A0A096NEP0_PAPAN Loading...

Synaptotagmin 10

AlphaFold DB (A0A2K5M2K2), UniProt , Accession A0A096NEP0, Species PAPAN (Papio anubis, Olive baboon), Gene SYT10, Length 523 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
1M33.5Very low44.8Very low239 Ų239138.1 Ų138.1100%1.17773%0.732SS**  0138.50-142.9147.9171.600107.2
2S31.1Very low46.2Very low113 Ų113134.1 Ų134.179%0.7971%0.71SS**  trans11.6129.2177.253.70000121.2
3F37.7Very low47.2Very low172 Ų172129.7 Ų129.775%0.75470%0.695SS**  trans-51151.4156.9-75.4-110000112.6K5F3-K5 HydrophobicContact CD1-CB 4.07Å
4H32.3Very low48.8Very low191 Ų191130.9 Ų130.988%0.88470%0.695SS**  -134.8125.7114.1-111.7-75.7000110.4
5K44.8Very low50.1Low168 Ų168131.7 Ų131.773%0.7369%0.69SS**  trans-124.4101.5177.4166.9-165.9175.8-1760104.7F3F3-K5 HydrophobicContact CD1-CB 4.07Å
6E46.5Very low51.4Low182 Ų182125.8 Ų125.885%0.8567%0.665SS**  trans179.694.6160.7-107161.5-148.600110.1
7D43.3Very low52.8Low150 Ų150125.3 Ų125.380%0.80266%0.663SS**  trans-151.536.5159.6-107.1-31.1000109.1
8G51.6Low53.8Low55 Ų55124.9 Ų124.957%0.56766%0.656SS**SBendtrans-83.7122.5-177.200000111.7N10G8-N10 PolarHBondContact O-N 2.61Å
9V54.3Low54.7Low101 Ų101120.1 Ų120.161%0.61263%0.631SS**SBendtrans63.4-51.5171-171.40000115.6G11 L12 C13V9-G11 PolarHBondContact O-N 3.43Å; V9-L12 WeakPolarHBondContact O-CB 3.13Å; V9-L12 PolarHBondContact O-N 3.19Å; V9-C13 PolarHBondContact O-N 2.77Å
10N55.1Low55.7Low130 Ų130118.4 Ų118.470%0.69563%0.625SS**Hα-helixtrans-57.4-45.2-178.8-72.6-16000112.2G8 L12 C13 Q14G8-N10 PolarHBondContact O-N 2.61Å; N10-L12 VanDerWaalsContact C-N 3.28Å; N10-L12 PolarHBondContact O-N 3.34Å; N10-C13 PolarHBondContact O-N 2.91Å; N10-Q14 VanDerWaalsContact O-CB 3.31Å; N10-Q14 WeakPolarHBondContact O-CB 3.46Å; N10-Q14 PolarHBondContact O-N 2.94Å
11G62.4Low56.7Low18 Ų18116 Ų11619%0.18662%0.615CS.*Hα-helixtrans-64.8-26.7176.700000114.3V9 K15V9-G11 PolarHBondContact O-N 3.43Å; G11-K15 WeakPolarHBondContact O-CB 3.32Å; G11-K15 WeakPolarHBondContact O-CD 3.37Å; G11-K15 VanDerWaalsContact O-CG 3.25Å; G11-K15 WeakPolarHBondContact O-CG 3.44Å; G11-K15 PolarHBondContact O-N 3.11Å
12L62Low58.3Low90 Ų90108.5 Ų108.547%0.47158%0.577SS.*Hα-helixtrans-78.1-45.3173.6-83162.1000111.3V9 N10 Q14 K15 A16 I37V9-L12 WeakPolarHBondContact O-CB 3.13Å; V9-L12 PolarHBondContact O-N 3.19Å; N10-L12 VanDerWaalsContact C-N 3.28Å; N10-L12 PolarHBondContact O-N 3.34Å; L12-Q14 VanDerWaalsContact C-N 3.31Å; L12-Q14 PolarHBondContact O-N 3.44Å; L12-K15 PolarHBondContact O-N 2.99Å; L12-A16 WeakPolarHBondContact O-CB 3.45Å; L12-A16 PolarHBondContact O-N 3.11Å; L12-I37 HydrophobicContact CD2-CG1 4.29Å
13C59.5Low60.3Low77 Ų77107.4 Ų107.452%0.5256%0.562SS.*Hα-helixtrans-61.2-39.5174.8-710000112V9 N10 A16 L17V9-C13 PolarHBondContact O-N 2.77Å; N10-C13 PolarHBondContact O-N 2.91Å; C13-A16 PolarHBondContact O-N 3.36Å; C13-L17 WeakPolarHBondContact O-CB 3.42Å; C13-L17 PolarHBondContact O-N 3.02Å
14Q68.8Low61.5Low147 Ų147104 Ų10469%0.68756%0.559SS**Hα-helixtrans-69.6-37.7179.1-156.3170.716.200112N10 L12 H18N10-Q14 VanDerWaalsContact O-CB 3.31Å; N10-Q14 WeakPolarHBondContact O-CB 3.46Å; N10-Q14 PolarHBondContact O-N 2.94Å; L12-Q14 VanDerWaalsContact C-N 3.31Å; L12-Q14 PolarHBondContact O-N 3.44Å; Q14-H18 PolarHBondContact O-N 3.5Å
15K68.8Low63.1Low143 Ų143103.8 Ų103.862%0.62256%0.556SS**Hα-helixtrans-66.1-42.5170.8-75.9172.7-177.6174.90112.4G11 L12 H18 I19G11-K15 WeakPolarHBondContact O-CB 3.32Å; G11-K15 WeakPolarHBondContact O-CD 3.37Å; G11-K15 VanDerWaalsContact O-CG 3.25Å; G11-K15 WeakPolarHBondContact O-CG 3.44Å; G11-K15 PolarHBondContact O-N 3.11Å; L12-K15 PolarHBondContact O-N 2.99Å; K15-H18 PolarHBondContact O-N 3.38Å; K15-I19 WeakPolarHBondContact O-CG1 3.48Å; K15-I19 PolarHBondContact O-N 3.3Å
16A70.9Confident64.2Low36 Ų3699.2 Ų99.230%0.29855%0.549SS..Hα-helixtrans-62.3-43.2175.400000111.9L12 C13 H18 I19 V20 I37L12-A16 WeakPolarHBondContact O-CB 3.45Å; L12-A16 PolarHBondContact O-N 3.11Å; C13-A16 PolarHBondContact O-N 3.36Å; A16-H18 VanDerWaalsContact C-N 3.33Å; A16-H18 PolarHBondContact O-N 2.85Å; A16-I19 PolarHBondContact O-N 3.5Å; A16-V20 WeakPolarHBondContact O-CG2 3.22Å; A16-V20 PolarHBondContact O-N 2.95Å; A16-I37 HydrophobicContact CB-CD1 4.21Å
17L74.4Confident64.5Low118 Ų11893.1 Ų93.162%0.61854%0.535SS*.Hα-helixtrans-62.4-39.6176.4-162.380.4000111.8C13 V20 T21C13-L17 WeakPolarHBondContact O-CB 3.42Å; C13-L17 PolarHBondContact O-N 3.02Å; L17-V20 PolarHBondContact O-N 2.92Å; L17-T21 WeakPolarHBondContact O-CB 3.47Å; L17-T21 PolarHBondContact O-N 3.37Å; L17-T21 PolarHBondContact O-OG1 3.03Å
18H70.9Confident65.1Low118 Ų11894.1 Ų94.155%0.54654%0.535SS..Hα-helixtrans-64-42.2175.7-167.6-53.7000111.8Q14 K15 A16 T21 E22Q14-H18 PolarHBondContact O-N 3.5Å; K15-H18 PolarHBondContact O-N 3.38Å; A16-H18 VanDerWaalsContact C-N 3.33Å; A16-H18 PolarHBondContact O-N 2.85Å; H18-T21 PolarHBondContact O-N 3.48Å; H18-E22 WeakPolarHBondContact O-CG 3.47Å; H18-E22 PolarHBondContact O-N 2.93Å
19I72.4Confident65.7Low34 Ų3493.7 Ų93.717%0.17452%0.522CS..Hα-helixtrans-65.2-42.1177.1-69.3166000111.1K15 A16 T21 E22 L23 V29 I37K15-I19 WeakPolarHBondContact O-CG1 3.48Å; K15-I19 PolarHBondContact O-N 3.3Å; A16-I19 PolarHBondContact O-N 3.5Å; I19-T21 VanDerWaalsContact C-N 3.35Å; I19-E22 PolarHBondContact O-N 3.43Å; I19-L23 WeakPolarHBondContact O-CB 3.41Å; I19-L23 PolarHBondContact O-N 3.18Å; I19-V29 HydrophobicContact CG2-CG1 4.07Å; I19-V29 HydrophobicContact CG2-CG2 4.3Å; I19-I37 HydrophobicContact CD1-CD1 3.77Å
20V74Confident66.2Low85 Ų8594.9 Ų94.952%0.51552%0.52SS..Hα-helixtrans-64.7-39.7175.6172.50000111.4A16 L17 L23 C24A16-V20 WeakPolarHBondContact O-CG2 3.22Å; A16-V20 PolarHBondContact O-N 2.95Å; L17-V20 PolarHBondContact O-N 2.92Å; V20-L23 PolarHBondContact O-N 3.42Å; V20-C24 PolarHBondContact O-N 2.98Å; V20-C24 PolarHBondContact O-SG 3.12Å; V20-C24 VanDerWaalsContact O-SG 3.39Å
21T75.7Confident66.1Low69 Ų6998.1 Ų98.142%0.42352%0.523SS..Hα-helixtrans-63.3-46.4176.9-54.20000111.5L17 H18 I19 L23 C24 F25L17-T21 WeakPolarHBondContact O-CB 3.47Å; L17-T21 PolarHBondContact O-N 3.37Å; L17-T21 PolarHBondContact O-OG1 3.03Å; H18-T21 PolarHBondContact O-N 3.48Å; I19-T21 VanDerWaalsContact C-N 3.35Å; T21-L23 VanDerWaalsContact C-N 3.34Å; T21-L23 PolarHBondContact O-N 2.96Å; T21-C24 PolarHBondContact O-N 3.48Å; T21-F25 HydrophobicContact CG2-CD2 3.89Å; T21-F25 HydrophobicContact CG2-CE2 4.15Å; T21-F25 WeakPolarHBondContact O-CD2 3.43Å; T21-F25 PolarHBondContact O-N 3.44Å; T21-F25 VanDerWaalsContact O-N 3.08Å
22E68.9Low66.1Low81 Ų81105 Ų10538%0.37955%0.55SS.*Hα-helixtrans-58.5-44.6173.9-72.3-101.5104.100111.6H18 I19 C24 F25 A26 V29H18-E22 WeakPolarHBondContact O-CG 3.47Å; H18-E22 PolarHBondContact O-N 2.93Å; I19-E22 PolarHBondContact O-N 3.43Å; E22-C24 VanDerWaalsContact C-N 3.33Å; E22-C24 PolarHBondContact O-N 3.08Å; E22-F25 PolarHBondContact O-N 3.34Å; E22-A26 WeakPolarHBondContact O-CB 3.3Å; E22-A26 PolarHBondContact O-N 3.43Å; E22-V29 HydrophobicContact CB-CG2 4.18Å
23L71.8Confident66Low91 Ų91106.2 Ų106.248%0.47655%0.552SS.*Hα-helixtrans-59.9-40.8176.9-117.4152.8000112.5I19 V20 T21 G27 V29I19-L23 WeakPolarHBondContact O-CB 3.41Å; I19-L23 PolarHBondContact O-N 3.18Å; V20-L23 PolarHBondContact O-N 3.42Å; T21-L23 VanDerWaalsContact C-N 3.34Å; T21-L23 PolarHBondContact O-N 2.96Å; L23-G27 WeakPolarHBondContact O-CA 3.44Å; L23-G27 PolarHBondContact O-N 3.24Å; L23-V29 HydrophobicContact CB-CG2 4.18Å; L23-V29 HydrophobicContact CD1-CB 4.3Å; L23-V29 HydrophobicContact CD1-CG2 3.94Å; L23-V29 HydrophobicContact CG-CB 4.29Å; L23-V29 HydrophobicContact CG-CG2 3.69Å
24C63.4Low65.9Low101 Ų101103.7 Ų103.768%0.68254%0.535SS*.Hα-helixtrans-74.1-28-179.9-72.90000114.3V20 T21 E22V20-C24 PolarHBondContact O-N 2.98Å; V20-C24 PolarHBondContact O-SG 3.12Å; V20-C24 VanDerWaalsContact O-SG 3.39Å; T21-C24 PolarHBondContact O-N 3.48Å; E22-C24 VanDerWaalsContact C-N 3.33Å; E22-C24 PolarHBondContact O-N 3.08Å
25F66.3Low65.3Low186 Ų186102.1 Ų102.182%0.81653%0.53SS*.Hα-helixtrans-100.4-33.5-178.6-81.3-78.4000114.4T21 E22T21-F25 HydrophobicContact CG2-CD2 3.89Å; T21-F25 HydrophobicContact CG2-CE2 4.15Å; T21-F25 WeakPolarHBondContact O-CD2 3.43Å; T21-F25 PolarHBondContact O-N 3.44Å; T21-F25 VanDerWaalsContact O-N 3.08Å; E22-F25 PolarHBondContact O-N 3.34Å
26A67.4Low64.8Low71 Ų7198.4 Ų98.459%0.58753%0.533SS*.Hα-helixtrans-108.4-14.9-176.100000114.2E22 Q28E22-A26 WeakPolarHBondContact O-CB 3.3Å; E22-A26 PolarHBondContact O-N 3.43Å; A26-Q28 PolarHBondContact O-N 2.8Å; A26-Q28 VanDerWaalsContact O-N 3.12Å
27G53.8Low64.2Low55 Ų5599.1 Ų99.157%0.56753%0.531SS*.SBendtrans73-3.8174.400000116.4L23L23-G27 WeakPolarHBondContact O-CA 3.44Å; L23-G27 PolarHBondContact O-N 3.24Å
28Q55.6Low63Low170 Ų170101 Ų10179%0.79454%0.535SS*.  trans-138.8149.1172.5-68.3-170.9-75.700110.8A26A26-Q28 PolarHBondContact O-N 2.8Å; A26-Q28 VanDerWaalsContact O-N 3.12Å
29V63.5Low61.7Low47 Ų47101.4 Ų101.429%0.28555%0.548SS..  trans-134.9134.2174.4157.80000109.5I19 E22 L23I19-V29 HydrophobicContact CG2-CG1 4.07Å; I19-V29 HydrophobicContact CG2-CG2 4.3Å; E22-V29 HydrophobicContact CB-CG2 4.18Å; L23-V29 HydrophobicContact CB-CG2 4.18Å; L23-V29 HydrophobicContact CD1-CB 4.3Å; L23-V29 HydrophobicContact CD1-CG2 3.94Å; L23-V29 HydrophobicContact CG-CB 4.29Å; L23-V29 HydrophobicContact CG-CG2 3.69Å
30E63.7Low59.9Low126 Ų126109.9 Ų109.959%0.58958%0.578SS**  trans-74.8129.9176.4-68.1173130.200111.5E32 K33E30-E32 VanDerWaalsContact C-N 3.27Å; E30-E32 PolarHBondContact O-N 2.89Å; E30-K33 HydrophobicContact CB-CD 4.42Å; E30-K33 PolarHBondContact O-N 3.44Å; E30-K33 VanDerWaalsContact OE2-CE 3.31Å; E30-K33 WeakPolarHBondContact OE2-CE 3.35Å; E30-K33 IonicContact OE2-NZ 3.53Å; E30-K33 PolarHBondContact OE2-NZ 3.38Å
31W54.4Low58.1Low197 Ų197113.3 Ų113.375%0.74659%0.593SS**G310 helixtrans-58.2-33.8-174.2177.6-106.8000114.1K33 C34W31-K33 PolarHBondContact O-N 3.2Å; W31-C34 WeakPolarHBondContact O-CB 3.3Å; W31-C34 PolarHBondContact O-N 3.48Å
32E61.5Low56.2Low163 Ų163120.1 Ų120.176%0.76261%0.611SS**G310 helixtrans-62.9-30-177.9-59.3-167.5163.800112.8E30 C34 L35E30-E32 VanDerWaalsContact C-N 3.27Å; E30-E32 PolarHBondContact O-N 2.89Å; E32-C34 PolarHBondContact O-N 2.86Å; E32-L35 HydrophobicContact CB-CD1 4.5Å; E32-L35 PolarHBondContact O-N 3.4Å
33K61Low54.4Low116 Ų116119.8 Ų119.850%0.50463%0.63SS.*G310 helixtrans-69.5-17.4176.2-64.9170.9177.2156.30112.9E30 W31E30-K33 HydrophobicContact CB-CD 4.42Å; E30-K33 PolarHBondContact O-N 3.44Å; E30-K33 VanDerWaalsContact OE2-CE 3.31Å; E30-K33 WeakPolarHBondContact OE2-CE 3.35Å; E30-K33 IonicContact OE2-NZ 3.53Å; E30-K33 PolarHBondContact OE2-NZ 3.38Å; W31-K33 PolarHBondContact O-N 3.2Å
34C57.4Low52.5Low24 Ų24121.4 Ų121.416%0.16265%0.649CS.*G310 helixtrans-91-12.9-178.1-62.30000114.1W31 E32 G36 I37W31-C34 WeakPolarHBondContact O-CB 3.3Å; W31-C34 PolarHBondContact O-N 3.48Å; E32-C34 PolarHBondContact O-N 2.86Å; C34-G36 PolarHBondContact O-N 3.36Å; C34-G36 VanDerWaalsContact O-N 3.12Å; C34-I37 PolarHBondContact O-N 3.02Å; C34-I37 VanDerWaalsContact O-N 3.16Å
35L55.5Low51.1Low113 Ų113125.7 Ų125.759%0.59266%0.659SS**THydrogen-bonded Turntrans-62.6-21.3-173.8-71.4169.1000114.4E32E32-L35 HydrophobicContact CB-CD1 4.5Å; E32-L35 PolarHBondContact O-N 3.4Å
36G57.4Low49.4Very low66 Ų66120.7 Ų120.768%0.6866%0.659SS**THydrogen-bonded Turntrans-83.4-3.9178.400000115.8C34C34-G36 PolarHBondContact O-N 3.36Å; C34-G36 VanDerWaalsContact O-N 3.12Å
37I58.8Low47.8Very low51 Ų51121.6 Ų121.626%0.26268%0.675SS.*THydrogen-bonded Turntrans-112-29.9-174.7-60.4179000112.2L12 A16 I19 C34L12-I37 HydrophobicContact CD2-CG1 4.29Å; A16-I37 HydrophobicContact CB-CD1 4.21Å; I19-I37 HydrophobicContact CD1-CD1 3.77Å; C34-I37 PolarHBondContact O-N 3.02Å; C34-I37 VanDerWaalsContact O-N 3.16Å
38F49.5Very low47Very low157 Ų157122 Ų12269%0.68968%0.68SS**  trans-124.9100-176.1-61.5-76.4000111.9R40F38-R40 PolarHBondContact O-N 2.95Å
39P44.5Very low46.6Very low127 Ų127119.5 Ų119.583%0.82568%0.681SS**  trans-61.8126.8168.6-20.233000110.3D41P39-D41 PolarHBondContact O-N 3.02Å
40R33.9Very low45.8Very low211 Ų211122.9 Ų122.980%0.79670%0.702SS**  trans-79.5101178.3179.3-178.8177.9171.42.4110F38F38-R40 PolarHBondContact O-N 2.95Å
41D35.5Very low44.9Very low158 Ų158123.6 Ų123.685%0.84571%0.71SS**  trans-67.1137.8177.9-158.5-2.5000111.8P39P39-D41 PolarHBondContact O-N 3.02Å
42R35.6Very low44.8Very low212 Ų212121.2 Ų121.280%0.871%0.71SS**  trans-150.493.9-171.9-141.4-169.4-168.9-168.63.6111
43G32.9Very low44.5Very low74 Ų74117.5 Ų117.576%0.76370%0.702SS**  trans93.7106.7164.500000114.6
44S30.7Very low44.2Very low125 Ų125117.2 Ų117.287%0.87471%0.71SS**  trans-78.1117.8174.3178.20000112
45Q34.2Very low44.7Very low191 Ų191119.6 Ų119.689%0.89373%0.727SS**  trans-152.4137.1148-79.3-160.1-3.100110.2
46G31Very low45.3Very low81 Ų81120.1 Ų120.184%0.83573%0.729SS**  trans98.5103.6163.200000115.6
47G33.8Very low45.9Very low89 Ų89122.6 Ų122.692%0.91873%0.727SS**  trans-71.9166.4-17700000116.3
48G35.9Very low46.7Very low64 Ų64123 Ų12366%0.6674%0.737SS**  trans163.172.3173.200000115.9
49S48.1Very low48.2Very low118 Ų118119.9 Ų119.983%0.82573%0.731SS**SBendtrans40.389.9153.260.90000119.9
50T46.2Very low50.2Low117 Ų117117.6 Ų117.672%0.71871%0.714SS**  trans-152.3-5.5155.48.20000116.9I52T50-I52 PolarHBondContact O-N 3.26Å
51D44.7Very low52.7Low141 Ų141112 Ų11275%0.75470%0.704SS**THydrogen-bonded Turntrans-80-3.8-165.1-60.8-58.5000117.6
52I53Low55.1Low148 Ų148107.8 Ų107.876%0.75969%0.687SS**Hα-helixtrans-78-30.6-168.9-63.7167.7000112.9T50 L56T50-I52 PolarHBondContact O-N 3.26Å; I52-L56 PolarHBondContact O-N 3.4Å
53S54.2Low57.7Low85 Ų85104.8 Ų104.859%0.59468%0.68SS**Hα-helixtrans-73.7-38.5-173.555.50000113.8L57S53-L57 PolarHBondContact O-N 3.03Å
54V55.7Low60.4Low110 Ų110104.5 Ų104.567%0.66767%0.665SS**Hα-helixtrans-70.9-39180-177.70000111L57 A58V54-L57 PolarHBondContact O-N 3.09Å; V54-A58 WeakPolarHBondContact O-CB 3.33Å; V54-A58 PolarHBondContact O-N 2.89Å
55S67.6Low63.3Low74 Ų74100.3 Ų100.352%0.51764%0.641SS.*Hα-helixtrans-63.3-44.5179.8-170.10000112.3L57 A58 V59S55-L57 VanDerWaalsContact C-N 3.35Å; S55-L57 PolarHBondContact O-N 3.13Å; S55-A58 PolarHBondContact O-N 2.79Å; S55-V59 WeakPolarHBondContact O-CG2 3.4Å; S55-V59 PolarHBondContact O-N 3.5Å
56L69Low66.1Low123 Ų12396.2 Ų96.264%0.64463%0.625SS**Hα-helixtrans-63.6-40.5179.7-157.6104000112.2I52 V59 V60I52-L56 PolarHBondContact O-N 3.4Å; L56-V59 PolarHBondContact O-N 3.23Å; L56-V60 WeakPolarHBondContact O-CG2 3.35Å; L56-V60 PolarHBondContact O-N 2.91Å
57L69.4Low69Low119 Ų11994.5 Ų94.562%0.62360%0.604SS**Hα-helixtrans-69-39.4-179.7-141159000111S53 V54 S55 V60 V61S53-L57 PolarHBondContact O-N 3.03Å; V54-L57 PolarHBondContact O-N 3.09Å; S55-L57 VanDerWaalsContact C-N 3.35Å; S55-L57 PolarHBondContact O-N 3.13Å; L57-V60 PolarHBondContact O-N 3.35Å; L57-V61 HydrophobicContact CD2-CG2 4.07Å; L57-V61 WeakPolarHBondContact O-CG2 3.26Å; L57-V61 PolarHBondContact O-N 2.87Å
58A76.3Confident71.8Confident59 Ų5996.2 Ų96.249%0.48859%0.591SS.*Hα-helixtrans-63.1-40.5171.900000112.7V54 S55 S62V54-A58 WeakPolarHBondContact O-CB 3.33Å; V54-A58 PolarHBondContact O-N 2.89Å; S55-A58 PolarHBondContact O-N 2.79Å; A58-S62 VanDerWaalsContact O-CB 3.25Å; A58-S62 WeakPolarHBondContact O-CB 3.31Å; A58-S62 PolarHBondContact O-N 2.87Å
59V80.9Confident74.5Confident91 Ų9197.7 Ų97.755%0.55258%0.583SS**Hα-helixtrans-64.1-44.3175.1169.30000111.4S55 L56 S62 F63S55-V59 WeakPolarHBondContact O-CG2 3.4Å; S55-V59 PolarHBondContact O-N 3.5Å; L56-V59 PolarHBondContact O-N 3.23Å; V59-S62 PolarHBondContact O-N 3.48Å; V59-F63 WeakPolarHBondContact O-CB 3.44Å; V59-F63 PolarHBondContact O-N 3.49Å
60V85.1Confident76.7Confident79 Ų7996.9 Ų96.948%0.47957%0.573SS.*Hα-helixtrans-63.7-44.6177.3170.20000111.6L56 L57 F63 C64L56-V60 WeakPolarHBondContact O-CG2 3.35Å; L56-V60 PolarHBondContact O-N 2.91Å; L57-V60 PolarHBondContact O-N 3.35Å; V60-F63 PolarHBondContact O-N 3.36Å; V60-C64 WeakPolarHBondContact O-CB 3.42Å; V60-C64 PolarHBondContact O-N 3.41Å
61V87.1Confident78.9Confident94 Ų9495.5 Ų95.557%0.5756%0.564SS**Hα-helixtrans-64.1-41.8177.1170.70000111.3L57 G65L57-V61 HydrophobicContact CD2-CG2 4.07Å; L57-V61 WeakPolarHBondContact O-CG2 3.26Å; L57-V61 PolarHBondContact O-N 2.87Å; V61-G65 PolarHBondContact O-N 2.9Å
62S85.9Confident81.1Confident70 Ų7092.3 Ų92.349%0.4955%0.553SS.*Hα-helixtrans-62.6-45.6175.7-174.80000112A58 V59 G65 L66A58-S62 VanDerWaalsContact O-CB 3.25Å; A58-S62 WeakPolarHBondContact O-CB 3.31Å; A58-S62 PolarHBondContact O-N 2.87Å; V59-S62 PolarHBondContact O-N 3.48Å; S62-G65 PolarHBondContact O-N 2.8Å; S62-L66 WeakPolarHBondContact O-CG 3.41Å; S62-L66 PolarHBondContact O-N 3.33Å
63F91.3Very high82.9Confident149 Ų14990.3 Ų90.365%0.65454%0.543SS*.Hα-helixtrans-66.1-44.2179.4-168.1-95.3000112.4V59 V60 G65 L66 A67V59-F63 WeakPolarHBondContact O-CB 3.44Å; V59-F63 PolarHBondContact O-N 3.49Å; V60-F63 PolarHBondContact O-N 3.36Å; F63-G65 VanDerWaalsContact C-N 3.35Å; F63-G65 PolarHBondContact O-N 3.27Å; F63-L66 PolarHBondContact O-N 2.93Å; F63-A67 WeakPolarHBondContact O-CB 3.32Å; F63-A67 PolarHBondContact O-N 2.86Å
64C89Confident84.6Confident67 Ų6792.1 Ų92.145%0.45354%0.541SS..Hα-helixtrans-62.3-40.4172.6-78.20000112.1V60 A67 L68V60-C64 WeakPolarHBondContact O-CB 3.42Å; V60-C64 PolarHBondContact O-N 3.41Å; C64-A67 PolarHBondContact O-N 3.47Å; C64-L68 WeakPolarHBondContact O-CB 3.39Å; C64-L68 WeakPolarHBondContact O-CG 3.44Å; C64-L68 PolarHBondContact O-N 3Å
65G91.8Very high86.2Confident37 Ų3790.1 Ų90.138%0.38153%0.529SS..Hα-helixtrans-59.7-47.5175.300000112.4V61 S62 F63 L68 L69V61-G65 PolarHBondContact O-N 2.9Å; S62-G65 PolarHBondContact O-N 2.8Å; F63-G65 VanDerWaalsContact C-N 3.35Å; F63-G65 PolarHBondContact O-N 3.27Å; G65-L68 PolarHBondContact O-N 3.34Å; G65-L69 WeakPolarHBondContact O-CB 3.4Å; G65-L69 PolarHBondContact O-N 3.46Å
66L92.8Very high87.2Confident105 Ų10593 Ų9355%0.5553%0.532SS..Hα-helixtrans-63.6-42.4175.9-71.9170.7000112.4S62 F63 L68 L69 V70S62-L66 WeakPolarHBondContact O-CG 3.41Å; S62-L66 PolarHBondContact O-N 3.33Å; F63-L66 PolarHBondContact O-N 2.93Å; L66-L68 PolarHBondContact O-N 2.97Å; L66-L69 WeakPolarHBondContact O-CB 3.39Å; L66-L69 PolarHBondContact O-N 3.21Å; L66-V70 WeakPolarHBondContact O-CG2 3.37Å; L66-V70 PolarHBondContact O-N 3.49Å
67A90.6Very high87.9Confident46 Ų4695.1 Ų95.138%0.3853%0.532SS..Hα-helixtrans-61.1-44.5176.900000112F63 C64 L69 V70 V71F63-A67 WeakPolarHBondContact O-CB 3.32Å; F63-A67 PolarHBondContact O-N 2.86Å; C64-A67 PolarHBondContact O-N 3.47Å; A67-L69 VanDerWaalsContact C-N 3.32Å; A67-L69 PolarHBondContact O-N 2.99Å; A67-V70 PolarHBondContact O-N 3.42Å; A67-V71 WeakPolarHBondContact O-CG2 3.25Å; A67-V71 PolarHBondContact O-N 2.96Å
68L93.1Very high88.6Confident124 Ų12495.5 Ų95.565%0.64953%0.528SS*.Hα-helixtrans-64.3-35.7175.2-71.4171.8000112.3C64 G65 L66 V71 S72C64-L68 WeakPolarHBondContact O-CB 3.39Å; C64-L68 WeakPolarHBondContact O-CG 3.44Å; C64-L68 PolarHBondContact O-N 3Å; G65-L68 PolarHBondContact O-N 3.34Å; L66-L68 PolarHBondContact O-N 2.97Å; L68-V71 PolarHBondContact O-N 3.37Å; L68-S72 VanDerWaalsContact O-CB 3.25Å; L68-S72 WeakPolarHBondContact O-CB 3.36Å; L68-S72 PolarHBondContact O-N 2.94Å
69L92.8Very high88.6Confident96 Ų9698.5 Ų98.550%0.50354%0.536SS..Hα-helixtrans-65.3-43.7175.6-137.6173.8000111.3G65 L66 A67 S72 L73G65-L69 WeakPolarHBondContact O-CB 3.4Å; G65-L69 PolarHBondContact O-N 3.46Å; L66-L69 WeakPolarHBondContact O-CB 3.39Å; L66-L69 PolarHBondContact O-N 3.21Å; A67-L69 VanDerWaalsContact C-N 3.32Å; A67-L69 PolarHBondContact O-N 2.99Å; L69-S72 PolarHBondContact O-N 3.39Å; L69-L73 HydrophobicContact CD2-CD1 3.77Å; L69-L73 HydrophobicContact CD2-CG 3.95Å; L69-L73 WeakPolarHBondContact O-CG 3.28Å; L69-L73 PolarHBondContact O-N 2.88Å
70V93.8Very high87.9Confident101 Ų10196.2 Ų96.261%0.61252%0.523SS*.Hα-helixtrans-63.3-44.1175.5172.20000111.5L66 A67 L73 F74L66-V70 WeakPolarHBondContact O-CG2 3.37Å; L66-V70 PolarHBondContact O-N 3.49Å; A67-V70 PolarHBondContact O-N 3.42Å; V70-L73 PolarHBondContact O-N 2.91Å; V70-F74 WeakPolarHBondContact O-CB 3.43Å; V70-F74 PolarHBondContact O-N 3.39Å
71V92.2Very high86.7Confident87 Ų87100 Ų10053%0.52753%0.529SS..Hα-helixtrans-63.3-43.1175.5173.10000110.9A67 L68 F74 V75A67-V71 WeakPolarHBondContact O-CG2 3.25Å; A67-V71 PolarHBondContact O-N 2.96Å; L68-V71 PolarHBondContact O-N 3.37Å; V71-F74 PolarHBondContact O-N 3.4Å; V71-V75 HydrophobicContact CG1-CG2 4.29Å; V71-V75 WeakPolarHBondContact O-CB 3.25Å; V71-V75 VanDerWaalsContact O-CG2 3.31Å; V71-V75 WeakPolarHBondContact O-CG2 3.48Å; V71-V75 PolarHBondContact O-N 3.3Å
72S90.7Very high85Confident75 Ų7599.3 Ų99.352%0.52453%0.526SS..Hα-helixtrans-60.5-45.7176.5-174.90000112L68 L69 F74 V75 F76L68-S72 VanDerWaalsContact O-CB 3.25Å; L68-S72 WeakPolarHBondContact O-CB 3.36Å; L68-S72 PolarHBondContact O-N 2.94Å; L69-S72 PolarHBondContact O-N 3.39Å; S72-F74 PolarHBondContact O-N 3.5Å; S72-V75 PolarHBondContact O-N 3.26Å; S72-F76 VanDerWaalsContact O-CB 3.25Å; S72-F76 WeakPolarHBondContact O-CB 3.42Å; S72-F76 PolarHBondContact O-N 2.99Å
73L92.1Very high83.1Confident105 Ų105100.7 Ų100.755%0.5554%0.535SS..Hα-helixtrans-64.3-38.6175.5-72.3171.8000112.5L69 V70 W77L69-L73 HydrophobicContact CD2-CD1 3.77Å; L69-L73 HydrophobicContact CD2-CG 3.95Å; L69-L73 WeakPolarHBondContact O-CG 3.28Å; L69-L73 PolarHBondContact O-N 2.88Å; V70-L73 PolarHBondContact O-N 2.91Å; L73-W77 VanDerWaalsContact O-CB 3.28Å; L73-W77 WeakPolarHBondContact O-CB 3.47Å; L73-W77 PolarHBondContact O-N 2.98Å
74F90.6Very high81.1Confident123 Ų123104.7 Ų104.754%0.53955%0.546SS..Hα-helixtrans-67.4-42176.1-175.6-97.9000112.2V70 V71 S72 W77 K78V70-F74 WeakPolarHBondContact O-CB 3.43Å; V70-F74 PolarHBondContact O-N 3.39Å; V71-F74 PolarHBondContact O-N 3.4Å; S72-F74 PolarHBondContact O-N 3.5Å; F74-W77 PolarHBondContact O-N 2.95Å; F74-K78 HydrophobicContact CD1-CG 4.33Å; F74-K78 HydrophobicContact CE1-CG 3.99Å; F74-K78 HydrophobicContact CZ-CG 4.2Å; F74-K78 WeakPolarHBondContact O-CB 3.32Å; F74-K78 WeakPolarHBondContact O-CG 3.38Å; F74-K78 PolarHBondContact O-N 3.28Å
75V88.8Confident78.9Confident69 Ų69110.4 Ų110.442%0.41856%0.563SS.*Hα-helixtrans-65.8-44.4174.7170.50000110.5V71 S72 W77 K78 L79V71-V75 HydrophobicContact CG1-CG2 4.29Å; V71-V75 WeakPolarHBondContact O-CB 3.25Å; V71-V75 VanDerWaalsContact O-CG2 3.31Å; V71-V75 WeakPolarHBondContact O-CG2 3.48Å; V71-V75 PolarHBondContact O-N 3.3Å; S72-V75 PolarHBondContact O-N 3.26Å; V75-W77 PolarHBondContact O-N 3.12Å; V75-K78 CarbonylContact O-C 3.44Å; V75-K78 PolarHBondContact O-N 2.98Å; V75-L79 HydrophobicContact CG1-CD1 3.68Å; V75-L79 HydrophobicContact CG1-CG 4.18Å; V75-L79 WeakPolarHBondContact O-CB 3.33Å; V75-L79 VanDerWaalsContact O-CG 3.26Å; V75-L79 WeakPolarHBondContact O-CG 3.36Å; V75-L79 PolarHBondContact O-N 2.84Å
76F88.8Confident76.6Confident135 Ų135112.7 Ų112.759%0.59257%0.573SS**Hα-helixtrans-60.1-46175.2-172.4-97.6000111.5S72 K78 L79 C80S72-F76 VanDerWaalsContact O-CB 3.25Å; S72-F76 WeakPolarHBondContact O-CB 3.42Å; S72-F76 PolarHBondContact O-N 2.99Å; F76-K78 PolarHBondContact O-N 2.86Å; F76-L79 PolarHBondContact O-N 3.42Å; F76-C80 WeakPolarHBondContact O-CB 3.32Å; F76-C80 PolarHBondContact O-N 3.29Å; F76-C80 PolarHBondContact O-SG 3.39Å; F76-C80 VanDerWaalsContact O-SG 3.35Å
77W83.3Confident73.8Confident166 Ų166116.8 Ų116.863%0.62959%0.586SS**Hα-helixtrans-58.9-46.1173.8-170.70.6000111.2L73 F74 V75 L79 C80 W81L73-W77 VanDerWaalsContact O-CB 3.28Å; L73-W77 WeakPolarHBondContact O-CB 3.47Å; L73-W77 PolarHBondContact O-N 2.98Å; F74-W77 PolarHBondContact O-N 2.95Å; V75-W77 PolarHBondContact O-N 3.12Å; W77-L79 VanDerWaalsContact C-N 3.35Å; W77-L79 PolarHBondContact O-N 2.94Å; W77-C80 PolarHBondContact O-N 2.88Å; W77-W81 AromaticContact CD1-CE3 3.8Å; W77-W81 HydrophobicContact CZ2-CZ3 4.45Å; W77-W81 AromaticContact NE1-CE3 3.31Å; W77-W81 VanDerWaalsContact NE1-CE3 3.31Å; W77-W81 AromaticContact NE1-CZ3 3.4Å; W77-W81 WeakPolarHBondContact O-CB 3.46Å; W77-W81 PolarHBondContact O-N 2.92Å
78K83.1Confident71.2Confident128 Ų128120.3 Ų120.356%0.55761%0.605SS**Hα-helixtrans-66.6-28.5177.1-80.3-74.2-176175.20114.5F74 V75 F76 P82F74-K78 HydrophobicContact CD1-CG 4.33Å; F74-K78 HydrophobicContact CE1-CG 3.99Å; F74-K78 HydrophobicContact CZ-CG 4.2Å; F74-K78 WeakPolarHBondContact O-CB 3.32Å; F74-K78 WeakPolarHBondContact O-CG 3.38Å; F74-K78 PolarHBondContact O-N 3.28Å; V75-K78 CarbonylContact O-C 3.44Å; V75-K78 PolarHBondContact O-N 2.98Å; F76-K78 PolarHBondContact O-N 2.86Å; K78-P82 VanDerWaalsContact O-CD 3.3Å; K78-P82 WeakPolarHBondContact O-CD 3.49Å
79L76.3Confident68.3Low122 Ų122120.9 Ų120.964%0.63961%0.614SS**Hα-helixtrans-82.9-28.8175.4-71.7172.8000112.7V75 F76 W77 P82V75-L79 HydrophobicContact CG1-CD1 3.68Å; V75-L79 HydrophobicContact CG1-CG 4.18Å; V75-L79 WeakPolarHBondContact O-CB 3.33Å; V75-L79 VanDerWaalsContact O-CG 3.26Å; V75-L79 WeakPolarHBondContact O-CG 3.36Å; V75-L79 PolarHBondContact O-N 2.84Å; F76-L79 PolarHBondContact O-N 3.42Å; W77-L79 VanDerWaalsContact C-N 3.35Å; W77-L79 PolarHBondContact O-N 2.94Å; L79-P82 WeakPolarHBondContact O-CD 3.13Å
80C65.9Low65.3Low43 Ų43122.6 Ų122.629%0.29163%0.628SS.*Hα-helixtrans-83-24.9173.8-67.20000113.1F76 W77 P82 C83F76-C80 WeakPolarHBondContact O-CB 3.32Å; F76-C80 PolarHBondContact O-N 3.29Å; F76-C80 PolarHBondContact O-SG 3.39Å; F76-C80 VanDerWaalsContact O-SG 3.35Å; W77-C80 PolarHBondContact O-N 2.88Å; C80-P82 VanDerWaalsContact C-CD 3.47Å; C80-C83 PolarHBondContact O-N 3.33Å
81W60.6Low62.4Low158 Ų158122.6 Ų122.660%0.59863%0.633SS**THydrogen-bonded Turntrans-54.9-41179.3-164.9-95.1000115.2W77W77-W81 AromaticContact CD1-CE3 3.8Å; W77-W81 HydrophobicContact CZ2-CZ3 4.45Å; W77-W81 AromaticContact NE1-CE3 3.31Å; W77-W81 VanDerWaalsContact NE1-CE3 3.31Å; W77-W81 AromaticContact NE1-CZ3 3.4Å; W77-W81 WeakPolarHBondContact O-CB 3.46Å; W77-W81 PolarHBondContact O-N 2.92Å
82P51Low59.3Low80 Ų80126.5 Ų126.552%0.51965%0.651SS.*G310 helixtrans-70.5-30.7179.5-17.533.3000112.8K78 L79 C80 W84 K85K78-P82 VanDerWaalsContact O-CD 3.3Å; K78-P82 WeakPolarHBondContact O-CD 3.49Å; L79-P82 WeakPolarHBondContact O-CD 3.13Å; C80-P82 VanDerWaalsContact C-CD 3.47Å; P82-W84 VanDerWaalsContact C-N 3.27Å; P82-W84 PolarHBondContact O-N 2.96Å; P82-K85 PolarHBondContact O-N 2.95Å
83C46.6Very low56.5Low98 Ų98129.1 Ų129.166%0.66266%0.663SS**G310 helixtrans-73.7-13.5-177.4-67.90000114.1C80C80-C83 PolarHBondContact O-N 3.33Å
84W48.9Very low53.5Low234 Ų234130.2 Ų130.289%0.88668%0.675SS**G310 helixtrans-103.83.7177.6-76.9-9.4000114.6P82P82-W84 VanDerWaalsContact C-N 3.27Å; P82-W84 PolarHBondContact O-N 2.96Å
85K44.2Very low50.5Low187 Ų187130.2 Ų130.281%0.81368%0.684SS**SBendtrans-111.214.4177.2-123.2-164.9-179.8-164.30115.9P82P82-K85 PolarHBondContact O-N 2.95Å
86S42.9Very low47.7Very low84 Ų84134.1 Ų134.159%0.58770%0.702SS**SBendtrans-14085.417652.70000113.8
87K34.2Very low45.6Very low191 Ų191132.7 Ų132.783%0.8371%0.707SS**  trans178.5116.6132.8-97.9151.8-175.6174.30112
88P36.4Very low42.9Very low121 Ų121133.3 Ų133.379%0.78672%0.717SS**  trans-71.3136.9151.731.5-30.5000108.5
89V31.8Very low40.2Very low136 Ų136131.8 Ų131.882%0.82472%0.722SS**  trans-107.191.8173.5179.70000108.4
90T29.2Very low37.8Very low132 Ų132133.6 Ų133.681%0.8173%0.731SS**  trans-76.6127.2157.1330000108.6
91S32Very low36Very low101 Ų101136.3 Ų136.371%0.70675%0.75SS**  trans-65.2139.1166.450.20000110.4
92N28.4Very low34.5Very low169 Ų169133.5 Ų133.590%0.90475%0.754SS**  trans-162153.3139.3-98.8-17000111.5
93V31.6Very low33.8Very low130 Ų130134.1 Ų134.179%0.78877%0.767SS**  trans-126139.1-173.1158.90000108.8
94T29Very low33.8Very low128 Ų128135.3 Ų135.379%0.78577%0.773SS**  trans78.3118.1168.5-490000119.3
95T28Very low32.8Very low122 Ų122129.8 Ų129.875%0.74877%0.765SS**  trans-90.1126159.518.80000109.9
96L28.8Very low32Very low151 Ų151129.3 Ų129.379%0.79177%0.766SS**  73.8159.297.1-107.689.8000115.4
97P46.1Very low31.3Very low106 Ų106130.1 Ų130.169%0.68877%0.767SS**  cis-137.5179.929.141.1-21.7000119.5
98Q26.3Very low31Very low179 Ų179128.7 Ų128.784%0.83676%0.761SS**  trans101.7133.6170.3-60.6179.9-3.200115.5
99S25.2Very low30.6Very low96 Ų96130.2 Ų130.267%0.67176%0.758SS**  cis-167.5149.4-5.1510000113.5
