O-N 3.45Å
376T95.9Very high96.4Very high20 Ų2065.5 Ų65.512%0.12333%0.329CS..Hα-helixtrans-51.9-53175.7-58.70000110G368 Y369 Q372 A373 R378 E379 F380G368-T376 VanDerWaalsContact CA-CG2 3.47Å; Y369-T376 PolarHBondContact N-OG1 3.26Å; Q372-T376 WeakPolarHBondContact O-CB 3.38Å; Q372-T376 PolarHBondContact O-N 2.96Å; Q372-T376 PolarHBondContact O-OG1 2.97Å; A373-T376 WeakPolarHBondContact O-CB 3.44Å; A373-T376 PolarHBondContact O-N 2.95Å; T376-R378 PolarHBondContact O-N 2.99Å; T376-R378 VanDerWaalsContact O-N 3.16Å; T376-E379 PolarHBondContact O-N 3.42Å; T376-F380 HydrophobicContact CG2-CD2 4.18Å; T376-F380 HydrophobicContact CG2-CE2 4Å; T376-F380 WeakPolarHBondContact O-CD2 3.36Å; T376-F380 PolarHBondContact O-N 2.64Å
377R96.7Very high96.3Very high150 Ų15067.4 Ų67.457%0.56634%0.339SS*.Hα-helixtrans-56.6-34.5-179.9-167.9-168.562.872.2-2113.7A373 E374 K375A373-R377 PolarHBondContact O-N 3.29Å; E374-R377 VanDerWaalsContact CD-NH2 3.25Å; E374-R377 PolarHBondContact O-N 3.14Å; E374-R377 IonicContact OE1-CZ 3.68Å; E374-R377 IonicContact OE1-NE 3.91Å; E374-R377 IonicContact OE1-NH2 2.69Å; E374-R377 PolarHBondContact OE1-NH2 2.8Å; E374-R377 IonicContact OE2-CZ 3.37Å; E374-R377 IonicContact OE2-NE 2.82Å; E374-R377 PolarHBondContact OE2-NE 3.31Å; E374-R377 IonicContact OE2-NH2 3.08Å; E374-R377 PolarHBondContact OE2-NH2 2.91Å; E374-R377 VanDerWaalsContact OE2-NH2 3.08Å; K375-R377 VanDerWaalsContact C-N 3.31Å; K375-R377 PolarHBondContact O-N 3.06Å
378R95.1Very high96.1Very high180 Ų18062.2 Ų62.268%0.67932%0.317SS*.Hα-helixtrans-74.2-26.8178.9-70.7176.9-172.1-160.91.6113.8E374 K375 T376 F380E374-R378 WeakPolarHBondContact O-CG 3.29Å; E374-R378 PolarHBondContact O-N 2.94Å; E374-R378 VanDerWaalsContact O-N 3.17Å; E374-R378 IonicContact OE1-CZ 2.85Å; E374-R378 IonicContact OE1-NE 2.77Å; E374-R378 PolarHBondContact OE1-NE 3.44Å; E374-R378 IonicContact OE1-NH2 3.32Å; E374-R378 PolarHBondContact OE1-NH2 2.84Å; K375-R378 PolarHBondContact O-N 3.47Å; K375-R378 VanDerWaalsContact O-N 3.1Å; T376-R378 PolarHBondContact O-N 2.99Å; T376-R378 VanDerWaalsContact O-N 3.16Å; R378-F380 VanDerWaalsContact C-N 3.3Å
379E95.1Very high95.7Very high37 Ų3764 Ų6417%0.17333%0.33CS..Hα-helixtrans-85.6-9.9-177-57.7-88-15500111.5K191 Y369 K375 T376 F386 N387K191-E379 IonicContact NZ-OE1 2.91Å; Y369-E379 HydrophobicContact CE2-CG 4.08Å; K375-E379 HydrophobicContact CG-CG 4.33Å; K375-E379 WeakPolarHBondContact O-CG 3.28Å; K375-E379 PolarHBondContact O-N 3.45Å; T376-E379 PolarHBondContact O-N 3.42Å; E379-F386 HydrophobicContact CB-CD2 4.2Å; E379-F386 HydrophobicContact CB-CE2 3.8Å; E379-N387 WeakPolarHBondContact O-CB 3.49Å; E379-N387 PolarHBondContact O-N 2.81Å
380F97.8Very high95.3Very high52 Ų5264.6 Ų64.623%0.22833%0.333CS..BIsolated β-bridgetrans-105.3137.4171.9-73.4-96.5000111.2T365 F366 T376 R378 F385 F386T365-F380 HydrophobicContact CG2-CE1 3.93Å; T365-F380 HydrophobicContact CG2-CZ 3.96Å; F366-F380 HydrophobicContact CD1-CZ 4.16Å; F366-F380 AromaticContact CE1-CE2 3.73Å; F366-F380 HydrophobicContact CE1-CE2 3.73Å; F366-F380 AromaticContact CE1-CZ 3.61Å; F366-F380 HydrophobicContact CE1-CZ 3.61Å; F366-F380 HydrophobicContact CZ-CE2 4.14Å; F366-F380 HydrophobicContact CZ-CZ 4.46Å; T376-F380 HydrophobicContact CG2-CD2 4.18Å; T376-F380 HydrophobicContact CG2-CE2 4Å; T376-F380 WeakPolarHBondContact O-CD2 3.36Å; T376-F380 PolarHBondContact O-N 2.64Å; R378-F380 VanDerWaalsContact C-N 3.3Å; F380-F385 WeakPolarHBondContact CA-O 3.32Å; F380-F386 HydrophobicContact CD1-CB 4.02Å; F380-F386 HydrophobicContact CD2-CD2 4.1Å; F380-F386 HydrophobicContact CE1-CB 3.64Å; F380-F386 HydrophobicContact CE1-CD2 4.23Å; F380-F386 HydrophobicContact CE1-CG 4.39Å; F380-F386 AromaticContact CE2-CD2 3.7Å; F380-F386 HydrophobicContact CE2-CD2 3.7Å; F380-F386 HydrophobicContact CE2-CE2 4.42Å; F380-F386 HydrophobicContact CZ-CB 3.99Å; F380-F386 AromaticContact CZ-CD2 3.78Å; F380-F386 HydrophobicContact CZ-CD2 3.78Å; F380-F386 HydrophobicContact CZ-CG 4.26Å
381T96.9Very high94.8Very high33 Ų3361.5 Ų61.520%0.20232%0.322CS..  trans-69.7162.1168.855.30000111D383 G384 F385T381-D383 VanDerWaalsContact CB-OD1 3.28Å; T381-D383 WeakPolarHBondContact CB-OD1 3.35Å; T381-D383 PolarHBondContact O-N 3.23Å; T381-D383 PolarHBondContact OG1-OD1 3.26Å; T381-G384 PolarHBondContact O-N 3.1Å; T381-F385 PolarHBondContact N-O 3.09Å; T381-F385 WeakPolarHBondContact OG1-CA 3.48Å; T381-F385 WeakPolarHBondContact OG1-CB 3.22Å; T381-F385 PolarHBondContact OG1-N 3.23Å; T381-F385 PolarHBondContact OG1-O 2.91Å
382K95.3Very high94.6Very high229 Ų22958.1 Ų58.1100%0.99629%0.286SS*.THydrogen-bonded Turntrans-59-29.3179.2-70.6-175.7178179.50113.1G384K382-G384 VanDerWaalsContact C-N 3.31Å
383D96.2Very high94.4Very high70 Ų7058 Ų5837%0.37429%0.29SS..THydrogen-bonded Turntrans-91.513.2175.860.9-39.4000113.1R354 R361 T381 F385R354-D383 IonicContact CZ-OD1 3.63Å; R354-D383 IonicContact CZ-OD2 2.64Å; R354-D383 IonicContact NH1-OD1 2.69Å; R354-D383 PolarHBondContact NH1-OD1 3.09Å; R354-D383 IonicContact NH1-OD2 2.65Å; R354-D383 PolarHBondContact NH1-OD2 3.01Å; R354-D383 IonicContact NH2-OD1 2.63Å; R354-D383 PolarHBondContact NH2-OD1 3.1Å; R354-D383 IonicContact NH2-OD2 3.19Å; R354-D383 PolarHBondContact NH2-OD2 3.1Å; R361-D383 PolarHBondContact NH1-O 3.13Å; T381-D383 VanDerWaalsContact CB-OD1 3.28Å; T381-D383 WeakPolarHBondContact CB-OD1 3.35Å; T381-D383 PolarHBondContact O-N 3.23Å; T381-D383 PolarHBondContact OG1-OD1 3.26Å; D383-F385 WeakPolarHBondContact OD2-CD2 3.23Å; D383-F385 WeakPolarHBondContact OD2-CE2 3.25Å
384G96.5Very high94.3Very high28 Ų2857.8 Ų57.829%0.28928%0.278SS..SBendtrans83.110166.600000115.8R361 T381 K382R361-G384 WeakPolarHBondContact CD-O 3.28Å; R361-G384 WeakPolarHBondContact CG-O 3.28Å; T381-G384 PolarHBondContact O-N 3.1Å; K382-G384 VanDerWaalsContact C-N 3.31Å
385F98.4Very high94.2Very high14 Ų1456.5 Ų56.56%0.06127%0.273CS..  trans-77.8132.7168.3-70.3-105.6000110.9E350 H359 Y360 R361 F380 T381 D383E350-F385 HydrophobicContact CB-CE1 3.8Å; E350-F385 HydrophobicContact CB-CZ 3.92Å; H359-F385 HydrophobicContact CB-CB 3.94Å; H359-F385 HydrophobicContact CB-CD1 4.21Å; H359-F385 HydrophobicContact CB-CG 4.43Å; Y360-F385 CarbonylContact O-C 3.49Å; Y360-F385 WeakPolarHBondContact O-CA 3.33Å; R361-F385 HydrophobicContact CB-CD1 3.97Å; R361-F385 HydrophobicContact CB-CD2 4.5Å; R361-F385 HydrophobicContact CB-CE1 4.18Å; R361-F385 HydrophobicContact CB-CG 4.12Å; F380-F385 WeakPolarHBondContact CA-O 3.32Å; T381-F385 PolarHBondContact N-O 3.09Å; T381-F385 WeakPolarHBondContact OG1-CA 3.48Å; T381-F385 WeakPolarHBondContact OG1-CB 3.22Å; T381-F385 PolarHBondContact OG1-N 3.23Å; T381-F385 PolarHBondContact OG1-O 2.91Å; D383-F385 WeakPolarHBondContact OD2-CD2 3.23Å; D383-F385 WeakPolarHBondContact OD2-CE2 3.25Å
386F98.3Very high94.2Very high2 Ų258.7 Ų58.71%0.00930%0.299CS..EExtended strand (participates in β ladder)trans-75.8135.8169.5-179.9-108.5000110.8M322 E324 H359 Y360 T365 F366 E379 F380M322-F386 HydrophobicContact CE-CE1 3.95Å; M322-F386 HydrophobicContact SD-CE1 4.03Å; E324-F386 HydrophobicContact CB-CD1 4.4Å; E324-F386 HydrophobicContact CB-CE1 3.74Å; E324-F386 HydrophobicContact CB-CZ 3.85Å; E324-F386 HydrophobicContact CG-CE1 4.13Å; E324-F386 HydrophobicContact CG-CE2 4.47Å; E324-F386 HydrophobicContact CG-CZ 3.75Å; H359-F386 WeakPolarHBondContact CA-O 3.42Å; Y360-F386 AromaticContact CE1-CD1 3.83Å; Y360-F386 HydrophobicContact CE1-CD1 3.83Å; Y360-F386 HydrophobicContact CE1-CE1 4.44Å; Y360-F386 HydrophobicContact CE2-CB 4.34Å; Y360-F386 HydrophobicContact CE2-CD1 4.03Å; Y360-F386 AromaticContact CZ-CD1 3.46Å; Y360-F386 VanDerWaalsContact CZ-CD1 3.46Å; Y360-F386 PolarHBondContact N-O 3.26Å; Y360-F386 VanDerWaalsContact N-O 3.08Å; Y360-F386 PolarHBondContact O-N 2.89Å; Y360-F386 VanDerWaalsContact OH-CD1 3.29Å; Y360-F386 WeakPolarHBondContact OH-CD1 3.46Å; Y360-F386 WeakPolarHBondContact OH-CE1 3.37Å; T365-F386 HydrophobicContact CG2-CB 4.15Å; F366-F386 AromaticContact CE1-CD2 3.56Å; F366-F386 HydrophobicContact CE1-CD2 3.56Å; F366-F386 AromaticContact CE1-CE2 3.49Å; F366-F386 HydrophobicContact CE1-CE2 3.49Å; F366-F386 VanDerWaalsContact CE1-CE2 3.49Å; F366-F386 HydrophobicContact CE1-CG 4.16Å; F366-F386 HydrophobicContact CE1-CZ 4.04Å; F366-F386 HydrophobicContact CZ-CD2 4.06Å; F366-F386 AromaticContact CZ-CE2 3.55Å; F366-F386 HydrophobicContact CZ-CE2 3.55Å; F366-F386 HydrophobicContact CZ-CZ 4.1Å; E379-F386 HydrophobicContact CB-CD2 4.2Å; E379-F386 HydrophobicContact CB-CE2 3.8Å; F380-F386 HydrophobicContact CD1-CB 4.02Å; F380-F386 HydrophobicContact CD2-CD2 4.1Å; F380-F386 HydrophobicContact CE1-CB 3.64Å; F380-F386 HydrophobicContact CE1-CD2 4.23Å; F380-F386 HydrophobicContact CE1-CG 4.39Å; F380-F386 AromaticContact CE2-CD2 3.7Å; F380-F386 HydrophobicContact CE2-CD2 3.7Å; F380-F386 HydrophobicContact CE2-CE2 4.42Å; F380-F386 HydrophobicContact CZ-CB 3.99Å; F380-F386 AromaticContact CZ-CD2 3.78Å; F380-F386 HydrophobicContact CZ-CD2 3.78Å; F380-F386 HydrophobicContact CZ-CG 4.26Å
387N96.1Very high94.1Very high45 Ų4563 Ų6324%0.24132%0.318CS..EExtended strand (participates in β ladder)trans-84.9110.2173.1-179.4-6.2000110.1V357 E379 S389V357-N387 VanDerWaalsContact CG1-OD1 3.26Å; V357-N387 WeakPolarHBondContact CG1-OD1 3.42Å; E379-N387 WeakPolarHBondContact O-CB 3.49Å; E379-N387 PolarHBondContact O-N 2.81Å; N387-S389 VanDerWaalsContact C-N 3.25Å; N387-S389 PolarHBondContact O-N 2.77Å; N387-S389 PolarHBondContact OD1-N 2.71Å
388S93.4Very high94Very high2 Ų257.2 Ų57.21%0.01431%0.305CS..EExtended strand (participates in β ladder)trans-75.6-15.2-17978.10000113.9Y320 L358 D390 R405Y320-S388 WeakPolarHBondContact OH-CB 3.39Å; Y320-S388 PolarHBondContact OH-OG 3.19Å; L358-S388 WeakPolarHBondContact O-CB 3.49Å; L358-S388 PolarHBondContact O-N 2.63Å; L358-S388 VanDerWaalsContact O-N 3.12Å; L358-S388 PolarHBondContact O-OG 2.81Å; S388-D390 PolarHBondContact O-N 2.76Å; S388-D390 WeakPolarHBondContact OG-CB 3.47Å; S388-D390 PolarHBondContact OG-N 3.06Å; S388-R405 PolarHBondContact O-NH1 3.24Å
