A0A077ZEN6_TRITR Loading...

WD40 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZEN6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 319 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M35.7Very low38.9Very low246 Ų246137.5 Ų137.5100%1.21268%0.678SS**  0110.30-77.5-179.2-128.300108.1
2L35.6Very low39.3Very low140 Ų140129.8 Ų129.873%0.73365%0.653SS**  trans-78.6141166.2-79.6163.1000108.1
3P38.5Very low39.2Very low95 Ų95128.2 Ų128.262%0.61765%0.647SS**  trans-64139.6-174.223.4-30.9000111.2G5 V6P3-G5 PolarHBondContact O-N 3.31Å; P3-V6 PolarHBondContact O-N 2.62Å
4F43Very low39.6Very low204 Ų204125.9 Ų125.990%0.89563%0.633SS**THydrogen-bonded Turntrans-49.9-3.7179.7-98.9-96.9000116.1
5G37.1Very low39.8Very low44 Ų44126.7 Ų126.745%0.45463%0.634SS.*Hα-helixtrans-87.5-20.6178.600000116P3 R9P3-G5 PolarHBondContact O-N 3.31Å; G5-R9 PolarHBondContact O-N 2.72Å
6V38.4Very low39.7Very low68 Ų68123.8 Ų123.841%0.41263%0.625SS.*Hα-helixtrans-73.7-34.9-177-176.40000111.5P3 R8 R9 L10P3-V6 PolarHBondContact O-N 2.62Å; V6-R8 PolarHBondContact O-N 3.23Å; V6-R9 PolarHBondContact O-N 2.84Å; V6-L10 HydrophobicContact CG1-CD1 4.27Å; V6-L10 PolarHBondContact O-N 3.42Å
7H40Very low39.5Very low159 Ų159120.4 Ų120.474%0.73661%0.608SS**Hα-helixtrans-65.4-36.8175.1-91.5-65.1000113.3L10 S11H7-L10 PolarHBondContact O-N 2.99Å; H7-S11 PolarHBondContact O-N 3.48Å
8R40.7Very low39.6Very low204 Ų204119.4 Ų119.477%0.7760%0.601SS**Hα-helixtrans-68-36.1174.7-83.8-173178.4179.60.1112.4V6 A12V6-R8 PolarHBondContact O-N 3.23Å; R8-A12 VanDerWaalsContact O-CB 3.27Å; R8-A12 WeakPolarHBondContact O-CB 3.4Å; R8-A12 PolarHBondContact O-N 3.47Å
9R40.5Very low39.5Very low208 Ų208116.5 Ų116.579%0.78560%0.597SS**Hα-helixtrans-70.6-38.1175.9-79.7-175.2168.7-174.2-3.1112.2G5 V6 L13G5-R9 PolarHBondContact O-N 2.72Å; V6-R9 PolarHBondContact O-N 2.84Å; R9-L13 WeakPolarHBondContact O-CB 3.33Å; R9-L13 PolarHBondContact O-N 3.34Å
10L39.8Very low39.3Very low90 Ų90116.1 Ų116.147%0.47160%0.596SS.*Hα-helixtrans-65.4-44.4172.7-97.6153.5000112.2V6 H7 A12 L13 Q14V6-L10 HydrophobicContact CG1-CD1 4.27Å; V6-L10 PolarHBondContact O-N 3.42Å; H7-L10 PolarHBondContact O-N 2.99Å; L10-A12 PolarHBondContact O-N 2.9Å; L10-L13 PolarHBondContact O-N 3.46Å; L10-Q14 VanDerWaalsContact O-CB 3.27Å; L10-Q14 WeakPolarHBondContact O-CB 3Å; L10-Q14 PolarHBondContact O-N 2.85Å
11S39.1Very low39.2Very low54 Ų54113 Ų11338%0.37859%0.588SS.*Hα-helixtrans-68.5-34.1177.893.80000112.5H7 Q14 Q15H7-S11 PolarHBondContact O-N 3.48Å; S11-Q14 PolarHBondContact O-N 3.25Å; S11-Q15 WeakPolarHBondContact O-CB 3.4Å; S11-Q15 WeakPolarHBondContact O-CG 3.42Å; S11-Q15 PolarHBondContact O-N 3.41Å
12A42.7Very low39.1Very low46 Ų46105.6 Ų105.638%0.3857%0.566SS.*Hα-helixtrans-68.3-39.9173.400000111.7R8 L10 Q14 Q15 T16R8-A12 VanDerWaalsContact O-CB 3.27Å; R8-A12 WeakPolarHBondContact O-CB 3.4Å; R8-A12 PolarHBondContact O-N 3.47Å; L10-A12 PolarHBondContact O-N 2.9Å; A12-Q14 VanDerWaalsContact C-N 3.33Å; A12-Q15 PolarHBondContact O-N 3.28Å; A12-T16 WeakPolarHBondContact O-CB 3.45Å; A12-T16 PolarHBondContact O-N 3.05Å; A12-T16 PolarHBondContact O-OG1 3.4Å
13L39Very low38.9Very low108 Ų108102.8 Ų102.857%0.56556%0.558SS**Hα-helixtrans-62.4-43.1172.6-155.789.9000110.4R9 L10 T16 L17R9-L13 WeakPolarHBondContact O-CB 3.33Å; R9-L13 PolarHBondContact O-N 3.34Å; L10-L13 PolarHBondContact O-N 3.46Å; L13-T16 PolarHBondContact O-N 3.46Å; L13-L17 HydrophobicContact CD2-CD1 4.12Å; L13-L17 HydrophobicContact CG-CD1 4.16Å; L13-L17 VanDerWaalsContact O-CB 3.29Å; L13-L17 WeakPolarHBondContact O-CB 3.43Å; L13-L17 WeakPolarHBondContact O-CD1 3.39Å; L13-L17 WeakPolarHBondContact O-CG 3.43Å; L13-L17 PolarHBondContact O-N 3.41Å
14Q44.3Very low38.6Very low97 Ų97102.7 Ų102.745%0.45356%0.555SS.*Hα-helixtrans-63.9-44.4178-158.6171.74.200111.5L10 S11 A12 L17 H18L10-Q14 VanDerWaalsContact O-CB 3.27Å; L10-Q14 WeakPolarHBondContact O-CB 3Å; L10-Q14 PolarHBondContact O-N 2.85Å; S11-Q14 PolarHBondContact O-N 3.25Å; A12-Q14 VanDerWaalsContact C-N 3.33Å; Q14-L17 PolarHBondContact O-N 3.49Å; Q14-H18 WeakPolarHBondContact O-CB 3.26Å; Q14-H18 PolarHBondContact O-CD2 2.84Å; Q14-H18 PolarHBondContact O-N 3.24Å
15Q42.3Very low38.1Very low138 Ų13898 Ų9865%0.64554%0.538SS*.Hα-helixtrans-66-37.7174.5-77.4178.6-17.800112.9S11 A12 H18 A19S11-Q15 WeakPolarHBondContact O-CB 3.4Å; S11-Q15 WeakPolarHBondContact O-CG 3.42Å; S11-Q15 PolarHBondContact O-N 3.41Å; A12-Q15 PolarHBondContact O-N 3.28Å; Q15-H18 PolarHBondContact O-N 2.7Å; Q15-A19 WeakPolarHBondContact O-CB 3.27Å; Q15-A19 PolarHBondContact O-N 3.48Å
16T38.8Very low37.8Very low80 Ų8099.1 Ų99.149%0.49154%0.54SS..Hα-helixtrans-68.7-37.7176-50.60000111A12 L13 A19 N20A12-T16 WeakPolarHBondContact O-CB 3.45Å; A12-T16 PolarHBondContact O-N 3.05Å; A12-T16 PolarHBondContact O-OG1 3.4Å; L13-T16 PolarHBondContact O-N 3.46Å; T16-A19 PolarHBondContact O-N 2.99Å; T16-N20 WeakPolarHBondContact O-CB 3.43Å; T16-N20 VanDerWaalsContact O-CG 3.28Å; T16-N20 PolarHBondContact O-N 3.31Å; T16-N20 PolarHBondContact O-ND2 3.26Å
17L36.6Very low37.6Very low65 Ų65102.7 Ų102.734%0.3456%0.557SS.*Hα-helixtrans-67.5-38.7172.5-73.7164000111.5L13 Q14 N20 A21 N295L13-L17 HydrophobicContact CD2-CD1 4.12Å; L13-L17 HydrophobicContact CG-CD1 4.16Å; L13-L17 VanDerWaalsContact O-CB 3.29Å; L13-L17 WeakPolarHBondContact O-CB 3.43Å; L13-L17 WeakPolarHBondContact O-CD1 3.39Å; L13-L17 WeakPolarHBondContact O-CG 3.43Å; L13-L17 PolarHBondContact O-N 3.41Å; Q14-L17 PolarHBondContact O-N 3.49Å; L17-N20 PolarHBondContact O-N 2.83Å; L17-A21 WeakPolarHBondContact O-CB 3.25Å; L17-A21 PolarHBondContact O-N 3.36Å; L17-N295 WeakPolarHBondContact CD1-ND2 3.08Å
18H40.9Very low37.6Very low104 Ų104102.3 Ų102.348%0.48156%0.56SS.*Hα-helixtrans-65.5-40.1173.5-81.7-68.2000112.6Q14 Q15 A22Q14-H18 WeakPolarHBondContact O-CB 3.26Å; Q14-H18 PolarHBondContact O-CD2 2.84Å; Q14-H18 PolarHBondContact O-N 3.24Å; Q15-H18 PolarHBondContact O-N 2.7Å; H18-A22 WeakPolarHBondContact O-CB 3.34Å; H18-A22 PolarHBondContact O-N 3.33Å
19A36.8Very low37.5Very low64 Ų64100.6 Ų100.653%0.52955%0.553SS.*Hα-helixtrans-69.9-35.2177.200000112.6Q15 T16Q15-A19 WeakPolarHBondContact O-CB 3.27Å; Q15-A19 PolarHBondContact O-N 3.48Å; T16-A19 PolarHBondContact O-N 2.99Å
20N36.4Very low37.7Very low107 Ų10795.9 Ų95.957%0.57255%0.547SS*.Hα-helixtrans-82.6-30.6178.6-69.8-21.1000113.1T16 L17 A22 S23T16-N20 WeakPolarHBondContact O-CB 3.43Å; T16-N20 VanDerWaalsContact O-CG 3.28Å; T16-N20 PolarHBondContact O-N 3.31Å; T16-N20 PolarHBondContact O-ND2 3.26Å; L17-N20 PolarHBondContact O-N 2.83Å; N20-A22 VanDerWaalsContact C-N 3.31Å; N20-S23 PolarHBondContact O-N 2.9Å; N20-S23 PolarHBondContact O-OG 2.84Å
21A36.7Very low37.8Very low53 Ų5394.3 Ų94.344%0.43854%0.539SS..Hα-helixtrans-72.7-23.3174.100000112.9L17 S23 I25L17-A21 WeakPolarHBondContact O-CB 3.25Å; L17-A21 PolarHBondContact O-N 3.36Å; A21-S23 VanDerWaalsContact C-N 3.27Å; A21-S23 PolarHBondContact O-N 2.82Å; A21-I25 VanDerWaalsContact O-CD1 3.27Å; A21-I25 WeakPolarHBondContact O-CD1 3.1Å
22A34Very low37.9Very low89 Ų8997.2 Ų97.274%0.73655%0.55SS**THydrogen-bonded Turntrans-78.8-3.2176.600000114.3H18 N20H18-A22 WeakPolarHBondContact O-CB 3.34Å; H18-A22 PolarHBondContact O-N 3.33Å; N20-A22 VanDerWaalsContact C-N 3.31Å
23S31.3Very low38Very low82 Ų8296.2 Ų96.257%0.57354%0.539SS*.SBendtrans-119.1-8.6-171.357.60000117.2N20 A21N20-S23 PolarHBondContact O-N 2.9Å; N20-S23 PolarHBondContact O-OG 2.84Å; A21-S23 VanDerWaalsContact C-N 3.27Å; A21-S23 PolarHBondContact O-N 2.82Å
24V32Very low38.1Very low92 Ų9295 Ų9556%0.55854%0.537SS*.  trans-153.675.2176.7-168.60000111.3
25I32.1Very low37.9Very low105 Ų10599.2 Ų99.254%0.53856%0.557SS.*  trans-123.584.2167.4-55.7177.7000107.5A21A21-I25 VanDerWaalsContact O-CD1 3.27Å; A21-I25 WeakPolarHBondContact O-CD1 3.1Å
26S32.4Very low38Very low69 Ų6993.3 Ų93.348%0.48353%0.529SS..  trans-80.3118.3153.561.30000106.6D28 R29S26-D28 PolarHBondContact O-N 2.93Å; S26-R29 PolarHBondContact OG-NE 3.3Å
27N34Very low38.1Very low143 Ų14395.5 Ų95.577%0.76554%0.538SS*.SBendtrans-44.7133.3165.9-63.4-31.2000109.3
28D38.9Very low38.5Very low150 Ų15096.3 Ų96.380%0.80254%0.539SS*.  trans72.562.9172.9-54.9-32.7000118.8S26 V30S26-D28 PolarHBondContact O-N 2.93Å; D28-V30 PolarHBondContact O-N 3.48Å
29R39.7Very low38.9Very low168 Ų16898.5 Ų98.563%0.63455%0.55SS*.  trans-84.781.9157.4-67.7-170.3179.8-166.4-2110.4S26S26-R29 PolarHBondContact OG-NE 3.3Å
30V43.9Very low39.6Very low109 Ų109100.3 Ų100.366%0.66155%0.547SS*.  trans-63.5130.4165.9-178.20000107.9D28 D32D28-V30 PolarHBondContact O-N 3.48Å; V30-D32 PolarHBondContact O-N 3.01Å; V30-D32 VanDerWaalsContact O-N 3.14Å
31L42.9Very low40.7Very low57 Ų5795.6 Ų95.630%0.29852%0.521SS..  trans-64.2110.3166.3-112.8156.9000105.9I33 I307L31-I33 HydrophobicContact CB-CD1 4.16Å; L31-I33 HydrophobicContact CB-CG1 4.06Å; L31-I33 HydrophobicContact CD2-CD1 4.36Å; L31-I33 HydrophobicContact CD2-CG1 4.13Å; L31-I33 PolarHBondContact O-N 2.94Å; L31-I307 HydrophobicContact CD1-CD1 4.01Å; L31-I307 HydrophobicContact CG-CD1 4.35Å
32D40.7Very low42.6Very low115 Ų11595.1 Ų95.162%0.61551%0.511SS*.  trans-75.469.9180-153.85.9000108.7V30 P71V30-D32 PolarHBondContact O-N 3.01Å; V30-D32 VanDerWaalsContact O-N 3.14Å; D32-P71 HydrophobicContact CB-CB 4.32Å
33I44.7Very low44.6Very low26 Ų2691.9 Ų91.913%0.13348%0.481CS..  trans-88.1117.8170.3-50.8171.2000104.1L31 E35 L36 L52 A73L31-I33 HydrophobicContact CB-CD1 4.16Å; L31-I33 HydrophobicContact CB-CG1 4.06Å; L31-I33 HydrophobicContact CD2-CD1 4.36Å; L31-I33 HydrophobicContact CD2-CG1 4.13Å; L31-I33 PolarHBondContact O-N 2.94Å; I33-E35 PolarHBondContact O-N 3.48Å; I33-L36 HydrophobicContact CB-CD1 4.39Å; I33-L36 HydrophobicContact CG2-CD1 3.41Å; I33-L36 VanDerWaalsContact CG2-CD1 3.41Å; I33-L36 HydrophobicContact CG2-CD2 3.91Å; I33-L36 HydrophobicContact CG2-CG 3.56Å; I33-L52 HydrophobicContact CD1-CD2 4.21Å; I33-A73 HydrophobicContact CG1-CB 4.36Å
34P40.7Very low47.1Very low83 Ų8388.2 Ų88.254%0.53946%0.455SS..  trans-50.3133.4-17718.8-30.1000108.5L36P34-L36 VanDerWaalsContact C-N 3.25Å; P34-L36 WeakPolarHBondContact O-CA 3.4Å; P34-L36 WeakPolarHBondContact O-CG 3.17Å; P34-L36 PolarHBondContact O-N 3Å
35E41.3Very low49.6Very low185 Ų18585.5 Ų85.586%0.86444%0.437SS*.  trans-30.892.1-175.2-76.1-176.6156.600109.8I33 D37 F38I33-E35 PolarHBondContact O-N 3.48Å; E35-D37 PolarHBondContact O-N 3.5Å; E35-F38 HydrophobicContact CB-CE2 3.98Å; E35-F38 HydrophobicContact CG-CE2 4.13Å
36L43.9Very low52.2Low13 Ų1381 Ų817%0.06841%0.414CS..  trans-73.6131.3177.6-68.1179.2000103.1I33 P34 F38 Y64I33-L36 HydrophobicContact CB-CD1 4.39Å; I33-L36 HydrophobicContact CG2-CD1 3.41Å; I33-L36 VanDerWaalsContact CG2-CD1 3.41Å; I33-L36 HydrophobicContact CG2-CD2 3.91Å; I33-L36 HydrophobicContact CG2-CG 3.56Å; P34-L36 VanDerWaalsContact C-N 3.25Å; P34-L36 WeakPolarHBondContact O-CA 3.4Å; P34-L36 WeakPolarHBondContact O-CG 3.17Å; P34-L36 PolarHBondContact O-N 3Å; L36-F38 VanDerWaalsContact C-N 3.32Å; L36-F38 HydrophobicContact CB-CD1 4.49Å; L36-F38 HydrophobicContact CB-CE1 4.26Å; L36-F38 VanDerWaalsContact O-CA 3.28Å; L36-F38 WeakPolarHBondContact O-CA 3.27Å; L36-F38 WeakPolarHBondContact O-CD1 3.34Å; L36-F38 WeakPolarHBondContact O-CD2 3.27Å; L36-F38 VanDerWaalsContact O-CE2 3.24Å; L36-F38 WeakPolarHBondContact O-CE2 2.88Å; L36-F38 WeakPolarHBondContact O-CG 3.35Å; L36-F38 PolarHBondContact O-N 3.3Å; L36-Y64 HydrophobicContact CD2-CE1 4.48Å; L36-Y64 WeakPolarHBondContact CD2-OH 3.29Å
37D40.2Very low54.7Low126 Ų12680.7 Ų80.767%0.67441%0.411SS*.  trans-46.4104.8169.2-86.9-43.1000108.1E35 E39E35-D37 PolarHBondContact O-N 3.5Å; D37-E39 PolarHBondContact O-N 3.25Å
38F46.3Very low57.1Low83 Ų8377.2 Ų77.236%0.36440%0.395SS..  trans-84.98.1-157.5-75.1-71.7000111.8E35 L36 E40 F41 Y300E35-F38 HydrophobicContact CB-CE2 3.98Å; E35-F38 HydrophobicContact CG-CE2 4.13Å; L36-F38 VanDerWaalsContact C-N 3.32Å; L36-F38 HydrophobicContact CB-CD1 4.49Å; L36-F38 HydrophobicContact CB-CE1 4.26Å; L36-F38 VanDerWaalsContact O-CA 3.28Å; L36-F38 WeakPolarHBondContact O-CA 3.27Å; L36-F38 WeakPolarHBondContact O-CD1 3.34Å; L36-F38 WeakPolarHBondContact O-CD2 3.27Å; L36-F38 VanDerWaalsContact O-CE2 3.24Å; L36-F38 WeakPolarHBondContact O-CE2 2.88Å; L36-F38 WeakPolarHBondContact O-CG 3.35Å; L36-F38 PolarHBondContact O-N 3.3Å; F38-E40 PolarHBondContact O-N 2.75Å; F38-F41 AromaticContact CD1-CE1 3.84Å; F38-F41 HydrophobicContact CD1-CE1 3.84Å; F38-F41 HydrophobicContact CD1-CZ 4.5Å; F38-Y300 PolarHBondContact O-OH 2.78Å
39E47.6Very low59Low149 Ų14971.6 Ų71.670%0.69637%0.373SS*.SBendtrans-79.8111.9176.5-62-171.4170.600108.1D37 S57D37-E39 PolarHBondContact O-N 3.25Å; E39-S57 WeakPolarHBondContact O-CB 3.48Å; E39-S57 PolarHBondContact O-OG 3.21Å
40E52.2Low61Low103 Ų10366.2 Ų66.248%0.48136%0.357SS..SBendtrans52.767.8165.9-56.3-172160.900115.7F38 S57 Y302F38-E40 PolarHBondContact O-N 2.75Å; E40-S57 PolarHBondContact O-N 3.24Å; E40-Y302 HydrophobicContact CG-CE1 3.71Å; E40-Y302 PolarHBondContact OE1-OH 2.78Å
41F59.4Low62.9Low7 Ų762.1 Ų62.13%0.03133%0.331CS..  trans-108.1143.8169.372.7-84.5000114F38 I43 A55 Y300F38-F41 AromaticContact CD1-CE1 3.84Å; F38-F41 HydrophobicContact CD1-CE1 3.84Å; F38-F41 HydrophobicContact CD1-CZ 4.5Å; F41-I43 HydrophobicContact CD2-CG2 3.46Å; F41-I43 VanDerWaalsContact CD2-CG2 3.46Å; F41-I43 HydrophobicContact CE2-CG2 3.43Å; F41-I43 VanDerWaalsContact CE2-CG2 3.43Å; F41-A55 CarbonylContact C-O 3.57Å; F41-A55 WeakPolarHBondContact CA-O 3.35Å; F41-A55 WeakPolarHBondContact CB-O 3.31Å; F41-Y300 HydrophobicContact CD1-CE1 4.26Å; F41-Y300 AromaticContact CD1-CE2 3.96Å; F41-Y300 HydrophobicContact CD1-CE2 3.96Å; F41-Y300 AromaticContact CD1-CZ 3.58Å; F41-Y300 VanDerWaalsContact CD1-OH 3.25Å; F41-Y300 WeakPolarHBondContact CD1-OH 3.33Å; F41-Y300 AromaticContact CE1-CD2 3.89Å; F41-Y300 HydrophobicContact CE1-CD2 3.89Å; F41-Y300 HydrophobicContact CE1-CE1 4.07Å; F41-Y300 AromaticContact CE1-CE2 3.04Å; F41-Y300 HydrophobicContact CE1-CE2 3.04Å; F41-Y300 AromaticContact CE1-CZ 3.15Å; F41-Y300 WeakPolarHBondContact CE1-OH 3.34Å; F41-Y300 HydrophobicContact CE2-CD2 4.19Å; F41-Y300 HydrophobicContact CE2-CE2 4.1Å; F41-Y300 HydrophobicContact CE2-CG 4.49Å; F41-Y300 HydrophobicContact CZ-CD1 4.49Å; F41-Y300 AromaticContact CZ-CD2 3.45Å; F41-Y300 HydrophobicContact CZ-CD2 3.45Å; F41-Y300 VanDerWaalsContact CZ-CD2 3.45Å; F41-Y300 HydrophobicContact CZ-CE1 4.2Å; F41-Y300 AromaticContact CZ-CE2 3.13Å; F41-Y300 HydrophobicContact CZ-CE2 3.13Å; F41-Y300 HydrophobicContact CZ-CG 4.16Å; F41-Y300 AromaticContact CZ-CZ 3.56Å; F41-Y300 VanDerWaalsContact O-CE1 3.26Å; F41-Y300 WeakPolarHBondContact O-CE1 3.36Å
42M75.8Confident64.8Low44 Ų4460 Ų6022%0.21732%0.32CS..EExtended strand (participates in β ladder)trans-105.5138.7171-58.2176.1-71.100109.5C54 A55 P91 C93M42-C54 CarbonylContact O-C 3.59Å; M42-C54 VanDerWaalsContact O-CA 3.31Å; M42-C54 WeakPolarHBondContact O-CA 3.5Å; M42-A55 HydrophobicContact CB-CB 4.2Å; M42-A55 HydrophobicContact CE-CB 3.78Å; M42-A55 PolarHBondContact N-O 3.48Å; M42-A55 PolarHBondContact O-N 3.39Å; M42-P91 VanDerWaalsContact CE-C 3.42Å; M42-P91 HydrophobicContact CE-CB 3.67Å; M42-P91 HydrophobicContact CE-CG 3.76Å; M42-P91 WeakPolarHBondContact CE-O 3.34Å; M42-C93 WeakPolarHBondContact SD-CA 3.27Å
43I77.6Confident66.8Low20 Ų2054.5 Ų54.510%0.10329%0.29CS..EExtended strand (participates in β ladder)trans-117.7145.5179.254.4170.3000112.2F41 L52 L53 C54 R242 I289F41-I43 HydrophobicContact CD2-CG2 3.46Å; F41-I43 VanDerWaalsContact CD2-CG2 3.46Å; F41-I43 HydrophobicContact CE2-CG2 3.43Å; F41-I43 VanDerWaalsContact CE2-CG2 3.43Å; I43-L52 HydrophobicContact CB-CD1 4.07Å; I43-L52 HydrophobicContact CG2-CD1 4.34Å; I43-L53 CarbonylContact C-O 3.57Å; I43-L53 VanDerWaalsContact CA-O 3.3Å; I43-L53 WeakPolarHBondContact CA-O 3.3Å; I43-C54 HydrophobicContact CG2-CB 4.46Å; I43-R242 PolarHBondContact O-NH1 3Å; I43-I289 HydrophobicContact CD1-CD1 3.79Å; I43-I289 HydrophobicContact CG1-CD1 3.81Å
44D83.5Confident68.5Low6 Ų653.3 Ų53.33%0.03228%0.284CS..EExtended strand (participates in β ladder)trans-144.4148.2164.3-161.817.5000113.1L53 L94 Q95 W96 R242D44-L53 PolarHBondContact N-O 2.66Å; D44-L53 PolarHBondContact O-N 3.33Å; D44-L94 HydrophobicContact CB-CD2 4.03Å; D44-L94 HydrophobicContact CB-CG 4.25Å; D44-Q95 WeakPolarHBondContact OD2-CA 3.21Å; D44-W96 PolarHBondContact O-NE1 3.33Å; D44-W96 PolarHBondContact OD2-N 2.8Å; D44-R242 VanDerWaalsContact CA-NH1 3.35Å; D44-R242 VanDerWaalsContact CB-NH1 3.34Å; D44-R242 IonicContact OD1-CZ 3.76Å; D44-R242 IonicContact OD1-NH1 2.99Å; D44-R242 PolarHBondContact OD1-NH1 2.86Å; D44-R242 IonicContact OD1-NH2 3.71Å; D44-R242 PolarHBondContact OD1-NH2 3.49Å
45L83.8Confident70.3Confident35 Ų3549.4 Ų49.418%0.18326%0.259CS..EExtended strand (participates in β ladder)trans-102.8138.6176-70171.5000109.7L51 L52 L66 W96 I289 L298L45-L51 WeakPolarHBondContact CA-O 3.19Å; L45-L52 HydrophobicContact CD2-CB 4.02Å; L45-L52 HydrophobicContact CD2-CD1 3.76Å; L45-L52 HydrophobicContact CG-CD1 4.32Å; L45-L66 HydrophobicContact CD2-CD1 3.54Å; L45-W96 VanDerWaalsContact O-CD1 3.22Å; L45-I289 HydrophobicContact CD1-CG2 4.39Å; L45-L298 HydrophobicContact CD1-CD1 4.45Å
46D87.8Confident71.8Confident9 Ų940.8 Ų40.85%0.04822%0.219CC..  trans-69.6171.8175.284.7-41.6000112T48 G49 D50 L51 W96 N101D46-T48 PolarHBondContact O-N 3.34Å; D46-T48 PolarHBondContact OD1-N 2.83Å; D46-T48 PolarHBondContact OD1-OG1 2.97Å; D46-T48 WeakPolarHBondContact OD2-CB 3.39Å; D46-T48 WeakPolarHBondContact OD2-CG2 3.18Å; D46-T48 PolarHBondContact OD2-N 2.99Å; D46-T48 PolarHBondContact OD2-OG1 3.17Å; D46-G49 PolarHBondContact O-N 2.99Å; D46-G49 VanDerWaalsContact O-N 3.08Å; D46-G49 WeakPolarHBondContact OD1-CA 3.43Å; D46-G49 PolarHBondContact OD1-N 2.81Å; D46-D50 PolarHBondContact OD1-N 3.42Å; D46-L51 HydrophobicContact CB-CB 3.94Å; D46-L51 PolarHBondContact N-O 2.81Å; D46-L51 PolarHBondContact OD1-N 2.84Å; D46-W96 HydrophobicContact CB-CD2 3.66Å; D46-W96 HydrophobicContact CB-CE3 3.95Å; D46-W96 HydrophobicContact CB-CG 4.02Å; D46-W96 HydrophobicContact CB-CH2 4.38Å; D46-W96 HydrophobicContact CB-CZ2 4.11Å; D46-W96 HydrophobicContact CB-CZ3 4.31Å; D46-N101 HydrophobicContact CB-CB 4.24Å; D46-N101 VanDerWaalsContact OD2-CB 3.26Å; D46-N101 WeakPolarHBondContact OD2-CB 3.36Å
47C84.5Confident72.9Confident64 Ų6442.5 Ų42.543%0.43223%0.232SC..THydrogen-bonded Turntrans-65.3-19.4-178.363.70000113.9P98C47-P98 WeakPolarHBondContact CB-O 3.49Å
48T83.6Confident74.3Confident69 Ų6939.9 Ų39.942%0.42322%0.218SC..THydrogen-bonded Turntrans-85.7-24.9174.972.50000112.4D46 D50 N101D46-T48 PolarHBondContact O-N 3.34Å; D46-T48 PolarHBondContact OD1-N 2.83Å; D46-T48 PolarHBondContact OD1-OG1 2.97Å; D46-T48 WeakPolarHBondContact OD2-CB 3.39Å; D46-T48 WeakPolarHBondContact OD2-CG2 3.18Å; D46-T48 PolarHBondContact OD2-N 2.99Å; D46-T48 PolarHBondContact OD2-OG1 3.17Å; T48-D50 WeakPolarHBondContact OG1-CB 3.4Å; T48-D50 PolarHBondContact OG1-N 3.25Å; T48-D50 VanDerWaalsContact OG1-N 3.15Å; T48-N101 HydrophobicContact CG2-CB 4.48Å
49G79.9Confident75.7Confident32 Ų3236.5 Ų36.533%0.3321%0.205SC..SBendtrans76.98.2-171.100000113.5D46D46-G49 PolarHBondContact O-N 2.99Å; D46-G49 VanDerWaalsContact O-N 3.08Å; D46-G49 WeakPolarHBondContact OD1-CA 3.43Å; D46-G49 PolarHBondContact OD1-N 2.81Å
50D81.1Confident77.2Confident55 Ų5529.6 Ų29.629%0.29417%0.174SC..SBendtrans-94.8-15.5179.7-65.3-31.1000111.9D46 T48 L66D46-D50 PolarHBondContact OD1-N 3.42Å; T48-D50 WeakPolarHBondContact OG1-CB 3.4Å; T48-D50 PolarHBondContact OG1-N 3.25Å; T48-D50 VanDerWaalsContact OG1-N 3.15Å; D50-L66 PolarHBondContact O-N 3.22Å
51L83.5Confident78.6Confident23 Ų2324.7 Ų24.712%0.1215%0.151CC..EExtended strand (participates in β ladder)trans-118.2128.9177.8-56.7176.5000111.1L45 D46 M63 Y64 Q65 I76 W96L45-L51 WeakPolarHBondContact CA-O 3.19Å; D46-L51 HydrophobicContact CB-CB 3.94Å; D46-L51 PolarHBondContact N-O 2.81Å; D46-L51 PolarHBondContact OD1-N 2.84Å; L51-M63 HydrophobicContact CD1-SD 4.07Å; L51-Y64 WeakPolarHBondContact CA-O 3.2Å; L51-Q65 HydrophobicContact CD2-CB 4.42Å; L51-Q65 HydrophobicContact CD2-CG 4.49Å; L51-I76 HydrophobicContact CD2-CD1 3.78Å; L51-W96 HydrophobicContact CB-CH2 4.38Å; L51-W96 HydrophobicContact CB-CZ2 4.07Å; L51-W96 HydrophobicContact CD1-CH2 4.01Å
52L82.1Confident79.7Confident12 Ų1226.9 Ų26.96%0.06316%0.159CC..EExtended strand (participates in β ladder)trans-107.6127.3170.2174.370.6000108.6I33 I43 L45 M63 Y64 L66I33-L52 HydrophobicContact CD1-CD2 4.21Å; I43-L52 HydrophobicContact CB-CD1 4.07Å; I43-L52 HydrophobicContact CG2-CD1 4.34Å; L45-L52 HydrophobicContact CD2-CB 4.02Å; L45-L52 HydrophobicContact CD2-CD1 3.76Å; L45-L52 HydrophobicContact CG-CD1 4.32Å; L52-M63 CarbonylContact O-C 3.4Å; L52-M63 WeakPolarHBondContact O-CA 3.37Å; L52-Y64 HydrophobicContact CD2-CD2 4.5Å; L52-Y64 PolarHBondContact N-O 3.09Å; L52-Y64 PolarHBondContact O-N 3.12Å; L52-L66 HydrophobicContact CB-CD1 4.07Å; L52-L66 HydrophobicContact CB-CD2 3.89Å; L52-L66 HydrophobicContact CB-CG 3.96Å; L52-L66 HydrophobicContact CD2-CD2 4.26Å
53L83.5Confident80.1Confident0 Ų025.1 Ų25.10%015%0.15CC..EExtended strand (participates in β ladder)trans-109.1129.7174.4-174.562.1000108.9I43 D44 M63 L94 W96 F104 F121I43-L53 CarbonylContact C-O 3.57Å; I43-L53 VanDerWaalsContact CA-O 3.3Å; I43-L53 WeakPolarHBondContact CA-O 3.3Å; D44-L53 PolarHBondContact N-O 2.66Å; D44-L53 PolarHBondContact O-N 3.33Å; L53-M63 HydrophobicContact CD1-CB 4.04Å; L53-L94 HydrophobicContact CB-CD2 3.88Å; L53-L94 HydrophobicContact CD2-CD1 3.28Å; L53-L94 HydrophobicContact CD2-CD2 3.62Å; L53-L94 HydrophobicContact CD2-CG 3.89Å; L53-L94 HydrophobicContact CG-CD1 4.06Å; L53-L94 HydrophobicContact CG-CD2 3.49Å; L53-L94 VanDerWaalsContact CG-CD2 3.49Å; L53-L94 HydrophobicContact CG-CG 4.32Å; L53-W96 HydrophobicContact CB-CZ2 3.82Å; L53-W96 HydrophobicContact CD2-CZ2 4.12Å; L53-F104 HydrophobicContact CD1-CZ 4.39Å; L53-F104 HydrophobicContact CD2-CB 4.07Å; L53-F104 HydrophobicContact CD2-CD1 3.81Å; L53-F104 HydrophobicContact CD2-CD2 3.4Å; L53-F104 HydrophobicContact CD2-CE1 4.04Å; L53-F104 HydrophobicContact CD2-CE2 3.64Å; L53-F104 HydrophobicContact CD2-CG 3.47Å; L53-F104 VanDerWaalsContact CD2-CG 3.47Å; L53-F104 HydrophobicContact CD2-CZ 3.95Å; L53-F121 HydrophobicContact CD1-CE2 4.04Å; L53-F121 HydrophobicContact CD1-CZ 3.87Å