100I27.4Very low30.2Very low160 Ų160128.2 Ų128.282%0.82175%0.746SS**  trans63.6109148.3-60.3155.9000119.7
101S27.6Very low30.1Very low100 Ų100129.9 Ų129.970%0.69975%0.745SS**  159.5137.6102.1-154.60000115.7
102S28.7Very low30Very low98 Ų98131.2 Ų131.269%0.68574%0.74SS**  trans28.6113.6147.459.60000121.4
103A36.2Very low30Very low94 Ų94130.4 Ų130.478%0.77773%0.728SS**  96.4165.673.800000112.4
104P46.9Very low29.7Very low122 Ų122132.2 Ų132.279%0.79273%0.725SS**  -128.1-146.8-106.335-11.7000113.2
105T28.1Very low29.6Very low119 Ų119132.1 Ų132.173%0.7372%0.716SS**  trans119.199.5173.3-59.60000109.9
106E28.2Very low29.6Very low176 Ų176132.6 Ų132.682%0.82271%0.713SS**  69.3145.387.2-73.1-162.4174.100112.9
107V27.7Very low29.5Very low101 Ų101133.1 Ų133.161%0.61271%0.709SS**  cis-167.3150.82.3113.90000109.4
108F27.9Very low28.6Very low162 Ų162135 Ų13571%0.71171%0.708SS**  trans65.6133.6157.9-82.3-124.4000118.8
109E27.3Very low28.5Very low153 Ų153133.1 Ų133.172%0.71570%0.704SS**  66.5141.768.8-78.4-168.1-151.700112.8
110T24.8Very low28.6Very low94 Ų94137.8 Ų137.858%0.57772%0.715SS**  cis-166.8153.610-111.20000109.4
111E27Very low28.7Very low167 Ų167139.4 Ų139.478%0.7872%0.716SS**  trans34.4163.8149.5-58.2-178.2154.800122.3
112E28Very low29.1Very low129 Ų129140.4 Ų140.460%0.60372%0.72SS**  cis-164.6178.72.6-136.3-165.4139.400111
113K28.7Very low29.1Very low151 Ų151140.3 Ų140.366%0.65773%0.726SS**  trans72.1122.4153.1-77.2156.7-179.9143.40118.6
114K26Very low28.8Very low168 Ų168142.8 Ų142.873%0.7373%0.73SS**  70.4138.173.8-75.3-167.4160.9-146.30112.4
115E26.3Very low27.9Very low127 Ų127148.2 Ų148.259%0.59374%0.735SS**  cis-164.7161.610.2-120170.1-170.200110.9
116I28.5Very low28Very low131 Ų131147.2 Ų147.267%0.67274%0.739SS**  trans52.1109142.8-62.4162.4000117.1
117K26.1Very low28.2Very low163 Ų163146.5 Ų146.571%0.70974%0.739SS**  168175.277.6-125.5169.1-175.5-1200107.9
118E27Very low28.5Very low146 Ų146150.3 Ų150.368%0.68275%0.75SS**  cis-152168.3-5.6-166.5122.6-115.200111
119N24Very low28.8Very low139 Ų139148.1 Ų148.174%0.74375%0.752SS**  trans-17123.6160.9-165.936.9000121.6
120E27.6Very low29.1Very low194 Ų194145.6 Ų145.691%0.90776%0.758SS**  trans-156.6156.6136.1-124.8175.5-161.400112
121K31Very low29.6Very low193 Ų193147.6 Ų147.684%0.83976%0.763SS**  trans-109.9167.2-168.4-102.7-170.6177175.50113.1
122P34.3Very low30Very low122 Ų122150 Ų15079%0.79277%0.771SS**PPolyproline II helix-98.7148.4-126.536.8-37.9000116
123A28.8Very low30.4Very low96 Ų96150.6 Ų150.679%0.79378%0.777SS**PPolyproline II helixtrans-95.7144.8161.800000111.6R125A123-R125 PolarHBondContact O-N 3.06Å
124V29.8Very low30.9Very low145 Ų145148.1 Ų148.188%0.87978%0.779SS**PPolyproline II helixtrans-62.6123.4-170.91790000112.4
125R29.1Very low31.9Very low237 Ų237149.5 Ų149.589%0.89479%0.787SS**  trans-92.3110.7165.5-72.4-174178.2179.2-0.4110A123A123-R125 PolarHBondContact O-N 3.06Å
126A30.5Very low33.1Very low97 Ų97149.4 Ų149.480%0.80280%0.795SS**PPolyproline II helixtrans-69.9139.4164.900000109.7
127I32.7Very low33.7Very low161 Ų161148.5 Ų148.583%0.82680%0.801SS**PPolyproline II helixtrans-92.2118.5-178.7-64.2166.9000108.5P129I127-P129 WeakPolarHBondContact O-CD 3.27Å
128E32.8Very low34.9Very low182 Ų182146.4 Ų146.485%0.8580%0.804SS**PPolyproline II helixtrans-76.1123.9165.2-76.1-171.4128.800110.3A130E128-A130 PolarHBondContact O-N 3.36Å; E128-A130 VanDerWaalsContact O-N 3.12Å
129P34.8Very low36.1Very low115 Ų115147.3 Ų147.375%0.74781%0.814SS**  trans-79.392.1169.531.4-32000110.1I127 I131I127-P129 WeakPolarHBondContact O-CD 3.27Å; P129-I131 PolarHBondContact O-N 3.43Å
130A34.4Very low37.6Very low101 Ų101145.6 Ų145.684%0.83580%0.803SS**  trans-70.496.5173.400000111.4E128E128-A130 PolarHBondContact O-N 3.36Å; E128-A130 VanDerWaalsContact O-N 3.12Å
131I34.8Very low39.4Very low136 Ų136139.9 Ų139.970%0.69778%0.783SS**  trans-124.196.8165.3-60.3-179.7000108.3P129 I133P129-I131 PolarHBondContact O-N 3.43Å; I131-I133 HydrophobicContact CG2-CD1 3.85Å; I131-I133 HydrophobicContact CG2-CG1 3.82Å
132K34.3Very low40.8Very low217 Ų217134 Ų13494%0.94377%0.771SS**  trans-104110.5162.6-79.2-172.8175.5-177.70108.4
133I36.1Very low42Very low141 Ų141135.2 Ų135.272%0.72377%0.765SS**  trans-108.5136.2169.9-59172.1000107.4I131I131-I133 HydrophobicContact CG2-CD1 3.85Å; I131-I133 HydrophobicContact CG2-CG1 3.82Å
134S39.5Very low43.4Very low99 Ų99134.4 Ų134.469%0.69275%0.751SS**  trans59.2119.1169.753.80000119.1T136S134-T136 PolarHBondContact O-N 3.49Å
135H47.7Very low44.6Very low198 Ų198133.3 Ų133.392%0.91774%0.736SS**SBendtrans-79.188.1157.9-77.1-105.4000110.6
136T51.6Low46.2Very low124 Ų124126.2 Ų126.276%0.76172%0.719SS**  trans-170.583.1156.943.40000110.5S134S134-T136 PolarHBondContact O-N 3.49Å
137S39.9Very low47.7Very low112 Ų112124.3 Ų124.378%0.78370%0.703SS**  trans-160.8142.1163-850000109.1
138P52.4Low48.9Very low119 Ų119122.2 Ų122.277%0.77369%0.693SS**PPolyproline II helixtrans-70.9146.6174.229.7-33.7000111.4I140P138-I140 PolarHBondContact O-N 3.42Å
139D51.8Low50.1Low166 Ų166120.3 Ų120.389%0.88868%0.682SS**PPolyproline II helixtrans-63.5127.4-179-72.8-55.7000112.2
140I55Low51.2Low103 Ų103119.7 Ų119.753%0.52867%0.669SS.*PPolyproline II helixtrans-81.1122.2174.6-63.1172.8000108.4P138 V144 Q145P138-I140 PolarHBondContact O-N 3.42Å; I140-V144 HydrophobicContact CG2-CB 3.74Å; I140-V144 HydrophobicContact CG2-CG1 3.88Å; I140-V144 HydrophobicContact CG2-CG2 4.44Å; I140-Q145 HydrophobicContact CG2-CG 4.29Å; I140-Q145 PolarHBondContact O-NE2 3.42Å; I140-Q145 VanDerWaalsContact O-NE2 3.08Å
141P66.6Low52.2Low74 Ų74120.7 Ų120.748%0.48166%0.656SS.*PPolyproline II helixtrans-52.9144.6-179.2-28.335.5000113.5E143 V144P141-E143 PolarHBondContact O-N 2.98Å; P141-E143 VanDerWaalsContact O-N 3.11Å; P141-V144 PolarHBondContact O-N 3.03Å
142A60.5Low53Low70 Ų70119.9 Ų119.958%0.57965%0.653SS**Hα-helixtrans-56.2-33.1-17400000113V144 Q145 T146A142-V144 VanDerWaalsContact C-N 3.31Å; A142-V144 PolarHBondContact O-N 3.28Å; A142-Q145 PolarHBondContact O-N 3.04Å; A142-T146 PolarHBondContact O-N 2.96Å; A142-T146 PolarHBondContact O-OG1 3.14Å; A142-T146 VanDerWaalsContact O-OG1 3.11Å
143E59.3Low53.9Low146 Ų146114.7 Ų114.768%0.68263%0.634SS**Hα-helixtrans-56.8-40.5176.7-63.4107.6-13900113P141 T146 A147P141-E143 PolarHBondContact O-N 2.98Å; P141-E143 VanDerWaalsContact O-N 3.11Å; E143-T146 VanDerWaalsContact C-OG1 3.31Å; E143-T146 VanDerWaalsContact CA-OG1 3.32Å; E143-T146 WeakPolarHBondContact CA-OG1 3.34Å; E143-T146 PolarHBondContact O-N 3.1Å; E143-T146 PolarHBondContact O-OG1 3.23Å; E143-A147 WeakPolarHBondContact O-CB 3.49Å; E143-A147 PolarHBondContact O-N 3Å
144V57Low54.5Low80 Ų80114.3 Ų114.349%0.48563%0.627SS.*Hα-helixtrans-72.7-34.7-179.2-178.80000110.9I140 P141 A142 A147 L148I140-V144 HydrophobicContact CG2-CB 3.74Å; I140-V144 HydrophobicContact CG2-CG1 3.88Å; I140-V144 HydrophobicContact CG2-CG2 4.44Å; P141-V144 PolarHBondContact O-N 3.03Å; A142-V144 VanDerWaalsContact C-N 3.31Å; A142-V144 PolarHBondContact O-N 3.28Å; V144-A147 PolarHBondContact O-N 2.97Å; V144-L148 WeakPolarHBondContact O-CB 3.42Å; V144-L148 PolarHBondContact O-N 3.09Å
145Q56.5Low54.9Low122 Ų122115.6 Ų115.657%0.5762%0.622SS**Hα-helixtrans-68.8-38.7175.4-57.4-17123.500111.4I140 A142 K149I140-Q145 HydrophobicContact CG2-CG 4.29Å; I140-Q145 PolarHBondContact O-NE2 3.42Å; I140-Q145 VanDerWaalsContact O-NE2 3.08Å; A142-Q145 PolarHBondContact O-N 3.04Å; Q145-K149 VanDerWaalsContact O-CB 3.3Å; Q145-K149 WeakPolarHBondContact O-CB 3.25Å; Q145-K149 PolarHBondContact O-N 3.02Å
146T62.5Low54.8Low88 Ų88110.1 Ų110.154%0.5461%0.611SS.*Hα-helixtrans-65.4-41.4171.241.10000112.3A142 E143 L148 K149 E150A142-T146 PolarHBondContact O-N 2.96Å; A142-T146 PolarHBondContact O-OG1 3.14Å; A142-T146 VanDerWaalsContact O-OG1 3.11Å; E143-T146 VanDerWaalsContact C-OG1 3.31Å; E143-T146 VanDerWaalsContact CA-OG1 3.32Å; E143-T146 WeakPolarHBondContact CA-OG1 3.34Å; E143-T146 PolarHBondContact O-N 3.1Å; E143-T146 PolarHBondContact O-OG1 3.23Å; T146-L148 PolarHBondContact O-N 3.35Å; T146-K149 PolarHBondContact O-N 3.34Å; T146-E150 WeakPolarHBondContact O-CB 3.34Å; T146-E150 PolarHBondContact O-N 3.12Å
147A62.3Low54.6Low57 Ų57115.4 Ų115.447%0.47162%0.617SS.*Hα-helixtrans-62.6-43.6176.900000112.1E143 V144 K149 E150 H151E143-A147 WeakPolarHBondContact O-CB 3.49Å; E143-A147 PolarHBondContact O-N 3Å; V144-A147 PolarHBondContact O-N 2.97Å; A147-K149 PolarHBondContact O-N 2.86Å; A147-E150 PolarHBondContact O-N 3.34Å; A147-H151 WeakPolarHBondContact O-CB 3.32Å; A147-H151 PolarHBondContact O-N 2.62Å
148L58.1Low54.7Low117 Ų117115.1 Ų115.161%0.61361%0.61SS**Hα-helixtrans-64.3-40.8176.4-162.477.1000111.7V144 T146 H151 L152V144-L148 WeakPolarHBondContact O-CB 3.42Å; V144-L148 PolarHBondContact O-N 3.09Å; T146-L148 PolarHBondContact O-N 3.35Å; L148-H151 PolarHBondContact O-N 3.14Å; L148-L152 HydrophobicContact CG-CD1 4.36Å; L148-L152 WeakPolarHBondContact O-CB 3.49Å; L148-L152 WeakPolarHBondContact O-CG 3.44Å; L148-L152 PolarHBondContact O-N 2.83Å
149K57.3Low54.2Low141 Ų141118.2 Ų118.261%0.61361%0.614SS**Hα-helixtrans-65.8-39.9176.9-166.9175.4-174.9178.30111.8Q145 T146 A147 L152 I153Q145-K149 VanDerWaalsContact O-CB 3.3Å; Q145-K149 WeakPolarHBondContact O-CB 3.25Å; Q145-K149 PolarHBondContact O-N 3.02Å; T146-K149 PolarHBondContact O-N 3.34Å; A147-K149 PolarHBondContact O-N 2.86Å; K149-L152 PolarHBondContact O-N 2.86Å; K149-I153 HydrophobicContact CG-CD1 4.1Å; K149-I153 WeakPolarHBondContact O-CB 3.38Å; K149-I153 WeakPolarHBondContact O-CD1 3.34Å; K149-I153 VanDerWaalsContact O-CG1 3.22Å; K149-I153 WeakPolarHBondContact O-CG1 3.4Å; K149-I153 PolarHBondContact O-N 2.79Å
150E57.8Low53.6Low103 Ų103121.2 Ų121.248%0.48161%0.613SS.*Hα-helixtrans-70-37.3176.3-157.4-171.8160.700111.9T146 A147 I153 K154T146-E150 WeakPolarHBondContact O-CB 3.34Å; T146-E150 PolarHBondContact O-N 3.12Å; A147-E150 PolarHBondContact O-N 3.34Å; E150-I153 PolarHBondContact O-N 3.04Å; E150-K154 HydrophobicContact CG-CD 4.49Å; E150-K154 WeakPolarHBondContact O-CB 3.27Å; E150-K154 WeakPolarHBondContact O-CG 3.26Å; E150-K154 PolarHBondContact O-N 3.1Å; E150-K154 WeakPolarHBondContact OE1-CE 3.22Å; E150-K154 IonicContact OE1-NZ 3.44Å; E150-K154 PolarHBondContact OE1-NZ 3.46Å
151H54.4Low53.1Low122 Ų122124.5 Ų124.557%0.56563%0.626SS**Hα-helixtrans-66.1-40.9174.1-144.9-107.3000111.7A147 L148 K154 H155A147-H151 WeakPolarHBondContact O-CB 3.32Å; A147-H151 PolarHBondContact O-N 2.62Å; L148-H151 PolarHBondContact O-N 3.14Å; H151-K154 PolarHBondContact O-N 2.66Å; H151-H155 AromaticContact CE1-CD2 3.96Å; H151-H155 AromaticContact CE1-NE2 3.74Å; H151-H155 AromaticContact ND1-CD2 3.82Å; H151-H155 PolarHBondContact O-CD2 2.95Å; H151-H155 PolarHBondContact O-N 3.47Å
152L51.7Low51.7Low118 Ų118128.7 Ų128.762%0.61864%0.643SS**Hα-helixtrans-63.3-40.4172.6-83.3160.9000112.5L148 K149 H155 A156L148-L152 HydrophobicContact CG-CD1 4.36Å; L148-L152 WeakPolarHBondContact O-CB 3.49Å; L148-L152 WeakPolarHBondContact O-CG 3.44Å; L148-L152 PolarHBondContact O-N 2.83Å; K149-L152 PolarHBondContact O-N 2.86Å; L152-H155 PolarHBondContact O-N 3.22Å; L152-A156 WeakPolarHBondContact O-CB 3.48Å; L152-A156 PolarHBondContact O-N 2.87Å
153I53.2Low50.9Low109 Ų109131 Ų13156%0.55965%0.65SS**Hα-helixtrans-69.8-37.7177.4-69.8164.8000111.5K149 E150 H155 A156K149-I153 HydrophobicContact CG-CD1 4.1Å; K149-I153 WeakPolarHBondContact O-CB 3.38Å; K149-I153 WeakPolarHBondContact O-CD1 3.34Å; K149-I153 VanDerWaalsContact O-CG1 3.22Å; K149-I153 WeakPolarHBondContact O-CG1 3.4Å; K149-I153 PolarHBondContact O-N 2.79Å; E150-I153 PolarHBondContact O-N 3.04Å; I153-H155 VanDerWaalsContact C-N 3.34Å; I153-A156 PolarHBondContact O-N 3Å
154K49.9Very low50.1Low132 Ų132132 Ų13257%0.57466%0.655SS**Hα-helixtrans-66.4-33.8174.1-74172.5-175.6168.20112.3E150 H151E150-K154 HydrophobicContact CG-CD 4.49Å; E150-K154 WeakPolarHBondContact O-CB 3.27Å; E150-K154 WeakPolarHBondContact O-CG 3.26Å; E150-K154 PolarHBondContact O-N 3.1Å; E150-K154 WeakPolarHBondContact OE1-CE 3.22Å; E150-K154 IonicContact OE1-NZ 3.44Å; E150-K154 PolarHBondContact OE1-NZ 3.46Å; H151-K154 PolarHBondContact O-N 2.66Å
155H48.4Very low49.6Very low127 Ų127134.5 Ų134.559%0.58867%0.673SS**Hα-helixtrans-79.1-13.9171.3-82.6-76.7000114.8H151 L152 I153 R157H151-H155 AromaticContact CE1-CD2 3.96Å; H151-H155 AromaticContact CE1-NE2 3.74Å; H151-H155 AromaticContact ND1-CD2 3.82Å; H151-H155 PolarHBondContact O-CD2 2.95Å; H151-H155 PolarHBondContact O-N 3.47Å; L152-H155 PolarHBondContact O-N 3.22Å; I153-H155 VanDerWaalsContact C-N 3.34Å; H155-R157 VanDerWaalsContact C-N 3.29Å; H155-R157 PolarHBondContact O-N 2.8Å
156A44Very low48.7Very low82 Ų82135.1 Ų135.168%0.67869%0.685SS**THydrogen-bonded Turntrans-80.5-4175.100000114.1L152 I153L152-A156 WeakPolarHBondContact O-CB 3.48Å; L152-A156 PolarHBondContact O-N 2.87Å; I153-A156 PolarHBondContact O-N 3Å
157R48.8Very low47.4Very low235 Ų235136.1 Ų136.189%0.88770%0.695SS**THydrogen-bonded Turntrans-115.351172.6-94.2-176169.2168.5-3112.6H155H155-R157 VanDerWaalsContact C-N 3.29Å; H155-R157 PolarHBondContact O-N 2.8Å
158V41.5Very low46.2Very low106 Ų106139 Ų13964%0.64271%0.712SS**  trans-120.8111.2158.6-1800000108.5R160V158-R160 PolarHBondContact O-N 2.72Å
159Q42.7Very low45.3Very low184 Ų184138.9 Ų138.986%0.8672%0.721SS**  trans-70.697.3180-174.6166.6-13.300109.5Q161Q159-Q161 PolarHBondContact O-N 2.83Å
160R38.6Very low44.4Very low229 Ų229143.2 Ų143.286%0.86473%0.734SS**  trans-67.895.1170.8-75.7-174.5174.5-178.7-1.6109.2V158 I162V158-R160 PolarHBondContact O-N 2.72Å; R160-I162 PolarHBondContact O-N 3.43Å
161Q44.2Very low43.3Very low172 Ų172147.3 Ų147.380%0.80475%0.753SS**  trans-56.5120.3154.9-91177.1-50.700108Q159Q159-Q161 PolarHBondContact O-N 2.83Å
162I36.2Very low42.4Very low162 Ų162148.6 Ų148.683%0.83176%0.763SS**  trans-94.497.4169.2-58.4171.6000105.9R160R160-I162 PolarHBondContact O-N 3.43Å
163T44.8Very low41.6Very low120 Ų120147.9 Ų147.974%0.73677%0.768SS**  trans-77.7131.8164.749.60000108.8
164E42.5Very low40.8Very low167 Ų167152.1 Ų152.178%0.7878%0.783SS**  trans-59.9146.7176.2-58-177.3150.300111.7T166E164-T166 PolarHBondContact O-N 3.26Å
165P46.3Very low40.2Very low132 Ų132156.4 Ų156.486%0.85780%0.796SS**  trans-71.3101.8171.429.5-32.4000109.9S167P165-S167 PolarHBondContact O-N 2.98Å
166T38.2Very low39.8Very low135 Ų135161.2 Ų161.283%0.82881%0.808SS**  trans-58127.6175.1-48.20000111.1E164 S168E164-T166 PolarHBondContact O-N 3.26Å; T166-S168 PolarHBondContact O-N 3.07Å
167S35.1Very low39.3Very low108 Ų108165.1 Ų165.176%0.75581%0.813SS**  trans-67.7125.6174.650.10000111.2P165 S169P165-S167 PolarHBondContact O-N 2.98Å; S167-S169 PolarHBondContact O-N 3.34Å
168S36.9Very low38.9Very low117 Ų117161.8 Ų161.882%0.81881%0.811SS**  trans-73108.8178178.90000111.1T166 R170T166-S168 PolarHBondContact O-N 3.07Å; S168-R170 PolarHBondContact O-N 2.95Å
169S38Very low38.9Very low115 Ų115162.8 Ų162.880%0.80482%0.82SS**  trans-79.5101.1176.649.90000111.6S167S167-S169 PolarHBondContact O-N 3.34Å
170R38.5Very low38.4Very low233 Ų233165 Ų16588%0.87982%0.82SS**  trans-152.261.7170.6-123.6179.7-167.1-164.54.4116.2S168S168-R170 PolarHBondContact O-N 2.95Å
171H35.1Very low38.2Very low189 Ų189160.8 Ų160.888%0.87581%0.811SS**  trans-144.2120.6142-140.972000111.6
172N36.1Very low37.5Very low148 Ų148159.1 Ų159.179%0.79180%0.804SS**  trans-85.9148.8-179.2-94.7-24.7000111.3
173S35.1Very low37.1Very low103 Ų103158.2 Ų158.272%0.7280%0.797SS**  trans-61.1130.7177.853.70000113.8
174F37Very low36.3Very low199 Ų199158.3 Ų158.387%0.87380%0.797SS**  trans-105.787.3155.2-93-78000110.7R176F174-R176 PolarHBondContact O-N 2.75Å
175R36.5Very low35.7Very low221 Ų221155.1 Ų155.183%0.83479%0.793SS**  trans-87.796.8168.6-165.7-179.8-163.8166.64.5107.8
176R39.6Very low35.3Very low228 Ų228153.8 Ų153.886%0.8679%0.787SS**PPolyproline II helixtrans-81.6132.7167.5-87.7-171.3-179.9169.42.8109.9F174F174-R176 PolarHBondContact O-N 2.75Å
177H34.4Very low35.1Very low165 Ų165154.3 Ų154.376%0.76479%0.79SS**PPolyproline II helixtrans-76.9140.6-173.8-65.2-107.8000111.1
178L39.3Very low35Very low164 Ų164156.1 Ų156.186%0.85979%0.791SS**PPolyproline II helixtrans-70.8132.6157.2-8682.3000109R180L178-R180 PolarHBondContact O-N 3.37Å
179P40.9Very low34.7Very low127 Ų127160.5 Ų160.583%0.82580%0.795SS**PPolyproline II helixtrans-70.6123.7158.2-13.730000109.6
180R34.2Very low34.4Very low230 Ų230159.7 Ų159.787%0.86879%0.79SS**PPolyproline II helixtrans-69.8149.8162.9-172.2-176.7-173.5177.61.6108.5L178L178-R180 PolarHBondContact O-N 3.37Å
181Q34Very low34.1Very low142 Ų142157.7 Ų157.766%0.66479%0.793SS**  140.8133.6118.9-169.7162.2-19.800115.7
182M29Very low33.9Very low136 Ų136151.6 Ų151.667%0.6778%0.781SS**  trans69.6143.5155.1-82.9167.7161.600118.4
183Q27.6Very low33.7Very low144 Ų144151.5 Ų151.567%0.67379%0.786SS**  cis-170160.6-9.3-136.2174.9-29.500109.6
184V28.8Very low33.7Very low122 Ų122154.2 Ų154.274%0.73979%0.787SS**  trans62.9138.4144.8159.80000117.9
185S28.7Very low34Very low100 Ų100149.9 Ų149.970%0.69978%0.779SS**  cis-162166.6-8.546.80000110.7
186S39.1Very low33.7Very low104 Ų104144.6 Ų144.673%0.72777%0.771SS**  trans-56.2145.616751.40000115.1
187V34Very low33.4Very low146 Ų146140.9 Ų140.989%0.88577%0.767SS**  -159.3140.2123.9-1070000111.2
188D33.3Very low33.3Very low145 Ų145140.7 Ų140.778%0.77577%0.767SS**  trans-72.6161.4166-55.5-74.4000111.6
189F29.6Very low33Very low209 Ų209144.2 Ų144.292%0.91777%0.769SS**  -170.8158.4119.6-117.5-87.2000112.4
190S32.7Very low32.4Very low98 Ų98141.7 Ų141.769%0.68577%0.766SS**  trans-98167.4-160.5-51.60000116.2
191M31.3Very low32.4Very low192 Ų192139.5 Ų139.595%0.94677%0.765SS**  trans86.1128.1138-162.3175.9-67.300119.7
192G30Very low32.5Very low60 Ų60138.3 Ų138.362%0.61977%0.768SS**  trans133.2102.9136.800000119.3
193T32.8Very low32.9Very low146 Ų146138.4 Ų138.490%0.89678%0.776SS**  trans62.9118.4136-0.10000122.1
194E34.4Very low33.7Very low160 Ų160138.1 Ų138.175%0.74879%0.785SS**  trans-48.2150.8145.2-87.9-75.1140.800111.7
195P44.3Very low34.3Very low109 Ų109137.7 Ų137.771%0.70879%0.787SS**  -158.5154.373.642.8-21.7000120.2
196V29.7Very low35.4Very low110 Ų110141.4 Ų141.467%0.66780%0.797SS**  69.4113.8127.7173.80000122.6
197L34.3Very low36.1Very low150 Ų150139.7 Ų139.779%0.78580%0.796SS**  trans64119137.2-70.4179.1000125.4
198Q32.2Very low36.8Very low160 Ų160144.3 Ų144.375%0.74880%0.798SS**  107.5113.9114.5-168.3164.587.400122.6
199R31.7Very low37.8Very low238 Ų238143.5 Ų143.590%0.89879%0.792SS**  trans67.5124.8141.6-172.9-175.5-73.3-152.6-0.8120.6
200G28.6Very low38.7Very low74 Ų74140.5 Ų140.576%0.76378%0.779SS**  trans160.6111.9155.700000116
201E33.8Very low39.7Very low185 Ų185140.4 Ų140.486%0.86478%0.775SS**  trans-54.5159.9162.1-75.3166.2138.800112.5
202T37.5Very low40.9Very low117 Ų117137.4 Ų137.472%0.71876%0.759SS**  cis-159.4-176.111.319.10000110
203T36.5Very low41.7Very low138 Ų138141.2 Ų141.285%0.84776%0.764SS**  trans109.4140.915972.60000117.3
204T45.6Very low42.2Very low138 Ų138142.6 Ų142.685%0.84776%0.755SS**  trans-86.6131.7-159.544.70000113.6
205S41.1Very low42.6Very low112 Ų112141.8 Ų141.878%0.78375%0.749SS**  trans-133104.2152.246.10000110.3
206I50.3Low42.5Very low178 Ų178145.4 Ų145.491%0.91376%0.756SS**THydrogen-bonded Turntrans-65.3135.5170.3-77.8162.3000108.4
207G54Low42.7Very low69 Ų69151.1 Ų151.171%0.71177%0.766SS**THydrogen-bonded Turntrans125-1.9168.400000117.7I209G207-I209 PolarHBondContact O-N 3.03Å
208R50.1Low42.8Very low243 Ų243147.9 Ų147.992%0.91776%0.755SS**  trans-81.7112.6172.6-116.8179.5-178.5173.50.8111.3K210R208-K210 PolarHBondContact O-N 2.74Å
209I53.8Low43.1Very low127 Ų127147 Ų14765%0.65176%0.761SS**  trans-58.2124.5170.7-63.2173.9000108.8G207 P211 Y214G207-I209 PolarHBondContact O-N 3.03Å; I209-P211 WeakPolarHBondContact O-CD 3.45Å; I209-Y214 HydrophobicContact CG2-CD2 3.61Å; I209-Y214 HydrophobicContact CG2-CE2 3.62Å
210K48.8Very low43.3Very low147 Ų147141.8 Ų141.864%0.63975%0.751SS**  trans-78.4116.4170.3-72.7-175.8176.4-179.60108.8R208 E212 L213R208-K210 PolarHBondContact O-N 2.74Å; K210-E212 PolarHBondContact O-N 3.36Å; K210-L213 HydrophobicContact CB-CD1 4.36Å; K210-L213 PolarHBondContact O-N 3.16Å
211P53.9Low43.8Very low95 Ų95143.5 Ų143.562%0.61775%0.751SS**G310 helixtrans-63.3-24.3178.724.8-33.2000112.7I209 L213 Y214 K215I209-P211 WeakPolarHBondContact O-CD 3.45Å; P211-L213 PolarHBondContact O-N 3.43Å; P211-Y214 CarbonylContact O-C 3.46Å; P211-Y214 PolarHBondContact O-N 3.14Å; P211-K215 PolarHBondContact O-N 3.03Å; P211-K215 VanDerWaalsContact O-N 3.17Å
212E56.2Low43.8Very low130 Ų130143.5 Ų143.561%0.60775%0.751SS**G310 helixtrans-63.5-21.4173.7-56.1-55.4145.200114.1K210 K215K210-E212 PolarHBondContact O-N 3.36Å; E212-K215 VanDerWaalsContact CD-NZ 3.35Å; E212-K215 IonicContact OE1-NZ 3.58Å; E212-K215 PolarHBondContact OE1-NZ 3.37Å; E212-K215 WeakPolarHBondContact OE2-CE 3.48Å; E212-K215 IonicContact OE2-NZ 3.93Å; E212-K215 PolarHBondContact OE2-NZ 3.11Å
213L45.7Very low43.6Very low139 Ų139141.7 Ų141.773%0.72876%0.756SS**G310 helixtrans-86.7-10173.3-88.1164.3000113.4K210 P211K210-L213 HydrophobicContact CB-CD1 4.36Å; K210-L213 PolarHBondContact O-N 3.16Å; P211-L213 PolarHBondContact O-N 3.43Å
214Y44.4Very low43.4Very low176 Ų176141.3 Ų141.369%0.6975%0.749SS**  trans-118.316.5178.9-71.3-90.8000112.5I209 P211 Q216I209-Y214 HydrophobicContact CG2-CD2 3.61Å; I209-Y214 HydrophobicContact CG2-CE2 3.62Å; P211-Y214 CarbonylContact O-C 3.46Å; P211-Y214 PolarHBondContact O-N 3.14Å; Y214-Q216 PolarHBondContact O-N 3.04Å
215K42.9Very low42.8Very low143 Ų143143.6 Ų143.662%0.62275%0.75SS**  trans-66.491.6157.4-82.9176.8-179.71590107.8P211 E212 R217P211-K215 PolarHBondContact O-N 3.03Å; P211-K215 VanDerWaalsContact O-N 3.17Å; E212-K215 VanDerWaalsContact CD-NZ 3.35Å; E212-K215 IonicContact OE1-NZ 3.58Å; E212-K215 PolarHBondContact OE1-NZ 3.37Å; E212-K215 WeakPolarHBondContact OE2-CE 3.48Å; E212-K215 IonicContact OE2-NZ 3.93Å; E212-K215 PolarHBondContact OE2-NZ 3.11Å; K215-R217 PolarHBondContact O-N 3.31Å
216Q41.5Very low42.7Very low185 Ų185146.7 Ų146.786%0.86475%0.749SS**  trans-50.9102.1167.8-175.6171.4-29.400107.7Y214 S218Y214-Q216 PolarHBondContact O-N 3.04Å; Q216-S218 PolarHBondContact O-N 3.04Å; Q216-S218 VanDerWaalsContact O-N 3.17Å
217R34.7Very low42.3Very low229 Ų229145.5 Ų145.586%0.86474%0.74SS**  trans-50125.6163.3-93.2179.7168.9163.5-4.6105.8K215 V219K215-R217 PolarHBondContact O-N 3.31Å; R217-V219 PolarHBondContact O-N 2.82Å
218S35.2Very low41.9Very low82 Ų82150.3 Ų150.357%0.57375%0.749SS**  trans-49.6132.716037.50000106.9Q216 D220Q216-S218 PolarHBondContact O-N 3.04Å; Q216-S218 VanDerWaalsContact O-N 3.17Å; S218-D220 WeakPolarHBondContact CB-OD2 3.37Å; S218-D220 PolarHBondContact O-N 3.49Å; S218-D220 PolarHBondContact OG-OD2 3.13Å
219V39.9Very low42.3Very low141 Ų141142.3 Ų142.386%0.85573%0.727SS**  trans-77.467.1169.9-175.80000106.3R217 S221R217-V219 PolarHBondContact O-N 2.82Å; V219-S221 PolarHBondContact O-N 3.09Å
220D34.8Very low43.3Very low130 Ų130144 Ų14470%0.69573%0.73SS**  trans-70.6114160.9-65.9-55.1000105.4S218S218-D220 WeakPolarHBondContact CB-OD2 3.37Å; S218-D220 PolarHBondContact O-N 3.49Å; S218-D220 PolarHBondContact OG-OD2 3.13Å
221S39Very low45Very low110 Ų110140.8 Ų140.877%0.76972%0.722SS**  trans-40143.4-162.7-56.10000115.4V219V219-S221 PolarHBondContact O-N 3.09Å
222E34.3Very low46.7Very low185 Ų185137 Ų13786%0.86470%0.698SS**  trans-42.3141.3169.9-61.8176.6126.400111.7N224E222-N224 VanDerWaalsContact C-N 3.34Å; E222-N224 PolarHBondContact O-N 2.95Å
223G33.8Very low48.4Very low79 Ų79131.3 Ų131.381%0.81467%0.674SS**  trans-61.389-171.100000113.2Q225G223-Q225 PolarHBondContact O-N 3.45Å
224N31.4Very low50.8Low130 Ų130129 Ų12970%0.69566%0.658SS**  trans-61.9119.1155.3-166.426.8000106.4E222 K226E222-N224 VanDerWaalsContact C-N 3.34Å; E222-N224 PolarHBondContact O-N 2.95Å; N224-K226 PolarHBondContact O-N 2.93Å
225Q33.7Very low53.3Low186 Ų186120.6 Ų120.687%0.86963%0.625SS**  trans-68.478.4169.4-68-178.514.200107.8G223 E227G223-Q225 PolarHBondContact O-N 3.45Å; Q225-E227 PolarHBondContact O-N 2.83Å; Q225-E227 VanDerWaalsContact O-N 3.14Å
226K38.1Very low55.9Low176 Ų176114.1 Ų114.177%0.76560%0.597SS**  trans-66.3109157-74-172.9176-176.40105.1N224 D228N224-K226 PolarHBondContact O-N 2.93Å; K226-D228 PolarHBondContact O-N 2.75Å
227E41.9Very low58.6Low154 Ų154105.3 Ų105.372%0.7256%0.556SS**  trans-44.5139.6165.7-59.9173.515700108.8Q225 V229Q225-E227 PolarHBondContact O-N 2.83Å; Q225-E227 VanDerWaalsContact O-N 3.14Å; E227-V229 PolarHBondContact O-N 3.31Å
228D44.9Very low61.5Low170 Ų17094.6 Ų94.691%0.90952%0.516SS*.  trans-66.984.5172.7-81.1-44.8000108.4K226 K230K226-D228 PolarHBondContact O-N 2.75Å; D228-K230 VanDerWaalsContact C-N 3.34Å; D228-K230 PolarHBondContact O-N 3.08Å
229V58.5Low64.3Low75 Ų7590.7 Ų90.746%0.45549%0.489SS..  trans-62.698.5179.9-178.30000107.7E227 T231 H355E227-V229 PolarHBondContact O-N 3.31Å; V229-T231 PolarHBondContact O-N 2.9Å; V229-H355 HydrophobicContact CG1-CB 4.1Å; V229-H355 WeakPolarHBondContact CG1-ND1 3.4Å
230K76.1Confident66.9Low162 Ų16287.7 Ų87.770%0.70447%0.465SS*.  trans-52.8125-179.8-167.7179179.3177.60109.1D228 C356D228-K230 VanDerWaalsContact C-N 3.34Å; D228-K230 PolarHBondContact O-N 3.08Å; K230-C356 VanDerWaalsContact C-SG 3.57Å; K230-C356 HydrophobicContact CB-CB 4.36Å; K230-C356 WeakPolarHBondContact O-CB 3.4Å; K230-C356 PolarHBondContact O-N 2.95Å; K230-C356 PolarHBondContact O-SG 2.86Å
231T83.9Confident69.7Low80 Ų8081.8 Ų81.849%0.49143%0.433SS..EExtended strand (participates in β ladder)trans-91.6136.7177.452.10000110.1V229 D353 I354V229-T231 PolarHBondContact O-N 2.9Å; T231-D353 HydrophobicContact CG2-CB 4.02Å; T231-I354 CarbonylContact C-O 3.57Å; T231-I354 WeakPolarHBondContact CA-O 3.49Å
232C88.8Confident72.3Confident16 Ų1678.5 Ų78.511%0.10841%0.407CS..EExtended strand (participates in β ladder)trans-110.845.4-175.8-88.10000110.8P259 I330 I354 C356C232-P259 HydrophobicContact CB-CG 4.11Å; C232-P259 WeakPolarHBondContact O-CD 3.27Å; C232-I330 HydrophobicContact CB-CG2 4.07Å; C232-I330 PolarHBondContact SG-O 3Å; C232-I330 VanDerWaalsContact SG-O 3.4Å; C232-I354 HydrophobicContact CB-CG2 4.19Å; C232-I354 PolarHBondContact N-O 3.46Å; C232-C356 VanDerWaalsContact CA-SG 3.59Å; C232-C356 HydrophobicContact CB-CB 4Å; C232-C356 WeakPolarHBondContact CB-SG 3.24Å; C232-C356 PolarHBondContact N-SG 3.04Å; C232-C356 VanDerWaalsContact N-SG 3.41Å; C232-C356 WeakPolarHBondContact SG-CA 3.41Å; C232-C356 WeakPolarHBondContact SG-CB 3.47Å; C232-C356 CovalentContact SG-SG 2.03Å; C232-C356 PolarHBondContact SG-SG 3.34Å
233G93.3Very high75.1Confident9 Ų975.5 Ų75.59%0.09339%0.389CS..EExtended strand (participates in β ladder)trans93.9-162.8-176.100000113.5L256 D257 I354G233-L256 CarbonylContact C-O 3.38Å; G233-L256 WeakPolarHBondContact CA-O 3.48Å; G233-D257 WeakPolarHBondContact CA-O 3.24Å; G233-D257 PolarHBondContact N-O 3.35Å; G233-I354 PolarHBondContact O-N 2.61Å
234K96.1Very high77.9Confident90 Ų9080.3 Ų80.339%0.39139%0.39SS..EExtended strand (participates in β ladder)trans-134.3142.1-177.9-53.4-172.2-176-104.90111.6A255 L256 W351 K352 D353K234-A255 CarbonylContact O-C 3.05Å; K234-A255 WeakPolarHBondContact O-CA 3.48Å; K234-A255 WeakPolarHBondContact O-CB 3.37Å; K234-L256 PolarHBondContact N-O 3.34Å; K234-L256 PolarHBondContact O-N 2.86Å; K234-W351 HydrophobicContact CB-CE3 4.07Å; K234-W351 HydrophobicContact CB-CZ3 4.24Å; K234-K352 CarbonylContact C-O 3.42Å; K234-K352 WeakPolarHBondContact CA-O 3.35Å; K234-D353 WeakPolarHBondContact CD-OD1 3.21Å; K234-D353 WeakPolarHBondContact CE-OD1 3.26Å; K234-D353 WeakPolarHBondContact CG-OD1 3.1Å; K234-D353 IonicContact NZ-OD1 3.71Å; K234-D353 PolarHBondContact NZ-OD1 3.07Å