389S89.5Confident94.1Very high39 Ų3949.6 Ų49.627%0.27328%0.276SS..EExtended strand (participates in β ladder)trans58.213.6-167.5-570000114.6N387 S406N387-S389 VanDerWaalsContact C-N 3.25Å; N387-S389 PolarHBondContact O-N 2.77Å; N387-S389 PolarHBondContact OD1-N 2.71Å; S389-S406 WeakPolarHBondContact O-CB 3.33Å; S389-S406 PolarHBondContact O-N 3.16Å; S389-S406 PolarHBondContact O-OG 2.71Å; S389-S406 VanDerWaalsContact O-OG 3.06Å
390D89.3Confident94.2Very high15 Ų1547.8 Ų47.88%0.0827%0.268CS..EExtended strand (participates in β ladder)trans-95131.1173.6-64.8-29.7000109.5Y320 L358 S388 I402 G404 R405Y320-D390 VanDerWaalsContact CE2-OD2 3.26Å; Y320-D390 WeakPolarHBondContact CE2-OD2 3.4Å; Y320-D390 VanDerWaalsContact CZ-OD2 3.3Å; Y320-D390 PolarHBondContact OH-OD2 3.03Å; L358-D390 PolarHBondContact N-O 2.83Å; S388-D390 PolarHBondContact O-N 2.76Å; S388-D390 WeakPolarHBondContact OG-CB 3.47Å; S388-D390 PolarHBondContact OG-N 3.06Å; D390-I402 HydrophobicContact CB-CG2 4.46Å; D390-G404 CarbonylContact C-O 3.52Å; D390-G404 WeakPolarHBondContact CA-O 3.49Å; D390-R405 VanDerWaalsContact OD1-CD 3.24Å; D390-R405 WeakPolarHBondContact OD1-CD 3.38Å; D390-R405 IonicContact OD1-CZ 2.76Å; D390-R405 IonicContact OD1-NE 3.18Å; D390-R405 IonicContact OD1-NH1 3.61Å; D390-R405 PolarHBondContact OD1-NH1 3.39Å; D390-R405 IonicContact OD2-NH1 2.71Å
391V87Confident93.9Very high4 Ų449.3 Ų49.32%0.02428%0.275CS..EExtended strand (participates in β ladder)trans-76131.8174-178.20000107.8G356 L403 G404 Y418G356-V391 VanDerWaalsContact O-CA 3.3Å; G356-V391 WeakPolarHBondContact O-CA 3.34Å; G356-V391 WeakPolarHBondContact O-CG1 3.38Å; V391-L403 HydrophobicContact CB-CB 4.28Å; V391-L403 HydrophobicContact CG1-CB 3.93Å; V391-L403 HydrophobicContact CG1-CD1 4.22Å; V391-L403 PolarHBondContact O-N 3.1Å; V391-G404 PolarHBondContact N-O 3.22Å; V391-Y418 HydrophobicContact CB-CD1 4.11Å; V391-Y418 HydrophobicContact CB-CE1 4.08Å; V391-Y418 HydrophobicContact CG1-CD1 3.61Å; V391-Y418 HydrophobicContact CG1-CE1 3.37Å; V391-Y418 HydrophobicContact CG1-CG 4.32Å; V391-Y418 HydrophobicContact CG2-CD1 3.93Å; V391-Y418 HydrophobicContact CG2-CE1 3.7Å
392A91.5Very high93.4Very high3 Ų349.3 Ų49.33%0.02527%0.274CS..EExtended strand (participates in β ladder)trans-150.3161.3179.400000112.1I353 G356 L358 V400 Q401 I402I353-A392 HydrophobicContact CD1-CB 3.79Å; I353-A392 VanDerWaalsContact CG2-O 3.31Å; I353-A392 WeakPolarHBondContact CG2-O 3.37Å; G356-A392 PolarHBondContact O-N 3.32Å; L358-A392 HydrophobicContact CB-CB 3.93Å; A392-V400 HydrophobicContact CB-CG1 4.13Å; A392-Q401 CarbonylContact C-O 3.55Å; A392-Q401 WeakPolarHBondContact CA-O 3.36Å; A392-Q401 WeakPolarHBondContact CB-O 3.37Å; A392-I402 HydrophobicContact CB-CD1 3.92Å
393C90.2Very high92.6Very high47 Ų4739.9 Ų39.932%0.31823%0.234SC..EExtended strand (participates in β ladder)trans-129.2162.3167.361.90000110.5V400 Q401 L403C393-V400 WeakPolarHBondContact O-CA 3.34Å; C393-Q401 PolarHBondContact N-O 3.37Å; C393-Q401 PolarHBondContact O-N 3.48Å; C393-L403 HydrophobicContact CB-CD1 4.39Å
394L94.3Very high91.5Very high77 Ų7737.2 Ų37.240%0.40322%0.223SC..EExtended strand (participates in β ladder)trans-109.9136.5170.6-74.1163.7000108.3V351 I353 G398 Y399 V400V351-L394 HydrophobicContact CG2-CD2 4.49Å; I353-L394 HydrophobicContact CG1-CD1 4.01Å; I353-L394 HydrophobicContact CG1-CG 4.03Å; L394-G398 WeakPolarHBondContact CD2-O 3.41Å; L394-Y399 WeakPolarHBondContact CA-O 3.44Å; L394-V400 HydrophobicContact CD2-CB 4.42Å; L394-V400 HydrophobicContact CD2-CG2 3.43Å; L394-V400 VanDerWaalsContact CD2-CG2 3.43Å; L394-V400 HydrophobicContact CG-CG2 4.47Å
395D91.5Very high90.3Very high57 Ų5738.4 Ų38.431%0.30522%0.219SC..  trans-83.3176.1166.375.515.3000112.2K338 E397 G398 Y399K338-D395 IonicContact NZ-OD1 2.8Å; K338-D395 IonicContact NZ-OD2 3.58Å; K338-D395 PolarHBondContact NZ-OD2 3.49Å; D395-E397 PolarHBondContact O-N 2.81Å; D395-E397 VanDerWaalsContact O-N 3.15Å; D395-E397 WeakPolarHBondContact OD1-CA 3.39Å; D395-E397 PolarHBondContact OD1-N 2.79Å; D395-G398 PolarHBondContact O-N 2.89Å; D395-G398 PolarHBondContact OD1-N 3.48Å; D395-Y399 PolarHBondContact N-O 2.98Å; D395-Y399 PolarHBondContact OD1-N 3.4Å
396S94Very high88.4Confident128 Ų12839.7 Ų39.790%0.89523%0.23SC*.THydrogen-bonded Turntrans-63.2-17.3-179.357.80000114.3
397E93.8Very high86.8Confident111 Ų11142.2 Ų42.252%0.51925%0.248SC..THydrogen-bonded Turntrans-98.33.4177-63.3179.374.300111.9K338 D395 Y399K338-E397 WeakPolarHBondContact CE-OE2 3.37Å; K338-E397 IonicContact NZ-OE1 2.85Å; K338-E397 IonicContact NZ-OE2 3.78Å; K338-E397 PolarHBondContact NZ-OE2 3.37Å; D395-E397 PolarHBondContact O-N 2.81Å; D395-E397 VanDerWaalsContact O-N 3.15Å; D395-E397 WeakPolarHBondContact OD1-CA 3.39Å; D395-E397 PolarHBondContact OD1-N 2.79Å; E397-Y399 HydrophobicContact CB-CD2 3.85Å; E397-Y399 HydrophobicContact CB-CE2 4.05Å
398G94.5Very high85.7Confident28 Ų2841.4 Ų41.429%0.28924%0.243SC..  trans82.111.8178.300000114.8L394 D395L394-G398 WeakPolarHBondContact CD2-O 3.41Å; D395-G398 PolarHBondContact O-N 2.89Å; D395-G398 PolarHBondContact OD1-N 3.48Å
399Y97.2Very high84.9Confident20 Ų2043.6 Ų43.68%0.07825%0.254CS..  trans-74.7132.4174.5-72.9-112.1000109.8K336 K338 T341 I344 L394 D395 E397K336-Y399 PolarHBondContact O-OH 3.39Å; K338-Y399 HydrophobicContact CB-CD1 3.87Å; K338-Y399 HydrophobicContact CB-CE1 3.97Å; K338-Y399 HydrophobicContact CD-CD1 3.74Å; K338-Y399 HydrophobicContact CD-CD2 3.82Å; K338-Y399 HydrophobicContact CD-CE1 3.96Å; K338-Y399 HydrophobicContact CD-CE2 4.05Å; K338-Y399 HydrophobicContact CD-CG 3.68Å; K338-Y399 HydrophobicContact CG-CD1 3.91Å; K338-Y399 HydrophobicContact CG-CE1 3.76Å; K338-Y399 HydrophobicContact CG-CE2 4.5Å; K338-Y399 HydrophobicContact CG-CG 4.36Å; T341-Y399 WeakPolarHBondContact OG1-CD1 2.67Å; I344-Y399 HydrophobicContact CG2-CD1 4.37Å; I344-Y399 HydrophobicContact CG2-CD2 3.96Å; I344-Y399 HydrophobicContact CG2-CE2 4.09Å; I344-Y399 HydrophobicContact CG2-CG 4.09Å; L394-Y399 WeakPolarHBondContact CA-O 3.44Å; D395-Y399 PolarHBondContact N-O 2.98Å; D395-Y399 PolarHBondContact OD1-N 3.4Å; E397-Y399 HydrophobicContact CB-CD2 3.85Å; E397-Y399 HydrophobicContact CB-CE2 4.05Å
400V96.2Very high84.3Confident0 Ų041.7 Ų41.70%024%0.241CC..EExtended strand (participates in β ladder)trans-85.5130.4176.2178.20000109.1T341 V342 G343 V351 L358 A392 C393 L394 I402T341-V400 WeakPolarHBondContact CA-O 3.49Å; T341-V400 WeakPolarHBondContact CB-O 3.43Å; V342-V400 HydrophobicContact CG2-CB 3.78Å; V342-V400 HydrophobicContact CG2-CG1 3.76Å; V342-V400 VanDerWaalsContact CG2-O 3.25Å; V342-V400 WeakPolarHBondContact CG2-O 3.5Å; V342-V400 PolarHBondContact N-O 3.48Å; G343-V400 PolarHBondContact O-N 3.22Å; V351-V400 HydrophobicContact CG2-CG2 4.47Å; L358-V400 HydrophobicContact CD2-CG1 4.5Å; A392-V400 HydrophobicContact CB-CG1 4.13Å; C393-V400 WeakPolarHBondContact O-CA 3.34Å; L394-V400 HydrophobicContact CD2-CB 4.42Å; L394-V400 HydrophobicContact CD2-CG2 3.43Å; L394-V400 VanDerWaalsContact CD2-CG2 3.43Å; L394-V400 HydrophobicContact CG-CG2 4.47Å; V400-I402 HydrophobicContact CG1-CD1 3.86Å
401Q91.4Very high83.4Confident83 Ų8344.9 Ų44.939%0.38826%0.257SS..EExtended strand (participates in β ladder)trans-113129.8167178.4173.819.500109.3G340 A392 C393 L403G340-Q401 WeakPolarHBondContact O-CG 3.28Å; A392-Q401 CarbonylContact C-O 3.55Å; A392-Q401 WeakPolarHBondContact CA-O 3.36Å; A392-Q401 WeakPolarHBondContact CB-O 3.37Å; C393-Q401 PolarHBondContact N-O 3.37Å; C393-Q401 PolarHBondContact O-N 3.48Å; Q401-L403 HydrophobicContact CG-CD2 3.88Å
402I86.8Confident82.7Confident34 Ų3445 Ų4517%0.17426%0.257CS..EExtended strand (participates in β ladder)trans-91.9119.1176.3-54.1-59.5000109.1Y320 V342 L358 D390 A392 V400Y320-I402 HydrophobicContact CD2-CD1 3.82Å; Y320-I402 HydrophobicContact CD2-CG1 3.78Å; Y320-I402 HydrophobicContact CE2-CD1 3.91Å; Y320-I402 HydrophobicContact CE2-CG1 4.18Å; Y320-I402 HydrophobicContact CG-CD1 4.16Å; Y320-I402 HydrophobicContact CG-CG1 4.32Å; V342-I402 HydrophobicContact CG1-CG1 3.93Å; V342-I402 HydrophobicContact CG2-CD1 4.28Å; V342-I402 HydrophobicContact CG2-CG1 3.96Å; L358-I402 HydrophobicContact CD2-CD1 3.94Å; D390-I402 HydrophobicContact CB-CG2 4.46Å; A392-I402 HydrophobicContact CB-CD1 3.92Å; V400-I402 HydrophobicContact CG1-CD1 3.86Å
403L79.1Confident81.7Confident31 Ų3147.2 Ų47.216%0.16228%0.281CS..EExtended strand (participates in β ladder)trans-98.54.7-176.9-56176.6000112.9V391 C393 Q401 K420V391-L403 HydrophobicContact CB-CB 4.28Å; V391-L403 HydrophobicContact CG1-CB 3.93Å; V391-L403 HydrophobicContact CG1-CD1 4.22Å; V391-L403 PolarHBondContact O-N 3.1Å; C393-L403 HydrophobicContact CB-CD1 4.39Å; Q401-L403 HydrophobicContact CG-CD2 3.88Å; L403-K420 VanDerWaalsContact O-CB 3.24Å; L403-K420 WeakPolarHBondContact O-CB 3.17Å
404G73.7Confident80.4Confident14 Ų1448 Ų4814%0.14430%0.298CS..EExtended strand (participates in β ladder)trans123.1-161.617600000112.9D390 V391D390-G404 CarbonylContact C-O 3.52Å; D390-G404 WeakPolarHBondContact CA-O 3.49Å; V391-G404 PolarHBondContact N-O 3.22Å
405R70Confident79.2Confident52 Ų5248.3 Ų48.320%0.19630%0.299CS..EExtended strand (participates in β ladder)trans-95141.7176.5-77.5-84.6-164-16117.2109.8S388 D390 S407 D408 M409S388-R405 PolarHBondContact O-NH1 3.24Å; D390-R405 VanDerWaalsContact OD1-CD 3.24Å; D390-R405 WeakPolarHBondContact OD1-CD 3.38Å; D390-R405 IonicContact OD1-CZ 2.76Å; D390-R405 IonicContact OD1-NE 3.18Å; D390-R405 IonicContact OD1-NH1 3.61Å; D390-R405 PolarHBondContact OD1-NH1 3.39Å; D390-R405 IonicContact OD2-NH1 2.71Å; R405-S407 PolarHBondContact O-N 2.93Å; R405-D408 HydrophobicContact CB-CB 4.08Å; R405-D408 PolarHBondContact O-N 2.76Å; R405-M409 PolarHBondContact O-N 3.21Å
406S59.5Low78.3Confident42 Ų4248.7 Ų48.729%0.29430%0.301SS..G310 helixtrans-59.8-35.1171.461.70000111.5S389 D408 M409S389-S406 WeakPolarHBondContact O-CB 3.33Å; S389-S406 PolarHBondContact O-N 3.16Å; S389-S406 PolarHBondContact O-OG 2.71Å; S389-S406 VanDerWaalsContact O-OG 3.06Å; S406-D408 PolarHBondContact O-N 3.19Å; S406-M409 WeakPolarHBondContact O-CB 3.45Å; S406-M409 PolarHBondContact O-N 3.33Å
407S64.5Low77.3Confident54 Ų5442.6 Ų42.638%0.37826%0.258SS..G310 helixtrans-69.2-14.6175.165.80000114.6R405R405-S407 PolarHBondContact O-N 2.93Å