54C80.4Confident80.2Confident1 Ų124.5 Ų24.51%0.00715%0.146CC..EExtended strand (participates in β ladder)trans-121.4127.7178.3-55.10000109.1M42 I43 H56 L61 R62 Y64M42-C54 CarbonylContact O-C 3.59Å; M42-C54 VanDerWaalsContact O-CA 3.31Å; M42-C54 WeakPolarHBondContact O-CA 3.5Å; I43-C54 HydrophobicContact CG2-CB 4.46Å; C54-H56 VanDerWaalsContact CB-NE2 3.26Å; C54-H56 WeakPolarHBondContact CB-NE2 3.19Å; C54-H56 PolarHBondContact O-CD2 2.99Å; C54-L61 CarbonylContact O-C 3.58Å; C54-L61 WeakPolarHBondContact O-CA 3.33Å; C54-R62 PolarHBondContact N-O 2.96Å; C54-R62 PolarHBondContact O-N 2.86Å; C54-Y64 HydrophobicContact CB-CE2 3.91Å; C54-Y64 VanDerWaalsContact SG-CE2 3.56Å
55A78Confident80.1Confident1 Ų129.1 Ų29.11%0.00817%0.168CC..EExtended strand (participates in β ladder)trans-103.4124.8170.800000107.8F41 M42 L61 P91F41-A55 CarbonylContact C-O 3.57Å; F41-A55 WeakPolarHBondContact CA-O 3.35Å; F41-A55 WeakPolarHBondContact CB-O 3.31Å; M42-A55 HydrophobicContact CB-CB 4.2Å; M42-A55 HydrophobicContact CE-CB 3.78Å; M42-A55 PolarHBondContact N-O 3.48Å; M42-A55 PolarHBondContact O-N 3.39Å; A55-L61 HydrophobicContact CB-CD2 3.61Å; A55-P91 HydrophobicContact CB-CB 4.25Å; A55-P91 HydrophobicContact CB-CG 3.39Å
56H73.8Confident79.5Confident5 Ų528.9 Ų28.92%0.02317%0.167CC..  trans-113.7160-170.9-66.6-104.6000112.3C54 D58 A59 C60 R62C54-H56 VanDerWaalsContact CB-NE2 3.26Å; C54-H56 WeakPolarHBondContact CB-NE2 3.19Å; C54-H56 PolarHBondContact O-CD2 2.99Å; H56-D58 WeakPolarHBondContact CB-OD1 3.44Å; H56-D58 PolarHBondContact O-N 3.03Å; H56-A59 PolarHBondContact O-N 3.09Å; H56-A59 VanDerWaalsContact O-N 3.14Å; H56-C60 PolarHBondContact N-O 2.71Å; H56-R62 VanDerWaalsContact CB-NH1 3.31Å; H56-R62 PolarHBondContact CD2-NH1 2.96Å; H56-R62 WeakPolarHBondContact NE2-CD 3.35Å
57S66.3Low78.4Confident49 Ų4930.2 Ų30.234%0.34318%0.182SC..THydrogen-bonded Turntrans-57.5-27.9175.249.80000114E39 E40 A59E39-S57 WeakPolarHBondContact O-CB 3.48Å; E39-S57 PolarHBondContact O-OG 3.21Å; E40-S57 PolarHBondContact O-N 3.24Å; S57-A59 PolarHBondContact O-N 2.83Å
58D70.6Confident77Confident71 Ų7137.4 Ų37.438%0.3820%0.2SC..THydrogen-bonded Turntrans-73.218.3175.176.9-27.1000114H56 C60 R62H56-D58 WeakPolarHBondContact CB-OD1 3.44Å; H56-D58 PolarHBondContact O-N 3.03Å; D58-C60 PolarHBondContact O-N 3.28Å; D58-C60 PolarHBondContact O-SG 3.29Å; D58-C60 VanDerWaalsContact O-SG 3.38Å; D58-C60 VanDerWaalsContact OD1-CB 3.24Å; D58-C60 WeakPolarHBondContact OD1-CB 3.18Å; D58-C60 PolarHBondContact OD1-N 2.9Å; D58-C60 PolarHBondContact OD2-SG 3.32Å; D58-C60 VanDerWaalsContact OD2-SG 3.42Å; D58-R62 IonicContact OD1-CZ 3.23Å; D58-R62 IonicContact OD1-NH1 2.82Å; D58-R62 PolarHBondContact OD1-NH1 2.97Å; D58-R62 IonicContact OD1-NH2 2.74Å; D58-R62 IonicContact OD2-CZ 3.76Å; D58-R62 IonicContact OD2-NH1 2.89Å; D58-R62 PolarHBondContact OD2-NH1 3.22Å; D58-R62 IonicContact OD2-NH2 3.7Å; D58-R62 PolarHBondContact OD2-NH2 3.34Å
59A74.3Confident74.9Confident12 Ų1242.6 Ų42.610%0.09922%0.224CC..SBendtrans52.435.6-177.200000112.8H56 S57 F81H56-A59 PolarHBondContact O-N 3.09Å; H56-A59 VanDerWaalsContact O-N 3.14Å; S57-A59 PolarHBondContact O-N 2.83Å; A59-F81 WeakPolarHBondContact O-CD2 3.49Å; A59-F81 PolarHBondContact O-N 2.8Å
60C78.7Confident73.1Confident4 Ų443.5 Ų43.53%0.02723%0.229CC..EExtended strand (participates in β ladder)trans-114.9139.6174.5-62.70000111.9H56 D58 L78 A79H56-C60 PolarHBondContact N-O 2.71Å; D58-C60 PolarHBondContact O-N 3.28Å; D58-C60 PolarHBondContact O-SG 3.29Å; D58-C60 VanDerWaalsContact O-SG 3.38Å; D58-C60 VanDerWaalsContact OD1-CB 3.24Å; D58-C60 WeakPolarHBondContact OD1-CB 3.18Å; D58-C60 PolarHBondContact OD1-N 2.9Å; D58-C60 PolarHBondContact OD2-SG 3.32Å; D58-C60 VanDerWaalsContact OD2-SG 3.42Å; C60-L78 HydrophobicContact CB-CD1 3.86Å; C60-A79 WeakPolarHBondContact CA-O 3.28Å
61L82.1Confident71.3Confident0 Ų044.5 Ų44.50%024%0.239CC..EExtended strand (participates in β ladder)trans-94.3130.8162.8-60.2176.5000108.5C54 A55 L78 A79 F81 P91 F104 T106 W116 F121C54-L61 CarbonylContact O-C 3.58Å; C54-L61 WeakPolarHBondContact O-CA 3.33Å; A55-L61 HydrophobicContact CB-CD2 3.61Å; L61-L78 WeakPolarHBondContact O-CA 3.36Å; L61-A79 HydrophobicContact CB-CB 4.49Å; L61-A79 PolarHBondContact N-O 3.38Å; L61-A79 PolarHBondContact O-N 3.01Å; L61-F81 HydrophobicContact CD1-CE2 3.93Å; L61-F81 HydrophobicContact CD1-CZ 3.95Å; L61-F81 HydrophobicContact CD2-CE2 3.8Å; L61-F81 HydrophobicContact CD2-CZ 4.15Å; L61-F81 HydrophobicContact CG-CD2 4.46Å; L61-F81 HydrophobicContact CG-CE2 3.54Å; L61-F81 HydrophobicContact CG-CZ 4.03Å; L61-P91 HydrophobicContact CD2-CG 4.16Å; L61-F104 HydrophobicContact CD1-CE2 3.74Å; L61-F104 HydrophobicContact CD1-CZ 4.06Å; L61-T106 HydrophobicContact CD1-CG2 4.14Å; L61-T106 HydrophobicContact CD2-CG2 4.23Å; L61-W116 HydrophobicContact CD1-CD2 3.98Å; L61-W116 HydrophobicContact CD1-CE3 4.21Å; L61-W116 HydrophobicContact CD1-CH2 3.86Å; L61-W116 HydrophobicContact CD1-CZ2 3.6Å; L61-W116 HydrophobicContact CD1-CZ3 4.15Å; L61-F121 HydrophobicContact CB-CE1 3.99Å; L61-F121 HydrophobicContact CB-CZ 3.79Å; L61-F121 WeakPolarHBondContact O-CE1 3.43Å
62R82.4Confident69.6Low53 Ų5350.5 Ų50.520%0.227%0.266CS..EExtended strand (participates in β ladder)trans-123.3126.9175.5-63.6-176.1179.770.81.2108.6C54 H56 D58 Y64 R77 L78C54-R62 PolarHBondContact N-O 2.96Å; C54-R62 PolarHBondContact O-N 2.86Å; H56-R62 VanDerWaalsContact CB-NH1 3.31Å; H56-R62 PolarHBondContact CD2-NH1 2.96Å; H56-R62 WeakPolarHBondContact NE2-CD 3.35Å; D58-R62 IonicContact OD1-CZ 3.23Å; D58-R62 IonicContact OD1-NH1 2.82Å; D58-R62 PolarHBondContact OD1-NH1 2.97Å; D58-R62 IonicContact OD1-NH2 2.74Å; D58-R62 IonicContact OD2-CZ 3.76Å; D58-R62 IonicContact OD2-NH1 2.89Å; D58-R62 PolarHBondContact OD2-NH1 3.22Å; D58-R62 IonicContact OD2-NH2 3.7Å; D58-R62 PolarHBondContact OD2-NH2 3.34Å; R62-Y64 HydrophobicContact CB-CE2 3.6Å; R62-Y64 WeakPolarHBondContact CD-OH 3.32Å; R62-R77 WeakPolarHBondContact CA-O 3.48Å; R62-L78 HydrophobicContact CG-CD1 3.69Å
63M84.1Confident68.3Low6 Ų650.5 Ų50.53%0.0327%0.268CS..EExtended strand (participates in β ladder)trans-107.1132.4174.3-175.7169.764.300109.4L51 L52 L53 A75 I76 R77 W96 T118 F121L51-M63 HydrophobicContact CD1-SD 4.07Å; L52-M63 CarbonylContact O-C 3.4Å; L52-M63 WeakPolarHBondContact O-CA 3.37Å; L53-M63 HydrophobicContact CD1-CB 4.04Å; M63-A75 CarbonylContact O-C 3.47Å; M63-A75 WeakPolarHBondContact O-CA 3.2Å; M63-I76 HydrophobicContact CB-CG1 4.17Å; M63-I76 HydrophobicContact CE-CD1 3.44Å; M63-I76 VanDerWaalsContact CE-CD1 3.44Å; M63-I76 HydrophobicContact CE-CG1 3.81Å; M63-I76 HydrophobicContact CG-CD1 3.97Å; M63-I76 HydrophobicContact CG-CG1 3.95Å; M63-I76 VanDerWaalsContact O-CG1 3.26Å; M63-I76 WeakPolarHBondContact O-CG1 3.45Å; M63-I76 PolarHBondContact O-N 2.98Å; M63-I76 HydrophobicContact SD-CD1 4.19Å; M63-R77 HydrophobicContact CB-CB 4.18Å; M63-R77 HydrophobicContact CE-CB 4.03Å; M63-R77 HydrophobicContact CE-CG 3.44Å; M63-R77 VanDerWaalsContact CE-CG 3.44Å; M63-R77 PolarHBondContact N-O 2.9Å; M63-R77 PolarHBondContact O-N 3.42Å; M63-W96 HydrophobicContact SD-CH2 3.71Å; M63-W96 HydrophobicContact SD-CZ2 4.08Å; M63-T118 HydrophobicContact CE-CG2 3.63Å; M63-T118 HydrophobicContact SD-CG2 3.54Å; M63-T118 VanDerWaalsContact SD-CG2 3.54Å; M63-F121 HydrophobicContact CB-CE2 4.1Å; M63-F121 HydrophobicContact CB-CZ 4.11Å
64Y81Confident67Low7 Ų757.7 Ų57.73%0.02730%0.299CS..EExtended strand (participates in β ladder)trans-116.1139.6179.1-56.9-92.7000110.2L36 L51 L52 C54 R62 A73 K74 A75L36-Y64 HydrophobicContact CD2-CE1 4.48Å; L36-Y64 WeakPolarHBondContact CD2-OH 3.29Å; L51-Y64 WeakPolarHBondContact CA-O 3.2Å; L52-Y64 HydrophobicContact CD2-CD2 4.5Å; L52-Y64 PolarHBondContact N-O 3.09Å; L52-Y64 PolarHBondContact O-N 3.12Å; C54-Y64 HydrophobicContact CB-CE2 3.91Å; C54-Y64 VanDerWaalsContact SG-CE2 3.56Å; R62-Y64 HydrophobicContact CB-CE2 3.6Å; R62-Y64 WeakPolarHBondContact CD-OH 3.32Å; Y64-A73 HydrophobicContact CD1-CB 3.89Å; Y64-A73 HydrophobicContact CG-CB 4.15Å; Y64-K74 CarbonylContact C-O 3.58Å; Y64-K74 VanDerWaalsContact CA-O 3.25Å; Y64-K74 WeakPolarHBondContact CA-O 3.21Å; Y64-A75 HydrophobicContact CD1-CB 4.02Å; Y64-A75 HydrophobicContact CE1-CB 3.77Å
65Q80.5Confident66.3Low104 Ų10460.6 Ų60.649%0.48632%0.323SS..EExtended strand (participates in β ladder)trans-87.8124.2165-171.4171.110.800108.8L51 K74 I76L51-Q65 HydrophobicContact CD2-CB 4.42Å; L51-Q65 HydrophobicContact CD2-CG 4.49Å; Q65-K74 PolarHBondContact N-O 3.28Å; Q65-K74 PolarHBondContact O-N 3.24Å; Q65-I76 HydrophobicContact CB-CD1 4.35Å; Q65-I76 HydrophobicContact CB-CG2 4.09Å
66L71.6Confident66.1Low30 Ų3062.7 Ų62.716%0.15733%0.334CS..EExtended strand (participates in β ladder)trans-85.3125.7174.5-60.3-175.6000109.3L45 D50 L52 A73L45-L66 HydrophobicContact CD2-CD1 3.54Å; D50-L66 PolarHBondContact O-N 3.22Å; L52-L66 HydrophobicContact CB-CD1 4.07Å; L52-L66 HydrophobicContact CB-CD2 3.89Å; L52-L66 HydrophobicContact CB-CG 3.96Å; L52-L66 HydrophobicContact CD2-CD2 4.26Å; L66-A73 HydrophobicContact CD2-CB 4.28Å
67G63.8Low65.9Low37 Ų3768.1 Ų68.138%0.38135%0.354SS..PPolyproline II helixtrans-65.8141.2169.300000110.6L69G67-L69 PolarHBondContact O-N 2.9Å
68R55.4Low66.1Low215 Ų21570.8 Ų70.881%0.81136%0.364SS*.SBendtrans-60.6-26.2173.9-70.2-176.4175.6178.71.9112.9
69L40.2Very low66Low177 Ų17767.9 Ų67.993%0.92735%0.35SS*.SBendtrans-145.70.9-172-66.8172.5000114G67G67-L69 PolarHBondContact O-N 2.9Å
70A41.1Very low65.7Low52 Ų5274.3 Ų74.343%0.4338%0.375SS..  trans-106.9136.8177.400000109.2E72A70-E72 PolarHBondContact O-N 2.68Å
71P44.6Very low65Low76 Ų7674.8 Ų74.849%0.49438%0.377SS..SBendtrans-68.6-8.3175.329.2-33.7000112.8D32D32-P71 HydrophobicContact CB-CB 4.32Å
72E47.9Very low63.5Low148 Ų14885.6 Ų85.669%0.69242%0.418SS*.  trans-79.4121.5-176.3-62.4176.4-16900111.8A70A70-E72 PolarHBondContact O-N 2.68Å
73A53.8Low61.9Low12 Ų1289.1 Ų89.110%0.09944%0.441CS..EExtended strand (participates in β ladder)trans-93113.8167.800000108.9I33 Y64 L66I33-A73 HydrophobicContact CG1-CB 4.36Å; Y64-A73 HydrophobicContact CD1-CB 3.89Å; Y64-A73 HydrophobicContact CG-CB 4.15Å; L66-A73 HydrophobicContact CD2-CB 4.28Å
74K57.3Low60.1Low151 Ų15191 Ų9166%0.65745%0.454SS*.EExtended strand (participates in β ladder)trans-88.3118175.8-176176-179.6176.50110Y64 Q65 I76Y64-K74 CarbonylContact C-O 3.58Å; Y64-K74 VanDerWaalsContact CA-O 3.25Å; Y64-K74 WeakPolarHBondContact CA-O 3.21Å; Q65-K74 PolarHBondContact N-O 3.28Å; Q65-K74 PolarHBondContact O-N 3.24Å; K74-I76 HydrophobicContact CG-CG2 4.39Å; K74-I76 PolarHBondContact O-N 3.04Å
75A64.4Low58.3Low62 Ų6297 Ų9751%0.51249%0.492SS..EExtended strand (participates in β ladder)trans-62.1119169.500000109.7M63 Y64M63-A75 CarbonylContact O-C 3.47Å; M63-A75 WeakPolarHBondContact O-CA 3.2Å; Y64-A75 HydrophobicContact CD1-CB 4.02Å; Y64-A75 HydrophobicContact CE1-CB 3.77Å
76I73.6Confident56.8Low46 Ų4698 Ų9824%0.23650%0.5CS..EExtended strand (participates in β ladder)trans-110.9-20.8-176.855168000113.3L51 M63 Q65 K74L51-I76 HydrophobicContact CD2-CD1 3.78Å; M63-I76 HydrophobicContact CB-CG1 4.17Å; M63-I76 HydrophobicContact CE-CD1 3.44Å; M63-I76 VanDerWaalsContact CE-CD1 3.44Å; M63-I76 HydrophobicContact CE-CG1 3.81Å; M63-I76 HydrophobicContact CG-CD1 3.97Å; M63-I76 HydrophobicContact CG-CG1 3.95Å; M63-I76 VanDerWaalsContact O-CG1 3.26Å; M63-I76 WeakPolarHBondContact O-CG1 3.45Å; M63-I76 PolarHBondContact O-N 2.98Å; M63-I76 HydrophobicContact SD-CD1 4.19Å; Q65-I76 HydrophobicContact CB-CD1 4.35Å; Q65-I76 HydrophobicContact CB-CG2 4.09Å; K74-I76 HydrophobicContact CG-CG2 4.39Å; K74-I76 PolarHBondContact O-N 3.04Å
77R70.1Confident55.7Low119 Ų11999.1 Ų99.145%0.44952%0.518SS..EExtended strand (participates in β ladder)trans-148.8148.3177.4-62.8-67.8-175.8-94.63111.3R62 M63 F121R62-R77 WeakPolarHBondContact CA-O 3.48Å; M63-R77 HydrophobicContact CB-CB 4.18Å; M63-R77 HydrophobicContact CE-CB 4.03Å; M63-R77 HydrophobicContact CE-CG 3.44Å; M63-R77 VanDerWaalsContact CE-CG 3.44Å; M63-R77 PolarHBondContact N-O 2.9Å; M63-R77 PolarHBondContact O-N 3.42Å; R77-F121 HydrophobicContact CB-CB 4.16Å; R77-F121 HydrophobicContact CB-CD1 3.55Å; R77-F121 HydrophobicContact CB-CD2 3.98Å; R77-F121 HydrophobicContact CB-CE1 3.8Å; R77-F121 HydrophobicContact CB-CE2 4.22Å; R77-F121 HydrophobicContact CB-CG 3.65Å; R77-F121 HydrophobicContact CB-CZ 4.14Å; R77-F121 HydrophobicContact CG-CB 4.2Å; R77-F121 HydrophobicContact CG-CD1 4.47Å; R77-F121 HydrophobicContact CG-CD2 4.32Å; R77-F121 HydrophobicContact CG-CG 4.12Å
78L71.3Confident55.2Low105 Ų105102.6 Ų102.655%0.5553%0.528SS..EExtended strand (participates in β ladder)trans-134.7129.1173.9179.475000108.6C60 L61 R62C60-L78 HydrophobicContact CB-CD1 3.86Å; L61-L78 WeakPolarHBondContact O-CA 3.36Å; R62-L78 HydrophobicContact CG-CD1 3.69Å
79A68.7Low55.6Low10 Ų1092.5 Ų92.58%0.08349%0.491CS..EExtended strand (participates in β ladder)trans-128.6130.2170.800000108.2C60 L61 W116 F121C60-A79 WeakPolarHBondContact CA-O 3.28Å; L61-A79 HydrophobicContact CB-CB 4.49Å; L61-A79 PolarHBondContact N-O 3.38Å; L61-A79 PolarHBondContact O-N 3.01Å; A79-W116 HydrophobicContact CB-CH2 4.37Å; A79-W116 HydrophobicContact CB-CZ3 3.83Å; A79-F121 HydrophobicContact CB-CD1 3.32Å; A79-F121 HydrophobicContact CB-CE1 3.47Å; A79-F121 VanDerWaalsContact CB-CE1 3.47Å; A79-F121 HydrophobicContact CB-CG 4.3Å; A79-F121 VanDerWaalsContact N-CE1 3.26Å
80K66.8Low57.1Low146 Ų14688.5 Ų88.564%0.63546%0.464SS*.EExtended strand (participates in β ladder)trans-88.3141.3164.6-60.6-166.1172.6-169.60107.8R82K80-R82 VanDerWaalsContact C-N 3.3Å; K80-R82 PolarHBondContact O-N 3.18Å
81F64Low59Low15 Ų1586.4 Ų86.47%0.06645%0.446CS..  trans-64.492.8169.3-80.7-99.5000109.5A59 L61 N83 A89 P91 T106 D108 W116A59-F81 WeakPolarHBondContact O-CD2 3.49Å; A59-F81 PolarHBondContact O-N 2.8Å; L61-F81 HydrophobicContact CD1-CE2 3.93Å; L61-F81 HydrophobicContact CD1-CZ 3.95Å; L61-F81 HydrophobicContact CD2-CE2 3.8Å; L61-F81 HydrophobicContact CD2-CZ 4.15Å; L61-F81 HydrophobicContact CG-CD2 4.46Å; L61-F81 HydrophobicContact CG-CE2 3.54Å; L61-F81 HydrophobicContact CG-CZ 4.03Å; F81-N83 PolarHBondContact O-N 2.83Å; F81-A89 HydrophobicContact CB-CB 4.2Å; F81-A89 WeakPolarHBondContact CB-O 3.26Å; F81-A89 WeakPolarHBondContact CG-O 3.47Å; F81-P91 HydrophobicContact CE2-CB 4.06Å; F81-P91 VanDerWaalsContact CE2-CD 3.47Å; F81-P91 HydrophobicContact CE2-CG 3.76Å; F81-P91 HydrophobicContact CZ-CB 3.68Å; F81-P91 HydrophobicContact CZ-CG 3.93Å; F81-T106 HydrophobicContact CZ-CG2 4.27Å; F81-D108 HydrophobicContact CE1-CB 4.48Å; F81-W116 HydrophobicContact CD1-CZ2 4.12Å; F81-W116 HydrophobicContact CE1-CH2 4.42Å; F81-W116 AromaticContact CE1-CZ2 3.62Å; F81-W116 HydrophobicContact CE1-CZ2 3.62Å; F81-W116 HydrophobicContact CE2-CZ2 4.41Å; F81-W116 AromaticContact CZ-CZ2 3.76Å; F81-W116 HydrophobicContact CZ-CZ2 3.76Å
82R51.7Low60.7Low227 Ų22783.6 Ų83.686%0.85743%0.427SS*.THydrogen-bonded Turntrans-71.591.2178.7-71.6-174.7-177.9-174.11.1108.7K80K80-R82 VanDerWaalsContact C-N 3.3Å; K80-R82 PolarHBondContact O-N 3.18Å
83N48.4Very low62.5Low126 Ų12677 Ų7767%0.67440%0.396SS*.THydrogen-bonded Turntrans164.716.2158.1-83.6-22.1000111.8F81 V85 K110F81-N83 PolarHBondContact O-N 2.83Å; N83-V85 PolarHBondContact O-N 3.18Å; N83-K110 PolarHBondContact O-NZ 3.15Å
84S44.9Very low64.1Low45 Ų4577.2 Ų77.232%0.31540%0.396SS..  trans-77.175.1168.672.50000109.7D86 G87S84-D86 PolarHBondContact O-N 2.99Å; S84-D86 VanDerWaalsContact O-N 3.12Å; S84-G87 VanDerWaalsContact CB-CA 3.5Å; S84-G87 PolarHBondContact O-N 3.03Å; S84-G87 VanDerWaalsContact O-N 3.1Å; S84-G87 WeakPolarHBondContact OG-CA 3.41Å
85V44.2Very low65.8Low135 Ų13571.6 Ų71.682%0.81837%0.372SS*.THydrogen-bonded Turntrans-54.6-25.8167-179.20000110N83N83-V85 PolarHBondContact O-N 3.18Å
86D48.2Very low67.1Low125 Ų12568.9 Ų68.967%0.66835%0.349SS*.THydrogen-bonded Turntrans-109.48.7177.7-47.4-50.2000114.5S84 L88S84-D86 PolarHBondContact O-N 2.99Å; S84-D86 VanDerWaalsContact O-N 3.12Å; D86-L88 VanDerWaalsContact C-N 3.26Å; D86-L88 HydrophobicContact CB-CD1 4.2Å; D86-L88 HydrophobicContact CB-CG 4.48Å; D86-L88 WeakPolarHBondContact O-CG 3.47Å; D86-L88 PolarHBondContact O-N 3.35Å
87G48.3Very low68Low52 Ų5266.8 Ų66.854%0.53634%0.338SS..SBendtrans74.71.4-177.600000116.5S84S84-G87 VanDerWaalsContact CB-CA 3.5Å; S84-G87 PolarHBondContact O-N 3.03Å; S84-G87 VanDerWaalsContact O-N 3.1Å; S84-G87 WeakPolarHBondContact OG-CA 3.41Å
88L53.9Low68.9Low110 Ų11062.8 Ų62.858%0.57633%0.327SS*.  trans-100.11.4-166.2-66.9168.1000117.2D86 Y90 V109D86-L88 VanDerWaalsContact C-N 3.26Å; D86-L88 HydrophobicContact CB-CD1 4.2Å; D86-L88 HydrophobicContact CB-CG 4.48Å; D86-L88 WeakPolarHBondContact O-CG 3.47Å; D86-L88 PolarHBondContact O-N 3.35Å; L88-Y90 VanDerWaalsContact C-N 3.35Å; L88-Y90 VanDerWaalsContact O-CD1 3.22Å; L88-Y90 WeakPolarHBondContact O-CD1 3.31Å; L88-Y90 PolarHBondContact O-N 2.99Å; L88-V109 WeakPolarHBondContact O-CG2 3.33Å
89A63.9Low69.7Low4 Ų463.5 Ų63.53%0.03333%0.331CS..  trans-84.973.4-176.500000111.9F81F81-A89 HydrophobicContact CB-CB 4.2Å; F81-A89 WeakPolarHBondContact CB-O 3.26Å; F81-A89 WeakPolarHBondContact CG-O 3.47Å
90Y72.8Confident70.7Confident93 Ų9364.1 Ų64.137%0.36533%0.333SS..  trans-93.7151171.860.6-87.4000110.8L88 L92 V109L88-Y90 VanDerWaalsContact C-N 3.35Å; L88-Y90 VanDerWaalsContact O-CD1 3.22Å; L88-Y90 WeakPolarHBondContact O-CD1 3.31Å; L88-Y90 PolarHBondContact O-N 2.99Å; Y90-L92 HydrophobicContact CD2-CD2 4.4Å; Y90-L92 HydrophobicContact CE2-CD2 3.8Å; Y90-V109 HydrophobicContact CD1-CG1 4.23Å; Y90-V109 HydrophobicContact CD2-CG1 4.26Å; Y90-V109 HydrophobicContact CE1-CG1 3.73Å; Y90-V109 HydrophobicContact CE2-CG1 3.79Å; Y90-V109 HydrophobicContact CG-CG1 4.46Å; Y90-V109 VanDerWaalsContact CZ-CG1 3.5Å
91P80.1Confident71.7Confident8 Ų860 Ų605%0.05232%0.318CS..EExtended strand (participates in β ladder)trans-70142.4178.128.3-33.4000111.1M42 A55 L61 F81 T106 S107M42-P91 VanDerWaalsContact CE-C 3.42Å; M42-P91 HydrophobicContact CE-CB 3.67Å; M42-P91 HydrophobicContact CE-CG 3.76Å; M42-P91 WeakPolarHBondContact CE-O 3.34Å; A55-P91 HydrophobicContact CB-CB 4.25Å; A55-P91 HydrophobicContact CB-CG 3.39Å; L61-P91 HydrophobicContact CD2-CG 4.16Å; F81-P91 HydrophobicContact CE2-CB 4.06Å; F81-P91 VanDerWaalsContact CE2-CD 3.47Å; F81-P91 HydrophobicContact CE2-CG 3.76Å; F81-P91 HydrophobicContact CZ-CB 3.68Å; F81-P91 HydrophobicContact CZ-CG 3.93Å; P91-T106 HydrophobicContact CB-CG2 4.33Å; P91-S107 CarbonylContact C-O 3.58Å; P91-S107 WeakPolarHBondContact CA-O 3.34Å
92L81Confident73.1Confident17 Ų1766 Ų669%0.08934%0.344CS..EExtended strand (participates in β ladder)trans-99.2-26176.1-69.3176.7000113.3Y90 S107 V109 D132 F134 A240Y90-L92 HydrophobicContact CD2-CD2 4.4Å; Y90-L92 HydrophobicContact CE2-CD2 3.8Å; L92-S107 WeakPolarHBondContact CB-OG 3.4Å; L92-S107 PolarHBondContact N-O 3.39Å; L92-V109 HydrophobicContact CD1-CG1 4.13Å; L92-V109 HydrophobicContact CD2-CG1 3.77Å; L92-V109 HydrophobicContact CG-CG1 3.91Å; L92-D132 HydrophobicContact CD1-CB 3.74Å; L92-F134 HydrophobicContact CD2-CE1 4.35Å; L92-A240 WeakPolarHBondContact O-CB 3.26Å
93C85.5Confident75Confident8 Ų858.6 Ų58.65%0.05432%0.316CS..EExtended strand (participates in β ladder)trans-152164.7166.870.30000110.8M42 T106 S107 A133 F134 I136M42-C93 WeakPolarHBondContact SD-CA 3.27Å; C93-T106 VanDerWaalsContact O-CA 3.25Å; C93-T106 WeakPolarHBondContact O-CA 3.28Å; C93-S107 PolarHBondContact N-OG 3.25Å; C93-S107 VanDerWaalsContact N-OG 3.07Å; C93-S107 PolarHBondContact O-N 2.79Å; C93-S107 VanDerWaalsContact O-N 3.14Å; C93-S107 PolarHBondContact SG-OG 3.5Å; C93-A133 PolarHBondContact SG-O 2.84Å; C93-F134 WeakPolarHBondContact CB-O 3.35Å; C93-I136 VanDerWaalsContact SG-CG1 3.56Å; C93-I136 VanDerWaalsContact SG-CG2 3.57Å
94L88Confident77.1Confident17 Ų1752.6 Ų52.69%0.08928%0.284CS..EExtended strand (participates in β ladder)trans-142.6137.5-177.8172.571.2000110D44 L53 F104 M105 T106D44-L94 HydrophobicContact CB-CD2 4.03Å; D44-L94 HydrophobicContact CB-CG 4.25Å; L53-L94 HydrophobicContact CB-CD2 3.88Å; L53-L94 HydrophobicContact CD2-CD1 3.28Å; L53-L94 HydrophobicContact CD2-CD2 3.62Å; L53-L94 HydrophobicContact CD2-CG 3.89Å; L53-L94 HydrophobicContact CG-CD1 4.06Å; L53-L94 HydrophobicContact CG-CD2 3.49Å; L53-L94 VanDerWaalsContact CG-CD2 3.49Å; L53-L94 HydrophobicContact CG-CG 4.32Å; L94-F104 HydrophobicContact CD1-CD2 3.61Å; L94-F104 HydrophobicContact CD1-CE2 4.14Å; L94-F104 HydrophobicContact CD1-CG 4.45Å; L94-M105 WeakPolarHBondContact CA-O 3.18Å; L94-M105 WeakPolarHBondContact CD1-O 3.34Å; L94-T106 HydrophobicContact CD1-CG2 3.48Å; L94-T106 VanDerWaalsContact CD1-CG2 3.48Å
95Q91.3Very high79.3Confident33 Ų3350.4 Ų50.415%0.15427%0.269CS..EExtended strand (participates in β ladder)trans-151.4134.6171.3-161-167.5400113.2D44 F104 M105 I136D44-Q95 WeakPolarHBondContact OD2-CA 3.21Å; Q95-F104 CarbonylContact O-C 3.55Å; Q95-F104 WeakPolarHBondContact O-CA 3.32Å; Q95-F104 WeakPolarHBondContact O-CB 3.12Å; Q95-M105 PolarHBondContact N-O 2.85Å; Q95-M105 PolarHBondContact O-N 3.22Å; Q95-I136 HydrophobicContact CB-CD1 3.71Å; Q95-I136 HydrophobicContact CB-CG1 3.67Å; Q95-I136 PolarHBondContact OE1-O 3.2Å
96W91.6Very high81.6Confident6 Ų644 Ų442%0.02323%0.23CC..EExtended strand (participates in β ladder)trans-69.3150.5166.2-73.6100.2000112.2D44 L45 D46 L51 L53 M63 N101 F104 T118D44-W96 PolarHBondContact O-NE1 3.33Å; D44-W96 PolarHBondContact OD2-N 2.8Å; L45-W96 VanDerWaalsContact O-CD1 3.22Å; D46-W96 HydrophobicContact CB-CD2 3.66Å; D46-W96 HydrophobicContact CB-CE3 3.95Å; D46-W96 HydrophobicContact CB-CG 4.02Å; D46-W96 HydrophobicContact CB-CH2 4.38Å; D46-W96 HydrophobicContact CB-CZ2 4.11Å; D46-W96 HydrophobicContact CB-CZ3 4.31Å; L51-W96 HydrophobicContact CB-CH2 4.38Å; L51-W96 HydrophobicContact CB-CZ2 4.07Å; L51-W96 HydrophobicContact CD1-CH2 4.01Å; L53-W96 HydrophobicContact CB-CZ2 3.82Å; L53-W96 HydrophobicContact CD2-CZ2 4.12Å; M63-W96 HydrophobicContact SD-CH2 3.71Å; M63-W96 HydrophobicContact SD-CZ2 4.08Å; W96-N101 WeakPolarHBondContact CZ3-O 3.34Å; W96-F104 HydrophobicContact CD2-CB 3.99Å; W96-F104 HydrophobicContact CE3-CB 3.85Å; W96-F104 HydrophobicContact CE3-CD1 4.39Å; W96-F104 HydrophobicContact CG-CB 4.37Å; W96-F104 HydrophobicContact CH2-CD1 4.13Å; W96-F104 HydrophobicContact CZ3-CB 4.32Å; W96-F104 HydrophobicContact CZ3-CD1 4Å; W96-T118 HydrophobicContact CH2-CG2 3.84Å; W96-T118 HydrophobicContact CZ3-CG2 4.06Å; W96-T118 WeakPolarHBondContact CZ3-OG1 3.48Å