235L97.2Very high80.8Confident0 Ų079.1 Ų79.10%038%0.384CS..EExtended strand (participates in β ladder)trans-107.3136.9174.4-170.466.4000110.4F237 I252 A255 V271 F316 V333 W351 K352 I354L235-F237 HydrophobicContact CD2-CD1 4.15Å; L235-F237 HydrophobicContact CG-CD1 4.1Å; L235-I252 HydrophobicContact CD1-CG2 4.13Å; L235-A255 HydrophobicContact CD1-CB 4.07Å; L235-V271 HydrophobicContact CD1-CG2 4.18Å; L235-F316 HydrophobicContact CD2-CB 3.85Å; L235-F316 HydrophobicContact CD2-CD1 4.44Å; L235-F316 HydrophobicContact CD2-CD2 3.92Å; L235-F316 HydrophobicContact CD2-CG 3.82Å; L235-V333 HydrophobicContact CB-CG2 4.35Å; L235-V333 HydrophobicContact CD2-CG2 4.44Å; L235-W351 WeakPolarHBondContact O-CA 3.4Å; L235-K352 PolarHBondContact N-O 3.06Å; L235-K352 PolarHBondContact O-N 2.67Å; L235-I354 HydrophobicContact CB-CD1 4.18Å; L235-I354 HydrophobicContact CB-CG1 3.97Å
236N97.4Very high83.7Confident8 Ų875.6 Ų75.64%0.04337%0.367CS..EExtended strand (participates in β ladder)trans-118.2125.1174.5-178.2-16.8000110.1I253 K254 T349 V350 W351N236-I253 PolarHBondContact O-N 2.87Å; N236-K254 WeakPolarHBondContact CA-O 3.46Å; N236-K254 HydrophobicContact CB-CG 3.92Å; N236-K254 WeakPolarHBondContact CB-O 3.24Å; N236-K254 PolarHBondContact N-O 2.87Å; N236-K254 PolarHBondContact O-N 2.94Å; N236-T349 WeakPolarHBondContact OD1-CG2 3.15Å; N236-V350 WeakPolarHBondContact CA-O 3.26Å; N236-W351 HydrophobicContact CB-CD2 3.86Å; N236-W351 HydrophobicContact CB-CE3 3.72Å; N236-W351 HydrophobicContact CB-CH2 3.82Å; N236-W351 HydrophobicContact CB-CZ2 3.95Å; N236-W351 HydrophobicContact CB-CZ3 3.7Å; N236-W351 WeakPolarHBondContact ND2-CZ2 3.33Å; N236-W351 PolarHBondContact ND2-NE1 2.7Å
237F96.8Very high86.4Confident0 Ų068.6 Ų68.60%034%0.338CS..EExtended strand (participates in β ladder)trans-146.7158.617956.9-86.6000110.4L235 L239 K251 I252 F316 L335 V350 K352L235-F237 HydrophobicContact CD2-CD1 4.15Å; L235-F237 HydrophobicContact CG-CD1 4.1Å; F237-L239 HydrophobicContact CD2-CD2 3.93Å; F237-L239 HydrophobicContact CD2-CG 3.91Å; F237-L239 HydrophobicContact CE2-CD1 3.96Å; F237-L239 HydrophobicContact CE2-CD2 4.11Å; F237-L239 HydrophobicContact CE2-CG 3.85Å; F237-K251 CarbonylContact C-O 3.54Å; F237-K251 WeakPolarHBondContact CA-O 3.46Å; F237-K251 VanDerWaalsContact CB-O 3.23Å; F237-K251 WeakPolarHBondContact CB-O 3.42Å; F237-I252 HydrophobicContact CB-CD1 3.79Å; F237-F316 AromaticContact CD1-CE2 3.91Å; F237-F316 HydrophobicContact CD1-CE2 3.91Å; F237-F316 HydrophobicContact CD1-CZ 4.35Å; F237-F316 HydrophobicContact CD2-CE2 4.09Å; F237-F316 HydrophobicContact CD2-CZ 4.08Å; F237-F316 HydrophobicContact CE1-CD2 4.34Å; F237-F316 AromaticContact CE1-CE2 3.79Å; F237-F316 HydrophobicContact CE1-CE2 3.79Å; F237-F316 AromaticContact CE2-CE2 3.98Å; F237-F316 HydrophobicContact CE2-CE2 3.98Å; F237-F316 HydrophobicContact CE2-CZ 4.34Å; F237-F316 HydrophobicContact CG-CE2 4.08Å; F237-F316 HydrophobicContact CG-CZ 4.09Å; F237-F316 AromaticContact CZ-CE2 3.83Å; F237-F316 HydrophobicContact CZ-CE2 3.83Å; F237-L335 HydrophobicContact CE2-CD1 3.71Å; F237-L335 HydrophobicContact CZ-CD1 3.68Å; F237-L335 HydrophobicContact CZ-CD2 4.17Å; F237-L335 HydrophobicContact CZ-CG 4.43Å; F237-V350 HydrophobicContact CD2-CB 4.19Å; F237-V350 HydrophobicContact CE1-CB 4.42Å; F237-V350 HydrophobicContact CE1-CG1 4.15Å; F237-V350 HydrophobicContact CE2-CB 3.69Å; F237-V350 HydrophobicContact CE2-CG1 3.83Å; F237-V350 HydrophobicContact CE2-CG2 4.21Å; F237-V350 HydrophobicContact CZ-CB 3.81Å; F237-V350 HydrophobicContact CZ-CG1 3.47Å; F237-V350 VanDerWaalsContact CZ-CG1 3.47Å; F237-V350 PolarHBondContact N-O 2.85Å; F237-V350 VanDerWaalsContact N-O 3.13Å; F237-V350 PolarHBondContact O-N 3.25Å; F237-K352 HydrophobicContact CE1-CB 4.31Å; F237-K352 HydrophobicContact CE1-CG 4.16Å; F237-K352 HydrophobicContact CZ-CG 4.15Å
238T95.6Very high88.9Confident4 Ų461.2 Ų61.23%0.02530%0.304CS..EExtended strand (participates in β ladder)trans-108.2149.2166.353.60000110.8K251 I253 E347 A348 T349T238-K251 PolarHBondContact N-O 2.96Å; T238-K251 PolarHBondContact O-N 2.88Å; T238-K251 WeakPolarHBondContact OG1-CB 3.48Å; T238-I253 HydrophobicContact CG2-CD1 3.69Å; T238-E347 WeakPolarHBondContact CB-OE1 3.27Å; T238-E347 HydrophobicContact CG2-CG 3.75Å; T238-E347 PolarHBondContact OG1-OE1 2.93Å; T238-A348 VanDerWaalsContact CA-O 3.28Å; T238-A348 WeakPolarHBondContact CA-O 3.13Å; T238-A348 WeakPolarHBondContact CB-O 3.06Å; T238-T349 HydrophobicContact CG2-CG2 4.44Å
239L94.6Very high91.2Very high0 Ų054.2 Ų54.20%027%0.267CS..EExtended strand (participates in β ladder)trans-121.4138.6172.6-59.7178.8000108.9F237 V250 L314 L335 L338 L344 A348F237-L239 HydrophobicContact CD2-CD2 3.93Å; F237-L239 HydrophobicContact CD2-CG 3.91Å; F237-L239 HydrophobicContact CE2-CD1 3.96Å; F237-L239 HydrophobicContact CE2-CD2 4.11Å; F237-L239 HydrophobicContact CE2-CG 3.85Å; L239-V250 HydrophobicContact CD2-CB 4.29Å; L239-V250 HydrophobicContact CD2-CG1 3.99Å; L239-V250 HydrophobicContact CD2-CG2 3.84Å; L239-L314 HydrophobicContact CD2-CD2 3.6Å; L239-L335 HydrophobicContact CD1-CD1 3.99Å; L239-L338 HydrophobicContact CD1-CD2 4.46Å; L239-L344 HydrophobicContact CB-CD2 3.83Å; L239-L344 HydrophobicContact CD1-CD2 4.4Å; L239-A348 PolarHBondContact N-O 2.99Å; L239-A348 PolarHBondContact O-N 3.06Å
240Q94.1Very high93Very high77 Ų7750.7 Ų50.736%0.3625%0.245SC..EExtended strand (participates in β ladder)trans-149.1145.4171.8-175.4-179.55.100108.6V249 E347Q240-V249 HydrophobicContact CB-CB 4.41Å; Q240-V249 PolarHBondContact N-O 2.83Å; Q240-V249 WeakPolarHBondContact O-CA 3.42Å; Q240-V249 WeakPolarHBondContact O-CB 3.49Å; Q240-V249 PolarHBondContact O-N 3.39Å; Q240-E347 HydrophobicContact CB-CB 4.49Å
241Y94.3Very high94Very high6 Ų645.2 Ų45.22%0.02422%0.222CC..EExtended strand (participates in β ladder)trans-106.7129.2170.9-171.1-98.5000111.1Y243 E246 L247 L248 V304 Y306 L309 L344Y241-Y243 AromaticContact CD1-CD1 3.66Å; Y241-Y243 HydrophobicContact CD1-CD1 3.66Å; Y241-Y243 AromaticContact CD1-CD2 3.92Å; Y241-Y243 HydrophobicContact CD1-CD2 3.92Å; Y241-Y243 AromaticContact CD1-CE1 3.73Å; Y241-Y243 HydrophobicContact CD1-CE1 3.73Å; Y241-Y243 AromaticContact CD1-CE2 3.97Å; Y241-Y243 HydrophobicContact CD1-CE2 3.97Å; Y241-Y243 AromaticContact CD1-CG 3.77Å; Y241-Y243 HydrophobicContact CD1-CG 3.77Å; Y241-Y243 AromaticContact CD1-CZ 3.88Å; Y241-Y243 AromaticContact CE1-CD1 3.71Å; Y241-Y243 HydrophobicContact CE1-CD1 3.71Å; Y241-Y243 HydrophobicContact CE1-CE1 4.08Å; Y241-Y243 HydrophobicContact CE1-CG 4Å; Y241-E246 WeakPolarHBondContact OH-CA 2.81Å; Y241-L247 WeakPolarHBondContact CD2-O 3.33Å; Y241-L248 HydrophobicContact CD2-CB 4.29Å; Y241-V304 HydrophobicContact CE2-CG1 4.48Å; Y241-V304 WeakPolarHBondContact CE2-O 3.32Å; Y241-V304 PolarHBondContact OH-O 2.63Å; Y241-Y306 AromaticContact CD1-CD2 3.63Å; Y241-Y306 HydrophobicContact CD1-CD2 3.63Å; Y241-Y306 HydrophobicContact CD1-CE2 4.3Å; Y241-Y306 AromaticContact CE1-CD2 3.66Å; Y241-Y306 HydrophobicContact CE1-CD2 3.66Å; Y241-Y306 HydrophobicContact CE1-CG 4.19Å; Y241-Y306 HydrophobicContact CG-CD2 4.09Å; Y241-Y306 PolarHBondContact OH-N 3.44Å; Y241-L309 HydrophobicContact CD2-CD1 3.68Å; Y241-L309 HydrophobicContact CE2-CD1 3.87Å; Y241-L309 HydrophobicContact CG-CD1 4.25Å; Y241-L344 PolarHBondContact N-O 2.87Å
242D93.9Very high94.7Very high42 Ų4241.4 Ų41.423%0.22520%0.198CC..EExtended strand (participates in β ladder)trans-93107.8171.8-179.6-12.2000109.1E244 N245 E246 L247 V249D242-E244 PolarHBondContact OD1-N 2.9Å; D242-N245 PolarHBondContact OD1-N 3.09Å; D242-N245 VanDerWaalsContact OD1-N 3.13Å; D242-N245 PolarHBondContact OD1-ND2 2.98Å; D242-N245 PolarHBondContact OD2-ND2 2.87Å; D242-E246 WeakPolarHBondContact O-CA 3.16Å; D242-E246 PolarHBondContact O-N 3.44Å; D242-E246 VanDerWaalsContact O-N 3.09Å; D242-L247 HydrophobicContact CB-CB 4.27Å; D242-L247 PolarHBondContact N-O 3.04Å; D242-L247 PolarHBondContact O-N 2.89Å; D242-L247 VanDerWaalsContact O-N 3.12Å; D242-V249 HydrophobicContact CB-CG2 4.41Å
243Y91.9Very high95.1Very high121 Ų12142.4 Ų42.448%0.47520%0.202SC..THydrogen-bonded Turntrans-76.1-20.3180-64.3-91.1000113.7Y241 Y306Y241-Y243 AromaticContact CD1-CD1 3.66Å; Y241-Y243 HydrophobicContact CD1-CD1 3.66Å; Y241-Y243 AromaticContact CD1-CD2 3.92Å; Y241-Y243 HydrophobicContact CD1-CD2 3.92Å; Y241-Y243 AromaticContact CD1-CE1 3.73Å; Y241-Y243 HydrophobicContact CD1-CE1 3.73Å; Y241-Y243 AromaticContact CD1-CE2 3.97Å; Y241-Y243 HydrophobicContact CD1-CE2 3.97Å; Y241-Y243 AromaticContact CD1-CG 3.77Å; Y241-Y243 HydrophobicContact CD1-CG 3.77Å; Y241-Y243 AromaticContact CD1-CZ 3.88Å; Y241-Y243 AromaticContact CE1-CD1 3.71Å; Y241-Y243 HydrophobicContact CE1-CD1 3.71Å; Y241-Y243 HydrophobicContact CE1-CE1 4.08Å; Y241-Y243 HydrophobicContact CE1-CG 4Å; Y243-Y306 HydrophobicContact CD1-CD2 4.32Å; Y243-Y306 AromaticContact CE1-CD2 3.55Å; Y243-Y306 HydrophobicContact CE1-CD2 3.55Å; Y243-Y306 AromaticContact CE1-CE2 3.5Å; Y243-Y306 HydrophobicContact CE1-CE2 3.5Å; Y243-Y306 VanDerWaalsContact CE1-CE2 3.5Å; Y243-Y306 HydrophobicContact CE1-CG 4.11Å; Y243-Y306 AromaticContact CZ-CE2 3.71Å; Y243-Y306 VanDerWaalsContact OH-CE2 3.26Å; Y243-Y306 WeakPolarHBondContact OH-CE2 3.14Å
244E92.9Very high95.2Very high181 Ų18145 Ų4585%0.84621%0.211SC*.THydrogen-bonded Turntrans-80.3-36.2-179.8-62.2-174.4176.700111.1D242D242-E244 PolarHBondContact OD1-N 2.9Å
245N93.2Very high95.3Very high104 Ų10440.7 Ų40.756%0.55619%0.192SC*.THydrogen-bonded Turntrans-106.8-0.4-176.7-61.2-75.3000114.5D242 L247D242-N245 PolarHBondContact OD1-N 3.09Å; D242-N245 VanDerWaalsContact OD1-N 3.13Å; D242-N245 PolarHBondContact OD1-ND2 2.98Å; D242-N245 PolarHBondContact OD2-ND2 2.87Å; N245-L247 HydrophobicContact CB-CD1 3.82Å; N245-L247 HydrophobicContact CB-CG 3.76Å; N245-L247 WeakPolarHBondContact O-CG 3.31Å
246E94.1Very high95.3Very high113 Ų11343.1 Ų43.153%0.52821%0.205SC..THydrogen-bonded Turntrans54.146.6-173.3-57.3-169141.900113.9Y241 D242 V304Y241-E246 WeakPolarHBondContact OH-CA 2.81Å; D242-E246 WeakPolarHBondContact O-CA 3.16Å; D242-E246 PolarHBondContact O-N 3.44Å; D242-E246 VanDerWaalsContact O-N 3.09Å; E246-V304 CarbonylContact O-C 3.49Å; E246-V304 PolarHBondContact O-N 3.38Å; E246-V304 VanDerWaalsContact O-O 3.12Å
247L94.5Very high95.1Very high28 Ų2848 Ų4815%0.14723%0.231CC..EExtended strand (participates in β ladder)trans-117.7127.9-176.3-53.1179.7000111.8Y241 D242 N245 V249 Q301 F302 P303Y241-L247 WeakPolarHBondContact CD2-O 3.33Å; D242-L247 HydrophobicContact CB-CB 4.27Å; D242-L247 PolarHBondContact N-O 3.04Å; D242-L247 PolarHBondContact O-N 2.89Å; D242-L247 VanDerWaalsContact O-N 3.12Å; N245-L247 HydrophobicContact CB-CD1 3.82Å; N245-L247 HydrophobicContact CB-CG 3.76Å; N245-L247 WeakPolarHBondContact O-CG 3.31Å; L247-V249 PolarHBondContact O-N 2.88Å; L247-Q301 HydrophobicContact CD1-CB 4.33Å; L247-Q301 HydrophobicContact CD1-CG 4.47Å; L247-F302 WeakPolarHBondContact CA-O 3.46Å; L247-P303 HydrophobicContact CD2-CB 3.74Å
248L93.8Very high94.9Very high0 Ų048.2 Ų48.20%023%0.232CC..EExtended strand (participates in β ladder)trans-80.5110.8161.1178.368.7000108.9Y241 V250 L275 F302 V304 L309 L338 L344Y241-L248 HydrophobicContact CD2-CB 4.29Å; L248-V250 HydrophobicContact CD2-CG2 4.19Å; L248-V250 HydrophobicContact CG-CG2 3.99Å; L248-L275 HydrophobicContact CD2-CD1 4.04Å; L248-F302 HydrophobicContact CB-CB 4.34Å; L248-F302 PolarHBondContact N-O 2.98Å; L248-F302 PolarHBondContact O-N 3.43Å; L248-V304 HydrophobicContact CB-CG1 3.81Å; L248-L309 HydrophobicContact CB-CD2 4.34Å; L248-L309 HydrophobicContact CD2-CD2 4.16Å; L248-L338 HydrophobicContact CD2-CD1 3.86Å; L248-L344 HydrophobicContact CD1-CD2 4.26Å
249V95.1Very high94.7Very high23 Ų2349.9 Ų49.914%0.13924%0.243CC..EExtended strand (participates in β ladder)trans-87.3126175.4-171.20000108.9Q240 D242 L247 T299 F300 Q301Q240-V249 HydrophobicContact CB-CB 4.41Å; Q240-V249 PolarHBondContact N-O 2.83Å; Q240-V249 WeakPolarHBondContact O-CA 3.42Å; Q240-V249 WeakPolarHBondContact O-CB 3.49Å; Q240-V249 PolarHBondContact O-N 3.39Å; D242-V249 HydrophobicContact CB-CG2 4.41Å; L247-V249 PolarHBondContact O-N 2.88Å; V249-T299 HydrophobicContact CG1-CG2 3.5Å; V249-T299 VanDerWaalsContact CG1-CG2 3.5Å; V249-F300 WeakPolarHBondContact CA-O 3.46Å; V249-Q301 HydrophobicContact CG2-CG 4.41Å
250V95.8Very high94.4Very high0 Ų052.3 Ų52.30%026%0.263CS..EExtended strand (participates in β ladder)trans-127.9116.5-178.8-177.80000108.1L239 L248 I252 M273 F300 F302 L314 F316L239-V250 HydrophobicContact CD2-CB 4.29Å; L239-V250 HydrophobicContact CD2-CG1 3.99Å; L239-V250 HydrophobicContact CD2-CG2 3.84Å; L248-V250 HydrophobicContact CD2-CG2 4.19Å; L248-V250 HydrophobicContact CG-CG2 3.99Å; V250-I252 HydrophobicContact CG1-CD1 4.21Å; V250-M273 HydrophobicContact CB-SD 4.46Å; V250-M273 HydrophobicContact CG1-CE 4.23Å; V250-M273 HydrophobicContact CG1-SD 4.23Å; V250-F300 PolarHBondContact N-O 2.92Å; V250-F300 PolarHBondContact O-N 3.24Å; V250-F302 HydrophobicContact CB-CE2 4.47Å; V250-F302 HydrophobicContact CG2-CD2 3.91Å; V250-F302 HydrophobicContact CG2-CE2 3.99Å; V250-L314 HydrophobicContact CG1-CD2 4.08Å; V250-L314 HydrophobicContact CG2-CD1 4.42Å; V250-L314 HydrophobicContact CG2-CD2 3.84Å; V250-F316 HydrophobicContact CG1-CE1 3.8Å; V250-F316 HydrophobicContact CG1-CZ 3.78Å
251K96.7Very high94Very high48 Ų4852.6 Ų52.621%0.20926%0.263CS..EExtended strand (participates in β ladder)trans-115.6119.7179.3172.2-177.7-176.9-176.30110.5F237 T238 I253 D297 E298 T299F237-K251 CarbonylContact C-O 3.54Å; F237-K251 WeakPolarHBondContact CA-O 3.46Å; F237-K251 VanDerWaalsContact CB-O 3.23Å; F237-K251 WeakPolarHBondContact CB-O 3.42Å; T238-K251 PolarHBondContact N-O 2.96Å; T238-K251 PolarHBondContact O-N 2.88Å; T238-K251 WeakPolarHBondContact OG1-CB 3.48Å; K251-I253 HydrophobicContact CG-CG1 4.44Å; K251-D297 WeakPolarHBondContact CE-OD1 3.29Å; K251-D297 IonicContact NZ-OD1 2.61Å; K251-D297 PolarHBondContact NZ-OD1 3.43Å; K251-E298 CarbonylContact C-O 3.55Å; K251-E298 WeakPolarHBondContact CA-O 3.19Å; K251-T299 HydrophobicContact CB-CG2 4.21Å; K251-T299 WeakPolarHBondContact CD-OG1 2.92Å; K251-T299 WeakPolarHBondContact CG-OG1 3.19Å
252I97.8Very high93.2Very high0 Ų054.2 Ų54.20%027%0.272CS..EExtended strand (participates in β ladder)trans-87115.6176.2-51.8-54.5000108.1L235 F237 V250 V271 M273 T285 F296 D297 E298 F300 F316L235-I252 HydrophobicContact CD1-CG2 4.13Å; F237-I252 HydrophobicContact CB-CD1 3.79Å; V250-I252 HydrophobicContact CG1-CD1 4.21Å; I252-V271 HydrophobicContact CG2-CG2 4.47Å; I252-M273 HydrophobicContact CD1-CE 3.6Å; I252-M273 HydrophobicContact CG1-CE 3.38Å; I252-T285 HydrophobicContact CB-CG2 4.3Å; I252-T285 HydrophobicContact CG1-CG2 4.26Å; I252-T285 HydrophobicContact CG2-CG2 4.47Å; I252-F296 HydrophobicContact CB-CB 4.37Å; I252-F296 HydrophobicContact CG2-CB 4.05Å; I252-F296 HydrophobicContact CG2-CD2 3.53Å; I252-F296 HydrophobicContact CG2-CE2 4.25Å; I252-F296 HydrophobicContact CG2-CG 4.01Å; I252-D297 CarbonylContact O-C 3.58Å; I252-D297 VanDerWaalsContact O-CA 3.28Å; I252-D297 WeakPolarHBondContact O-CA 3.13Å; I252-D297 PolarHBondContact O-N 3.21Å; I252-E298 PolarHBondContact N-O 3.14Å; I252-E298 PolarHBondContact O-N 3.47Å; I252-F300 HydrophobicContact CG1-CD2 4.48Å; I252-F300 HydrophobicContact CG1-CE2 4.22Å; I252-F316 HydrophobicContact CD1-CD1 4.05Å; I252-F316 HydrophobicContact CD1-CE1 3.56Å; I252-F316 HydrophobicContact CD1-CZ 4.07Å
253I97.1Very high92.1Very high37 Ų3761.4 Ų61.419%0.1930%0.302CS..EExtended strand (participates in β ladder)trans-87.5-59.4-177.7-61.8172.2000109.3N236 T238 K251 F296 D297 T349N236-I253 PolarHBondContact O-N 2.87Å; T238-I253 HydrophobicContact CG2-CD1 3.69Å; K251-I253 HydrophobicContact CG-CG1 4.44Å; I253-F296 PolarHBondContact O-N 2.83Å; I253-D297 PolarHBondContact O-N 2.8Å; I253-D297 VanDerWaalsContact O-N 3.09Å; I253-T349 HydrophobicContact CD1-CG2 4.22Å
254K97.2Very high91.3Very high62 Ų6260 Ų6027%0.2731%0.306SS..EExtended strand (participates in β ladder)trans-162.6163.5-175.259.8-176.2174.8175.70113.1N236 P294 L295 W351N236-K254 WeakPolarHBondContact CA-O 3.46Å; N236-K254 HydrophobicContact CB-CG 3.92Å; N236-K254 WeakPolarHBondContact CB-O 3.24Å; N236-K254 PolarHBondContact N-O 2.87Å; N236-K254 PolarHBondContact O-N 2.94Å; K254-P294 CarbonylContact C-O 3.57Å; K254-P294 WeakPolarHBondContact CA-O 3.25Å; K254-P294 WeakPolarHBondContact CB-O 3.46Å; K254-L295 HydrophobicContact CB-CD2 3.61Å; K254-L295 HydrophobicContact CD-CD2 3.57Å; K254-L295 HydrophobicContact CG-CD2 4.26Å; K254-W351 HydrophobicContact CG-CH2 4.39Å
255A97.4Very high90.7Very high1 Ų153.6 Ų53.61%0.00829%0.288CS..EExtended strand (participates in β ladder)trans-117.3156.6160.300000110.4K234 L235 L258 N293 P294 F296K234-A255 CarbonylContact O-C 3.05Å; K234-A255 WeakPolarHBondContact O-CA 3.48Å; K234-A255 WeakPolarHBondContact O-CB 3.37Å; L235-A255 HydrophobicContact CD1-CB 4.07Å; A255-L258 HydrophobicContact CB-CD1 4.04Å; A255-L258 HydrophobicContact CB-CD2 3.97Å; A255-L258 HydrophobicContact CB-CG 4.1Å; A255-N293 CarbonylContact O-C 3.49Å; A255-N293 VanDerWaalsContact O-CA 3.32Å; A255-N293 WeakPolarHBondContact O-CA 3.23Å; A255-P294 HydrophobicContact CB-CG 3.91Å; A255-P294 PolarHBondContact N-O 2.91Å; A255-F296 HydrophobicContact CB-CE2 4.24Å
256L96.1Very high90.4Very high51 Ų5150.1 Ų50.127%0.26727%0.271SS..EExtended strand (participates in β ladder)trans-128.5152.5175.3-64.5-177.7000111.1G233 K234 L258 N293 W351G233-L256 CarbonylContact C-O 3.38Å; G233-L256 WeakPolarHBondContact CA-O 3.48Å; K234-L256 PolarHBondContact N-O 3.34Å; K234-L256 PolarHBondContact O-N 2.86Å; L256-L258 VanDerWaalsContact C-N 3.25Å; L256-L258 PolarHBondContact O-N 3.31Å; L256-N293 VanDerWaalsContact CA-OD1 3.23Å; L256-N293 WeakPolarHBondContact CA-OD1 3.34Å; L256-N293 HydrophobicContact CD2-CB 4.16Å; L256-N293 VanDerWaalsContact CD2-OD1 3.3Å; L256-N293 WeakPolarHBondContact CD2-OD1 3.22Å; L256-W351 HydrophobicContact CD1-CH2 3.45Å; L256-W351 VanDerWaalsContact CD1-CH2 3.45Å; L256-W351 HydrophobicContact CD1-CZ3 3.73Å; L256-W351 HydrophobicContact CG-CH2 3.92Å; L256-W351 HydrophobicContact CG-CZ3 3.98Å
257D93.5Very high90.3Very high111 Ų11144.8 Ų44.859%0.59425%0.246SC*.SBendtrans52.837.8171-54.3-45.4000114.3G233 L292 N293G233-D257 WeakPolarHBondContact CA-O 3.24Å; G233-D257 PolarHBondContact N-O 3.35Å; D257-L292 PolarHBondContact N-O 2.93Å; D257-N293 PolarHBondContact N-OD1 2.88Å
258L94.1Very high90.3Very high4 Ų444.2 Ų44.22%0.02124%0.244CC..PPolyproline II helixtrans-65145.1174.3-59.7-178.2000110.5A255 L256 P269 L292 P294 V318 I330 I354A255-L258 HydrophobicContact CB-CD1 4.04Å; A255-L258 HydrophobicContact CB-CD2 3.97Å; A255-L258 HydrophobicContact CB-CG 4.1Å; L256-L258 VanDerWaalsContact C-N 3.25Å; L256-L258 PolarHBondContact O-N 3.31Å; L258-P269 HydrophobicContact CD1-CB 3.58Å; L258-P269 HydrophobicContact CD1-CG 3.88Å; L258-L292 HydrophobicContact CB-CB 4.47Å; L258-L292 WeakPolarHBondContact CB-O 3.46Å; L258-L292 WeakPolarHBondContact CG-O 3.39Å; L258-L292 PolarHBondContact N-O 3.32Å; L258-L292 WeakPolarHBondContact O-CB 3.36Å; L258-L292 WeakPolarHBondContact O-CD2 3.31Å; L258-P294 HydrophobicContact CD1-CG 3.91Å; L258-V318 HydrophobicContact CD1-CG1 4.41Å; L258-V318 HydrophobicContact CD2-CG1 4.34Å; L258-I330 HydrophobicContact CD1-CD1 4.45Å; L258-I330 HydrophobicContact CD2-CG2 4.25Å; L258-I354 HydrophobicContact CD2-CD1 3.39Å
259P90.6Very high90.4Very high39 Ų3944.2 Ų44.225%0.25324%0.244SC..PPolyproline II helixtrans-67141.9172.829.8-36.7000111C232 S267 I330C232-P259 HydrophobicContact CB-CG 4.11Å; C232-P259 WeakPolarHBondContact O-CD 3.27Å; P259-S267 PolarHBondContact O-OG 3.37Å; P259-I330 HydrophobicContact CG-CG2 3.72Å
260A88.6Confident90.5Very high50 Ų5043.1 Ų43.141%0.41324%0.237SC..PPolyproline II helixtrans-67129.8165.500000110.3G265 T266 S267 L292A260-G265 VanDerWaalsContact CB-C 3.48Å; A260-G265 WeakPolarHBondContact CB-O 3.49Å; A260-T266 WeakPolarHBondContact CA-O 3.23Å; A260-S267 WeakPolarHBondContact CA-OG 3.22Å; A260-L292 HydrophobicContact CB-CD1 4.36Å; A260-L292 HydrophobicContact CB-CD2 4.23Å
261K84.6Confident90.6Very high84 Ų8443.1 Ų43.137%0.36524%0.237SC..  trans-120.2-31.5-178.6-77.5-66.6-156143.60111.7T266 S267 D320 D328 M329 I330K261-T266 PolarHBondContact N-O 3.05Å; K261-S267 PolarHBondContact N-OG 3.16Å; K261-D320 HydrophobicContact CB-CB 4.09Å; K261-D320 WeakPolarHBondContact CB-OD2 3.49Å; K261-D320 HydrophobicContact CG-CB 4.45Å; K261-D328 WeakPolarHBondContact CD-OD2 3.29Å; K261-D328 IonicContact NZ-OD2 3.7Å; K261-D328 PolarHBondContact NZ-OD2 2.98Å; K261-M329 PolarHBondContact NZ-O 2.9Å; K261-I330 HydrophobicContact CG-CG1 4.14Å
262D77.6Confident90.4Very high39 Ų3942.5 Ų42.521%0.20923%0.234CC..SBendtrans-63.8147.3168.7-69.7-56.7000112.3T264 G265 T266 S267D262-T264 WeakPolarHBondContact CB-OG1 3.28Å; D262-T264 PolarHBondContact O-N 3.26Å; D262-G265 PolarHBondContact O-N 3.36Å; D262-T266 VanDerWaalsContact CB-O 3.27Å; D262-T266 WeakPolarHBondContact CB-O 3.41Å; D262-T266 PolarHBondContact N-O 3.3Å; D262-T266 PolarHBondContact OD2-OG1 3.21Å; D262-S267 WeakPolarHBondContact OD2-CA 3.17Å; D262-S267 PolarHBondContact OD2-N 2.7Å
263F71.3Confident90.3Very high193 Ų19342.5 Ų42.585%0.84623%0.234SC*.THydrogen-bonded Turntrans-55.6-15.4161.9-62.6-77.2000114.2G265 T506F263-G265 VanDerWaalsContact C-N 3.31Å; F263-T506 HydrophobicContact CZ-CG2 4.12Å
264T74.6Confident90Very high91 Ų9142.6 Ų42.656%0.55823%0.232SC*.THydrogen-bonded Turntrans-83.6-3.4178.667.90000113.8D262 T266D262-T264 WeakPolarHBondContact CB-OG1 3.28Å; D262-T264 PolarHBondContact O-N 3.26Å; T264-T266 VanDerWaalsContact C-N 3.34Å; T264-T266 PolarHBondContact OG1-OG1 2.81Å
265G80Confident89.6Confident47 Ų4740 Ų4049%0.48522%0.222SC..SBendtrans80.214.8-176.600000113.9A260 D262 F263A260-G265 VanDerWaalsContact CB-C 3.48Å; A260-G265 WeakPolarHBondContact CB-O 3.49Å; D262-G265 PolarHBondContact O-N 3.36Å; F263-G265 VanDerWaalsContact C-N 3.31Å
266T88.8Confident89Confident32 Ų3241.3 Ų41.320%0.19623%0.228CC..  trans-125.2-166.9172.961.40000110.7A260 K261 D262 T264 K290A260-T266 WeakPolarHBondContact CA-O 3.23Å; K261-T266 PolarHBondContact N-O 3.05Å; D262-T266 VanDerWaalsContact CB-O 3.27Å; D262-T266 WeakPolarHBondContact CB-O 3.41Å; D262-T266 PolarHBondContact N-O 3.3Å; D262-T266 PolarHBondContact OD2-OG1 3.21Å; T264-T266 VanDerWaalsContact C-N 3.34Å; T264-T266 PolarHBondContact OG1-OG1 2.81Å; T266-K290 HydrophobicContact CG2-CB 4.24Å; T266-K290 WeakPolarHBondContact OG1-CA 3.45Å
267S91.9Very high88.2Confident0 Ų043.9 Ų43.90%025%0.248CC..  trans-143.9159.4165.5-51.60000107.3P259 A260 K261 D262 P269 K290 T291P259-S267 PolarHBondContact O-OG 3.37Å; A260-S267 WeakPolarHBondContact CA-OG 3.22Å; K261-S267 PolarHBondContact N-OG 3.16Å; D262-S267 WeakPolarHBondContact OD2-CA 3.17Å; D262-S267 PolarHBondContact OD2-N 2.7Å; S267-P269 WeakPolarHBondContact O-CD 3.47Å; S267-K290 CarbonylContact O-C 3.13Å; S267-K290 VanDerWaalsContact O-CA 3.26Å; S267-K290 WeakPolarHBondContact O-CA 3.33Å; S267-K290 PolarHBondContact O-N 2.55Å; S267-K290 VanDerWaalsContact O-N 3.13Å; S267-T291 PolarHBondContact O-N 3.13Å
268D93.8Very high87.3Confident17 Ų1740.9 Ų40.99%0.09123%0.232CC..  trans-101.965.8167.6-83.48000110.1V287 H288 R289 K290 D320 F321D268-V287 HydrophobicContact CB-CG1 3.96Å; D268-H288 CarbonylContact C-O 3.49Å; D268-H288 VanDerWaalsContact C-O 3.24Å; D268-H288 WeakPolarHBondContact CA-O 3.3Å; D268-R289 WeakPolarHBondContact OD1-CA 3.32Å; D268-R289 WeakPolarHBondContact OD1-CB 3.04Å; D268-R289 WeakPolarHBondContact OD2-CD 3.42Å; D268-R289 WeakPolarHBondContact OD2-CG 3.3Å; D268-R289 IonicContact OD2-NE 2.74Å; D268-R289 PolarHBondContact OD2-NE 2.66Å; D268-K290 PolarHBondContact OD1-N 2.81Å; D268-D320 WeakPolarHBondContact CA-OD1 3.49Å; D268-D320 PolarHBondContact N-OD1 2.83Å; D268-F321 HydrophobicContact CB-CB 3.98Å; D268-F321 VanDerWaalsContact O-CB 3.27Å; D268-F321 WeakPolarHBondContact O-CB 3.04Å; D268-F321 PolarHBondContact O-N 3.38Å
269P96.1Very high86.3Confident0 Ų049 Ų490%026%0.262CS..EExtended strand (participates in β ladder)trans-68.4148.2-167.628.2-39.8000116.1L258 S267 H288 T291 P294 Y319 I330L258-P269 HydrophobicContact CD1-CB 3.58Å; L258-P269 HydrophobicContact CD1-CG 3.88Å; S267-P269 WeakPolarHBondContact O-CD 3.47Å; P269-H288 WeakPolarHBondContact CD-O 3.08Å; P269-H288 PolarHBondContact O-N 3.13Å; P269-T291 WeakPolarHBondContact CD-O 3.32Å; P269-T291 HydrophobicContact CG-CG2 4.07Å; P269-T291 VanDerWaalsContact CG-O 3.26Å; P269-T291 WeakPolarHBondContact CG-O 3.49Å; P269-P294 HydrophobicContact CB-CG 4.16Å; P269-P294 HydrophobicContact CG-CB 3.87Å; P269-P294 HydrophobicContact CG-CG 3.61Å; P269-Y319 CarbonylContact C-O 3.5Å; P269-Y319 VanDerWaalsContact CA-O 3.28Å; P269-Y319 WeakPolarHBondContact CA-O 3.28Å; P269-I330 HydrophobicContact CB-CD1 4.43Å
270Y97.1Very high85Confident0 Ų056.4 Ų56.40%029%0.29CS..EExtended strand (participates in β ladder)trans-149.2158.4166.872.6-78.2000111.6K272 Q284 R286 V287 Y319 F321 H327Y270-K272 HydrophobicContact CD2-CG 4.48Å; Y270-K272 HydrophobicContact CE2-CD 4.16Å; Y270-K272 HydrophobicContact CE2-CG 3.95Å; Y270-K272 PolarHBondContact OH-NZ 3.39Å; Y270-Q284 HydrophobicContact CD2-CG 3.55Å; Y270-Q284 HydrophobicContact CE2-CG 3.91Å; Y270-R286 WeakPolarHBondContact CB-O 3.08Å; Y270-V287 HydrophobicContact CD1-CG2 4.11Å; Y270-V287 HydrophobicContact CG-CG2 4.14Å; Y270-Y319 HydrophobicContact CE1-CG 4.3Å; Y270-Y319 HydrophobicContact CE2-CD2 4.22Å; Y270-Y319 HydrophobicContact CE2-CG 4.42Å; Y270-Y319 AromaticContact CZ-CG 3.84Å; Y270-Y319 PolarHBondContact N-O 3.32Å; Y270-Y319 PolarHBondContact O-N 3.26Å; Y270-Y319 VanDerWaalsContact OH-CB 3.3Å; Y270-Y319 WeakPolarHBondContact OH-CB 3.39Å; Y270-F321 HydrophobicContact CD1-CB 3.86Å; Y270-F321 HydrophobicContact CE1-CB 4.01Å; Y270-H327 HydrophobicContact CE1-CB 4.34Å; Y270-H327 AromaticContact CE1-ND1 3.55Å; Y270-H327 AromaticContact CZ-ND1 3.42Å; Y270-H327 PolarHBondContact OH-ND1 2.85Å
271V96.9Very high84.4Confident0 Ų058.8 Ų58.80%029%0.291CS..EExtended strand (participates in β ladder)trans-114.5132.2-178.3-1720000110.2L235 I252 Q284 T285 F296 F316 V318L235-V271 HydrophobicContact CD1-CG2 4.18Å; I252-V271 HydrophobicContact CG2-CG2 4.47Å; V271-Q284 VanDerWaalsContact O-CA 3.31Å; V271-Q284 WeakPolarHBondContact O-CA 3.48Å; V271-T285 HydrophobicContact CB-CG2 3.98Å; V271-T285 PolarHBondContact N-OG1 3.47Å; V271-T285 PolarHBondContact O-N 2.93Å; V271-F296 HydrophobicContact CG2-CE1 4.45Å; V271-F296 HydrophobicContact CG2-CE2 3.81Å; V271-F296 HydrophobicContact CG2-CZ 3.77Å; V271-F316 HydrophobicContact CG1-CB 4.13Å; V271-F316 HydrophobicContact CG1-CD1 4.27Å; V271-V318 HydrophobicContact CG2-CG2 4.29Å
272K94.3Very high84.5Confident34 Ų3461.2 Ų61.215%0.14830%0.302CS..EExtended strand (participates in β ladder)trans-100.9147.4164.2-76172.5177.3130.10109.6Y270 Y274 F283 Q284 F316 S317 Y319Y270-K272 HydrophobicContact CD2-CG 4.48Å; Y270-K272 HydrophobicContact CE2-CD 4.16Å; Y270-K272 HydrophobicContact CE2-CG 3.95Å; Y270-K272 PolarHBondContact OH-NZ 3.39Å; K272-Y274 HydrophobicContact CB-CE2 4.21Å; K272-F283 WeakPolarHBondContact CA-O 3.47Å; K272-Q284 VanDerWaalsContact CE-OE1 3.28Å; K272-Q284 HydrophobicContact CG-CB 4.37Å; K272-Q284 HydrophobicContact CG-CG 3.83Å; K272-F316 WeakPolarHBondContact O-CA 3.21Å; K272-S317 PolarHBondContact N-O 2.86Å; K272-S317 PolarHBondContact O-N 2.98Å; K272-Y319 HydrophobicContact CB-CE2 4.38Å; K272-Y319 HydrophobicContact CD-CD2 4.05Å; K272-Y319 HydrophobicContact CD-CE2 3.74Å; K272-Y319 HydrophobicContact CG-CD2 4.42Å; K272-Y319 HydrophobicContact CG-CE2 4.41Å
273M93.9Very high85.2Confident0 Ų062.6 Ų62.60%031%0.306CS..EExtended strand (participates in β ladder)trans-137.8143178.959.8173.77400113.6V250 I252 K282 F283 F300 F302 H315 F316V250-M273 HydrophobicContact CB-SD 4.46Å; V250-M273 HydrophobicContact CG1-CE 4.23Å; V250-M273 HydrophobicContact CG1-SD 4.23Å; I252-M273 HydrophobicContact CD1-CE 3.6Å; I252-M273 HydrophobicContact CG1-CE 3.38Å; M273-K282 WeakPolarHBondContact O-CA 3.5Å; M273-F283 HydrophobicContact CG-CB 3.64Å; M273-F283 HydrophobicContact CG-CD2 4.48Å; M273-F283 PolarHBondContact N-O 2.85Å; M273-F283 PolarHBondContact O-N 2.9Å; M273-F283 VanDerWaalsContact O-N 3.14Å; M273-F283 HydrophobicContact SD-CB 3.96Å; M273-F283 HydrophobicContact SD-CD2 4.42Å; M273-F300 HydrophobicContact CE-CB 4.41Å; M273-F300 HydrophobicContact CE-CD2 3.26Å; M273-F300 HydrophobicContact CE-CE2 3.66Å; M273-F300 HydrophobicContact CE-CG 3.95Å; M273-F300 HydrophobicContact SD-CB 3.78Å; M273-F300 HydrophobicContact SD-CD2 3.77Å; M273-F300 HydrophobicContact SD-CG 3.84Å; M273-F302 HydrophobicContact CB-CZ 4.24Å; M273-F302 HydrophobicContact CG-CE2 4.22Å; M273-F302 HydrophobicContact CG-CZ 3.81Å; M273-F302 HydrophobicContact SD-CE2 3.65Å; M273-F302 HydrophobicContact SD-CZ 3.87Å; M273-H315 CarbonylContact C-O 3.58Å; M273-H315 VanDerWaalsContact CA-O 3.27Å; M273-H315 WeakPolarHBondContact CA-O 3.4Å; M273-F316 HydrophobicContact CB-CD1 3.76Å; M273-F316 HydrophobicContact CB-CE1 4.01Å; M273-F316 HydrophobicContact CE-CD1 4.44Å; M273-F316 HydrophobicContact CE-CE1 4.07Å