408D72.5Confident76.6Confident28 Ų2839.6 Ų39.615%0.1524%0.243CC..G310 helixtrans-101.3-5.5174.8-70.8-36.5000112.7R405 S406 I410 P419 K501 R505R405-D408 HydrophobicContact CB-CB 4.08Å; R405-D408 PolarHBondContact O-N 2.76Å; S406-D408 PolarHBondContact O-N 3.19Å; D408-I410 PolarHBondContact O-N 3.1Å; D408-P419 HydrophobicContact CB-CG 4.29Å; D408-P419 VanDerWaalsContact O-CD 3.32Å; D408-P419 WeakPolarHBondContact O-CD 3.33Å; D408-P419 WeakPolarHBondContact O-CG 3.28Å; D408-K501 HydrophobicContact CB-CD 4.32Å; D408-R505 IonicContact OD1-CZ 3.17Å; D408-R505 IonicContact OD1-NH1 3.77Å; D408-R505 PolarHBondContact OD1-NH1 3.13Å; D408-R505 IonicContact OD1-NH2 3.61Å; D408-R505 PolarHBondContact OD1-NH2 2.81Å
409M75.6Confident76.3Confident48 Ų4838.4 Ų38.424%0.23623%0.23CC..  trans-57.3128.5173.5-173.2176.371.300109R405 S406 I411 N416 Y418R405-M409 PolarHBondContact O-N 3.21Å; S406-M409 WeakPolarHBondContact O-CB 3.45Å; S406-M409 PolarHBondContact O-N 3.33Å; M409-I411 HydrophobicContact CE-CD1 4.26Å; M409-I411 HydrophobicContact CE-CG1 4.25Å; M409-N416 HydrophobicContact CG-CB 4.14Å; M409-N416 HydrophobicContact SD-CB 3.78Å; M409-Y418 HydrophobicContact CB-CD1 4.45Å; M409-Y418 HydrophobicContact CB-CE1 4.43Å; M409-Y418 HydrophobicContact CG-CD1 4.04Å; M409-Y418 HydrophobicContact CG-CE1 3.79Å; M409-Y418 HydrophobicContact SD-CD1 4.3Å; M409-Y418 HydrophobicContact SD-CE1 3.46Å; M409-Y418 WeakPolarHBondContact SD-CE1 3.45Å
410I77.8Confident75.4Confident0 Ų040.6 Ų40.60%024%0.24CC..EExtended strand (participates in β ladder)trans-95.3131178.9-51.4170.4000106.7D408 V417 P419 V437 I438 G439 E447 V449D408-I410 PolarHBondContact O-N 3.1Å; I410-V417 HydrophobicContact CB-CB 4.2Å; I410-V417 PolarHBondContact N-O 3.02Å; I410-V417 PolarHBondContact O-N 3.08Å; I410-P419 HydrophobicContact CD1-CG 4.11Å; I410-P419 HydrophobicContact CG1-CG 4.12Å; I410-V437 HydrophobicContact CD1-CG1 3.77Å; I410-I438 WeakPolarHBondContact CD1-O 3.47Å; I410-G439 VanDerWaalsContact CD1-N 3.3Å; I410-E447 WeakPolarHBondContact CA-OE2 3.3Å; I410-E447 HydrophobicContact CG2-CB 3.65Å; I410-V449 HydrophobicContact CD1-CB 4.43Å; I410-V449 HydrophobicContact CD1-CG1 4.12Å; I410-V449 HydrophobicContact CD1-CG2 4.28Å; I410-V449 HydrophobicContact CG2-CG2 4.2Å
411I70.2Confident74.6Confident81 Ų8143.5 Ų43.542%0.41525%0.253SS..EExtended strand (participates in β ladder)trans-105.699.8173.4-54.8178.7000107.7M409 L415 E447M409-I411 HydrophobicContact CE-CD1 4.26Å; M409-I411 HydrophobicContact CE-CG1 4.25Å; I411-L415 WeakPolarHBondContact CA-O 3.32Å; I411-E447 PolarHBondContact N-OE2 3.27Å; I411-E447 PolarHBondContact O-N 3.02Å
412T73.3Confident74.4Confident6 Ų639.5 Ų39.54%0.03724%0.235CC..EExtended strand (participates in β ladder)trans-113.1120.8-178.1-166.50000109.9G414 L415 V417 F445 E447 V449 Y479T412-G414 PolarHBondContact O-N 3.12Å; T412-G414 VanDerWaalsContact O-N 3.13Å; T412-L415 PolarHBondContact N-O 2.85Å; T412-L415 PolarHBondContact O-N 2.8Å; T412-V417 HydrophobicContact CG2-CG2 3.6Å; T412-F445 WeakPolarHBondContact OG1-CB 3.33Å; T412-E447 WeakPolarHBondContact CA-O 3.41Å; T412-E447 WeakPolarHBondContact CB-O 3.47Å; T412-E447 PolarHBondContact OG1-O 3.13Å; T412-V449 HydrophobicContact CG2-CG2 3.97Å; T412-Y479 HydrophobicContact CG2-CD2 4.26Å; T412-Y479 WeakPolarHBondContact CG2-O 3.46Å
413G69.2Low74.6Confident50 Ų5038 Ų3852%0.51523%0.227SC..THydrogen-bonded Turntrans57.329.5-178.400000113.7L415 F445G413-L415 VanDerWaalsContact C-N 3.34Å; G413-F445 PolarHBondContact N-O 3.09Å
414G63.7Low74.8Confident65 Ų6539.3 Ų39.367%0.6724%0.242SC*.THydrogen-bonded Turntrans81.53.5-17600000115.6T412T412-G414 PolarHBondContact O-N 3.12Å; T412-G414 VanDerWaalsContact O-N 3.13Å
415L67.8Low75.3Confident83 Ų8340 Ų4044%0.43524%0.243SC..EExtended strand (participates in β ladder)trans-109.2140-179.5-62.4170.3000111.6I411 T412 G413 Y479I411-L415 WeakPolarHBondContact CA-O 3.32Å; T412-L415 PolarHBondContact N-O 2.85Å; T412-L415 PolarHBondContact O-N 2.8Å; G413-L415 VanDerWaalsContact C-N 3.34Å; L415-Y479 HydrophobicContact CB-CD2 3.55Å; L415-Y479 HydrophobicContact CB-CE2 3.6Å; L415-Y479 HydrophobicContact CB-CG 4.18Å; L415-Y479 HydrophobicContact CD1-CD1 3.77Å; L415-Y479 HydrophobicContact CD1-CD2 3.82Å; L415-Y479 HydrophobicContact CD1-CE1 4.24Å; L415-Y479 HydrophobicContact CD1-CE2 4.28Å; L415-Y479 HydrophobicContact CD1-CG 3.53Å; L415-Y479 HydrophobicContact CG-CD2 4.33Å
416N73.3Confident76.4Confident65 Ų6537.5 Ų37.535%0.34823%0.234SC..EExtended strand (participates in β ladder)trans-80.3122.8178.2-66.7-23.7000110.9M409 Y418 Y479M409-N416 HydrophobicContact CG-CB 4.14Å; M409-N416 HydrophobicContact SD-CB 3.78Å; N416-Y418 HydrophobicContact CB-CE2 4.44Å; N416-Y479 WeakPolarHBondContact O-CE2 3.42Å
417V73.9Confident77.8Confident0 Ų036.9 Ų36.90%023%0.227CC..EExtended strand (participates in β ladder)trans-111.8123169.9-178.50000108.2I410 T412 P419 V422 V449 Y479 K480I410-V417 HydrophobicContact CB-CB 4.2Å; I410-V417 PolarHBondContact N-O 3.02Å; I410-V417 PolarHBondContact O-N 3.08Å; T412-V417 HydrophobicContact CG2-CG2 3.6Å; V417-P419 WeakPolarHBondContact O-CD 3.3Å; V417-V422 HydrophobicContact CG1-CG2 3.74Å; V417-V449 HydrophobicContact CB-CG2 4.12Å; V417-V449 HydrophobicContact CG1-CG1 4.38Å; V417-V449 HydrophobicContact CG1-CG2 4Å; V417-V449 HydrophobicContact CG2-CG2 3.87Å; V417-Y479 HydrophobicContact CG2-CD2 3.56Å; V417-Y479 HydrophobicContact CG2-CE2 3.63Å; V417-K480 HydrophobicContact CG1-CB 4.12Å; V417-K480 HydrophobicContact CG1-CG 4.23Å; V417-K480 HydrophobicContact CG2-CB 4.44Å; V417-K480 HydrophobicContact CG2-CG 4.11Å
418Y79.3Confident78.9Confident47 Ų4737.8 Ų37.818%0.18423%0.234CC..  trans-92.4112.9175.4-60.1-70.3000108.9V391 M409 N416 K420 E421V391-Y418 HydrophobicContact CB-CD1 4.11Å; V391-Y418 HydrophobicContact CB-CE1 4.08Å; V391-Y418 HydrophobicContact CG1-CD1 3.61Å; V391-Y418 HydrophobicContact CG1-CE1 3.37Å; V391-Y418 HydrophobicContact CG1-CG 4.32Å; V391-Y418 HydrophobicContact CG2-CD1 3.93Å; V391-Y418 HydrophobicContact CG2-CE1 3.7Å; M409-Y418 HydrophobicContact CB-CD1 4.45Å; M409-Y418 HydrophobicContact CB-CE1 4.43Å; M409-Y418 HydrophobicContact CG-CD1 4.04Å; M409-Y418 HydrophobicContact CG-CE1 3.79Å; M409-Y418 HydrophobicContact SD-CD1 4.3Å; M409-Y418 HydrophobicContact SD-CE1 3.46Å; M409-Y418 WeakPolarHBondContact SD-CE1 3.45Å; N416-Y418 HydrophobicContact CB-CE2 4.44Å; Y418-K420 PolarHBondContact O-N 2.7Å; Y418-E421 WeakPolarHBondContact O-CB 3.44Å; Y418-E421 PolarHBondContact O-N 2.96Å
419P87.8Confident79.7Confident3 Ų337.3 Ų37.32%0.01923%0.231CC..Hα-helixtrans-52.7-36.3-175-34.739.2000115.1D408 I410 V417 E421 V422 E423 V437D408-P419 HydrophobicContact CB-CG 4.29Å; D408-P419 VanDerWaalsContact O-CD 3.32Å; D408-P419 WeakPolarHBondContact O-CD 3.33Å; D408-P419 WeakPolarHBondContact O-CG 3.28Å; I410-P419 HydrophobicContact CD1-CG 4.11Å; I410-P419 HydrophobicContact CG1-CG 4.12Å; V417-P419 WeakPolarHBondContact O-CD 3.3Å; P419-E421 VanDerWaalsContact C-N 3.29Å; P419-E421 PolarHBondContact O-N 2.63Å; P419-V422 PolarHBondContact O-N 3.4Å; P419-E423 WeakPolarHBondContact O-CB 3.21Å; P419-E423 WeakPolarHBondContact O-CG 3.39Å; P419-E423 PolarHBondContact O-N 3.06Å; P419-V437 HydrophobicContact CB-CB 3.83Å; P419-V437 HydrophobicContact CB-CG1 4.01Å; P419-V437 VanDerWaalsContact CB-O 3.3Å; P419-V437 WeakPolarHBondContact CB-O 3.4Å; P419-V437 HydrophobicContact CG-CG1 4.43Å
420K78.6Confident80.3Confident66 Ų6641.6 Ų41.629%0.28726%0.255SS..Hα-helixtrans-67.9-30.3-177.9-72.8-79.9163.2-152.70113.3L403 Y418 V422 E423 A424L403-K420 VanDerWaalsContact O-CB 3.24Å; L403-K420 WeakPolarHBondContact O-CB 3.17Å; Y418-K420 PolarHBondContact O-N 2.7Å; K420-V422 VanDerWaalsContact C-N 3.31Å; K420-E423 WeakPolarHBondContact CD-OE2 3.43Å; K420-E423 WeakPolarHBondContact CE-OE2 3.42Å; K420-E423 IonicContact NZ-OE2 2.74Å; K420-E423 PolarHBondContact NZ-OE2 2.93Å; K420-A424 VanDerWaalsContact O-CB 3.24Å; K420-A424 WeakPolarHBondContact O-CB 3.26Å; K420-A424 PolarHBondContact O-N 3.15Å
421E78.9Confident80.9Confident61 Ų6142.9 Ų42.929%0.28526%0.264SS..Hα-helixtrans-61.9-46.5174.7-173.8-173.5169.600109.8Y418 P419 A424 V425 K480Y418-E421 WeakPolarHBondContact O-CB 3.44Å; Y418-E421 PolarHBondContact O-N 2.96Å; P419-E421 VanDerWaalsContact C-N 3.29Å; P419-E421 PolarHBondContact O-N 2.63Å; E421-A424 PolarHBondContact O-N 2.81Å; E421-V425 WeakPolarHBondContact O-CG2 3.4Å; E421-V425 PolarHBondContact O-N 3.06Å; E421-K480 IonicContact OE1-NZ 2.7Å; E421-K480 PolarHBondContact OE1-NZ 2.94Å; E421-K480 IonicContact OE2-NZ 3.37Å; E421-K480 PolarHBondContact OE2-NZ 2.92Å
422V87.3Confident82Confident0 Ų039.2 Ų39.20%025%0.245CC..Hα-helixtrans-69-44.5178.3-171.80000110.8V417 P419 K420 A424 V425 I426 V437 I476 K480 P482V417-V422 HydrophobicContact CG1-CG2 3.74Å; P419-V422 PolarHBondContact O-N 3.4Å; K420-V422 VanDerWaalsContact C-N 3.31Å; V422-A424 VanDerWaalsContact C-N 3.32Å; V422-A424 PolarHBondContact O-N 2.9Å; V422-V425 PolarHBondContact O-N 2.91Å; V422-I426 HydrophobicContact CG1-CD1 3.89Å; V422-I426 HydrophobicContact CG1-CG1 4.44Å; V422-I426 VanDerWaalsContact O-CG1 3.31Å; V422-I426 WeakPolarHBondContact O-CG1 3.14Å; V422-I426 PolarHBondContact O-N 3.41Å; V422-V437 HydrophobicContact CB-CG1 4.33Å; V422-V437 HydrophobicContact CB-CG2 3.99Å; V422-V437 HydrophobicContact CG1-CG2 3.84Å; V422-I476 HydrophobicContact CG1-CD1 4.05Å; V422-I476 HydrophobicContact CG2-CD1 4.28Å; V422-K480 HydrophobicContact CG2-CB 4.1Å; V422-P482 HydrophobicContact CG1-CG 3.93Å
423E90.5Very high82.8Confident2 Ų242.5 Ų42.51%0.00926%0.26CS..Hα-helixtrans-60.4-38.6176.7-69.7161.2-167.800112.1P419 K420 V425 I426 D427 S435 V437 K501P419-E423 WeakPolarHBondContact O-CB 3.21Å; P419-E423 WeakPolarHBondContact O-CG 3.39Å; P419-E423 PolarHBondContact O-N 3.06Å; K420-E423 WeakPolarHBondContact CD-OE2 3.43Å; K420-E423 WeakPolarHBondContact CE-OE2 3.42Å; K420-E423 IonicContact NZ-OE2 2.74Å; K420-E423 PolarHBondContact NZ-OE2 2.93Å; E423-V425 VanDerWaalsContact C-N 3.3Å; E423-V425 PolarHBondContact O-N 3.38Å; E423-I426 PolarHBondContact O-N 2.85Å; E423-D427 WeakPolarHBondContact O-CB 3.36Å; E423-D427 PolarHBondContact O-N 3.29Å; E423-S435 WeakPolarHBondContact CA-OG 3.43Å; E423-S435 PolarHBondContact O-OG 2.87Å; E423-V437 HydrophobicContact CG-CB 3.88Å; E423-V437 HydrophobicContact CG-CG2 3.71Å; E423-V437 PolarHBondContact OE1-N 3.47Å; E423-K501 VanDerWaalsContact OE1-CE 3.24Å; E423-K501 WeakPolarHBondContact OE1-CE 3.23Å; E423-K501 IonicContact OE1-NZ 3.53Å; E423-K501 PolarHBondContact OE1-NZ 3.24Å