97F92.5Very high83.5Confident2 Ų238 Ų381%0.00920%0.198CC..EExtended strand (participates in β ladder)trans-69.2130.3168-80-109.9000109.3N99 D100 R103 M105 I115 I138 G143 L159F97-N99 PolarHBondContact O-N 2.83Å; F97-D100 HydrophobicContact CB-CB 3.81Å; F97-D100 PolarHBondContact O-N 2.83Å; F97-D100 VanDerWaalsContact O-N 3.11Å; F97-R103 HydrophobicContact CD2-CB 3.59Å; F97-R103 WeakPolarHBondContact CD2-O 3.44Å; F97-R103 HydrophobicContact CE2-CB 3.84Å; F97-R103 HydrophobicContact CG-CB 4.17Å; F97-R103 PolarHBondContact N-O 3.32Å; F97-R103 VanDerWaalsContact N-O 3.17Å; F97-M105 HydrophobicContact CE2-CB 4.36Å; F97-M105 HydrophobicContact CE2-CE 4.45Å; F97-M105 HydrophobicContact CZ-CE 4.09Å; F97-I115 HydrophobicContact CE2-CG2 4.22Å; F97-I115 HydrophobicContact CZ-CG2 4.31Å; F97-I138 HydrophobicContact CD1-CD1 4Å; F97-I138 HydrophobicContact CD1-CG2 4.41Å; F97-I138 HydrophobicContact CD2-CD1 3.82Å; F97-I138 HydrophobicContact CE1-CD1 4.11Å; F97-I138 HydrophobicContact CE2-CD1 3.95Å; F97-I138 HydrophobicContact CG-CD1 3.86Å; F97-I138 HydrophobicContact CZ-CD1 4.09Å; F97-G143 WeakPolarHBondContact CD1-O 3.5Å; F97-L159 HydrophobicContact CE1-CD1 4.01Å; F97-L159 HydrophobicContact CZ-CD1 4.17Å
98P88.9Confident85.3Confident35 Ų3536 Ų3623%0.22718%0.175CC..THydrogen-bonded Turntrans-63.4-23.3-16419.2-31000114.8C47 I138 P140C47-P98 WeakPolarHBondContact CB-O 3.49Å; P98-I138 HydrophobicContact CG-CB 4.46Å; P98-I138 HydrophobicContact CG-CG2 4.1Å; P98-P140 HydrophobicContact CB-CB 4.07Å; P98-P140 HydrophobicContact CG-CB 4.27Å
99N88.4Confident86.6Confident119 Ų11932.8 Ų32.864%0.63616%0.16SC*.THydrogen-bonded Turntrans-127.518178.7-54.9-51.2000112.2F97 P140F97-N99 PolarHBondContact O-N 2.83Å; N99-P140 PolarHBondContact ND2-O 2.78Å
100D89.7Confident87.6Confident23 Ų2337.2 Ų37.212%0.12318%0.179CC..EExtended strand (participates in β ladder)trans-145104.4-173.7-178.18.2000110.4F97 K102 R103F97-D100 HydrophobicContact CB-CB 3.81Å; F97-D100 PolarHBondContact O-N 2.83Å; F97-D100 VanDerWaalsContact O-N 3.11Å; D100-K102 PolarHBondContact O-N 2.84Å; D100-K102 WeakPolarHBondContact OD1-CA 3.5Å; D100-K102 WeakPolarHBondContact OD1-CB 3.44Å; D100-K102 WeakPolarHBondContact OD1-CG 3.15Å; D100-K102 PolarHBondContact OD1-N 3Å; D100-R103 IonicContact OD2-CZ 2.95Å; D100-R103 VanDerWaalsContact OD2-CZ 3.23Å; D100-R103 IonicContact OD2-NE 2.7Å; D100-R103 PolarHBondContact OD2-NE 2.87Å; D100-R103 IonicContact OD2-NH2 2.62Å; D100-R103 PolarHBondContact OD2-NH2 2.9Å
101N89.1Confident88.3Confident59 Ų5936.8 Ų36.832%0.31618%0.18SC..EExtended strand (participates in β ladder)trans-82.46.5175.570-12.8000113.3D46 T48 W96 T118D46-N101 HydrophobicContact CB-CB 4.24Å; D46-N101 VanDerWaalsContact OD2-CB 3.26Å; D46-N101 WeakPolarHBondContact OD2-CB 3.36Å; T48-N101 HydrophobicContact CG2-CB 4.48Å; W96-N101 WeakPolarHBondContact CZ3-O 3.34Å; N101-T118 PolarHBondContact O-OG1 2.87Å
102K91.9Very high88.7Confident142 Ų14240.7 Ų40.762%0.61719%0.194SC*.EExtended strand (participates in β ladder)trans-90.5-12.3174.1-54.6-179.3179.9179.90112D100 T118D100-K102 PolarHBondContact O-N 2.84Å; D100-K102 WeakPolarHBondContact OD1-CA 3.5Å; D100-K102 WeakPolarHBondContact OD1-CB 3.44Å; D100-K102 WeakPolarHBondContact OD1-CG 3.15Å; D100-K102 PolarHBondContact OD1-N 3Å; K102-T118 VanDerWaalsContact O-CB 3.25Å; K102-T118 WeakPolarHBondContact O-CB 3.23Å; K102-T118 PolarHBondContact O-N 2.89Å; K102-T118 PolarHBondContact O-OG1 2.87Å
103R92.4Very high89.2Confident71 Ų7139.9 Ų39.927%0.26819%0.189SC..EExtended strand (participates in β ladder)trans-138.8147.5-178.1-68.6178.4-69.3-179.8-1.5112.1F97 D100 W116 T118F97-R103 HydrophobicContact CD2-CB 3.59Å; F97-R103 WeakPolarHBondContact CD2-O 3.44Å; F97-R103 HydrophobicContact CE2-CB 3.84Å; F97-R103 HydrophobicContact CG-CB 4.17Å; F97-R103 PolarHBondContact N-O 3.32Å; F97-R103 VanDerWaalsContact N-O 3.17Å; D100-R103 IonicContact OD2-CZ 2.95Å; D100-R103 VanDerWaalsContact OD2-CZ 3.23Å; D100-R103 IonicContact OD2-NE 2.7Å; D100-R103 PolarHBondContact OD2-NE 2.87Å; D100-R103 IonicContact OD2-NH2 2.62Å; D100-R103 PolarHBondContact OD2-NH2 2.9Å; R103-W116 VanDerWaalsContact CA-O 3.27Å; R103-W116 WeakPolarHBondContact CA-O 3.29Å; R103-T118 PolarHBondContact N-OG1 3.06Å
104F92.6Very high89.5Confident0 Ų039.9 Ų39.90%019%0.189CC..EExtended strand (participates in β ladder)trans-141.1169.8167.863.2-91.2000109L53 L61 L94 Q95 W96 T106 W116 F121L53-F104 HydrophobicContact CD1-CZ 4.39Å; L53-F104 HydrophobicContact CD2-CB 4.07Å; L53-F104 HydrophobicContact CD2-CD1 3.81Å; L53-F104 HydrophobicContact CD2-CD2 3.4Å; L53-F104 HydrophobicContact CD2-CE1 4.04Å; L53-F104 HydrophobicContact CD2-CE2 3.64Å; L53-F104 HydrophobicContact CD2-CG 3.47Å; L53-F104 VanDerWaalsContact CD2-CG 3.47Å; L53-F104 HydrophobicContact CD2-CZ 3.95Å; L61-F104 HydrophobicContact CD1-CE2 3.74Å; L61-F104 HydrophobicContact CD1-CZ 4.06Å; L94-F104 HydrophobicContact CD1-CD2 3.61Å; L94-F104 HydrophobicContact CD1-CE2 4.14Å; L94-F104 HydrophobicContact CD1-CG 4.45Å; Q95-F104 CarbonylContact O-C 3.55Å; Q95-F104 WeakPolarHBondContact O-CA 3.32Å; Q95-F104 WeakPolarHBondContact O-CB 3.12Å; W96-F104 HydrophobicContact CD2-CB 3.99Å; W96-F104 HydrophobicContact CE3-CB 3.85Å; W96-F104 HydrophobicContact CE3-CD1 4.39Å; W96-F104 HydrophobicContact CG-CB 4.37Å; W96-F104 HydrophobicContact CH2-CD1 4.13Å; W96-F104 HydrophobicContact CZ3-CB 4.32Å; W96-F104 HydrophobicContact CZ3-CD1 4Å; F104-T106 HydrophobicContact CD2-CG2 4.38Å; F104-T106 HydrophobicContact CE2-CG2 4.27Å; F104-W116 HydrophobicContact CD1-CB 3.91Å; F104-W116 HydrophobicContact CD2-CB 3.74Å; F104-W116 AromaticContact CD2-CD1 3.68Å; F104-W116 AromaticContact CD2-CG 3.81Å; F104-W116 HydrophobicContact CD2-CG 3.81Å; F104-W116 HydrophobicContact CE1-CB 3.5Å; F104-W116 VanDerWaalsContact CE1-CB 3.5Å; F104-W116 HydrophobicContact CE1-CG 4.23Å; F104-W116 HydrophobicContact CE2-CB 3.31Å; F104-W116 AromaticContact CE2-CD1 3.3Å; F104-W116 AromaticContact CE2-CD2 3.76Å; F104-W116 HydrophobicContact CE2-CD2 3.76Å; F104-W116 AromaticContact CE2-CG 3.15Å; F104-W116 HydrophobicContact CE2-CG 3.15Å; F104-W116 AromaticContact CE2-NE1 3.94Å; F104-W116 HydrophobicContact CG-CB 4.03Å; F104-W116 HydrophobicContact CZ-CB 3.19Å; F104-W116 AromaticContact CZ-CD2 3.85Å; F104-W116 HydrophobicContact CZ-CD2 3.85Å; F104-W116 HydrophobicContact CZ-CE3 4.21Å; F104-W116 AromaticContact CZ-CG 3.41Å; F104-W116 HydrophobicContact CZ-CG 3.41Å; F104-W116 VanDerWaalsContact CZ-CG 3.41Å; F104-W116 PolarHBondContact N-O 3.07Å; F104-W116 PolarHBondContact O-N 2.97Å; F104-F121 AromaticContact CE1-CD2 3.9Å; F104-F121 HydrophobicContact CE1-CD2 3.9Å; F104-F121 AromaticContact CE1-CE2 3.53Å; F104-F121 HydrophobicContact CE1-CE2 3.53Å; F104-F121 HydrophobicContact CZ-CD2 4.03Å; F104-F121 AromaticContact CZ-CE2 3.49Å; F104-F121 HydrophobicContact CZ-CE2 3.49Å; F104-F121 VanDerWaalsContact CZ-CE2 3.49Å; F104-F121 HydrophobicContact CZ-CZ 4.18Å
105M91.8Very high89.6Confident0 Ų040 Ų400%019%0.189CC..EExtended strand (participates in β ladder)trans-129.6143-178.1-172.4178.8-71.300110.4L94 Q95 F97 L113 N114 I115 I136 L147 L159L94-M105 WeakPolarHBondContact CA-O 3.18Å; L94-M105 WeakPolarHBondContact CD1-O 3.34Å; Q95-M105 PolarHBondContact N-O 2.85Å; Q95-M105 PolarHBondContact O-N 3.22Å; F97-M105 HydrophobicContact CE2-CB 4.36Å; F97-M105 HydrophobicContact CE2-CE 4.45Å; F97-M105 HydrophobicContact CZ-CE 4.09Å; M105-L113 HydrophobicContact CG-CD2 4.44Å; M105-L113 HydrophobicContact SD-CB 4.48Å; M105-L113 HydrophobicContact SD-CD1 4.35Å; M105-L113 HydrophobicContact SD-CD2 4.15Å; M105-N114 CarbonylContact C-O 3.57Å; M105-N114 VanDerWaalsContact CA-O 3.22Å; M105-N114 WeakPolarHBondContact CA-O 3.08Å; M105-N114 WeakPolarHBondContact CG-O 3.3Å; M105-I115 HydrophobicContact CE-CD1 4.05Å; M105-I115 HydrophobicContact CE-CG1 3.65Å; M105-I136 HydrophobicContact CB-CD1 3.79Å; M105-I136 HydrophobicContact CG-CD1 3.81Å; M105-I136 WeakPolarHBondContact O-CD1 3.2Å; M105-I136 HydrophobicContact SD-CD1 4.13Å; M105-L147 HydrophobicContact CE-CD2 4.19Å; M105-L147 HydrophobicContact SD-CD1 4.14Å; M105-L147 HydrophobicContact SD-CD2 3.51Å; M105-L147 VanDerWaalsContact SD-CD2 3.51Å; M105-L147 HydrophobicContact SD-CG 4.42Å; M105-L159 HydrophobicContact CE-CD1 3.92Å; M105-L159 HydrophobicContact CE-CD2 3.72Å
106T91.4Very high89.7Confident0 Ų038.9 Ų38.90%018%0.184CC..EExtended strand (participates in β ladder)trans-124.6154.1167.963.40000110.2L61 F81 P91 C93 L94 F104 L113 N114 W116L61-T106 HydrophobicContact CD1-CG2 4.14Å; L61-T106 HydrophobicContact CD2-CG2 4.23Å; F81-T106 HydrophobicContact CZ-CG2 4.27Å; P91-T106 HydrophobicContact CB-CG2 4.33Å; C93-T106 VanDerWaalsContact O-CA 3.25Å; C93-T106 WeakPolarHBondContact O-CA 3.28Å; L94-T106 HydrophobicContact CD1-CG2 3.48Å; L94-T106 VanDerWaalsContact CD1-CG2 3.48Å; F104-T106 HydrophobicContact CD2-CG2 4.38Å; F104-T106 HydrophobicContact CE2-CG2 4.27Å; T106-L113 WeakPolarHBondContact O-CA 3.43Å; T106-N114 PolarHBondContact N-O 3.14Å; T106-N114 PolarHBondContact O-N 3Å; T106-W116 PolarHBondContact OG1-NE1 2.76Å
107S89Confident89.7Confident0 Ų040.8 Ų40.80%020%0.195CC..EExtended strand (participates in β ladder)trans-100.8159.1154.563.30000109.7P91 L92 C93 R112 A133P91-S107 CarbonylContact C-O 3.58Å; P91-S107 WeakPolarHBondContact CA-O 3.34Å; L92-S107 WeakPolarHBondContact CB-OG 3.4Å; L92-S107 PolarHBondContact N-O 3.39Å; C93-S107 PolarHBondContact N-OG 3.25Å; C93-S107 VanDerWaalsContact N-OG 3.07Å; C93-S107 PolarHBondContact O-N 2.79Å; C93-S107 VanDerWaalsContact O-N 3.14Å; C93-S107 PolarHBondContact SG-OG 3.5Å; S107-R112 VanDerWaalsContact CA-O 3.25Å; S107-R112 WeakPolarHBondContact CA-O 3.07Å; S107-A133 WeakPolarHBondContact CB-O 3.26Å; S107-A133 PolarHBondContact OG-O 2.78Å
108D86.1Confident89.6Confident8 Ų841.2 Ų41.24%0.04320%0.197CC..EExtended strand (participates in β ladder)trans-133.9168.3173.961.237.2000111.5F81 K110 E111 R112 N114F81-D108 HydrophobicContact CE1-CB 4.48Å; D108-K110 PolarHBondContact O-N 3.32Å; D108-K110 VanDerWaalsContact O-N 3.12Å; D108-K110 WeakPolarHBondContact OD1-CA 3.18Å; D108-K110 WeakPolarHBondContact OD1-CB 3.24Å; D108-K110 PolarHBondContact OD1-N 3.09Å; D108-E111 PolarHBondContact O-N 2.99Å; D108-E111 VanDerWaalsContact O-N 3.13Å; D108-E111 PolarHBondContact OD1-N 2.91Å; D108-R112 PolarHBondContact N-O 3.03Å; D108-R112 VanDerWaalsContact N-O 3.16Å; D108-R112 WeakPolarHBondContact OD1-CB 3.42Å; D108-R112 PolarHBondContact OD1-N 3.1Å; D108-R112 VanDerWaalsContact OD1-N 3.16Å; D108-N114 PolarHBondContact OD2-ND2 3Å
109V81.7Confident89.5Confident44 Ų4443 Ų4327%0.26722%0.215SC..THydrogen-bonded Turntrans-66.9-3.4176.5-59.60000114.3L88 Y90 L92L88-V109 WeakPolarHBondContact O-CG2 3.33Å; Y90-V109 HydrophobicContact CD1-CG1 4.23Å; Y90-V109 HydrophobicContact CD2-CG1 4.26Å; Y90-V109 HydrophobicContact CE1-CG1 3.73Å; Y90-V109 HydrophobicContact CE2-CG1 3.79Å; Y90-V109 HydrophobicContact CG-CG1 4.46Å; Y90-V109 VanDerWaalsContact CZ-CG1 3.5Å; L92-V109 HydrophobicContact CD1-CG1 4.13Å; L92-V109 HydrophobicContact CD2-CG1 3.77Å; L92-V109 HydrophobicContact CG-CG1 3.91Å
110K83.5Confident89.5Confident97 Ų9740.6 Ų40.642%0.42221%0.207SC..THydrogen-bonded Turntrans-91.416.2172.3-62.9-170.1171.3-167.40111.2N83 D108 R112N83-K110 PolarHBondContact O-NZ 3.15Å; D108-K110 PolarHBondContact O-N 3.32Å; D108-K110 VanDerWaalsContact O-N 3.12Å; D108-K110 WeakPolarHBondContact OD1-CA 3.18Å; D108-K110 WeakPolarHBondContact OD1-CB 3.24Å; D108-K110 PolarHBondContact OD1-N 3.09Å; K110-R112 VanDerWaalsContact C-N 3.25Å; K110-R112 HydrophobicContact CB-CG 4.25Å; K110-R112 WeakPolarHBondContact O-CG 3.35Å; K110-R112 PolarHBondContact O-N 2.6Å
111E87.8Confident89.4Confident83 Ų8340 Ų4039%0.38820%0.204SC..THydrogen-bonded Turntrans57.839179.4-51178.6174.700111.9D108 P128 I129 G130 G131D108-E111 PolarHBondContact O-N 2.99Å; D108-E111 VanDerWaalsContact O-N 3.13Å; D108-E111 PolarHBondContact OD1-N 2.91Å; E111-P128 WeakPolarHBondContact O-CA 3.5Å; E111-I129 HydrophobicContact CB-CG1 4.49Å; E111-I129 WeakPolarHBondContact O-CG1 2.91Å; E111-I129 PolarHBondContact O-N 3.13Å; E111-G130 VanDerWaalsContact OE2-CA 3.27Å; E111-G130 WeakPolarHBondContact OE2-CA 3.39Å; E111-G131 PolarHBondContact OE2-N 3.16Å
112R88.9Confident89.3Confident90 Ų9040.9 Ų40.934%0.3421%0.211SC..EExtended strand (participates in β ladder)trans-115.7147.9178.1-52.6-176.16896.31.8111.2S107 D108 K110 S126 F127S107-R112 VanDerWaalsContact CA-O 3.25Å; S107-R112 WeakPolarHBondContact CA-O 3.07Å; D108-R112 PolarHBondContact N-O 3.03Å; D108-R112 VanDerWaalsContact N-O 3.16Å; D108-R112 WeakPolarHBondContact OD1-CB 3.42Å; D108-R112 PolarHBondContact OD1-N 3.1Å; D108-R112 VanDerWaalsContact OD1-N 3.16Å; K110-R112 VanDerWaalsContact C-N 3.25Å; K110-R112 HydrophobicContact CB-CG 4.25Å; K110-R112 WeakPolarHBondContact O-CG 3.35Å; K110-R112 PolarHBondContact O-N 2.6Å; R112-S126 PolarHBondContact NE-OG 3.13Å; R112-S126 PolarHBondContact NH2-O 3.2Å; R112-S126 VanDerWaalsContact NH2-O 3.16Å; R112-S126 PolarHBondContact NH2-OG 3.25Å; R112-S126 VanDerWaalsContact NH2-OG 3.07Å; R112-F127 WeakPolarHBondContact CA-O 3.34Å
113L90.9Very high89.1Confident0 Ų037.3 Ų37.30%020%0.201CC..EExtended strand (participates in β ladder)trans-100129.7159.9-72.5175.6000109.3M105 T106 S126 F127 I129 I136 L147 A149M105-L113 HydrophobicContact CG-CD2 4.44Å; M105-L113 HydrophobicContact SD-CB 4.48Å; M105-L113 HydrophobicContact SD-CD1 4.35Å; M105-L113 HydrophobicContact SD-CD2 4.15Å; T106-L113 WeakPolarHBondContact O-CA 3.43Å; L113-S126 VanDerWaalsContact O-CA 3.28Å; L113-S126 WeakPolarHBondContact O-CA 3.5Å; L113-F127 HydrophobicContact CB-CD1 4.4Å; L113-F127 HydrophobicContact CB-CD2 4.32Å; L113-F127 HydrophobicContact CB-CE1 3.89Å; L113-F127 HydrophobicContact CB-CE2 3.82Å; L113-F127 HydrophobicContact CB-CZ 3.58Å; L113-F127 HydrophobicContact CD1-CE2 3.61Å; L113-F127 HydrophobicContact CD1-CZ 3.63Å; L113-F127 HydrophobicContact CG-CE2 4.26Å; L113-F127 HydrophobicContact CG-CZ 4.26Å; L113-F127 PolarHBondContact N-O 3.46Å; L113-F127 PolarHBondContact O-N 2.78Å; L113-I129 HydrophobicContact CB-CG2 4.27Å; L113-I129 HydrophobicContact CD1-CG2 3.54Å; L113-I129 HydrophobicContact CG-CD1 4.22Å; L113-I129 HydrophobicContact CG-CG2 3.61Å; L113-I136 HydrophobicContact CD2-CG2 3.69Å; L113-L147 HydrophobicContact CD1-CD2 3.35Å; L113-A149 HydrophobicContact CD1-CB 4.44Å
114N91.1Very high89Confident9 Ų937.2 Ų37.25%0.04822%0.216CC..EExtended strand (participates in β ladder)trans-116.8122.5-178-58.3-68.9000109.1M105 T106 D108 W116 T123 S126M105-N114 CarbonylContact C-O 3.57Å; M105-N114 VanDerWaalsContact CA-O 3.22Å; M105-N114 WeakPolarHBondContact CA-O 3.08Å; M105-N114 WeakPolarHBondContact CG-O 3.3Å; T106-N114 PolarHBondContact N-O 3.14Å; T106-N114 PolarHBondContact O-N 3Å; D108-N114 PolarHBondContact OD2-ND2 3Å; N114-W116 VanDerWaalsContact O-CD1 3.3Å; N114-T123 HydrophobicContact CB-CG2 4.11Å; N114-S126 VanDerWaalsContact OD1-CB 3.29Å; N114-S126 WeakPolarHBondContact OD1-CB 2.87Å; N114-S126 PolarHBondContact OD1-OG 2.75Å
115I91.9Very high88.9Confident19 Ų1939.7 Ų39.710%0.09723%0.233CC..EExtended strand (participates in β ladder)trans-94.2124.7170.8-60.2174.7000107.3F97 M105 T123 A124 S125 F127F97-I115 HydrophobicContact CE2-CG2 4.22Å; F97-I115 HydrophobicContact CZ-CG2 4.31Å; M105-I115 HydrophobicContact CE-CD1 4.05Å; M105-I115 HydrophobicContact CE-CG1 3.65Å; I115-T123 CarbonylContact O-C 3.47Å; I115-T123 WeakPolarHBondContact O-CA 3.34Å; I115-A124 PolarHBondContact O-N 3.23Å; I115-S125 PolarHBondContact N-O 2.84Å; I115-S125 PolarHBondContact O-N 2.63Å; I115-F127 HydrophobicContact CD1-CE1 4.35Å
116W92.8Very high88.8Confident9 Ų941.6 Ų41.63%0.03425%0.246CC..EExtended strand (participates in β ladder)trans-106137.7-177.2-63.581.5000110.7L61 A79 F81 R103 F104 T106 N114 V122 T123L61-W116 HydrophobicContact CD1-CD2 3.98Å; L61-W116 HydrophobicContact CD1-CE3 4.21Å; L61-W116 HydrophobicContact CD1-CH2 3.86Å; L61-W116 HydrophobicContact CD1-CZ2 3.6Å; L61-W116 HydrophobicContact CD1-CZ3 4.15Å; A79-W116 HydrophobicContact CB-CH2 4.37Å; A79-W116 HydrophobicContact CB-CZ3 3.83Å; F81-W116 HydrophobicContact CD1-CZ2 4.12Å; F81-W116 HydrophobicContact CE1-CH2 4.42Å; F81-W116 AromaticContact CE1-CZ2 3.62Å; F81-W116 HydrophobicContact CE1-CZ2 3.62Å; F81-W116 HydrophobicContact CE2-CZ2 4.41Å; F81-W116 AromaticContact CZ-CZ2 3.76Å; F81-W116 HydrophobicContact CZ-CZ2 3.76Å; R103-W116 VanDerWaalsContact CA-O 3.27Å; R103-W116 WeakPolarHBondContact CA-O 3.29Å; F104-W116 HydrophobicContact CD1-CB 3.91Å; F104-W116 HydrophobicContact CD2-CB 3.74Å; F104-W116 AromaticContact CD2-CD1 3.68Å; F104-W116 AromaticContact CD2-CG 3.81Å; F104-W116 HydrophobicContact CD2-CG 3.81Å; F104-W116 HydrophobicContact CE1-CB 3.5Å; F104-W116 VanDerWaalsContact CE1-CB 3.5Å; F104-W116 HydrophobicContact CE1-CG 4.23Å; F104-W116 HydrophobicContact CE2-CB 3.31Å; F104-W116 AromaticContact CE2-CD1 3.3Å; F104-W116 AromaticContact CE2-CD2 3.76Å; F104-W116 HydrophobicContact CE2-CD2 3.76Å; F104-W116 AromaticContact CE2-CG 3.15Å; F104-W116 HydrophobicContact CE2-CG 3.15Å; F104-W116 AromaticContact CE2-NE1 3.94Å; F104-W116 HydrophobicContact CG-CB 4.03Å; F104-W116 HydrophobicContact CZ-CB 3.19Å; F104-W116 AromaticContact CZ-CD2 3.85Å; F104-W116 HydrophobicContact CZ-CD2 3.85Å; F104-W116 HydrophobicContact CZ-CE3 4.21Å; F104-W116 AromaticContact CZ-CG 3.41Å; F104-W116 HydrophobicContact CZ-CG 3.41Å; F104-W116 VanDerWaalsContact CZ-CG 3.41Å; F104-W116 PolarHBondContact N-O 3.07Å; F104-W116 PolarHBondContact O-N 2.97Å; T106-W116 PolarHBondContact OG1-NE1 2.76Å; N114-W116 VanDerWaalsContact O-CD1 3.3Å; W116-V122 WeakPolarHBondContact CA-O 3.38Å; W116-T123 HydrophobicContact CD2-CG2 3.94Å; W116-T123 HydrophobicContact CE3-CG2 4.04Å; W116-T123 HydrophobicContact CH2-CG2 3.76Å; W116-T123 HydrophobicContact CZ2-CG2 3.63Å; W116-T123 HydrophobicContact CZ3-CG2 3.96Å
117D90.9Very high88.8Confident47 Ų4741.9 Ų41.925%0.25125%0.247SC..EExtended strand (participates in β ladder)trans-87.8125.5166.2175.7-96.9000109A119 S120 F121 V122 A124D117-A119 WeakPolarHBondContact OD1-CB 3.45Å; D117-A119 PolarHBondContact OD1-N 3.36Å; D117-S120 WeakPolarHBondContact CB-OG 3.37Å; D117-S120 WeakPolarHBondContact OD1-CB 3.23Å; D117-S120 PolarHBondContact OD1-N 2.95Å; D117-S120 PolarHBondContact OD1-OG 3.41Å; D117-F121 WeakPolarHBondContact O-CA 3.33Å; D117-F121 PolarHBondContact O-N 3.22Å; D117-V122 PolarHBondContact N-O 2.93Å; D117-A124 HydrophobicContact CB-CB 4.24Å
118T90.6Very high88.8Confident11 Ų1145.9 Ų45.97%0.06727%0.273CS..THydrogen-bonded Turntrans-74.4-30.5-173.4-57.80000111.9M63 W96 N101 K102 R103M63-T118 HydrophobicContact CE-CG2 3.63Å; M63-T118 HydrophobicContact SD-CG2 3.54Å; M63-T118 VanDerWaalsContact SD-CG2 3.54Å; W96-T118 HydrophobicContact CH2-CG2 3.84Å; W96-T118 HydrophobicContact CZ3-CG2 4.06Å; W96-T118 WeakPolarHBondContact CZ3-OG1 3.48Å; N101-T118 PolarHBondContact O-OG1 2.87Å; K102-T118 VanDerWaalsContact O-CB 3.25Å; K102-T118 WeakPolarHBondContact O-CB 3.23Å; K102-T118 PolarHBondContact O-N 2.89Å; K102-T118 PolarHBondContact O-OG1 2.87Å; R103-T118 PolarHBondContact N-OG1 3.06Å
119A88Confident89Confident73 Ų7346.2 Ų46.260%0.60328%0.275SS*.THydrogen-bonded Turntrans-69.4-48.7-177.500000111.5D117D117-A119 WeakPolarHBondContact OD1-CB 3.45Å; D117-A119 PolarHBondContact OD1-N 3.36Å
120S87.2Confident89.1Confident67 Ų6747 Ų4747%0.46929%0.292SS..THydrogen-bonded Turntrans-87.8-19178.758.60000113.7D117 V122D117-S120 WeakPolarHBondContact CB-OG 3.37Å; D117-S120 WeakPolarHBondContact OD1-CB 3.23Å; D117-S120 PolarHBondContact OD1-N 2.95Å; D117-S120 PolarHBondContact OD1-OG 3.41Å; S120-V122 PolarHBondContact O-N 2.85Å; S120-V122 WeakPolarHBondContact OG-CG2 3.36Å
121F87.8Confident89.2Confident11 Ų1142.8 Ų42.85%0.04828%0.276CS..THydrogen-bonded Turntrans54.339.8-177.3-145.4-123.6000113.2L53 L61 M63 R77 A79 F104 D117L53-F121 HydrophobicContact CD1-CE2 4.04Å; L53-F121 HydrophobicContact CD1-CZ 3.87Å; L61-F121 HydrophobicContact CB-CE1 3.99Å; L61-F121 HydrophobicContact CB-CZ 3.79Å; L61-F121 WeakPolarHBondContact O-CE1 3.43Å; M63-F121 HydrophobicContact CB-CE2 4.1Å; M63-F121 HydrophobicContact CB-CZ 4.11Å; R77-F121 HydrophobicContact CB-CB 4.16Å; R77-F121 HydrophobicContact CB-CD1 3.55Å; R77-F121 HydrophobicContact CB-CD2 3.98Å; R77-F121 HydrophobicContact CB-CE1 3.8Å; R77-F121 HydrophobicContact CB-CE2 4.22Å; R77-F121 HydrophobicContact CB-CG 3.65Å; R77-F121 HydrophobicContact CB-CZ 4.14Å; R77-F121 HydrophobicContact CG-CB 4.2Å; R77-F121 HydrophobicContact CG-CD1 4.47Å; R77-F121 HydrophobicContact CG-CD2 4.32Å; R77-F121 HydrophobicContact CG-CG 4.12Å; A79-F121 HydrophobicContact CB-CD1 3.32Å; A79-F121 HydrophobicContact CB-CE1 3.47Å; A79-F121 VanDerWaalsContact CB-CE1 3.47Å; A79-F121 HydrophobicContact CB-CG 4.3Å; A79-F121 VanDerWaalsContact N-CE1 3.26Å; F104-F121 AromaticContact CE1-CD2 3.9Å; F104-F121 HydrophobicContact CE1-CD2 3.9Å; F104-F121 AromaticContact CE1-CE2 3.53Å; F104-F121 HydrophobicContact CE1-CE2 3.53Å; F104-F121 HydrophobicContact CZ-CD2 4.03Å; F104-F121 AromaticContact CZ-CE2 3.49Å; F104-F121 HydrophobicContact CZ-CE2 3.49Å; F104-F121 VanDerWaalsContact CZ-CE2 3.49Å; F104-F121 HydrophobicContact CZ-CZ 4.18Å; D117-F121 WeakPolarHBondContact O-CA 3.33Å; D117-F121 PolarHBondContact O-N 3.22Å
122V86.7Confident89Confident78 Ų7841.9 Ų41.947%0.47327%0.274SS..EExtended strand (participates in β ladder)trans-123.3161.2173.3-59.20000110.8W116 D117 S120 A124W116-V122 WeakPolarHBondContact CA-O 3.38Å; D117-V122 PolarHBondContact N-O 2.93Å; S120-V122 PolarHBondContact O-N 2.85Å; S120-V122 WeakPolarHBondContact OG-CG2 3.36Å; V122-A124 PolarHBondContact O-N 3.36Å