274Y91.1Very high86.3Confident40 Ų4057.9 Ų57.916%0.15729%0.287CS..EExtended strand (participates in β ladder)trans-136.6142.3-178.3-50.5-89.3000110.7K272 K282 H315K272-Y274 HydrophobicContact CB-CE2 4.21Å; Y274-K282 HydrophobicContact CD1-CB 3.67Å; Y274-K282 HydrophobicContact CE1-CB 3.42Å; Y274-K282 VanDerWaalsContact CE1-CB 3.42Å; Y274-K282 HydrophobicContact CE1-CD 4.07Å; Y274-K282 HydrophobicContact CE1-CG 4.37Å; Y274-H315 AromaticContact CD2-ND1 3.78Å; Y274-H315 PolarHBondContact N-O 3.45Å; Y274-H315 PolarHBondContact O-N 2.72Å
275L90.1Very high87.4Confident8 Ų853.7 Ų53.74%0.04226%0.261CS..EExtended strand (participates in β ladder)trans-103.383.2171.8-172.267.2000109.8L248 D278 F302 V304 R312 K313 L314 L338L248-L275 HydrophobicContact CD2-CD1 4.04Å; L275-D278 PolarHBondContact O-N 3.46Å; L275-F302 HydrophobicContact CB-CD1 3.6Å; L275-F302 HydrophobicContact CB-CE1 3.8Å; L275-F302 HydrophobicContact CB-CG 4.09Å; L275-F302 HydrophobicContact CB-CZ 4.42Å; L275-F302 HydrophobicContact CD2-CB 3.87Å; L275-F302 HydrophobicContact CD2-CD1 4.39Å; L275-F302 HydrophobicContact CD2-CG 4.26Å; L275-V304 HydrophobicContact CD2-CB 3.91Å; L275-V304 HydrophobicContact CD2-CG1 3.78Å; L275-V304 HydrophobicContact CD2-CG2 4.16Å; L275-R312 HydrophobicContact CD1-CB 3.8Å; L275-R312 HydrophobicContact CD1-CG 4.45Å; L275-R312 HydrophobicContact CD2-CG 4.45Å; L275-R312 HydrophobicContact CG-CB 4.12Å; L275-R312 HydrophobicContact CG-CG 4.29Å; L275-K313 CarbonylContact C-O 3.57Å; L275-L314 HydrophobicContact CD1-CB 4.49Å; L275-L314 HydrophobicContact CD1-CD1 4.42Å; L275-L338 HydrophobicContact CD1-CD1 4.47Å
276L84.8Confident88.2Confident27 Ų2760 Ų6014%0.14127%0.27CS..EExtended strand (participates in β ladder)trans-59.9143.9-175.3-60.2178.7000111.1R279 R312 K313 H315L276-R279 HydrophobicContact CD2-CG 3.56Å; L276-R312 WeakPolarHBondContact O-CA 3.48Å; L276-R312 VanDerWaalsContact O-CD 3.22Å; L276-R312 WeakPolarHBondContact O-CD 3.21Å; L276-K313 HydrophobicContact CB-CB 4.2Å; L276-K313 PolarHBondContact N-O 3.14Å; L276-K313 PolarHBondContact O-N 3.34Å; L276-K313 VanDerWaalsContact O-N 3.14Å; L276-H315 HydrophobicContact CD1-CB 3.87Å; L276-H315 HydrophobicContact CG-CB 4.14Å
277P78.6Confident88.5Confident105 Ų10560.6 Ų60.668%0.68227%0.274SS*.THydrogen-bonded Turncis-80.50.8832.4-37.2000115.8R279P277-R279 PolarHBondContact O-N 3.49Å; P277-R279 VanDerWaalsContact O-N 3.09Å
278D74.4Confident88.7Confident49 Ų4963 Ų6326%0.26229%0.285SS..EExtended strand (participates in β ladder)trans-75.1102.4177.6-1720.3000110.9L275 K280 K281L275-D278 PolarHBondContact O-N 3.46Å; D278-K280 WeakPolarHBondContact OD1-CA 3.37Å; D278-K280 WeakPolarHBondContact OD1-CB 3.3Å; D278-K280 PolarHBondContact OD1-N 2.94Å; D278-K281 PolarHBondContact OD1-N 2.73Å
279R72.7Confident88.7Confident175 Ų17570.5 Ų70.566%0.6631%0.312SS*.EExtended strand (participates in β ladder)trans-91.1-3.8172.9-68.9-175.4172.4-169.4-2.9113.6L276 P277L276-R279 HydrophobicContact CD2-CG 3.56Å; P277-R279 PolarHBondContact O-N 3.49Å; P277-R279 VanDerWaalsContact O-N 3.09Å
280K63.9Low88.5Confident193 Ų19377.2 Ų77.284%0.83934%0.341SS*.EExtended strand (participates in β ladder)trans-81.3-43.8-179.1-62.6-178179.8178.80111.3D278 K282D278-K280 WeakPolarHBondContact OD1-CA 3.37Å; D278-K280 WeakPolarHBondContact OD1-CB 3.3Å; D278-K280 PolarHBondContact OD1-N 2.94Å; K280-K282 PolarHBondContact O-N 3.25Å
281K76.4Confident88.3Confident101 Ų10179 Ų7944%0.43935%0.352SS..EExtended strand (participates in β ladder)trans-80.5113172.1-68.5-177.8-177.1177.80109.4D278D278-K281 PolarHBondContact OD1-N 2.73Å
282K86.1Confident88.2Confident135 Ų13581.2 Ų81.259%0.58736%0.364SS*.EExtended strand (participates in β ladder)trans-130.1139175.968.9-172.7179.3-1750109.7M273 Y274 K280M273-K282 WeakPolarHBondContact O-CA 3.5Å; Y274-K282 HydrophobicContact CD1-CB 3.67Å; Y274-K282 HydrophobicContact CE1-CB 3.42Å; Y274-K282 VanDerWaalsContact CE1-CB 3.42Å; Y274-K282 HydrophobicContact CE1-CD 4.07Å; Y274-K282 HydrophobicContact CE1-CG 4.37Å; K280-K282 PolarHBondContact O-N 3.25Å
283F92.9Very high88.3Confident68 Ų6883 Ų8330%0.29838%0.375SS..EExtended strand (participates in β ladder)trans-111.1160.7166.6-60.2-79.6000110.2K272 M273 F300 Q301 F302K272-F283 WeakPolarHBondContact CA-O 3.47Å; M273-F283 HydrophobicContact CG-CB 3.64Å; M273-F283 HydrophobicContact CG-CD2 4.48Å; M273-F283 PolarHBondContact N-O 2.85Å; M273-F283 PolarHBondContact O-N 2.9Å; M273-F283 VanDerWaalsContact O-N 3.14Å; M273-F283 HydrophobicContact SD-CB 3.96Å; M273-F283 HydrophobicContact SD-CD2 4.42Å; F283-F300 HydrophobicContact CB-CB 4.23Å; F283-F300 HydrophobicContact CB-CD1 3.5Å; F283-F300 VanDerWaalsContact CB-CD1 3.5Å; F283-F300 HydrophobicContact CB-CE1 4.04Å; F283-F300 HydrophobicContact CB-CG 3.93Å; F283-F300 AromaticContact CD1-CD1 3.9Å; F283-F300 HydrophobicContact CD1-CD1 3.9Å; F283-F300 HydrophobicContact CD2-CB 4.14Å; F283-F300 HydrophobicContact CG-CB 4.06Å; F283-F300 AromaticContact CG-CD1 3.81Å; F283-F300 HydrophobicContact CG-CD1 3.81Å; F283-F300 HydrophobicContact CG-CG 4.22Å; F283-Q301 VanDerWaalsContact CE2-O 3.27Å; F283-Q301 WeakPolarHBondContact CE2-O 3.4Å; F283-Q301 WeakPolarHBondContact CZ-O 3.28Å; F283-F302 HydrophobicContact CD2-CD1 4.14Å; F283-F302 HydrophobicContact CD2-CD2 4.44Å; F283-F302 AromaticContact CD2-CE1 3.66Å; F283-F302 HydrophobicContact CD2-CE1 3.66Å; F283-F302 HydrophobicContact CD2-CE2 4.01Å; F283-F302 AromaticContact CD2-CZ 3.61Å; F283-F302 HydrophobicContact CD2-CZ 3.61Å; F283-F302 AromaticContact CE2-CD1 3.78Å; F283-F302 HydrophobicContact CE2-CD1 3.78Å; F283-F302 HydrophobicContact CE2-CD2 4.33Å; F283-F302 AromaticContact CE2-CE1 3.79Å; F283-F302 HydrophobicContact CE2-CE1 3.79Å; F283-F302 HydrophobicContact CE2-CE2 4.34Å; F283-F302 HydrophobicContact CE2-CG 4.08Å; F283-F302 HydrophobicContact CE2-CZ 4.1Å
284Q94.4Very high88.4Confident93 Ų9383 Ų8344%0.43538%0.375SS..EExtended strand (participates in β ladder)trans-145.4136.4-178.1-164.6-170.5-75.900109.4Y270 V271 K272Y270-Q284 HydrophobicContact CD2-CG 3.55Å; Y270-Q284 HydrophobicContact CE2-CG 3.91Å; V271-Q284 VanDerWaalsContact O-CA 3.31Å; V271-Q284 WeakPolarHBondContact O-CA 3.48Å; K272-Q284 VanDerWaalsContact CE-OE1 3.28Å; K272-Q284 HydrophobicContact CG-CB 4.37Å; K272-Q284 HydrophobicContact CG-CG 3.83Å
285T97.4Very high88.7Confident4 Ų486.7 Ų86.73%0.02540%0.397CS..PPolyproline II helixtrans-71.8169.2169.4680000111.3I252 V271 F296 E298 F300I252-T285 HydrophobicContact CB-CG2 4.3Å; I252-T285 HydrophobicContact CG1-CG2 4.26Å; I252-T285 HydrophobicContact CG2-CG2 4.47Å; V271-T285 HydrophobicContact CB-CG2 3.98Å; V271-T285 PolarHBondContact N-OG1 3.47Å; V271-T285 PolarHBondContact O-N 2.93Å; T285-F296 HydrophobicContact CG2-CB 4.43Å; T285-F296 HydrophobicContact CG2-CD1 4.01Å; T285-F296 HydrophobicContact CG2-CG 4.23Å; T285-F296 WeakPolarHBondContact OG1-CE1 3.47Å; T285-E298 VanDerWaalsContact CA-OE1 3.29Å; T285-E298 WeakPolarHBondContact CA-OE1 3.24Å; T285-E298 VanDerWaalsContact CB-OE1 3.23Å; T285-E298 WeakPolarHBondContact CB-OE1 3.48Å; T285-F300 HydrophobicContact CG2-CE2 4.02Å; T285-F300 HydrophobicContact CG2-CZ 4.05Å
286R96.6Very high89Confident179 Ų17986.9 Ų86.968%0.67540%0.397SS*.PPolyproline II helixtrans-62.4158.1161.3-64.7166.5-165.9-151.5-0.8110.3Y270 E298Y270-R286 WeakPolarHBondContact CB-O 3.08Å; R286-E298 WeakPolarHBondContact CG-OE2 3.33Å; R286-E298 PolarHBondContact N-OE1 2.82Å; R286-E298 IonicContact NE-OE2 3.53Å; R286-E298 PolarHBondContact NE-OE2 3.28Å
287V96.2Very high89.5Confident44 Ų4490.6 Ų90.627%0.26742%0.417SS..PPolyproline II helixtrans-87.9121.3173.2175.20000108.5D268 Y270 F321D268-V287 HydrophobicContact CB-CG1 3.96Å; Y270-V287 HydrophobicContact CD1-CG2 4.11Å; Y270-V287 HydrophobicContact CG-CG2 4.14Å; V287-F321 HydrophobicContact CB-CB 4.33Å; V287-F321 HydrophobicContact CB-CG 4.43Å; V287-F321 HydrophobicContact CG1-CB 3.47Å; V287-F321 VanDerWaalsContact CG1-CB 3.47Å; V287-F321 HydrophobicContact CG1-CD1 4.07Å; V287-F321 HydrophobicContact CG1-CG 3.76Å; V287-F321 HydrophobicContact CG2-CB 3.84Å; V287-F321 HydrophobicContact CG2-CD2 3.77Å; V287-F321 HydrophobicContact CG2-CG 3.83Å
288H94.9Very high90.4Very high50 Ų5087.2 Ų87.223%0.23139%0.392CS..PPolyproline II helixtrans-99.3120.1175-72.7-102.1000108.8D268 P269 T291 P294 L295 F296D268-H288 CarbonylContact C-O 3.49Å; D268-H288 VanDerWaalsContact C-O 3.24Å; D268-H288 WeakPolarHBondContact CA-O 3.3Å; P269-H288 WeakPolarHBondContact CD-O 3.08Å; P269-H288 PolarHBondContact O-N 3.13Å; H288-T291 HydrophobicContact CB-CG2 3.78Å; H288-P294 HydrophobicContact CB-CB 3.86Å; H288-L295 PolarHBondContact CE1-O 3.25Å; H288-L295 PolarHBondContact ND1-O 2.96Å; H288-F296 AromaticContact CD2-CD1 3.4Å; H288-F296 WeakPolarHBondContact CD2-CD1 3.46Å; H288-F296 AromaticContact CD2-CE1 3.58Å; H288-F296 AromaticContact NE2-CD1 3.61Å
289R93.2Very high91.5Very high175 Ų17588.6 Ų88.666%0.6640%0.402SS*.PPolyproline II helixtrans-82.2143.6-172.3-65.2-155.4161.398.45.1114D268 T291D268-R289 WeakPolarHBondContact OD1-CA 3.32Å; D268-R289 WeakPolarHBondContact OD1-CB 3.04Å; D268-R289 WeakPolarHBondContact OD2-CD 3.42Å; D268-R289 WeakPolarHBondContact OD2-CG 3.3Å; D268-R289 IonicContact OD2-NE 2.74Å; D268-R289 PolarHBondContact OD2-NE 2.66Å; R289-T291 VanDerWaalsContact C-N 3.33Å; R289-T291 PolarHBondContact O-N 2.82Å
290K91.9Very high92.6Very high142 Ų14281.4 Ų81.462%0.61738%0.376SS*.SBendtrans48.449170.1-58.7-172.6176.4-171.80113.7T266 S267 D268T266-K290 HydrophobicContact CG2-CB 4.24Å; T266-K290 WeakPolarHBondContact OG1-CA 3.45Å; S267-K290 CarbonylContact O-C 3.13Å; S267-K290 VanDerWaalsContact O-CA 3.26Å; S267-K290 WeakPolarHBondContact O-CA 3.33Å; S267-K290 PolarHBondContact O-N 2.55Å; S267-K290 VanDerWaalsContact O-N 3.13Å; D268-K290 PolarHBondContact OD1-N 2.81Å
291T94.6Very high94.1Very high37 Ų3777 Ų7723%0.22736%0.359CS..  trans-141.6137.2-179.6-177.30000112.1S267 P269 H288 R289 N293 P294S267-T291 PolarHBondContact O-N 3.13Å; P269-T291 WeakPolarHBondContact CD-O 3.32Å; P269-T291 HydrophobicContact CG-CG2 4.07Å; P269-T291 VanDerWaalsContact CG-O 3.26Å; P269-T291 WeakPolarHBondContact CG-O 3.49Å; H288-T291 HydrophobicContact CB-CG2 3.78Å; R289-T291 VanDerWaalsContact C-N 3.33Å; R289-T291 PolarHBondContact O-N 2.82Å; T291-N293 PolarHBondContact OG1-N 2.8Å; T291-N293 VanDerWaalsContact OG1-N 3.07Å; T291-N293 PolarHBondContact OG1-O 3.31Å; T291-P294 HydrophobicContact CG2-CB 3.94Å
292L94.4Very high95Very high46 Ų4672.4 Ų72.424%0.24134%0.339CS..SBendtrans-94.9-3.1170.9-55.2-175.8000112.1D257 L258 A260D257-L292 PolarHBondContact N-O 2.93Å; L258-L292 HydrophobicContact CB-CB 4.47Å; L258-L292 WeakPolarHBondContact CB-O 3.46Å; L258-L292 WeakPolarHBondContact CG-O 3.39Å; L258-L292 PolarHBondContact N-O 3.32Å; L258-L292 WeakPolarHBondContact O-CB 3.36Å; L258-L292 WeakPolarHBondContact O-CD2 3.31Å; A260-L292 HydrophobicContact CB-CD1 4.36Å; A260-L292 HydrophobicContact CB-CD2 4.23Å
293N95.9Very high95.3Very high72 Ų7269.4 Ų69.439%0.38533%0.333SS..SBendtrans-135.162.9-176.7-64.6-78.6000110.3A255 L256 D257 T291A255-N293 CarbonylContact O-C 3.49Å; A255-N293 VanDerWaalsContact O-CA 3.32Å; A255-N293 WeakPolarHBondContact O-CA 3.23Å; L256-N293 VanDerWaalsContact CA-OD1 3.23Å; L256-N293 WeakPolarHBondContact CA-OD1 3.34Å; L256-N293 HydrophobicContact CD2-CB 4.16Å; L256-N293 VanDerWaalsContact CD2-OD1 3.3Å; L256-N293 WeakPolarHBondContact CD2-OD1 3.22Å; D257-N293 PolarHBondContact N-OD1 2.88Å; T291-N293 PolarHBondContact OG1-N 2.8Å; T291-N293 VanDerWaalsContact OG1-N 3.07Å; T291-N293 PolarHBondContact OG1-O 3.31Å
294P96.4Very high95.2Very high1 Ų166.6 Ų66.61%0.00632%0.322CS..  trans-68.1135.7-17729.3-36.9000112.2K254 A255 L258 P269 H288 T291 F296K254-P294 CarbonylContact C-O 3.57Å; K254-P294 WeakPolarHBondContact CA-O 3.25Å; K254-P294 WeakPolarHBondContact CB-O 3.46Å; A255-P294 HydrophobicContact CB-CG 3.91Å; A255-P294 PolarHBondContact N-O 2.91Å; L258-P294 HydrophobicContact CD1-CG 3.91Å; P269-P294 HydrophobicContact CB-CG 4.16Å; P269-P294 HydrophobicContact CG-CB 3.87Å; P269-P294 HydrophobicContact CG-CG 3.61Å; H288-P294 HydrophobicContact CB-CB 3.86Å; T291-P294 HydrophobicContact CG2-CB 3.94Å; P294-F296 HydrophobicContact CB-CD2 4.4Å; P294-F296 HydrophobicContact CB-CE1 3.98Å; P294-F296 HydrophobicContact CB-CE2 3.86Å; P294-F296 HydrophobicContact CB-CZ 3.61Å; P294-F296 HydrophobicContact CG-CD2 4.38Å; P294-F296 HydrophobicContact CG-CE1 4.27Å; P294-F296 HydrophobicContact CG-CE2 3.49Å; P294-F296 VanDerWaalsContact CG-CE2 3.49Å; P294-F296 HydrophobicContact CG-CZ 3.42Å; P294-F296 VanDerWaalsContact CG-CZ 3.42Å
295L96.9Very high95.2Very high117 Ų11763.4 Ų63.461%0.61331%0.311SS*.EExtended strand (participates in β ladder)trans-99.7105.4166.5-59.5-179.7000107.9K254 H288K254-L295 HydrophobicContact CB-CD2 3.61Å; K254-L295 HydrophobicContact CD-CD2 3.57Å; K254-L295 HydrophobicContact CG-CD2 4.26Å; H288-L295 PolarHBondContact CE1-O 3.25Å; H288-L295 PolarHBondContact ND1-O 2.96Å
296F96.5Very high94.8Very high12 Ų1267.2 Ų67.25%0.05333%0.325CS..EExtended strand (participates in β ladder)trans-84.9-54.8-177.8-60.9-74.6000111.1I252 I253 A255 V271 T285 H288 P294 E298I252-F296 HydrophobicContact CB-CB 4.37Å; I252-F296 HydrophobicContact CG2-CB 4.05Å; I252-F296 HydrophobicContact CG2-CD2 3.53Å; I252-F296 HydrophobicContact CG2-CE2 4.25Å; I252-F296 HydrophobicContact CG2-CG 4.01Å; I253-F296 PolarHBondContact O-N 2.83Å; A255-F296 HydrophobicContact CB-CE2 4.24Å; V271-F296 HydrophobicContact CG2-CE1 4.45Å; V271-F296 HydrophobicContact CG2-CE2 3.81Å; V271-F296 HydrophobicContact CG2-CZ 3.77Å; T285-F296 HydrophobicContact CG2-CB 4.43Å; T285-F296 HydrophobicContact CG2-CD1 4.01Å; T285-F296 HydrophobicContact CG2-CG 4.23Å; T285-F296 WeakPolarHBondContact OG1-CE1 3.47Å; H288-F296 AromaticContact CD2-CD1 3.4Å; H288-F296 WeakPolarHBondContact CD2-CD1 3.46Å; H288-F296 AromaticContact CD2-CE1 3.58Å; H288-F296 AromaticContact NE2-CD1 3.61Å; P294-F296 HydrophobicContact CB-CD2 4.4Å; P294-F296 HydrophobicContact CB-CE1 3.98Å; P294-F296 HydrophobicContact CB-CE2 3.86Å; P294-F296 HydrophobicContact CB-CZ 3.61Å; P294-F296 HydrophobicContact CG-CD2 4.38Å; P294-F296 HydrophobicContact CG-CE1 4.27Å; P294-F296 HydrophobicContact CG-CE2 3.49Å; P294-F296 VanDerWaalsContact CG-CE2 3.49Å; P294-F296 HydrophobicContact CG-CZ 3.42Å; P294-F296 VanDerWaalsContact CG-CZ 3.42Å; F296-E298 VanDerWaalsContact C-N 3.27Å; F296-E298 PolarHBondContact O-N 2.9Å
297D96.1Very high94.5Very high104 Ų10465.2 Ų65.256%0.55633%0.328SS*.EExtended strand (participates in β ladder)trans51.339.3-174.7-154.636.2000114.2K251 I252 I253K251-D297 WeakPolarHBondContact CE-OD1 3.29Å; K251-D297 IonicContact NZ-OD1 2.61Å; K251-D297 PolarHBondContact NZ-OD1 3.43Å; I252-D297 CarbonylContact O-C 3.58Å; I252-D297 VanDerWaalsContact O-CA 3.28Å; I252-D297 WeakPolarHBondContact O-CA 3.13Å; I252-D297 PolarHBondContact O-N 3.21Å; I253-D297 PolarHBondContact O-N 2.8Å; I253-D297 VanDerWaalsContact O-N 3.09Å
298E97.3Very high94.2Very high34 Ų3467.5 Ų67.516%0.15934%0.336CS..EExtended strand (participates in β ladder)trans-109.9134-176.6-71.3-175-89.200112.6K251 I252 T285 R286 F296 F300K251-E298 CarbonylContact C-O 3.55Å; K251-E298 WeakPolarHBondContact CA-O 3.19Å; I252-E298 PolarHBondContact N-O 3.14Å; I252-E298 PolarHBondContact O-N 3.47Å; T285-E298 VanDerWaalsContact CA-OE1 3.29Å; T285-E298 WeakPolarHBondContact CA-OE1 3.24Å; T285-E298 VanDerWaalsContact CB-OE1 3.23Å; T285-E298 WeakPolarHBondContact CB-OE1 3.48Å; R286-E298 WeakPolarHBondContact CG-OE2 3.33Å; R286-E298 PolarHBondContact N-OE1 2.82Å; R286-E298 IonicContact NE-OE2 3.53Å; R286-E298 PolarHBondContact NE-OE2 3.28Å; F296-E298 VanDerWaalsContact C-N 3.27Å; F296-E298 PolarHBondContact O-N 2.9Å; E298-F300 HydrophobicContact CB-CE2 3.65Å; E298-F300 HydrophobicContact CB-CZ 3.68Å; E298-F300 WeakPolarHBondContact O-CE2 3.47Å
299T96.9Very high93.9Very high78 Ų7865.1 Ų65.148%0.47933%0.325SS..EExtended strand (participates in β ladder)trans-107.8135.2-178.4-53.90000111.9V249 K251V249-T299 HydrophobicContact CG1-CG2 3.5Å; V249-T299 VanDerWaalsContact CG1-CG2 3.5Å; K251-T299 HydrophobicContact CB-CG2 4.21Å; K251-T299 WeakPolarHBondContact CD-OG1 2.92Å; K251-T299 WeakPolarHBondContact CG-OG1 3.19Å
300F96.5Very high93.5Very high24 Ų2460 Ų6011%0.10532%0.316CS..EExtended strand (participates in β ladder)trans-129.7156.8-178.7-53.7-82.2000110.5V249 V250 I252 M273 F283 T285 E298V249-F300 WeakPolarHBondContact CA-O 3.46Å; V250-F300 PolarHBondContact N-O 2.92Å; V250-F300 PolarHBondContact O-N 3.24Å; I252-F300 HydrophobicContact CG1-CD2 4.48Å; I252-F300 HydrophobicContact CG1-CE2 4.22Å; M273-F300 HydrophobicContact CE-CB 4.41Å; M273-F300 HydrophobicContact CE-CD2 3.26Å; M273-F300 HydrophobicContact CE-CE2 3.66Å; M273-F300 HydrophobicContact CE-CG 3.95Å; M273-F300 HydrophobicContact SD-CB 3.78Å; M273-F300 HydrophobicContact SD-CD2 3.77Å; M273-F300 HydrophobicContact SD-CG 3.84Å; F283-F300 HydrophobicContact CB-CB 4.23Å; F283-F300 HydrophobicContact CB-CD1 3.5Å; F283-F300 VanDerWaalsContact CB-CD1 3.5Å; F283-F300 HydrophobicContact CB-CE1 4.04Å; F283-F300 HydrophobicContact CB-CG 3.93Å; F283-F300 AromaticContact CD1-CD1 3.9Å; F283-F300 HydrophobicContact CD1-CD1 3.9Å; F283-F300 HydrophobicContact CD2-CB 4.14Å; F283-F300 HydrophobicContact CG-CB 4.06Å; F283-F300 AromaticContact CG-CD1 3.81Å; F283-F300 HydrophobicContact CG-CD1 3.81Å; F283-F300 HydrophobicContact CG-CG 4.22Å; T285-F300 HydrophobicContact CG2-CE2 4.02Å; T285-F300 HydrophobicContact CG2-CZ 4.05Å; E298-F300 HydrophobicContact CB-CE2 3.65Å; E298-F300 HydrophobicContact CB-CZ 3.68Å; E298-F300 WeakPolarHBondContact O-CE2 3.47Å
301Q95.1Very high93.2Very high101 Ų10159.6 Ų59.647%0.47232%0.321SS..EExtended strand (participates in β ladder)trans-134.2118.8-173.7-66.1177.4-19.900110.5L247 V249 F283L247-Q301 HydrophobicContact CD1-CB 4.33Å; L247-Q301 HydrophobicContact CD1-CG 4.47Å; V249-Q301 HydrophobicContact CG2-CG 4.41Å; F283-Q301 VanDerWaalsContact CE2-O 3.27Å; F283-Q301 WeakPolarHBondContact CE2-O 3.4Å; F283-Q301 WeakPolarHBondContact CZ-O 3.28Å
302F94Very high92.9Very high4 Ų460.3 Ų60.32%0.01832%0.319CS..EExtended strand (participates in β ladder)trans-100.9117.4173.5-67.6-89.6000110L247 L248 V250 M273 L275 F283 V304 L314L247-F302 WeakPolarHBondContact CA-O 3.46Å; L248-F302 HydrophobicContact CB-CB 4.34Å; L248-F302 PolarHBondContact N-O 2.98Å; L248-F302 PolarHBondContact O-N 3.43Å; V250-F302 HydrophobicContact CB-CE2 4.47Å; V250-F302 HydrophobicContact CG2-CD2 3.91Å; V250-F302 HydrophobicContact CG2-CE2 3.99Å; M273-F302 HydrophobicContact CB-CZ 4.24Å; M273-F302 HydrophobicContact CG-CE2 4.22Å; M273-F302 HydrophobicContact CG-CZ 3.81Å; M273-F302 HydrophobicContact SD-CE2 3.65Å; M273-F302 HydrophobicContact SD-CZ 3.87Å; L275-F302 HydrophobicContact CB-CD1 3.6Å; L275-F302 HydrophobicContact CB-CE1 3.8Å; L275-F302 HydrophobicContact CB-CG 4.09Å; L275-F302 HydrophobicContact CB-CZ 4.42Å; L275-F302 HydrophobicContact CD2-CB 3.87Å; L275-F302 HydrophobicContact CD2-CD1 4.39Å; L275-F302 HydrophobicContact CD2-CG 4.26Å; F283-F302 HydrophobicContact CD2-CD1 4.14Å; F283-F302 HydrophobicContact CD2-CD2 4.44Å; F283-F302 AromaticContact CD2-CE1 3.66Å; F283-F302 HydrophobicContact CD2-CE1 3.66Å; F283-F302 HydrophobicContact CD2-CE2 4.01Å; F283-F302 AromaticContact CD2-CZ 3.61Å; F283-F302 HydrophobicContact CD2-CZ 3.61Å; F283-F302 AromaticContact CE2-CD1 3.78Å; F283-F302 HydrophobicContact CE2-CD1 3.78Å; F283-F302 HydrophobicContact CE2-CD2 4.33Å; F283-F302 AromaticContact CE2-CE1 3.79Å; F283-F302 HydrophobicContact CE2-CE1 3.79Å; F283-F302 HydrophobicContact CE2-CE2 4.34Å; F283-F302 HydrophobicContact CE2-CG 4.08Å; F283-F302 HydrophobicContact CE2-CZ 4.1Å; F302-V304 PolarHBondContact O-N 3.48Å; F302-L314 HydrophobicContact CE2-CD1 3.87Å; F302-L314 HydrophobicContact CZ-CD1 4.17Å
303P92.6Very high92.7Very high72 Ų7262.1 Ų62.147%0.46833%0.325SS..EExtended strand (participates in β ladder)trans-72.5115.9173.128.9-34000110.4L247L247-P303 HydrophobicContact CD2-CB 3.74Å
304V92.1Very high92.6Very high10 Ų1058.7 Ų58.76%0.06131%0.307CS..  trans-160126.8-176.459.60000109.8Y241 E246 L248 L275 F302 Q308 L309 R312Y241-V304 HydrophobicContact CE2-CG1 4.48Å; Y241-V304 WeakPolarHBondContact CE2-O 3.32Å; Y241-V304 PolarHBondContact OH-O 2.63Å; E246-V304 CarbonylContact O-C 3.49Å; E246-V304 PolarHBondContact O-N 3.38Å; E246-V304 VanDerWaalsContact O-O 3.12Å; L248-V304 HydrophobicContact CB-CG1 3.81Å; L275-V304 HydrophobicContact CD2-CB 3.91Å; L275-V304 HydrophobicContact CD2-CG1 3.78Å; L275-V304 HydrophobicContact CD2-CG2 4.16Å; F302-V304 PolarHBondContact O-N 3.48Å; V304-Q308 HydrophobicContact CG2-CB 4.08Å; V304-L309 HydrophobicContact CG1-CD2 3.6Å; V304-L309 HydrophobicContact CG1-CG 4.47Å; V304-L309 HydrophobicContact CG2-CD2 4.29Å; V304-R312 HydrophobicContact CG2-CG 4.3Å
305A92.8Very high92.4Very high26 Ų2659.7 Ų59.722%0.21531%0.311CS..  trans-66142.6175.600000111.7D307 Q308A305-D307 PolarHBondContact O-N 3.31Å; A305-Q308 HydrophobicContact CB-CG 4.44Å; A305-Q308 WeakPolarHBondContact O-CB 3.27Å; A305-Q308 PolarHBondContact O-N 3.46Å
306Y90.7Very high92.3Very high83 Ų8354.1 Ų54.133%0.32528%0.282SS..G310 helixtrans-53.4-47.7-170.7-175-103.1000113.1Y241 Y243 Q308 L309 F339Y241-Y306 AromaticContact CD1-CD2 3.63Å; Y241-Y306 HydrophobicContact CD1-CD2 3.63Å; Y241-Y306 HydrophobicContact CD1-CE2 4.3Å; Y241-Y306 AromaticContact CE1-CD2 3.66Å; Y241-Y306 HydrophobicContact CE1-CD2 3.66Å; Y241-Y306 HydrophobicContact CE1-CG 4.19Å; Y241-Y306 HydrophobicContact CG-CD2 4.09Å; Y241-Y306 PolarHBondContact OH-N 3.44Å; Y243-Y306 HydrophobicContact CD1-CD2 4.32Å; Y243-Y306 AromaticContact CE1-CD2 3.55Å; Y243-Y306 HydrophobicContact CE1-CD2 3.55Å; Y243-Y306 AromaticContact CE1-CE2 3.5Å; Y243-Y306 HydrophobicContact CE1-CE2 3.5Å; Y243-Y306 VanDerWaalsContact CE1-CE2 3.5Å; Y243-Y306 HydrophobicContact CE1-CG 4.11Å; Y243-Y306 AromaticContact CZ-CE2 3.71Å; Y243-Y306 VanDerWaalsContact OH-CE2 3.26Å; Y243-Y306 WeakPolarHBondContact OH-CE2 3.14Å; Y306-Q308 PolarHBondContact O-N 3.38Å; Y306-Q308 VanDerWaalsContact O-N 3.1Å; Y306-L309 HydrophobicContact CD2-CD1 3.77Å; Y306-L309 HydrophobicContact CE2-CD1 4.29Å; Y306-L309 HydrophobicContact CG-CD1 4.44Å; Y306-L309 VanDerWaalsContact O-CB 3.27Å; Y306-L309 WeakPolarHBondContact O-CB 3.15Å; Y306-L309 WeakPolarHBondContact O-CG 3.43Å; Y306-L309 PolarHBondContact O-N 3.42Å; Y306-F339 AromaticContact CE2-CE1 3.81Å; Y306-F339 HydrophobicContact CE2-CE1 3.81Å; Y306-F339 HydrophobicContact CE2-CZ 4.18Å; Y306-F339 AromaticContact CZ-CE1 3.71Å
307D90.3Very high92.2Very high138 Ų13853.7 Ų53.774%0.73828%0.281SS*.G310 helixtrans-58.8-28-179-59.7-15000112.9A305 S310A305-D307 PolarHBondContact O-N 3.31Å; D307-S310 PolarHBondContact O-OG 3.45Å
308Q88.9Confident92.1Very high91 Ų9148.8 Ų48.843%0.42525%0.254SS..G310 helixtrans-77.3-22.9179.1-59.3-172.522.300113.1V304 A305 Y306 S310 N311 R312V304-Q308 HydrophobicContact CG2-CB 4.08Å; A305-Q308 HydrophobicContact CB-CG 4.44Å; A305-Q308 WeakPolarHBondContact O-CB 3.27Å; A305-Q308 PolarHBondContact O-N 3.46Å; Y306-Q308 PolarHBondContact O-N 3.38Å; Y306-Q308 VanDerWaalsContact O-N 3.1Å; Q308-S310 PolarHBondContact O-N 2.94Å; Q308-S310 VanDerWaalsContact O-N 3.14Å; Q308-N311 PolarHBondContact O-N 2.9Å; Q308-R312 WeakPolarHBondContact O-CG 3.34Å
309L87.9Confident91.9Very high1 Ų149.3 Ų49.31%0.00526%0.255CS..G310 helixtrans-55.7-34-175-70.6169.6000112.7Y241 L248 V304 Y306 N311 R312 L338 F339 L344Y241-L309 HydrophobicContact CD2-CD1 3.68Å; Y241-L309 HydrophobicContact CE2-CD1 3.87Å; Y241-L309 HydrophobicContact CG-CD1 4.25Å; L248-L309 HydrophobicContact CB-CD2 4.34Å; L248-L309 HydrophobicContact CD2-CD2 4.16Å; V304-L309 HydrophobicContact CG1-CD2 3.6Å; V304-L309 HydrophobicContact CG1-CG 4.47Å; V304-L309 HydrophobicContact CG2-CD2 4.29Å; Y306-L309 HydrophobicContact CD2-CD1 3.77Å; Y306-L309 HydrophobicContact CE2-CD1 4.29Å; Y306-L309 HydrophobicContact CG-CD1 4.44Å; Y306-L309 VanDerWaalsContact O-CB 3.27Å; Y306-L309 WeakPolarHBondContact O-CB 3.15Å; Y306-L309 WeakPolarHBondContact O-CG 3.43Å; Y306-L309 PolarHBondContact O-N 3.42Å; L309-N311 PolarHBondContact O-N 3.16Å; L309-N311 VanDerWaalsContact O-N 3.16Å; L309-R312 PolarHBondContact O-N 3.23Å; L309-L338 HydrophobicContact CD2-CD1 3.99Å; L309-F339 HydrophobicContact CB-CE2 3.82Å; L309-F339 HydrophobicContact CB-CZ 3.78Å; L309-F339 HydrophobicContact CD1-CZ 4.07Å; L309-L344 HydrophobicContact CD1-CD1 3.89Å
310S86.6Confident91.6Very high67 Ų6745.8 Ų45.847%0.46923%0.233SC..G310 helixtrans-58-25.517758.80000113.9D307 Q308D307-S310 PolarHBondContact O-OG 3.45Å; Q308-S310 PolarHBondContact O-N 2.94Å; Q308-S310 VanDerWaalsContact O-N 3.14Å
311N85.6Confident91.3Very high134 Ų13447 Ų4772%0.71724%0.239SC*.G310 helixtrans-108.711.8180-63.7-70.1000112.6Q308 L309Q308-N311 PolarHBondContact O-N 2.9Å; L309-N311 PolarHBondContact O-N 3.16Å; L309-N311 VanDerWaalsContact O-N 3.16Å
312R87.1Confident90.4Very high52 Ų5244.3 Ų44.320%0.19623%0.228CC..  trans-109.8146.8178.2-62.1-60.8-179.3143.21.1110.7L275 L276 V304 Q308 L309L275-R312 HydrophobicContact CD1-CB 3.8Å; L275-R312 HydrophobicContact CD1-CG 4.45Å; L275-R312 HydrophobicContact CD2-CG 4.45Å; L275-R312 HydrophobicContact CG-CB 4.12Å; L275-R312 HydrophobicContact CG-CG 4.29Å; L276-R312 WeakPolarHBondContact O-CA 3.48Å; L276-R312 VanDerWaalsContact O-CD 3.22Å; L276-R312 WeakPolarHBondContact O-CD 3.21Å; V304-R312 HydrophobicContact CG2-CG 4.3Å; Q308-R312 WeakPolarHBondContact O-CG 3.34Å; L309-R312 PolarHBondContact O-N 3.23Å
313K90.8Very high89.5Confident84 Ų8453.3 Ų53.337%0.36526%0.261SS..EExtended strand (participates in β ladder)trans-117.4130.8173-51.2-176.9159.7-151.70109.4L275 L276 L335 D336L275-K313 CarbonylContact C-O 3.57Å; L276-K313 HydrophobicContact CB-CB 4.2Å; L276-K313 PolarHBondContact N-O 3.14Å; L276-K313 PolarHBondContact O-N 3.34Å; L276-K313 VanDerWaalsContact O-N 3.14Å; K313-L335 VanDerWaalsContact CA-O 3.24Å; K313-L335 WeakPolarHBondContact CA-O 3.43Å; K313-D336 WeakPolarHBondContact CD-OD1 3.26Å; K313-D336 WeakPolarHBondContact CE-OD1 3.27Å; K313-D336 IonicContact NZ-OD1 3.34Å; K313-D336 PolarHBondContact NZ-OD1 2.76Å; K313-D336 IonicContact NZ-OD2 2.72Å; K313-D336 PolarHBondContact NZ-OD2 3.13Å
314L93.1Very high87.7Confident0 Ų058.4 Ų58.40%028%0.277CS..EExtended strand (participates in β ladder)trans-92119.2174.1-175.662000108.6L239 V250 L275 F302 F316 L335 L338L239-L314 HydrophobicContact CD2-CD2 3.6Å; V250-L314 HydrophobicContact CG1-CD2 4.08Å; V250-L314 HydrophobicContact CG2-CD1 4.42Å; V250-L314 HydrophobicContact CG2-CD2 3.84Å; L275-L314 HydrophobicContact CD1-CB 4.49Å; L275-L314 HydrophobicContact CD1-CD1 4.42Å; F302-L314 HydrophobicContact CE2-CD1 3.87Å; F302-L314 HydrophobicContact CZ-CD1 4.17Å; L314-F316 HydrophobicContact CD1-CE1 4.4Å; L314-F316 HydrophobicContact CD1-CZ 4.46Å; L314-F316 HydrophobicContact CD2-CE1 4.12Å; L314-F316 HydrophobicContact CD2-CE2 3.97Å; L314-F316 HydrophobicContact CD2-CZ 3.42Å; L314-F316 VanDerWaalsContact CD2-CZ 3.42Å; L314-F316 HydrophobicContact CG-CE1 4.11Å; L314-F316 HydrophobicContact CG-CE2 4.09Å; L314-F316 HydrophobicContact CG-CZ 3.73Å; L314-L335 HydrophobicContact CB-CB 4.29Å; L314-L335 HydrophobicContact CB-CD1 4.33Å; L314-L335 HydrophobicContact CD2-CD1 4.2Å; L314-L335 PolarHBondContact N-O 3.31Å; L314-L335 VanDerWaalsContact N-O 3.09Å; L314-L335 PolarHBondContact O-N 3.31Å; L314-L338 HydrophobicContact CB-CD2 3.62Å; L314-L338 HydrophobicContact CD2-CD2 4.42Å