424A82.9Confident83.9Confident58 Ų5840.8 Ų40.848%0.47924%0.239SC..Hα-helixtrans-63.6-37.3178.600000111.9K420 E421 V422 S428K420-A424 VanDerWaalsContact O-CB 3.24Å; K420-A424 WeakPolarHBondContact O-CB 3.26Å; K420-A424 PolarHBondContact O-N 3.15Å; E421-A424 PolarHBondContact O-N 2.81Å; V422-A424 VanDerWaalsContact C-N 3.32Å; V422-A424 PolarHBondContact O-N 2.9Å; A424-S428 PolarHBondContact O-N 2.96Å
425V85Confident85.3Confident28 Ų2838 Ų3817%0.1721%0.209CC..Hα-helixtrans-73.3-41.5175.6-173.80000110.7E421 V422 E423 S428 L472 K475 I476E421-V425 WeakPolarHBondContact O-CG2 3.4Å; E421-V425 PolarHBondContact O-N 3.06Å; V422-V425 PolarHBondContact O-N 2.91Å; E423-V425 VanDerWaalsContact C-N 3.3Å; E423-V425 PolarHBondContact O-N 3.38Å; V425-S428 WeakPolarHBondContact O-CB 3.31Å; V425-S428 PolarHBondContact O-N 2.78Å; V425-S428 PolarHBondContact O-OG 2.62Å; V425-L472 HydrophobicContact CB-CD2 3.85Å; V425-L472 HydrophobicContact CG1-CD2 3.53Å; V425-K475 HydrophobicContact CG1-CB 3.92Å; V425-K475 HydrophobicContact CG1-CD 3.73Å; V425-K475 HydrophobicContact CG1-CG 4.47Å; V425-I476 HydrophobicContact CB-CG2 4.46Å; V425-I476 HydrophobicContact CG2-CG2 3.76Å
426I92.5Very high86.5Confident0 Ų034 Ų340%019%0.188CC..Hα-helixtrans-62.7-45.3175.4-63.9169.5000111.3V422 E423 S428 I429 V432 V437 A451 V453 L472 P482V422-I426 HydrophobicContact CG1-CD1 3.89Å; V422-I426 HydrophobicContact CG1-CG1 4.44Å; V422-I426 VanDerWaalsContact O-CG1 3.31Å; V422-I426 WeakPolarHBondContact O-CG1 3.14Å; V422-I426 PolarHBondContact O-N 3.41Å; E423-I426 PolarHBondContact O-N 2.85Å; I426-S428 PolarHBondContact O-N 2.82Å; I426-I429 WeakPolarHBondContact O-CB 3.34Å; I426-I429 WeakPolarHBondContact O-CG1 3.47Å; I426-I429 PolarHBondContact O-N 2.93Å; I426-V432 HydrophobicContact CG2-CG1 4.12Å; I426-V432 HydrophobicContact CG2-CG2 4.12Å; I426-V432 WeakPolarHBondContact O-CB 3.35Å; I426-V437 HydrophobicContact CD1-CG2 3.86Å; I426-A451 HydrophobicContact CD1-CB 3.73Å; I426-V453 HydrophobicContact CG2-CG2 4.05Å; I426-L472 HydrophobicContact CD1-CD1 4.16Å; I426-L472 HydrophobicContact CG1-CD1 3.83Å; I426-L472 HydrophobicContact CG1-CD2 3.77Å; I426-L472 HydrophobicContact CG1-CG 4.3Å; I426-P482 HydrophobicContact CD1-CG 4.38Å
427D90.3Very high87.5Confident29 Ų2930.9 Ų30.916%0.15517%0.171CC..THydrogen-bonded Turntrans-67.6-13.3179.8-74.64000112.6R301 E423 S435R301-D427 IonicContact NE-OD2 2.7Å; E423-D427 WeakPolarHBondContact O-CB 3.36Å; E423-D427 PolarHBondContact O-N 3.29Å; D427-S435 VanDerWaalsContact OD1-CB 3.29Å; D427-S435 WeakPolarHBondContact OD1-CB 3.36Å; D427-S435 PolarHBondContact OD1-N 2.85Å; D427-S435 PolarHBondContact OD1-OG 2.78Å
428S86.8Confident88.3Confident73 Ų7330.9 Ų30.951%0.5117%0.171SC..THydrogen-bonded Turntrans-83.7-9.3172.978.20000113.7A424 V425 I426A424-S428 PolarHBondContact O-N 2.96Å; V425-S428 WeakPolarHBondContact O-CB 3.31Å; V425-S428 PolarHBondContact O-N 2.78Å; V425-S428 PolarHBondContact O-OG 2.62Å; I426-S428 PolarHBondContact O-N 2.82Å
429I90.2Very high88.8Confident18 Ų1828.7 Ų28.79%0.09216%0.163CC..SBendtrans-77.9129178.3-58.7171000109.2I426 S431 V432 I468 E471I426-I429 WeakPolarHBondContact O-CB 3.34Å; I426-I429 WeakPolarHBondContact O-CG1 3.47Å; I426-I429 PolarHBondContact O-N 2.93Å; I429-S431 WeakPolarHBondContact CG2-OG 3.28Å; I429-S431 PolarHBondContact O-N 3.03Å; I429-S431 VanDerWaalsContact O-N 3.09Å; I429-V432 HydrophobicContact CB-CB 4.35Å; I429-V432 HydrophobicContact CB-CG2 3.9Å; I429-V432 HydrophobicContact CG2-CG2 4.2Å; I429-V432 WeakPolarHBondContact O-CB 3.47Å; I429-V432 PolarHBondContact O-N 3.41Å; I429-I468 HydrophobicContact CD1-CD1 3.74Å; I429-I468 HydrophobicContact CD1-CG2 4.2Å; I429-I468 HydrophobicContact CG2-CD1 4.21Å; I429-E471 HydrophobicContact CD1-CB 3.85Å; I429-E471 HydrophobicContact CD1-CG 4.34Å; I429-E471 HydrophobicContact CG1-CB 4.3Å
430D88Confident88.8Confident139 Ų13928.9 Ų28.974%0.74316%0.164SC*.THydrogen-bonded Turntrans-57.2-31.8-172.6-78-26.5000114.8V432 K456D430-V432 VanDerWaalsContact C-N 3.32Å; D430-K456 VanDerWaalsContact O-CD 3.23Å; D430-K456 WeakPolarHBondContact O-CD 3.47Å; D430-K456 WeakPolarHBondContact O-CE 3.45Å; D430-K456 PolarHBondContact O-NZ 2.89Å
431S90.4Very high88.6Confident26 Ų2630.9 Ų30.918%0.18218%0.183CC..THydrogen-bonded Turntrans-77.9-15.5178.457.40000113.8I429 L455 K456I429-S431 WeakPolarHBondContact CG2-OG 3.28Å; I429-S431 PolarHBondContact O-N 3.03Å; I429-S431 VanDerWaalsContact O-N 3.09Å; S431-L455 WeakPolarHBondContact O-CA 3.42Å; S431-L455 WeakPolarHBondContact O-CD2 3.42Å; S431-K456 PolarHBondContact O-N 2.87Å
432V91.8Very high88.6Confident4 Ų430 Ų302%0.02418%0.18CC..EExtended strand (participates in β ladder)trans-89.4128.9-175.2174.60000110.4I426 I429 D430 V453 L455 K456 I468I426-V432 HydrophobicContact CG2-CG1 4.12Å; I426-V432 HydrophobicContact CG2-CG2 4.12Å; I426-V432 WeakPolarHBondContact O-CB 3.35Å; I429-V432 HydrophobicContact CB-CB 4.35Å; I429-V432 HydrophobicContact CB-CG2 3.9Å; I429-V432 HydrophobicContact CG2-CG2 4.2Å; I429-V432 WeakPolarHBondContact O-CB 3.47Å; I429-V432 PolarHBondContact O-N 3.41Å; D430-V432 VanDerWaalsContact C-N 3.32Å; V432-V453 HydrophobicContact CB-CG1 4.48Å; V432-V453 HydrophobicContact CG1-CG1 4.04Å; V432-V453 HydrophobicContact CG2-CG1 3.83Å; V432-L455 HydrophobicContact CG2-CD2 4.46Å; V432-K456 VanDerWaalsContact O-CE 3.25Å; V432-K456 WeakPolarHBondContact O-CE 3.44Å; V432-I468 HydrophobicContact CG2-CD1 3.73Å
433Q90.1Very high87.9Confident76 Ų7638.5 Ų38.536%0.35523%0.225SC..EExtended strand (participates in β ladder)trans-85-46.4169.9-179.6173.6-14.100110.7R301 V454 L455 K456R301-Q433 PolarHBondContact NH1-O 3.2Å; Q433-V454 WeakPolarHBondContact CA-O 3.28Å; Q433-V454 HydrophobicContact CB-CG1 4.2Å; Q433-V454 WeakPolarHBondContact CB-O 3.35Å; Q433-V454 PolarHBondContact N-O 3.15Å; Q433-L455 PolarHBondContact OE1-O 2.96Å; Q433-K456 HydrophobicContact CB-CG 3.92Å
434E92.1Very high86.9Confident14 Ų1445.2 Ų45.27%0.06526%0.261CS..EExtended strand (participates in β ladder)trans-163.8158.1175.863.4179.5165.600113.4R301 V454 L491 K493R301-E434 IonicContact CZ-OE2 3.84Å; R301-E434 IonicContact NH2-OE2 3.39Å; R301-E434 PolarHBondContact NH2-OE2 3.42Å; E434-V454 HydrophobicContact CG-CB 3.71Å; E434-V454 HydrophobicContact CG-CG1 4.44Å; E434-V454 HydrophobicContact CG-CG2 3.76Å; E434-V454 PolarHBondContact N-O 3.33Å; E434-V454 VanDerWaalsContact N-O 3.16Å; E434-V454 PolarHBondContact O-N 3.43Å; E434-L491 HydrophobicContact CB-CD1 4.33Å; E434-L491 HydrophobicContact CG-CD1 3.72Å; E434-L491 HydrophobicContact CG-CG 4.2Å; E434-K493 WeakPolarHBondContact OE1-CE 3.43Å; E434-K493 IonicContact OE1-NZ 3.2Å; E434-K493 PolarHBondContact OE1-NZ 3.11Å; E434-K493 WeakPolarHBondContact OE2-CE 3.16Å; E434-K493 IonicContact OE2-NZ 2.61Å; E434-K493 PolarHBondContact OE2-NZ 2.82Å
435S93.9Very high86.2Confident5 Ų546.9 Ų46.94%0.03526%0.258CS..EExtended strand (participates in β ladder)trans-135.3160.2177.4680000114.1E423 D427 V452E423-S435 WeakPolarHBondContact CA-OG 3.43Å; E423-S435 PolarHBondContact O-OG 2.87Å; D427-S435 VanDerWaalsContact OD1-CB 3.29Å; D427-S435 WeakPolarHBondContact OD1-CB 3.36Å; D427-S435 PolarHBondContact OD1-N 2.85Å; D427-S435 PolarHBondContact OD1-OG 2.78Å; S435-V452 CarbonylContact C-O 3.5Å; S435-V452 VanDerWaalsContact CA-O 3.28Å; S435-V452 WeakPolarHBondContact CA-O 3.31Å
436A93.5Very high85.2Confident0 Ų048 Ų480%028%0.275CS..EExtended strand (participates in β ladder)trans-135.3131.6165.900000109.3V452 L491 V499 L504A436-V452 PolarHBondContact N-O 2.81Å; A436-V452 PolarHBondContact O-N 3.5Å; A436-L491 HydrophobicContact CB-CD1 4.03Å; A436-L491 HydrophobicContact CB-CD2 3.9Å; A436-V499 HydrophobicContact CB-CG1 4.03Å; A436-L504 HydrophobicContact CB-CD1 3.63Å
437V92.7Very high84.5Confident0 Ų050.5 Ų50.50%029%0.286CS..EExtended strand (participates in β ladder)trans-107.8131.9175.2171.70000108.8I410 P419 V422 E423 I426 V449 V450 A451 K501I410-V437 HydrophobicContact CD1-CG1 3.77Å; P419-V437 HydrophobicContact CB-CB 3.83Å; P419-V437 HydrophobicContact CB-CG1 4.01Å; P419-V437 VanDerWaalsContact CB-O 3.3Å; P419-V437 WeakPolarHBondContact CB-O 3.4Å; P419-V437 HydrophobicContact CG-CG1 4.43Å; V422-V437 HydrophobicContact CB-CG1 4.33Å; V422-V437 HydrophobicContact CB-CG2 3.99Å; V422-V437 HydrophobicContact CG1-CG2 3.84Å; E423-V437 HydrophobicContact CG-CB 3.88Å; E423-V437 HydrophobicContact CG-CG2 3.71Å; E423-V437 PolarHBondContact OE1-N 3.47Å; I426-V437 HydrophobicContact CD1-CG2 3.86Å; V437-V449 HydrophobicContact CG1-CG1 3.65Å; V437-V450 CarbonylContact C-O 3.59Å; V437-V450 VanDerWaalsContact CA-O 3.31Å; V437-V450 WeakPolarHBondContact CA-O 3.49Å; V437-A451 HydrophobicContact CG2-CB 4.15Å; V437-K501 WeakPolarHBondContact O-CE 3.47Å; V437-K501 PolarHBondContact O-NZ 2.91Å
438I92.2Very high84.4Confident0 Ų049.3 Ų49.30%028%0.281CS..EExtended strand (participates in β ladder)trans-135153.2-17863.5174.3000110.1I410 L440 V450 K501 L504 R505 L508I410-I438 WeakPolarHBondContact CD1-O 3.47Å; I438-L440 HydrophobicContact CD1-CD2 3.79Å; I438-L440 HydrophobicContact CD1-CG 4.17Å; I438-L440 HydrophobicContact CG1-CD2 4.44Å; I438-L440 HydrophobicContact CG1-CG 4.43Å; I438-V450 HydrophobicContact CG1-CB 4.07Å; I438-V450 HydrophobicContact CG1-CG1 4.35Å; I438-V450 PolarHBondContact N-O 3.45Å; I438-V450 PolarHBondContact O-N 2.99Å; I438-K501 HydrophobicContact CG2-CB 3.94Å; I438-K501 HydrophobicContact CG2-CD 4.14Å; I438-K501 HydrophobicContact CG2-CG 4.03Å; I438-L504 HydrophobicContact CD1-CB 3.96Å; I438-L504 HydrophobicContact CG2-CB 4.35Å; I438-L504 HydrophobicContact CG2-CD1 4.5Å; I438-R505 HydrophobicContact CB-CG 4.12Å; I438-R505 HydrophobicContact CD1-CG 4.03Å; I438-R505 HydrophobicContact CG2-CG 4.43Å; I438-L508 HydrophobicContact CD1-CD1 3.9Å
439G88.3Confident84.6Confident1 Ų145.9 Ų45.91%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-85.4132164.500000109.1I410 A448I410-G439 VanDerWaalsContact CD1-N 3.3Å; G439-A448 WeakPolarHBondContact CA-O 3.1Å