123T88.4Confident88.9Confident67 Ų6737.6 Ų37.641%0.41126%0.258SS..EExtended strand (participates in β ladder)trans-67.6112.3173.554.60000110.1N114 I115 W116N114-T123 HydrophobicContact CB-CG2 4.11Å; I115-T123 CarbonylContact O-C 3.47Å; I115-T123 WeakPolarHBondContact O-CA 3.34Å; W116-T123 HydrophobicContact CD2-CG2 3.94Å; W116-T123 HydrophobicContact CE3-CG2 4.04Å; W116-T123 HydrophobicContact CH2-CG2 3.76Å; W116-T123 HydrophobicContact CZ2-CG2 3.63Å; W116-T123 HydrophobicContact CZ3-CG2 3.96Å
124A90.1Very high88.6Confident69 Ų6938.7 Ų38.757%0.5726%0.263SS*.EExtended strand (participates in β ladder)trans-77.2-31.1174.300000112.2I115 D117 V122I115-A124 PolarHBondContact O-N 3.23Å; D117-A124 HydrophobicContact CB-CB 4.24Å; V122-A124 PolarHBondContact O-N 3.36Å
125S89.9Confident88.5Confident51 Ų5138.9 Ų38.936%0.35726%0.264SS..EExtended strand (participates in β ladder)trans-152.5152.6175.1-178.90000110I115I115-S125 PolarHBondContact N-O 2.84Å; I115-S125 PolarHBondContact O-N 2.63Å
126S89.9Confident88.5Confident40 Ų4038.4 Ų38.428%0.2826%0.262SS..EExtended strand (participates in β ladder)trans-151.2130.9177.9-178.80000110.3R112 L113 N114R112-S126 PolarHBondContact NE-OG 3.13Å; R112-S126 PolarHBondContact NH2-O 3.2Å; R112-S126 VanDerWaalsContact NH2-O 3.16Å; R112-S126 PolarHBondContact NH2-OG 3.25Å; R112-S126 VanDerWaalsContact NH2-OG 3.07Å; L113-S126 VanDerWaalsContact O-CA 3.28Å; L113-S126 WeakPolarHBondContact O-CA 3.5Å; N114-S126 VanDerWaalsContact OD1-CB 3.29Å; N114-S126 WeakPolarHBondContact OD1-CB 2.87Å; N114-S126 PolarHBondContact OD1-OG 2.75Å
127F91Very high88.5Confident6 Ų638.2 Ų38.23%0.02626%0.261CS..EExtended strand (participates in β ladder)trans-140.5145.7-177.357.6-85.7000112.1R112 L113 I115 I129 W157 L159 T162R112-F127 WeakPolarHBondContact CA-O 3.34Å; L113-F127 HydrophobicContact CB-CD1 4.4Å; L113-F127 HydrophobicContact CB-CD2 4.32Å; L113-F127 HydrophobicContact CB-CE1 3.89Å; L113-F127 HydrophobicContact CB-CE2 3.82Å; L113-F127 HydrophobicContact CB-CZ 3.58Å; L113-F127 HydrophobicContact CD1-CE2 3.61Å; L113-F127 HydrophobicContact CD1-CZ 3.63Å; L113-F127 HydrophobicContact CG-CE2 4.26Å; L113-F127 HydrophobicContact CG-CZ 4.26Å; L113-F127 PolarHBondContact N-O 3.46Å; L113-F127 PolarHBondContact O-N 2.78Å; I115-F127 HydrophobicContact CD1-CE1 4.35Å; F127-I129 HydrophobicContact CD2-CG2 4.23Å; F127-I129 HydrophobicContact CE2-CG2 4.1Å; F127-W157 HydrophobicContact CD2-CE3 4.42Å; F127-W157 HydrophobicContact CD2-CZ3 4.35Å; F127-W157 HydrophobicContact CE2-CD2 4.22Å; F127-W157 HydrophobicContact CE2-CE3 4.05Å; F127-W157 HydrophobicContact CE2-CZ3 4.4Å; F127-L159 HydrophobicContact CE1-CD2 4.42Å; F127-L159 HydrophobicContact CZ-CD2 3.94Å; F127-T162 HydrophobicContact CD1-CG2 3.67Å; F127-T162 HydrophobicContact CD2-CG2 4.22Å; F127-T162 HydrophobicContact CE1-CG2 3.7Å; F127-T162 HydrophobicContact CE2-CG2 4.22Å; F127-T162 HydrophobicContact CG-CG2 3.95Å; F127-T162 HydrophobicContact CZ-CG2 3.97Å
128P90.3Very high88.6Confident84 Ų8436 Ų3655%0.54525%0.25SC..EExtended strand (participates in β ladder)trans-73.5146.3179.931.7-34.8000111.4E111E111-P128 WeakPolarHBondContact O-CA 3.5Å
129I89.3Confident88.7Confident15 Ų1535.6 Ų35.68%0.07725%0.247CC..  trans-120.1-11.2176.755.2161.7000114.3E111 L113 F127 G131 A133 W157E111-I129 HydrophobicContact CB-CG1 4.49Å; E111-I129 WeakPolarHBondContact O-CG1 2.91Å; E111-I129 PolarHBondContact O-N 3.13Å; L113-I129 HydrophobicContact CB-CG2 4.27Å; L113-I129 HydrophobicContact CD1-CG2 3.54Å; L113-I129 HydrophobicContact CG-CD1 4.22Å; L113-I129 HydrophobicContact CG-CG2 3.61Å; F127-I129 HydrophobicContact CD2-CG2 4.23Å; F127-I129 HydrophobicContact CE2-CG2 4.1Å; I129-G131 WeakPolarHBondContact CD1-O 3.16Å; I129-G131 WeakPolarHBondContact CG1-O 3.28Å; I129-A133 HydrophobicContact CD1-CB 3.37Å; I129-W157 HydrophobicContact CB-CZ2 3.94Å; I129-W157 HydrophobicContact CG2-CH2 4.24Å; I129-W157 HydrophobicContact CG2-CZ2 3.64Å
130G84Confident88.7Confident60 Ų6033.3 Ų33.362%0.61923%0.226SC*.SBendtrans75.623.7172.800000115.1E111E111-G130 VanDerWaalsContact OE2-CA 3.27Å; E111-G130 WeakPolarHBondContact OE2-CA 3.39Å
131G85.3Confident88.7Confident9 Ų935.1 Ų35.19%0.09323%0.234CC..SBendtrans174.8167.7171.800000112E111 I129 A133E111-G131 PolarHBondContact OE2-N 3.16Å; I129-G131 WeakPolarHBondContact CD1-O 3.16Å; I129-G131 WeakPolarHBondContact CG1-O 3.28Å; G131-A133 PolarHBondContact O-N 2.94Å
132D84.2Confident88.5Confident64 Ų6436.1 Ų36.134%0.34224%0.243SC..  trans-69.2119.7178.7-68.3-34.3000111.4L92 F134L92-D132 HydrophobicContact CD1-CB 3.74Å; D132-F134 HydrophobicContact CB-CE2 3.94Å; D132-F134 HydrophobicContact CB-CZ 3.92Å
133A87.7Confident87.5Confident0 Ų032.9 Ų32.90%023%0.225CC..  trans-96.1101.2173.300000110.9C93 S107 I129 G131 T135 A149 G150C93-A133 PolarHBondContact SG-O 2.84Å; S107-A133 WeakPolarHBondContact CB-O 3.26Å; S107-A133 PolarHBondContact OG-O 2.78Å; I129-A133 HydrophobicContact CD1-CB 3.37Å; G131-A133 PolarHBondContact O-N 2.94Å; A133-T135 VanDerWaalsContact C-N 3.28Å; A133-T135 PolarHBondContact O-N 3.38Å; A133-A149 HydrophobicContact CB-CB 4.16Å; A133-G150 VanDerWaalsContact CA-O 3.29Å; A133-G150 WeakPolarHBondContact CA-O 3.25Å
134F84.2Confident86.4Confident24 Ų2434.3 Ų34.311%0.10523%0.227CC..SBendtrans-78.4-12176.5-62.3-73.3000113.2L92 C93 D132 G150 E238 A240L92-F134 HydrophobicContact CD2-CE1 4.35Å; C93-F134 WeakPolarHBondContact CB-O 3.35Å; D132-F134 HydrophobicContact CB-CE2 3.94Å; D132-F134 HydrophobicContact CB-CZ 3.92Å; F134-G150 PolarHBondContact N-O 2.8Å; F134-E238 WeakPolarHBondContact CE1-O 3.1Å; F134-A240 HydrophobicContact CB-CB 4.09Å; F134-A240 WeakPolarHBondContact O-CB 3.48Å
135T88.5Confident85.3Confident13 Ų1334 Ų348%0.0821%0.214CC..EExtended strand (participates in β ladder)trans-149.3144.5176.3-172.10000109.8A133 A149 G150 V191 G194A133-T135 VanDerWaalsContact C-N 3.28Å; A133-T135 PolarHBondContact O-N 3.38Å; T135-A149 CarbonylContact O-C 3.55Å; T135-A149 WeakPolarHBondContact O-CA 3.43Å; T135-G150 PolarHBondContact O-N 3.05Å; T135-V191 HydrophobicContact CG2-CG1 3.6Å; T135-G194 PolarHBondContact OG1-N 2.91Å; T135-G194 PolarHBondContact OG1-O 2.75Å
136I91.7Very high84.6Confident9 Ų933 Ų335%0.04621%0.205CC..EExtended strand (participates in β ladder)trans-126.8144.4168.857.3-179.8000108.9C93 Q95 M105 L113 L147 V148 A149C93-I136 VanDerWaalsContact SG-CG1 3.56Å; C93-I136 VanDerWaalsContact SG-CG2 3.57Å; Q95-I136 HydrophobicContact CB-CD1 3.71Å; Q95-I136 HydrophobicContact CB-CG1 3.67Å; Q95-I136 PolarHBondContact OE1-O 3.2Å; M105-I136 HydrophobicContact CB-CD1 3.79Å; M105-I136 HydrophobicContact CG-CD1 3.81Å; M105-I136 WeakPolarHBondContact O-CD1 3.2Å; M105-I136 HydrophobicContact SD-CD1 4.13Å; L113-I136 HydrophobicContact CD2-CG2 3.69Å; I136-L147 HydrophobicContact CB-CD1 3.79Å; I136-L147 HydrophobicContact CG2-CD1 4.26Å; I136-L147 HydrophobicContact CG2-CD2 4.45Å; I136-V148 CarbonylContact C-O 3.46Å; I136-V148 WeakPolarHBondContact CA-O 3.21Å; I136-A149 HydrophobicContact CG2-CB 4.23Å
137S92.4Very high84.2Confident4 Ų431.1 Ų31.13%0.02819%0.191CC..EExtended strand (participates in β ladder)trans-138.6117.6169.3-154.60000110.7L147 V148 K195 F196S137-L147 WeakPolarHBondContact O-CA 3.35Å; S137-L147 WeakPolarHBondContact O-CD1 3.42Å; S137-V148 PolarHBondContact N-O 3.11Å; S137-V148 PolarHBondContact O-N 3.19Å; S137-K195 WeakPolarHBondContact OG-CA 3.09Å; S137-F196 WeakPolarHBondContact O-CD2 3.06Å; S137-F196 WeakPolarHBondContact O-CE2 3.41Å; S137-F196 WeakPolarHBondContact OG-CD2 3.47Å; S137-F196 PolarHBondContact OG-N 2.94Å
138I92.7Very high83.4Confident2 Ų230.9 Ų30.91%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-86132.5174.1-57.9166000109.4F97 P98 P140 L147F97-I138 HydrophobicContact CD1-CD1 4Å; F97-I138 HydrophobicContact CD1-CG2 4.41Å; F97-I138 HydrophobicContact CD2-CD1 3.82Å; F97-I138 HydrophobicContact CE1-CD1 4.11Å; F97-I138 HydrophobicContact CE2-CD1 3.95Å; F97-I138 HydrophobicContact CG-CD1 3.86Å; F97-I138 HydrophobicContact CZ-CD1 4.09Å; P98-I138 HydrophobicContact CG-CB 4.46Å; P98-I138 HydrophobicContact CG-CG2 4.1Å; I138-P140 WeakPolarHBondContact O-CD 3.3Å; I138-L147 HydrophobicContact CG1-CD1 3.73Å
139C93Very high82.7Confident2 Ų226.9 Ų26.91%0.01417%0.165CC..  trans-64.2122.4178.9177.50000111V141 S142 G143 N146 F196C139-V141 VanDerWaalsContact C-N 3.32Å; C139-V141 PolarHBondContact O-N 3.33Å; C139-S142 WeakPolarHBondContact CB-OG 3.43Å; C139-G143 WeakPolarHBondContact O-CA 3.4Å; C139-G143 PolarHBondContact O-N 3.41Å; C139-N146 HydrophobicContact CB-CB 4.31Å; C139-N146 PolarHBondContact N-O 3.47Å; C139-F196 HydrophobicContact CB-CD1 4.44Å; C139-F196 HydrophobicContact CB-CD2 4.27Å; C139-F196 HydrophobicContact CB-CE1 4.18Å; C139-F196 HydrophobicContact CB-CE2 4Å; C139-F196 HydrophobicContact CB-CG 4.48Å; C139-F196 HydrophobicContact CB-CZ 3.96Å
140P89.4Confident81.7Confident24 Ų2426.2 Ų26.216%0.15616%0.161CC..THydrogen-bonded Turntrans-70.7-24.1-17325.8-33.3000114.3P98 N99 I138 F196 T197 S198P98-P140 HydrophobicContact CB-CB 4.07Å; P98-P140 HydrophobicContact CG-CB 4.27Å; N99-P140 PolarHBondContact ND2-O 2.78Å; I138-P140 WeakPolarHBondContact O-CD 3.3Å; P140-F196 HydrophobicContact CG-CB 4.42Å; P140-T197 WeakPolarHBondContact CG-O 3.01Å; P140-S198 WeakPolarHBondContact CG-O 3.33Å
141V87.2Confident81.2Confident105 Ų10524.3 Ų24.364%0.63614%0.137SC*.THydrogen-bonded Turntrans-87.1-43.1-178.6177.70000112C139 G143 D199C139-V141 VanDerWaalsContact C-N 3.32Å; C139-V141 PolarHBondContact O-N 3.33Å; V141-G143 VanDerWaalsContact C-N 3.3Å; V141-D199 VanDerWaalsContact CG2-C 3.46Å; V141-D199 WeakPolarHBondContact CG2-O 3.44Å
142S82.6Confident80.9Confident33 Ų3326.5 Ų26.523%0.23115%0.15CC..THydrogen-bonded Turntrans-76.4-24.3174.667.90000111.9C139 Q144C139-S142 WeakPolarHBondContact CB-OG 3.43Å; S142-Q144 PolarHBondContact O-N 3.06Å
143G66.5Low81Confident10 Ų1025 Ų2510%0.10314%0.141CC..SBendtrans66.9-19.6167.200000116.2F97 C139 V141F97-G143 WeakPolarHBondContact CD1-O 3.5Å; C139-G143 WeakPolarHBondContact O-CA 3.4Å; C139-G143 PolarHBondContact O-N 3.41Å; V141-G143 VanDerWaalsContact C-N 3.3Å
144Q63.7Low81.1Confident96 Ų9625 Ų2545%0.44914%0.141SC..SBendtrans-153.5-6-173.3-60.2-173.18.600113.9S142 L159S142-Q144 PolarHBondContact O-N 3.06Å; Q144-L159 WeakPolarHBondContact O-CB 3.42Å
145E67.7Low81.5Confident62 Ų6224 Ų2429%0.2914%0.137SC..SBendtrans-104.1-35.5-168-59.3-179.6160.800113D158 L159 R160E145-D158 CarbonylContact O-C 3.49Å; E145-D158 WeakPolarHBondContact O-CA 3.48Å; E145-L159 PolarHBondContact O-N 3.34Å; E145-R160 VanDerWaalsContact CD-NH1 3.33Å; E145-R160 IonicContact OE1-CZ 3.06Å; E145-R160 IonicContact OE1-NH1 3.13Å; E145-R160 PolarHBondContact OE1-NH1 2.98Å; E145-R160 IonicContact OE1-NH2 2.59Å; E145-R160 PolarHBondContact OE1-NH2 2.81Å
146N75.8Confident81.7Confident32 Ų3223.6 Ų23.617%0.17114%0.135CC..EExtended strand (participates in β ladder)trans-131127.3-167.7-68.8-74.1000111C139 W157 F217C139-N146 HydrophobicContact CB-CB 4.31Å; C139-N146 PolarHBondContact N-O 3.47Å; N146-W157 WeakPolarHBondContact CA-O 3.49Å; N146-F217 HydrophobicContact CB-CE2 3.99Å; N146-F217 HydrophobicContact CB-CZ 3.65Å
147L81.4Confident81.7Confident0 Ų023.6 Ų23.60%013%0.134CC..EExtended strand (participates in β ladder)trans-120.3147.4175.8172.173.5000108.8M105 L113 I136 S137 I138 V156 W157 L159M105-L147 HydrophobicContact CE-CD2 4.19Å; M105-L147 HydrophobicContact SD-CD1 4.14Å; M105-L147 HydrophobicContact SD-CD2 3.51Å; M105-L147 VanDerWaalsContact SD-CD2 3.51Å; M105-L147 HydrophobicContact SD-CG 4.42Å; L113-L147 HydrophobicContact CD1-CD2 3.35Å; I136-L147 HydrophobicContact CB-CD1 3.79Å; I136-L147 HydrophobicContact CG2-CD1 4.26Å; I136-L147 HydrophobicContact CG2-CD2 4.45Å; S137-L147 WeakPolarHBondContact O-CA 3.35Å; S137-L147 WeakPolarHBondContact O-CD1 3.42Å; I138-L147 HydrophobicContact CG1-CD1 3.73Å; L147-V156 CarbonylContact O-C 3.56Å; L147-V156 WeakPolarHBondContact O-CA 3.29Å; L147-W157 HydrophobicContact CB-CB 4.33Å; L147-W157 PolarHBondContact N-O 2.59Å; L147-W157 PolarHBondContact O-N 3.13Å; L147-L159 HydrophobicContact CB-CD1 4.45Å; L147-L159 HydrophobicContact CB-CD2 3.97Å; L147-L159 HydrophobicContact CB-CG 4.22Å; L147-L159 HydrophobicContact CD2-CD2 4.17Å
148V74.7Confident81.6Confident1 Ų125.2 Ų25.21%0.00614%0.142CC..EExtended strand (participates in β ladder)trans-117.3124.7159.5-168.50000109.6I136 S137 P154 V155 V156 F196 F203 M220I136-V148 CarbonylContact C-O 3.46Å; I136-V148 WeakPolarHBondContact CA-O 3.21Å; S137-V148 PolarHBondContact N-O 3.11Å; S137-V148 PolarHBondContact O-N 3.19Å; V148-P154 HydrophobicContact CG1-CB 3.8Å; V148-V155 CarbonylContact C-O 3.56Å; V148-V155 VanDerWaalsContact CA-O 3.31Å; V148-V155 WeakPolarHBondContact CA-O 3.16Å; V148-V156 HydrophobicContact CG2-CG1 4.38Å; V148-V156 HydrophobicContact CG2-CG2 4.16Å; V148-F196 HydrophobicContact CB-CE2 4.43Å; V148-F196 HydrophobicContact CG2-CE2 3.78Å; V148-F196 HydrophobicContact CG2-CZ 3.69Å; V148-F203 HydrophobicContact CB-CD1 4.03Å; V148-F203 HydrophobicContact CB-CD2 4.26Å; V148-F203 HydrophobicContact CB-CE1 3.64Å; V148-F203 HydrophobicContact CB-CE2 3.93Å; V148-F203 HydrophobicContact CB-CG 4.32Å; V148-F203 HydrophobicContact CB-CZ 3.6Å; V148-F203 HydrophobicContact CG1-CD1 3.79Å; V148-F203 HydrophobicContact CG1-CE1 3.17Å; V148-F203 HydrophobicContact CG1-CE2 4.34Å; V148-F203 HydrophobicContact CG1-CZ 3.51Å; V148-F203 HydrophobicContact CG2-CD1 3.99Å; V148-F203 HydrophobicContact CG2-CD2 4.31Å; V148-F203 HydrophobicContact CG2-CE1 4.13Å; V148-F203 HydrophobicContact CG2-CE2 4.48Å; V148-F203 HydrophobicContact CG2-CG 4.08Å; V148-F203 HydrophobicContact CG2-CZ 4.39Å; V148-M220 HydrophobicContact CG2-CE 3.45Å; V148-M220 VanDerWaalsContact CG2-CE 3.45Å
149A74.4Confident81.4Confident0 Ų026.2 Ų26.20%015%0.148CC..EExtended strand (participates in β ladder)trans-106.6134.3174.600000109.4L113 A133 T135 I136 V155L113-A149 HydrophobicContact CD1-CB 4.44Å; A133-A149 HydrophobicContact CB-CB 4.16Å; T135-A149 CarbonylContact O-C 3.55Å; T135-A149 WeakPolarHBondContact O-CA 3.43Å; I136-A149 HydrophobicContact CG2-CB 4.23Å; A149-V155 PolarHBondContact N-O 3.34Å; A149-V155 PolarHBondContact O-N 2.96Å
150G68.2Low81.1Confident0 Ų034.2 Ų34.20%018%0.177CC..EExtended strand (participates in β ladder)trans-89.4103.4176.600000111.3A133 F134 T135A133-G150 VanDerWaalsContact CA-O 3.29Å; A133-G150 WeakPolarHBondContact CA-O 3.25Å; F134-G150 PolarHBondContact N-O 2.8Å; T135-G150 PolarHBondContact O-N 3.05Å
151I74.8Confident81Confident21 Ų2142 Ų4211%0.10820%0.204CC..SBendtrans-92.7-154165.6-51.6179.1000106.3H153 V155 V191I151-H153 PolarHBondContact N-O 2.81Å; I151-H153 PolarHBondContact O-N 3.4Å; I151-V155 HydrophobicContact CB-CG2 4.42Å; I151-V155 HydrophobicContact CD1-CB 4.38Å; I151-V155 HydrophobicContact CD1-CG2 3.73Å; I151-V155 HydrophobicContact CG1-CG2 4.1Å; I151-V191 WeakPolarHBondContact O-CB 3.34Å; I151-V191 WeakPolarHBondContact O-CG2 3.18Å; I151-V191 PolarHBondContact O-N 3.25Å
152S78.9Confident81Confident55 Ų5539 Ų3939%0.38519%0.185SC..SBendtrans-48.9-16.6159.959.70000113.6
153H85.6Confident81.2Confident32 Ų3246.4 Ų46.415%0.14822%0.216CC..SBendtrans-149.6159.5170.152.4-80000109.8I151 V155 L169 F170I151-H153 PolarHBondContact N-O 2.81Å; I151-H153 PolarHBondContact O-N 3.4Å; H153-V155 PolarHBondContact O-N 2.99Å; H153-L169 WeakPolarHBondContact CB-O 3.45Å; H153-F170 HydrophobicContact CB-CD1 4.47Å; H153-F170 HydrophobicContact CB-CE1 4.39Å; H153-F170 AromaticContact CD2-CE1 3.92Å; H153-F170 AromaticContact CD2-CZ 3.98Å; H153-F170 AromaticContact CG-CE1 3.88Å; H153-F170 AromaticContact NE2-CZ 3.97Å
154P90.3Very high82.2Confident1 Ų155.3 Ų55.31%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-67.2130.5175.9-17.830.1000111.7V148 L169 V191 F203 V205V148-P154 HydrophobicContact CG1-CB 3.8Å; P154-L169 HydrophobicContact CB-CB 4.08Å; P154-L169 HydrophobicContact CB-CD1 4.06Å; P154-L169 HydrophobicContact CB-CG 4.28Å; P154-L169 WeakPolarHBondContact CD-O 3.36Å; P154-L169 HydrophobicContact CG-CB 4.35Å; P154-L169 WeakPolarHBondContact O-CB 3.36Å; P154-L169 PolarHBondContact O-N 3.23Å; P154-V191 HydrophobicContact CG-CG2 3.88Å; P154-F203 HydrophobicContact CB-CE1 4.04Å; P154-V205 HydrophobicContact CB-CG2 4.38Å; P154-V205 HydrophobicContact CG-CB 4.45Å; P154-V205 HydrophobicContact CG-CG1 3.98Å; P154-V205 HydrophobicContact CG-CG2 3.81Å
155V92.1Very high83.5Confident1 Ų152.8 Ų52.81%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-121.1125.2179.6-173.40000109.8V148 A149 I151 H153 W157 P165 Q168V148-V155 CarbonylContact C-O 3.56Å; V148-V155 VanDerWaalsContact CA-O 3.31Å; V148-V155 WeakPolarHBondContact CA-O 3.16Å; A149-V155 PolarHBondContact N-O 3.34Å; A149-V155 PolarHBondContact O-N 2.96Å; I151-V155 HydrophobicContact CB-CG2 4.42Å; I151-V155 HydrophobicContact CD1-CB 4.38Å; I151-V155 HydrophobicContact CD1-CG2 3.73Å; I151-V155 HydrophobicContact CG1-CG2 4.1Å; H153-V155 PolarHBondContact O-N 2.99Å; V155-W157 HydrophobicContact CG1-CZ2 4.35Å; V155-P165 HydrophobicContact CG1-CB 3.3Å; V155-P165 HydrophobicContact CG1-CG 4.18Å; V155-Q168 HydrophobicContact CG1-CG 4.16Å; V155-Q168 HydrophobicContact CG2-CG 4.17Å
156V92Very high84.6Confident6 Ų653 Ų534%0.03625%0.252CS..EExtended strand (participates in β ladder)trans-93.4128.2-178.9-167.10000109.2L147 V148 P165 A166 K167 L169 M220L147-V156 CarbonylContact O-C 3.56Å; L147-V156 WeakPolarHBondContact O-CA 3.29Å; V148-V156 HydrophobicContact CG2-CG1 4.38Å; V148-V156 HydrophobicContact CG2-CG2 4.16Å; V156-P165 CarbonylContact O-C 3.57Å; V156-A166 PolarHBondContact O-N 3.26Å; V156-K167 HydrophobicContact CB-CB 4.06Å; V156-K167 HydrophobicContact CG2-CB 4.04Å; V156-K167 PolarHBondContact N-O 3.37Å; V156-K167 PolarHBondContact O-N 3.1Å; V156-L169 HydrophobicContact CG2-CD1 4.07Å; V156-L169 HydrophobicContact CG2-CD2 4.19Å; V156-L169 HydrophobicContact CG2-CG 4.07Å; V156-M220 HydrophobicContact CB-CE 4.29Å; V156-M220 HydrophobicContact CG1-CE 3.78Å; V156-M220 HydrophobicContact CG2-CE 3.5Å; V156-M220 VanDerWaalsContact CG2-CE 3.5Å; V156-M220 HydrophobicContact CG2-CG 4.08Å; V156-M220 HydrophobicContact CG2-SD 4.4Å
157W92Very high85.4Confident9 Ų955.7 Ų55.73%0.03426%0.262CS..EExtended strand (participates in β ladder)trans-118.8136.2179.7-68.589.8000110.4F127 I129 N146 L147 V155 P165F127-W157 HydrophobicContact CD2-CE3 4.42Å; F127-W157 HydrophobicContact CD2-CZ3 4.35Å; F127-W157 HydrophobicContact CE2-CD2 4.22Å; F127-W157 HydrophobicContact CE2-CE3 4.05Å; F127-W157 HydrophobicContact CE2-CZ3 4.4Å; I129-W157 HydrophobicContact CB-CZ2 3.94Å; I129-W157 HydrophobicContact CG2-CH2 4.24Å; I129-W157 HydrophobicContact CG2-CZ2 3.64Å; N146-W157 WeakPolarHBondContact CA-O 3.49Å; L147-W157 HydrophobicContact CB-CB 4.33Å; L147-W157 PolarHBondContact N-O 2.59Å; L147-W157 PolarHBondContact O-N 3.13Å; V155-W157 HydrophobicContact CG1-CZ2 4.35Å; W157-P165 HydrophobicContact CD2-CB 4.33Å; W157-P165 HydrophobicContact CH2-CB 4.38Å; W157-P165 HydrophobicContact CZ2-CB 4.12Å
158D90.3Very high85.8Confident38 Ų3860.2 Ų60.220%0.20328%0.283CS..EExtended strand (participates in β ladder)trans-88.9113.4162.7-179.1-13.9000107.7E145 R160 R161E145-D158 CarbonylContact O-C 3.49Å; E145-D158 WeakPolarHBondContact O-CA 3.48Å; D158-R160 PolarHBondContact O-N 3.21Å; D158-R160 VanDerWaalsContact O-N 3.13Å; D158-R160 VanDerWaalsContact OD1-CB 3.29Å; D158-R160 WeakPolarHBondContact OD1-CB 3.39Å; D158-R160 PolarHBondContact OD1-N 2.82Å; D158-R161 HydrophobicContact CB-CB 4.35Å; D158-R161 CarbonylContact O-C 3.17Å; D158-R161 WeakPolarHBondContact O-CA 3.18Å; D158-R161 PolarHBondContact O-N 3.28Å
159L89.1Confident86.6Confident23 Ų2360.3 Ų60.312%0.1228%0.283CS..THydrogen-bonded Turntrans-68.5-10.8-176.4-62.5-179000113.2F97 M105 F127 Q144 E145 L147F97-L159 HydrophobicContact CE1-CD1 4.01Å; F97-L159 HydrophobicContact CZ-CD1 4.17Å; M105-L159 HydrophobicContact CE-CD1 3.92Å; M105-L159 HydrophobicContact CE-CD2 3.72Å; F127-L159 HydrophobicContact CE1-CD2 4.42Å; F127-L159 HydrophobicContact CZ-CD2 3.94Å; Q144-L159 WeakPolarHBondContact O-CB 3.42Å; E145-L159 PolarHBondContact O-N 3.34Å; L147-L159 HydrophobicContact CB-CD1 4.45Å; L147-L159 HydrophobicContact CB-CD2 3.97Å; L147-L159 HydrophobicContact CB-CG 4.22Å; L147-L159 HydrophobicContact CD2-CD2 4.17Å
160R86.7Confident87.3Confident169 Ų16966.1 Ų66.164%0.63831%0.309SS*.THydrogen-bonded Turntrans-83.1-16.5169.8-59.3177.5170.3151.23.2112.7E145 D158E145-R160 VanDerWaalsContact CD-NH1 3.33Å; E145-R160 IonicContact OE1-CZ 3.06Å; E145-R160 IonicContact OE1-NH1 3.13Å; E145-R160 PolarHBondContact OE1-NH1 2.98Å; E145-R160 IonicContact OE1-NH2 2.59Å; E145-R160 PolarHBondContact OE1-NH2 2.81Å; D158-R160 PolarHBondContact O-N 3.21Å; D158-R160 VanDerWaalsContact O-N 3.13Å; D158-R160 VanDerWaalsContact OD1-CB 3.29Å; D158-R160 WeakPolarHBondContact OD1-CB 3.39Å; D158-R160 PolarHBondContact OD1-N 2.82Å
161R87.6Confident88.2Confident189 Ų18968 Ų6871%0.71332%0.318SS*.  trans-137.271.1-173.6-64-177.5177.3-172.7-0.1109.8D158 E163D158-R161 HydrophobicContact CB-CB 4.35Å; D158-R161 CarbonylContact O-C 3.17Å; D158-R161 WeakPolarHBondContact O-CA 3.18Å; D158-R161 PolarHBondContact O-N 3.28Å; R161-E163 PolarHBondContact O-N 2.9Å
162T86.2Confident88.4Confident40 Ų4073.2 Ų73.225%0.24534%0.342CS..THydrogen-bonded Turntrans-80.65.6-172.358.10000114.6F127F127-T162 HydrophobicContact CD1-CG2 3.67Å; F127-T162 HydrophobicContact CD2-CG2 4.22Å; F127-T162 HydrophobicContact CE1-CG2 3.7Å; F127-T162 HydrophobicContact CE2-CG2 4.22Å; F127-T162 HydrophobicContact CG-CG2 3.95Å; F127-T162 HydrophobicContact CZ-CG2 3.97Å
163E86.6Confident88.2Confident189 Ų18981.7 Ų81.788%0.88337%0.366SS*.THydrogen-bonded Turntrans-73-29.5-178.9-65.1176.5179.400112.9R161R161-E163 PolarHBondContact O-N 2.9Å
164R89.4Confident87.2Confident197 Ų19782.8 Ų82.874%0.74338%0.376SS*.SBendtrans-153.7153.6-17964.5-179.5-179.2177.9-1.1111.3