315H93.1Very high86.1Confident22 Ų2261.4 Ų61.410%0.10230%0.298CS..EExtended strand (participates in β ladder)trans-113.9121.8-176.8177.1-144.8000109.8M273 Y274 L276 S317 E332M273-H315 CarbonylContact C-O 3.58Å; M273-H315 VanDerWaalsContact CA-O 3.27Å; M273-H315 WeakPolarHBondContact CA-O 3.4Å; Y274-H315 AromaticContact CD2-ND1 3.78Å; Y274-H315 PolarHBondContact N-O 3.45Å; Y274-H315 PolarHBondContact O-N 2.72Å; L276-H315 HydrophobicContact CD1-CB 3.87Å; L276-H315 HydrophobicContact CG-CB 4.14Å; H315-S317 PolarHBondContact CE1-OG 3.05Å; H315-S317 VanDerWaalsContact CE1-OG 3.25Å; H315-S317 PolarHBondContact NE2-OG 3.32Å; H315-E332 IonicContact CD2-OE2 3.88Å; H315-E332 IonicContact CE1-OE2 2.66Å; H315-E332 IonicContact NE2-OE2 2.7Å; H315-E332 PolarHBondContact NE2-OE2 2.9Å
316F95.3Very high84.5Confident0 Ų065.5 Ų65.50%031%0.308CS..EExtended strand (participates in β ladder)trans-105131.3170.4-55.8-67.1000109.5L235 F237 V250 I252 V271 K272 M273 L314 E332 V333 L335L235-F316 HydrophobicContact CD2-CB 3.85Å; L235-F316 HydrophobicContact CD2-CD1 4.44Å; L235-F316 HydrophobicContact CD2-CD2 3.92Å; L235-F316 HydrophobicContact CD2-CG 3.82Å; F237-F316 AromaticContact CD1-CE2 3.91Å; F237-F316 HydrophobicContact CD1-CE2 3.91Å; F237-F316 HydrophobicContact CD1-CZ 4.35Å; F237-F316 HydrophobicContact CD2-CE2 4.09Å; F237-F316 HydrophobicContact CD2-CZ 4.08Å; F237-F316 HydrophobicContact CE1-CD2 4.34Å; F237-F316 AromaticContact CE1-CE2 3.79Å; F237-F316 HydrophobicContact CE1-CE2 3.79Å; F237-F316 AromaticContact CE2-CE2 3.98Å; F237-F316 HydrophobicContact CE2-CE2 3.98Å; F237-F316 HydrophobicContact CE2-CZ 4.34Å; F237-F316 HydrophobicContact CG-CE2 4.08Å; F237-F316 HydrophobicContact CG-CZ 4.09Å; F237-F316 AromaticContact CZ-CE2 3.83Å; F237-F316 HydrophobicContact CZ-CE2 3.83Å; V250-F316 HydrophobicContact CG1-CE1 3.8Å; V250-F316 HydrophobicContact CG1-CZ 3.78Å; I252-F316 HydrophobicContact CD1-CD1 4.05Å; I252-F316 HydrophobicContact CD1-CE1 3.56Å; I252-F316 HydrophobicContact CD1-CZ 4.07Å; V271-F316 HydrophobicContact CG1-CB 4.13Å; V271-F316 HydrophobicContact CG1-CD1 4.27Å; K272-F316 WeakPolarHBondContact O-CA 3.21Å; M273-F316 HydrophobicContact CB-CD1 3.76Å; M273-F316 HydrophobicContact CB-CE1 4.01Å; M273-F316 HydrophobicContact CE-CD1 4.44Å; M273-F316 HydrophobicContact CE-CE1 4.07Å; L314-F316 HydrophobicContact CD1-CE1 4.4Å; L314-F316 HydrophobicContact CD1-CZ 4.46Å; L314-F316 HydrophobicContact CD2-CE1 4.12Å; L314-F316 HydrophobicContact CD2-CE2 3.97Å; L314-F316 HydrophobicContact CD2-CZ 3.42Å; L314-F316 VanDerWaalsContact CD2-CZ 3.42Å; L314-F316 HydrophobicContact CG-CE1 4.11Å; L314-F316 HydrophobicContact CG-CE2 4.09Å; L314-F316 HydrophobicContact CG-CZ 3.73Å; F316-E332 CarbonylContact O-C 3.58Å; F316-E332 WeakPolarHBondContact O-CA 3.36Å; F316-E332 WeakPolarHBondContact O-CB 3.33Å; F316-V333 HydrophobicContact CB-CB 4.24Å; F316-V333 HydrophobicContact CD2-CB 4.1Å; F316-V333 HydrophobicContact CD2-CG1 4.19Å; F316-V333 PolarHBondContact N-O 2.89Å; F316-V333 PolarHBondContact O-N 3.42Å; F316-L335 HydrophobicContact CE2-CD1 4.16Å
317S93.2Very high84Confident3 Ų364.9 Ų64.92%0.02131%0.307CS..EExtended strand (participates in β ladder)trans-120115.6173.3-48.10000108.5K272 H315 Y319K272-S317 PolarHBondContact N-O 2.86Å; K272-S317 PolarHBondContact O-N 2.98Å; H315-S317 PolarHBondContact CE1-OG 3.05Å; H315-S317 VanDerWaalsContact CE1-OG 3.25Å; H315-S317 PolarHBondContact NE2-OG 3.32Å; S317-Y319 VanDerWaalsContact CB-CE2 3.47Å; S317-Y319 WeakPolarHBondContact O-CD2 3.41Å
318V94.7Very high83.6Confident0 Ų061.7 Ų61.70%029%0.29CS..EExtended strand (participates in β ladder)trans-93128.1180-1700000108.4L258 V271 I330 G331 I354L258-V318 HydrophobicContact CD1-CG1 4.41Å; L258-V318 HydrophobicContact CD2-CG1 4.34Å; V271-V318 HydrophobicContact CG2-CG2 4.29Å; V318-I330 HydrophobicContact CB-CB 4.31Å; V318-I330 HydrophobicContact CG1-CB 4.18Å; V318-I330 HydrophobicContact CG1-CD1 4.25Å; V318-I330 HydrophobicContact CG1-CG2 4.32Å; V318-I330 WeakPolarHBondContact O-CB 3.21Å; V318-I330 PolarHBondContact O-N 2.95Å; V318-G331 PolarHBondContact N-O 2.97Å; V318-G331 PolarHBondContact O-N 2.79Å; V318-I354 HydrophobicContact CG2-CD1 4.06Å; V318-I354 HydrophobicContact CG2-CG1 4.37Å; V318-I354 HydrophobicContact CG2-CG2 4.4Å
319Y92.6Very high83.4Confident46 Ų4658.8 Ų58.818%0.1828%0.277CS..EExtended strand (participates in β ladder)trans-127.9152.1-177.2-72.9-85.4000110.7P269 Y270 K272 S317 H327 D328 M329P269-Y319 CarbonylContact C-O 3.5Å; P269-Y319 VanDerWaalsContact CA-O 3.28Å; P269-Y319 WeakPolarHBondContact CA-O 3.28Å; Y270-Y319 HydrophobicContact CE1-CG 4.3Å; Y270-Y319 HydrophobicContact CE2-CD2 4.22Å; Y270-Y319 HydrophobicContact CE2-CG 4.42Å; Y270-Y319 AromaticContact CZ-CG 3.84Å; Y270-Y319 PolarHBondContact N-O 3.32Å; Y270-Y319 PolarHBondContact O-N 3.26Å; Y270-Y319 VanDerWaalsContact OH-CB 3.3Å; Y270-Y319 WeakPolarHBondContact OH-CB 3.39Å; K272-Y319 HydrophobicContact CB-CE2 4.38Å; K272-Y319 HydrophobicContact CD-CD2 4.05Å; K272-Y319 HydrophobicContact CD-CE2 3.74Å; K272-Y319 HydrophobicContact CG-CD2 4.42Å; K272-Y319 HydrophobicContact CG-CE2 4.41Å; S317-Y319 VanDerWaalsContact CB-CE2 3.47Å; S317-Y319 WeakPolarHBondContact O-CD2 3.41Å; Y319-H327 HydrophobicContact CD1-CB 4.49Å; Y319-D328 CarbonylContact C-O 3.54Å; Y319-D328 VanDerWaalsContact CA-O 3.29Å; Y319-D328 WeakPolarHBondContact CA-O 3.49Å; Y319-M329 HydrophobicContact CD1-CB 4Å; Y319-M329 HydrophobicContact CD1-CG 4.24Å; Y319-M329 HydrophobicContact CE1-CB 3.75Å; Y319-M329 HydrophobicContact CE1-CG 3.85Å; Y319-M329 HydrophobicContact CE1-SD 4.31Å
320D91.1Very high83.5Confident3 Ų358.9 Ų58.92%0.01628%0.278CS..EExtended strand (participates in β ladder)trans-84.9138.5160-165.812.7000110K261 D268 H327 D328 I330K261-D320 HydrophobicContact CB-CB 4.09Å; K261-D320 WeakPolarHBondContact CB-OD2 3.49Å; K261-D320 HydrophobicContact CG-CB 4.45Å; D268-D320 WeakPolarHBondContact CA-OD1 3.49Å; D268-D320 PolarHBondContact N-OD1 2.83Å; D320-H327 CarbonylContact O-C 3.58Å; D320-H327 VanDerWaalsContact O-CA 3.31Å; D320-H327 WeakPolarHBondContact O-CA 3.22Å; D320-H327 WeakPolarHBondContact O-CB 3.32Å; D320-D328 HydrophobicContact CB-CB 4.03Å; D320-D328 PolarHBondContact N-O 2.97Å; D320-D328 PolarHBondContact O-N 2.82Å; D320-I330 HydrophobicContact CB-CD1 4.2Å; D320-I330 HydrophobicContact CB-CG1 4.37Å
321F89.2Confident83.8Confident51 Ų5155.7 Ų55.722%0.22426%0.255CS..  trans-92.8128.7177173.5-87.5000110.5D268 Y270 V287 R323 H327D268-F321 HydrophobicContact CB-CB 3.98Å; D268-F321 VanDerWaalsContact O-CB 3.27Å; D268-F321 WeakPolarHBondContact O-CB 3.04Å; D268-F321 PolarHBondContact O-N 3.38Å; Y270-F321 HydrophobicContact CD1-CB 3.86Å; Y270-F321 HydrophobicContact CE1-CB 4.01Å; V287-F321 HydrophobicContact CB-CB 4.33Å; V287-F321 HydrophobicContact CB-CG 4.43Å; V287-F321 HydrophobicContact CG1-CB 3.47Å; V287-F321 VanDerWaalsContact CG1-CB 3.47Å; V287-F321 HydrophobicContact CG1-CD1 4.07Å; V287-F321 HydrophobicContact CG1-CG 3.76Å; V287-F321 HydrophobicContact CG2-CB 3.84Å; V287-F321 HydrophobicContact CG2-CD2 3.77Å; V287-F321 HydrophobicContact CG2-CG 3.83Å; F321-R323 HydrophobicContact CE1-CB 4.4Å; F321-H327 AromaticContact CD2-CE1 3.3Å; F321-H327 WeakPolarHBondContact CD2-CE1 3.13Å; F321-H327 AromaticContact CD2-ND1 3.97Å; F321-H327 AromaticContact CD2-NE2 3.52Å; F321-H327 AromaticContact CE2-CE1 3.51Å; F321-H327 AromaticContact CE2-NE2 3.48Å; F321-H327 WeakPolarHBondContact CE2-NE2 3.43Å
322D77.3Confident84.1Confident44 Ų4451.2 Ų51.224%0.23523%0.23CC..  trans-126.2133-176.3-147.1-23000110.9S325 H327D322-S325 PolarHBondContact OD1-OG 2.97Å; D322-S325 WeakPolarHBondContact OD2-CB 3.44Å; D322-S325 PolarHBondContact OD2-OG 2.79Å; D322-H327 PolarHBondContact N-CD2 2.95Å; D322-H327 PolarHBondContact O-CD2 2.93Å; D322-H327 PolarHBondContact O-NE2 2.9Å
323R75.4Confident84.4Confident193 Ų19348.9 Ų48.973%0.72822%0.222SC*.SBendtrans-82.8-31.4-172.4-177.3174.6178.7-174.50.3113F321F321-R323 HydrophobicContact CE1-CB 4.4Å
324F55Low84.4Confident179 Ų17948.6 Ų48.679%0.78522%0.223SC*.SBendtrans-124.10.7-171.6-56.7-67.2000112.9
325S56.6Low84.4Confident72 Ų7248.7 Ų48.750%0.50322%0.224SC..SBendtrans-128.9-179.9179.4-9.80000110.3D322D322-S325 PolarHBondContact OD1-OG 2.97Å; D322-S325 WeakPolarHBondContact OD2-CB 3.44Å; D322-S325 PolarHBondContact OD2-OG 2.79Å
326R61Low84Confident112 Ų11252 Ų5242%0.42324%0.242SC..PPolyproline II helixtrans-74.5145.3168.6-65.6171.7172.8-141.1-14.5109.1D328 M393 E462R326-D328 PolarHBondContact O-N 3.34Å; R326-M393 PolarHBondContact NH1-SD 3.4Å; R326-M393 PolarHBondContact NH2-SD 3.03Å; R326-E462 IonicContact CZ-OE1 3.99Å; R326-E462 IonicContact CZ-OE2 3.78Å; R326-E462 IonicContact NE-OE1 2.64Å; R326-E462 IonicContact NE-OE2 2.83Å; R326-E462 VanDerWaalsContact NH2-CD 3.35Å; R326-E462 IonicContact NH2-OE1 2.85Å; R326-E462 PolarHBondContact NH2-OE1 3.26Å; R326-E462 IonicContact NH2-OE2 2.82Å; R326-E462 PolarHBondContact NH2-OE2 2.77Å
327H79.9Confident83.4Confident70 Ų7055 Ų5532%0.32426%0.258SS..PPolyproline II helixtrans-68.8118.1179.2-64-173.1000110.3Y270 Y319 D320 F321 D322Y270-H327 HydrophobicContact CE1-CB 4.34Å; Y270-H327 AromaticContact CE1-ND1 3.55Å; Y270-H327 AromaticContact CZ-ND1 3.42Å; Y270-H327 PolarHBondContact OH-ND1 2.85Å; Y319-H327 HydrophobicContact CD1-CB 4.49Å; D320-H327 CarbonylContact O-C 3.58Å; D320-H327 VanDerWaalsContact O-CA 3.31Å; D320-H327 WeakPolarHBondContact O-CA 3.22Å; D320-H327 WeakPolarHBondContact O-CB 3.32Å; F321-H327 AromaticContact CD2-CE1 3.3Å; F321-H327 WeakPolarHBondContact CD2-CE1 3.13Å; F321-H327 AromaticContact CD2-ND1 3.97Å; F321-H327 AromaticContact CD2-NE2 3.52Å; F321-H327 AromaticContact CE2-CE1 3.51Å; F321-H327 AromaticContact CE2-NE2 3.48Å; F321-H327 WeakPolarHBondContact CE2-NE2 3.43Å; D322-H327 PolarHBondContact N-CD2 2.95Å; D322-H327 PolarHBondContact O-CD2 2.93Å; D322-H327 PolarHBondContact O-NE2 2.9Å
328D80.2Confident83.1Confident71 Ų7154.8 Ų54.838%0.3826%0.257SS..PPolyproline II helixtrans-70.9132.8-176-117.434.3000111.4K261 Y319 D320 R326 I330K261-D328 WeakPolarHBondContact CD-OD2 3.29Å; K261-D328 IonicContact NZ-OD2 3.7Å; K261-D328 PolarHBondContact NZ-OD2 2.98Å; Y319-D328 CarbonylContact C-O 3.54Å; Y319-D328 VanDerWaalsContact CA-O 3.29Å; Y319-D328 WeakPolarHBondContact CA-O 3.49Å; D320-D328 HydrophobicContact CB-CB 4.03Å; D320-D328 PolarHBondContact N-O 2.97Å; D320-D328 PolarHBondContact O-N 2.82Å; R326-D328 PolarHBondContact O-N 3.34Å; D328-I330 PolarHBondContact O-N 3.46Å
329M86.1Confident82.6Confident31 Ų3158.3 Ų58.315%0.15327%0.272CS..EExtended strand (participates in β ladder)trans-77.9125173.4-164168.6166.500109.2K261 Y319 E332 A357K261-M329 PolarHBondContact NZ-O 2.9Å; Y319-M329 HydrophobicContact CD1-CB 4Å; Y319-M329 HydrophobicContact CD1-CG 4.24Å; Y319-M329 HydrophobicContact CE1-CB 3.75Å; Y319-M329 HydrophobicContact CE1-CG 3.85Å; Y319-M329 HydrophobicContact CE1-SD 4.31Å; M329-E332 HydrophobicContact CE-CB 3.77Å; M329-E332 HydrophobicContact CE-CG 4.13Å; M329-A357 HydrophobicContact CB-CB 4.05Å; M329-A357 HydrophobicContact CE-CB 4.06Å; M329-A357 HydrophobicContact CG-CB 3.71Å; M329-A357 HydrophobicContact SD-CB 3.87Å
330I90.6Very high82.1Confident2 Ų263.7 Ų63.71%0.0130%0.299CS..EExtended strand (participates in β ladder)trans-83.6-47.1174.3-70.6171.7000109C232 L258 P259 K261 P269 V318 D320 D328 A357C232-I330 HydrophobicContact CB-CG2 4.07Å; C232-I330 PolarHBondContact SG-O 3Å; C232-I330 VanDerWaalsContact SG-O 3.4Å; L258-I330 HydrophobicContact CD1-CD1 4.45Å; L258-I330 HydrophobicContact CD2-CG2 4.25Å; P259-I330 HydrophobicContact CG-CG2 3.72Å; K261-I330 HydrophobicContact CG-CG1 4.14Å; P269-I330 HydrophobicContact CB-CD1 4.43Å; V318-I330 HydrophobicContact CB-CB 4.31Å; V318-I330 HydrophobicContact CG1-CB 4.18Å; V318-I330 HydrophobicContact CG1-CD1 4.25Å; V318-I330 HydrophobicContact CG1-CG2 4.32Å; V318-I330 WeakPolarHBondContact O-CB 3.21Å; V318-I330 PolarHBondContact O-N 2.95Å; D320-I330 HydrophobicContact CB-CD1 4.2Å; D320-I330 HydrophobicContact CB-CG1 4.37Å; D328-I330 PolarHBondContact O-N 3.46Å; I330-A357 PolarHBondContact O-N 3.08Å
331G91.6Very high81.4Confident0 Ų065.1 Ų65.10%031%0.308CS..EExtended strand (participates in β ladder)trans170.2-171.5179.900000113.5V318 H355V318-G331 PolarHBondContact N-O 2.97Å; V318-G331 PolarHBondContact O-N 2.79Å; G331-H355 CarbonylContact C-O 3.59Å; G331-H355 WeakPolarHBondContact CA-O 3.16Å
332E92.7Very high81Confident41 Ų4163.1 Ų63.119%0.19230%0.3CS..EExtended strand (participates in β ladder)trans-139.8160.3-178.358.6177.3-16000114.1H315 F316 M329 H355H315-E332 IonicContact CD2-OE2 3.88Å; H315-E332 IonicContact CE1-OE2 2.66Å; H315-E332 IonicContact NE2-OE2 2.7Å; H315-E332 PolarHBondContact NE2-OE2 2.9Å; F316-E332 CarbonylContact O-C 3.58Å; F316-E332 WeakPolarHBondContact O-CA 3.36Å; F316-E332 WeakPolarHBondContact O-CB 3.33Å; M329-E332 HydrophobicContact CE-CB 3.77Å; M329-E332 HydrophobicContact CE-CG 4.13Å; E332-H355 PolarHBondContact N-O 3.5Å; E332-H355 PolarHBondContact O-N 2.94Å
333V93.3Very high81.1Confident3 Ų366.1 Ų66.12%0.01832%0.317CS..EExtended strand (participates in β ladder)trans-133.2121.3170.8178.60000107L235 F316 L335 K352 I354L235-V333 HydrophobicContact CB-CG2 4.35Å; L235-V333 HydrophobicContact CD2-CG2 4.44Å; F316-V333 HydrophobicContact CB-CB 4.24Å; F316-V333 HydrophobicContact CD2-CB 4.1Å; F316-V333 HydrophobicContact CD2-CG1 4.19Å; F316-V333 PolarHBondContact N-O 2.89Å; F316-V333 PolarHBondContact O-N 3.42Å; V333-L335 HydrophobicContact CG1-CD2 4.01Å; V333-K352 HydrophobicContact CG1-CB 3.59Å; V333-K352 HydrophobicContact CG1-CG 3.93Å; V333-K352 HydrophobicContact CG2-CB 4.34Å; V333-I354 HydrophobicContact CG2-CB 4.44Å; V333-I354 HydrophobicContact CG2-CG1 4Å
334I91.4Very high81.6Confident77 Ų7757.1 Ų57.140%0.39528%0.283SS..EExtended strand (participates in β ladder)trans-111.4127.2176.1-60.2168.2000108.3D336I334-D336 VanDerWaalsContact CG2-OD1 3.24Å; I334-D336 WeakPolarHBondContact CG2-OD1 3.45Å
335L91.3Very high82.9Confident3 Ų351.4 Ų51.42%0.01627%0.265CS..EExtended strand (participates in β ladder)trans-105.7104171.2-50-175.9000108.7F237 L239 K313 L314 F316 V333 L338 V341 K352F237-L335 HydrophobicContact CE2-CD1 3.71Å; F237-L335 HydrophobicContact CZ-CD1 3.68Å; F237-L335 HydrophobicContact CZ-CD2 4.17Å; F237-L335 HydrophobicContact CZ-CG 4.43Å; L239-L335 HydrophobicContact CD1-CD1 3.99Å; K313-L335 VanDerWaalsContact CA-O 3.24Å; K313-L335 WeakPolarHBondContact CA-O 3.43Å; L314-L335 HydrophobicContact CB-CB 4.29Å; L314-L335 HydrophobicContact CB-CD1 4.33Å; L314-L335 HydrophobicContact CD2-CD1 4.2Å; L314-L335 PolarHBondContact N-O 3.31Å; L314-L335 VanDerWaalsContact N-O 3.09Å; L314-L335 PolarHBondContact O-N 3.31Å; F316-L335 HydrophobicContact CE2-CD1 4.16Å; V333-L335 HydrophobicContact CG1-CD2 4.01Å; L335-L338 HydrophobicContact CB-CD2 3.84Å; L335-L338 HydrophobicContact CD1-CD2 4.08Å; L335-V341 HydrophobicContact CD1-CG1 4.29Å; L335-V341 HydrophobicContact CD2-CG1 4.28Å; L335-V341 HydrophobicContact CD2-CG2 4.33Å; L335-K352 HydrophobicContact CD2-CD 4.39Å; L335-K352 HydrophobicContact CD2-CG 4.02Å
336D85.1Confident84.3Confident91 Ų9156.9 Ų56.949%0.48728%0.275SS..SBendtrans-75.8-34.6-177.7-86.55.2000113.5K313 I334K313-D336 WeakPolarHBondContact CD-OD1 3.26Å; K313-D336 WeakPolarHBondContact CE-OD1 3.27Å; K313-D336 IonicContact NZ-OD1 3.34Å; K313-D336 PolarHBondContact NZ-OD1 2.76Å; K313-D336 IonicContact NZ-OD2 2.72Å; K313-D336 PolarHBondContact NZ-OD2 3.13Å; I334-D336 VanDerWaalsContact CG2-OD1 3.24Å; I334-D336 WeakPolarHBondContact CG2-OD1 3.45Å
337N84.2Confident85.4Confident62 Ų6256.7 Ų56.733%0.33228%0.278SS..  trans-132.4105.6178.7-179.55.9000109.4F339 E340 V341N337-F339 VanDerWaalsContact C-N 3.29Å; N337-F339 PolarHBondContact O-N 2.82Å; N337-F339 PolarHBondContact OD1-N 2.88Å; N337-E340 HydrophobicContact CB-CB 4.13Å; N337-E340 PolarHBondContact O-N 3.22Å; N337-V341 WeakPolarHBondContact O-CG2 3.18Å
338L85.5Confident85.5Confident0 Ų055 Ų550%028%0.277CS..Hα-helixtrans-65.8-32-175.3-59.1176.2000112.7L239 L248 L275 L309 L314 L335 V341 S342 L344L239-L338 HydrophobicContact CD1-CD2 4.46Å; L248-L338 HydrophobicContact CD2-CD1 3.86Å; L275-L338 HydrophobicContact CD1-CD1 4.47Å; L309-L338 HydrophobicContact CD2-CD1 3.99Å; L314-L338 HydrophobicContact CB-CD2 3.62Å; L314-L338 HydrophobicContact CD2-CD2 4.42Å; L335-L338 HydrophobicContact CB-CD2 3.84Å; L335-L338 HydrophobicContact CD1-CD2 4.08Å; L338-V341 PolarHBondContact O-N 3.27Å; L338-S342 PolarHBondContact O-N 2.87Å; L338-S342 VanDerWaalsContact O-N 3.11Å; L338-L344 HydrophobicContact CB-CD1 4.28Å
339F84.8Confident86.1Confident73 Ų7355.9 Ų55.932%0.3229%0.285SS..Hα-helixtrans-74.2-23.2-178.9-60.1-76.7000113.9Y306 L309 N337 L344Y306-F339 AromaticContact CE2-CE1 3.81Å; Y306-F339 HydrophobicContact CE2-CE1 3.81Å; Y306-F339 HydrophobicContact CE2-CZ 4.18Å; Y306-F339 AromaticContact CZ-CE1 3.71Å; L309-F339 HydrophobicContact CB-CE2 3.82Å; L309-F339 HydrophobicContact CB-CZ 3.78Å; L309-F339 HydrophobicContact CD1-CZ 4.07Å; N337-F339 VanDerWaalsContact C-N 3.29Å; N337-F339 PolarHBondContact O-N 2.82Å; N337-F339 PolarHBondContact OD1-N 2.88Å; F339-L344 HydrophobicContact CD1-CD1 3.97Å; F339-L344 HydrophobicContact CD1-CG 4.44Å; F339-L344 HydrophobicContact CE1-CD1 3.75Å; F339-L344 HydrophobicContact CZ-CD1 4.3Å
340E81.1Confident86.4Confident159 Ų15955 Ų5574%0.74328%0.282SS*.Hα-helixtrans-77.2-27.8173.6-177.3180169.200111.6N337N337-E340 HydrophobicContact CB-CB 4.13Å; N337-E340 PolarHBondContact O-N 3.22Å
341V76.8Confident86.6Confident34 Ų3460.2 Ų60.221%0.20630%0.301CS..Hα-helixtrans-91.6-29.7-173.61790000112.2L335 N337 L338 V350L335-V341 HydrophobicContact CD1-CG1 4.29Å; L335-V341 HydrophobicContact CD2-CG1 4.28Å; L335-V341 HydrophobicContact CD2-CG2 4.33Å; N337-V341 WeakPolarHBondContact O-CG2 3.18Å; L338-V341 PolarHBondContact O-N 3.27Å; V341-V350 HydrophobicContact CG1-CB 4.39Å; V341-V350 HydrophobicContact CG1-CG1 3.49Å; V341-V350 VanDerWaalsContact CG1-CG1 3.49Å; V341-V350 HydrophobicContact CG1-CG2 4.02Å
342S80.4Confident86.7Confident8 Ų864 Ų646%0.05632%0.318CS..  trans-151.6140.1-179.9-172.10000111.8L338 L344 A348L338-S342 PolarHBondContact O-N 2.87Å; L338-S342 VanDerWaalsContact O-N 3.11Å; S342-L344 VanDerWaalsContact C-N 3.35Å; S342-L344 PolarHBondContact O-N 2.85Å; S342-A348 WeakPolarHBondContact OG-CB 3.28Å
343D80.7Confident86.8Confident108 Ų10865.2 Ų65.258%0.57833%0.325SS*.  trans-72.492.8161179.1-2.4000108.3S345 R346D343-S345 VanDerWaalsContact CG-OG 3.22Å; D343-S345 PolarHBondContact O-N 2.86Å; D343-S345 WeakPolarHBondContact OD1-CB 3.31Å; D343-S345 PolarHBondContact OD1-N 2.86Å; D343-S345 PolarHBondContact OD1-OG 3.46Å; D343-S345 PolarHBondContact OD2-OG 2.88Å; D343-R346 PolarHBondContact O-N 3.47Å; D343-R346 VanDerWaalsContact O-N 3.12Å
344L85.3Confident86.9Confident3 Ų365.1 Ų65.12%0.01632%0.324CS..THydrogen-bonded Turntrans-60.1-11.4-174-60.1179.6000114.2L239 Y241 L248 L309 L338 F339 S342 R346L239-L344 HydrophobicContact CB-CD2 3.83Å; L239-L344 HydrophobicContact CD1-CD2 4.4Å; Y241-L344 PolarHBondContact N-O 2.87Å; L248-L344 HydrophobicContact CD1-CD2 4.26Å; L309-L344 HydrophobicContact CD1-CD1 3.89Å; L338-L344 HydrophobicContact CB-CD1 4.28Å; F339-L344 HydrophobicContact CD1-CD1 3.97Å; F339-L344 HydrophobicContact CD1-CG 4.44Å; F339-L344 HydrophobicContact CE1-CD1 3.75Å; F339-L344 HydrophobicContact CZ-CD1 4.3Å; S342-L344 VanDerWaalsContact C-N 3.35Å; S342-L344 PolarHBondContact O-N 2.85Å; L344-R346 PolarHBondContact O-N 2.79Å
345S83.3Confident86.8Confident59 Ų5965.7 Ų65.741%0.41333%0.325SS..THydrogen-bonded Turntrans-67.3-18.7174.771.90000113.5D343D343-S345 VanDerWaalsContact CG-OG 3.22Å; D343-S345 PolarHBondContact O-N 2.86Å; D343-S345 WeakPolarHBondContact OD1-CB 3.31Å; D343-S345 PolarHBondContact OD1-N 2.86Å; D343-S345 PolarHBondContact OD1-OG 3.46Å; D343-S345 PolarHBondContact OD2-OG 2.88Å
346R84.1Confident86.4Confident188 Ų18866.4 Ų66.471%0.70933%0.33SS*.SBendtrans-134.4153179.6-60.6-177.767.7177.80.2110D343 L344 A348D343-R346 PolarHBondContact O-N 3.47Å; D343-R346 VanDerWaalsContact O-N 3.12Å; L344-R346 PolarHBondContact O-N 2.79Å; R346-A348 PolarHBondContact O-N 3.21Å; R346-A348 VanDerWaalsContact O-N 3.1Å
347E85.3Confident85.5Confident107 Ų10763.5 Ų63.550%0.532%0.319SS..  trans-65112.6168.1-169.8-178.7-163.900109.2T238 Q240T238-E347 WeakPolarHBondContact CB-OE1 3.27Å; T238-E347 HydrophobicContact CG2-CG 3.75Å; T238-E347 PolarHBondContact OG1-OE1 2.93Å; Q240-E347 HydrophobicContact CB-CB 4.49Å
348A82.1Confident84.1Confident36 Ų3664.4 Ų64.430%0.29833%0.327SS..EExtended strand (participates in β ladder)trans-120.4135.6175.800000111.3T238 L239 S342 R346T238-A348 VanDerWaalsContact CA-O 3.28Å; T238-A348 WeakPolarHBondContact CA-O 3.13Å; T238-A348 WeakPolarHBondContact CB-O 3.06Å; L239-A348 PolarHBondContact N-O 2.99Å; L239-A348 PolarHBondContact O-N 3.06Å; S342-A348 WeakPolarHBondContact OG-CB 3.28Å; R346-A348 PolarHBondContact O-N 3.21Å; R346-A348 VanDerWaalsContact O-N 3.1Å
349T91.8Very high82.5Confident89 Ų8968.3 Ų68.355%0.54635%0.351SS..EExtended strand (participates in β ladder)trans-84.3118.3-178-520000110.7N236 T238 I253N236-T349 WeakPolarHBondContact OD1-CG2 3.15Å; T238-T349 HydrophobicContact CG2-CG2 4.44Å; I253-T349 HydrophobicContact CD1-CG2 4.22Å
350V93.2Very high80.7Confident13 Ų1372 Ų728%0.07937%0.369CS..EExtended strand (participates in β ladder)trans-111.5133-176.5-179.40000109.8N236 F237 V341 K352N236-V350 WeakPolarHBondContact CA-O 3.26Å; F237-V350 HydrophobicContact CD2-CB 4.19Å; F237-V350 HydrophobicContact CE1-CB 4.42Å; F237-V350 HydrophobicContact CE1-CG1 4.15Å; F237-V350 HydrophobicContact CE2-CB 3.69Å; F237-V350 HydrophobicContact CE2-CG1 3.83Å; F237-V350 HydrophobicContact CE2-CG2 4.21Å; F237-V350 HydrophobicContact CZ-CB 3.81Å; F237-V350 HydrophobicContact CZ-CG1 3.47Å; F237-V350 VanDerWaalsContact CZ-CG1 3.47Å; F237-V350 PolarHBondContact N-O 2.85Å; F237-V350 VanDerWaalsContact N-O 3.13Å; F237-V350 PolarHBondContact O-N 3.25Å; V341-V350 HydrophobicContact CG1-CB 4.39Å; V341-V350 HydrophobicContact CG1-CG1 3.49Å; V341-V350 VanDerWaalsContact CG1-CG1 3.49Å; V341-V350 HydrophobicContact CG1-CG2 4.02Å; V350-K352 HydrophobicContact CG1-CG 4.14Å
351W94.6Very high79.3Confident111 Ų11166.6 Ų66.642%0.4235%0.349SS..EExtended strand (participates in β ladder)trans-106.9133.6166.5-72.891.7000110K234 L235 N236 K254 L256K234-W351 HydrophobicContact CB-CE3 4.07Å; K234-W351 HydrophobicContact CB-CZ3 4.24Å; L235-W351 WeakPolarHBondContact O-CA 3.4Å; N236-W351 HydrophobicContact CB-CD2 3.86Å; N236-W351 HydrophobicContact CB-CE3 3.72Å; N236-W351 HydrophobicContact CB-CH2 3.82Å; N236-W351 HydrophobicContact CB-CZ2 3.95Å; N236-W351 HydrophobicContact CB-CZ3 3.7Å; N236-W351 WeakPolarHBondContact ND2-CZ2 3.33Å; N236-W351 PolarHBondContact ND2-NE1 2.7Å; K254-W351 HydrophobicContact CG-CH2 4.39Å; L256-W351 HydrophobicContact CD1-CH2 3.45Å; L256-W351 VanDerWaalsContact CD1-CH2 3.45Å; L256-W351 HydrophobicContact CD1-CZ3 3.73Å; L256-W351 HydrophobicContact CG-CH2 3.92Å; L256-W351 HydrophobicContact CG-CZ3 3.98Å
352K94.7Very high78.7Confident80 Ų8067 Ų6735%0.34835%0.352SS..EExtended strand (participates in β ladder)trans-133.8141.5169.8-72.5-68.3-176.1175.60110.4K234 L235 F237 V333 L335 V350K234-K352 CarbonylContact C-O 3.42Å; K234-K352 WeakPolarHBondContact CA-O 3.35Å; L235-K352 PolarHBondContact N-O 3.06Å; L235-K352 PolarHBondContact O-N 2.67Å; F237-K352 HydrophobicContact CE1-CB 4.31Å; F237-K352 HydrophobicContact CE1-CG 4.16Å; F237-K352 HydrophobicContact CZ-CG 4.15Å; V333-K352 HydrophobicContact CG1-CB 3.59Å; V333-K352 HydrophobicContact CG1-CG 3.93Å; V333-K352 HydrophobicContact CG2-CB 4.34Å; L335-K352 HydrophobicContact CD2-CD 4.39Å; L335-K352 HydrophobicContact CD2-CG 4.02Å; V350-K352 HydrophobicContact CG1-CG 4.14Å
353D94.6Very high78.3Confident66 Ų6671 Ų7135%0.35337%0.372SS..EExtended strand (participates in β ladder)trans-68.1136.7169.6-59.2-52.9000109.1T231 K234 H355T231-D353 HydrophobicContact CG2-CB 4.02Å; K234-D353 WeakPolarHBondContact CD-OD1 3.21Å; K234-D353 WeakPolarHBondContact CE-OD1 3.26Å; K234-D353 WeakPolarHBondContact CG-OD1 3.1Å; K234-D353 IonicContact NZ-OD1 3.71Å; K234-D353 PolarHBondContact NZ-OD1 3.07Å; D353-H355 PolarHBondContact O-N 2.82Å
354I94.3Very high78.6Confident0 Ų066 Ų660%035%0.345CS..EExtended strand (participates in β ladder)trans-81.9115.1174.7-62.5163.4000106.1T231 C232 G233 L235 L258 V318 V333 C356T231-I354 CarbonylContact C-O 3.57Å; T231-I354 WeakPolarHBondContact CA-O 3.49Å; C232-I354 HydrophobicContact CB-CG2 4.19Å; C232-I354 PolarHBondContact N-O 3.46Å; G233-I354 PolarHBondContact O-N 2.61Å; L235-I354 HydrophobicContact CB-CD1 4.18Å; L235-I354 HydrophobicContact CB-CG1 3.97Å; L258-I354 HydrophobicContact CD2-CD1 3.39Å; V318-I354 HydrophobicContact CG2-CD1 4.06Å; V318-I354 HydrophobicContact CG2-CG1 4.37Å; V318-I354 HydrophobicContact CG2-CG2 4.4Å; V333-I354 HydrophobicContact CG2-CB 4.44Å; V333-I354 HydrophobicContact CG2-CG1 4Å; I354-C356 PolarHBondContact O-N 3.21Å
355H90.3Very high78.7Confident89 Ų8965.9 Ų65.941%0.41235%0.345SS..EExtended strand (participates in β ladder)trans-70.5126170.9-63-67.8000107.5V229 G331 E332 D353 A357V229-H355 HydrophobicContact CG1-CB 4.1Å; V229-H355 WeakPolarHBondContact CG1-ND1 3.4Å; G331-H355 CarbonylContact C-O 3.59Å; G331-H355 WeakPolarHBondContact CA-O 3.16Å; E332-H355 PolarHBondContact N-O 3.5Å; E332-H355 PolarHBondContact O-N 2.94Å; D353-H355 PolarHBondContact O-N 2.82Å; H355-A357 PolarHBondContact O-N 3.39Å
356C82.5Confident79.1Confident18 Ų1865.4 Ų65.412%0.12234%0.336CS..EExtended strand (participates in β ladder)trans-55.1142.6174.5-69.80000109.1K230 C232 I354 T358K230-C356 VanDerWaalsContact C-SG 3.57Å; K230-C356 HydrophobicContact CB-CB 4.36Å; K230-C356 WeakPolarHBondContact O-CB 3.4Å; K230-C356 PolarHBondContact O-N 2.95Å; K230-C356 PolarHBondContact O-SG 2.86Å; C232-C356 VanDerWaalsContact CA-SG 3.59Å; C232-C356 HydrophobicContact CB-CB 4Å; C232-C356 WeakPolarHBondContact CB-SG 3.24Å; C232-C356 PolarHBondContact N-SG 3.04Å; C232-C356 VanDerWaalsContact N-SG 3.41Å; C232-C356 WeakPolarHBondContact SG-CA 3.41Å; C232-C356 WeakPolarHBondContact SG-CB 3.47Å; C232-C356 CovalentContact SG-SG 2.03Å; C232-C356 PolarHBondContact SG-SG 3.34Å; I354-C356 PolarHBondContact O-N 3.21Å; C356-T358 PolarHBondContact O-N 3.39Å
357A65.3Low79.7Confident30 Ų3056.4 Ų56.425%0.24830%0.302CS..  trans-68.489.3171.500000108.5M329 I330 H355M329-A357 HydrophobicContact CB-CB 4.05Å; M329-A357 HydrophobicContact CE-CB 4.06Å; M329-A357 HydrophobicContact CG-CB 3.71Å; M329-A357 HydrophobicContact SD-CB 3.87Å; I330-A357 PolarHBondContact O-N 3.08Å; H355-A357 PolarHBondContact O-N 3.39Å
358T55.8Low80.2Confident82 Ų8252.7 Ų52.750%0.50329%0.285SS..  trans-56139.7161.5-31.90000106.7C356 E360 S361C356-T358 PolarHBondContact O-N 3.39Å; T358-E360 HydrophobicContact CG2-CG 4.43Å; T358-E360 PolarHBondContact O-N 3.25Å; T358-S361 PolarHBondContact O-N 3.32Å; T358-S361 PolarHBondContact O-OG 3.46Å
359T51.5Low81Confident82 Ų8251 Ų5150%0.50327%0.271SS..THydrogen-bonded Turntrans-60-5-169.9-34.70000114.5E500T359-E500 HydrophobicContact CG2-CB 3.65Å; T359-E500 HydrophobicContact CG2-CG 3.81Å; T359-E500 WeakPolarHBondContact CG2-OE2 3.36Å
360E47.4Very low81.3Confident151 Ų15147.1 Ų47.171%0.70625%0.248SC*.THydrogen-bonded Turntrans-80.2-18.1174.9-50.6-174.3157.500113.9T358 V362T358-E360 HydrophobicContact CG2-CG 4.43Å; T358-E360 PolarHBondContact O-N 3.25Å; E360-V362 VanDerWaalsContact C-N 3.3Å; E360-V362 PolarHBondContact O-N 2.97Å
361S52.4Low81.5Confident45 Ų4546.5 Ų46.532%0.31524%0.244SC..SBendtrans-80.4-6.6-174.171.90000114.5T358T358-S361 PolarHBondContact O-N 3.32Å; T358-S361 PolarHBondContact O-OG 3.46Å
362V63.1Low81.6Confident43 Ų4342 Ų4226%0.26123%0.229SC..SBendtrans-96.6107173.7-1710000108.8E360 L364 K391E360-V362 VanDerWaalsContact C-N 3.3Å; E360-V362 PolarHBondContact O-N 2.97Å; V362-L364 HydrophobicContact CB-CD2 4.23Å; V362-L364 HydrophobicContact CG1-CD2 3.59Å; V362-L364 HydrophobicContact CG1-CG 4.43Å; V362-L364 WeakPolarHBondContact O-CG 3.29Å; V362-L364 PolarHBondContact O-N 2.98Å; V362-K391 HydrophobicContact CG1-CD 4.22Å