440L88.6Confident84.9Confident6 Ų645 Ų453%0.03125%0.252CS..EExtended strand (participates in β ladder)trans-116.4148.9164.6-65.5-175.1000109I438 D442 E447 A448 V450 R505 L508I438-L440 HydrophobicContact CD1-CD2 3.79Å; I438-L440 HydrophobicContact CD1-CG 4.17Å; I438-L440 HydrophobicContact CG1-CD2 4.44Å; I438-L440 HydrophobicContact CG1-CG 4.43Å; L440-D442 PolarHBondContact O-N 3.21Å; L440-E447 CarbonylContact O-C 3.53Å; L440-E447 WeakPolarHBondContact O-CA 3.45Å; L440-A448 PolarHBondContact N-O 3.22Å; L440-A448 VanDerWaalsContact N-O 3.11Å; L440-A448 PolarHBondContact O-N 3.1Å; L440-V450 HydrophobicContact CB-CG2 4.25Å; L440-V450 HydrophobicContact CD1-CB 4.35Å; L440-V450 HydrophobicContact CD1-CG1 4.32Å; L440-V450 HydrophobicContact CD1-CG2 3.82Å; L440-V450 HydrophobicContact CG-CB 4.36Å; L440-V450 HydrophobicContact CG-CG2 3.95Å; L440-R505 HydrophobicContact CD2-CB 4.3Å; L440-R505 HydrophobicContact CD2-CG 4.32Å; L440-L508 HydrophobicContact CD1-CB 3.74Å; L440-L508 HydrophobicContact CD2-CB 4.29Å
441P75.6Confident85.3Confident108 Ų10838.4 Ų38.470%0.70122%0.217SC*.EExtended strand (participates in β ladder)trans-52.7138.5174.1-25.234.3000112.3G446P441-G446 WeakPolarHBondContact CA-O 3.13Å
442D78.6Confident85.6Confident42 Ų4237.2 Ų37.223%0.22521%0.209CC..EExtended strand (participates in β ladder)trans-145.9133.4-179.4-178-76000109.7L440 D444 F445 G446 A448 K483L440-D442 PolarHBondContact O-N 3.21Å; D442-D444 PolarHBondContact O-N 3.28Å; D442-D444 PolarHBondContact OD1-N 2.92Å; D442-D444 VanDerWaalsContact OD1-N 3.08Å; D442-F445 VanDerWaalsContact OD1-CD2 3.3Å; D442-F445 WeakPolarHBondContact OD1-CD2 3.31Å; D442-F445 PolarHBondContact OD1-N 3.44Å; D442-G446 PolarHBondContact N-O 3.23Å; D442-G446 CarbonylContact O-C 3.59Å; D442-G446 VanDerWaalsContact O-CA 3.26Å; D442-G446 WeakPolarHBondContact O-CA 3.25Å; D442-G446 PolarHBondContact O-N 3.48Å; D442-A448 HydrophobicContact CB-CB 3.78Å; D442-A448 WeakPolarHBondContact OD2-CB 3.43Å; D442-K483 IonicContact OD1-NZ 2.71Å; D442-K483 PolarHBondContact OD1-NZ 2.92Å; D442-K483 VanDerWaalsContact OD1-NZ 3.16Å; D442-K483 IonicContact OD2-NZ 3.36Å; D442-K483 PolarHBondContact OD2-NZ 3.14Å
443L71.7Confident85.8Confident179 Ų17937 Ų3794%0.93721%0.208SC*.THydrogen-bonded Turntrans-65.8-37-172-71.1172.8000113.2
444D68.7Low86.1Confident144 Ų14433.7 Ų33.777%0.7719%0.192SC*.THydrogen-bonded Turntrans-91-25.6-172.6-61.3-40.7000111.7D442D442-D444 PolarHBondContact O-N 3.28Å; D442-D444 PolarHBondContact OD1-N 2.92Å; D442-D444 VanDerWaalsContact OD1-N 3.08Å
445F69.5Low86.1Confident93 Ų9334.2 Ų34.241%0.40820%0.195SC..THydrogen-bonded Turntrans-119.3-1.8-171-64.5-105.3000114T412 G413 D442 E447T412-F445 WeakPolarHBondContact OG1-CB 3.33Å; G413-F445 PolarHBondContact N-O 3.09Å; D442-F445 VanDerWaalsContact OD1-CD2 3.3Å; D442-F445 WeakPolarHBondContact OD1-CD2 3.31Å; D442-F445 PolarHBondContact OD1-N 3.44Å; F445-E447 PolarHBondContact O-N 3.18Å
446G63.9Low85.9Confident51 Ų5138.1 Ų38.153%0.52621%0.212SC..EExtended strand (participates in β ladder)trans78.1-61-170.100000111.3P441 D442P441-G446 WeakPolarHBondContact CA-O 3.13Å; D442-G446 PolarHBondContact N-O 3.23Å; D442-G446 CarbonylContact O-C 3.59Å; D442-G446 VanDerWaalsContact O-CA 3.26Å; D442-G446 WeakPolarHBondContact O-CA 3.25Å; D442-G446 PolarHBondContact O-N 3.48Å
447E77.5Confident85.5Confident52 Ų5243.1 Ų43.124%0.24324%0.244CC..EExtended strand (participates in β ladder)trans-125142.8167.8-61.9-174.3104.900112.1I410 I411 T412 L440 F445I410-E447 WeakPolarHBondContact CA-OE2 3.3Å; I410-E447 HydrophobicContact CG2-CB 3.65Å; I411-E447 PolarHBondContact N-OE2 3.27Å; I411-E447 PolarHBondContact O-N 3.02Å; T412-E447 WeakPolarHBondContact CA-O 3.41Å; T412-E447 WeakPolarHBondContact CB-O 3.47Å; T412-E447 PolarHBondContact OG1-O 3.13Å; L440-E447 CarbonylContact O-C 3.53Å; L440-E447 WeakPolarHBondContact O-CA 3.45Å; F445-E447 PolarHBondContact O-N 3.18Å
448A88.2Confident84.9Confident4 Ų447.9 Ų47.93%0.03328%0.283CS..EExtended strand (participates in β ladder)trans-92.4136.2164.900000110.5G439 L440 D442 V450 K483G439-A448 WeakPolarHBondContact CA-O 3.1Å; L440-A448 PolarHBondContact N-O 3.22Å; L440-A448 VanDerWaalsContact N-O 3.11Å; L440-A448 PolarHBondContact O-N 3.1Å; D442-A448 HydrophobicContact CB-CB 3.78Å; D442-A448 WeakPolarHBondContact OD2-CB 3.43Å; A448-V450 HydrophobicContact CB-CG2 4.34Å; A448-V450 PolarHBondContact O-N 3.41Å; A448-K483 HydrophobicContact CB-CD 3.9Å; A448-K483 HydrophobicContact CB-CG 4.46Å
449V91.9Very high84.3Confident1 Ų148.6 Ų48.61%0.00629%0.289CS..EExtended strand (participates in β ladder)trans-71.1122166.4-174.70000108.8I410 T412 V417 V437 P482 K483I410-V449 HydrophobicContact CD1-CB 4.43Å; I410-V449 HydrophobicContact CD1-CG1 4.12Å; I410-V449 HydrophobicContact CD1-CG2 4.28Å; I410-V449 HydrophobicContact CG2-CG2 4.2Å; T412-V449 HydrophobicContact CG2-CG2 3.97Å; V417-V449 HydrophobicContact CB-CG2 4.12Å; V417-V449 HydrophobicContact CG1-CG1 4.38Å; V417-V449 HydrophobicContact CG1-CG2 4Å; V417-V449 HydrophobicContact CG2-CG2 3.87Å; V437-V449 HydrophobicContact CG1-CG1 3.65Å; V449-P482 HydrophobicContact CG1-CB 4.27Å; V449-P482 HydrophobicContact CG1-CG 4.17Å; V449-P482 CarbonylContact O-C 3.57Å; V449-P482 VanDerWaalsContact O-CA 3.28Å; V449-P482 WeakPolarHBondContact O-CA 3.3Å; V449-K483 PolarHBondContact O-N 3.4Å
450V96Very high83.4Confident1 Ų151.8 Ų51.81%0.00631%0.311CS..EExtended strand (participates in β ladder)trans-125.3129.6179.6174.50000109.9V437 I438 L440 A448 R484 F486 L508V437-V450 CarbonylContact C-O 3.59Å; V437-V450 VanDerWaalsContact CA-O 3.31Å; V437-V450 WeakPolarHBondContact CA-O 3.49Å; I438-V450 HydrophobicContact CG1-CB 4.07Å; I438-V450 HydrophobicContact CG1-CG1 4.35Å; I438-V450 PolarHBondContact N-O 3.45Å; I438-V450 PolarHBondContact O-N 2.99Å; L440-V450 HydrophobicContact CB-CG2 4.25Å; L440-V450 HydrophobicContact CD1-CB 4.35Å; L440-V450 HydrophobicContact CD1-CG1 4.32Å; L440-V450 HydrophobicContact CD1-CG2 3.82Å; L440-V450 HydrophobicContact CG-CB 4.36Å; L440-V450 HydrophobicContact CG-CG2 3.95Å; A448-V450 HydrophobicContact CB-CG2 4.34Å; A448-V450 PolarHBondContact O-N 3.41Å; V450-R484 HydrophobicContact CG1-CB 4.39Å; V450-R484 HydrophobicContact CG2-CB 4.22Å; V450-F486 HydrophobicContact CG1-CD2 3.52Å; V450-F486 HydrophobicContact CG1-CE2 3.49Å; V450-F486 VanDerWaalsContact CG1-CE2 3.49Å; V450-L508 HydrophobicContact CG1-CD1 4.37Å
451A96.5Very high82.5Confident0 Ų055.1 Ų55.10%035%0.347CS..EExtended strand (participates in β ladder)trans-100.1136.8173.300000111I426 V437 V453 P482 R484 V485 F486I426-A451 HydrophobicContact CD1-CB 3.73Å; V437-A451 HydrophobicContact CG2-CB 4.15Å; A451-V453 HydrophobicContact CB-CG2 4.33Å; A451-P482 HydrophobicContact CB-CB 3.89Å; A451-P482 HydrophobicContact CB-CG 3.73Å; A451-R484 PolarHBondContact N-O 3.07Å; A451-V485 HydrophobicContact CB-CG1 4.49Å; A451-V485 HydrophobicContact CB-CG2 4.33Å; A451-V485 CarbonylContact O-C 3.47Å; A451-V485 WeakPolarHBondContact O-CA 3.43Å; A451-F486 PolarHBondContact O-N 3.49Å
452V97Very high82.4Confident1 Ų157.5 Ų57.51%0.00635%0.349CS..EExtended strand (participates in β ladder)trans-117.4118.5171.3-172.70000107.2S435 A436 F486 V488 L491 L504 L508S435-V452 CarbonylContact C-O 3.5Å; S435-V452 VanDerWaalsContact CA-O 3.28Å; S435-V452 WeakPolarHBondContact CA-O 3.31Å; A436-V452 PolarHBondContact N-O 2.81Å; A436-V452 PolarHBondContact O-N 3.5Å; V452-F486 CarbonylContact C-O 3.59Å; V452-F486 WeakPolarHBondContact CA-O 3.47Å; V452-V488 HydrophobicContact CG1-CB 4.26Å; V452-V488 HydrophobicContact CG1-CG1 3.63Å; V452-V488 HydrophobicContact CG1-CG2 3.57Å; V452-L491 HydrophobicContact CB-CD2 4.26Å; V452-L491 HydrophobicContact CG1-CD2 3.88Å; V452-L504 HydrophobicContact CB-CD1 4.45Å; V452-L504 HydrophobicContact CG1-CD2 4.21Å; V452-L504 HydrophobicContact CG2-CD1 4.39Å; V452-L508 HydrophobicContact CG2-CD1 3.51Å
453V96.2Very high82.5Confident0 Ų056.1 Ų56.10%034%0.343CS..EExtended strand (participates in β ladder)trans-121.7133.4-166179.70000110.2I426 V432 A451 L455 V485 F486 F487 V488I426-V453 HydrophobicContact CG2-CG2 4.05Å; V432-V453 HydrophobicContact CB-CG1 4.48Å; V432-V453 HydrophobicContact CG1-CG1 4.04Å; V432-V453 HydrophobicContact CG2-CG1 3.83Å; A451-V453 HydrophobicContact CB-CG2 4.33Å; V453-L455 HydrophobicContact CG1-CD2 4.08Å; V453-V485 HydrophobicContact CB-CG1 4.49Å; V453-V485 HydrophobicContact CG2-CG1 3.8Å; V453-F486 PolarHBondContact N-O 3.5Å; V453-F487 HydrophobicContact CB-CD1 3.88Å; V453-F487 HydrophobicContact CB-CE1 3.98Å; V453-F487 HydrophobicContact CG1-CD1 4.03Å; V453-F487 HydrophobicContact CG1-CE1 3.91Å; V453-F487 CarbonylContact O-C 3.49Å; V453-F487 VanDerWaalsContact O-CA 3.3Å; V453-F487 WeakPolarHBondContact O-CA 3.36Å; V453-V488 PolarHBondContact O-N 3.15Å
454V94.7Very high83.2Confident6 Ų650.4 Ų50.44%0.03632%0.316CS..EExtended strand (participates in β ladder)trans-103.4122.3166.2-177.20000106.9Q433 E434 V488 L491Q433-V454 WeakPolarHBondContact CA-O 3.28Å; Q433-V454 HydrophobicContact CB-CG1 4.2Å; Q433-V454 WeakPolarHBondContact CB-O 3.35Å; Q433-V454 PolarHBondContact N-O 3.15Å; E434-V454 HydrophobicContact CG-CB 3.71Å; E434-V454 HydrophobicContact CG-CG1 4.44Å; E434-V454 HydrophobicContact CG-CG2 3.76Å; E434-V454 PolarHBondContact N-O 3.33Å; E434-V454 VanDerWaalsContact N-O 3.16Å; E434-V454 PolarHBondContact O-N 3.43Å; V454-V488 HydrophobicContact CG2-CG2 3.83Å; V454-L491 HydrophobicContact CG2-CD2 4.38Å; V454-L491 HydrophobicContact CG2-CG 3.88Å
455L93.3Very high84.2Confident24 Ų2446.1 Ų46.113%0.12630%0.297CS..EExtended strand (participates in β ladder)trans-83.5152.9176.1-64.2176.5000110.5S431 V432 Q433 V453 A463 F487S431-L455 WeakPolarHBondContact O-CA 3.42Å; S431-L455 WeakPolarHBondContact O-CD2 3.42Å; V432-L455 HydrophobicContact CG2-CD2 4.46Å; Q433-L455 PolarHBondContact OE1-O 2.96Å; V453-L455 HydrophobicContact CG1-CD2 4.08Å; L455-A463 HydrophobicContact CD1-CB 3.97Å; L455-A463 HydrophobicContact CD2-CB 3.67Å; L455-A463 HydrophobicContact CG-CB 4.49Å; L455-F487 HydrophobicContact CD1-CD1 3.91Å; L455-F487 HydrophobicContact CD1-CE1 4.05Å; L455-F487 HydrophobicContact CD2-CD1 4.12Å; L455-F487 HydrophobicContact CD2-CE1 3.8Å; L455-F487 HydrophobicContact CG-CD1 3.79Å; L455-F487 HydrophobicContact CG-CE1 3.97Å