165P90.6Very high85.9Confident44 Ų4492.7 Ų92.729%0.28642%0.419SS..  trans-63.7143.417527.9-35.8000111.1V155 V156 W157V155-P165 HydrophobicContact CG1-CB 3.3Å; V155-P165 HydrophobicContact CG1-CG 4.18Å; V156-P165 CarbonylContact O-C 3.57Å; W157-P165 HydrophobicContact CD2-CB 4.33Å; W157-P165 HydrophobicContact CH2-CB 4.38Å; W157-P165 HydrophobicContact CZ2-CB 4.12Å
166A90.6Very high84.2Confident67 Ų67100.7 Ų100.755%0.55445%0.454SS*.SBendtrans-72.8-35.1173.600000111.3V156V156-A166 PolarHBondContact O-N 3.26Å
167K91.4Very high82.3Confident88 Ų88106 Ų10638%0.38349%0.488SS..EExtended strand (participates in β ladder)trans-160145.2179.5-166.4168.1171.6170.20111.8V156 L169 T219 M220V156-K167 HydrophobicContact CB-CB 4.06Å; V156-K167 HydrophobicContact CG2-CB 4.04Å; V156-K167 PolarHBondContact N-O 3.37Å; V156-K167 PolarHBondContact O-N 3.1Å; K167-L169 HydrophobicContact CD-CD2 3.87Å; K167-L169 HydrophobicContact CG-CD2 3.82Å; K167-T219 PolarHBondContact NZ-O 3.46Å; K167-M220 HydrophobicContact CD-CB 3.86Å; K167-M220 HydrophobicContact CD-CG 4.38Å; K167-M220 PolarHBondContact NZ-O 2.7Å
168Q90.8Very high80.5Confident95 Ų95109.5 Ų109.544%0.44451%0.507SS..EExtended strand (participates in β ladder)trans-109.1137167.4-71.6176.7-20.200109.2V155 F170V155-Q168 HydrophobicContact CG1-CG 4.16Å; V155-Q168 HydrophobicContact CG2-CG 4.17Å; Q168-F170 HydrophobicContact CB-CE2 3.73Å; Q168-F170 HydrophobicContact CB-CZ 3.95Å
169L91.4Very high78.7Confident2 Ų2117.3 Ų117.31%0.0154%0.542CS..  trans-109.1127.1-174.2-51.2-172.9000110.2H153 P154 V156 K167 W215 M220H153-L169 WeakPolarHBondContact CB-O 3.45Å; P154-L169 HydrophobicContact CB-CB 4.08Å; P154-L169 HydrophobicContact CB-CD1 4.06Å; P154-L169 HydrophobicContact CB-CG 4.28Å; P154-L169 WeakPolarHBondContact CD-O 3.36Å; P154-L169 HydrophobicContact CG-CB 4.35Å; P154-L169 WeakPolarHBondContact O-CB 3.36Å; P154-L169 PolarHBondContact O-N 3.23Å; V156-L169 HydrophobicContact CG2-CD1 4.07Å; V156-L169 HydrophobicContact CG2-CD2 4.19Å; V156-L169 HydrophobicContact CG2-CG 4.07Å; K167-L169 HydrophobicContact CD-CD2 3.87Å; K167-L169 HydrophobicContact CG-CD2 3.82Å; L169-W215 HydrophobicContact CB-CD2 4.39Å; L169-W215 HydrophobicContact CB-CE3 4.47Å; L169-W215 HydrophobicContact CB-CH2 3.82Å; L169-W215 HydrophobicContact CB-CZ2 3.71Å; L169-W215 HydrophobicContact CB-CZ3 4.2Å; L169-W215 HydrophobicContact CD1-CB 4.48Å; L169-W215 HydrophobicContact CD1-CD2 3.75Å; L169-W215 HydrophobicContact CD1-CE3 4.11Å; L169-W215 HydrophobicContact CD1-CG 3.9Å; L169-W215 HydrophobicContact CD2-CE3 4.35Å; L169-W215 HydrophobicContact CD2-CZ3 4.33Å; L169-M220 HydrophobicContact CD1-CB 4.27Å; L169-M220 HydrophobicContact CD1-CG 4.39Å; L169-M220 HydrophobicContact CD1-SD 4.06Å; L169-M220 HydrophobicContact CD2-CB 3.57Å; L169-M220 HydrophobicContact CD2-CG 4.2Å
170F88.6Confident76.9Confident122 Ų122122.3 Ų122.354%0.53557%0.569SS.*  trans-120.9132.4179.9-60.7-81.2000110.3H153 Q168 W215H153-F170 HydrophobicContact CB-CD1 4.47Å; H153-F170 HydrophobicContact CB-CE1 4.39Å; H153-F170 AromaticContact CD2-CE1 3.92Å; H153-F170 AromaticContact CD2-CZ 3.98Å; H153-F170 AromaticContact CG-CE1 3.88Å; H153-F170 AromaticContact NE2-CZ 3.97Å; Q168-F170 HydrophobicContact CB-CE2 3.73Å; Q168-F170 HydrophobicContact CB-CZ 3.95Å; F170-W215 WeakPolarHBondContact O-CH2 3.42Å
171L86.2Confident75.2Confident39 Ų39118.1 Ų118.120%0.20455%0.554CS.*PPolyproline II helixtrans-57.9144.2171.9-67.7-178.1000110.4E189 Y207 A213 W215 Q225L171-E189 VanDerWaalsContact CD1-OE2 3.23Å; L171-E189 WeakPolarHBondContact CD1-OE2 3.47Å; L171-Y207 HydrophobicContact CD1-CD1 4.5Å; L171-Y207 HydrophobicContact CD1-CD2 4.18Å; L171-Y207 HydrophobicContact CD1-CE1 4.12Å; L171-Y207 HydrophobicContact CD1-CE2 3.78Å; L171-Y207 HydrophobicContact CD2-CE2 3.83Å; L171-Y207 WeakPolarHBondContact CD2-OH 3.32Å; L171-Y207 HydrophobicContact CG-CE1 4.35Å; L171-Y207 HydrophobicContact CG-CE2 4.1Å; L171-A213 HydrophobicContact CD2-CB 3.64Å; L171-W215 HydrophobicContact CD2-CZ2 4.46Å; L171-Q225 HydrophobicContact CD2-CG 4.3Å
172Q80.5Confident73.4Confident131 Ų131117.3 Ų117.361%0.61256%0.563SS**PPolyproline II helixtrans-79.5135172.2-68-176.2-600108.4L222 Q225Q172-L222 HydrophobicContact CB-CD2 4.18Å; Q172-L222 HydrophobicContact CG-CD2 3.95Å; Q172-Q225 PolarHBondContact O-NE2 3.48Å; Q172-Q225 VanDerWaalsContact O-NE2 3.1Å; Q172-Q225 PolarHBondContact O-OE1 2.81Å
173R73.7Confident71.8Confident233 Ų233119.5 Ų119.588%0.87957%0.571SS**PPolyproline II helixtrans-60.5131167.1-70-173.8-179.4178.30.5108K175R173-K175 PolarHBondContact O-N 2.69Å
174P64.2Low70Confident55 Ų55118.3 Ų118.336%0.35757%0.565SS.*PPolyproline II helixtrans-58.9126176.323-30.3000109K176 L178 W181P174-K176 PolarHBondContact O-N 3.49Å; P174-L178 HydrophobicContact CB-CD1 4.25Å; P174-W181 HydrophobicContact CG-CH2 4.33Å
175K63.3Low67.9Low209 Ų209115.5 Ų115.591%0.90957%0.572SS**SBendtrans-67.4-17.4-177.5-71.9-172.7178.3-177.10113.4R173R173-K175 PolarHBondContact O-N 2.69Å
176K57.3Low66.1Low170 Ų170117.3 Ų117.374%0.73958%0.579SS**SBendtrans-126136.9170.7-68.8-174.6176.1-173.30107.4P174 L178P174-K176 PolarHBondContact O-N 3.49Å; K176-L178 PolarHBondContact O-N 3.25Å
177P52.1Low64.5Low117 Ų117122.2 Ų122.276%0.7659%0.591SS**  trans-54.1116.8160.224.5-29.6000105.9E179P177-E179 PolarHBondContact O-N 3.43Å
178L53.7Low63.2Low82 Ų82123.3 Ų123.343%0.42961%0.605SS.*  trans-64129.5169.5-96.9111.2000105P174 K176 D180 W181P174-L178 HydrophobicContact CB-CD1 4.25Å; K176-L178 PolarHBondContact O-N 3.25Å; L178-D180 PolarHBondContact O-N 2.84Å; L178-W181 HydrophobicContact CB-CG 4.1Å; L178-W181 HydrophobicContact CD1-CZ2 4.18Å; L178-W181 VanDerWaalsContact O-CD1 3.23Å; L178-W181 PolarHBondContact O-N 3.36Å; L178-W181 VanDerWaalsContact O-N 3.09Å
179E52.5Low62.5Low202 Ų202120.8 Ų120.894%0.94459%0.593SS**THydrogen-bonded Turntrans-60.40.9-172.1-70.417216100114.8P177P177-E179 PolarHBondContact O-N 3.43Å
180D50.9Low62.1Low129 Ų129125.3 Ų125.369%0.6961%0.61SS**THydrogen-bonded Turntrans-113.717.5178.2-73.6-32.6000113.6L178 D182L178-D180 PolarHBondContact O-N 2.84Å; D180-D182 PolarHBondContact O-N 3Å
181W51.2Low62.1Low81 Ų81119.5 Ų119.531%0.30758%0.584SS.*  trans-95.478.7-176.5-74.550000111.7P174 L178 E183 R211P174-W181 HydrophobicContact CG-CH2 4.33Å; L178-W181 HydrophobicContact CB-CG 4.1Å; L178-W181 HydrophobicContact CD1-CZ2 4.18Å; L178-W181 VanDerWaalsContact O-CD1 3.23Å; L178-W181 PolarHBondContact O-N 3.36Å; L178-W181 VanDerWaalsContact O-N 3.09Å; W181-E183 VanDerWaalsContact C-N 3.28Å; W181-R211 VanDerWaalsContact CH2-NH2 3.3Å
182D50.4Low62Low172 Ų172118.6 Ų118.692%0.9258%0.58SS**  trans-89.917.3169-79.2-24.9000113D180D180-D182 PolarHBondContact O-N 3Å
183E51.4Low62.4Low86 Ų86112.4 Ų112.440%0.40255%0.55SS.*SBendtrans-100.4125.1175-70.7-175.5164.900109.3W181 L186 R210W181-E183 VanDerWaalsContact C-N 3.28Å; E183-L186 HydrophobicContact CB-CD1 3.84Å; E183-L186 HydrophobicContact CG-CD1 4.45Å; E183-L186 WeakPolarHBondContact OE2-CD1 3Å; E183-R210 IonicContact OE1-NH2 3.13Å
184E48.7Very low63.2Low164 Ų164101.6 Ų101.677%0.76651%0.512SS*.  trans-39.2158.9171.2-78.5-173.7153.600112L186E184-L186 WeakPolarHBondContact O-CG 3.33Å; E184-L186 PolarHBondContact O-N 2.81Å
185P46.4Very low64.5Low137 Ų137101.1 Ų101.189%0.8950%0.504SS*.SBendtrans-59.287.9171.526.1-33000109.2Q187P185-Q187 PolarHBondContact O-N 2.87Å
186L53.8Low65.9Low82 Ų8291.5 Ų91.543%0.42946%0.462SS..  trans-67.6137.6-168.8-86.3160.9000108.4E183 E184E183-L186 HydrophobicContact CB-CD1 3.84Å; E183-L186 HydrophobicContact CG-CD1 4.45Å; E183-L186 WeakPolarHBondContact OE2-CD1 3Å; E184-L186 WeakPolarHBondContact O-CG 3.33Å; E184-L186 PolarHBondContact O-N 2.81Å
187Q56.8Low67.6Low170 Ų17083.5 Ų83.579%0.79443%0.428SS*.SBendtrans-31.8154.3172.1-67.9164.1-21.700113.8P185 E189P185-Q187 PolarHBondContact O-N 2.87Å; Q187-E189 PolarHBondContact O-N 2.87Å
188V63Low69.3Low112 Ų11281 Ų8168%0.67941%0.413SS*.  trans-28.6103.5173.6-179.30000111.3R190V188-R190 PolarHBondContact O-N 2.84Å
189E77.4Confident71Confident42 Ų4280.1 Ų80.120%0.19641%0.409CS..  trans-65.7125.4-178.9-67.8177.5-154.100108.6L171 Q187 Y207 S209 R211L171-E189 VanDerWaalsContact CD1-OE2 3.23Å; L171-E189 WeakPolarHBondContact CD1-OE2 3.47Å; Q187-E189 PolarHBondContact O-N 2.87Å; E189-Y207 HydrophobicContact CB-CD1 4.25Å; E189-S209 PolarHBondContact OE2-OG 3.33Å; E189-R211 VanDerWaalsContact CD-NH1 3.26Å; E189-R211 IonicContact OE1-CZ 2.75Å; E189-R211 IonicContact OE1-NE 3.6Å; E189-R211 IonicContact OE1-NH1 3.95Å; E189-R211 PolarHBondContact OE1-NH1 3.34Å; E189-R211 IonicContact OE1-NH2 3.85Å; E189-R211 PolarHBondContact OE1-NH2 3.33Å; E189-R211 IonicContact OE2-CZ 3.63Å; E189-R211 IonicContact OE2-NH1 2.94Å; E189-R211 PolarHBondContact OE2-NH1 2.67Å; E189-R211 VanDerWaalsContact OE2-NH1 3.13Å
190R82.2Confident72.8Confident97 Ų9770.7 Ų70.737%0.36637%0.366SS..  trans-104.2139.6179.4-68.6-175.2-88.2-173.1-6.8110.6V188 I192 Y207 D208 E238V188-R190 PolarHBondContact O-N 2.84Å; R190-I192 PolarHBondContact O-N 2.82Å; R190-Y207 CarbonylContact O-C 3.58Å; R190-Y207 VanDerWaalsContact O-CA 3.23Å; R190-Y207 WeakPolarHBondContact O-CA 3.43Å; R190-D208 PolarHBondContact N-OD1 2.92Å; R190-D208 PolarHBondContact N-OD2 3.08Å; R190-D208 IonicContact NE-OD2 2.73Å; R190-D208 PolarHBondContact O-N 2.96Å; R190-E238 IonicContact CZ-OE1 3.46Å; R190-E238 IonicContact NH1-OE1 3.36Å; R190-E238 PolarHBondContact NH1-OE1 3.49Å; R190-E238 IonicContact NH2-OE1 2.67Å
191V87.9Confident74.8Confident0 Ų072.5 Ų72.50%036%0.363CS..EExtended strand (participates in β ladder)trans-74.6119170.9178.30000108.4T135 I151 P154 V205 Y207T135-V191 HydrophobicContact CG2-CG1 3.6Å; I151-V191 WeakPolarHBondContact O-CB 3.34Å; I151-V191 WeakPolarHBondContact O-CG2 3.18Å; I151-V191 PolarHBondContact O-N 3.25Å; P154-V191 HydrophobicContact CG-CG2 3.88Å; V191-V205 HydrophobicContact CB-CG1 4.33Å; V191-V205 HydrophobicContact CG1-CG1 3.61Å; V191-V205 HydrophobicContact CG2-CG1 3.9Å; V191-Y207 HydrophobicContact CG2-CD1 4.04Å; V191-Y207 HydrophobicContact CG2-CE1 3.68Å
192I85.3Confident76.7Confident20 Ų2072.1 Ų72.110%0.10336%0.361CS..EExtended strand (participates in β ladder)trans-105-19.5-179.357.7169.4000112.6R190 M206 D208 M235 V241R190-I192 PolarHBondContact O-N 2.82Å; I192-M206 HydrophobicContact CD1-CE 3.71Å; I192-M206 HydrophobicContact CD1-CG 4.12Å; I192-M206 HydrophobicContact CG1-CB 4.34Å; I192-M206 HydrophobicContact CG1-CE 4.09Å; I192-M206 HydrophobicContact CG1-CG 4.21Å; I192-M206 WeakPolarHBondContact CG1-O 2.91Å; I192-M206 PolarHBondContact N-O 3.27Å; I192-D208 HydrophobicContact CG2-CB 3.8Å; I192-M235 HydrophobicContact CD1-CE 3.52Å; I192-V241 HydrophobicContact CB-CG2 3.98Å; I192-V241 HydrophobicContact CD1-CG2 3.87Å; I192-V241 HydrophobicContact CG1-CG2 3.86Å; I192-V241 WeakPolarHBondContact O-CG2 3.41Å; I192-V241 PolarHBondContact O-N 2.8Å
193G87.8Confident78.8Confident0 Ų064 Ų640%032%0.318CS..EExtended strand (participates in β ladder)trans-161.6147.7179.300000111.8V205 M206 V241G193-V205 WeakPolarHBondContact O-CA 3.48Å; G193-M206 PolarHBondContact N-O 2.65Å; G193-M206 PolarHBondContact O-N 2.8Å; G193-V241 WeakPolarHBondContact CA-O 3.5Å
194G90.8Very high80.8Confident7 Ų759.9 Ų59.97%0.07230%0.299CS..EExtended strand (participates in β ladder)trans-155.7139.9-178.500000112.4T135 I204T135-G194 PolarHBondContact OG1-N 2.91Å; T135-G194 PolarHBondContact OG1-O 2.75Å; G194-I204 CarbonylContact C-O 3.55Å; G194-I204 WeakPolarHBondContact CA-O 3.07Å
195K91.9Very high82.8Confident45 Ų4552 Ų5220%0.19626%0.262CS..EExtended strand (participates in β ladder)trans-149.6133.9-180-169.4161.1-173.5166.40113S137 I204 I243 E244 I245S137-K195 WeakPolarHBondContact OG-CA 3.09Å; K195-I204 PolarHBondContact N-O 2.7Å; K195-I204 PolarHBondContact O-N 3.24Å; K195-I243 HydrophobicContact CB-CD1 4.18Å; K195-I243 HydrophobicContact CB-CG1 3.99Å; K195-I243 WeakPolarHBondContact CD-O 3.43Å; K195-E244 IonicContact NZ-OE1 2.67Å; K195-E244 PolarHBondContact NZ-OE1 3.11Å; K195-E244 IonicContact NZ-OE2 2.7Å; K195-E244 PolarHBondContact NZ-OE2 3.04Å; K195-I245 HydrophobicContact CB-CD1 4.01Å; K195-I245 HydrophobicContact CD-CD1 4.4Å; K195-I245 HydrophobicContact CD-CG1 4.42Å; K195-I245 HydrophobicContact CG-CD1 3.98Å; K195-I245 HydrophobicContact CG-CG1 4.49Å
196F92.5Very high84.9Confident7 Ų745.8 Ų45.83%0.03122%0.221CC..EExtended strand (participates in β ladder)trans-71.5143.7165.5-85.1-77.7000111.5S137 C139 P140 V148 R202 F203 F217 M220S137-F196 WeakPolarHBondContact O-CD2 3.06Å; S137-F196 WeakPolarHBondContact O-CE2 3.41Å; S137-F196 WeakPolarHBondContact OG-CD2 3.47Å; S137-F196 PolarHBondContact OG-N 2.94Å; C139-F196 HydrophobicContact CB-CD1 4.44Å; C139-F196 HydrophobicContact CB-CD2 4.27Å; C139-F196 HydrophobicContact CB-CE1 4.18Å; C139-F196 HydrophobicContact CB-CE2 4Å; C139-F196 HydrophobicContact CB-CG 4.48Å; C139-F196 HydrophobicContact CB-CZ 3.96Å; P140-F196 HydrophobicContact CG-CB 4.42Å; V148-F196 HydrophobicContact CB-CE2 4.43Å; V148-F196 HydrophobicContact CG2-CE2 3.78Å; V148-F196 HydrophobicContact CG2-CZ 3.69Å; F196-R202 CarbonylContact C-O 3.47Å; F196-R202 WeakPolarHBondContact CA-O 3.13Å; F196-R202 WeakPolarHBondContact CD1-O 3.41Å; F196-F203 HydrophobicContact CD1-CB 4.02Å; F196-F203 HydrophobicContact CD1-CD2 4.43Å; F196-F203 AromaticContact CD2-CD2 3.97Å; F196-F203 HydrophobicContact CD2-CD2 3.97Å; F196-F203 HydrophobicContact CE1-CB 3.82Å; F196-F203 HydrophobicContact CE1-CG 4.5Å; F196-F203 HydrophobicContact CE2-CD2 4.08Å; F196-F203 HydrophobicContact CG-CD2 4.15Å; F196-F203 HydrophobicContact CZ-CB 4.19Å; F196-F203 HydrophobicContact CZ-CD2 4.37Å; F196-F203 HydrophobicContact CZ-CG 4.45Å; F196-F217 HydrophobicContact CE1-CB 4.06Å; F196-F217 HydrophobicContact CE1-CD1 4.5Å; F196-F217 AromaticContact CE1-CD2 3.68Å; F196-F217 HydrophobicContact CE1-CD2 3.68Å; F196-F217 HydrophobicContact CE1-CE2 4.29Å; F196-F217 AromaticContact CE1-CG 3.81Å; F196-F217 HydrophobicContact CE1-CG 3.81Å; F196-F217 AromaticContact CZ-CD2 3.92Å; F196-F217 HydrophobicContact CZ-CD2 3.92Å; F196-F217 HydrophobicContact CZ-CE2 4.15Å; F196-F217 HydrophobicContact CZ-CG 4.47Å; F196-M220 HydrophobicContact CZ-CE 4.26Å
197T92.1Very high86.5Confident1 Ų142.1 Ų42.11%0.00620%0.202CC..  trans-64.9151162.751.50000109.8P140 D199 G200 R201 R202 I204 I245 E247 F251P140-T197 WeakPolarHBondContact CG-O 3.01Å; T197-D199 VanDerWaalsContact CB-OD1 3.29Å; T197-D199 WeakPolarHBondContact CB-OD1 2.97Å; T197-D199 PolarHBondContact O-N 3.25Å; T197-D199 PolarHBondContact OG1-OD1 2.9Å; T197-G200 WeakPolarHBondContact O-CA 3.38Å; T197-G200 PolarHBondContact O-N 3.05Å; T197-R201 PolarHBondContact OG1-N 2.91Å; T197-R202 HydrophobicContact CG2-CB 3.89Å; T197-R202 PolarHBondContact N-O 3.46Å; T197-R202 PolarHBondContact OG1-N 3.21Å; T197-R202 PolarHBondContact OG1-O 2.56Å; T197-I204 HydrophobicContact CG2-CD1 4.32Å; T197-I245 HydrophobicContact CG2-CD1 4.32Å; T197-E247 WeakPolarHBondContact CB-OE2 3.43Å; T197-F251 HydrophobicContact CG2-CD2 3.9Å; T197-F251 HydrophobicContact CG2-CE2 3.89Å
198S87.8Confident87.7Confident66 Ų6635.8 Ų35.846%0.46217%0.173SC..THydrogen-bonded Turntrans-65.3-23-176.770.50000112.7P140 G200 E247P140-S198 WeakPolarHBondContact CG-O 3.33Å; S198-G200 PolarHBondContact O-N 2.82Å; S198-E247 VanDerWaalsContact CB-OE1 3.3Å; S198-E247 WeakPolarHBondContact CB-OE1 3.4Å; S198-E247 PolarHBondContact N-OE1 2.6Å; S198-E247 PolarHBondContact N-OE2 2.94Å; S198-E247 PolarHBondContact OG-OE1 2.9Å; S198-E247 PolarHBondContact OG-OE2 3.25Å; S198-E247 VanDerWaalsContact OG-OE2 3.05Å
199D90.1Very high88.5Confident62 Ų6231.2 Ų31.233%0.33215%0.146SC..THydrogen-bonded Turntrans-77.8-2.8169.474-5.1000113.9V141 T197 R201V141-D199 VanDerWaalsContact CG2-C 3.46Å; V141-D199 WeakPolarHBondContact CG2-O 3.44Å; T197-D199 VanDerWaalsContact CB-OD1 3.29Å; T197-D199 WeakPolarHBondContact CB-OD1 2.97Å; T197-D199 PolarHBondContact O-N 3.25Å; T197-D199 PolarHBondContact OG1-OD1 2.9Å; D199-R201 HydrophobicContact CB-CG 4.26Å; D199-R201 WeakPolarHBondContact O-CG 3.02Å; D199-R201 PolarHBondContact O-N 2.67Å; D199-R201 VanDerWaalsContact O-N 3.11Å; D199-R201 WeakPolarHBondContact OD1-CB 3.42Å; D199-R201 PolarHBondContact OD1-N 2.8Å; D199-R201 VanDerWaalsContact OD2-CD 3.29Å; D199-R201 WeakPolarHBondContact OD2-CD 3.44Å; D199-R201 WeakPolarHBondContact OD2-CG 3.43Å
200G90.7Very high88.6Confident4 Ų431.9 Ų31.94%0.04115%0.147CC..SBendtrans64.19.9-17900000114.9T197 S198 F217T197-G200 WeakPolarHBondContact O-CA 3.38Å; T197-G200 PolarHBondContact O-N 3.05Å; S198-G200 PolarHBondContact O-N 2.82Å; G200-F217 WeakPolarHBondContact O-CB 3.43Å; G200-F217 VanDerWaalsContact O-CD1 3.23Å; G200-F217 WeakPolarHBondContact O-CD1 3.43Å
201R91.7Very high88.8Confident167 Ų16728.7 Ų28.763%0.6314%0.135SC*.SBendtrans-88.6-16.4-174.1-63.2-173.1177.9177.7-4.7113.7T197 D199 F217T197-R201 PolarHBondContact OG1-N 2.91Å; D199-R201 HydrophobicContact CB-CG 4.26Å; D199-R201 WeakPolarHBondContact O-CG 3.02Å; D199-R201 PolarHBondContact O-N 2.67Å; D199-R201 VanDerWaalsContact O-N 3.11Å; D199-R201 WeakPolarHBondContact OD1-CB 3.42Å; D199-R201 PolarHBondContact OD1-N 2.8Å; D199-R201 VanDerWaalsContact OD2-CD 3.29Å; D199-R201 WeakPolarHBondContact OD2-CD 3.44Å; D199-R201 WeakPolarHBondContact OD2-CG 3.43Å; R201-F217 PolarHBondContact O-N 3.48Å
202R92.7Very high88.9Confident73 Ų7328.8 Ų28.828%0.27514%0.135SC..EExtended strand (participates in β ladder)trans-137.9145.9179.5-65176.7-174.376.9-1.2111.4F196 T197 W215F196-R202 CarbonylContact C-O 3.47Å; F196-R202 WeakPolarHBondContact CA-O 3.13Å; F196-R202 WeakPolarHBondContact CD1-O 3.41Å; T197-R202 HydrophobicContact CG2-CB 3.89Å; T197-R202 PolarHBondContact N-O 3.46Å; T197-R202 PolarHBondContact OG1-N 3.21Å; T197-R202 PolarHBondContact OG1-O 2.56Å; R202-W215 CarbonylContact C-O 3.6Å; R202-W215 WeakPolarHBondContact CA-O 3.2Å
203F93.4Very high89.2Confident1 Ų127.8 Ų27.80%0.00413%0.13CC..EExtended strand (participates in β ladder)trans-115.3120.5168.6178.2-117.2000109V148 P154 F196 V205 A214 W215V148-F203 HydrophobicContact CB-CD1 4.03Å; V148-F203 HydrophobicContact CB-CD2 4.26Å; V148-F203 HydrophobicContact CB-CE1 3.64Å; V148-F203 HydrophobicContact CB-CE2 3.93Å; V148-F203 HydrophobicContact CB-CG 4.32Å; V148-F203 HydrophobicContact CB-CZ 3.6Å; V148-F203 HydrophobicContact CG1-CD1 3.79Å; V148-F203 HydrophobicContact CG1-CE1 3.17Å; V148-F203 HydrophobicContact CG1-CE2 4.34Å; V148-F203 HydrophobicContact CG1-CZ 3.51Å; V148-F203 HydrophobicContact CG2-CD1 3.99Å; V148-F203 HydrophobicContact CG2-CD2 4.31Å; V148-F203 HydrophobicContact CG2-CE1 4.13Å; V148-F203 HydrophobicContact CG2-CE2 4.48Å; V148-F203 HydrophobicContact CG2-CG 4.08Å; V148-F203 HydrophobicContact CG2-CZ 4.39Å; P154-F203 HydrophobicContact CB-CE1 4.04Å; F196-F203 HydrophobicContact CD1-CB 4.02Å; F196-F203 HydrophobicContact CD1-CD2 4.43Å; F196-F203 AromaticContact CD2-CD2 3.97Å; F196-F203 HydrophobicContact CD2-CD2 3.97Å; F196-F203 HydrophobicContact CE1-CB 3.82Å; F196-F203 HydrophobicContact CE1-CG 4.5Å; F196-F203 HydrophobicContact CE2-CD2 4.08Å; F196-F203 HydrophobicContact CG-CD2 4.15Å; F196-F203 HydrophobicContact CZ-CB 4.19Å; F196-F203 HydrophobicContact CZ-CD2 4.37Å; F196-F203 HydrophobicContact CZ-CG 4.45Å; F203-V205 HydrophobicContact CD1-CG2 3.54Å; F203-V205 HydrophobicContact CE1-CB 4.49Å; F203-V205 HydrophobicContact CE1-CG2 3.04Å; F203-V205 HydrophobicContact CZ-CG2 3.67Å; F203-A214 WeakPolarHBondContact O-CA 3.26Å; F203-W215 HydrophobicContact CB-CB 4.49Å; F203-W215 PolarHBondContact N-O 2.91Å; F203-W215 PolarHBondContact O-N 3.11Å
204I93.6Very high89.5Confident0 Ų027.9 Ų27.90%013%0.131CC..EExtended strand (participates in β ladder)trans-102.7133.8-178.6-55.3176.5000108.1G194 K195 T197 A213 A214 I245 F251 L256 F269G194-I204 CarbonylContact C-O 3.55Å; G194-I204 WeakPolarHBondContact CA-O 3.07Å; K195-I204 PolarHBondContact N-O 2.7Å; K195-I204 PolarHBondContact O-N 3.24Å; T197-I204 HydrophobicContact CG2-CD1 4.32Å; I204-A213 CarbonylContact C-O 3.17Å; I204-A213 WeakPolarHBondContact CA-O 3.49Å; I204-A214 HydrophobicContact CG1-CB 4.32Å; I204-I245 HydrophobicContact CB-CD1 4.38Å; I204-I245 HydrophobicContact CD1-CD1 3.37Å; I204-I245 HydrophobicContact CD1-CG1 3.96Å; I204-I245 HydrophobicContact CD1-CG2 4.45Å; I204-I245 HydrophobicContact CG1-CD1 4.12Å; I204-F251 HydrophobicContact CD1-CE2 3.61Å; I204-F251 HydrophobicContact CD1-CZ 3.93Å; I204-F251 HydrophobicContact CG1-CE2 4.39Å; I204-F251 HydrophobicContact CG1-CZ 4.44Å; I204-L256 HydrophobicContact CG2-CD1 4.43Å; I204-F269 HydrophobicContact CD1-CE1 4.4Å; I204-F269 HydrophobicContact CD1-CE2 3.88Å; I204-F269 HydrophobicContact CD1-CZ 3.54Å; I204-F269 HydrophobicContact CG1-CZ 4.43Å; I204-F269 HydrophobicContact CG2-CZ 4.15Å
205V92Very high89.6Confident0 Ų028.1 Ų28.10%013%0.129CC..EExtended strand (participates in β ladder)trans-125.6140.6-177.9-176.60000109P154 V191 G193 F203 Y207 I212 A213P154-V205 HydrophobicContact CB-CG2 4.38Å; P154-V205 HydrophobicContact CG-CB 4.45Å; P154-V205 HydrophobicContact CG-CG1 3.98Å; P154-V205 HydrophobicContact CG-CG2 3.81Å; V191-V205 HydrophobicContact CB-CG1 4.33Å; V191-V205 HydrophobicContact CG1-CG1 3.61Å; V191-V205 HydrophobicContact CG2-CG1 3.9Å; G193-V205 WeakPolarHBondContact O-CA 3.48Å; F203-V205 HydrophobicContact CD1-CG2 3.54Å; F203-V205 HydrophobicContact CE1-CB 4.49Å; F203-V205 HydrophobicContact CE1-CG2 3.04Å; F203-V205 HydrophobicContact CZ-CG2 3.67Å; V205-Y207 HydrophobicContact CB-CE2 4.12Å; V205-Y207 HydrophobicContact CG1-CD2 4.21Å; V205-Y207 HydrophobicContact CG1-CE1 4.14Å; V205-Y207 HydrophobicContact CG1-CE2 3.68Å; V205-I212 CarbonylContact O-C 3.4Å; V205-I212 WeakPolarHBondContact O-CA 3.49Å; V205-A213 PolarHBondContact N-O 2.86Å; V205-A213 PolarHBondContact O-N 2.85Å