363D72.6Confident81.7Confident91 Ų9138.4 Ų38.449%0.48721%0.213SC..  trans-65.296.9170.3-175.97.8000109.5G365D363-G365 WeakPolarHBondContact OD1-CA 3.38Å; D363-G365 PolarHBondContact OD1-N 3.46Å
364L86.8Confident81.7Confident3 Ų338 Ų382%0.01621%0.211CC..  trans-82.2-6.1174.2-55.9179.5000112.1V362 L390 K391 I464 L498 E500V362-L364 HydrophobicContact CB-CD2 4.23Å; V362-L364 HydrophobicContact CG1-CD2 3.59Å; V362-L364 HydrophobicContact CG1-CG 4.43Å; V362-L364 WeakPolarHBondContact O-CG 3.29Å; V362-L364 PolarHBondContact O-N 2.98Å; L364-L390 WeakPolarHBondContact O-CA 3.23Å; L364-K391 HydrophobicContact CD2-CB 4.45Å; L364-K391 HydrophobicContact CD2-CD 3.53Å; L364-K391 PolarHBondContact O-N 2.94Å; L364-I464 WeakPolarHBondContact CD1-O 3.41Å; L364-L498 HydrophobicContact CB-CB 3.83Å; L364-E500 HydrophobicContact CD1-CB 4.43Å; L364-E500 HydrophobicContact CD1-CG 3.68Å; L364-E500 HydrophobicContact CD2-CG 4.42Å
365G88.1Confident81.7Confident1 Ų139.7 Ų39.71%0.0122%0.222CC..  trans92.2-178.2-170.400000113.9D363 R388 N389 L498D363-G365 WeakPolarHBondContact OD1-CA 3.38Å; D363-G365 PolarHBondContact OD1-N 3.46Å; G365-R388 VanDerWaalsContact CA-O 3.27Å; G365-R388 WeakPolarHBondContact CA-O 3.43Å; G365-N389 WeakPolarHBondContact CA-O 3.21Å; G365-N389 PolarHBondContact N-O 3.11Å; G365-L498 VanDerWaalsContact O-CB 3.29Å; G365-L498 WeakPolarHBondContact O-CB 3.44Å; G365-L498 WeakPolarHBondContact O-CG 3.48Å; G365-L498 PolarHBondContact O-N 3Å
366E90.2Very high81.8Confident48 Ų4841 Ų4122%0.22424%0.237CC..EExtended strand (participates in β ladder)trans-127.4148.7-178.9-65.8165.791.500110.8C387 R388 W495 H496E366-C387 CarbonylContact O-C 3.51Å; E366-C387 WeakPolarHBondContact O-CA 3.4Å; E366-C387 WeakPolarHBondContact O-CB 3.49Å; E366-R388 HydrophobicContact CB-CG 4.21Å; E366-R388 PolarHBondContact N-O 2.77Å; E366-R388 PolarHBondContact O-N 2.88Å; E366-R388 IonicContact OE1-CZ 3.51Å; E366-R388 IonicContact OE1-NE 2.81Å; E366-R388 IonicContact OE1-NH2 3.78Å; E366-R388 PolarHBondContact OE1-NH2 3.43Å; E366-R388 IonicContact OE2-CZ 2.73Å; E366-R388 IonicContact OE2-NE 3.96Å; E366-R388 PolarHBondContact OE2-NE 2.8Å; E366-R388 IonicContact OE2-NH2 3.82Å; E366-R388 PolarHBondContact OE2-NH2 3.45Å; E366-W495 HydrophobicContact CB-CE3 3.8Å; E366-W495 HydrophobicContact CB-CZ3 4.15Å; E366-H496 WeakPolarHBondContact CA-O 3.43Å
367I96.3Very high82.4Confident0 Ų042.9 Ų42.90%025%0.253CS..EExtended strand (participates in β ladder)trans-115135174.6-175.1169.9000110.8F369 V384 V403 I450 V452 H496 L498I367-F369 HydrophobicContact CG1-CD1 4.26Å; I367-F369 HydrophobicContact CG2-CD1 4.2Å; I367-F369 HydrophobicContact CG2-CE1 4.25Å; I367-V384 HydrophobicContact CD1-CG1 4.29Å; I367-V403 HydrophobicContact CD1-CG1 3.85Å; I367-V403 HydrophobicContact CD1-CG2 3.87Å; I367-I450 HydrophobicContact CD1-CG2 3.92Å; I367-V452 HydrophobicContact CD1-CG2 4.03Å; I367-H496 HydrophobicContact CG2-CB 4.1Å; I367-H496 PolarHBondContact N-O 3.35Å; I367-H496 PolarHBondContact O-N 3.17Å; I367-L498 HydrophobicContact CB-CD2 4.21Å; I367-L498 HydrophobicContact CG2-CD2 3.68Å; I367-L498 HydrophobicContact CG2-CG 4.45Å
368M96.8Very high83.8Confident29 Ų2942 Ų4214%0.14325%0.248CC..EExtended strand (participates in β ladder)trans-103.8125.9168.2-176.3-167.8-72.300109.4I385 K386 T493 H494 W495M368-I385 HydrophobicContact CB-CB 4.42Å; M368-I385 HydrophobicContact CG-CB 4.16Å; M368-I385 HydrophobicContact CG-CD1 4.06Å; M368-I385 PolarHBondContact O-N 2.8Å; M368-I385 HydrophobicContact SD-CB 4.04Å; M368-I385 HydrophobicContact SD-CD1 3.86Å; M368-I385 HydrophobicContact SD-CG2 3.8Å; M368-K386 HydrophobicContact CB-CG 4.14Å; M368-K386 PolarHBondContact N-O 2.79Å; M368-K386 PolarHBondContact O-N 2.89Å; M368-K386 HydrophobicContact SD-CG 4.48Å; M368-T493 HydrophobicContact CG-CG2 3.77Å; M368-T493 HydrophobicContact SD-CG2 3.93Å; M368-H494 WeakPolarHBondContact CA-O 3.5Å; M368-W495 HydrophobicContact CB-CD2 3.95Å; M368-W495 HydrophobicContact CB-CE3 3.69Å; M368-W495 HydrophobicContact CB-CH2 4.15Å; M368-W495 HydrophobicContact CB-CZ2 4.41Å; M368-W495 HydrophobicContact CB-CZ3 3.78Å; M368-W495 HydrophobicContact CE-CD2 4.03Å; M368-W495 HydrophobicContact CE-CG 4.48Å; M368-W495 HydrophobicContact CE-CH2 4.26Å; M368-W495 HydrophobicContact CE-CZ2 3.5Å; M368-W495 VanDerWaalsContact CE-CZ2 3.5Å
369F98.1Very high85.6Confident0 Ų043.4 Ų43.40%024%0.244CC..EExtended strand (participates in β ladder)trans-141.9157.2170.660.4-85.8000110.8I367 L371 L382 T383 I450 T469 H480 H494 H496I367-F369 HydrophobicContact CG1-CD1 4.26Å; I367-F369 HydrophobicContact CG2-CD1 4.2Å; I367-F369 HydrophobicContact CG2-CE1 4.25Å; F369-L371 HydrophobicContact CD2-CD2 4.1Å; F369-L371 HydrophobicContact CD2-CG 4.07Å; F369-L371 HydrophobicContact CE2-CD1 4.14Å; F369-L371 HydrophobicContact CE2-CD2 4.06Å; F369-L371 HydrophobicContact CE2-CG 3.88Å; F369-L382 HydrophobicContact CB-CD2 4.03Å; F369-L382 HydrophobicContact CB-CG 4.38Å; F369-L382 HydrophobicContact CD2-CD1 3.91Å; F369-L382 HydrophobicContact CD2-CD2 4.44Å; F369-L382 HydrophobicContact CD2-CG 3.94Å; F369-L382 HydrophobicContact CE2-CD1 4.28Å; F369-L382 HydrophobicContact CG-CD2 4.45Å; F369-L382 HydrophobicContact CG-CG 4.44Å; F369-T383 CarbonylContact C-O 3.58Å; F369-T383 WeakPolarHBondContact CA-O 3.48Å; F369-T383 VanDerWaalsContact CB-O 3.25Å; F369-T383 WeakPolarHBondContact CB-O 3.2Å; F369-I450 HydrophobicContact CD1-CD1 4.24Å; F369-I450 HydrophobicContact CD2-CD1 4.25Å; F369-I450 HydrophobicContact CE1-CD1 3.72Å; F369-I450 HydrophobicContact CE2-CD1 3.73Å; F369-I450 HydrophobicContact CG-CD1 4.48Å; F369-I450 HydrophobicContact CZ-CD1 3.46Å; F369-I450 VanDerWaalsContact CZ-CD1 3.46Å; F369-T469 HydrophobicContact CE2-CG2 3.9Å; F369-T469 HydrophobicContact CZ-CG2 3.58Å; F369-H480 AromaticContact CD2-CE1 3.7Å; F369-H480 AromaticContact CE2-CE1 3.4Å; F369-H480 WeakPolarHBondContact CE2-CE1 3.41Å; F369-H480 AromaticContact CE2-ND1 3.44Å; F369-H480 WeakPolarHBondContact CE2-ND1 3.39Å; F369-H480 AromaticContact CZ-ND1 3.75Å; F369-H480 PolarHBondContact O-CE1 3.12Å; F369-H494 PolarHBondContact N-O 3.04Å; F369-H494 PolarHBondContact O-N 3.16Å; F369-H496 HydrophobicContact CE1-CB 3.94Å; F369-H496 AromaticContact CE1-CD2 3.37Å; F369-H496 WeakPolarHBondContact CE1-CD2 3.22Å; F369-H496 AromaticContact CE1-CG 3.55Å; F369-H496 AromaticContact CZ-CD2 3.51Å; F369-H496 AromaticContact CZ-CG 3.8Å; F369-H496 AromaticContact CZ-NE2 3.72Å
370S98.1Very high87.7Confident8 Ų839.5 Ų39.56%0.05622%0.22CC..EExtended strand (participates in β ladder)trans-108.4136.8173.376.60000111.8L382 T383 I492 T493S370-L382 CarbonylContact O-C 3.24Å; S370-L382 VanDerWaalsContact O-CA 3.31Å; S370-L382 WeakPolarHBondContact O-CA 3.33Å; S370-T383 PolarHBondContact N-O 3.39Å; S370-T383 PolarHBondContact O-N 3.16Å; S370-T383 WeakPolarHBondContact OG-CB 3.4Å; S370-T383 PolarHBondContact OG-OG1 2.64Å; S370-I492 CarbonylContact C-O 3.57Å; S370-I492 WeakPolarHBondContact CA-O 3.45Å; S370-I492 VanDerWaalsContact CB-O 3.22Å; S370-I492 WeakPolarHBondContact CB-O 3.47Å; S370-T493 WeakPolarHBondContact CB-OG1 3.38Å
371L97.4Very high90.1Very high0 Ų033.7 Ų33.70%019%0.194CC..EExtended strand (participates in β ladder)trans-105.7138.6170.5-65.6179000111.2F369 L382 L448 T469 W481 M484 P491 I492F369-L371 HydrophobicContact CD2-CD2 4.1Å; F369-L371 HydrophobicContact CD2-CG 4.07Å; F369-L371 HydrophobicContact CE2-CD1 4.14Å; F369-L371 HydrophobicContact CE2-CD2 4.06Å; F369-L371 HydrophobicContact CE2-CG 3.88Å; L371-L382 HydrophobicContact CD2-CB 3.93Å; L371-L382 HydrophobicContact CD2-CD1 3.81Å; L371-L382 HydrophobicContact CD2-CG 3.86Å; L371-L448 HydrophobicContact CD2-CD1 3.94Å; L371-T469 HydrophobicContact CD1-CG2 4.36Å; L371-W481 HydrophobicContact CD1-CE3 4.16Å; L371-M484 HydrophobicContact CB-CB 4.11Å; L371-M484 HydrophobicContact CB-CG 3.85Å; L371-M484 HydrophobicContact CB-SD 3.61Å; L371-M484 HydrophobicContact CD1-SD 4.05Å; L371-M484 HydrophobicContact CG-SD 4.34Å; L371-P491 WeakPolarHBondContact O-CA 3.28Å; L371-I492 PolarHBondContact N-O 3.24Å; L371-I492 PolarHBondContact O-N 3.4Å
372C97Very high92.3Very high16 Ų1631.5 Ų31.511%0.10818%0.179CC..EExtended strand (participates in β ladder)trans-145.7121.9174.2-173.10000110.6T381 R489 P491C372-T381 PolarHBondContact N-O 2.94Å; C372-T381 PolarHBondContact O-N 3.36Å; C372-R489 VanDerWaalsContact SG-C 3.55Å; C372-P491 HydrophobicContact CB-CB 4.27Å
373Y96.6Very high93.9Very high4 Ų431.1 Ų31.12%0.01618%0.177CC..EExtended strand (participates in β ladder)trans-108.2134.4177.1-169-124000112.6P375 R379 M380 I438 P440 V443 L485 R489Y373-P375 HydrophobicContact CD1-CB 4.44Å; Y373-P375 HydrophobicContact CD1-CG 3.71Å; Y373-P375 HydrophobicContact CE1-CB 3.87Å; Y373-P375 HydrophobicContact CE1-CG 3.63Å; Y373-R379 VanDerWaalsContact CD2-O 3.3Å; Y373-R379 WeakPolarHBondContact CD2-O 3.11Å; Y373-M380 HydrophobicContact CD2-CB 4.13Å; Y373-M380 HydrophobicContact CD2-CE 3.47Å; Y373-M380 VanDerWaalsContact CD2-CE 3.47Å; Y373-M380 HydrophobicContact CD2-SD 3.97Å; Y373-M380 HydrophobicContact CE2-CE 4.29Å; Y373-M380 HydrophobicContact CG-CE 3.81Å; Y373-M380 HydrophobicContact CG-SD 4.35Å; Y373-I438 HydrophobicContact CE2-CB 4.43Å; Y373-I438 WeakPolarHBondContact CE2-O 3.22Å; Y373-I438 PolarHBondContact OH-O 3.47Å; Y373-P440 VanDerWaalsContact OH-CA 3.28Å; Y373-P440 WeakPolarHBondContact OH-CA 3.17Å; Y373-V443 HydrophobicContact CD1-CG2 4.3Å; Y373-V443 HydrophobicContact CD2-CG2 4.39Å; Y373-V443 HydrophobicContact CE1-CG2 3.87Å; Y373-V443 HydrophobicContact CE2-CG2 3.98Å; Y373-L485 HydrophobicContact CD1-CD2 4.19Å; Y373-R489 PolarHBondContact O-N 2.83Å
374L95.9Very high95.2Very high57 Ų5726.8 Ų26.830%0.29815%0.154SC..EExtended strand (participates in β ladder)trans-117.592.5173.4-80.672000109T376 A377 G378 R379 R489L374-T376 VanDerWaalsContact C-N 3.3Å; L374-T376 PolarHBondContact O-N 2.89Å; L374-A377 HydrophobicContact CB-CB 4.38Å; L374-A377 PolarHBondContact O-N 3.47Å; L374-A377 VanDerWaalsContact O-N 3.14Å; L374-G378 PolarHBondContact O-N 3.46Å; L374-G378 VanDerWaalsContact O-N 3.15Å; L374-R379 PolarHBondContact N-O 3.22Å; L374-R379 PolarHBondContact O-N 3.3Å; L374-R379 VanDerWaalsContact O-N 3.15Å; L374-R489 HydrophobicContact CG-CG 4.31Å
375P93.9Very high95.7Very high36 Ų3628.3 Ų28.323%0.23416%0.161CC..G310 helixtrans-57.3-41.6-178.9-22.328.5000113Y373 A377 G378 H488Y373-P375 HydrophobicContact CD1-CB 4.44Å; Y373-P375 HydrophobicContact CD1-CG 3.71Å; Y373-P375 HydrophobicContact CE1-CB 3.87Å; Y373-P375 HydrophobicContact CE1-CG 3.63Å; P375-A377 PolarHBondContact O-N 3.38Å; P375-A377 VanDerWaalsContact O-N 3.09Å; P375-G378 PolarHBondContact O-N 3.19Å; P375-H488 WeakPolarHBondContact CG-CD2 3.45Å
376T93.1Very high96Very high118 Ų11832 Ų3272%0.72418%0.177SC*.G310 helixtrans-58.2-25.6-179.2-40.80000113.5L374 R489L374-T376 VanDerWaalsContact C-N 3.3Å; L374-T376 PolarHBondContact O-N 2.89Å; T376-R489 PolarHBondContact OG1-NH2 3.09Å
377A93.7Very high96.3Very high56 Ų5629.9 Ų29.946%0.46317%0.168SC..G310 helixtrans-110.33.1178.900000112.7L374 P375 R379L374-A377 HydrophobicContact CB-CB 4.38Å; L374-A377 PolarHBondContact O-N 3.47Å; L374-A377 VanDerWaalsContact O-N 3.14Å; P375-A377 PolarHBondContact O-N 3.38Å; P375-A377 VanDerWaalsContact O-N 3.09Å; A377-R379 HydrophobicContact CB-CB 4.15Å; A377-R379 PolarHBondContact O-N 2.77Å
378G94.6Very high96Very high13 Ų1334.2 Ų34.213%0.13418%0.184CC..THydrogen-bonded Turntrans49.343.7-170.400000112.3L374 P375 D437 I438L374-G378 PolarHBondContact O-N 3.46Å; L374-G378 VanDerWaalsContact O-N 3.15Å; P375-G378 PolarHBondContact O-N 3.19Å; G378-D437 CarbonylContact O-C 3.49Å; G378-D437 VanDerWaalsContact O-CA 3.32Å; G378-D437 WeakPolarHBondContact O-CA 3.5Å; G378-I438 CarbonylContact C-O 3.57Å; G378-I438 VanDerWaalsContact CA-O 3.23Å; G378-I438 WeakPolarHBondContact CA-O 3.48Å; G378-I438 CarbonylContact O-C 3.5Å; G378-I438 PolarHBondContact O-N 2.85Å; G378-I438 VanDerWaalsContact O-O 3.11Å
379R95Very high95.5Very high111 Ų11137 Ų3742%0.41920%0.199SC..EExtended strand (participates in β ladder)trans-127.2125.2-169.2-173.3176.9-68.9164.63.2112.7Y373 L374 A377 I435Y373-R379 VanDerWaalsContact CD2-O 3.3Å; Y373-R379 WeakPolarHBondContact CD2-O 3.11Å; L374-R379 PolarHBondContact N-O 3.22Å; L374-R379 PolarHBondContact O-N 3.3Å; L374-R379 VanDerWaalsContact O-N 3.15Å; A377-R379 HydrophobicContact CB-CB 4.15Å; A377-R379 PolarHBondContact O-N 2.77Å; R379-I435 HydrophobicContact CG-CG2 3.61Å
380M95.5Very high95Very high0 Ų037.1 Ų37.10%020%0.2CC..EExtended strand (participates in β ladder)trans-104.7132.4171.4-172.963.477.900110.3Y373 I435 F436 I438 V443 W481 M484Y373-M380 HydrophobicContact CD2-CB 4.13Å; Y373-M380 HydrophobicContact CD2-CE 3.47Å; Y373-M380 VanDerWaalsContact CD2-CE 3.47Å; Y373-M380 HydrophobicContact CD2-SD 3.97Å; Y373-M380 HydrophobicContact CE2-CE 4.29Å; Y373-M380 HydrophobicContact CG-CE 3.81Å; Y373-M380 HydrophobicContact CG-SD 4.35Å; M380-I435 WeakPolarHBondContact O-CA 3.07Å; M380-F436 HydrophobicContact CB-CB 4.43Å; M380-F436 PolarHBondContact N-O 2.79Å; M380-F436 PolarHBondContact O-N 2.85Å; M380-I438 HydrophobicContact CB-CD1 3.62Å; M380-I438 HydrophobicContact CB-CG1 4.15Å; M380-I438 HydrophobicContact CG-CD1 4.08Å; M380-V443 HydrophobicContact CE-CG2 4.35Å; M380-W481 HydrophobicContact CE-CH2 3.78Å; M380-W481 HydrophobicContact CE-CZ2 4.25Å; M380-W481 HydrophobicContact CE-CZ3 4.13Å; M380-M484 HydrophobicContact CE-CE 3.48Å; M380-M484 VanDerWaalsContact CE-CE 3.48Å; M380-M484 HydrophobicContact CE-SD 3.41Å; M380-M484 WeakPolarHBondContact CE-SD 3.21Å; M380-M484 HydrophobicContact SD-CE 4.25Å; M380-M484 HydrophobicContact SD-SD 3.32Å
381T97.2Very high94.4Very high28 Ų2839.5 Ų39.517%0.17221%0.21CC..EExtended strand (participates in β ladder)trans-120.3120173.2-54.80000109.4C372 A433 I435C372-T381 PolarHBondContact N-O 2.94Å; C372-T381 PolarHBondContact O-N 3.36Å; T381-A433 HydrophobicContact CG2-CB 4.15Å; T381-I435 HydrophobicContact CG2-CG1 4.25Å
382L98Very high93.8Very high0 Ų041.6 Ų41.60%023%0.227CC..EExtended strand (participates in β ladder)trans-105.7115168.4-176.7159.7000108.6F369 S370 L371 V384 V405 I434 L448 I450F369-L382 HydrophobicContact CB-CD2 4.03Å; F369-L382 HydrophobicContact CB-CG 4.38Å; F369-L382 HydrophobicContact CD2-CD1 3.91Å; F369-L382 HydrophobicContact CD2-CD2 4.44Å; F369-L382 HydrophobicContact CD2-CG 3.94Å; F369-L382 HydrophobicContact CE2-CD1 4.28Å; F369-L382 HydrophobicContact CG-CD2 4.45Å; F369-L382 HydrophobicContact CG-CG 4.44Å; S370-L382 CarbonylContact O-C 3.24Å; S370-L382 VanDerWaalsContact O-CA 3.31Å; S370-L382 WeakPolarHBondContact O-CA 3.33Å; L371-L382 HydrophobicContact CD2-CB 3.93Å; L371-L382 HydrophobicContact CD2-CD1 3.81Å; L371-L382 HydrophobicContact CD2-CG 3.86Å; L382-V384 HydrophobicContact CD2-CG2 3.49Å; L382-V384 VanDerWaalsContact CD2-CG2 3.49Å; L382-V405 HydrophobicContact CD1-CG1 4.08Å; L382-V405 HydrophobicContact CD1-CG2 4.39Å; L382-V405 HydrophobicContact CD2-CG2 4.17Å; L382-I434 PolarHBondContact N-O 3.18Å; L382-I434 PolarHBondContact O-N 3.25Å; L382-L448 HydrophobicContact CD1-CD1 3.85Å; L382-I450 HydrophobicContact CD1-CD1 3.68Å; L382-I450 HydrophobicContact CD1-CG1 3.99Å
383T98.3Very high93Very high35 Ų3542 Ų4222%0.21523%0.227CC..EExtended strand (participates in β ladder)trans-96.5113.7173.5-44.70000109.5F369 S370 I385 E432F369-T383 CarbonylContact C-O 3.58Å; F369-T383 WeakPolarHBondContact CA-O 3.48Å; F369-T383 VanDerWaalsContact CB-O 3.25Å; F369-T383 WeakPolarHBondContact CB-O 3.2Å; S370-T383 PolarHBondContact N-O 3.39Å; S370-T383 PolarHBondContact O-N 3.16Å; S370-T383 WeakPolarHBondContact OG-CB 3.4Å; S370-T383 PolarHBondContact OG-OG1 2.64Å; T383-I385 HydrophobicContact CG2-CG1 4.46Å; T383-I385 PolarHBondContact O-N 2.91Å; T383-E432 CarbonylContact C-O 3.57Å; T383-E432 WeakPolarHBondContact CA-O 3.4Å
384V98.3Very high92.1Very high0 Ų044 Ų440%024%0.238CC..EExtended strand (participates in β ladder)trans-76.6115.1171.3-177.80000107.4I367 L382 V403 T419 Y430 N431 E432 I434I367-V384 HydrophobicContact CD1-CG1 4.29Å; L382-V384 HydrophobicContact CD2-CG2 3.49Å; L382-V384 VanDerWaalsContact CD2-CG2 3.49Å; V384-V403 HydrophobicContact CG1-CB 4.15Å; V384-V403 HydrophobicContact CG1-CG1 4.44Å; V384-V403 HydrophobicContact CG1-CG2 3.78Å; V384-V403 HydrophobicContact CG2-CB 4.32Å; V384-V403 HydrophobicContact CG2-CG1 4.11Å; V384-T419 HydrophobicContact CB-CG2 3.93Å; V384-T419 HydrophobicContact CG1-CG2 4.19Å; V384-T419 HydrophobicContact CG2-CG2 3.81Å; V384-Y430 HydrophobicContact CG1-CD2 3.53Å; V384-Y430 HydrophobicContact CG1-CE2 4.17Å; V384-Y430 HydrophobicContact CG1-CG 3.91Å; V384-N431 CarbonylContact O-C 3.54Å; V384-N431 VanDerWaalsContact O-CA 3.24Å; V384-N431 WeakPolarHBondContact O-CA 3.4Å; V384-N431 PolarHBondContact O-N 2.73Å; V384-E432 PolarHBondContact N-O 2.89Å; V384-E432 PolarHBondContact O-N 2.81Å; V384-I434 HydrophobicContact CG2-CD1 4.22Å
385I97.7Very high90.9Very high34 Ų3450.1 Ų50.117%0.17427%0.269CS..EExtended strand (participates in β ladder)trans-92.1-64.4-174.5-59.8174.5000109.3M368 T383 Y430 N431 T493M368-I385 HydrophobicContact CB-CB 4.42Å; M368-I385 HydrophobicContact CG-CB 4.16Å; M368-I385 HydrophobicContact CG-CD1 4.06Å; M368-I385 PolarHBondContact O-N 2.8Å; M368-I385 HydrophobicContact SD-CB 4.04Å; M368-I385 HydrophobicContact SD-CD1 3.86Å; M368-I385 HydrophobicContact SD-CG2 3.8Å; T383-I385 HydrophobicContact CG2-CG1 4.46Å; T383-I385 PolarHBondContact O-N 2.91Å; I385-Y430 PolarHBondContact O-N 2.87Å; I385-N431 PolarHBondContact O-N 2.86Å; I385-N431 VanDerWaalsContact O-N 3.16Å; I385-T493 HydrophobicContact CD1-CG2 3.56Å
386K95.3Very high89.8Confident79 Ų7953.1 Ų53.134%0.34329%0.287SS..EExtended strand (participates in β ladder)trans-161.3162-177.761.5-175.3175.6-178.90111.8M368 P428 V429 W495M368-K386 HydrophobicContact CB-CG 4.14Å; M368-K386 PolarHBondContact N-O 2.79Å; M368-K386 PolarHBondContact O-N 2.89Å; M368-K386 HydrophobicContact SD-CG 4.48Å; K386-P428 CarbonylContact C-O 3.51Å; K386-P428 WeakPolarHBondContact CA-O 3.4Å; K386-P428 WeakPolarHBondContact CB-O 3.38Å; K386-V429 HydrophobicContact CB-CB 4.37Å; K386-V429 HydrophobicContact CB-CG1 4.47Å; K386-V429 HydrophobicContact CB-CG2 4Å; K386-W495 HydrophobicContact CD-CH2 4.29Å; K386-W495 HydrophobicContact CG-CH2 4.04Å
387C95.9Very high88.9Confident3 Ų349.9 Ų49.92%0.0228%0.278CS..EExtended strand (participates in β ladder)trans-114.3161.6162.3-49.90000110.4E366 L390 N427 P428E366-C387 CarbonylContact O-C 3.51Å; E366-C387 WeakPolarHBondContact O-CA 3.4Å; E366-C387 WeakPolarHBondContact O-CB 3.49Å; C387-L390 HydrophobicContact CB-CD1 3.87Å; C387-L390 HydrophobicContact CB-CD2 3.7Å; C387-L390 HydrophobicContact CB-CG 3.8Å; C387-N427 CarbonylContact O-C 3.51Å; C387-N427 WeakPolarHBondContact O-CA 3.48Å; C387-P428 HydrophobicContact CB-CG 3.84Å; C387-P428 PolarHBondContact N-O 2.86Å
388R89.1Confident88.4Confident91 Ų9147.8 Ų47.834%0.34326%0.259SS..EExtended strand (participates in β ladder)trans-135.9157.2168.867.9-178.7177.3-169.8-3.9111.2G365 E366 L390 N427 W495G365-R388 VanDerWaalsContact CA-O 3.27Å; G365-R388 WeakPolarHBondContact CA-O 3.43Å; E366-R388 HydrophobicContact CB-CG 4.21Å; E366-R388 PolarHBondContact N-O 2.77Å; E366-R388 PolarHBondContact O-N 2.88Å; E366-R388 IonicContact OE1-CZ 3.51Å; E366-R388 IonicContact OE1-NE 2.81Å; E366-R388 IonicContact OE1-NH2 3.78Å; E366-R388 PolarHBondContact OE1-NH2 3.43Å; E366-R388 IonicContact OE2-CZ 2.73Å; E366-R388 IonicContact OE2-NE 3.96Å; E366-R388 PolarHBondContact OE2-NE 2.8Å; E366-R388 IonicContact OE2-NH2 3.82Å; E366-R388 PolarHBondContact OE2-NH2 3.45Å; R388-L390 PolarHBondContact O-N 3.41Å; R388-L390 VanDerWaalsContact O-N 3.14Å; R388-N427 WeakPolarHBondContact CA-OD1 3.35Å; R388-N427 WeakPolarHBondContact CB-OD1 3.46Å; R388-W495 HydrophobicContact CB-CH2 4.09Å; R388-W495 HydrophobicContact CB-CZ3 4.37Å; R388-W495 HydrophobicContact CG-CH2 3.64Å; R388-W495 HydrophobicContact CG-CZ2 4.44Å; R388-W495 HydrophobicContact CG-CZ3 3.7Å
389N86.3Confident88.2Confident87 Ų8747.2 Ų47.247%0.46525%0.253SS..SBendtrans52.430.5176.4-65.312.8000114.8G365 K391 L426 N427G365-N389 WeakPolarHBondContact CA-O 3.21Å; G365-N389 PolarHBondContact N-O 3.11Å; N389-K391 PolarHBondContact O-N 2.03Å; N389-L426 PolarHBondContact N-O 3.42Å; N389-N427 PolarHBondContact N-OD1 3.4Å
390L88.6Confident88.1Confident4 Ų442.3 Ų42.32%0.02124%0.235CC..PPolyproline II helixtrans-57.9142.6179.9-64.5-177.6000111.2L364 C387 R388 A392 P401 L426 P428 V452 I464 L498L364-L390 WeakPolarHBondContact O-CA 3.23Å; C387-L390 HydrophobicContact CB-CD1 3.87Å; C387-L390 HydrophobicContact CB-CD2 3.7Å; C387-L390 HydrophobicContact CB-CG 3.8Å; R388-L390 PolarHBondContact O-N 3.41Å; R388-L390 VanDerWaalsContact O-N 3.14Å; L390-A392 PolarHBondContact O-N 2.79Å; L390-P401 HydrophobicContact CD1-CB 3.73Å; L390-P401 HydrophobicContact CD1-CG 3.98Å; L390-L426 HydrophobicContact CB-CB 4.34Å; L390-L426 WeakPolarHBondContact CB-O 3.47Å; L390-L426 WeakPolarHBondContact CG-O 3.09Å; L390-L426 PolarHBondContact N-O 3.44Å; L390-L426 WeakPolarHBondContact O-CD2 3.18Å; L390-P428 HydrophobicContact CD1-CG 3.73Å; L390-V452 HydrophobicContact CD1-CG1 3.95Å; L390-V452 HydrophobicContact CD2-CG1 4.05Å; L390-I464 HydrophobicContact CB-CG2 4.46Å; L390-I464 HydrophobicContact CD1-CD1 4.42Å; L390-I464 HydrophobicContact CD2-CG2 4.26Å; L390-L498 HydrophobicContact CD2-CD1 3.44Å; L390-L498 VanDerWaalsContact CD2-CD1 3.44Å
391K84.9Confident88.2Confident58 Ų5842.3 Ų42.325%0.25224%0.235SC..PPolyproline II helixtrans-59.7127.7171.8177.8170.3176.3177.40110.1V362 L364 N389 M393 S399 I464 E500V362-K391 HydrophobicContact CG1-CD 4.22Å; L364-K391 HydrophobicContact CD2-CB 4.45Å; L364-K391 HydrophobicContact CD2-CD 3.53Å; L364-K391 PolarHBondContact O-N 2.94Å; N389-K391 PolarHBondContact O-N 2.03Å; K391-M393 HydrophobicContact CD-SD 4.31Å; K391-M393 HydrophobicContact CG-SD 4.17Å; K391-S399 PolarHBondContact O-OG 3.38Å; K391-I464 HydrophobicContact CB-CG2 4.28Å; K391-E500 IonicContact NZ-OE1 2.74Å
392A84.6Confident88.2Confident44 Ų4441.9 Ų41.936%0.36423%0.231SC..PPolyproline II helixtrans-67.2128.9169.400000109.6L390 S398 L426L390-A392 PolarHBondContact O-N 2.79Å; A392-S398 WeakPolarHBondContact CA-O 3.32Å; A392-L426 HydrophobicContact CB-CD1 4.17Å; A392-L426 HydrophobicContact CB-CD2 4.13Å
393M81.6Confident88.2Confident23 Ų2341.9 Ų41.911%0.11323%0.231CC..  trans-118.3-34.3-175.5-64.7-73-83.100110.8R326 K391 S398 S399 D454 E462 V463 I464R326-M393 PolarHBondContact NH1-SD 3.4Å; R326-M393 PolarHBondContact NH2-SD 3.03Å; K391-M393 HydrophobicContact CD-SD 4.31Å; K391-M393 HydrophobicContact CG-SD 4.17Å; M393-S398 PolarHBondContact N-O 2.77Å; M393-S399 PolarHBondContact N-OG 3.05Å; M393-D454 HydrophobicContact CB-CB 4.25Å; M393-D454 WeakPolarHBondContact CB-OD2 3.18Å; M393-D454 HydrophobicContact CG-CB 4.37Å; M393-E462 HydrophobicContact CE-CB 3.37Å; M393-E462 HydrophobicContact CE-CG 4.29Å; M393-V463 WeakPolarHBondContact CE-O 3.3Å; M393-I464 HydrophobicContact CG-CG1 3.79Å
394D76.9Confident88.2Confident47 Ų4743.3 Ų43.325%0.25123%0.234SC..SBendtrans-66.8148.2171-76.9-57.4000112.3T396 G397 S398 S399D394-T396 WeakPolarHBondContact CB-OG1 3.47Å; D394-T396 PolarHBondContact O-N 3.47Å; D394-G397 PolarHBondContact O-N 3Å; D394-S398 WeakPolarHBondContact CB-O 3.05Å; D394-S398 PolarHBondContact N-O 3.44Å; D394-S399 WeakPolarHBondContact OD2-CA 3.43Å
395I70.3Confident88.1Confident185 Ų18543.3 Ų43.395%0.94923%0.234SC*.THydrogen-bonded Turntrans-56.6-23.5168.4-57.1173000111.8G397I395-G397 PolarHBondContact O-N 3.42Å
396T71.8Confident88.1Confident100 Ų10042 Ų4261%0.61323%0.228SC*.THydrogen-bonded Turntrans-68.9-10.7176.462.50000113.8D394 S398D394-T396 WeakPolarHBondContact CB-OG1 3.47Å; D394-T396 PolarHBondContact O-N 3.47Å; T396-S398 PolarHBondContact OG1-N 3.01Å
397G73.5Confident88.1Confident50 Ų5038.5 Ų38.552%0.51521%0.213SC..SBendtrans79.623-17200000113.3D394 I395D394-G397 PolarHBondContact O-N 3Å; I395-G397 PolarHBondContact O-N 3.42Å
398S83.3Confident88Confident12 Ų1239.5 Ų39.58%0.08422%0.217CC..  trans-132.8-164.6175.4-144.10000111.3A392 M393 D394 T396 N424 T425A392-S398 WeakPolarHBondContact CA-O 3.32Å; M393-S398 PolarHBondContact N-O 2.77Å; D394-S398 WeakPolarHBondContact CB-O 3.05Å; D394-S398 PolarHBondContact N-O 3.44Å; T396-S398 PolarHBondContact OG1-N 3.01Å; S398-N424 WeakPolarHBondContact CB-OD1 3.45Å; S398-N424 WeakPolarHBondContact OG-CA 3.49Å; S398-N424 PolarHBondContact OG-O 3.38Å; S398-T425 PolarHBondContact OG-N 3.42Å
399S89.9Confident88.1Confident0 Ų036.3 Ų36.30%021%0.209CC..  trans-150158.2169.6-44.90000108.7K391 M393 D394 P401 N424 T425 L426 D454K391-S399 PolarHBondContact O-OG 3.38Å; M393-S399 PolarHBondContact N-OG 3.05Å; D394-S399 WeakPolarHBondContact OD2-CA 3.43Å; S399-P401 WeakPolarHBondContact O-CD 3.48Å; S399-N424 CarbonylContact O-C 3.49Å; S399-N424 VanDerWaalsContact O-CA 3.24Å; S399-N424 WeakPolarHBondContact O-CA 3.39Å; S399-N424 PolarHBondContact O-N 2.87Å; S399-N424 VanDerWaalsContact O-N 3.08Å; S399-T425 PolarHBondContact O-N 3Å; S399-L426 WeakPolarHBondContact OG-CD2 3.06Å; S399-D454 WeakPolarHBondContact CB-OD1 3.46Å
400D93.9Very high88Confident8 Ų839.8 Ų39.84%0.04322%0.222CC..  trans-101.667.5167.5-85.25.7000109.8T421 K422 K423 N424 D454 Y455 R457D400-T421 HydrophobicContact CB-CG2 4.22Å; D400-T421 VanDerWaalsContact O-CG2 3.22Å; D400-T421 WeakPolarHBondContact O-CG2 3.22Å; D400-K422 CarbonylContact C-O 3.53Å; D400-K422 WeakPolarHBondContact CA-O 3.37Å; D400-K423 WeakPolarHBondContact OD1-CA 3.42Å; D400-K423 VanDerWaalsContact OD1-CB 3.32Å; D400-K423 WeakPolarHBondContact OD1-CB 3.32Å; D400-N424 PolarHBondContact OD1-N 3.03Å; D400-D454 WeakPolarHBondContact CA-OD1 3.45Å; D400-D454 PolarHBondContact N-OD1 2.98Å; D400-Y455 VanDerWaalsContact O-CB 3.32Å; D400-Y455 WeakPolarHBondContact O-CB 3.42Å; D400-Y455 PolarHBondContact O-N 3.07Å; D400-Y455 VanDerWaalsContact O-N 3.14Å; D400-R457 IonicContact OD2-NH2 3.23Å
401P96.8Very high87.6Confident0 Ų042.5 Ų42.50%025%0.251CS..  trans-71.6147.2-166.931.1-40.2000115.4L390 S399 T421 K422 T425 P428 Y430 V452 M453 I464L390-P401 HydrophobicContact CD1-CB 3.73Å; L390-P401 HydrophobicContact CD1-CG 3.98Å; S399-P401 WeakPolarHBondContact O-CD 3.48Å; P401-T421 WeakPolarHBondContact O-CA 3.35Å; P401-K422 WeakPolarHBondContact CD-O 3.44Å; P401-K422 VanDerWaalsContact N-O 3.11Å; P401-K422 PolarHBondContact O-N 2.91Å; P401-T425 VanDerWaalsContact CD-O 3.3Å; P401-T425 WeakPolarHBondContact CD-O 3.31Å; P401-T425 HydrophobicContact CG-CG2 4.18Å; P401-T425 VanDerWaalsContact CG-O 3.32Å; P401-T425 WeakPolarHBondContact CG-O 3.31Å; P401-P428 HydrophobicContact CB-CG 4.25Å; P401-P428 HydrophobicContact CG-CB 3.88Å; P401-P428 HydrophobicContact CG-CG 3.65Å; P401-Y430 PolarHBondContact O-OH 3.21Å; P401-V452 HydrophobicContact CB-CG1 4.45Å; P401-M453 CarbonylContact C-O 3.35Å; P401-M453 VanDerWaalsContact CA-O 3.28Å; P401-M453 WeakPolarHBondContact CA-O 3.06Å; P401-I464 HydrophobicContact CB-CD1 4.17Å
402Y97.6Very high87.7Confident20 Ų2049 Ų498%0.07828%0.275CS..EExtended strand (participates in β ladder)trans-141.9152.9163.770.6-83000111.4K404 K418 M453 D454 N461Y402-K404 HydrophobicContact CE2-CB 4.34Å; Y402-K418 HydrophobicContact CD2-CB 4.23Å; Y402-K418 HydrophobicContact CD2-CD 4.37Å; Y402-K418 HydrophobicContact CE2-CD 4.39Å; Y402-M453 HydrophobicContact CD1-CB 3.86Å; Y402-M453 HydrophobicContact CD2-CB 4.16Å; Y402-M453 HydrophobicContact CD2-CG 4.39Å; Y402-M453 HydrophobicContact CE1-CB 3.39Å; Y402-M453 HydrophobicContact CE1-CG 4.29Å; Y402-M453 HydrophobicContact CE2-CB 3.71Å; Y402-M453 HydrophobicContact CE2-CG 3.73Å; Y402-M453 HydrophobicContact CG-CB 4.22Å; Y402-M453 PolarHBondContact N-O 3.18Å; Y402-M453 PolarHBondContact O-N 3.12Å; Y402-D454 WeakPolarHBondContact CE1-O 3.27Å; Y402-N461 PolarHBondContact OH-ND2 2.83Å