456K89.8Confident85.2Confident88 Ų8845.3 Ų45.338%0.38330%0.303SS..PPolyproline II helixtrans-62.6146.3168.3-65.5-177.4-172.6161.90109.3D430 S431 V432 Q433 A458 A459 S460D430-K456 VanDerWaalsContact O-CD 3.23Å; D430-K456 WeakPolarHBondContact O-CD 3.47Å; D430-K456 WeakPolarHBondContact O-CE 3.45Å; D430-K456 PolarHBondContact O-NZ 2.89Å; S431-K456 PolarHBondContact O-N 2.87Å; V432-K456 VanDerWaalsContact O-CE 3.25Å; V432-K456 WeakPolarHBondContact O-CE 3.44Å; Q433-K456 HydrophobicContact CB-CG 3.92Å; K456-A458 PolarHBondContact O-N 3.41Å; K456-A458 VanDerWaalsContact O-N 3.11Å; K456-A459 HydrophobicContact CB-CB 4.49Å; K456-A459 WeakPolarHBondContact O-CA 3.5Å; K456-A459 PolarHBondContact O-N 2.91Å; K456-S460 PolarHBondContact O-N 3.09Å
457P84Confident86.3Confident105 Ų10546.2 Ų46.268%0.68230%0.298SS*.G310 helixtrans-51.1-40.1-179.4-29.534.9000114.1A459 S460P457-A459 VanDerWaalsContact C-N 3.27Å; P457-A459 PolarHBondContact O-N 2.98Å; P457-S460 WeakPolarHBondContact O-CB 3.42Å; P457-S460 PolarHBondContact O-N 3.24Å; P457-S460 PolarHBondContact O-OG 3.35Å
458A81.3Confident87Confident99 Ų9943.7 Ų43.782%0.81829%0.287SS*.G310 helixtrans-70.1-18.9178.500000114.3K456K456-A458 PolarHBondContact O-N 3.41Å; K456-A458 VanDerWaalsContact O-N 3.11Å
459A79Confident87.2Confident15 Ų1544.7 Ų44.712%0.12429%0.291CS..G310 helixtrans-101.6-4179.500000113.1K456 P457 G461 H462K456-A459 HydrophobicContact CB-CB 4.49Å; K456-A459 WeakPolarHBondContact O-CA 3.5Å; K456-A459 PolarHBondContact O-N 2.91Å; P457-A459 VanDerWaalsContact C-N 3.27Å; P457-A459 PolarHBondContact O-N 2.98Å; A459-G461 PolarHBondContact O-N 3.33Å; A459-H462 PolarHBondContact O-N 3.11Å
460S69.6Low87Confident68 Ų6847.5 Ų47.548%0.47631%0.314SS..THydrogen-bonded Turntrans-52.9115.2177.4-69.90000110.4K456 P457K456-S460 PolarHBondContact O-N 3.09Å; P457-S460 WeakPolarHBondContact O-CB 3.42Å; P457-S460 PolarHBondContact O-N 3.24Å; P457-S460 PolarHBondContact O-OG 3.35Å
461G69.7Low86.6Confident76 Ų7651.4 Ų51.478%0.78433%0.333SS*.THydrogen-bonded Turntrans97.9-11.6179.400000116.5A459A459-G461 PolarHBondContact O-N 3.33Å
462H72.9Confident86.1Confident158 Ų15851.4 Ų51.473%0.73133%0.333SS*.THydrogen-bonded Turntrans-101-32.2-176.2-66.385.3000113.9A459A459-H462 PolarHBondContact O-N 3.11Å
463A81.2Confident85.6Confident13 Ų1359.3 Ų59.311%0.10736%0.362CS..  trans-84124.9177.500000110.6L455L455-A463 HydrophobicContact CD1-CB 3.97Å; L455-A463 HydrophobicContact CD2-CB 3.67Å; L455-A463 HydrophobicContact CG-CB 4.49Å
464T87.3Confident84.7Confident60 Ų6063.1 Ų63.137%0.36840%0.401SS..  trans-99.8163.2173.663.90000110.8S466 T467 I468T464-S466 PolarHBondContact O-N 2.77Å; T464-S466 PolarHBondContact OG1-OG 2.89Å; T464-T467 PolarHBondContact O-N 3.33Å; T464-T467 PolarHBondContact OG1-N 3.25Å; T464-T467 PolarHBondContact OG1-OG1 3.46Å; T464-I468 PolarHBondContact O-N 3.11Å
465S89.6Confident84Confident53 Ų5368.2 Ų68.237%0.37142%0.423SS..Hα-helixtrans-56.1-39.117152.80000111.4T467 I468 L469S465-T467 PolarHBondContact O-N 3.46Å; S465-I468 PolarHBondContact O-N 2.95Å; S465-L469 WeakPolarHBondContact O-CB 3.23Å; S465-L469 WeakPolarHBondContact O-CG 3.4Å; S465-L469 PolarHBondContact O-N 2.82Å
466S89Confident83.4Confident77 Ų7767.9 Ų67.954%0.53842%0.421SS..Hα-helixtrans-62.6-40.3177.453.50000113T464 L469 A470T464-S466 PolarHBondContact O-N 2.77Å; T464-S466 PolarHBondContact OG1-OG 2.89Å; S466-L469 PolarHBondContact O-N 3.48Å; S466-A470 VanDerWaalsContact O-CB 3.32Å; S466-A470 WeakPolarHBondContact O-CB 3.49Å; S466-A470 PolarHBondContact O-N 2.97Å
467T88.7Confident82.6Confident69 Ų6965.8 Ų65.842%0.42342%0.42SS..Hα-helixtrans-65.3-44.4177.4-520000111.5T464 S465 L469 A470 E471T464-T467 PolarHBondContact O-N 3.33Å; T464-T467 PolarHBondContact OG1-N 3.25Å; T464-T467 PolarHBondContact OG1-OG1 3.46Å; S465-T467 PolarHBondContact O-N 3.46Å; T467-L469 PolarHBondContact O-N 2.95Å; T467-A470 PolarHBondContact O-N 3.03Å; T467-E471 PolarHBondContact O-N 2.98Å; T467-E471 VanDerWaalsContact O-N 3.1Å
468I91.1Very high82.7Confident0 Ų067 Ų670%042%0.421CS..Hα-helixtrans-61.2-45.8176-60.3-62000110.7I429 V432 T464 S465 A470 E471 L472 V485 F487I429-I468 HydrophobicContact CD1-CD1 3.74Å; I429-I468 HydrophobicContact CD1-CG2 4.2Å; I429-I468 HydrophobicContact CG2-CD1 4.21Å; V432-I468 HydrophobicContact CG2-CD1 3.73Å; T464-I468 PolarHBondContact O-N 3.11Å; S465-I468 PolarHBondContact O-N 2.95Å; I468-A470 PolarHBondContact O-N 2.93Å; I468-E471 PolarHBondContact O-N 2.99Å; I468-L472 HydrophobicContact CG2-CD1 4.23Å; I468-L472 WeakPolarHBondContact O-CG 3.24Å; I468-L472 PolarHBondContact O-N 3.27Å; I468-V485 HydrophobicContact CG2-CG1 4.44Å; I468-V485 HydrophobicContact CG2-CG2 4.39Å; I468-F487 HydrophobicContact CG1-CE1 4.4Å; I468-F487 HydrophobicContact CG1-CZ 4.22Å
469L91.7Very high82.6Confident24 Ų2466.3 Ų66.313%0.12640%0.398CS..Hα-helixtrans-65.8-37.4179.7-67.6175.9000112.7S465 S466 T467 L472 R473 V481 P482 V485S465-L469 WeakPolarHBondContact O-CB 3.23Å; S465-L469 WeakPolarHBondContact O-CG 3.4Å; S465-L469 PolarHBondContact O-N 2.82Å; S466-L469 PolarHBondContact O-N 3.48Å; T467-L469 PolarHBondContact O-N 2.95Å; L469-L472 PolarHBondContact O-N 3.39Å; L469-R473 VanDerWaalsContact O-CG 3.29Å; L469-R473 WeakPolarHBondContact O-CG 3.41Å; L469-R473 PolarHBondContact O-N 3.35Å; L469-V481 HydrophobicContact CD2-CG1 3.84Å; L469-P482 HydrophobicContact CD2-CB 4.2Å; L469-P482 WeakPolarHBondContact CD2-O 3.29Å; L469-V485 HydrophobicContact CD1-CG2 4.43Å; L469-V485 HydrophobicContact CD2-CG2 3.72Å; L469-V485 HydrophobicContact CG-CG2 3.89Å
470A89.3Confident82.9Confident60 Ų6066.9 Ų66.950%0.49640%0.397SS..Hα-helixtrans-63.9-41.6176.400000111.9S466 T467 I468 L472 R473S466-A470 VanDerWaalsContact O-CB 3.32Å; S466-A470 WeakPolarHBondContact O-CB 3.49Å; S466-A470 PolarHBondContact O-N 2.97Å; T467-A470 PolarHBondContact O-N 3.03Å; I468-A470 PolarHBondContact O-N 2.93Å; A470-L472 VanDerWaalsContact C-N 3.28Å; A470-L472 PolarHBondContact O-N 2.92Å; A470-R473 PolarHBondContact O-N 2.96Å
471E86.6Confident84.1Confident84 Ų8464.4 Ų64.439%0.39338%0.379SS..Hα-helixtrans-64.4-30.7175.9-78.4-69.1155.900113.4I429 T467 I468 K475I429-E471 HydrophobicContact CD1-CB 3.85Å; I429-E471 HydrophobicContact CD1-CG 4.34Å; I429-E471 HydrophobicContact CG1-CB 4.3Å; T467-E471 PolarHBondContact O-N 2.98Å; T467-E471 VanDerWaalsContact O-N 3.1Å; I468-E471 PolarHBondContact O-N 2.99Å; E471-K475 VanDerWaalsContact O-CD 3.3Å; E471-K475 WeakPolarHBondContact O-CD 3.4Å; E471-K475 WeakPolarHBondContact O-CE 3.5Å; E471-K475 IonicContact OE2-NZ 3.84Å; E471-K475 PolarHBondContact OE2-NZ 3.3Å
472L86.6Confident85.2Confident0 Ų061 Ų610%034%0.343CS..Hα-helixtrans-77.8-37.5177.2-66174.5000112V425 I426 I468 L469 A470 G474 K475 I476 V481 P482V425-L472 HydrophobicContact CB-CD2 3.85Å; V425-L472 HydrophobicContact CG1-CD2 3.53Å; I426-L472 HydrophobicContact CD1-CD1 4.16Å; I426-L472 HydrophobicContact CG1-CD1 3.83Å; I426-L472 HydrophobicContact CG1-CD2 3.77Å; I426-L472 HydrophobicContact CG1-CG 4.3Å; I468-L472 HydrophobicContact CG2-CD1 4.23Å; I468-L472 WeakPolarHBondContact O-CG 3.24Å; I468-L472 PolarHBondContact O-N 3.27Å; L469-L472 PolarHBondContact O-N 3.39Å; A470-L472 VanDerWaalsContact C-N 3.28Å; A470-L472 PolarHBondContact O-N 2.92Å; L472-G474 PolarHBondContact O-N 2.85Å; L472-G474 VanDerWaalsContact O-N 3.11Å; L472-K475 PolarHBondContact O-N 3.24Å; L472-I476 HydrophobicContact CB-CD1 4.2Å; L472-I476 HydrophobicContact CB-CG1 4.36Å; L472-I476 HydrophobicContact CD2-CD1 4.17Å; L472-I476 PolarHBondContact O-N 3.13Å; L472-V481 HydrophobicContact CB-CG1 4.49Å; L472-V481 HydrophobicContact CB-CG2 4.49Å; L472-P482 VanDerWaalsContact CD1-CD 3.46Å; L472-P482 HydrophobicContact CD1-CG 3.95Å
473R85.9Confident86.2Confident167 Ų16757.3 Ų57.363%0.6333%0.326SS*.BIsolated β-bridgetrans-63.4111.7176.3-73.8171.4-174.6174.81.9109.3L469 A470 V481L469-R473 VanDerWaalsContact O-CG 3.29Å; L469-R473 WeakPolarHBondContact O-CG 3.41Å; L469-R473 PolarHBondContact O-N 3.35Å; A470-R473 PolarHBondContact O-N 2.96Å; R473-V481 HydrophobicContact CG-CG1 4.39Å; R473-V481 HydrophobicContact CG-CG2 4.32Å
474G77Confident86.8Confident79 Ų7961.4 Ų61.481%0.81434%0.338SS*.THydrogen-bonded Turntrans106.5-16.1-17700000114.9L472L472-G474 PolarHBondContact O-N 2.85Å; L472-G474 VanDerWaalsContact O-N 3.11Å
475K79.4Confident87.2Confident114 Ų11459.4 Ų59.450%0.49633%0.326SS..THydrogen-bonded Turntrans-98.5-28.4173-66.1-177.7-168.5162.10112.9V425 E471 L472V425-K475 HydrophobicContact CG1-CB 3.92Å; V425-K475 HydrophobicContact CG1-CD 3.73Å; V425-K475 HydrophobicContact CG1-CG 4.47Å; E471-K475 VanDerWaalsContact O-CD 3.3Å; E471-K475 WeakPolarHBondContact O-CD 3.4Å; E471-K475 WeakPolarHBondContact O-CE 3.5Å; E471-K475 IonicContact OE2-NZ 3.84Å; E471-K475 PolarHBondContact OE2-NZ 3.3Å; L472-K475 PolarHBondContact O-N 3.24Å
476I81.1Confident87.4Confident16 Ų1659.3 Ų59.38%0.08232%0.319CS..BIsolated β-bridgetrans-131.3160.217961.2177.1000110.7V422 V425 L472 K480 V481V422-I476 HydrophobicContact CG1-CD1 4.05Å; V422-I476 HydrophobicContact CG2-CD1 4.28Å; V425-I476 HydrophobicContact CB-CG2 4.46Å; V425-I476 HydrophobicContact CG2-CG2 3.76Å; L472-I476 HydrophobicContact CB-CD1 4.2Å; L472-I476 HydrophobicContact CB-CG1 4.36Å; L472-I476 HydrophobicContact CD2-CD1 4.17Å; L472-I476 PolarHBondContact O-N 3.13Å; I476-K480 HydrophobicContact CB-CB 4.45Å; I476-K480 HydrophobicContact CD1-CB 3.95Å; I476-K480 HydrophobicContact CG1-CB 4.38Å; I476-V481 HydrophobicContact CD1-CG2 4.27Å; I476-V481 HydrophobicContact CG1-CG2 4.04Å
477A74.5Confident87.6Confident44 Ų4459.6 Ų59.636%0.36431%0.31SS..  trans-61.8143.8176.200000111.7Y479 K480A477-Y479 VanDerWaalsContact C-N 3.3Å; A477-Y479 HydrophobicContact CB-CD1 3.73Å; A477-Y479 HydrophobicContact CB-CE1 3.49Å; A477-Y479 VanDerWaalsContact CB-CE1 3.49Å; A477-Y479 PolarHBondContact O-N 3.13Å; A477-K480 HydrophobicContact CB-CD 4.36Å; A477-K480 HydrophobicContact CB-CG 4.31Å; A477-K480 WeakPolarHBondContact O-CA 3.49Å; A477-K480 VanDerWaalsContact O-CB 3.29Å; A477-K480 WeakPolarHBondContact O-CB 3.45Å; A477-K480 PolarHBondContact O-N 3.21Å
478D85.3Confident87.9Confident132 Ų13258.7 Ų58.771%0.70631%0.305SS*.G310 helixtrans-55.6-39.9-171.1-70.8-26.9000113.9K480 V481D478-K480 PolarHBondContact O-N 3.02Å; D478-K480 VanDerWaalsContact O-N 3.16Å; D478-V481 WeakPolarHBondContact O-CB 3.47Å; D478-V481 PolarHBondContact O-N 3.35Å