206M89.8Confident89.6Confident5 Ų526.8 Ų26.83%0.02513%0.127CC..EExtended strand (participates in β ladder)trans-116.6136.4168.9-168.5167.470.500109.8I192 G193 R211 I212 M228 V241 I243 Y258I192-M206 HydrophobicContact CD1-CE 3.71Å; I192-M206 HydrophobicContact CD1-CG 4.12Å; I192-M206 HydrophobicContact CG1-CB 4.34Å; I192-M206 HydrophobicContact CG1-CE 4.09Å; I192-M206 HydrophobicContact CG1-CG 4.21Å; I192-M206 WeakPolarHBondContact CG1-O 2.91Å; I192-M206 PolarHBondContact N-O 3.27Å; G193-M206 PolarHBondContact N-O 2.65Å; G193-M206 PolarHBondContact O-N 2.8Å; M206-R211 WeakPolarHBondContact CA-O 3.2Å; M206-I212 HydrophobicContact CB-CG2 4.49Å; M206-I212 HydrophobicContact CG-CG2 4.25Å; M206-M228 HydrophobicContact CG-CE 4.14Å; M206-M228 HydrophobicContact SD-CE 3.77Å; M206-V241 HydrophobicContact CE-CB 4.41Å; M206-V241 HydrophobicContact CE-CG2 3.27Å; M206-I243 HydrophobicContact CB-CG2 4.47Å; M206-I243 HydrophobicContact CE-CG2 3.46Å; M206-I243 VanDerWaalsContact CE-CG2 3.46Å; M206-I243 HydrophobicContact SD-CG2 4.12Å; M206-Y258 HydrophobicContact CE-CD2 4.46Å; M206-Y258 HydrophobicContact SD-CD2 3.84Å; M206-Y258 HydrophobicContact SD-CG 3.95Å
207Y87.4Confident89.6Confident6 Ų628.2 Ų28.22%0.02413%0.133CC..EExtended strand (participates in β ladder)trans-108.8154.3178.8-58.2-94.5000110.5L171 E189 R190 V191 V205 S209 R210 R211 A213L171-Y207 HydrophobicContact CD1-CD1 4.5Å; L171-Y207 HydrophobicContact CD1-CD2 4.18Å; L171-Y207 HydrophobicContact CD1-CE1 4.12Å; L171-Y207 HydrophobicContact CD1-CE2 3.78Å; L171-Y207 HydrophobicContact CD2-CE2 3.83Å; L171-Y207 WeakPolarHBondContact CD2-OH 3.32Å; L171-Y207 HydrophobicContact CG-CE1 4.35Å; L171-Y207 HydrophobicContact CG-CE2 4.1Å; E189-Y207 HydrophobicContact CB-CD1 4.25Å; R190-Y207 CarbonylContact O-C 3.58Å; R190-Y207 VanDerWaalsContact O-CA 3.23Å; R190-Y207 WeakPolarHBondContact O-CA 3.43Å; V191-Y207 HydrophobicContact CG2-CD1 4.04Å; V191-Y207 HydrophobicContact CG2-CE1 3.68Å; V205-Y207 HydrophobicContact CB-CE2 4.12Å; V205-Y207 HydrophobicContact CG1-CD2 4.21Å; V205-Y207 HydrophobicContact CG1-CE1 4.14Å; V205-Y207 HydrophobicContact CG1-CE2 3.68Å; Y207-S209 PolarHBondContact O-N 3.19Å; Y207-R210 PolarHBondContact O-N 2.73Å; Y207-R211 HydrophobicContact CD2-CB 4.01Å; Y207-R211 WeakPolarHBondContact CD2-O 3.31Å; Y207-R211 PolarHBondContact N-O 3.34Å; Y207-A213 HydrophobicContact CE2-CB 3.94Å
208D82.1Confident89.5Confident37 Ų3732.9 Ų32.920%0.19816%0.163CC..THydrogen-bonded Turntrans-56.2-30.1173.159.8-6000113R190 I192 R210R190-D208 PolarHBondContact N-OD1 2.92Å; R190-D208 PolarHBondContact N-OD2 3.08Å; R190-D208 IonicContact NE-OD2 2.73Å; R190-D208 PolarHBondContact O-N 2.96Å; I192-D208 HydrophobicContact CG2-CB 3.8Å; D208-R210 PolarHBondContact O-N 2.91Å
209S78.8Confident89.7Confident16 Ų1633.7 Ų33.711%0.11217%0.166CC..THydrogen-bonded Turntrans-68.311.6171.667.60000114.8E189 Y207 R211E189-S209 PolarHBondContact OE2-OG 3.33Å; Y207-S209 PolarHBondContact O-N 3.19Å; S209-R211 PolarHBondContact O-N 3.15Å; S209-R211 VanDerWaalsContact O-N 3.13Å; S209-R211 WeakPolarHBondContact OG-CG 3.42Å
210R79.5Confident89.8Confident55 Ų5531 Ų3121%0.20815%0.151CC..SBendtrans60.721.5-179.3-46.7175.2-140.6156.218113E183 Y207 D208 M228 I232E183-R210 IonicContact OE1-NH2 3.13Å; Y207-R210 PolarHBondContact O-N 2.73Å; D208-R210 PolarHBondContact O-N 2.91Å; R210-M228 WeakPolarHBondContact O-CB 3.48Å; R210-M228 PolarHBondContact O-N 2.74Å; R210-I232 WeakPolarHBondContact CD-O 3.25Å; R210-I232 PolarHBondContact NE-O 2.97Å; R210-I232 PolarHBondContact NH1-O 2.89Å
211R86.8Confident89.9Confident31 Ų3133.9 Ų33.912%0.11717%0.168CC..EExtended strand (participates in β ladder)trans-90.3148.1173.1-65.8-174.9-171.6158.220.4110W181 E189 M206 Y207 S209 R226W181-R211 VanDerWaalsContact CH2-NH2 3.3Å; E189-R211 VanDerWaalsContact CD-NH1 3.26Å; E189-R211 IonicContact OE1-CZ 2.75Å; E189-R211 IonicContact OE1-NE 3.6Å; E189-R211 IonicContact OE1-NH1 3.95Å; E189-R211 PolarHBondContact OE1-NH1 3.34Å; E189-R211 IonicContact OE1-NH2 3.85Å; E189-R211 PolarHBondContact OE1-NH2 3.33Å; E189-R211 IonicContact OE2-CZ 3.63Å; E189-R211 IonicContact OE2-NH1 2.94Å; E189-R211 PolarHBondContact OE2-NH1 2.67Å; E189-R211 VanDerWaalsContact OE2-NH1 3.13Å; M206-R211 WeakPolarHBondContact CA-O 3.2Å; Y207-R211 HydrophobicContact CD2-CB 4.01Å; Y207-R211 WeakPolarHBondContact CD2-O 3.31Å; Y207-R211 PolarHBondContact N-O 3.34Å; S209-R211 PolarHBondContact O-N 3.15Å; S209-R211 VanDerWaalsContact O-N 3.13Å; S209-R211 WeakPolarHBondContact OG-CG 3.42Å; R211-R226 CarbonylContact C-O 3.47Å; R211-R226 WeakPolarHBondContact CA-O 3.23Å
212I90.1Very high89.9Confident1 Ų127.3 Ų27.31%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-118.8145.9166.261.3170.1000109.4V205 M206 L224 Q225 R226 M228 L256 F267 F269V205-I212 CarbonylContact O-C 3.4Å; V205-I212 WeakPolarHBondContact O-CA 3.49Å; M206-I212 HydrophobicContact CB-CG2 4.49Å; M206-I212 HydrophobicContact CG-CG2 4.25Å; I212-L224 HydrophobicContact CD1-CD2 4.06Å; I212-L224 HydrophobicContact CG1-CD2 4.12Å; I212-Q225 WeakPolarHBondContact O-CA 3.35Å; I212-R226 HydrophobicContact CD1-CB 4.42Å; I212-R226 HydrophobicContact CG1-CB 3.99Å; I212-R226 PolarHBondContact N-O 2.82Å; I212-R226 PolarHBondContact O-N 2.93Å; I212-M228 HydrophobicContact CG1-CG 4.49Å; I212-M228 HydrophobicContact CG2-CE 3.69Å; I212-M228 HydrophobicContact CG2-CG 4.17Å; I212-M228 HydrophobicContact CG2-SD 3.6Å; I212-L256 HydrophobicContact CD1-CD2 4.45Å; I212-L256 HydrophobicContact CG2-CD2 3.76Å; I212-F267 HydrophobicContact CD1-CD1 3.7Å; I212-F267 HydrophobicContact CD1-CD2 4.26Å; I212-F267 HydrophobicContact CD1-CE1 3.34Å; I212-F267 HydrophobicContact CD1-CE2 3.94Å; I212-F267 HydrophobicContact CD1-CG 4.16Å; I212-F267 HydrophobicContact CD1-CZ 3.48Å; I212-F267 VanDerWaalsContact CD1-CZ 3.48Å; I212-F269 HydrophobicContact CD1-CE1 4.13Å
213A92.1Very high89.9Confident0 Ų030.4 Ų30.40%016%0.161CC..EExtended strand (participates in β ladder)trans-133.1142.8170.300000110.4L171 I204 V205 Y207 L222 L224L171-A213 HydrophobicContact CD2-CB 3.64Å; I204-A213 CarbonylContact C-O 3.17Å; I204-A213 WeakPolarHBondContact CA-O 3.49Å; V205-A213 PolarHBondContact N-O 2.86Å; V205-A213 PolarHBondContact O-N 2.85Å; Y207-A213 HydrophobicContact CE2-CB 3.94Å; A213-L222 HydrophobicContact CB-CD1 3.9Å; A213-L224 CarbonylContact C-O 3.56Å; A213-L224 WeakPolarHBondContact CA-O 3.39Å
214A93.1Very high89.8Confident1 Ų131.5 Ų31.51%0.00817%0.167CC..EExtended strand (participates in β ladder)trans-119.5127.9169.900000110F203 I204 K223 L224 F251F203-A214 WeakPolarHBondContact O-CA 3.26Å; I204-A214 HydrophobicContact CG1-CB 4.32Å; A214-K223 PolarHBondContact O-N 2.81Å; A214-L224 HydrophobicContact CB-CB 3.96Å; A214-L224 HydrophobicContact CB-CD2 4.44Å; A214-L224 PolarHBondContact N-O 2.92Å; A214-L224 PolarHBondContact O-N 3.17Å; A214-F251 HydrophobicContact CB-CZ 4.37Å
215W93.7Very high89.6Confident12 Ų1234.1 Ų34.15%0.04518%0.179CC..EExtended strand (participates in β ladder)trans-108.4132.5179.9-59.989000109.3L169 F170 L171 R202 F203 M220 L222L169-W215 HydrophobicContact CB-CD2 4.39Å; L169-W215 HydrophobicContact CB-CE3 4.47Å; L169-W215 HydrophobicContact CB-CH2 3.82Å; L169-W215 HydrophobicContact CB-CZ2 3.71Å; L169-W215 HydrophobicContact CB-CZ3 4.2Å; L169-W215 HydrophobicContact CD1-CB 4.48Å; L169-W215 HydrophobicContact CD1-CD2 3.75Å; L169-W215 HydrophobicContact CD1-CE3 4.11Å; L169-W215 HydrophobicContact CD1-CG 3.9Å; L169-W215 HydrophobicContact CD2-CE3 4.35Å; L169-W215 HydrophobicContact CD2-CZ3 4.33Å; F170-W215 WeakPolarHBondContact O-CH2 3.42Å; L171-W215 HydrophobicContact CD2-CZ2 4.46Å; R202-W215 CarbonylContact C-O 3.6Å; R202-W215 WeakPolarHBondContact CA-O 3.2Å; F203-W215 HydrophobicContact CB-CB 4.49Å; F203-W215 PolarHBondContact N-O 2.91Å; F203-W215 PolarHBondContact O-N 3.11Å; W215-M220 HydrophobicContact CB-SD 4.19Å; W215-L222 HydrophobicContact CD2-CB 4.46Å; W215-L222 HydrophobicContact CD2-CD1 4.04Å; W215-L222 HydrophobicContact CE3-CB 3.89Å; W215-L222 HydrophobicContact CE3-CD1 4.32Å; W215-L222 VanDerWaalsContact CE3-N 3.33Å; W215-L222 HydrophobicContact CH2-CB 4Å; W215-L222 HydrophobicContact CH2-CD1 4.12Å; W215-L222 HydrophobicContact CH2-CG 4.49Å; W215-L222 HydrophobicContact CZ2-CD1 3.83Å; W215-L222 HydrophobicContact CZ3-CB 3.66Å; W215-L222 HydrophobicContact CZ3-CD1 4.36Å
216A92.9Very high89.4Confident17 Ų1739.3 Ų39.314%0.1420%0.198CC..EExtended strand (participates in β ladder)trans-74.1129.5170.500000110.1T219 M220 T221 K223A216-T219 PolarHBondContact O-OG1 3.35Å; A216-M220 WeakPolarHBondContact O-CA 3.46Å; A216-M220 PolarHBondContact O-N 3.27Å; A216-T221 PolarHBondContact N-O 3.32Å; A216-T221 PolarHBondContact O-N 3.47Å; A216-K223 HydrophobicContact CB-CD 4.21Å; A216-K223 VanDerWaalsContact CB-CE 3.49Å; A216-K223 HydrophobicContact CB-CG 3.68Å
217F91.1Very high89.2Confident37 Ų3740 Ų4016%0.16220%0.204CC..THydrogen-bonded Turntrans-101.4142.2175-172.8-93000110N146 F196 G200 R201 M220N146-F217 HydrophobicContact CB-CE2 3.99Å; N146-F217 HydrophobicContact CB-CZ 3.65Å; F196-F217 HydrophobicContact CE1-CB 4.06Å; F196-F217 HydrophobicContact CE1-CD1 4.5Å; F196-F217 AromaticContact CE1-CD2 3.68Å; F196-F217 HydrophobicContact CE1-CD2 3.68Å; F196-F217 HydrophobicContact CE1-CE2 4.29Å; F196-F217 AromaticContact CE1-CG 3.81Å; F196-F217 HydrophobicContact CE1-CG 3.81Å; F196-F217 AromaticContact CZ-CD2 3.92Å; F196-F217 HydrophobicContact CZ-CD2 3.92Å; F196-F217 HydrophobicContact CZ-CE2 4.15Å; F196-F217 HydrophobicContact CZ-CG 4.47Å; G200-F217 WeakPolarHBondContact O-CB 3.43Å; G200-F217 VanDerWaalsContact O-CD1 3.23Å; G200-F217 WeakPolarHBondContact O-CD1 3.43Å; R201-F217 PolarHBondContact O-N 3.48Å; F217-M220 HydrophobicContact CD2-CE 3.39Å; F217-M220 HydrophobicContact CD2-SD 3.88Å; F217-M220 HydrophobicContact CE2-CE 3.78Å
218P90.2Very high88.9Confident99 Ų9940 Ų4064%0.64320%0.204SC*.THydrogen-bonded Turncis-88.1-6.65.234.7-36.3000115.1M220P218-M220 PolarHBondContact O-N 3.1Å; P218-M220 VanDerWaalsContact O-N 3.1Å
219T91.8Very high88.2Confident83 Ų8342.1 Ų42.151%0.50921%0.213SC..THydrogen-bonded Turntrans-65.8-19-174.265.60000113.4K167 A216 T221K167-T219 PolarHBondContact NZ-O 3.46Å; A216-T219 PolarHBondContact O-OG1 3.35Å; T219-T221 WeakPolarHBondContact CB-OG1 3.46Å; T219-T221 PolarHBondContact O-N 3.12Å; T219-T221 PolarHBondContact OG1-N 2.8Å; T219-T221 PolarHBondContact OG1-OG1 2.84Å
220M92.1Very high87.2Confident5 Ų552 Ų523%0.02525%0.247CC..THydrogen-bonded Turntrans46.349.8-170.1-61.6-63-155.100111.2V148 V156 K167 L169 F196 W215 A216 F217 P218V148-M220 HydrophobicContact CG2-CE 3.45Å; V148-M220 VanDerWaalsContact CG2-CE 3.45Å; V156-M220 HydrophobicContact CB-CE 4.29Å; V156-M220 HydrophobicContact CG1-CE 3.78Å; V156-M220 HydrophobicContact CG2-CE 3.5Å; V156-M220 VanDerWaalsContact CG2-CE 3.5Å; V156-M220 HydrophobicContact CG2-CG 4.08Å; V156-M220 HydrophobicContact CG2-SD 4.4Å; K167-M220 HydrophobicContact CD-CB 3.86Å; K167-M220 HydrophobicContact CD-CG 4.38Å; K167-M220 PolarHBondContact NZ-O 2.7Å; L169-M220 HydrophobicContact CD1-CB 4.27Å; L169-M220 HydrophobicContact CD1-CG 4.39Å; L169-M220 HydrophobicContact CD1-SD 4.06Å; L169-M220 HydrophobicContact CD2-CB 3.57Å; L169-M220 HydrophobicContact CD2-CG 4.2Å; F196-M220 HydrophobicContact CZ-CE 4.26Å; W215-M220 HydrophobicContact CB-SD 4.19Å; A216-M220 WeakPolarHBondContact O-CA 3.46Å; A216-M220 PolarHBondContact O-N 3.27Å; F217-M220 HydrophobicContact CD2-CE 3.39Å; F217-M220 HydrophobicContact CD2-SD 3.88Å; F217-M220 HydrophobicContact CE2-CE 3.78Å; P218-M220 PolarHBondContact O-N 3.1Å; P218-M220 VanDerWaalsContact O-N 3.1Å
221T92.8Very high85.9Confident65 Ų6553.1 Ų53.140%0.39928%0.276SS..EExtended strand (participates in β ladder)trans-91.2127.5173.3-50.60000108.3A216 T219 K223A216-T221 PolarHBondContact N-O 3.32Å; A216-T221 PolarHBondContact O-N 3.47Å; T219-T221 WeakPolarHBondContact CB-OG1 3.46Å; T219-T221 PolarHBondContact O-N 3.12Å; T219-T221 PolarHBondContact OG1-N 2.8Å; T219-T221 PolarHBondContact OG1-OG1 2.84Å; T221-K223 PolarHBondContact O-N 2.91Å
222L92.8Very high84.3Confident30 Ų3052.6 Ų52.616%0.15728%0.275CS..EExtended strand (participates in β ladder)trans-60123.7175.3-173.464.7000109.6Q172 A213 W215 L224 Q225Q172-L222 HydrophobicContact CB-CD2 4.18Å; Q172-L222 HydrophobicContact CG-CD2 3.95Å; A213-L222 HydrophobicContact CB-CD1 3.9Å; W215-L222 HydrophobicContact CD2-CB 4.46Å; W215-L222 HydrophobicContact CD2-CD1 4.04Å; W215-L222 HydrophobicContact CE3-CB 3.89Å; W215-L222 HydrophobicContact CE3-CD1 4.32Å; W215-L222 VanDerWaalsContact CE3-N 3.33Å; W215-L222 HydrophobicContact CH2-CB 4Å; W215-L222 HydrophobicContact CH2-CD1 4.12Å; W215-L222 HydrophobicContact CH2-CG 4.49Å; W215-L222 HydrophobicContact CZ2-CD1 3.83Å; W215-L222 HydrophobicContact CZ3-CB 3.66Å; W215-L222 HydrophobicContact CZ3-CD1 4.36Å; L222-L224 WeakPolarHBondContact CD1-O 3.42Å; L222-Q225 HydrophobicContact CD2-CB 4.31Å
223K92.6Very high82.6Confident138 Ų13858 Ų5860%0.630%0.3SS*.EExtended strand (participates in β ladder)trans-109.8-28.5179.1-66.5-56.3-174.8179.80112.8A214 A216 T221A214-K223 PolarHBondContact O-N 2.81Å; A216-K223 HydrophobicContact CB-CD 4.21Å; A216-K223 VanDerWaalsContact CB-CE 3.49Å; A216-K223 HydrophobicContact CB-CG 3.68Å; T221-K223 PolarHBondContact O-N 2.91Å
224L90.7Very high80.7Confident24 Ų2460.9 Ų60.913%0.12632%0.319CS..EExtended strand (participates in β ladder)trans-148.3137.5-176.6179.3144.4000108.7I212 A213 A214 L222 R226 F269 M272I212-L224 HydrophobicContact CD1-CD2 4.06Å; I212-L224 HydrophobicContact CG1-CD2 4.12Å; A213-L224 CarbonylContact C-O 3.56Å; A213-L224 WeakPolarHBondContact CA-O 3.39Å; A214-L224 HydrophobicContact CB-CB 3.96Å; A214-L224 HydrophobicContact CB-CD2 4.44Å; A214-L224 PolarHBondContact N-O 2.92Å; A214-L224 PolarHBondContact O-N 3.17Å; L222-L224 WeakPolarHBondContact CD1-O 3.42Å; L224-R226 HydrophobicContact CD2-CB 4.4Å; L224-F269 HydrophobicContact CD1-CD1 4.11Å; L224-F269 HydrophobicContact CD2-CE1 4.41Å; L224-M272 HydrophobicContact CD1-CE 3.51Å; L224-M272 HydrophobicContact CD1-SD 3.56Å; L224-M272 VanDerWaalsContact CD1-SD 3.56Å; L224-M272 HydrophobicContact CG-CE 3.96Å
225Q90.1Very high78.9Confident54 Ų5462.9 Ų62.925%0.25233%0.329SS..EExtended strand (participates in β ladder)trans-142.9124.8169.8179.2176.9-26.400106.8L171 Q172 I212 L222L171-Q225 HydrophobicContact CD2-CG 4.3Å; Q172-Q225 PolarHBondContact O-NE2 3.48Å; Q172-Q225 VanDerWaalsContact O-NE2 3.1Å; Q172-Q225 PolarHBondContact O-OE1 2.81Å; I212-Q225 WeakPolarHBondContact O-CA 3.35Å; L222-Q225 HydrophobicContact CD2-CB 4.31Å
226R87.9Confident77Confident109 Ų10970.2 Ų70.241%0.41136%0.361SS..EExtended strand (participates in β ladder)trans-148.3140.8-175.1-16764.4172.11764110.7R211 I212 L224 F267 M272R211-R226 CarbonylContact C-O 3.47Å; R211-R226 WeakPolarHBondContact CA-O 3.23Å; I212-R226 HydrophobicContact CD1-CB 4.42Å; I212-R226 HydrophobicContact CG1-CB 3.99Å; I212-R226 PolarHBondContact N-O 2.82Å; I212-R226 PolarHBondContact O-N 2.93Å; L224-R226 HydrophobicContact CD2-CB 4.4Å; R226-F267 HydrophobicContact CG-CE2 4.48Å; R226-F267 HydrophobicContact CG-CZ 4.4Å; R226-M272 HydrophobicContact CB-CE 4.18Å; R226-M272 HydrophobicContact CG-CE 4.09Å
227C84.6Confident75.3Confident20 Ų2075.7 Ų75.714%0.13538%0.379CS..EExtended strand (participates in β ladder)trans-87133166.5-171.50000109.7H229C227-H229 VanDerWaalsContact C-N 3.34Å; C227-H229 PolarHBondContact O-N 3.3Å; C227-H229 PolarHBondContact SG-CE1 2.75Å
228M81.7Confident73.8Confident7 Ų780.3 Ų80.33%0.03440%0.402CS..  trans-87.174.8172.5-58.1-173.4-65.100108.6M206 R210 I212 Y258 F267 V274M206-M228 HydrophobicContact CG-CE 4.14Å; M206-M228 HydrophobicContact SD-CE 3.77Å; R210-M228 WeakPolarHBondContact O-CB 3.48Å; R210-M228 PolarHBondContact O-N 2.74Å; I212-M228 HydrophobicContact CG1-CG 4.49Å; I212-M228 HydrophobicContact CG2-CE 3.69Å; I212-M228 HydrophobicContact CG2-CG 4.17Å; I212-M228 HydrophobicContact CG2-SD 3.6Å; M228-Y258 HydrophobicContact CE-CD2 4.29Å; M228-Y258 HydrophobicContact CE-CE1 4.5Å; M228-Y258 HydrophobicContact CE-CE2 3.89Å; M228-Y258 HydrophobicContact SD-CD1 4.48Å; M228-Y258 HydrophobicContact SD-CE1 3.87Å; M228-Y258 HydrophobicContact SD-CE2 4.25Å; M228-F267 HydrophobicContact CG-CD2 3.98Å; M228-F267 HydrophobicContact CG-CE2 4.3Å; M228-F267 HydrophobicContact SD-CB 4.31Å; M228-F267 HydrophobicContact SD-CD2 4.11Å; M228-F267 HydrophobicContact SD-CG 4.36Å; M228-V274 HydrophobicContact CB-CG2 4.25Å
229H67Low72.5Confident81 Ų8176.7 Ų76.738%0.37538%0.38SS..  trans-68.7150.8-179.3-75.4-61.4000113.1C227C227-H229 VanDerWaalsContact C-N 3.34Å; C227-H229 PolarHBondContact O-N 3.3Å; C227-H229 PolarHBondContact SG-CE1 2.75Å
230R58.6Low71.5Confident222 Ų22273.9 Ų73.984%0.83837%0.365SS*.SBendtrans82.5115.6176.8-59.1-175177.7-172.5-1.1116.6
231G51.3Low70.8Confident79 Ų7973.9 Ų73.981%0.81437%0.365SS*.SBendtrans97.3-9.1153.100000118
232I53.4Low70.2Confident20 Ų2073.5 Ų73.510%0.10336%0.356CS..  trans-103.5114.8-175.9-57.5158.6000108.3R210 Y258 V260 F277R210-I232 WeakPolarHBondContact CD-O 3.25Å; R210-I232 PolarHBondContact NE-O 2.97Å; R210-I232 PolarHBondContact NH1-O 2.89Å; I232-Y258 HydrophobicContact CD1-CE2 3.83Å; I232-Y258 WeakPolarHBondContact CD1-OH 3.38Å; I232-V260 HydrophobicContact CB-CG1 4.48Å; I232-V260 HydrophobicContact CD1-CG1 3.84Å; I232-V260 HydrophobicContact CG1-CB 4.46Å; I232-V260 HydrophobicContact CG1-CG1 3.9Å; I232-V260 HydrophobicContact CG2-CB 4.05Å; I232-V260 HydrophobicContact CG2-CG1 3.72Å; I232-F277 HydrophobicContact CD1-CE1 3.86Å; I232-F277 HydrophobicContact CD1-CZ 3.92Å; I232-F277 HydrophobicContact CG1-CE1 3.82Å; I232-F277 HydrophobicContact CG1-CZ 3.88Å
233Q55Low70Confident114 Ų11472.3 Ų72.353%0.53335%0.35SS..PPolyproline II helixtrans-63.1136.7166.7-79.5-174.3-0.400108.7M235Q233-M235 PolarHBondContact O-N 3.34Å
234P51.3Low69.7Low61 Ų6166 Ų6640%0.39632%0.323SS..PPolyproline II helixtrans-56.3142.5172.924.5-27.9000108.2K236P234-K236 PolarHBondContact O-N 3.21Å
235M56.3Low69.5Low44 Ų4464.9 Ų64.922%0.21732%0.317CS..PPolyproline II helixtrans-60.6116.5174.9-84.4-174.3-88.700108.1I192 Q233 Y237 V241I192-M235 HydrophobicContact CD1-CE 3.52Å; Q233-M235 PolarHBondContact O-N 3.34Å; M235-Y237 PolarHBondContact O-N 2.95Å; M235-V241 HydrophobicContact CE-CB 4.07Å; M235-V241 HydrophobicContact CE-CG1 3.22Å; M235-V241 HydrophobicContact CE-CG2 3.72Å; M235-V241 HydrophobicContact SD-CG1 3.36Å; M235-V241 WeakPolarHBondContact SD-CG1 3.26Å
236K53.2Low69.3Low166 Ų16664.2 Ų64.272%0.72231%0.313SS*.SBendtrans-70.5-12.5175.9-74.9-173.1175.8-178.70112.3P234P234-K236 PolarHBondContact O-N 3.21Å
237Y55.9Low69.1Low132 Ų13260.8 Ų60.852%0.51830%0.302SS..SBendtrans-103.1138.3-176.5-61.9-77.8000110.1M235 A239 Y284M235-Y237 PolarHBondContact O-N 2.95Å; Y237-A239 PolarHBondContact O-N 2.87Å; Y237-Y284 HydrophobicContact CD2-CE2 4.34Å; Y237-Y284 HydrophobicContact CE2-CD2 4.24Å; Y237-Y284 AromaticContact CE2-CE2 3.83Å; Y237-Y284 HydrophobicContact CE2-CE2 3.83Å
238E59.6Low68.9Low134 Ų13462.6 Ų62.663%0.62631%0.308SS*.  trans-72.751.2173.6-55.8-170.7140.700110.5F134 R190F134-E238 WeakPolarHBondContact CE1-O 3.1Å; R190-E238 IonicContact CZ-OE1 3.46Å; R190-E238 IonicContact NH1-OE1 3.36Å; R190-E238 PolarHBondContact NH1-OE1 3.49Å; R190-E238 IonicContact NH2-OE1 2.67Å
239A64.3Low68.7Low23 Ų2368 Ų6819%0.1934%0.344CS..  trans-105.9135.8-17500000110.3Y237Y237-A239 PolarHBondContact O-N 2.87Å
240A70.3Confident69.4Low24 Ų2467 Ų6720%0.19835%0.346CS..  trans-56.1137.7162.200000110.4L92 F134L92-A240 WeakPolarHBondContact O-CB 3.26Å; F134-A240 HydrophobicContact CB-CB 4.09Å; F134-A240 WeakPolarHBondContact O-CB 3.48Å
241V77.7Confident70.5Confident4 Ų457.5 Ų57.52%0.02431%0.311CS..  trans-116.7131.5165.8-740000111.9I192 G193 M206 M235 I243 P259I192-V241 HydrophobicContact CB-CG2 3.98Å; I192-V241 HydrophobicContact CD1-CG2 3.87Å; I192-V241 HydrophobicContact CG1-CG2 3.86Å; I192-V241 WeakPolarHBondContact O-CG2 3.41Å; I192-V241 PolarHBondContact O-N 2.8Å; G193-V241 WeakPolarHBondContact CA-O 3.5Å; M206-V241 HydrophobicContact CE-CB 4.41Å; M206-V241 HydrophobicContact CE-CG2 3.27Å; M235-V241 HydrophobicContact CE-CB 4.07Å; M235-V241 HydrophobicContact CE-CG1 3.22Å; M235-V241 HydrophobicContact CE-CG2 3.72Å; M235-V241 HydrophobicContact SD-CG1 3.36Å; M235-V241 WeakPolarHBondContact SD-CG1 3.26Å; V241-I243 PolarHBondContact O-N 3.03Å; V241-P259 HydrophobicContact CB-CG 4.13Å; V241-P259 HydrophobicContact CG1-CB 4.29Å; V241-P259 HydrophobicContact CG1-CG 4.25Å
242R80.9Confident72.2Confident57 Ų5758.4 Ų58.422%0.21530%0.296CS..BIsolated β-bridgetrans-83.8110.6172.2-171.1174.5178.7141.41.9109.9I43 D44 E244 P259 Q286 S287 C288I43-R242 PolarHBondContact O-NH1 3Å; D44-R242 VanDerWaalsContact CA-NH1 3.35Å; D44-R242 VanDerWaalsContact CB-NH1 3.34Å; D44-R242 IonicContact OD1-CZ 3.76Å; D44-R242 IonicContact OD1-NH1 2.99Å; D44-R242 PolarHBondContact OD1-NH1 2.86Å; D44-R242 IonicContact OD1-NH2 3.71Å; D44-R242 PolarHBondContact OD1-NH2 3.49Å; R242-E244 IonicContact NE-OE1 3.6Å; R242-E244 IonicContact NH2-OE1 3.53Å; R242-P259 WeakPolarHBondContact O-CD 3.41Å; R242-P259 WeakPolarHBondContact O-CG 3.5Å; R242-Q286 PolarHBondContact N-O 2.85Å; R242-S287 WeakPolarHBondContact CB-OG 3.35Å; R242-S287 WeakPolarHBondContact CD-OG 3.44Å; R242-C288 PolarHBondContact O-N 2.99Å; R242-C288 PolarHBondContact O-SG 3.13Å
243I87.2Confident73.7Confident5 Ų562.6 Ų62.63%0.02631%0.314CS..  trans-91.1152.9171.764.8175.6000111.1K195 M206 V241 L256K195-I243 HydrophobicContact CB-CD1 4.18Å; K195-I243 HydrophobicContact CB-CG1 3.99Å; K195-I243 WeakPolarHBondContact CD-O 3.43Å; M206-I243 HydrophobicContact CB-CG2 4.47Å; M206-I243 HydrophobicContact CE-CG2 3.46Å; M206-I243 VanDerWaalsContact CE-CG2 3.46Å; M206-I243 HydrophobicContact SD-CG2 4.12Å; V241-I243 PolarHBondContact O-N 3.03Å; I243-L256 HydrophobicContact CB-CD1 4.04Å; I243-L256 HydrophobicContact CD1-CD1 3.95Å; I243-L256 HydrophobicContact CG1-CD1 4.38Å
244E87.2Confident75.3Confident7 Ų757.2 Ų57.23%0.03329%0.289CS..EExtended strand (participates in β ladder)trans-126.5152.5176.7-79.6-65.8153.600111.6K195 R242 I257 C288 L290K195-E244 IonicContact NZ-OE1 2.67Å; K195-E244 PolarHBondContact NZ-OE1 3.11Å; K195-E244 IonicContact NZ-OE2 2.7Å; K195-E244 PolarHBondContact NZ-OE2 3.04Å; R242-E244 IonicContact NE-OE1 3.6Å; R242-E244 IonicContact NH2-OE1 3.53Å; E244-I257 HydrophobicContact CB-CB 4.13Å; E244-I257 PolarHBondContact N-O 3.36Å; E244-I257 PolarHBondContact O-N 2.67Å; E244-C288 WeakPolarHBondContact CG-O 3.29Å; E244-L290 HydrophobicContact CB-CB 4.34Å; E244-L290 HydrophobicContact CG-CB 4.33Å