403V98.1Very high88Confident0 Ų053.7 Ų53.70%028%0.283CS..EExtended strand (participates in β ladder)trans-101.7133.9179.1-173.70000110.2I367 V384 V405 K418 T419 Y430 I450 V452I367-V403 HydrophobicContact CD1-CG1 3.85Å; I367-V403 HydrophobicContact CD1-CG2 3.87Å; V384-V403 HydrophobicContact CG1-CB 4.15Å; V384-V403 HydrophobicContact CG1-CG1 4.44Å; V384-V403 HydrophobicContact CG1-CG2 3.78Å; V384-V403 HydrophobicContact CG2-CB 4.32Å; V384-V403 HydrophobicContact CG2-CG1 4.11Å; V403-V405 HydrophobicContact CG1-CG2 4.21Å; V403-K418 CarbonylContact O-C 3.6Å; V403-K418 WeakPolarHBondContact O-CA 3.34Å; V403-T419 HydrophobicContact CB-CG2 3.97Å; V403-T419 PolarHBondContact N-OG1 3.3Å; V403-T419 PolarHBondContact O-N 2.83Å; V403-T419 PolarHBondContact O-OG1 3.27Å; V403-Y430 HydrophobicContact CG2-CD2 4.39Å; V403-Y430 HydrophobicContact CG2-CE1 4.49Å; V403-Y430 HydrophobicContact CG2-CE2 3.75Å; V403-I450 HydrophobicContact CG1-CG2 3.73Å; V403-V452 HydrophobicContact CG2-CG2 4.28Å
404K97.6Very high88.5Confident64 Ų6457.7 Ų57.728%0.27830%0.304SS..EExtended strand (participates in β ladder)trans-118.1113.9178.7175.6-173171.4-168.40109Y402 R417 A451 M453Y402-K404 HydrophobicContact CE2-CB 4.34Å; K404-R417 WeakPolarHBondContact CA-O 3.25Å; K404-A451 PolarHBondContact N-O 3.48Å; K404-A451 PolarHBondContact O-N 3.13Å; K404-M453 HydrophobicContact CB-CG 4.09Å; K404-M453 HydrophobicContact CD-CG 4.43Å; K404-M453 HydrophobicContact CD-SD 4.43Å
405V97.6Very high89.3Confident0 Ų058.8 Ų58.80%031%0.306CS..EExtended strand (participates in β ladder)trans-104127.5179.4-173.90000109.6L382 V403 K416 R417 I434 F436 L448 I450L382-V405 HydrophobicContact CD1-CG1 4.08Å; L382-V405 HydrophobicContact CD1-CG2 4.39Å; L382-V405 HydrophobicContact CD2-CG2 4.17Å; V403-V405 HydrophobicContact CG1-CG2 4.21Å; V405-K416 WeakPolarHBondContact O-CA 3.2Å; V405-R417 PolarHBondContact N-O 2.82Å; V405-R417 PolarHBondContact O-N 3.48Å; V405-I434 HydrophobicContact CB-CD1 4.1Å; V405-I434 HydrophobicContact CG2-CD1 3.63Å; V405-F436 HydrophobicContact CB-CE2 4.38Å; V405-F436 HydrophobicContact CB-CZ 4.23Å; V405-F436 HydrophobicContact CG1-CE2 3.64Å; V405-F436 HydrophobicContact CG1-CZ 3.8Å; V405-L448 HydrophobicContact CG1-CD2 4.3Å; V405-I450 HydrophobicContact CG1-CG1 4.23Å; V405-I450 HydrophobicContact CG2-CG1 4.33Å; V405-I450 HydrophobicContact CG2-CG2 4.41Å
406S96.2Very high90.6Very high8 Ų856.1 Ų56.16%0.05629%0.288CS..EExtended strand (participates in β ladder)trans-120.2120.1-179.6-57.30000109.7K415 S449S406-K415 CarbonylContact C-O 3.52Å; S406-K415 WeakPolarHBondContact CA-O 3.41Å; S406-S449 PolarHBondContact N-O 2.87Å; S406-S449 PolarHBondContact O-N 2.89Å
407L95.7Very high91.8Very high5 Ų557.5 Ų57.53%0.02628%0.282CS..EExtended strand (participates in β ladder)trans-76.7121.4167.6-17967.1000108.6R413 L414 K415 F436 I438 V446 L448L407-R413 CarbonylContact O-C 3.46Å; L407-L414 HydrophobicContact CD2-CB 4.3Å; L407-L414 HydrophobicContact CD2-CD1 4.22Å; L407-L414 HydrophobicContact CG-CB 4.36Å; L407-L414 HydrophobicContact CG-CD1 4.36Å; L407-L414 PolarHBondContact O-N 2.74Å; L407-K415 HydrophobicContact CB-CB 4.18Å; L407-K415 HydrophobicContact CD2-CB 4.46Å; L407-K415 HydrophobicContact CD2-CD 4.41Å; L407-K415 PolarHBondContact N-O 3.48Å; L407-K415 PolarHBondContact O-N 3.3Å; L407-F436 HydrophobicContact CB-CD1 3.99Å; L407-F436 HydrophobicContact CB-CE1 3.99Å; L407-F436 HydrophobicContact CB-CG 4.49Å; L407-F436 HydrophobicContact CB-CZ 4.49Å; L407-F436 HydrophobicContact CD2-CB 4.41Å; L407-F436 HydrophobicContact CD2-CD1 4.26Å; L407-I438 HydrophobicContact CD1-CD1 3.65Å; L407-I438 HydrophobicContact CD1-CG1 4.35Å; L407-I438 HydrophobicContact CD2-CD1 4.36Å; L407-I438 HydrophobicContact CD2-CG1 4.2Å; L407-V446 HydrophobicContact CD1-CB 3.9Å; L407-V446 HydrophobicContact CD1-CG1 4.26Å; L407-V446 HydrophobicContact CD1-CG2 4.31Å; L407-L448 HydrophobicContact CB-CD2 4.24Å; L407-L448 HydrophobicContact CD1-CD2 3.7Å
408M93.9Very high92.9Very high23 Ų2362.1 Ų62.111%0.11329%0.288CS..EExtended strand (participates in β ladder)trans-110.1151.9-180-51.6-61.6-63.500109.5G411 R412 R413 V446 S447M408-G411 VanDerWaalsContact CE-O 3.23Å; M408-G411 WeakPolarHBondContact CE-O 3.44Å; M408-R412 CarbonylContact C-O 3.56Å; M408-R412 VanDerWaalsContact CA-O 3.27Å; M408-R412 WeakPolarHBondContact CA-O 3.46Å; M408-R413 HydrophobicContact CE-CB 4.05Å; M408-R413 HydrophobicContact SD-CB 3.66Å; M408-R413 HydrophobicContact SD-CG 3.86Å; M408-V446 WeakPolarHBondContact O-CA 3.44Å; M408-V446 WeakPolarHBondContact O-CB 3.4Å; M408-S447 WeakPolarHBondContact CA-O 3.35Å; M408-S447 WeakPolarHBondContact CB-O 3.42Å; M408-S447 PolarHBondContact N-O 3.25Å; M408-S447 PolarHBondContact O-N 3.42Å
409C90.6Very high93.6Very high25 Ų2561.8 Ų61.817%0.16929%0.285CS..EExtended strand (participates in β ladder)trans-150.3123.8173-172.30000106.9G411 R412 L414 V446C409-G411 PolarHBondContact O-N 3.2Å; C409-G411 VanDerWaalsContact O-N 3.14Å; C409-R412 PolarHBondContact N-O 3.25Å; C409-R412 WeakPolarHBondContact O-CA 3.35Å; C409-R412 WeakPolarHBondContact O-CB 3.4Å; C409-R412 PolarHBondContact O-N 3.21Å; C409-L414 HydrophobicContact CB-CD1 3.49Å; C409-L414 VanDerWaalsContact CB-CD1 3.49Å; C409-L414 HydrophobicContact CB-CG 3.89Å; C409-V446 HydrophobicContact CB-CG1 4.16Å
410E84.6Confident93.9Very high159 Ų15965.1 Ų65.174%0.74331%0.306SS*.THydrogen-bonded Turntrans47.842.8-177.3-55.1-175.2147.400113.5R412E410-R412 PolarHBondContact O-N 3Å; E410-R412 VanDerWaalsContact O-N 3.09Å
411G79.8Confident94.1Very high61 Ų6167 Ų6763%0.62932%0.318SS*.THydrogen-bonded Turntrans73.4-10.4-176.100000116M408 C409M408-G411 VanDerWaalsContact CE-O 3.23Å; M408-G411 WeakPolarHBondContact CE-O 3.44Å; C409-G411 PolarHBondContact O-N 3.2Å; C409-G411 VanDerWaalsContact O-N 3.14Å
412R87.5Confident94.1Very high196 Ų19669.9 Ų69.974%0.7433%0.33SS*.EExtended strand (participates in β ladder)trans-88140.7176.5-60.9-179.5178.2-175.50.7111.2M408 C409 E410M408-R412 CarbonylContact C-O 3.56Å; M408-R412 VanDerWaalsContact CA-O 3.27Å; M408-R412 WeakPolarHBondContact CA-O 3.46Å; C409-R412 PolarHBondContact N-O 3.25Å; C409-R412 WeakPolarHBondContact O-CA 3.35Å; C409-R412 WeakPolarHBondContact O-CB 3.4Å; C409-R412 PolarHBondContact O-N 3.21Å; E410-R412 PolarHBondContact O-N 3Å; E410-R412 VanDerWaalsContact O-N 3.09Å
413R91.7Very high93.9Very high142 Ų14275.2 Ų75.254%0.53635%0.354SS..EExtended strand (participates in β ladder)trans-89.3110.4179-175.5176.563.9-146.6-7.6111.7L407 M408L407-R413 CarbonylContact O-C 3.46Å; M408-R413 HydrophobicContact CE-CB 4.05Å; M408-R413 HydrophobicContact SD-CB 3.66Å; M408-R413 HydrophobicContact SD-CG 3.86Å
414L92.1Very high93.5Very high106 Ų10680 Ų8056%0.55538%0.38SS*.EExtended strand (participates in β ladder)trans-78.6-59.1179.8-68.5175.5000113.2L407 C409 V446L407-L414 HydrophobicContact CD2-CB 4.3Å; L407-L414 HydrophobicContact CD2-CD1 4.22Å; L407-L414 HydrophobicContact CG-CB 4.36Å; L407-L414 HydrophobicContact CG-CD1 4.36Å; L407-L414 PolarHBondContact O-N 2.74Å; C409-L414 HydrophobicContact CB-CD1 3.49Å; C409-L414 VanDerWaalsContact CB-CD1 3.49Å; C409-L414 HydrophobicContact CB-CG 3.89Å; L414-V446 HydrophobicContact CD1-CG1 4.49Å
415K94.1Very high93.2Very high70 Ų7078.8 Ų78.830%0.30438%0.377SS..EExtended strand (participates in β ladder)trans-129.6145.2-175.7-69.6176.3179.9169.90109.4S406 L407 F436 D437S406-K415 CarbonylContact C-O 3.52Å; S406-K415 WeakPolarHBondContact CA-O 3.41Å; L407-K415 HydrophobicContact CB-CB 4.18Å; L407-K415 HydrophobicContact CD2-CB 4.46Å; L407-K415 HydrophobicContact CD2-CD 4.41Å; L407-K415 PolarHBondContact N-O 3.48Å; L407-K415 PolarHBondContact O-N 3.3Å; K415-F436 HydrophobicContact CB-CD1 3.91Å; K415-F436 HydrophobicContact CB-CE1 3.84Å; K415-F436 HydrophobicContact CD-CD1 4.15Å; K415-D437 PolarHBondContact NZ-O 3.05Å; K415-D437 IonicContact NZ-OD2 3.23Å; K415-D437 PolarHBondContact NZ-OD2 2.96Å
416K95.5Very high92.8Very high129 Ų12980.9 Ų80.956%0.56139%0.388SS*.EExtended strand (participates in β ladder)trans-127.1142.3171.966.4-178.4179.1-178.10110.7V405V405-K416 WeakPolarHBondContact O-CA 3.2Å
417R97.4Very high92.7Very high130 Ų13084.6 Ų84.649%0.49141%0.408SS..EExtended strand (participates in β ladder)trans-140.9161.5174.7-64.6-65.6-177.2-98.96.2109.1K404 V405 I434 F436K404-R417 WeakPolarHBondContact CA-O 3.25Å; V405-R417 PolarHBondContact N-O 2.82Å; V405-R417 PolarHBondContact O-N 3.48Å; R417-I434 HydrophobicContact CB-CD1 4.35Å; R417-I434 HydrophobicContact CB-CG2 3.53Å; R417-I434 HydrophobicContact CG-CG2 3.81Å; R417-F436 HydrophobicContact CB-CZ 4.35Å; R417-F436 HydrophobicContact CG-CE1 3.97Å; R417-F436 HydrophobicContact CG-CZ 4.13Å
418K96.8Very high92.7Very high146 Ų14684.5 Ų84.564%0.63541%0.407SS*.EExtended strand (participates in β ladder)trans-143.6153.4176.363.3169.3-174.5167.70110.9Y402 V403Y402-K418 HydrophobicContact CD2-CB 4.23Å; Y402-K418 HydrophobicContact CD2-CD 4.37Å; Y402-K418 HydrophobicContact CE2-CD 4.39Å; V403-K418 CarbonylContact O-C 3.6Å; V403-K418 WeakPolarHBondContact O-CA 3.34Å
419T97.9Very high92.9Very high6 Ų687.1 Ų87.14%0.03742%0.424CS..  trans-78.6177171.363.40000111.5V384 V403 Y430 E432 I434V384-T419 HydrophobicContact CB-CG2 3.93Å; V384-T419 HydrophobicContact CG1-CG2 4.19Å; V384-T419 HydrophobicContact CG2-CG2 3.81Å; V403-T419 HydrophobicContact CB-CG2 3.97Å; V403-T419 PolarHBondContact N-OG1 3.3Å; V403-T419 PolarHBondContact O-N 2.83Å; V403-T419 PolarHBondContact O-OG1 3.27Å; T419-Y430 HydrophobicContact CG2-CD1 4.25Å; T419-Y430 HydrophobicContact CG2-CG 4.48Å; T419-Y430 WeakPolarHBondContact OG1-CE1 3.43Å; T419-E432 WeakPolarHBondContact CA-OE2 3.31Å; T419-E432 WeakPolarHBondContact CB-OE2 3.42Å; T419-E432 HydrophobicContact CG2-CB 4.15Å; T419-I434 HydrophobicContact CG2-CD1 4.18Å
420T97.4Very high93.2Very high70 Ų7086.6 Ų86.643%0.42942%0.419SS..PPolyproline II helixtrans-61.9153.4159.767.90000111K422 Y430 E432T420-K422 PolarHBondContact OG1-NZ 2.74Å; T420-Y430 WeakPolarHBondContact O-CE1 3.12Å; T420-E432 WeakPolarHBondContact CB-OE1 3.37Å; T420-E432 PolarHBondContact N-OE1 2.9Å; T420-E432 VanDerWaalsContact N-OE1 3.13Å; T420-E432 PolarHBondContact N-OE2 2.83Å; T420-E432 PolarHBondContact OG1-OE1 2.89Å
421T96.8Very high93.8Very high47 Ų4784.1 Ų84.129%0.28841%0.411SS..PPolyproline II helixtrans-86.6128.7172.1-53.90000109.6D400 P401 Y455D400-T421 HydrophobicContact CB-CG2 4.22Å; D400-T421 VanDerWaalsContact O-CG2 3.22Å; D400-T421 WeakPolarHBondContact O-CG2 3.22Å; P401-T421 WeakPolarHBondContact O-CA 3.35Å; T421-Y455 HydrophobicContact CG2-CD1 4.2Å; T421-Y455 HydrophobicContact CG2-CG 4.14Å
422K96.5Very high94.7Very high60 Ų6083.3 Ų83.326%0.26139%0.39SS..PPolyproline II helixtrans-97142.6168.5-54-45.5-169.6-160.30108.1D400 P401 T420 T425 P428 V429 Y430 E432D400-K422 CarbonylContact C-O 3.53Å; D400-K422 WeakPolarHBondContact CA-O 3.37Å; P401-K422 WeakPolarHBondContact CD-O 3.44Å; P401-K422 VanDerWaalsContact N-O 3.11Å; P401-K422 PolarHBondContact O-N 2.91Å; T420-K422 PolarHBondContact OG1-NZ 2.74Å; K422-T425 HydrophobicContact CB-CG2 3.74Å; K422-P428 HydrophobicContact CB-CB 3.95Å; K422-P428 HydrophobicContact CG-CB 3.81Å; K422-V429 WeakPolarHBondContact CE-O 3.19Å; K422-Y430 HydrophobicContact CG-CD1 4.19Å; K422-Y430 HydrophobicContact CG-CE1 3.88Å; K422-E432 IonicContact NZ-OE1 3.11Å
423K93.8Very high95.1Very high132 Ų13277 Ų7757%0.57438%0.38SS*.PPolyproline II helixtrans-101.8143.7-174.7-63.9-172.3174.7178.10112.5D400 T425D400-K423 WeakPolarHBondContact OD1-CA 3.42Å; D400-K423 VanDerWaalsContact OD1-CB 3.32Å; D400-K423 WeakPolarHBondContact OD1-CB 3.32Å; K423-T425 PolarHBondContact O-N 2.96Å
424N90Very high95.4Very high102 Ų10270.8 Ų70.855%0.54536%0.358SS..SBendtrans44.955.9172.1-17088.9000112.3S398 S399 D400S398-N424 WeakPolarHBondContact CB-OD1 3.45Å; S398-N424 WeakPolarHBondContact OG-CA 3.49Å; S398-N424 PolarHBondContact OG-O 3.38Å; S399-N424 CarbonylContact O-C 3.49Å; S399-N424 VanDerWaalsContact O-CA 3.24Å; S399-N424 WeakPolarHBondContact O-CA 3.39Å; S399-N424 PolarHBondContact O-N 2.87Å; S399-N424 VanDerWaalsContact O-N 3.08Å; D400-N424 PolarHBondContact OD1-N 3.03Å
425T90.9Very high95.6Very high37 Ų3769.5 Ų69.523%0.22735%0.351CS..  trans-149.7134.2179.7-1780000113S398 S399 P401 K422 K423 N427 P428S398-T425 PolarHBondContact OG-N 3.42Å; S399-T425 PolarHBondContact O-N 3Å; P401-T425 VanDerWaalsContact CD-O 3.3Å; P401-T425 WeakPolarHBondContact CD-O 3.31Å; P401-T425 HydrophobicContact CG-CG2 4.18Å; P401-T425 VanDerWaalsContact CG-O 3.32Å; P401-T425 WeakPolarHBondContact CG-O 3.31Å; K422-T425 HydrophobicContact CB-CG2 3.74Å; K423-T425 PolarHBondContact O-N 2.96Å; T425-N427 PolarHBondContact OG1-N 3Å; T425-N427 VanDerWaalsContact OG1-N 3.13Å; T425-P428 HydrophobicContact CG2-CB 3.98Å
426L89.9Confident95.7Very high44 Ų4466.2 Ų66.223%0.2334%0.336CS..SBendtrans-93.9-1.4172-53-177.7000112.7N389 L390 A392 S399 P428N389-L426 PolarHBondContact N-O 3.42Å; L390-L426 HydrophobicContact CB-CB 4.34Å; L390-L426 WeakPolarHBondContact CB-O 3.47Å; L390-L426 WeakPolarHBondContact CG-O 3.09Å; L390-L426 PolarHBondContact N-O 3.44Å; L390-L426 WeakPolarHBondContact O-CD2 3.18Å; A392-L426 HydrophobicContact CB-CD1 4.17Å; A392-L426 HydrophobicContact CB-CD2 4.13Å; S399-L426 WeakPolarHBondContact OG-CD2 3.06Å; L426-P428 VanDerWaalsContact C-CD 3.45Å
427N92.9Very high95.7Very high87 Ų8764.2 Ų64.247%0.46533%0.332SS..SBendtrans-132.958.4-179.3-59.6-79.8000110.8C387 R388 N389 T425C387-N427 CarbonylContact O-C 3.51Å; C387-N427 WeakPolarHBondContact O-CA 3.48Å; R388-N427 WeakPolarHBondContact CA-OD1 3.35Å; R388-N427 WeakPolarHBondContact CB-OD1 3.46Å; N389-N427 PolarHBondContact N-OD1 3.4Å; T425-N427 PolarHBondContact OG1-N 3Å; T425-N427 VanDerWaalsContact OG1-N 3.13Å
428P96.6Very high95.6Very high3 Ų358.2 Ų58.22%0.01931%0.309CS..  trans-67.9142.4-177.530.2-38.2000112.2K386 C387 L390 P401 K422 T425 L426 Y430K386-P428 CarbonylContact C-O 3.51Å; K386-P428 WeakPolarHBondContact CA-O 3.4Å; K386-P428 WeakPolarHBondContact CB-O 3.38Å; C387-P428 HydrophobicContact CB-CG 3.84Å; C387-P428 PolarHBondContact N-O 2.86Å; L390-P428 HydrophobicContact CD1-CG 3.73Å; P401-P428 HydrophobicContact CB-CG 4.25Å; P401-P428 HydrophobicContact CG-CB 3.88Å; P401-P428 HydrophobicContact CG-CG 3.65Å; K422-P428 HydrophobicContact CB-CB 3.95Å; K422-P428 HydrophobicContact CG-CB 3.81Å; T425-P428 HydrophobicContact CG2-CB 3.98Å; L426-P428 VanDerWaalsContact C-CD 3.45Å; P428-Y430 HydrophobicContact CB-CD2 4.46Å; P428-Y430 HydrophobicContact CB-CE1 4.38Å; P428-Y430 HydrophobicContact CB-CE2 3.7Å; P428-Y430 HydrophobicContact CG-CE2 3.64Å; P428-Y430 WeakPolarHBondContact CG-OH 3.43Å
429V97.4Very high95.4Very high77 Ų7754 Ų5447%0.46730%0.297SS..EExtended strand (participates in β ladder)trans-114.1126.4169.2-178.50000108.2K386 K422K386-V429 HydrophobicContact CB-CB 4.37Å; K386-V429 HydrophobicContact CB-CG1 4.47Å; K386-V429 HydrophobicContact CB-CG2 4Å; K422-V429 WeakPolarHBondContact CE-O 3.19Å
430Y97.5Very high95.1Very high14 Ų1456.8 Ų56.86%0.05532%0.315CS..EExtended strand (participates in β ladder)trans-107.4-57.3-176.2-57.9-86.2000111.2V384 I385 P401 V403 T419 T420 K422 P428 E432V384-Y430 HydrophobicContact CG1-CD2 3.53Å; V384-Y430 HydrophobicContact CG1-CE2 4.17Å; V384-Y430 HydrophobicContact CG1-CG 3.91Å; I385-Y430 PolarHBondContact O-N 2.87Å; P401-Y430 PolarHBondContact O-OH 3.21Å; V403-Y430 HydrophobicContact CG2-CD2 4.39Å; V403-Y430 HydrophobicContact CG2-CE1 4.49Å; V403-Y430 HydrophobicContact CG2-CE2 3.75Å; T419-Y430 HydrophobicContact CG2-CD1 4.25Å; T419-Y430 HydrophobicContact CG2-CG 4.48Å; T419-Y430 WeakPolarHBondContact OG1-CE1 3.43Å; T420-Y430 WeakPolarHBondContact O-CE1 3.12Å; K422-Y430 HydrophobicContact CG-CD1 4.19Å; K422-Y430 HydrophobicContact CG-CE1 3.88Å; P428-Y430 HydrophobicContact CB-CD2 4.46Å; P428-Y430 HydrophobicContact CB-CE1 4.38Å; P428-Y430 HydrophobicContact CB-CE2 3.7Å; P428-Y430 HydrophobicContact CG-CE2 3.64Å; P428-Y430 WeakPolarHBondContact CG-OH 3.43Å; Y430-E432 PolarHBondContact O-N 2.87Å
431N97.3Very high94.9Very high107 Ų10761 Ų6157%0.57233%0.33SS*.EExtended strand (participates in β ladder)trans53.339.5-168.7-56.3-38.4000113V384 I385V384-N431 CarbonylContact O-C 3.54Å; V384-N431 VanDerWaalsContact O-CA 3.24Å; V384-N431 WeakPolarHBondContact O-CA 3.4Å; V384-N431 PolarHBondContact O-N 2.73Å; I385-N431 PolarHBondContact O-N 2.86Å; I385-N431 VanDerWaalsContact O-N 3.16Å
432E98Very high94.6Very high44 Ų4462 Ų6221%0.20633%0.334CS..EExtended strand (participates in β ladder)trans-107.5123.3-173.6-72177.8-124.900111.6T383 V384 T419 T420 K422 Y430T383-E432 CarbonylContact C-O 3.57Å; T383-E432 WeakPolarHBondContact CA-O 3.4Å; V384-E432 PolarHBondContact N-O 2.89Å; V384-E432 PolarHBondContact O-N 2.81Å; T419-E432 WeakPolarHBondContact CA-OE2 3.31Å; T419-E432 WeakPolarHBondContact CB-OE2 3.42Å; T419-E432 HydrophobicContact CG2-CB 4.15Å; T420-E432 WeakPolarHBondContact CB-OE1 3.37Å; T420-E432 PolarHBondContact N-OE1 2.9Å; T420-E432 VanDerWaalsContact N-OE1 3.13Å; T420-E432 PolarHBondContact N-OE2 2.83Å; T420-E432 PolarHBondContact OG1-OE1 2.89Å; K422-E432 IonicContact NZ-OE1 3.11Å; Y430-E432 PolarHBondContact O-N 2.87Å
433A97.3Very high94.3Very high64 Ų6459.7 Ų59.753%0.52932%0.324SS..EExtended strand (participates in β ladder)trans-86.9125.5177.500000111.9T381T381-A433 HydrophobicContact CG2-CB 4.15Å
434I97.3Very high94.1Very high12 Ų1258.2 Ų58.26%0.06232%0.323CS..EExtended strand (participates in β ladder)trans-110.8120.8175-64.5176.6000108L382 V384 V405 R417 T419 F436L382-I434 PolarHBondContact N-O 3.18Å; L382-I434 PolarHBondContact O-N 3.25Å; V384-I434 HydrophobicContact CG2-CD1 4.22Å; V405-I434 HydrophobicContact CB-CD1 4.1Å; V405-I434 HydrophobicContact CG2-CD1 3.63Å; R417-I434 HydrophobicContact CB-CD1 4.35Å; R417-I434 HydrophobicContact CB-CG2 3.53Å; R417-I434 HydrophobicContact CG-CG2 3.81Å; T419-I434 HydrophobicContact CG2-CD1 4.18Å; I434-F436 HydrophobicContact CG2-CD2 4.25Å; I434-F436 HydrophobicContact CG2-CE2 3.51Å; I434-F436 HydrophobicContact CG2-CZ 3.67Å
435I96.7Very high94.1Very high79 Ų7958.5 Ų58.541%0.40532%0.321SS..EExtended strand (participates in β ladder)trans-107.1135.1-175.3-59.1172000110.1R379 M380 T381R379-I435 HydrophobicContact CG-CG2 3.61Å; M380-I435 WeakPolarHBondContact O-CA 3.07Å; T381-I435 HydrophobicContact CG2-CG1 4.25Å
436F96.4Very high94.3Very high0 Ų057 Ų570%031%0.312CS..EExtended strand (participates in β ladder)trans-126.8130.6170.8-61.3-78.3000110.5M380 V405 L407 K415 R417 I434 I438 L448M380-F436 HydrophobicContact CB-CB 4.43Å; M380-F436 PolarHBondContact N-O 2.79Å; M380-F436 PolarHBondContact O-N 2.85Å; V405-F436 HydrophobicContact CB-CE2 4.38Å; V405-F436 HydrophobicContact CB-CZ 4.23Å; V405-F436 HydrophobicContact CG1-CE2 3.64Å; V405-F436 HydrophobicContact CG1-CZ 3.8Å; L407-F436 HydrophobicContact CB-CD1 3.99Å; L407-F436 HydrophobicContact CB-CE1 3.99Å; L407-F436 HydrophobicContact CB-CG 4.49Å; L407-F436 HydrophobicContact CB-CZ 4.49Å; L407-F436 HydrophobicContact CD2-CB 4.41Å; L407-F436 HydrophobicContact CD2-CD1 4.26Å; K415-F436 HydrophobicContact CB-CD1 3.91Å; K415-F436 HydrophobicContact CB-CE1 3.84Å; K415-F436 HydrophobicContact CD-CD1 4.15Å; R417-F436 HydrophobicContact CB-CZ 4.35Å; R417-F436 HydrophobicContact CG-CE1 3.97Å; R417-F436 HydrophobicContact CG-CZ 4.13Å; I434-F436 HydrophobicContact CG2-CD2 4.25Å; I434-F436 HydrophobicContact CG2-CE2 3.51Å; I434-F436 HydrophobicContact CG2-CZ 3.67Å; F436-I438 HydrophobicContact CB-CD1 4.08Å; F436-I438 HydrophobicContact CB-CG1 3.97Å; F436-I438 PolarHBondContact O-N 3.11Å; F436-L448 HydrophobicContact CD2-CD2 3.98Å; F436-L448 HydrophobicContact CE2-CD2 3.87Å
437D95.3Very high94.5Very high87 Ų8755.2 Ų55.247%0.46530%0.302SS..EExtended strand (participates in β ladder)trans-80.2115.6168.6-25.5-82.5000108.1G378 K415G378-D437 CarbonylContact O-C 3.49Å; G378-D437 VanDerWaalsContact O-CA 3.32Å; G378-D437 WeakPolarHBondContact O-CA 3.5Å; K415-D437 PolarHBondContact NZ-O 3.05Å; K415-D437 IonicContact NZ-OD2 3.23Å; K415-D437 PolarHBondContact NZ-OD2 2.96Å
438I94.3Very high94.6Very high4 Ų451 Ų512%0.02128%0.28CS..  trans-136.3102.2-176.5-52.5-178.7000107.3Y373 G378 M380 L407 F436 V443 V446Y373-I438 HydrophobicContact CE2-CB 4.43Å; Y373-I438 WeakPolarHBondContact CE2-O 3.22Å; Y373-I438 PolarHBondContact OH-O 3.47Å; G378-I438 CarbonylContact C-O 3.57Å; G378-I438 VanDerWaalsContact CA-O 3.23Å; G378-I438 WeakPolarHBondContact CA-O 3.48Å; G378-I438 CarbonylContact O-C 3.5Å; G378-I438 PolarHBondContact O-N 2.85Å; G378-I438 VanDerWaalsContact O-O 3.11Å; M380-I438 HydrophobicContact CB-CD1 3.62Å; M380-I438 HydrophobicContact CB-CG1 4.15Å; M380-I438 HydrophobicContact CG-CD1 4.08Å; L407-I438 HydrophobicContact CD1-CD1 3.65Å; L407-I438 HydrophobicContact CD1-CG1 4.35Å; L407-I438 HydrophobicContact CD2-CD1 4.36Å; L407-I438 HydrophobicContact CD2-CG1 4.2Å; F436-I438 HydrophobicContact CB-CD1 4.08Å; F436-I438 HydrophobicContact CB-CG1 3.97Å; F436-I438 PolarHBondContact O-N 3.11Å; I438-V443 HydrophobicContact CG2-CB 4.49Å; I438-V443 HydrophobicContact CG2-CG2 3.99Å; I438-V446 HydrophobicContact CD1-CG2 4.22Å; I438-V446 HydrophobicContact CG2-CG2 3.85Å
439P94Very high94.5Very high57 Ų5752 Ų5237%0.3729%0.287SS..  trans-56.4149.5173.1-24.434.8000111.7E441 N442 V443P439-E441 PolarHBondContact O-N 2.95Å; P439-N442 PolarHBondContact O-N 3.33Å; P439-V443 PolarHBondContact O-N 3.1Å
440P91.8Very high94.5Very high65 Ų6548.4 Ų48.442%0.42227%0.265SS..G310 helixtrans-60.4-35.2-178.224.2-33.7000112.5Y373 N442 V443Y373-P440 VanDerWaalsContact OH-CA 3.28Å; Y373-P440 WeakPolarHBondContact OH-CA 3.17Å; P440-N442 PolarHBondContact O-N 3.29Å; P440-N442 VanDerWaalsContact O-N 3.16Å; P440-V443 PolarHBondContact O-N 3.5Å
441E92Very high94.5Very high160 Ų16048.3 Ų48.375%0.74827%0.267SS*.G310 helixtrans-56.7-27.3174.7-66.2154.4-124.700113.8P439P439-E441 PolarHBondContact O-N 2.95Å
442N90.7Very high94.5Very high68 Ų6843.2 Ų43.236%0.36424%0.24SC..G310 helixtrans-104.4-3.4-174.8-63.1-6.4000112.7P439 P440 D444 Q445 V446P439-N442 PolarHBondContact O-N 3.33Å; P440-N442 PolarHBondContact O-N 3.29Å; P440-N442 VanDerWaalsContact O-N 3.16Å; N442-D444 PolarHBondContact O-N 2.91Å; N442-Q445 PolarHBondContact O-N 3.48Å; N442-V446 WeakPolarHBondContact O-CG1 3.31Å; N442-V446 WeakPolarHBondContact O-CG2 3.4Å; N442-V446 PolarHBondContact O-N 3.35Å
443V90.6Very high94.3Very high10 Ų1041.7 Ų41.76%0.06123%0.233CC..THydrogen-bonded Turntrans-64.6-28.6-171.3106.20000112.3Y373 M380 I438 P439 P440 V446 W481 L485Y373-V443 HydrophobicContact CD1-CG2 4.3Å; Y373-V443 HydrophobicContact CD2-CG2 4.39Å; Y373-V443 HydrophobicContact CE1-CG2 3.87Å; Y373-V443 HydrophobicContact CE2-CG2 3.98Å; M380-V443 HydrophobicContact CE-CG2 4.35Å; I438-V443 HydrophobicContact CG2-CB 4.49Å; I438-V443 HydrophobicContact CG2-CG2 3.99Å; P439-V443 PolarHBondContact O-N 3.1Å; P440-V443 PolarHBondContact O-N 3.5Å; V443-V446 WeakPolarHBondContact O-CG2 3Å; V443-W481 HydrophobicContact CG2-CZ2 4.45Å; V443-L485 HydrophobicContact CG1-CD1 4.44Å; V443-L485 HydrophobicContact CG1-CD2 3.88Å; V443-L485 HydrophobicContact CG2-CD2 4.36Å
444D89.6Confident94.2Very high102 Ų10238.7 Ų38.755%0.54521%0.208SC..THydrogen-bonded Turntrans-82.3-16.7-179-58.9-30.7000113.3N442 L471N442-D444 PolarHBondContact O-N 2.91Å; D444-L471 HydrophobicContact CB-CD1 3.75Å
445Q90.5Very high94Very high108 Ų10842.5 Ų42.551%0.50522%0.222SC..THydrogen-bonded Turntrans-98.3-7.8-177.1-61.8177.76.500113.2N442N442-Q445 PolarHBondContact O-N 3.48Å
446V94Very high93.4Very high6 Ų640.3 Ų40.34%0.03621%0.211CC..EExtended strand (participates in β ladder)trans-108.4152.8-174.8-63.60000112.9L407 M408 C409 L414 I438 N442 V443 W481L407-V446 HydrophobicContact CD1-CB 3.9Å; L407-V446 HydrophobicContact CD1-CG1 4.26Å; L407-V446 HydrophobicContact CD1-CG2 4.31Å; M408-V446 WeakPolarHBondContact O-CA 3.44Å; M408-V446 WeakPolarHBondContact O-CB 3.4Å; C409-V446 HydrophobicContact CB-CG1 4.16Å; L414-V446 HydrophobicContact CD1-CG1 4.49Å; I438-V446 HydrophobicContact CD1-CG2 4.22Å; I438-V446 HydrophobicContact CG2-CG2 3.85Å; N442-V446 WeakPolarHBondContact O-CG1 3.31Å; N442-V446 WeakPolarHBondContact O-CG2 3.4Å; N442-V446 PolarHBondContact O-N 3.35Å; V443-V446 WeakPolarHBondContact O-CG2 3Å; V446-W481 HydrophobicContact CG2-CH2 4.2Å; V446-W481 HydrophobicContact CG2-CZ2 4.12Å
447S94.6Very high92.4Very high5 Ų548.6 Ų48.64%0.03524%0.243CC..EExtended strand (participates in β ladder)trans-141.8156.1170.460.80000111.9M408 T469 D472M408-S447 WeakPolarHBondContact CA-O 3.35Å; M408-S447 WeakPolarHBondContact CB-O 3.42Å; M408-S447 PolarHBondContact N-O 3.25Å; M408-S447 PolarHBondContact O-N 3.42Å; S447-T469 CarbonylContact C-O 3.5Å; S447-T469 WeakPolarHBondContact CA-O 3.35Å; S447-T469 WeakPolarHBondContact CB-O 3.47Å; S447-D472 WeakPolarHBondContact CB-OD1 3.44Å; S447-D472 PolarHBondContact OG-OD1 2.75Å; S447-D472 VanDerWaalsContact OG-OD1 3.12Å; S447-D472 PolarHBondContact OG-OD2 2.86Å
448L95.4Very high91.3Very high0 Ų051 Ų510%026%0.261CS..EExtended strand (participates in β ladder)trans-104.4116177.1-61.4176.6000109.3L371 L382 V405 L407 F436 I450 R468 T469 W481L371-L448 HydrophobicContact CD2-CD1 3.94Å; L382-L448 HydrophobicContact CD1-CD1 3.85Å; V405-L448 HydrophobicContact CG1-CD2 4.3Å; L407-L448 HydrophobicContact CB-CD2 4.24Å; L407-L448 HydrophobicContact CD1-CD2 3.7Å; F436-L448 HydrophobicContact CD2-CD2 3.98Å; F436-L448 HydrophobicContact CE2-CD2 3.87Å; L448-I450 HydrophobicContact CB-CG1 4.5Å; L448-R468 WeakPolarHBondContact O-CA 3.48Å; L448-T469 PolarHBondContact N-O 3.12Å; L448-T469 PolarHBondContact O-N 3.25Å; L448-W481 HydrophobicContact CD1-CZ3 3.95Å; L448-W481 HydrophobicContact CG-CZ3 3.98Å
449S95.1Very high90.4Very high24 Ų2453.7 Ų53.717%0.16829%0.289CS..EExtended strand (participates in β ladder)trans-93.4117.9167.6175.20000109.1S406S406-S449 PolarHBondContact N-O 2.87Å; S406-S449 PolarHBondContact O-N 2.89Å
450I96.6Very high89.6Confident0 Ų059.3 Ų59.30%031%0.31CS..EExtended strand (participates in β ladder)trans-113.3114.7-173.7-58.8156.3000106.8I367 F369 L382 V403 V405 L448 V466 C467I367-I450 HydrophobicContact CD1-CG2 3.92Å; F369-I450 HydrophobicContact CD1-CD1 4.24Å; F369-I450 HydrophobicContact CD2-CD1 4.25Å; F369-I450 HydrophobicContact CE1-CD1 3.72Å; F369-I450 HydrophobicContact CE2-CD1 3.73Å; F369-I450 HydrophobicContact CG-CD1 4.48Å; F369-I450 HydrophobicContact CZ-CD1 3.46Å; F369-I450 VanDerWaalsContact CZ-CD1 3.46Å; L382-I450 HydrophobicContact CD1-CD1 3.68Å; L382-I450 HydrophobicContact CD1-CG1 3.99Å; V403-I450 HydrophobicContact CG1-CG2 3.73Å; V405-I450 HydrophobicContact CG1-CG1 4.23Å; V405-I450 HydrophobicContact CG2-CG1 4.33Å; V405-I450 HydrophobicContact CG2-CG2 4.41Å; L448-I450 HydrophobicContact CB-CG1 4.5Å; I450-V466 CarbonylContact O-C 3.52Å; I450-V466 VanDerWaalsContact O-CA 3.31Å; I450-V466 WeakPolarHBondContact O-CA 3.4Å; I450-C467 PolarHBondContact N-O 2.77Å; I450-C467 PolarHBondContact O-N 2.84Å
451A96.6Very high89.3Confident12 Ų1259 Ų5910%0.09930%0.304CS..EExtended strand (participates in β ladder)trans-114.9125-18000000110.3K404 M453 V466K404-A451 PolarHBondContact N-O 3.48Å; K404-A451 PolarHBondContact O-N 3.13Å; A451-M453 HydrophobicContact CB-SD 4.08Å; A451-V466 HydrophobicContact CB-CG1 3.81Å
452V96.9Very high89.1Confident0 Ų054.7 Ų54.70%028%0.284CS..EExtended strand (participates in β ladder)trans-85.3123.9166.1-172.50000106.9I367 L390 P401 V403 I464 G465 L498I367-V452 HydrophobicContact CD1-CG2 4.03Å; L390-V452 HydrophobicContact CD1-CG1 3.95Å; L390-V452 HydrophobicContact CD2-CG1 4.05Å; P401-V452 HydrophobicContact CB-CG1 4.45Å; V403-V452 HydrophobicContact CG2-CG2 4.28Å; V452-I464 HydrophobicContact CB-CB 4.34Å; V452-I464 HydrophobicContact CG1-CB 4.2Å; V452-I464 HydrophobicContact CG1-CD1 4.04Å; V452-I464 PolarHBondContact O-N 3.24Å; V452-G465 PolarHBondContact N-O 2.81Å; V452-G465 PolarHBondContact O-N 2.97Å; V452-L498 HydrophobicContact CB-CD1 4.02Å; V452-L498 HydrophobicContact CB-CD2 4.45Å; V452-L498 HydrophobicContact CG2-CD1 3.68Å; V452-L498 HydrophobicContact CG2-CD2 3.62Å; V452-L498 HydrophobicContact CG2-CG 4.32Å