479Y79.6Confident87.8Confident84 Ų8467.2 Ų67.233%0.32934%0.344SS..G310 helixtrans-65.5-17.2178.476.9-90.1000113.6T412 L415 N416 V417 A477T412-Y479 HydrophobicContact CG2-CD2 4.26Å; T412-Y479 WeakPolarHBondContact CG2-O 3.46Å; L415-Y479 HydrophobicContact CB-CD2 3.55Å; L415-Y479 HydrophobicContact CB-CE2 3.6Å; L415-Y479 HydrophobicContact CB-CG 4.18Å; L415-Y479 HydrophobicContact CD1-CD1 3.77Å; L415-Y479 HydrophobicContact CD1-CD2 3.82Å; L415-Y479 HydrophobicContact CD1-CE1 4.24Å; L415-Y479 HydrophobicContact CD1-CE2 4.28Å; L415-Y479 HydrophobicContact CD1-CG 3.53Å; L415-Y479 HydrophobicContact CG-CD2 4.33Å; N416-Y479 WeakPolarHBondContact O-CE2 3.42Å; V417-Y479 HydrophobicContact CG2-CD2 3.56Å; V417-Y479 HydrophobicContact CG2-CE2 3.63Å; A477-Y479 VanDerWaalsContact C-N 3.3Å; A477-Y479 HydrophobicContact CB-CD1 3.73Å; A477-Y479 HydrophobicContact CB-CE1 3.49Å; A477-Y479 VanDerWaalsContact CB-CE1 3.49Å; A477-Y479 PolarHBondContact O-N 3.13Å
480K85.8Confident87.9Confident26 Ų2669.3 Ų69.311%0.11337%0.366CS..G310 helixtrans-88.2-16.5175.3-55.1-175.1-176.1-174.10112.5V417 E421 V422 I476 A477 D478 P482V417-K480 HydrophobicContact CG1-CB 4.12Å; V417-K480 HydrophobicContact CG1-CG 4.23Å; V417-K480 HydrophobicContact CG2-CB 4.44Å; V417-K480 HydrophobicContact CG2-CG 4.11Å; E421-K480 IonicContact OE1-NZ 2.7Å; E421-K480 PolarHBondContact OE1-NZ 2.94Å; E421-K480 IonicContact OE2-NZ 3.37Å; E421-K480 PolarHBondContact OE2-NZ 2.92Å; V422-K480 HydrophobicContact CG2-CB 4.1Å; I476-K480 HydrophobicContact CB-CB 4.45Å; I476-K480 HydrophobicContact CD1-CB 3.95Å; I476-K480 HydrophobicContact CG1-CB 4.38Å; A477-K480 HydrophobicContact CB-CD 4.36Å; A477-K480 HydrophobicContact CB-CG 4.31Å; A477-K480 WeakPolarHBondContact O-CA 3.49Å; A477-K480 VanDerWaalsContact O-CB 3.29Å; A477-K480 WeakPolarHBondContact O-CB 3.45Å; A477-K480 PolarHBondContact O-N 3.21Å; D478-K480 PolarHBondContact O-N 3.02Å; D478-K480 VanDerWaalsContact O-N 3.16Å; K480-P482 WeakPolarHBondContact O-CD 3.36Å
481V93.1Very high88Confident16 Ų1667 Ų6710%0.09734%0.344CS..SBendtrans-65.7126.7-179.6178.80000108.4L469 L472 R473 I476 D478 K483L469-V481 HydrophobicContact CD2-CG1 3.84Å; L472-V481 HydrophobicContact CB-CG1 4.49Å; L472-V481 HydrophobicContact CB-CG2 4.49Å; R473-V481 HydrophobicContact CG-CG1 4.39Å; R473-V481 HydrophobicContact CG-CG2 4.32Å; I476-V481 HydrophobicContact CD1-CG2 4.27Å; I476-V481 HydrophobicContact CG1-CG2 4.04Å; D478-V481 WeakPolarHBondContact O-CB 3.47Å; D478-V481 PolarHBondContact O-N 3.35Å; V481-K483 PolarHBondContact O-N 3.18Å
482P94.5Very high88.1Confident4 Ų464.5 Ų64.53%0.02634%0.336CS..  trans-55.4134.2177-24.933.4000111.7V422 I426 V449 A451 L469 L472 K480 R484 V485V422-P482 HydrophobicContact CG1-CG 3.93Å; I426-P482 HydrophobicContact CD1-CG 4.38Å; V449-P482 HydrophobicContact CG1-CB 4.27Å; V449-P482 HydrophobicContact CG1-CG 4.17Å; V449-P482 CarbonylContact O-C 3.57Å; V449-P482 VanDerWaalsContact O-CA 3.28Å; V449-P482 WeakPolarHBondContact O-CA 3.3Å; A451-P482 HydrophobicContact CB-CB 3.89Å; A451-P482 HydrophobicContact CB-CG 3.73Å; L469-P482 HydrophobicContact CD2-CB 4.2Å; L469-P482 WeakPolarHBondContact CD2-O 3.29Å; L472-P482 VanDerWaalsContact CD1-CD 3.46Å; L472-P482 HydrophobicContact CD1-CG 3.95Å; K480-P482 WeakPolarHBondContact O-CD 3.36Å; P482-R484 VanDerWaalsContact C-N 3.31Å; P482-V485 HydrophobicContact CB-CG2 4.43Å
483K92.4Very high87.9Confident82 Ų8268.3 Ų68.336%0.35735%0.352SS..SBendtrans-74.8-26.9171.9-61.1-168.5-168.7174.50112.1D442 A448 V449 V481D442-K483 IonicContact OD1-NZ 2.71Å; D442-K483 PolarHBondContact OD1-NZ 2.92Å; D442-K483 VanDerWaalsContact OD1-NZ 3.16Å; D442-K483 IonicContact OD2-NZ 3.36Å; D442-K483 PolarHBondContact OD2-NZ 3.14Å; A448-K483 HydrophobicContact CB-CD 3.9Å; A448-K483 HydrophobicContact CB-CG 4.46Å; V449-K483 PolarHBondContact O-N 3.4Å; V481-K483 PolarHBondContact O-N 3.18Å
484R93.4Very high87.4Confident99 Ų9962.3 Ų62.337%0.37433%0.333SS..EExtended strand (participates in β ladder)trans-136.4141.4-179.4-60.7171.274.3-178.26.2109.7V450 A451 P482 F486 S512V450-R484 HydrophobicContact CG1-CB 4.39Å; V450-R484 HydrophobicContact CG2-CB 4.22Å; A451-R484 PolarHBondContact N-O 3.07Å; P482-R484 VanDerWaalsContact C-N 3.31Å; R484-F486 HydrophobicContact CB-CE2 3.97Å; R484-F486 VanDerWaalsContact CZ-CZ 3.47Å; R484-F486 VanDerWaalsContact NH2-CZ 3.32Å; R484-S512 PolarHBondContact NH1-OG 3.42Å
485V95.6Very high86.9Confident18 Ų1864.4 Ų64.411%0.10933%0.325CS..EExtended strand (participates in β ladder)trans-124.3122.2173.7-176.20000107.8A451 V453 I468 L469 P482 F487A451-V485 HydrophobicContact CB-CG1 4.49Å; A451-V485 HydrophobicContact CB-CG2 4.33Å; A451-V485 CarbonylContact O-C 3.47Å; A451-V485 WeakPolarHBondContact O-CA 3.43Å; V453-V485 HydrophobicContact CB-CG1 4.49Å; V453-V485 HydrophobicContact CG2-CG1 3.8Å; I468-V485 HydrophobicContact CG2-CG1 4.44Å; I468-V485 HydrophobicContact CG2-CG2 4.39Å; L469-V485 HydrophobicContact CD1-CG2 4.43Å; L469-V485 HydrophobicContact CD2-CG2 3.72Å; L469-V485 HydrophobicContact CG-CG2 3.89Å; P482-V485 HydrophobicContact CB-CG2 4.43Å; V485-F487 HydrophobicContact CG1-CE1 4.37Å; V485-F487 HydrophobicContact CG1-CE2 4.43Å; V485-F487 HydrophobicContact CG1-CZ 4.1Å
486F94.9Very high86.2Confident51 Ų5159.7 Ų59.722%0.22431%0.305CS..EExtended strand (participates in β ladder)trans-110.4137.7175.6-65.2-86.5000110.1V450 A451 V452 V453 R484 L508V450-F486 HydrophobicContact CG1-CD2 3.52Å; V450-F486 HydrophobicContact CG1-CE2 3.49Å; V450-F486 VanDerWaalsContact CG1-CE2 3.49Å; A451-F486 PolarHBondContact O-N 3.49Å; V452-F486 CarbonylContact C-O 3.59Å; V452-F486 WeakPolarHBondContact CA-O 3.47Å; V453-F486 PolarHBondContact N-O 3.5Å; R484-F486 HydrophobicContact CB-CE2 3.97Å; R484-F486 VanDerWaalsContact CZ-CZ 3.47Å; R484-F486 VanDerWaalsContact NH2-CZ 3.32Å; F486-L508 HydrophobicContact CD1-CD2 4.02Å; F486-L508 HydrophobicContact CD2-CD1 3.94Å; F486-L508 HydrophobicContact CD2-CD2 4.1Å; F486-L508 HydrophobicContact CE1-CD2 3.98Å; F486-L508 HydrophobicContact CE2-CD1 4.16Å; F486-L508 HydrophobicContact CE2-CD2 4.08Å; F486-L508 HydrophobicContact CG-CD1 4.44Å; F486-L508 HydrophobicContact CG-CD2 4.04Å; F486-L508 HydrophobicContact CZ-CD2 3.97Å
487F94.1Very high85.7Confident82 Ų8259.8 Ų59.836%0.3631%0.31SS..EExtended strand (participates in β ladder)trans-99.1132.3173.3-62.3-75.3000110.5V453 L455 I468 V485V453-F487 HydrophobicContact CB-CD1 3.88Å; V453-F487 HydrophobicContact CB-CE1 3.98Å; V453-F487 HydrophobicContact CG1-CD1 4.03Å; V453-F487 HydrophobicContact CG1-CE1 3.91Å; V453-F487 CarbonylContact O-C 3.49Å; V453-F487 VanDerWaalsContact O-CA 3.3Å; V453-F487 WeakPolarHBondContact O-CA 3.36Å; L455-F487 HydrophobicContact CD1-CD1 3.91Å; L455-F487 HydrophobicContact CD1-CE1 4.05Å; L455-F487 HydrophobicContact CD2-CD1 4.12Å; L455-F487 HydrophobicContact CD2-CE1 3.8Å; L455-F487 HydrophobicContact CG-CD1 3.79Å; L455-F487 HydrophobicContact CG-CE1 3.97Å; I468-F487 HydrophobicContact CG1-CE1 4.4Å; I468-F487 HydrophobicContact CG1-CZ 4.22Å; V485-F487 HydrophobicContact CG1-CE1 4.37Å; V485-F487 HydrophobicContact CG1-CE2 4.43Å; V485-F487 HydrophobicContact CG1-CZ 4.1Å
488V93.9Very high85.6Confident50 Ų5061.2 Ų61.230%0.30331%0.308SS..  trans-131.7155.1177.6-600000110.4V452 V453 V454 L491V452-V488 HydrophobicContact CG1-CB 4.26Å; V452-V488 HydrophobicContact CG1-CG1 3.63Å; V452-V488 HydrophobicContact CG1-CG2 3.57Å; V453-V488 PolarHBondContact O-N 3.15Å; V454-V488 HydrophobicContact CG2-CG2 3.83Å; V488-L491 HydrophobicContact CG2-CD2 4.08Å
489Q90.2Very high85.5Confident179 Ų17957 Ų5784%0.83629%0.287SS*.SBendtrans-70.4-32.7177.5-65.7-63.1-21.500112.6
490A91.8Very high85.6Confident69 Ų6957.2 Ų57.257%0.5729%0.289SS*.  trans-156.7148.9177.500000111.3
491L92.6Very high85.7Confident10 Ų1056.8 Ų56.85%0.05229%0.288CS..  trans-81138.6170.2-63.7175.4000110.7E434 A436 V452 V454 V488 K493 V499 L504E434-L491 HydrophobicContact CB-CD1 4.33Å; E434-L491 HydrophobicContact CG-CD1 3.72Å; E434-L491 HydrophobicContact CG-CG 4.2Å; A436-L491 HydrophobicContact CB-CD1 4.03Å; A436-L491 HydrophobicContact CB-CD2 3.9Å; V452-L491 HydrophobicContact CB-CD2 4.26Å; V452-L491 HydrophobicContact CG1-CD2 3.88Å; V454-L491 HydrophobicContact CG2-CD2 4.38Å; V454-L491 HydrophobicContact CG2-CG 3.88Å; V488-L491 HydrophobicContact CG2-CD2 4.08Å; L491-K493 PolarHBondContact O-N 3.16Å; L491-V499 HydrophobicContact CB-CG1 4.23Å; L491-V499 HydrophobicContact CB-CG2 4.11Å; L491-V499 HydrophobicContact CD1-CG2 3.85Å; L491-L504 HydrophobicContact CD2-CD1 4.18Å
492P88.2Confident85.1Confident32 Ų3259.1 Ų59.121%0.20830%0.3CS..  trans-67.5125.217528.6-33.1000109.5V499 K500 L503 L504P492-V499 CarbonylContact O-C 3.45Å; P492-V499 VanDerWaalsContact O-CA 3.29Å; P492-V499 WeakPolarHBondContact O-CA 3.41Å; P492-K500 HydrophobicContact CB-CB 4.4Å; P492-K500 PolarHBondContact O-N 2.87Å; P492-L503 HydrophobicContact CB-CD1 4.17Å; P492-L503 HydrophobicContact CG-CB 4.28Å; P492-L504 HydrophobicContact CG-CD2 3.78Å; P492-L504 HydrophobicContact CG-CG 3.82Å
493K83Confident84.8Confident80 Ų8061.6 Ų61.635%0.34831%0.312SS..BIsolated β-bridgetrans-123.5155.9-177.4-69.5171.1-177.3171.20112.4E434 L491 G497 K498 V499E434-K493 WeakPolarHBondContact OE1-CE 3.43Å; E434-K493 IonicContact OE1-NZ 3.2Å; E434-K493 PolarHBondContact OE1-NZ 3.11Å; E434-K493 WeakPolarHBondContact OE2-CE 3.16Å; E434-K493 IonicContact OE2-NZ 2.61Å; E434-K493 PolarHBondContact OE2-NZ 2.82Å; L491-K493 PolarHBondContact O-N 3.16Å; K493-G497 WeakPolarHBondContact CD-O 3.31Å; K493-K498 CarbonylContact C-O 3.6Å; K493-K498 WeakPolarHBondContact CA-O 3.34Å; K493-V499 HydrophobicContact CG-CG2 4.25Å
494N75.2Confident84.7Confident41 Ų4158.1 Ų58.122%0.21930%0.298CS..  trans-86.3179.6167.276.14.5000111.3M496 G497 K498N494-M496 PolarHBondContact O-N 2.9Å; N494-M496 VanDerWaalsContact O-N 3.12Å; N494-M496 WeakPolarHBondContact OD1-CA 3.45Å; N494-M496 WeakPolarHBondContact OD1-CB 3.47Å; N494-M496 PolarHBondContact OD1-N 3.38Å; N494-G497 PolarHBondContact O-N 3.16Å; N494-G497 PolarHBondContact OD1-N 3.45Å; N494-K498 PolarHBondContact N-O 3.43Å; N494-K498 WeakPolarHBondContact OD1-CB 3.46Å; N494-K498 PolarHBondContact OD1-N 3.38Å