245I86.6Confident77.1Confident0 Ų054.7 Ų54.70%027%0.272CS..EExtended strand (participates in β ladder)trans-122.9117177.8-49.8162.3000108K195 T197 I204 E247 L255 L256 R292K195-I245 HydrophobicContact CB-CD1 4.01Å; K195-I245 HydrophobicContact CD-CD1 4.4Å; K195-I245 HydrophobicContact CD-CG1 4.42Å; K195-I245 HydrophobicContact CG-CD1 3.98Å; K195-I245 HydrophobicContact CG-CG1 4.49Å; T197-I245 HydrophobicContact CG2-CD1 4.32Å; I204-I245 HydrophobicContact CB-CD1 4.38Å; I204-I245 HydrophobicContact CD1-CD1 3.37Å; I204-I245 HydrophobicContact CD1-CG1 3.96Å; I204-I245 HydrophobicContact CD1-CG2 4.45Å; I204-I245 HydrophobicContact CG1-CD1 4.12Å; I245-E247 HydrophobicContact CB-CG 4.11Å; I245-E247 HydrophobicContact CG2-CG 3.51Å; I245-E247 PolarHBondContact O-N 2.83Å; I245-L255 CarbonylContact C-O 3.6Å; I245-L255 WeakPolarHBondContact CA-O 3.49Å; I245-L256 HydrophobicContact CG1-CD1 4.45Å; I245-R292 PolarHBondContact O-NH2 3.33Å
246F85.5Confident78.8Confident39 Ų3952.6 Ų52.617%0.17126%0.261CS..EExtended strand (participates in β ladder)trans-81.7100.2165-171.9-88.7000107.4E248 S254 L255 I257 L290 L315F246-E248 WeakPolarHBondContact CE1-OE1 3.22Å; F246-S254 CarbonylContact O-C 3.59Å; F246-S254 WeakPolarHBondContact O-CA 3.25Å; F246-S254 VanDerWaalsContact O-CB 3.28Å; F246-S254 WeakPolarHBondContact O-CB 3.34Å; F246-L255 HydrophobicContact CB-CB 4.18Å; F246-L255 HydrophobicContact CD1-CD1 4.46Å; F246-L255 PolarHBondContact N-O 3.42Å; F246-L255 PolarHBondContact O-N 2.87Å; F246-I257 HydrophobicContact CB-CD1 4.3Å; F246-L290 HydrophobicContact CB-CD2 4.16Å; F246-L290 HydrophobicContact CD2-CD2 3.58Å; F246-L290 HydrophobicContact CE2-CD2 4.47Å; F246-L290 HydrophobicContact CG-CD2 4.34Å; F246-L315 HydrophobicContact CZ-CD2 4.42Å
247E83.3Confident80.5Confident38 Ų3844.9 Ų44.918%0.17823%0.228CC..  trans-89.1127.9-172.5-71.6175.3-111.800112.5T197 S198 I245 S254 R292T197-E247 WeakPolarHBondContact CB-OE2 3.43Å; S198-E247 VanDerWaalsContact CB-OE1 3.3Å; S198-E247 WeakPolarHBondContact CB-OE1 3.4Å; S198-E247 PolarHBondContact N-OE1 2.6Å; S198-E247 PolarHBondContact N-OE2 2.94Å; S198-E247 PolarHBondContact OG-OE1 2.9Å; S198-E247 PolarHBondContact OG-OE2 3.25Å; S198-E247 VanDerWaalsContact OG-OE2 3.05Å; I245-E247 HydrophobicContact CB-CG 4.11Å; I245-E247 HydrophobicContact CG2-CG 3.51Å; I245-E247 PolarHBondContact O-N 2.83Å; E247-S254 WeakPolarHBondContact CA-OG 3.36Å; E247-R292 IonicContact OE1-CZ 3.92Å; E247-R292 IonicContact OE1-NH2 2.63Å; E247-R292 PolarHBondContact OE1-NH2 3.16Å
248E80.1Confident82Confident57 Ų5738.8 Ų38.827%0.26620%0.204SC..  trans-98.3157.8169-76.1-68152.400110.2F246 C250 K253 S254F246-E248 WeakPolarHBondContact CE1-OE1 3.22Å; E248-C250 CarbonylContact O-C 3.49Å; E248-C250 PolarHBondContact O-N 3.43Å; E248-K253 HydrophobicContact CB-CB 3.68Å; E248-K253 HydrophobicContact CG-CB 3.86Å; E248-K253 WeakPolarHBondContact CG-O 3.11Å; E248-S254 PolarHBondContact N-OG 2.82Å; E248-S254 VanDerWaalsContact N-OG 3.09Å
249P77.3Confident83.1Confident120 Ų12032.5 Ų32.578%0.77918%0.175SC*.SBendtrans-53.2-28.1176.2-26.935.2000113.6
250C82.6Confident83.8Confident62 Ų6231.8 Ų31.842%0.41917%0.168SC..SBendtrans-103.9117.1167.2-174.70000109.1E248 L252 K253E248-C250 CarbonylContact O-C 3.49Å; E248-C250 PolarHBondContact O-N 3.43Å; C250-L252 PolarHBondContact O-N 2.62Å; C250-L252 VanDerWaalsContact O-N 3.07Å; C250-K253 HydrophobicContact CB-CD 4.43Å; C250-K253 HydrophobicContact CB-CG 4.24Å; C250-K253 WeakPolarHBondContact O-CA 3.29Å; C250-K253 WeakPolarHBondContact O-CB 3.24Å; C250-K253 PolarHBondContact O-N 3.34Å
251F81.7Confident84.2Confident22 Ų2233.8 Ų33.810%0.09618%0.175CC..G310 helixtrans-51-36.1179.4172.1-101.5000114.1T197 I204 A214 K253 S254 F269T197-F251 HydrophobicContact CG2-CD2 3.9Å; T197-F251 HydrophobicContact CG2-CE2 3.89Å; I204-F251 HydrophobicContact CD1-CE2 3.61Å; I204-F251 HydrophobicContact CD1-CZ 3.93Å; I204-F251 HydrophobicContact CG1-CE2 4.39Å; I204-F251 HydrophobicContact CG1-CZ 4.44Å; A214-F251 HydrophobicContact CB-CZ 4.37Å; F251-K253 PolarHBondContact O-N 3.03Å; F251-S254 WeakPolarHBondContact O-CB 3.31Å; F251-S254 PolarHBondContact O-N 3.4Å; F251-S254 PolarHBondContact O-OG 3.48Å; F251-F269 HydrophobicContact CE1-CD1 4.16Å; F251-F269 HydrophobicContact CE1-CG 4.24Å; F251-F269 HydrophobicContact CE2-CD2 4.28Å; F251-F269 HydrophobicContact CE2-CE2 4.24Å; F251-F269 HydrophobicContact CE2-CZ 4.5Å; F251-F269 AromaticContact CZ-CD1 3.89Å; F251-F269 HydrophobicContact CZ-CD1 3.89Å; F251-F269 HydrophobicContact CZ-CD2 4.11Å; F251-F269 AromaticContact CZ-CE1 3.93Å; F251-F269 HydrophobicContact CZ-CE1 3.93Å; F251-F269 HydrophobicContact CZ-CE2 4.16Å; F251-F269 HydrophobicContact CZ-CG 4Å; F251-F269 HydrophobicContact CZ-CZ 4.09Å
252L86.3Confident84.1Confident98 Ų9833.9 Ų33.951%0.51318%0.177SC..G310 helixtrans-62.2-28.3178.5-69.1174.1000111.6C250 S254 F269 E270C250-L252 PolarHBondContact O-N 2.62Å; C250-L252 VanDerWaalsContact O-N 3.07Å; L252-S254 VanDerWaalsContact C-N 3.31Å; L252-F269 CarbonylContact O-C 3.56Å; L252-F269 WeakPolarHBondContact O-CB 3.41Å; L252-E270 WeakPolarHBondContact O-CA 3.44Å; L252-E270 WeakPolarHBondContact O-CB 3.16Å; L252-E270 PolarHBondContact O-N 2.87Å
253K85.3Confident84.1Confident108 Ų10832 Ų3247%0.4717%0.173SC..G310 helixtrans-83.4-8.1176.1-61.7-170.5172.8-1660113.7E248 C250 F251E248-K253 HydrophobicContact CB-CB 3.68Å; E248-K253 HydrophobicContact CG-CB 3.86Å; E248-K253 WeakPolarHBondContact CG-O 3.11Å; C250-K253 HydrophobicContact CB-CD 4.43Å; C250-K253 HydrophobicContact CB-CG 4.24Å; C250-K253 WeakPolarHBondContact O-CA 3.29Å; C250-K253 WeakPolarHBondContact O-CB 3.24Å; C250-K253 PolarHBondContact O-N 3.34Å; F251-K253 PolarHBondContact O-N 3.03Å
254S88.2Confident83.9Confident1 Ų131.7 Ų31.71%0.00717%0.171CC..  trans-65.2160.9177.5-57.40000111.4F246 E247 E248 F251 L252 F269F246-S254 CarbonylContact O-C 3.59Å; F246-S254 WeakPolarHBondContact O-CA 3.25Å; F246-S254 VanDerWaalsContact O-CB 3.28Å; F246-S254 WeakPolarHBondContact O-CB 3.34Å; E247-S254 WeakPolarHBondContact CA-OG 3.36Å; E248-S254 PolarHBondContact N-OG 2.82Å; E248-S254 VanDerWaalsContact N-OG 3.09Å; F251-S254 WeakPolarHBondContact O-CB 3.31Å; F251-S254 PolarHBondContact O-N 3.4Å; F251-S254 PolarHBondContact O-OG 3.48Å; L252-S254 VanDerWaalsContact C-N 3.31Å; S254-F269 WeakPolarHBondContact O-CD2 3.46Å; S254-F269 PolarHBondContact O-N 2.78Å
255L90.1Very high83.8Confident7 Ų731.4 Ų31.44%0.03717%0.17CC..EExtended strand (participates in β ladder)trans-121.6138.1176.6-51.5169.7000109.7I245 F246 I266 F267 I318I245-L255 CarbonylContact C-O 3.6Å; I245-L255 WeakPolarHBondContact CA-O 3.49Å; F246-L255 HydrophobicContact CB-CB 4.18Å; F246-L255 HydrophobicContact CD1-CD1 4.46Å; F246-L255 PolarHBondContact N-O 3.42Å; F246-L255 PolarHBondContact O-N 2.87Å; L255-I266 HydrophobicContact CB-CG2 4.1Å; L255-I266 HydrophobicContact CD1-CG2 4.17Å; L255-I266 HydrophobicContact CD2-CG2 4.49Å; L255-I266 HydrophobicContact CG-CG2 4.49Å; L255-F267 CarbonylContact C-O 3.55Å; L255-F267 VanDerWaalsContact CA-O 3.31Å; L255-F267 WeakPolarHBondContact CA-O 3.39Å; L255-I318 HydrophobicContact CD1-CB 4.43Å; L255-I318 HydrophobicContact CD1-CD1 3.11Å; L255-I318 HydrophobicContact CD1-CG1 3.5Å; L255-I318 VanDerWaalsContact CD1-CG1 3.5Å; L255-I318 HydrophobicContact CD1-CG2 4.02Å
256L90.8Very high83.8Confident0 Ų031.6 Ų31.60%017%0.171CC..EExtended strand (participates in β ladder)trans-93.4122.7167.8173.469.6000108.1I204 I212 I243 I245 Y258 I266 F267 F269I204-L256 HydrophobicContact CG2-CD1 4.43Å; I212-L256 HydrophobicContact CD1-CD2 4.45Å; I212-L256 HydrophobicContact CG2-CD2 3.76Å; I243-L256 HydrophobicContact CB-CD1 4.04Å; I243-L256 HydrophobicContact CD1-CD1 3.95Å; I243-L256 HydrophobicContact CG1-CD1 4.38Å; I245-L256 HydrophobicContact CG1-CD1 4.45Å; L256-Y258 HydrophobicContact CD2-CD1 4.37Å; L256-Y258 HydrophobicContact CG-CD1 4.14Å; L256-I266 CarbonylContact O-C 3.58Å; L256-I266 WeakPolarHBondContact O-CA 3.25Å; L256-F267 HydrophobicContact CB-CB 4.17Å; L256-F267 HydrophobicContact CB-CD1 4.38Å; L256-F267 PolarHBondContact N-O 2.89Å; L256-F267 PolarHBondContact O-N 3.06Å; L256-F269 HydrophobicContact CB-CE2 3.78Å; L256-F269 HydrophobicContact CB-CZ 3.85Å
257I88.9Confident84Confident5 Ų529.7 Ų29.73%0.02616%0.163CC..EExtended strand (participates in β ladder)trans-105.9126.5175.6-55.1174.9000106.2E244 F246 V264 G265 C288 L297E244-I257 HydrophobicContact CB-CB 4.13Å; E244-I257 PolarHBondContact N-O 3.36Å; E244-I257 PolarHBondContact O-N 2.67Å; F246-I257 HydrophobicContact CB-CD1 4.3Å; I257-V264 HydrophobicContact CG2-CG1 3.24Å; I257-G265 WeakPolarHBondContact CA-O 3.45Å; I257-C288 HydrophobicContact CG2-CB 4.48Å; I257-L297 HydrophobicContact CD1-CD1 4.45Å; I257-L297 HydrophobicContact CG2-CD1 4Å; I257-L297 HydrophobicContact CG2-CD2 4.14Å
258Y87.3Confident84.4Confident3 Ų328.1 Ų28.11%0.01216%0.155CC..EExtended strand (participates in β ladder)trans-146144.2-174.163-80.7000112.2M206 M228 I232 L256 V260 V264 G265 F267 V274M206-Y258 HydrophobicContact CE-CD2 4.46Å; M206-Y258 HydrophobicContact SD-CD2 3.84Å; M206-Y258 HydrophobicContact SD-CG 3.95Å; M228-Y258 HydrophobicContact CE-CD2 4.29Å; M228-Y258 HydrophobicContact CE-CE1 4.5Å; M228-Y258 HydrophobicContact CE-CE2 3.89Å; M228-Y258 HydrophobicContact SD-CD1 4.48Å; M228-Y258 HydrophobicContact SD-CE1 3.87Å; M228-Y258 HydrophobicContact SD-CE2 4.25Å; I232-Y258 HydrophobicContact CD1-CE2 3.83Å; I232-Y258 WeakPolarHBondContact CD1-OH 3.38Å; L256-Y258 HydrophobicContact CD2-CD1 4.37Å; L256-Y258 HydrophobicContact CG-CD1 4.14Å; Y258-V260 HydrophobicContact CD2-CG1 3.67Å; Y258-V260 HydrophobicContact CE2-CG1 3.33Å; Y258-V264 CarbonylContact O-C 3.6Å; Y258-V264 WeakPolarHBondContact O-CA 3.35Å; Y258-G265 VanDerWaalsContact CD1-O 3.26Å; Y258-G265 WeakPolarHBondContact CD1-O 3.46Å; Y258-G265 VanDerWaalsContact CE1-C 3.48Å; Y258-G265 WeakPolarHBondContact CE1-O 3.22Å; Y258-G265 PolarHBondContact N-O 3.07Å; Y258-G265 PolarHBondContact O-N 3.14Å; Y258-F267 HydrophobicContact CE1-CB 3.92Å; Y258-V274 WeakPolarHBondContact OH-CG2 3.12Å
259P83.3Confident84.8Confident2 Ų225.4 Ų25.41%0.01314%0.143CC..EExtended strand (participates in β ladder)trans-67.4142.9176.6-17.331.4000112.2V241 R242 V285 C288V241-P259 HydrophobicContact CB-CG 4.13Å; V241-P259 HydrophobicContact CG1-CB 4.29Å; V241-P259 HydrophobicContact CG1-CG 4.25Å; R242-P259 WeakPolarHBondContact O-CD 3.41Å; R242-P259 WeakPolarHBondContact O-CG 3.5Å; P259-V285 HydrophobicContact CB-CB 4.04Å; P259-V285 HydrophobicContact CB-CG1 3.94Å; P259-V285 WeakPolarHBondContact CB-O 3.39Å; P259-C288 HydrophobicContact CG-CB 4.5Å
260V79.5Confident85.4Confident9 Ų925 Ų256%0.05513%0.131CC..EExtended strand (participates in β ladder)trans-139.1171.8168.6-610000109.2I232 Y258 G262 S263 F277I232-V260 HydrophobicContact CB-CG1 4.48Å; I232-V260 HydrophobicContact CD1-CG1 3.84Å; I232-V260 HydrophobicContact CG1-CB 4.46Å; I232-V260 HydrophobicContact CG1-CG1 3.9Å; I232-V260 HydrophobicContact CG2-CB 4.05Å; I232-V260 HydrophobicContact CG2-CG1 3.72Å; Y258-V260 HydrophobicContact CD2-CG1 3.67Å; Y258-V260 HydrophobicContact CE2-CG1 3.33Å; V260-G262 PolarHBondContact O-N 3.34Å; V260-S263 CarbonylContact C-O 3.57Å; V260-S263 WeakPolarHBondContact CG2-O 3.4Å; V260-S263 PolarHBondContact N-O 3.17Å; V260-S263 PolarHBondContact O-N 3.38Å; V260-F277 HydrophobicContact CG1-CE1 4.42Å; V260-F277 HydrophobicContact CG2-CD1 3.95Å; V260-F277 HydrophobicContact CG2-CE1 4.11Å
261L78.3Confident85.7Confident65 Ų6527 Ų2734%0.3413%0.132SC..EExtended strand (participates in β ladder)trans-54.9115.5177.8177.252.6000111.1S263 Y284L261-S263 PolarHBondContact O-N 2.89Å; L261-S263 VanDerWaalsContact O-N 3.09Å; L261-Y284 HydrophobicContact CB-CD1 4.31Å; L261-Y284 HydrophobicContact CB-CE1 4Å; L261-Y284 HydrophobicContact CD1-CD1 3.76Å; L261-Y284 HydrophobicContact CD1-CD2 3.57Å; L261-Y284 HydrophobicContact CD1-CE1 3.64Å; L261-Y284 HydrophobicContact CD1-CE2 3.44Å; L261-Y284 VanDerWaalsContact CD1-CE2 3.44Å; L261-Y284 HydrophobicContact CD1-CG 3.72Å; L261-Y284 VanDerWaalsContact CD1-CZ 3.47Å; L261-Y284 HydrophobicContact CD2-CE1 4.47Å; L261-Y284 HydrophobicContact CG-CE1 4.24Å
262G75.8Confident86Confident7 Ų728.7 Ų28.77%0.07214%0.141CC..EExtended strand (participates in β ladder)trans67.61.5178.200000116.7V260 I280 R281 S283V260-G262 PolarHBondContact O-N 3.34Å; G262-I280 PolarHBondContact O-N 3.43Å; G262-R281 CarbonylContact C-O 3.25Å; G262-R281 VanDerWaalsContact C-O 3.25Å; G262-R281 WeakPolarHBondContact CA-O 3.25Å; G262-R281 PolarHBondContact O-N 3.46Å; G262-S283 WeakPolarHBondContact CA-O 3.45Å; G262-S283 PolarHBondContact N-O 2.82Å
263S80.5Confident86.1Confident16 Ų1630 Ų3011%0.11214%0.143CC..EExtended strand (participates in β ladder)trans-150.2170.4-170.9-58.80000111.7V260 L261 H278 S279V260-S263 CarbonylContact C-O 3.57Å; V260-S263 WeakPolarHBondContact CG2-O 3.4Å; V260-S263 PolarHBondContact N-O 3.17Å; V260-S263 PolarHBondContact O-N 3.38Å; L261-S263 PolarHBondContact O-N 2.89Å; L261-S263 VanDerWaalsContact O-N 3.09Å; S263-H278 CarbonylContact C-O 3.55Å; S263-H278 WeakPolarHBondContact CA-O 3.4Å; S263-H278 VanDerWaalsContact CB-O 3.3Å; S263-H278 WeakPolarHBondContact CB-O 3.49Å; S263-S279 WeakPolarHBondContact OG-CA 3.19Å; S263-S279 PolarHBondContact OG-OG 3.17Å
264V82.5Confident86.2Confident0 Ų026.4 Ų26.40%013%0.129CC..EExtended strand (participates in β ladder)trans-112.7125.6164.9168.70000108.9I257 Y258 F277 H278 I280 V285 C288 L297 T299I257-V264 HydrophobicContact CG2-CG1 3.24Å; Y258-V264 CarbonylContact O-C 3.6Å; Y258-V264 WeakPolarHBondContact O-CA 3.35Å; V264-F277 CarbonylContact O-C 3.54Å; V264-F277 WeakPolarHBondContact O-CA 3.39Å; V264-H278 PolarHBondContact N-O 3.23Å; V264-H278 PolarHBondContact O-N 3.34Å; V264-I280 HydrophobicContact CB-CD1 4.21Å; V264-I280 HydrophobicContact CG2-CD1 3.5Å; V264-V285 HydrophobicContact CG2-CG1 4.09Å; V264-C288 HydrophobicContact CG2-CB 4.24Å; V264-L297 HydrophobicContact CB-CD2 4.37Å; V264-L297 HydrophobicContact CG1-CD2 4.01Å; V264-L297 HydrophobicContact CG2-CD2 4.33Å; V264-T299 HydrophobicContact CG2-CG2 3.93Å
265G85.5Confident86.1Confident0 Ų028.4 Ų28.40%014%0.142CC..EExtended strand (participates in β ladder)trans-83.3143.4173.300000111.1I257 Y258I257-G265 WeakPolarHBondContact CA-O 3.45Å; Y258-G265 VanDerWaalsContact CD1-O 3.26Å; Y258-G265 WeakPolarHBondContact CD1-O 3.46Å; Y258-G265 VanDerWaalsContact CE1-C 3.48Å; Y258-G265 WeakPolarHBondContact CE1-O 3.22Å; Y258-G265 PolarHBondContact N-O 3.07Å; Y258-G265 PolarHBondContact O-N 3.14Å
266I88Confident85.9Confident4 Ų429.2 Ų29.22%0.02115%0.147CC..EExtended strand (participates in β ladder)trans-120.4113.6173.4-54.3-175.5000108.5L255 L256 V274 V275 T276 V314L255-I266 HydrophobicContact CB-CG2 4.1Å; L255-I266 HydrophobicContact CD1-CG2 4.17Å; L255-I266 HydrophobicContact CD2-CG2 4.49Å; L255-I266 HydrophobicContact CG-CG2 4.49Å; L256-I266 CarbonylContact O-C 3.58Å; L256-I266 WeakPolarHBondContact O-CA 3.25Å; I266-V274 CarbonylContact O-C 3.5Å; I266-V274 WeakPolarHBondContact O-CA 3.15Å; I266-V274 WeakPolarHBondContact O-CG1 3.38Å; I266-V275 HydrophobicContact CB-CG2 4.1Å; I266-V275 HydrophobicContact CG2-CG2 3.77Å; I266-V275 VanDerWaalsContact O-CG2 3.31Å; I266-V275 WeakPolarHBondContact O-CG2 3.08Å; I266-V275 PolarHBondContact O-N 3.06Å; I266-T276 HydrophobicContact CB-CG2 3.96Å; I266-T276 HydrophobicContact CD1-CG2 3.67Å; I266-T276 HydrophobicContact CG1-CG2 4.01Å; I266-T276 PolarHBondContact N-O 2.79Å; I266-V314 HydrophobicContact CD1-CG1 3.36Å; I266-V314 HydrophobicContact CD1-CG2 4.48Å
267F89.8Confident85.5Confident0 Ų033 Ų330%016%0.164CC..EExtended strand (participates in β ladder)trans-101.8131.3176.1176.2-83.4000110.4I212 R226 M228 L255 L256 Y258 F269 M272 K273 V274I212-F267 HydrophobicContact CD1-CD1 3.7Å; I212-F267 HydrophobicContact CD1-CD2 4.26Å; I212-F267 HydrophobicContact CD1-CE1 3.34Å; I212-F267 HydrophobicContact CD1-CE2 3.94Å; I212-F267 HydrophobicContact CD1-CG 4.16Å; I212-F267 HydrophobicContact CD1-CZ 3.48Å; I212-F267 VanDerWaalsContact CD1-CZ 3.48Å; R226-F267 HydrophobicContact CG-CE2 4.48Å; R226-F267 HydrophobicContact CG-CZ 4.4Å; M228-F267 HydrophobicContact CG-CD2 3.98Å; M228-F267 HydrophobicContact CG-CE2 4.3Å; M228-F267 HydrophobicContact SD-CB 4.31Å; M228-F267 HydrophobicContact SD-CD2 4.11Å; M228-F267 HydrophobicContact SD-CG 4.36Å; L255-F267 CarbonylContact C-O 3.55Å; L255-F267 VanDerWaalsContact CA-O 3.31Å; L255-F267 WeakPolarHBondContact CA-O 3.39Å; L256-F267 HydrophobicContact CB-CB 4.17Å; L256-F267 HydrophobicContact CB-CD1 4.38Å; L256-F267 PolarHBondContact N-O 2.89Å; L256-F267 PolarHBondContact O-N 3.06Å; Y258-F267 HydrophobicContact CE1-CB 3.92Å; F267-F269 HydrophobicContact CD1-CD1 4.28Å; F267-F269 HydrophobicContact CD1-CE1 4.28Å; F267-F269 AromaticContact CE1-CD1 3.76Å; F267-F269 HydrophobicContact CE1-CD1 3.76Å; F267-F269 HydrophobicContact CE1-CE1 4Å; F267-F269 HydrophobicContact CE1-CG 4.23Å; F267-M272 HydrophobicContact CZ-SD 4.33Å; F267-K273 VanDerWaalsContact CD2-C 3.47Å; F267-V274 HydrophobicContact CD2-CG2 4.34Å
268S90Very high85Confident4 Ų435.5 Ų35.53%0.02818%0.175CC..EExtended strand (participates in β ladder)trans-97.8123.4175.5170.50000110.4E270 K271 M272 K273 V275S268-E270 PolarHBondContact O-N 3.14Å; S268-E270 PolarHBondContact OG-N 2.89Å; S268-K271 PolarHBondContact OG-N 2.76Å; S268-K271 VanDerWaalsContact OG-N 3.12Å; S268-M272 WeakPolarHBondContact O-CA 3.5Å; S268-M272 PolarHBondContact O-N 2.86Å; S268-K273 PolarHBondContact N-O 2.95Å; S268-V275 VanDerWaalsContact CB-CG1 3.47Å
269F89.8Confident84.6Confident1 Ų139.8 Ų39.80%0.00421%0.205CC..THydrogen-bonded Turntrans-67.6-23173.5-70.6-72.2000112.5I204 I212 L224 F251 L252 S254 L256 F267 M272I204-F269 HydrophobicContact CD1-CE1 4.4Å; I204-F269 HydrophobicContact CD1-CE2 3.88Å; I204-F269 HydrophobicContact CD1-CZ 3.54Å; I204-F269 HydrophobicContact CG1-CZ 4.43Å; I204-F269 HydrophobicContact CG2-CZ 4.15Å; I212-F269 HydrophobicContact CD1-CE1 4.13Å; L224-F269 HydrophobicContact CD1-CD1 4.11Å; L224-F269 HydrophobicContact CD2-CE1 4.41Å; F251-F269 HydrophobicContact CE1-CD1 4.16Å; F251-F269 HydrophobicContact CE1-CG 4.24Å; F251-F269 HydrophobicContact CE2-CD2 4.28Å; F251-F269 HydrophobicContact CE2-CE2 4.24Å; F251-F269 HydrophobicContact CE2-CZ 4.5Å; F251-F269 AromaticContact CZ-CD1 3.89Å; F251-F269 HydrophobicContact CZ-CD1 3.89Å; F251-F269 HydrophobicContact CZ-CD2 4.11Å; F251-F269 AromaticContact CZ-CE1 3.93Å; F251-F269 HydrophobicContact CZ-CE1 3.93Å; F251-F269 HydrophobicContact CZ-CE2 4.16Å; F251-F269 HydrophobicContact CZ-CG 4Å; F251-F269 HydrophobicContact CZ-CZ 4.09Å; L252-F269 CarbonylContact O-C 3.56Å; L252-F269 WeakPolarHBondContact O-CB 3.41Å; S254-F269 WeakPolarHBondContact O-CD2 3.46Å; S254-F269 PolarHBondContact O-N 2.78Å; L256-F269 HydrophobicContact CB-CE2 3.78Å; L256-F269 HydrophobicContact CB-CZ 3.85Å; F267-F269 HydrophobicContact CD1-CD1 4.28Å; F267-F269 HydrophobicContact CD1-CE1 4.28Å; F267-F269 AromaticContact CE1-CD1 3.76Å; F267-F269 HydrophobicContact CE1-CD1 3.76Å; F267-F269 HydrophobicContact CE1-CE1 4Å; F267-F269 HydrophobicContact CE1-CG 4.23Å; F269-M272 WeakPolarHBondContact O-CG 2.96Å
270E89.8Confident84Confident112 Ų11241.2 Ų41.252%0.52321%0.213SC..THydrogen-bonded Turntrans-78.3-50.3179.6-178.7172-141.100109.6L252 S268 M272L252-E270 WeakPolarHBondContact O-CA 3.44Å; L252-E270 WeakPolarHBondContact O-CB 3.16Å; L252-E270 PolarHBondContact O-N 2.87Å; S268-E270 PolarHBondContact O-N 3.14Å; S268-E270 PolarHBondContact OG-N 2.89Å; E270-M272 VanDerWaalsContact C-N 3.28Å; E270-M272 PolarHBondContact O-N 2.94Å
271K88.2Confident83.4Confident103 Ų10346.8 Ų46.845%0.44823%0.233SC..THydrogen-bonded Turntrans-81.4-10.1-178.8-60.6176.5179.4170.90112.5S268 K273 V275S268-K271 PolarHBondContact OG-N 2.76Å; S268-K271 VanDerWaalsContact OG-N 3.12Å; K271-K273 HydrophobicContact CB-CG 3.94Å; K271-K273 PolarHBondContact O-N 2.83Å; K271-V275 HydrophobicContact CB-CG1 4.4Å; K271-V275 HydrophobicContact CD-CG1 3.77Å
272M88.7Confident82.6Confident58 Ų5852.7 Ų52.729%0.28626%0.258SS..THydrogen-bonded Turntrans52.235.8-179.4-67.6-65.9-73.800113.7L224 R226 F267 S268 F269 E270L224-M272 HydrophobicContact CD1-CE 3.51Å; L224-M272 HydrophobicContact CD1-SD 3.56Å; L224-M272 VanDerWaalsContact CD1-SD 3.56Å; L224-M272 HydrophobicContact CG-CE 3.96Å; R226-M272 HydrophobicContact CB-CE 4.18Å; R226-M272 HydrophobicContact CG-CE 4.09Å; F267-M272 HydrophobicContact CZ-SD 4.33Å; S268-M272 WeakPolarHBondContact O-CA 3.5Å; S268-M272 PolarHBondContact O-N 2.86Å; F269-M272 WeakPolarHBondContact O-CG 2.96Å; E270-M272 VanDerWaalsContact C-N 3.28Å; E270-M272 PolarHBondContact O-N 2.94Å
273K88.6Confident82.2Confident126 Ų12652.9 Ų52.955%0.54826%0.259SS..EExtended strand (participates in β ladder)trans-153161.8-178.867.7-177.2-179.2177.90111.3F267 S268 K271 V275F267-K273 VanDerWaalsContact CD2-C 3.47Å; S268-K273 PolarHBondContact N-O 2.95Å; K271-K273 HydrophobicContact CB-CG 3.94Å; K271-K273 PolarHBondContact O-N 2.83Å; K273-V275 PolarHBondContact O-N 3.01Å
274V86.4Confident81.8Confident31 Ų3154 Ų5419%0.18826%0.261CS..EExtended strand (participates in β ladder)trans-66.3125.6165.6-1720000108.3M228 Y258 I266 F267 F277M228-V274 HydrophobicContact CB-CG2 4.25Å; Y258-V274 WeakPolarHBondContact OH-CG2 3.12Å; I266-V274 CarbonylContact O-C 3.5Å; I266-V274 WeakPolarHBondContact O-CA 3.15Å; I266-V274 WeakPolarHBondContact O-CG1 3.38Å; F267-V274 HydrophobicContact CD2-CG2 4.34Å; V274-F277 HydrophobicContact CG1-CD2 4.34Å; V274-F277 HydrophobicContact CG1-CE1 4.14Å; V274-F277 HydrophobicContact CG1-CE2 3.77Å; V274-F277 HydrophobicContact CG1-CZ 3.67Å
275V86.3Confident81.3Confident43 Ų4354.2 Ų54.226%0.26126%0.262SS..EExtended strand (participates in β ladder)trans-98.4-29-175.9-66.80000112.8I266 S268 K271 K273I266-V275 HydrophobicContact CB-CG2 4.1Å; I266-V275 HydrophobicContact CG2-CG2 3.77Å; I266-V275 VanDerWaalsContact O-CG2 3.31Å; I266-V275 WeakPolarHBondContact O-CG2 3.08Å; I266-V275 PolarHBondContact O-N 3.06Å; S268-V275 VanDerWaalsContact CB-CG1 3.47Å; K271-V275 HydrophobicContact CB-CG1 4.4Å; K271-V275 HydrophobicContact CD-CG1 3.77Å; K273-V275 PolarHBondContact O-N 3.01Å