453M95.6Very high89.2Confident13 Ų1353.6 Ų53.66%0.06428%0.28CS..EExtended strand (participates in β ladder)trans-117.5147.6-174.3-57.4-69.4-47.100108.8P401 Y402 K404 A451 N461 E462 V463P401-M453 CarbonylContact C-O 3.35Å; P401-M453 VanDerWaalsContact CA-O 3.28Å; P401-M453 WeakPolarHBondContact CA-O 3.06Å; Y402-M453 HydrophobicContact CD1-CB 3.86Å; Y402-M453 HydrophobicContact CD2-CB 4.16Å; Y402-M453 HydrophobicContact CD2-CG 4.39Å; Y402-M453 HydrophobicContact CE1-CB 3.39Å; Y402-M453 HydrophobicContact CE1-CG 4.29Å; Y402-M453 HydrophobicContact CE2-CB 3.71Å; Y402-M453 HydrophobicContact CE2-CG 3.73Å; Y402-M453 HydrophobicContact CG-CB 4.22Å; Y402-M453 PolarHBondContact N-O 3.18Å; Y402-M453 PolarHBondContact O-N 3.12Å; K404-M453 HydrophobicContact CB-CG 4.09Å; K404-M453 HydrophobicContact CD-CG 4.43Å; K404-M453 HydrophobicContact CD-SD 4.43Å; A451-M453 HydrophobicContact CB-SD 4.08Å; M453-N461 HydrophobicContact CE-CB 4.34Å; M453-N461 WeakPolarHBondContact CE-O 3.41Å; M453-E462 CarbonylContact C-O 3.49Å; M453-E462 WeakPolarHBondContact CA-O 3.3Å; M453-E462 WeakPolarHBondContact CE-O 3.5Å; M453-V463 HydrophobicContact CE-CG2 3.83Å; M453-V463 HydrophobicContact SD-CB 4.4Å; M453-V463 HydrophobicContact SD-CG2 3.82Å
454D94.1Very high89.2Confident0 Ų053.3 Ų53.30%028%0.278CS..  trans-88.8155.7163-160.412.2000111.2M393 S399 D400 Y402 N461 E462 I464M393-D454 HydrophobicContact CB-CB 4.25Å; M393-D454 WeakPolarHBondContact CB-OD2 3.18Å; M393-D454 HydrophobicContact CG-CB 4.37Å; S399-D454 WeakPolarHBondContact CB-OD1 3.46Å; D400-D454 WeakPolarHBondContact CA-OD1 3.45Å; D400-D454 PolarHBondContact N-OD1 2.98Å; Y402-D454 WeakPolarHBondContact CE1-O 3.27Å; D454-N461 WeakPolarHBondContact O-CA 3.47Å; D454-N461 VanDerWaalsContact O-CB 3.27Å; D454-N461 WeakPolarHBondContact O-CB 3.42Å; D454-E462 PolarHBondContact N-O 2.96Å; D454-I464 HydrophobicContact CB-CD1 4.12Å; D454-I464 HydrophobicContact CB-CG1 4.15Å
455Y92.5Very high89.3Confident92 Ų9248.5 Ų48.536%0.36125%0.253SS..  trans-117.392.8178.1177-105.9000112.3D400 T421 R457D400-Y455 VanDerWaalsContact O-CB 3.32Å; D400-Y455 WeakPolarHBondContact O-CB 3.42Å; D400-Y455 PolarHBondContact O-N 3.07Å; D400-Y455 VanDerWaalsContact O-N 3.14Å; T421-Y455 HydrophobicContact CG2-CD1 4.2Å; T421-Y455 HydrophobicContact CG2-CG 4.14Å; Y455-R457 HydrophobicContact CE1-CG 4.26Å
456D84.6Confident89.4Confident33 Ų3344 Ų4418%0.17623%0.232CC..  trans-70.7128.9171.8-57.3-86.3000111.9V458 N461 E462D456-V458 VanDerWaalsContact C-N 3.3Å; D456-N461 VanDerWaalsContact OD2-CA 3.26Å; D456-N461 WeakPolarHBondContact OD2-CA 3.41Å; D456-N461 PolarHBondContact OD2-N 3.14Å; D456-E462 PolarHBondContact OD2-N 3.49Å
457R75.4Confident89.3Confident174 Ų17444.1 Ų44.166%0.65723%0.234SC*.SBendtrans-73-26170.6-60.4-175.1-166174.410.2112.7D400 Y455D400-R457 IonicContact OD2-NH2 3.23Å; Y455-R457 HydrophobicContact CE1-CG 4.26Å
458V72.4Confident89.3Confident139 Ų13949.2 Ų49.284%0.84225%0.252SS*.SBendtrans-140.596.6-177.1-177.60000107.3D456D456-V458 VanDerWaalsContact C-N 3.3Å
459G74.6Confident89.2Confident59 Ų5949.2 Ų49.261%0.60825%0.252SS*.SBendtrans142.1-153.3-17600000112.6
460H77.8Confident89Confident175 Ų17548.1 Ų48.181%0.8124%0.244SC*.  trans-121116.4177.7-68.3-59.4000110.3E462H460-E462 PolarHBondContact O-N 3.46Å
461N86.6Confident88.6Confident58 Ų5851.3 Ų51.331%0.3126%0.261SS..  trans-37110.1174.9-60.322.1000113.4Y402 M453 D454 D456Y402-N461 PolarHBondContact OH-ND2 2.83Å; M453-N461 HydrophobicContact CE-CB 4.34Å; M453-N461 WeakPolarHBondContact CE-O 3.41Å; D454-N461 WeakPolarHBondContact O-CA 3.47Å; D454-N461 VanDerWaalsContact O-CB 3.27Å; D454-N461 WeakPolarHBondContact O-CB 3.42Å; D456-N461 VanDerWaalsContact OD2-CA 3.26Å; D456-N461 WeakPolarHBondContact OD2-CA 3.41Å; D456-N461 PolarHBondContact OD2-N 3.14Å
462E88Confident88.1Confident71 Ų7155.1 Ų55.133%0.33228%0.28SS..  trans-81.2155.9-179.7-63.3-162.595.900113R326 M393 M453 D454 D456 H460R326-E462 IonicContact CZ-OE1 3.99Å; R326-E462 IonicContact CZ-OE2 3.78Å; R326-E462 IonicContact NE-OE1 2.64Å; R326-E462 IonicContact NE-OE2 2.83Å; R326-E462 VanDerWaalsContact NH2-CD 3.35Å; R326-E462 IonicContact NH2-OE1 2.85Å; R326-E462 PolarHBondContact NH2-OE1 3.26Å; R326-E462 IonicContact NH2-OE2 2.82Å; R326-E462 PolarHBondContact NH2-OE2 2.77Å; M393-E462 HydrophobicContact CE-CB 3.37Å; M393-E462 HydrophobicContact CE-CG 4.29Å; M453-E462 CarbonylContact C-O 3.49Å; M453-E462 WeakPolarHBondContact CA-O 3.3Å; M453-E462 WeakPolarHBondContact CE-O 3.5Å; D454-E462 PolarHBondContact N-O 2.96Å; D456-E462 PolarHBondContact OD2-N 3.49Å; H460-E462 PolarHBondContact O-N 3.46Å
463V91.1Very high87.4Confident44 Ų4455.5 Ų55.527%0.26728%0.283SS..EExtended strand (participates in β ladder)trans-86.5124.3172.7-1760000107.9M393 M453 V466M393-V463 WeakPolarHBondContact CE-O 3.3Å; M453-V463 HydrophobicContact CE-CG2 3.83Å; M453-V463 HydrophobicContact SD-CB 4.4Å; M453-V463 HydrophobicContact SD-CG2 3.82Å; V463-V466 HydrophobicContact CG1-CG1 3.92Å
464I90.5Very high86.7Confident5 Ų563.5 Ų63.53%0.02632%0.32CS..EExtended strand (participates in β ladder)trans-77-48.3171.3-67.1169.5000109.2L364 L390 K391 M393 P401 V452 D454L364-I464 WeakPolarHBondContact CD1-O 3.41Å; L390-I464 HydrophobicContact CB-CG2 4.46Å; L390-I464 HydrophobicContact CD1-CD1 4.42Å; L390-I464 HydrophobicContact CD2-CG2 4.26Å; K391-I464 HydrophobicContact CB-CG2 4.28Å; M393-I464 HydrophobicContact CG-CG1 3.79Å; P401-I464 HydrophobicContact CB-CD1 4.17Å; V452-I464 HydrophobicContact CB-CB 4.34Å; V452-I464 HydrophobicContact CG1-CB 4.2Å; V452-I464 HydrophobicContact CG1-CD1 4.04Å; V452-I464 PolarHBondContact O-N 3.24Å; D454-I464 HydrophobicContact CB-CD1 4.12Å; D454-I464 HydrophobicContact CB-CG1 4.15Å
465G91.8Very high86.3Confident1 Ų165.5 Ų65.51%0.0134%0.34CS..EExtended strand (participates in β ladder)trans178.9172175.800000112.2V452 L499V452-G465 PolarHBondContact N-O 2.81Å; V452-G465 PolarHBondContact O-N 2.97Å; G465-L499 CarbonylContact C-O 3.55Å; G465-L499 VanDerWaalsContact CA-O 3.31Å; G465-L499 WeakPolarHBondContact CA-O 3.39Å
466V93.3Very high86Confident13 Ų1365.9 Ų65.98%0.07935%0.348CS..EExtended strand (participates in β ladder)trans-132.5152.5-174.5-56.90000112.4I450 A451 V463 L499 L501I450-V466 CarbonylContact O-C 3.52Å; I450-V466 VanDerWaalsContact O-CA 3.31Å; I450-V466 WeakPolarHBondContact O-CA 3.4Å; A451-V466 HydrophobicContact CB-CG1 3.81Å; V463-V466 HydrophobicContact CG1-CG1 3.92Å; V466-L499 PolarHBondContact N-O 3.17Å; V466-L499 PolarHBondContact O-N 3.02Å; V466-L501 HydrophobicContact CG1-CB 4.36Å; V466-L501 HydrophobicContact CG1-CD1 3.96Å; V466-L501 HydrophobicContact CG2-CD1 4.35Å
467C92.7Very high86.2Confident9 Ų964.5 Ų64.56%0.06134%0.342CS..EExtended strand (participates in β ladder)trans-134.1161.9161.658.50000109.9I450 H496I450-C467 PolarHBondContact N-O 2.77Å; I450-C467 PolarHBondContact O-N 2.84Å; C467-H496 HydrophobicContact CB-CB 4.18Å
468R92.8Very high87Confident112 Ų11261.6 Ų61.642%0.42333%0.331SS..EExtended strand (participates in β ladder)trans-128.3142.2179.8-83.3173.2151.1-1161.9109.4L448 D472 A473 G477L448-R468 WeakPolarHBondContact O-CA 3.48Å; R468-D472 IonicContact NH1-OD2 2.63Å; R468-D472 PolarHBondContact NH1-OD2 2.94Å; R468-A473 HydrophobicContact CB-CB 4.4Å; R468-G477 VanDerWaalsContact O-CA 3.22Å; R468-G477 WeakPolarHBondContact O-CA 3.41Å
469T93.7Very high87.9Confident0 Ų058.7 Ų58.70%031%0.311CS..EExtended strand (participates in β ladder)trans-133.8137.8170.449.10000109.7F369 L371 S447 L448 G477F369-T469 HydrophobicContact CE2-CG2 3.9Å; F369-T469 HydrophobicContact CZ-CG2 3.58Å; L371-T469 HydrophobicContact CD1-CG2 4.36Å; S447-T469 CarbonylContact C-O 3.5Å; S447-T469 WeakPolarHBondContact CA-O 3.35Å; S447-T469 WeakPolarHBondContact CB-O 3.47Å; L448-T469 PolarHBondContact N-O 3.12Å; L448-T469 PolarHBondContact O-N 3.25Å; T469-G477 WeakPolarHBondContact CA-O 3.49Å; T469-G477 WeakPolarHBondContact CB-O 3.33Å; T469-G477 WeakPolarHBondContact CG2-O 3.45Å
470G92.3Very high88.9Confident0 Ų056 Ų560%028%0.282CS..EExtended strand (participates in β ladder)trans156.5172.4-170.800000110.9D472 A473G470-D472 VanDerWaalsContact C-N 3.26Å; G470-D472 PolarHBondContact O-N 3.47Å; G470-A473 WeakPolarHBondContact O-CB 3.43Å; G470-A473 PolarHBondContact O-N 2.82Å
471L88Confident89.7Confident68 Ų6847.7 Ų47.736%0.35624%0.244SC..THydrogen-bonded Turntrans-69.3-26.1173.1-63.1-178.4000112.5D444 A473 N482D444-L471 HydrophobicContact CB-CD1 3.75Å; L471-A473 VanDerWaalsContact C-N 3.3Å; L471-N482 WeakPolarHBondContact CD2-OD1 2.95Å
472D84.9Confident90.1Very high92 Ų9248.1 Ų48.149%0.49225%0.246SC..THydrogen-bonded Turntrans-82.2-1.6174.975-36.8000113.9S447 R468 G470S447-D472 WeakPolarHBondContact CB-OD1 3.44Å; S447-D472 PolarHBondContact OG-OD1 2.75Å; S447-D472 VanDerWaalsContact OG-OD1 3.12Å; S447-D472 PolarHBondContact OG-OD2 2.86Å; R468-D472 IonicContact NH1-OD2 2.63Å; R468-D472 PolarHBondContact NH1-OD2 2.94Å; G470-D472 VanDerWaalsContact C-N 3.26Å; G470-D472 PolarHBondContact O-N 3.47Å
473A83.8Confident90.4Very high8 Ų848 Ų487%0.06625%0.246CC..  trans-83.6162.5178.500000111.6R468 G470 L471 R478R468-A473 HydrophobicContact CB-CB 4.4Å; G470-A473 WeakPolarHBondContact O-CB 3.43Å; G470-A473 PolarHBondContact O-N 2.82Å; L471-A473 VanDerWaalsContact C-N 3.3Å; A473-R478 HydrophobicContact CB-CB 4.44Å; A473-R478 WeakPolarHBondContact O-CB 3.46Å
474E79.3Confident90.6Very high180 Ų18045.9 Ų45.984%0.84123%0.233SC*.  trans-109.2154.9175.2-66.6179.2175.700110.9G477E474-G477 PolarHBondContact O-N 2.75Å
475G85.9Confident90.7Very high42 Ų4247.2 Ų47.243%0.43324%0.24SC..THydrogen-bonded Turntrans52.3-137.9179.600000114.6G477 R478 D479G475-G477 PolarHBondContact O-N 2.58Å; G475-R478 WeakPolarHBondContact O-CB 3.22Å; G475-R478 PolarHBondContact O-N 2.84Å; G475-D479 PolarHBondContact O-N 3.05Å
476L87Confident90.8Very high100 Ų10050.4 Ų50.452%0.52427%0.266SS..Hα-helixtrans-50.6-31.1-177-63.4174.7000113.8R478 D479 H480 H496L476-R478 VanDerWaalsContact C-N 3.3Å; L476-R478 PolarHBondContact O-N 3.34Å; L476-D479 PolarHBondContact O-N 3.29Å; L476-H480 WeakPolarHBondContact O-CB 3.34Å; L476-H480 PolarHBondContact O-N 3.17Å; L476-H496 PolarHBondContact O-CE1 2.87Å
477G88.9Confident90.8Very high4 Ų455.5 Ų55.54%0.04129%0.285CS..Hα-helixtrans-61.8-37.9179.200000113.2R468 T469 E474 G475R468-G477 VanDerWaalsContact O-CA 3.22Å; R468-G477 WeakPolarHBondContact O-CA 3.41Å; T469-G477 WeakPolarHBondContact CA-O 3.49Å; T469-G477 WeakPolarHBondContact CB-O 3.33Å; T469-G477 WeakPolarHBondContact CG2-O 3.45Å; E474-G477 PolarHBondContact O-N 2.75Å; G475-G477 PolarHBondContact O-N 2.58Å
478R91.9Very high90.6Very high114 Ų11459.7 Ų59.743%0.4330%0.303SS..Hα-helixtrans-80.4-40.7176.9-169.6179.562.9-171-3111.6A473 G475 L476 H480 W481 N482A473-R478 HydrophobicContact CB-CB 4.44Å; A473-R478 WeakPolarHBondContact O-CB 3.46Å; G475-R478 WeakPolarHBondContact O-CB 3.22Å; G475-R478 PolarHBondContact O-N 2.84Å; L476-R478 VanDerWaalsContact C-N 3.3Å; L476-R478 PolarHBondContact O-N 3.34Å; R478-H480 PolarHBondContact O-N 2.98Å; R478-W481 WeakPolarHBondContact O-CB 3.44Å; R478-W481 PolarHBondContact O-N 2.89Å; R478-W481 VanDerWaalsContact O-N 3.13Å; R478-N482 PolarHBondContact O-N 3.03Å
479D91.8Very high90.5Very high78 Ų7862.1 Ų62.142%0.41731%0.313SS..Hα-helixtrans-66.2-40.6-177-58.4-24.6000111.2G475 L476 W481 N482 E483G475-D479 PolarHBondContact O-N 3.05Å; L476-D479 PolarHBondContact O-N 3.29Å; D479-W481 VanDerWaalsContact C-N 3.32Å; D479-W481 PolarHBondContact O-N 3.29Å; D479-N482 PolarHBondContact O-N 3.27Å; D479-E483 WeakPolarHBondContact O-CB 3.27Å; D479-E483 PolarHBondContact O-N 3.28Å
480H94.4Very high90.5Very high2 Ų268.2 Ų68.21%0.00934%0.339CS..Hα-helixtrans-61.2-38.1171.9-173.2-173.6000112.4F369 L476 R478 M484 I492 H494 H496F369-H480 AromaticContact CD2-CE1 3.7Å; F369-H480 AromaticContact CE2-CE1 3.4Å; F369-H480 WeakPolarHBondContact CE2-CE1 3.41Å; F369-H480 AromaticContact CE2-ND1 3.44Å; F369-H480 WeakPolarHBondContact CE2-ND1 3.39Å; F369-H480 AromaticContact CZ-ND1 3.75Å; F369-H480 PolarHBondContact O-CE1 3.12Å; L476-H480 WeakPolarHBondContact O-CB 3.34Å; L476-H480 PolarHBondContact O-N 3.17Å; R478-H480 PolarHBondContact O-N 2.98Å; H480-M484 WeakPolarHBondContact O-CB 3.23Å; H480-M484 PolarHBondContact O-N 3.15Å; H480-M484 VanDerWaalsContact O-N 3.1Å; H480-I492 PolarHBondContact NE2-O 3.22Å; H480-H494 AromaticContact CD2-CD2 3.56Å; H480-H494 AromaticContact CG-CD2 3.74Å; H480-H496 AromaticContact CE1-NE2 3.98Å; H480-H496 AromaticContact CG-NE2 3.74Å; H480-H496 AromaticContact ND1-CD2 3.94Å; H480-H496 AromaticContact ND1-CE1 3.75Å; H480-H496 AromaticContact ND1-NE2 3.03Å; H480-H496 PolarHBondContact ND1-NE2 3.47Å
481W95.1Very high90.6Very high0 Ų072.2 Ų72.20%037%0.365CS..Hα-helixtrans-68.5-45176.9-170.2-92.6000111.6L371 M380 V443 V446 L448 R478 D479 E483 M484 L485L371-W481 HydrophobicContact CD1-CE3 4.16Å; M380-W481 HydrophobicContact CE-CH2 3.78Å; M380-W481 HydrophobicContact CE-CZ2 4.25Å; M380-W481 HydrophobicContact CE-CZ3 4.13Å; V443-W481 HydrophobicContact CG2-CZ2 4.45Å; V446-W481 HydrophobicContact CG2-CH2 4.2Å; V446-W481 HydrophobicContact CG2-CZ2 4.12Å; L448-W481 HydrophobicContact CD1-CZ3 3.95Å; L448-W481 HydrophobicContact CG-CZ3 3.98Å; R478-W481 WeakPolarHBondContact O-CB 3.44Å; R478-W481 PolarHBondContact O-N 2.89Å; R478-W481 VanDerWaalsContact O-N 3.13Å; D479-W481 VanDerWaalsContact C-N 3.32Å; D479-W481 PolarHBondContact O-N 3.29Å; W481-E483 PolarHBondContact O-N 3.09Å; W481-M484 HydrophobicContact CD2-CE 3.62Å; W481-M484 HydrophobicContact CE3-CE 3.83Å; W481-M484 HydrophobicContact CE3-SD 4.4Å; W481-M484 HydrophobicContact CG-CE 4.04Å; W481-M484 HydrophobicContact CH2-CE 4.4Å; W481-M484 HydrophobicContact CZ2-CE 4.21Å; W481-M484 HydrophobicContact CZ3-CE 4.22Å; W481-M484 WeakPolarHBondContact O-CB 3.47Å; W481-M484 WeakPolarHBondContact O-CE 3.21Å; W481-M484 PolarHBondContact O-N 2.78Å; W481-L485 WeakPolarHBondContact O-CG 3.5Å; W481-L485 PolarHBondContact O-N 2.75Å
482N94.4Very high91.1Very high68 Ų6869.8 Ų69.836%0.36435%0.352SS..Hα-helixtrans-62.6-42.5176.9-70.8-18.1000112.1L471 R478 D479 L485 A486L471-N482 WeakPolarHBondContact CD2-OD1 2.95Å; R478-N482 PolarHBondContact O-N 3.03Å; D479-N482 PolarHBondContact O-N 3.27Å; N482-L485 PolarHBondContact O-N 3.31Å; N482-A486 WeakPolarHBondContact O-CB 3.37Å; N482-A486 PolarHBondContact O-N 3.49Å
483E94.5Very high91.6Very high68 Ų6868.4 Ų68.432%0.31835%0.347SS..Hα-helixtrans-64.7-40.3177.1-171.4-179.9-179.500112D479 W481 L485 A486 Y487 I492 H494D479-E483 WeakPolarHBondContact O-CB 3.27Å; D479-E483 PolarHBondContact O-N 3.28Å; W481-E483 PolarHBondContact O-N 3.09Å; E483-L485 PolarHBondContact O-N 3.14Å; E483-A486 PolarHBondContact O-N 3.3Å; E483-Y487 HydrophobicContact CG-CD2 3.71Å; E483-Y487 HydrophobicContact CG-CE2 3.95Å; E483-Y487 WeakPolarHBondContact O-CD2 3.23Å; E483-Y487 PolarHBondContact O-N 2.98Å; E483-I492 HydrophobicContact CB-CG2 4.22Å; E483-I492 VanDerWaalsContact CD-CG2 3.47Å; E483-I492 HydrophobicContact CG-CD1 4.14Å; E483-I492 HydrophobicContact CG-CG1 4.1Å; E483-I492 HydrophobicContact CG-CG2 3.87Å; E483-I492 WeakPolarHBondContact OE2-CG2 3.49Å; E483-H494 IonicContact OE2-CD2 2.68Å; E483-H494 IonicContact OE2-CE1 2.94Å; E483-H494 IonicContact OE2-NE2 2.84Å; E483-H494 PolarHBondContact OE2-NE2 3.15Å
484M95.5Very high92Very high0 Ų071.5 Ų71.50%036%0.36CS..Hα-helixtrans-61-40.7173.5171.1-150.767.600112.3L371 M380 H480 W481 Y487 I492L371-M484 HydrophobicContact CB-CB 4.11Å; L371-M484 HydrophobicContact CB-CG 3.85Å; L371-M484 HydrophobicContact CB-SD 3.61Å; L371-M484 HydrophobicContact CD1-SD 4.05Å; L371-M484 HydrophobicContact CG-SD 4.34Å; M380-M484 HydrophobicContact CE-CE 3.48Å; M380-M484 VanDerWaalsContact CE-CE 3.48Å; M380-M484 HydrophobicContact CE-SD 3.41Å; M380-M484 WeakPolarHBondContact CE-SD 3.21Å; M380-M484 HydrophobicContact SD-CE 4.25Å; M380-M484 HydrophobicContact SD-SD 3.32Å; H480-M484 WeakPolarHBondContact O-CB 3.23Å; H480-M484 PolarHBondContact O-N 3.15Å; H480-M484 VanDerWaalsContact O-N 3.1Å; W481-M484 HydrophobicContact CD2-CE 3.62Å; W481-M484 HydrophobicContact CE3-CE 3.83Å; W481-M484 HydrophobicContact CE3-SD 4.4Å; W481-M484 HydrophobicContact CG-CE 4.04Å; W481-M484 HydrophobicContact CH2-CE 4.4Å; W481-M484 HydrophobicContact CZ2-CE 4.21Å; W481-M484 HydrophobicContact CZ3-CE 4.22Å; W481-M484 WeakPolarHBondContact O-CB 3.47Å; W481-M484 WeakPolarHBondContact O-CE 3.21Å; W481-M484 PolarHBondContact O-N 2.78Å; M484-Y487 CarbonylContact O-C 3.46Å; M484-I492 HydrophobicContact CB-CG1 4.49Å
485L93.4Very high92.6Very high32 Ų3266.1 Ų66.117%0.16833%0.332CS..Hα-helixtrans-70.5-37.1175.2-68.2177.8000112Y373 V443 W481 N482 E483 Y487 H488Y373-L485 HydrophobicContact CD1-CD2 4.19Å; V443-L485 HydrophobicContact CG1-CD1 4.44Å; V443-L485 HydrophobicContact CG1-CD2 3.88Å; V443-L485 HydrophobicContact CG2-CD2 4.36Å; W481-L485 WeakPolarHBondContact O-CG 3.5Å; W481-L485 PolarHBondContact O-N 2.75Å; N482-L485 PolarHBondContact O-N 3.31Å; E483-L485 PolarHBondContact O-N 3.14Å; L485-Y487 VanDerWaalsContact C-N 3.33Å; L485-Y487 PolarHBondContact O-N 3.42Å; L485-H488 PolarHBondContact O-CE1 3.48Å; L485-H488 PolarHBondContact O-ND1 2.99Å; L485-H488 PolarHBondContact O-NE2 2.85Å
486A93.8Very high92.8Very high69 Ų6964.4 Ų64.457%0.5731%0.313SS*.Hα-helixtrans-64.1-38.3174.900000112.2N482 E483N482-A486 WeakPolarHBondContact O-CB 3.37Å; N482-A486 PolarHBondContact O-N 3.49Å; E483-A486 PolarHBondContact O-N 3.3Å
487Y92.6Very high92.9Very high120 Ų12062.6 Ų62.647%0.47131%0.307SS..THydrogen-bonded Turntrans-112.857.3-174.9-61.5-60000113.6E483 M484 L485 R489 K490 I492E483-Y487 HydrophobicContact CG-CD2 3.71Å; E483-Y487 HydrophobicContact CG-CE2 3.95Å; E483-Y487 WeakPolarHBondContact O-CD2 3.23Å; E483-Y487 PolarHBondContact O-N 2.98Å; M484-Y487 CarbonylContact O-C 3.46Å; L485-Y487 VanDerWaalsContact C-N 3.33Å; L485-Y487 PolarHBondContact O-N 3.42Å; Y487-R489 PolarHBondContact O-N 3.14Å; Y487-K490 WeakPolarHBondContact O-CB 3.32Å; Y487-K490 PolarHBondContact O-N 2.9Å; Y487-I492 HydrophobicContact CD2-CD1 4.11Å; Y487-I492 HydrophobicContact CG-CD1 4.48Å
488H89.1Confident93Very high97 Ų9762.8 Ų62.845%0.44931%0.307SS..THydrogen-bonded Turntrans-35.9136.7170.1-61108.3000114P375 L485 K490P375-H488 WeakPolarHBondContact CG-CD2 3.45Å; L485-H488 PolarHBondContact O-CE1 3.48Å; L485-H488 PolarHBondContact O-ND1 2.99Å; L485-H488 PolarHBondContact O-NE2 2.85Å; H488-K490 PolarHBondContact O-N 3.29Å; H488-K490 VanDerWaalsContact O-N 3.11Å
489R90.4Very high92.7Very high163 Ų16361.7 Ų61.762%0.61531%0.31SS*.THydrogen-bonded Turntrans65.4-4.1-179.8-42.5-178175.6-177.9-3.3116C372 Y373 L374 T376 Y487C372-R489 VanDerWaalsContact SG-C 3.55Å; Y373-R489 PolarHBondContact O-N 2.83Å; L374-R489 HydrophobicContact CG-CG 4.31Å; T376-R489 PolarHBondContact OG1-NH2 3.09Å; Y487-R489 PolarHBondContact O-N 3.14Å
490K93Very high92.3Very high127 Ų12761.9 Ų61.955%0.55231%0.308SS*.SBendtrans-93.9134.2169.8-62-172.5-177.7175.30110Y487 H488 I492Y487-K490 WeakPolarHBondContact O-CB 3.32Å; Y487-K490 PolarHBondContact O-N 2.9Å; H488-K490 PolarHBondContact O-N 3.29Å; H488-K490 VanDerWaalsContact O-N 3.11Å; K490-I492 HydrophobicContact CB-CD1 4.42Å; K490-I492 PolarHBondContact O-N 3.03Å
491P95.5Very high91.1Very high85 Ų8565.7 Ų65.755%0.55233%0.328SS*.  trans-75.1108.4169.230.1-31.3000109.8L371 C372L371-P491 WeakPolarHBondContact O-CA 3.28Å; C372-P491 HydrophobicContact CB-CB 4.27Å
492I97Very high89Confident17 Ų1771.2 Ų71.29%0.08736%0.364CS..EExtended strand (participates in β ladder)trans-82.8139.3170.4-54.8-53.3000107.8S370 L371 H480 E483 M484 Y487 K490S370-I492 CarbonylContact C-O 3.57Å; S370-I492 WeakPolarHBondContact CA-O 3.45Å; S370-I492 VanDerWaalsContact CB-O 3.22Å; S370-I492 WeakPolarHBondContact CB-O 3.47Å; L371-I492 PolarHBondContact N-O 3.24Å; L371-I492 PolarHBondContact O-N 3.4Å; H480-I492 PolarHBondContact NE2-O 3.22Å; E483-I492 HydrophobicContact CB-CG2 4.22Å; E483-I492 VanDerWaalsContact CD-CG2 3.47Å; E483-I492 HydrophobicContact CG-CD1 4.14Å; E483-I492 HydrophobicContact CG-CG1 4.1Å; E483-I492 HydrophobicContact CG-CG2 3.87Å; E483-I492 WeakPolarHBondContact OE2-CG2 3.49Å; M484-I492 HydrophobicContact CB-CG1 4.49Å; Y487-I492 HydrophobicContact CD2-CD1 4.11Å; Y487-I492 HydrophobicContact CG-CD1 4.48Å; K490-I492 HydrophobicContact CB-CD1 4.42Å; K490-I492 PolarHBondContact O-N 3.03Å
493T96.4Very high86.6Confident63 Ų6372 Ų7239%0.38739%0.388SS..EExtended strand (participates in β ladder)trans-134.1124.4-174.3-57.30000110.7M368 S370 I385M368-T493 HydrophobicContact CG-CG2 3.77Å; M368-T493 HydrophobicContact SD-CG2 3.93Å; S370-T493 WeakPolarHBondContact CB-OG1 3.38Å; I385-T493 HydrophobicContact CD1-CG2 3.56Å
494H92.3Very high83.9Confident73 Ų7376.3 Ų76.334%0.33840%0.401SS..EExtended strand (participates in β ladder)trans-136157.6179.4-78.1-61.1000112.6M368 F369 H480 E483M368-H494 WeakPolarHBondContact CA-O 3.5Å; F369-H494 PolarHBondContact N-O 3.04Å; F369-H494 PolarHBondContact O-N 3.16Å; H480-H494 AromaticContact CD2-CD2 3.56Å; H480-H494 AromaticContact CG-CD2 3.74Å; E483-H494 IonicContact OE2-CD2 2.68Å; E483-H494 IonicContact OE2-CE1 2.94Å; E483-H494 IonicContact OE2-NE2 2.84Å; E483-H494 PolarHBondContact OE2-NE2 3.15Å
495W91.8Very high80.9Confident67 Ų6780.6 Ų80.625%0.25444%0.437SS..EExtended strand (participates in β ladder)trans-85140.8163.1-75.8108000109.7E366 M368 K386 R388E366-W495 HydrophobicContact CB-CE3 3.8Å; E366-W495 HydrophobicContact CB-CZ3 4.15Å; M368-W495 HydrophobicContact CB-CD2 3.95Å; M368-W495 HydrophobicContact CB-CE3 3.69Å; M368-W495 HydrophobicContact CB-CH2 4.15Å; M368-W495 HydrophobicContact CB-CZ2 4.41Å; M368-W495 HydrophobicContact CB-CZ3 3.78Å; M368-W495 HydrophobicContact CE-CD2 4.03Å; M368-W495 HydrophobicContact CE-CG 4.48Å; M368-W495 HydrophobicContact CE-CH2 4.26Å; M368-W495 HydrophobicContact CE-CZ2 3.5Å; M368-W495 VanDerWaalsContact CE-CZ2 3.5Å; K386-W495 HydrophobicContact CD-CH2 4.29Å; K386-W495 HydrophobicContact CG-CH2 4.04Å; R388-W495 HydrophobicContact CB-CH2 4.09Å; R388-W495 HydrophobicContact CB-CZ3 4.37Å; R388-W495 HydrophobicContact CG-CH2 3.64Å; R388-W495 HydrophobicContact CG-CZ2 4.44Å; R388-W495 HydrophobicContact CG-CZ3 3.7Å
496H90.8Very high78Confident5 Ų584.2 Ų84.22%0.02346%0.46CS..EExtended strand (participates in β ladder)trans-129126.5174.9-71.9-103.4000108.6E366 I367 F369 C467 L476 H480E366-H496 WeakPolarHBondContact CA-O 3.43Å; I367-H496 HydrophobicContact CG2-CB 4.1Å; I367-H496 PolarHBondContact N-O 3.35Å; I367-H496 PolarHBondContact O-N 3.17Å; F369-H496 HydrophobicContact CE1-CB 3.94Å; F369-H496 AromaticContact CE1-CD2 3.37Å; F369-H496 WeakPolarHBondContact CE1-CD2 3.22Å; F369-H496 AromaticContact CE1-CG 3.55Å; F369-H496 AromaticContact CZ-CD2 3.51Å; F369-H496 AromaticContact CZ-CG 3.8Å; F369-H496 AromaticContact CZ-NE2 3.72Å; C467-H496 HydrophobicContact CB-CB 4.18Å; L476-H496 PolarHBondContact O-CE1 2.87Å; H480-H496 AromaticContact CE1-NE2 3.98Å; H480-H496 AromaticContact CG-NE2 3.74Å; H480-H496 AromaticContact ND1-CD2 3.94Å; H480-H496 AromaticContact ND1-CE1 3.75Å; H480-H496 AromaticContact ND1-NE2 3.03Å; H480-H496 PolarHBondContact ND1-NE2 3.47Å
497P87.8Confident75.1Confident63 Ų6384 Ų8441%0.40946%0.455SS..EExtended strand (participates in β ladder)trans-64.8146.9169.629.4-33.8000109.9
498L90.8Very high72.2Confident8 Ų887.5 Ų87.54%0.04247%0.473CS..  trans-89.7131.4173.5-62.3173000109.2L364 G365 I367 L390 V452L364-L498 HydrophobicContact CB-CB 3.83Å; G365-L498 VanDerWaalsContact O-CB 3.29Å; G365-L498 WeakPolarHBondContact O-CB 3.44Å; G365-L498 WeakPolarHBondContact O-CG 3.48Å; G365-L498 PolarHBondContact O-N 3Å; I367-L498 HydrophobicContact CB-CD2 4.21Å; I367-L498 HydrophobicContact CG2-CD2 3.68Å; I367-L498 HydrophobicContact CG2-CG 4.45Å; L390-L498 HydrophobicContact CD2-CD1 3.44Å; L390-L498 VanDerWaalsContact CD2-CD1 3.44Å; V452-L498 HydrophobicContact CB-CD1 4.02Å; V452-L498 HydrophobicContact CB-CD2 4.45Å; V452-L498 HydrophobicContact CG2-CD1 3.68Å; V452-L498 HydrophobicContact CG2-CD2 3.62Å; V452-L498 HydrophobicContact CG2-CG 4.32Å
499L87Confident69.4Low91 Ų9190.3 Ų90.348%0.47649%0.491SS..BIsolated β-bridgetrans-109.1158.5177.7-56.4176.8000109.9G465 V466G465-L499 CarbonylContact C-O 3.55Å; G465-L499 VanDerWaalsContact CA-O 3.31Å; G465-L499 WeakPolarHBondContact CA-O 3.39Å; V466-L499 PolarHBondContact N-O 3.17Å; V466-L499 PolarHBondContact O-N 3.02Å
500E82.6Confident66.8Low82 Ų8287.9 Ų87.938%0.38350%0.499SS..  trans-67.6151172.7-61.7-163.8151.500110.5T359 L364 K391 P502T359-E500 HydrophobicContact CG2-CB 3.65Å; T359-E500 HydrophobicContact CG2-CG 3.81Å; T359-E500 WeakPolarHBondContact CG2-OE2 3.36Å; L364-E500 HydrophobicContact CD1-CB 4.43Å; L364-E500 HydrophobicContact CD1-CG 3.68Å; L364-E500 HydrophobicContact CD2-CG 4.42Å; K391-E500 IonicContact NZ-OE1 2.74Å; E500-P502 WeakPolarHBondContact O-CD 3.38Å
501L70.1Confident64Low82 Ų8291 Ų9143%0.42952%0.516SS..  trans-69.2115.6-178.4178.671.8000110.2V466 G503V466-L501 HydrophobicContact CG1-CB 4.36Å; V466-L501 HydrophobicContact CG1-CD1 3.96Å; V466-L501 HydrophobicContact CG2-CD1 4.35Å; L501-G503 PolarHBondContact O-N 3.26Å
502P51Low61Low116 Ų11690 Ų9075%0.75352%0.521SS*.THydrogen-bonded Turntrans-66.1124.5177.3-1832.6000110.1E500E500-P502 WeakPolarHBondContact O-CD 3.38Å
503G43.8Very low58Low85 Ų8594.9 Ų94.988%0.87656%0.557SS**THydrogen-bonded Turntrans96.934.4169.600000117.3L501L501-G503 PolarHBondContact O-N 3.26Å
504R37.8Very low55.2Low157 Ų15797.7 Ų97.759%0.59258%0.578SS**  trans-125.271.7162.8-159.6179.9-175.4-178.11.1112.7S507R504-S507 PolarHBondContact NE-OG 3.23Å; R504-S507 PolarHBondContact NH2-OG 3.33Å
505A31.6Very low52.5Low90 Ų90100 Ų10074%0.74460%0.599SS**SBendtrans-54137.1141.300000108.1S507A505-S507 PolarHBondContact O-N 2.68Å
506T33Very low50Low108 Ų108102.2 Ų102.266%0.66363%0.625SS**  trans3107.8168.9540000116.6F263 F508F263-T506 HydrophobicContact CZ-CG2 4.12Å; T506-F508 PolarHBondContact O-N 3.05Å
507S32.1Very low47.6Very low66 Ų66108 Ų10846%0.46266%0.663SS.*  trans-74.1103.817055.10000111.6R504 A505R504-S507 PolarHBondContact NE-OG 3.23Å; R504-S507 PolarHBondContact NH2-OG 3.33Å; A505-S507 PolarHBondContact O-N 2.68Å
508F33.1Very low45.5Very low192 Ų192114.5 Ų114.584%0.84269%0.685SS**  trans-129.3106.2134.3-100.2-88000107.2T506T506-F508 PolarHBondContact O-N 3.05Å
509D30.6Very low43.6Very low156 Ų156119.5 Ų119.583%0.83472%0.718SS**  trans-154.8112.3149.8-113.8-24000110.4Q511D509-Q511 PolarHBondContact O-N 3.19Å
510S35.7Very low41.7Very low112 Ų112121 Ų12178%0.78373%0.733SS**  trans-74.497.9170.7-64.10000108G512S510-G512 PolarHBondContact O-N 3.41Å
511Q34Very low39.9Very low192 Ų192122.8 Ų122.890%0.89775%0.754SS**  trans-69.982.7170-75.5-158.9-14.400111D509D509-Q511 PolarHBondContact O-N 3.19Å
512G32.4Very low38.9Very low65 Ų65125.1 Ų125.167%0.6777%0.772SS**  trans-77.4122159.800000110.3S510S510-G512 PolarHBondContact O-N 3.41Å
513S33.1Very low39.1Very low119 Ų119129.1 Ų129.183%0.83280%0.798SS**  trans44102.7153.4-55.40000119
514C38Very low38.9Very low122 Ų122131.4 Ų131.482%0.82479%0.794SS**PPolyproline II helixtrans-60.6140.8161.5-54.50000111.5
515P35.6Very low39Very low123 Ų123130 Ų13080%0.79981%0.805SS**PPolyproline II helixtrans-76.5142167.731.7-33.2000111.2
516S38.5Very low39.4Very low112 Ų112132.2 Ų132.278%0.78381%0.808SS**PPolyproline II helixtrans-63.6146.6176.4-57.70000112.4
517P42.3Very low39.8Very low126 Ų126133.6 Ų133.682%0.81882%0.817SS**PPolyproline II helixtrans-67.9137.4176.126.6-31.6000111.4
518K43.8Very low40.2Very low201 Ų201137.9 Ų137.987%0.87484%0.839SS**PPolyproline II helixtrans-70142.1170.5-70.5-179.3177.5178.50110
519P49.2Very low40.7Very low113 Ų113134.3 Ų134.373%0.73484%0.839SS**PPolyproline II helixtrans-67.4154.3170.830-34.6000111
520P47.8Very low41.4Very low123 Ų123132.7 Ų132.780%0.79984%0.839SS**PPolyproline II helixtrans-69.3147.1179.329.6-35.1000111.7T522P520-T522 PolarHBondContact O-N 3.37Å
521S45.5Very low41.9Very low119 Ų119134.3 Ų134.383%0.83284%0.843SS**  trans-70.4116167.949.30000110.4
522T47.8Very low42.5Very low131 Ų131129.5 Ų129.580%0.80484%0.839SS**  trans-62.1156.516128.40000111.4P520P520-T522 PolarHBondContact O-N 3.37Å
523P56.5Low43.5Very low200 Ų200135.4 Ų135.4100%1.29985%0.854SS**  trans-68.50-164.629.3-37.8000115

Retrieved 523 of 523 residues in 81.9 ms (Link to these results)