495L67Low84.5Confident124 Ų12456.1 Ų56.165%0.64929%0.29SS*.THydrogen-bonded Turntrans-60.8-21.6-178.9-64.2169.8000114A110 G497A110-L495 HydrophobicContact CB-CD1 3.59Å; L495-G497 VanDerWaalsContact C-N 3.34Å
496M64.9Low84.1Confident14 Ų1460.6 Ų60.67%0.06931%0.31CS..THydrogen-bonded Turntrans-91.86.1176.2-60.5-63.7111.600112.8P224 H227 N494 K498P224-M496 HydrophobicContact CB-CE 4.33Å; P224-M496 HydrophobicContact CG-CE 3.83Å; H227-M496 WeakPolarHBondContact CE1-CE 3.45Å; H227-M496 WeakPolarHBondContact ND1-CE 3.33Å; N494-M496 PolarHBondContact O-N 2.9Å; N494-M496 VanDerWaalsContact O-N 3.12Å; N494-M496 WeakPolarHBondContact OD1-CA 3.45Å; N494-M496 WeakPolarHBondContact OD1-CB 3.47Å; N494-M496 PolarHBondContact OD1-N 3.38Å; M496-K498 VanDerWaalsContact C-N 3.3Å; M496-K498 PolarHBondContact O-N 3.47Å
497G68.9Low83.8Confident19 Ų1965 Ų6520%0.19633%0.329CS..SBendtrans78.55.4-177.200000114.9K493 N494 L495K493-G497 WeakPolarHBondContact CD-O 3.31Å; N494-G497 PolarHBondContact O-N 3.16Å; N494-G497 PolarHBondContact OD1-N 3.45Å; L495-G497 VanDerWaalsContact C-N 3.34Å
498K73.7Confident83.5Confident73 Ų7362.1 Ų62.132%0.31732%0.317SS..  trans-74.1133.6176.6-63.1-172.7177.8-1780110.7S297 A298 K493 N494 M496 K500S297-K498 WeakPolarHBondContact O-CE 3.49Å; A298-K498 HydrophobicContact CB-CG 4.2Å; K493-K498 CarbonylContact C-O 3.6Å; K493-K498 WeakPolarHBondContact CA-O 3.34Å; N494-K498 PolarHBondContact N-O 3.43Å; N494-K498 WeakPolarHBondContact OD1-CB 3.46Å; N494-K498 PolarHBondContact OD1-N 3.38Å; M496-K498 VanDerWaalsContact C-N 3.3Å; M496-K498 PolarHBondContact O-N 3.47Å; K498-K500 PolarHBondContact O-N 2.86Å
499V82Confident82.7Confident43 Ų4362.2 Ų62.226%0.26132%0.32SS..BIsolated β-bridgetrans-65.3130.6175.9-179.70000110.8A436 L491 P492 K493 K501 L504A436-V499 HydrophobicContact CB-CG1 4.03Å; L491-V499 HydrophobicContact CB-CG1 4.23Å; L491-V499 HydrophobicContact CB-CG2 4.11Å; L491-V499 HydrophobicContact CD1-CG2 3.85Å; P492-V499 CarbonylContact O-C 3.45Å; P492-V499 VanDerWaalsContact O-CA 3.29Å; P492-V499 WeakPolarHBondContact O-CA 3.41Å; K493-V499 HydrophobicContact CG-CG2 4.25Å; V499-K501 HydrophobicContact CG1-CG 4.19Å; V499-K501 PolarHBondContact O-N 3.47Å; V499-L504 HydrophobicContact CG1-CD1 3.95Å
500K82.7Confident81.2Confident90 Ų9057.8 Ų57.839%0.39131%0.309SS..  trans-85.779.7174.2-68.2-173.3175.7-174.90110P492 K498 N502 L503 L504P492-K500 HydrophobicContact CB-CB 4.4Å; P492-K500 PolarHBondContact O-N 2.87Å; K498-K500 PolarHBondContact O-N 2.86Å; K500-N502 PolarHBondContact O-N 2.73Å; K500-L503 HydrophobicContact CB-CB 4.35Å; K500-L503 HydrophobicContact CB-CD1 3.91Å; K500-L503 HydrophobicContact CB-CG 4.03Å; K500-L503 HydrophobicContact CD-CD1 3.59Å; K500-L503 HydrophobicContact CD-CG 4.32Å; K500-L503 HydrophobicContact CG-CD1 4.41Å; K500-L503 PolarHBondContact O-N 2.84Å; K500-L503 VanDerWaalsContact O-N 3.13Å; K500-L504 PolarHBondContact O-N 3.07Å
501K87.3Confident79.4Confident17 Ų1757.6 Ų57.67%0.07430%0.303CS..Hα-helixtrans-61.5-28.7-177.3-71.3-173.5175.2-162.10114.2D408 E423 V437 I438 V499 L503 L504 R505D408-K501 HydrophobicContact CB-CD 4.32Å; E423-K501 VanDerWaalsContact OE1-CE 3.24Å; E423-K501 WeakPolarHBondContact OE1-CE 3.23Å; E423-K501 IonicContact OE1-NZ 3.53Å; E423-K501 PolarHBondContact OE1-NZ 3.24Å; V437-K501 WeakPolarHBondContact O-CE 3.47Å; V437-K501 PolarHBondContact O-NZ 2.91Å; I438-K501 HydrophobicContact CG2-CB 3.94Å; I438-K501 HydrophobicContact CG2-CD 4.14Å; I438-K501 HydrophobicContact CG2-CG 4.03Å; V499-K501 HydrophobicContact CG1-CG 4.19Å; V499-K501 PolarHBondContact O-N 3.47Å; K501-L503 VanDerWaalsContact C-N 3.34Å; K501-L503 PolarHBondContact O-N 3.02Å; K501-L504 WeakPolarHBondContact O-CB 3.14Å; K501-L504 PolarHBondContact O-N 2.93Å; K501-R505 PolarHBondContact O-N 3.39Å
502N81.6Confident77Confident65 Ų6560 Ų6035%0.34832%0.32SS..Hα-helixtrans-58.8-43.7172.665.5-52.1000112.1K500 L504 R505 E506K500-N502 PolarHBondContact O-N 2.73Å; N502-L504 VanDerWaalsContact C-N 3.28Å; N502-L504 PolarHBondContact O-N 3.11Å; N502-R505 WeakPolarHBondContact O-CB 3.11Å; N502-R505 PolarHBondContact O-N 3.37Å; N502-E506 WeakPolarHBondContact O-CG 3.41Å; N502-E506 PolarHBondContact O-N 3.19Å
503L86.5Confident74.4Confident55 Ų5567.1 Ų67.129%0.28836%0.364SS..Hα-helixtrans-65.7-32.1176.8-64.1-177.6000112.2P492 K500 K501 E506 K507P492-L503 HydrophobicContact CB-CD1 4.17Å; P492-L503 HydrophobicContact CG-CB 4.28Å; K500-L503 HydrophobicContact CB-CB 4.35Å; K500-L503 HydrophobicContact CB-CD1 3.91Å; K500-L503 HydrophobicContact CB-CG 4.03Å; K500-L503 HydrophobicContact CD-CD1 3.59Å; K500-L503 HydrophobicContact CD-CG 4.32Å; K500-L503 HydrophobicContact CG-CD1 4.41Å; K500-L503 PolarHBondContact O-N 2.84Å; K500-L503 VanDerWaalsContact O-N 3.13Å; K501-L503 VanDerWaalsContact C-N 3.34Å; K501-L503 PolarHBondContact O-N 3.02Å; L503-E506 WeakPolarHBondContact CD2-OE2 3.41Å; L503-K507 WeakPolarHBondContact O-CB 3.27Å; L503-K507 VanDerWaalsContact O-CG 3.32Å; L503-K507 WeakPolarHBondContact O-CG 3.24Å; L503-K507 PolarHBondContact O-N 3.46Å
504L91.5Very high73.9Confident10 Ų1066.5 Ų66.55%0.05236%0.364CS..Hα-helixtrans-68.3-44.5173.2-66175.4000111A436 I438 V452 L491 P492 V499 K500 K501 N502 K507 L508A436-L504 HydrophobicContact CB-CD1 3.63Å; I438-L504 HydrophobicContact CD1-CB 3.96Å; I438-L504 HydrophobicContact CG2-CB 4.35Å; I438-L504 HydrophobicContact CG2-CD1 4.5Å; V452-L504 HydrophobicContact CB-CD1 4.45Å; V452-L504 HydrophobicContact CG1-CD2 4.21Å; V452-L504 HydrophobicContact CG2-CD1 4.39Å; L491-L504 HydrophobicContact CD2-CD1 4.18Å; P492-L504 HydrophobicContact CG-CD2 3.78Å; P492-L504 HydrophobicContact CG-CG 3.82Å; V499-L504 HydrophobicContact CG1-CD1 3.95Å; K500-L504 PolarHBondContact O-N 3.07Å; K501-L504 WeakPolarHBondContact O-CB 3.14Å; K501-L504 PolarHBondContact O-N 2.93Å; N502-L504 VanDerWaalsContact C-N 3.28Å; N502-L504 PolarHBondContact O-N 3.11Å; L504-K507 PolarHBondContact O-N 3.06Å; L504-L508 WeakPolarHBondContact O-CB 3.33Å; L504-L508 WeakPolarHBondContact O-CG 3.31Å; L504-L508 PolarHBondContact O-N 2.99Å
505R89.9Confident73.9Confident56 Ų5667.8 Ų67.821%0.21137%0.372CS..Hα-helixtrans-58-49.9173.9-69.3-174.7-170.61074.8110.7D408 I438 L440 K501 N502 K507 L508 S509D408-R505 IonicContact OD1-CZ 3.17Å; D408-R505 IonicContact OD1-NH1 3.77Å; D408-R505 PolarHBondContact OD1-NH1 3.13Å; D408-R505 IonicContact OD1-NH2 3.61Å; D408-R505 PolarHBondContact OD1-NH2 2.81Å; I438-R505 HydrophobicContact CB-CG 4.12Å; I438-R505 HydrophobicContact CD1-CG 4.03Å; I438-R505 HydrophobicContact CG2-CG 4.43Å; L440-R505 HydrophobicContact CD2-CB 4.3Å; L440-R505 HydrophobicContact CD2-CG 4.32Å; K501-R505 PolarHBondContact O-N 3.39Å; N502-R505 WeakPolarHBondContact O-CB 3.11Å; N502-R505 PolarHBondContact O-N 3.37Å; R505-K507 PolarHBondContact O-N 2.96Å; R505-L508 PolarHBondContact O-N 2.91Å; R505-S509 WeakPolarHBondContact O-CB 3.49Å; R505-S509 PolarHBondContact O-N 2.66Å; R505-S509 PolarHBondContact O-OG 2.87Å
506E86.1Confident74.2Confident112 Ų11264.7 Ų64.752%0.52336%0.357SS..Hα-helixtrans-56.5-51179-72.3162.8-152.100111.8N502 L503 L508 S510N502-E506 WeakPolarHBondContact O-CG 3.41Å; N502-E506 PolarHBondContact O-N 3.19Å; L503-E506 WeakPolarHBondContact CD2-OE2 3.41Å; E506-L508 PolarHBondContact O-N 3.14Å; E506-S510 PolarHBondContact O-N 2.84Å; E506-S510 PolarHBondContact O-OG 3.16Å
507K88.7Confident74.8Confident144 Ų14467.6 Ų67.663%0.62637%0.374SS*.Hα-helixtrans-64.7-37.9-179.3-76.1-176.3176.8-168.40114.1L503 L504 R505 S510 S511L503-K507 WeakPolarHBondContact O-CB 3.27Å; L503-K507 VanDerWaalsContact O-CG 3.32Å; L503-K507 WeakPolarHBondContact O-CG 3.24Å; L503-K507 PolarHBondContact O-N 3.46Å; L504-K507 PolarHBondContact O-N 3.06Å; R505-K507 PolarHBondContact O-N 2.96Å; K507-S510 PolarHBondContact O-OG 3.36Å; K507-S511 PolarHBondContact O-OG 2.96Å
508L88.1Confident75.2Confident22 Ų2270.7 Ų70.712%0.11539%0.385CS..Hα-helixtrans-88.4-21.7-176.3-65.8174000112.8I438 L440 V450 V452 F486 L504 R505 E506 S511 S512I438-L508 HydrophobicContact CD1-CD1 3.9Å; L440-L508 HydrophobicContact CD1-CB 3.74Å; L440-L508 HydrophobicContact CD2-CB 4.29Å; V450-L508 HydrophobicContact CG1-CD1 4.37Å; V452-L508 HydrophobicContact CG2-CD1 3.51Å; F486-L508 HydrophobicContact CD1-CD2 4.02Å; F486-L508 HydrophobicContact CD2-CD1 3.94Å; F486-L508 HydrophobicContact CD2-CD2 4.1Å; F486-L508 HydrophobicContact CE1-CD2 3.98Å; F486-L508 HydrophobicContact CE2-CD1 4.16Å; F486-L508 HydrophobicContact CE2-CD2 4.08Å; F486-L508 HydrophobicContact CG-CD1 4.44Å; F486-L508 HydrophobicContact CG-CD2 4.04Å; F486-L508 HydrophobicContact CZ-CD2 3.97Å; L504-L508 WeakPolarHBondContact O-CB 3.33Å; L504-L508 WeakPolarHBondContact O-CG 3.31Å; L504-L508 PolarHBondContact O-N 2.99Å; R505-L508 PolarHBondContact O-N 2.91Å; E506-L508 PolarHBondContact O-N 3.14Å; L508-S511 WeakPolarHBondContact CA-OG 3.32Å; L508-S511 PolarHBondContact O-OG 2.98Å; L508-S512 PolarHBondContact O-OG 3.27Å
509S77.2Confident75.3Confident51 Ų5170.5 Ų70.536%0.35739%0.389SS..Hα-helixtrans-68.6-41.1170.4-56.40000110.8R505 S511 S512R505-S509 WeakPolarHBondContact O-CB 3.49Å; R505-S509 PolarHBondContact O-N 2.66Å; R505-S509 PolarHBondContact O-OG 2.87Å; S509-S511 PolarHBondContact O-N 3.34Å; S509-S512 PolarHBondContact O-N 3.16Å
510S58.8Low74.8Confident87 Ų8772.5 Ų72.561%0.60840%0.398SS*.THydrogen-bonded Turntrans-71.3-12179.264.30000114.7E506 K507E506-S510 PolarHBondContact O-N 2.84Å; E506-S510 PolarHBondContact O-OG 3.16Å; K507-S510 PolarHBondContact O-OG 3.36Å
511S53.2Low74.2Confident65 Ų6571.2 Ų71.246%0.45540%0.399SS..THydrogen-bonded Turntrans-1069177.633.10000112.8K507 L508 S509K507-S511 PolarHBondContact O-OG 2.96Å; L508-S511 WeakPolarHBondContact CA-OG 3.32Å; L508-S511 PolarHBondContact O-OG 2.98Å; S509-S511 PolarHBondContact O-N 3.34Å
512S42.4Very low73.1Confident59 Ų5975.7 Ų75.741%0.41343%0.426SS..  trans-110.24.5-179.7-58.70000114.1R484 L508 S509R484-S512 PolarHBondContact NH1-OG 3.42Å; L508-S512 PolarHBondContact O-OG 3.27Å; S509-S512 PolarHBondContact O-N 3.16Å
513T33.2Very low72.3Confident182 Ų18276.6 Ų76.6100%1.11743%0.433SS*.  trans-102.10156.945.70000108.4

Retrieved 513 of 513 residues in 369 ms (Link to these results)

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