276T86.4Confident80.6Confident24 Ų2455.4 Ų55.415%0.14727%0.267CS..EExtended strand (participates in β ladder)trans-161.8161.6175.2-164.80000110I266I266-T276 HydrophobicContact CB-CG2 3.96Å; I266-T276 HydrophobicContact CD1-CG2 3.67Å; I266-T276 HydrophobicContact CG1-CG2 4.01Å; I266-T276 PolarHBondContact N-O 2.79Å
277F83.1Confident79.8Confident81 Ų8155.7 Ų55.736%0.35527%0.27SS..EExtended strand (participates in β ladder)trans-112.1146.8160.8-65.9-85.2000108.5I232 V260 V264 V274I232-F277 HydrophobicContact CD1-CE1 3.86Å; I232-F277 HydrophobicContact CD1-CZ 3.92Å; I232-F277 HydrophobicContact CG1-CE1 3.82Å; I232-F277 HydrophobicContact CG1-CZ 3.88Å; V260-F277 HydrophobicContact CG1-CE1 4.42Å; V260-F277 HydrophobicContact CG2-CD1 3.95Å; V260-F277 HydrophobicContact CG2-CE1 4.11Å; V264-F277 CarbonylContact O-C 3.54Å; V264-F277 WeakPolarHBondContact O-CA 3.39Å; V274-F277 HydrophobicContact CG1-CD2 4.34Å; V274-F277 HydrophobicContact CG1-CE1 4.14Å; V274-F277 HydrophobicContact CG1-CE2 3.77Å; V274-F277 HydrophobicContact CG1-CZ 3.67Å
278H78.2Confident79.2Confident57 Ų5755.7 Ų55.726%0.26427%0.27SS..EExtended strand (participates in β ladder)trans-112.5106.3169-175.462.5000107.6S263 V264S263-H278 CarbonylContact C-O 3.55Å; S263-H278 WeakPolarHBondContact CA-O 3.4Å; S263-H278 VanDerWaalsContact CB-O 3.3Å; S263-H278 WeakPolarHBondContact CB-O 3.49Å; V264-H278 PolarHBondContact N-O 3.23Å; V264-H278 PolarHBondContact O-N 3.34Å
279S78.8Confident78.4Confident93 Ų9355.9 Ų55.965%0.6527%0.27SS*.EExtended strand (participates in β ladder)trans-73.8128.8177.6-57.90000109.7S263S263-S279 WeakPolarHBondContact OG-CA 3.19Å; S263-S279 PolarHBondContact OG-OG 3.17Å
280I69.2Low77.8Confident32 Ų3256.4 Ų56.416%0.16427%0.273CS..EExtended strand (participates in β ladder)trans-110.9-57.2-174.2-62.9169.2000108.3G262 V264 V285 T299 C306G262-I280 PolarHBondContact O-N 3.43Å; V264-I280 HydrophobicContact CB-CD1 4.21Å; V264-I280 HydrophobicContact CG2-CD1 3.5Å; I280-V285 HydrophobicContact CD1-CG2 4.1Å; I280-T299 HydrophobicContact CD1-CG2 3.49Å; I280-T299 VanDerWaalsContact CD1-CG2 3.49Å; I280-C306 HydrophobicContact CG2-CB 4.04Å
281R68.4Low77Confident125 Ų12554.9 Ų54.947%0.47226%0.263SS..EExtended strand (participates in β ladder)trans-155.2179.1-179.4-70.8-163-174.6-170.31.1111.1G262 S283 C304G262-R281 CarbonylContact C-O 3.25Å; G262-R281 VanDerWaalsContact C-O 3.25Å; G262-R281 WeakPolarHBondContact CA-O 3.25Å; G262-R281 PolarHBondContact O-N 3.46Å; R281-S283 VanDerWaalsContact C-N 3.29Å; R281-C304 WeakPolarHBondContact CD-SG 3.49Å; R281-C304 PolarHBondContact NE-SG 2.94Å; R281-C304 PolarHBondContact NH1-SG 2.74Å
282E61.6Low76.1Confident189 Ų18955 Ų5588%0.88326%0.26SS*.EExtended strand (participates in β ladder)trans-77.8-14.9176.4-62.6-173.4167.800113
283S67.5Low75.1Confident11 Ų1160.8 Ų60.88%0.07728%0.284CS..EExtended strand (participates in β ladder)trans-93.3159-177.846.60000114.7G262 R281 V285 E303G262-S283 WeakPolarHBondContact CA-O 3.45Å; G262-S283 PolarHBondContact N-O 2.82Å; R281-S283 VanDerWaalsContact C-N 3.29Å; S283-V285 PolarHBondContact O-N 3.39Å; S283-E303 WeakPolarHBondContact CB-OE2 3.38Å; S283-E303 VanDerWaalsContact OG-CD 3.24Å; S283-E303 PolarHBondContact OG-OE2 3.28Å
284Y71.4Confident74Confident41 Ų4159.3 Ų59.316%0.16128%0.278CS..EExtended strand (participates in β ladder)trans-62121.7-178.5-81.5-89.8000111.9Y237 L261 S301Y237-Y284 HydrophobicContact CD2-CE2 4.34Å; Y237-Y284 HydrophobicContact CE2-CD2 4.24Å; Y237-Y284 AromaticContact CE2-CE2 3.83Å; Y237-Y284 HydrophobicContact CE2-CE2 3.83Å; L261-Y284 HydrophobicContact CB-CD1 4.31Å; L261-Y284 HydrophobicContact CB-CE1 4Å; L261-Y284 HydrophobicContact CD1-CD1 3.76Å; L261-Y284 HydrophobicContact CD1-CD2 3.57Å; L261-Y284 HydrophobicContact CD1-CE1 3.64Å; L261-Y284 HydrophobicContact CD1-CE2 3.44Å; L261-Y284 VanDerWaalsContact CD1-CE2 3.44Å; L261-Y284 HydrophobicContact CD1-CG 3.72Å; L261-Y284 VanDerWaalsContact CD1-CZ 3.47Å; L261-Y284 HydrophobicContact CD2-CE1 4.47Å; L261-Y284 HydrophobicContact CG-CE1 4.24Å; Y284-S301 WeakPolarHBondContact O-CA 3.41Å; Y284-S301 WeakPolarHBondContact O-CB 3.49Å
285V72.3Confident73.1Confident3 Ų359.7 Ų59.72%0.01828%0.279CS..EExtended strand (participates in β ladder)trans-78.3121.3168.6-173.20000107.7P259 V264 I280 S283 Y300P259-V285 HydrophobicContact CB-CB 4.04Å; P259-V285 HydrophobicContact CB-CG1 3.94Å; P259-V285 WeakPolarHBondContact CB-O 3.39Å; V264-V285 HydrophobicContact CG2-CG1 4.09Å; I280-V285 HydrophobicContact CD1-CG2 4.1Å; S283-V285 PolarHBondContact O-N 3.39Å; V285-Y300 CarbonylContact C-O 3.54Å; V285-Y300 WeakPolarHBondContact CA-O 3.21Å; V285-Y300 WeakPolarHBondContact CG1-O 3.27Å
286Q69.9Low72.3Confident25 Ų2559.6 Ų59.612%0.11728%0.275CS..EExtended strand (participates in β ladder)trans-94.1-32.6178.6-69.7-168.1-22.100112.5R242 Y300 Y302R242-Q286 PolarHBondContact N-O 2.85Å; Q286-Y300 HydrophobicContact CB-CD1 4.04Å; Q286-Y300 HydrophobicContact CB-CE1 4.28Å; Q286-Y300 PolarHBondContact N-O 2.76Å; Q286-Y302 HydrophobicContact CG-CD2 4.39Å; Q286-Y302 HydrophobicContact CG-CE2 4.19Å; Q286-Y302 PolarHBondContact NE2-OH 2.62Å; Q286-Y302 VanDerWaalsContact NE2-OH 3.11Å
287S72.4Confident71.6Confident10 Ų1058.5 Ų58.57%0.0727%0.269CS..EExtended strand (participates in β ladder)trans-141.7143.4-173.5179.40000111.1R242 T299 Y300R242-S287 WeakPolarHBondContact CB-OG 3.35Å; R242-S287 WeakPolarHBondContact CD-OG 3.44Å; S287-T299 WeakPolarHBondContact O-CA 3.48Å; S287-Y300 PolarHBondContact N-O 2.9Å; S287-Y300 PolarHBondContact O-N 2.89Å
288C75.7Confident71Confident0 Ų055.4 Ų55.40%026%0.256CS..EExtended strand (participates in β ladder)trans-128.6134.6166.866.70000108.6R242 E244 I257 P259 V264 L297 L298 T299R242-C288 PolarHBondContact O-N 2.99Å; R242-C288 PolarHBondContact O-SG 3.13Å; E244-C288 WeakPolarHBondContact CG-O 3.29Å; I257-C288 HydrophobicContact CG2-CB 4.48Å; P259-C288 HydrophobicContact CG-CB 4.5Å; V264-C288 HydrophobicContact CG2-CB 4.24Å; C288-L297 HydrophobicContact CB-CD1 4.04Å; C288-L298 CarbonylContact C-O 3.59Å; C288-L298 VanDerWaalsContact CA-O 3.27Å; C288-L298 WeakPolarHBondContact CA-O 3.48Å; C288-T299 HydrophobicContact CB-CG2 4.32Å
289I74.2Confident70.7Confident8 Ų852.9 Ų52.94%0.04124%0.244CC..EExtended strand (participates in β ladder)trans-131119.1178.7-57.4-177.1000108.7I43 L45 R291 L298I43-I289 HydrophobicContact CD1-CD1 3.79Å; I43-I289 HydrophobicContact CG1-CD1 3.81Å; L45-I289 HydrophobicContact CD1-CG2 4.39Å; I289-R291 PolarHBondContact O-N 3.12Å; I289-L298 HydrophobicContact CB-CB 4.15Å; I289-L298 HydrophobicContact CB-CD1 4.33Å; I289-L298 HydrophobicContact CG2-CD1 4.46Å; I289-L298 PolarHBondContact N-O 2.96Å; I289-L298 PolarHBondContact O-N 2.84Å
290L76.4Confident70.2Confident13 Ų1348.6 Ų48.67%0.06821%0.214CC..EExtended strand (participates in β ladder)trans-87.4110.4177.3179.271.6000110.4E244 F246 R292 Q296 L297 L310E244-L290 HydrophobicContact CB-CB 4.34Å; E244-L290 HydrophobicContact CG-CB 4.33Å; F246-L290 HydrophobicContact CB-CD2 4.16Å; F246-L290 HydrophobicContact CD2-CD2 3.58Å; F246-L290 HydrophobicContact CE2-CD2 4.47Å; F246-L290 HydrophobicContact CG-CD2 4.34Å; L290-R292 HydrophobicContact CD2-CG 3.76Å; L290-R292 HydrophobicContact CG-CG 4.04Å; L290-R292 PolarHBondContact O-N 3.49Å; L290-R292 VanDerWaalsContact O-N 3.13Å; L290-Q296 CarbonylContact C-O 3.55Å; L290-Q296 WeakPolarHBondContact CA-O 3.27Å; L290-L297 HydrophobicContact CB-CD1 4.45Å; L290-L310 HydrophobicContact CD1-CD1 3.42Å; L290-L310 VanDerWaalsContact CD1-CD1 3.42Å
291R72.8Confident70.2Confident79 Ų7947.2 Ų47.230%0.29821%0.207SC..EExtended strand (participates in β ladder)trans-8482.4169.5-59.7-178.879.2-158.212.6109.9I289 K293 F294 N295 Q296 L298I289-R291 PolarHBondContact O-N 3.12Å; R291-K293 PolarHBondContact O-N 2.96Å; R291-K293 VanDerWaalsContact O-N 3.1Å; R291-F294 HydrophobicContact CB-CD2 4.17Å; R291-F294 VanDerWaalsContact CZ-CE2 3.43Å; R291-F294 CarbonylContact O-C 3.49Å; R291-F294 PolarHBondContact O-N 3.22Å; R291-N295 PolarHBondContact O-N 3.16Å; R291-Q296 HydrophobicContact CB-CB 4.22Å; R291-Q296 PolarHBondContact N-O 2.83Å; R291-Q296 PolarHBondContact O-N 2.77Å; R291-L298 HydrophobicContact CG-CD1 3.9Å; R291-L298 HydrophobicContact CG-CG 4.05Å
292R69.3Low70Confident106 Ų10644.5 Ų44.540%0.420%0.197SC..G310 helixtrans-49.3-39.7-177.1-67.6-175.7-178.3174.12.4113.8I245 E247 L290 F294 N295I245-R292 PolarHBondContact O-NH2 3.33Å; E247-R292 IonicContact OE1-CZ 3.92Å; E247-R292 IonicContact OE1-NH2 2.63Å; E247-R292 PolarHBondContact OE1-NH2 3.16Å; L290-R292 HydrophobicContact CD2-CG 3.76Å; L290-R292 HydrophobicContact CG-CG 4.04Å; L290-R292 PolarHBondContact O-N 3.49Å; L290-R292 VanDerWaalsContact O-N 3.13Å; R292-F294 PolarHBondContact O-N 2.78Å; R292-F294 VanDerWaalsContact O-N 3.16Å; R292-N295 PolarHBondContact O-N 2.92Å; R292-N295 PolarHBondContact O-OD1 3.26Å
293K67.5Low70Confident179 Ų17941.9 Ų41.978%0.77819%0.185SC*.G310 helixtrans-58.4-29179.2-175.6175.1177.7-178.60113.3R291R291-K293 PolarHBondContact O-N 2.96Å; R291-K293 VanDerWaalsContact O-N 3.1Å
294F65.8Low69.5Low95 Ų9542.1 Ų42.142%0.41719%0.187SC..G310 helixtrans-115.3-1.1-175.4-54.6-72.3000112.8R291 R292 Q296R291-F294 HydrophobicContact CB-CD2 4.17Å; R291-F294 VanDerWaalsContact CZ-CE2 3.43Å; R291-F294 CarbonylContact O-C 3.49Å; R291-F294 PolarHBondContact O-N 3.22Å; R292-F294 PolarHBondContact O-N 2.78Å; R292-F294 VanDerWaalsContact O-N 3.16Å; F294-Q296 HydrophobicContact CB-CB 4.36Å; F294-Q296 HydrophobicContact CB-CG 3.92Å; F294-Q296 PolarHBondContact O-N 2.9Å
295N68.7Low68.8Low40 Ų4042.3 Ų42.321%0.21419%0.192CC..THydrogen-bonded Turntrans49.539.1-170.2-65.6-28.7000113.3L17 R291 R292 L310L17-N295 WeakPolarHBondContact CD1-ND2 3.08Å; R291-N295 PolarHBondContact O-N 3.16Å; R292-N295 PolarHBondContact O-N 2.92Å; R292-N295 PolarHBondContact O-OD1 3.26Å; N295-L310 PolarHBondContact O-N 3Å
296Q68.2Low68Low40 Ų4043.7 Ų43.719%0.18720%0.202CC..EExtended strand (participates in β ladder)trans-105140.3179.6-73177.6-30.400110.6L290 R291 F294 I307 D309L290-Q296 CarbonylContact C-O 3.55Å; L290-Q296 WeakPolarHBondContact CA-O 3.27Å; R291-Q296 HydrophobicContact CB-CB 4.22Å; R291-Q296 PolarHBondContact N-O 2.83Å; R291-Q296 PolarHBondContact O-N 2.77Å; F294-Q296 HydrophobicContact CB-CB 4.36Å; F294-Q296 HydrophobicContact CB-CG 3.92Å; F294-Q296 PolarHBondContact O-N 2.9Å; Q296-I307 HydrophobicContact CB-CG2 4.46Å; Q296-I307 HydrophobicContact CG-CG2 4.47Å; Q296-D309 VanDerWaalsContact CG-OD1 3.28Å; Q296-D309 WeakPolarHBondContact CG-OD1 3.29Å; Q296-D309 PolarHBondContact NE2-OD1 2.66Å
297L71.7Confident67.2Low1 Ų145 Ų451%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-105.8106.8167.1-17370.5000108.4I257 V264 C288 L290 T299 S308 L310I257-L297 HydrophobicContact CD1-CD1 4.45Å; I257-L297 HydrophobicContact CG2-CD1 4Å; I257-L297 HydrophobicContact CG2-CD2 4.14Å; V264-L297 HydrophobicContact CB-CD2 4.37Å; V264-L297 HydrophobicContact CG1-CD2 4.01Å; V264-L297 HydrophobicContact CG2-CD2 4.33Å; C288-L297 HydrophobicContact CB-CD1 4.04Å; L290-L297 HydrophobicContact CB-CD1 4.45Å; L297-T299 HydrophobicContact CD2-CG2 3.8Å; L297-T299 HydrophobicContact CG-CG2 3.72Å; L297-S308 PolarHBondContact N-O 2.94Å; L297-S308 PolarHBondContact O-N 2.81Å; L297-S308 PolarHBondContact O-OG 2.81Å; L297-L310 HydrophobicContact CB-CD1 3.76Å; L297-L310 HydrophobicContact CB-CD2 4.3Å; L297-L310 HydrophobicContact CB-CG 3.73Å; L297-L310 HydrophobicContact CD2-CD2 4.4Å
298L71.2Confident66.3Low17 Ų1745.1 Ų45.19%0.08921%0.209CC..EExtended strand (participates in β ladder)trans-74.6132.3166.1-56.5175.2000107.6L45 C288 I289 R291 I307L45-L298 HydrophobicContact CD1-CD1 4.45Å; C288-L298 CarbonylContact C-O 3.59Å; C288-L298 VanDerWaalsContact CA-O 3.27Å; C288-L298 WeakPolarHBondContact CA-O 3.48Å; I289-L298 HydrophobicContact CB-CB 4.15Å; I289-L298 HydrophobicContact CB-CD1 4.33Å; I289-L298 HydrophobicContact CG2-CD1 4.46Å; I289-L298 PolarHBondContact N-O 2.96Å; I289-L298 PolarHBondContact O-N 2.84Å; R291-L298 HydrophobicContact CG-CD1 3.9Å; R291-L298 HydrophobicContact CG-CG 4.05Å; L298-I307 HydrophobicContact CD2-CB 4.17Å; L298-I307 HydrophobicContact CD2-CD1 3.83Å; L298-I307 HydrophobicContact CD2-CG1 3.56Å; L298-I307 HydrophobicContact CD2-CG2 3.95Å
299T71Confident65.3Low3 Ų349 Ų492%0.01823%0.23CC..EExtended strand (participates in β ladder)trans-131.5143.917759.80000108.8V264 I280 S287 C288 L297 C306V264-T299 HydrophobicContact CG2-CG2 3.93Å; I280-T299 HydrophobicContact CD1-CG2 3.49Å; I280-T299 VanDerWaalsContact CD1-CG2 3.49Å; S287-T299 WeakPolarHBondContact O-CA 3.48Å; C288-T299 HydrophobicContact CB-CG2 4.32Å; L297-T299 HydrophobicContact CD2-CG2 3.8Å; L297-T299 HydrophobicContact CG-CG2 3.72Å; T299-C306 PolarHBondContact N-O 2.72Å; T299-C306 PolarHBondContact O-N 2.95Å; T299-C306 VanDerWaalsContact O-O 3.08Å; T299-C306 PolarHBondContact OG1-O 2.85Å
300Y70.2Confident64.3Low3 Ų349.5 Ų49.51%0.01223%0.233CC..EExtended strand (participates in β ladder)trans-130.4135.7-178.8168.9-112.3000109.5F38 F41 V285 Q286 S287F38-Y300 PolarHBondContact O-OH 2.78Å; F41-Y300 HydrophobicContact CD1-CE1 4.26Å; F41-Y300 AromaticContact CD1-CE2 3.96Å; F41-Y300 HydrophobicContact CD1-CE2 3.96Å; F41-Y300 AromaticContact CD1-CZ 3.58Å; F41-Y300 VanDerWaalsContact CD1-OH 3.25Å; F41-Y300 WeakPolarHBondContact CD1-OH 3.33Å; F41-Y300 AromaticContact CE1-CD2 3.89Å; F41-Y300 HydrophobicContact CE1-CD2 3.89Å; F41-Y300 HydrophobicContact CE1-CE1 4.07Å; F41-Y300 AromaticContact CE1-CE2 3.04Å; F41-Y300 HydrophobicContact CE1-CE2 3.04Å; F41-Y300 AromaticContact CE1-CZ 3.15Å; F41-Y300 WeakPolarHBondContact CE1-OH 3.34Å; F41-Y300 HydrophobicContact CE2-CD2 4.19Å; F41-Y300 HydrophobicContact CE2-CE2 4.1Å; F41-Y300 HydrophobicContact CE2-CG 4.49Å; F41-Y300 HydrophobicContact CZ-CD1 4.49Å; F41-Y300 AromaticContact CZ-CD2 3.45Å; F41-Y300 HydrophobicContact CZ-CD2 3.45Å; F41-Y300 VanDerWaalsContact CZ-CD2 3.45Å; F41-Y300 HydrophobicContact CZ-CE1 4.2Å; F41-Y300 AromaticContact CZ-CE2 3.13Å; F41-Y300 HydrophobicContact CZ-CE2 3.13Å; F41-Y300 HydrophobicContact CZ-CG 4.16Å; F41-Y300 AromaticContact CZ-CZ 3.56Å; F41-Y300 VanDerWaalsContact O-CE1 3.26Å; F41-Y300 WeakPolarHBondContact O-CE1 3.36Å; V285-Y300 CarbonylContact C-O 3.54Å; V285-Y300 WeakPolarHBondContact CA-O 3.21Å; V285-Y300 WeakPolarHBondContact CG1-O 3.27Å; Q286-Y300 HydrophobicContact CB-CD1 4.04Å; Q286-Y300 HydrophobicContact CB-CE1 4.28Å; Q286-Y300 PolarHBondContact N-O 2.76Å; S287-Y300 PolarHBondContact N-O 2.9Å; S287-Y300 PolarHBondContact O-N 2.89Å
301S69.1Low62.8Low3 Ų350.3 Ų50.32%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-134.3160.7178.262.10000109.2Y284 E303 C304Y284-S301 WeakPolarHBondContact O-CA 3.41Å; Y284-S301 WeakPolarHBondContact O-CB 3.49Å; S301-E303 PolarHBondContact O-N 2.7Å; S301-C304 PolarHBondContact N-O 3.1Å; S301-C304 CarbonylContact O-C 3.58Å; S301-C304 PolarHBondContact O-N 3.25Å; S301-C304 PolarHBondContact OG-N 2.81Å; S301-C304 PolarHBondContact OG-O 3.18Å; S301-C304 PolarHBondContact OG-SG 3.12Å
302Y63.5Low61.3Low69 Ų6951 Ų5127%0.27126%0.258SS..THydrogen-bonded Turntrans-49.3-30.7177.5-80.5-81.8000114.2E40 Q286E40-Y302 HydrophobicContact CG-CE1 3.71Å; E40-Y302 PolarHBondContact OE1-OH 2.78Å; Q286-Y302 HydrophobicContact CG-CD2 4.39Å; Q286-Y302 HydrophobicContact CG-CE2 4.19Å; Q286-Y302 PolarHBondContact NE2-OH 2.62Å; Q286-Y302 VanDerWaalsContact NE2-OH 3.11Å
303E61.4Low60.2Low134 Ų13449.4 Ų49.463%0.62626%0.263SS*.THydrogen-bonded Turntrans-95.7-18.5-175.5-64.2172.6170.500113.5S283 S301S283-E303 WeakPolarHBondContact CB-OE2 3.38Å; S283-E303 VanDerWaalsContact OG-CD 3.24Å; S283-E303 PolarHBondContact OG-OE2 3.28Å; S301-E303 PolarHBondContact O-N 2.7Å
304C56.6Low59.4Low16 Ų1641.5 Ų41.511%0.10823%0.23CC..EExtended strand (participates in β ladder)trans-169.6159.3-174.471.10000114.2R281 S301R281-C304 WeakPolarHBondContact CD-SG 3.49Å; R281-C304 PolarHBondContact NE-SG 2.94Å; R281-C304 PolarHBondContact NH1-SG 2.74Å; S301-C304 PolarHBondContact N-O 3.1Å; S301-C304 CarbonylContact O-C 3.58Å; S301-C304 PolarHBondContact O-N 3.25Å; S301-C304 PolarHBondContact OG-N 2.81Å; S301-C304 PolarHBondContact OG-O 3.18Å; S301-C304 PolarHBondContact OG-SG 3.12Å
305T56.9Low58.6Low44 Ų4439.5 Ų39.527%0.2722%0.223SC..EExtended strand (participates in β ladder)trans-96.1128157.2-55.70000109
306C54.9Low57.4Low33 Ų3341 Ų4122%0.22324%0.237CC..EExtended strand (participates in β ladder)trans-119.8129.1176.8-176.80000110.1I280 T299I280-C306 HydrophobicContact CG2-CB 4.04Å; T299-C306 PolarHBondContact N-O 2.72Å; T299-C306 PolarHBondContact O-N 2.95Å; T299-C306 VanDerWaalsContact O-O 3.08Å; T299-C306 PolarHBondContact OG1-O 2.85Å
307I53.4Low56.4Low51 Ų5144.8 Ų44.826%0.26225%0.253SS..EExtended strand (participates in β ladder)trans-95.2111.1168.3-50.3-171.7000106.8L31 Q296 L298L31-I307 HydrophobicContact CD1-CD1 4.01Å; L31-I307 HydrophobicContact CG-CD1 4.35Å; Q296-I307 HydrophobicContact CB-CG2 4.46Å; Q296-I307 HydrophobicContact CG-CG2 4.47Å; L298-I307 HydrophobicContact CD2-CB 4.17Å; L298-I307 HydrophobicContact CD2-CD1 3.83Å; L298-I307 HydrophobicContact CD2-CG1 3.56Å; L298-I307 HydrophobicContact CD2-CG2 3.95Å
308S54.6Low55.2Low13 Ų1346.8 Ų46.89%0.09126%0.263CS..EExtended strand (participates in β ladder)trans-99.9123.6169.358.20000108.2L297 L310L297-S308 PolarHBondContact N-O 2.94Å; L297-S308 PolarHBondContact O-N 2.81Å; L297-S308 PolarHBondContact O-OG 2.81Å; S308-L310 PolarHBondContact O-N 3.25Å
309D54.1Low53.7Low81 Ų8154.9 Ų54.943%0.43330%0.299SS..EExtended strand (participates in β ladder)trans-63.4125159.5-74.9-23.8000105.9Q296 G311Q296-D309 VanDerWaalsContact CG-OD1 3.28Å; Q296-D309 WeakPolarHBondContact CG-OD1 3.29Å; Q296-D309 PolarHBondContact NE2-OD1 2.66Å; D309-G311 PolarHBondContact O-N 2.82Å
310L53.5Low52.8Low19 Ų1957.5 Ų57.510%0.09931%0.314CS..  trans-69.978.5166.6-79.7160.4000105.7L290 N295 L297 S308 V314L290-L310 HydrophobicContact CD1-CD1 3.42Å; L290-L310 VanDerWaalsContact CD1-CD1 3.42Å; N295-L310 PolarHBondContact O-N 3Å; L297-L310 HydrophobicContact CB-CD1 3.76Å; L297-L310 HydrophobicContact CB-CD2 4.3Å; L297-L310 HydrophobicContact CB-CG 3.73Å; L297-L310 HydrophobicContact CD2-CD2 4.4Å; S308-L310 PolarHBondContact O-N 3.25Å; L310-V314 HydrophobicContact CD2-CB 3.93Å; L310-V314 HydrophobicContact CD2-CG1 3.82Å; L310-V314 HydrophobicContact CD2-CG2 3.92Å
311G44.5Very low51.9Low31 Ų3160.3 Ų60.332%0.3233%0.329SS..  trans-54.8166.3-17900000110.1D309 S313 V314D309-G311 PolarHBondContact O-N 2.82Å; G311-S313 PolarHBondContact O-N 3.13Å; G311-V314 PolarHBondContact O-N 3.2Å
312T42.3Very low50.9Low94 Ų9463.5 Ų63.558%0.57735%0.347SS*.Hα-helixtrans-50.1-21.617748.30000113V314 S316T312-V314 PolarHBondContact O-N 3.37Å; T312-S316 WeakPolarHBondContact O-CA 3.5Å; T312-S316 WeakPolarHBondContact O-CB 3.37Å; T312-S316 PolarHBondContact O-N 2.9Å; T312-S316 PolarHBondContact O-OG 2.75Å
313S45Very low50.2Low72 Ų7263.2 Ų63.250%0.50335%0.351SS..Hα-helixtrans-65.2-32.8178.1700000114.7G311 S316 K317G311-S313 PolarHBondContact O-N 3.13Å; S313-S316 WeakPolarHBondContact CA-OG 3.43Å; S313-S316 PolarHBondContact O-OG 2.61Å; S313-K317 WeakPolarHBondContact O-CG 3.42Å
314V50Low49.5Very low13 Ų1358.8 Ų58.88%0.07933%0.334CS..Hα-helixtrans-80.4-47.8176.1177.20000109.5I266 L310 G311 T312 S316 K317 I318I266-V314 HydrophobicContact CD1-CG1 3.36Å; I266-V314 HydrophobicContact CD1-CG2 4.48Å; L310-V314 HydrophobicContact CD2-CB 3.93Å; L310-V314 HydrophobicContact CD2-CG1 3.82Å; L310-V314 HydrophobicContact CD2-CG2 3.92Å; G311-V314 PolarHBondContact O-N 3.2Å; T312-V314 PolarHBondContact O-N 3.37Å; V314-S316 VanDerWaalsContact C-N 3.33Å; V314-S316 PolarHBondContact O-N 3.25Å; V314-K317 PolarHBondContact O-N 3.07Å; V314-I318 HydrophobicContact CG1-CD1 4Å; V314-I318 VanDerWaalsContact O-CD1 3.25Å; V314-I318 WeakPolarHBondContact O-CD1 3.28Å; V314-I318 VanDerWaalsContact O-CG1 3.26Å; V314-I318 WeakPolarHBondContact O-CG1 3.47Å
315L50.5Low49Very low53 Ų5361.6 Ų61.628%0.27735%0.349SS..Hα-helixtrans-64.8-32178.3-65.1175000113.3F246 I318F246-L315 HydrophobicContact CZ-CD2 4.42Å; L315-I318 HydrophobicContact CD2-CD1 4.1Å; L315-I318 WeakPolarHBondContact O-CB 3.39Å; L315-I318 PolarHBondContact O-N 3.16Å
316S43.4Very low48.5Very low71 Ų7162.9 Ų62.950%0.49736%0.355SS..Hα-helixtrans-74.6-22.4176.758.80000113.6T312 S313 V314 I318T312-S316 WeakPolarHBondContact O-CA 3.5Å; T312-S316 WeakPolarHBondContact O-CB 3.37Å; T312-S316 PolarHBondContact O-N 2.9Å; T312-S316 PolarHBondContact O-OG 2.75Å; S313-S316 WeakPolarHBondContact CA-OG 3.43Å; S313-S316 PolarHBondContact O-OG 2.61Å; V314-S316 VanDerWaalsContact C-N 3.33Å; V314-S316 PolarHBondContact O-N 3.25Å; S316-I318 VanDerWaalsContact C-N 3.26Å
317K45.9Very low48Very low120 Ų12065.2 Ų65.252%0.52237%0.365SS..THydrogen-bonded Turntrans-81.4-8.5172-71.8177.5-179.4-178.10113S313 V314S313-K317 WeakPolarHBondContact O-CG 3.42Å; V314-K317 PolarHBondContact O-N 3.07Å
318I48.2Very low47.5Very low42 Ų4266.3 Ų66.322%0.21537%0.373CS..THydrogen-bonded Turntrans-91.7-18.7-179.2-65.5162.1000111.1L255 V314 L315 S316L255-I318 HydrophobicContact CD1-CB 4.43Å; L255-I318 HydrophobicContact CD1-CD1 3.11Å; L255-I318 HydrophobicContact CD1-CG1 3.5Å; L255-I318 VanDerWaalsContact CD1-CG1 3.5Å; L255-I318 HydrophobicContact CD1-CG2 4.02Å; V314-I318 HydrophobicContact CG1-CD1 4Å; V314-I318 VanDerWaalsContact O-CD1 3.25Å; V314-I318 WeakPolarHBondContact O-CD1 3.28Å; V314-I318 VanDerWaalsContact O-CG1 3.26Å; V314-I318 WeakPolarHBondContact O-CG1 3.47Å; L315-I318 HydrophobicContact CD2-CD1 4.1Å; L315-I318 WeakPolarHBondContact O-CB 3.39Å; L315-I318 PolarHBondContact O-N 3.16Å; S316-I318 VanDerWaalsContact C-N 3.26Å
319H38.2Very low46.9Very low187 Ų18771.2 Ų71.287%0.86640%0.399SS*.  trans-101.40170.5-65.7-55.8000112

Retrieved 319 of 319 residues in 134.3 ms (Link to these results)