A0A077Z0L7_TRITR Loading...

DUF7107 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z0L7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 132 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
1M38.4Very low41.7Very low232 Ų232147 Ų147100%1.14383%0.828SS**  01090-78.9166.615700108.2
2L37.6Very low41.7Very low134 Ų134144.8 Ų144.870%0.70281%0.81SS**  trans55.583.5156.2-67.6140000119.2
3F41.5Very low41.8Very low214 Ų214145.5 Ų145.594%0.93981%0.81SS**  trans-146.234.3145.4-86.6-72.2000111.6
4I41.8Very low42Very low149 Ų149147.1 Ų147.176%0.76481%0.808SS**  trans-93.780.9163.341.8-100.2000107.9
5L38.4Very low42.2Very low164 Ų164140.3 Ų140.386%0.85979%0.785SS**  trans-174.158.5173.2-102.1164000112.7
6S48.1Very low43.1Very low100 Ų100136.4 Ų136.470%0.69978%0.776SS**  trans-152.427.3167.476.50000116.1V8S6-V8 PolarHBondContact O-N 3.02Å
7L48Very low44.5Very low185 Ų185134.8 Ų134.897%0.96976%0.763SS**THydrogen-bonded Turntrans-79.96.3168.4-80.7166.5000113.2
8V42.3Very low46.8Very low143 Ų143128.6 Ų128.687%0.86773%0.732SS**THydrogen-bonded Turntrans-107.85.1-176.2-172.10000112.3S6S6-V8 PolarHBondContact O-N 3.02Å
9A38.6Very low49.1Very low70 Ų70121.9 Ų121.958%0.57969%0.694SS**SBendtrans-131.241.4-165.900000115.8
10V45.7Very low51.1Low128 Ų128120.8 Ų120.878%0.77669%0.69SS**  trans-152.453.4148.6-160.30000110.1I12V10-I12 PolarHBondContact O-N 3.11Å
11A37.9Very low53Low98 Ų98119.5 Ų119.581%0.8168%0.681SS**  trans-86.924.8153.400000110.4L13A11-L13 PolarHBondContact O-N 3.43Å
12I42.2Very low55.6Low121 Ų121110.6 Ų110.662%0.62164%0.636SS**  trans-80.660.3164.4-43178.4000106.2V10 E14V10-I12 PolarHBondContact O-N 3.11Å; I12-E14 HydrophobicContact CG2-CG 3.93Å; I12-E14 PolarHBondContact O-N 3.1Å; I12-E14 VanDerWaalsContact O-N 3.1Å
13L42.4Very low58.1Low154 Ų154109.1 Ų109.181%0.80664%0.637SS**  trans-75.287.7155-162.876.7000103.4A11 G15A11-L13 PolarHBondContact O-N 3.43Å; L13-G15 PolarHBondContact O-N 3.43Å
14E45.6Very low60.4Low167 Ų167102.6 Ų102.678%0.7861%0.612SS**  trans-51.391.7168.6-85165.9170.500108.5I12 A16I12-E14 HydrophobicContact CG2-CG 3.93Å; I12-E14 PolarHBondContact O-N 3.1Å; I12-E14 VanDerWaalsContact O-N 3.1Å; E14-A16 PolarHBondContact O-N 2.65Å
15G44.7Very low62.8Low45 Ų4596.2 Ų96.246%0.46458%0.58SS.*SBend57.212.6126.100000118.5L13 I17L13-G15 PolarHBondContact O-N 3.43Å; G15-I17 PolarHBondContact O-N 3.37Å
16A55.6Low65.2Low78 Ų7892.7 Ų92.765%0.64557%0.57SS**  trans-88.537.6161.400000110.1E14 A18E14-A16 PolarHBondContact O-N 2.65Å; A16-A18 PolarHBondContact O-N 3.09Å
17I67.9Low67.1Low109 Ų10991.5 Ų91.556%0.55957%0.573SS**  trans-69.6105.6165.6-59.4172000103.9G15 C19G15-I17 PolarHBondContact O-N 3.37Å; I17-C19 PolarHBondContact O-N 3.35Å
18A85.2Confident69Low24 Ų2489 Ų8920%0.19856%0.556CS.*BIsolated β-bridgetrans-52.7134.2170.800000108.3A16 R34 I77 L80A16-A18 PolarHBondContact O-N 3.09Å; A18-R34 CarbonylContact C-O 3.55Å; A18-R34 WeakPolarHBondContact CA-O 3.38Å; A18-I77 HydrophobicContact CB-CD1 3.92Å; A18-L80 HydrophobicContact CB-CD1 3.62Å; A18-L80 HydrophobicContact CB-CD2 3.47Å; A18-L80 VanDerWaalsContact CB-CD2 3.47Å; A18-L80 HydrophobicContact CB-CG 4.09Å
19C91.2Very high71.4Confident1 Ų184.7 Ų84.71%0.00753%0.527CS..  trans-113.9153.2-17756.40000109.3I17 D24 C31 R34 R35I17-C19 PolarHBondContact O-N 3.35Å; C19-D24 HydrophobicContact CB-CB 3.69Å; C19-C31 HydrophobicContact CB-CB 3.73Å; C19-C31 WeakPolarHBondContact CB-SG 3.42Å; C19-C31 PolarHBondContact O-SG 3.49Å; C19-C31 WeakPolarHBondContact SG-CA 2.94Å; C19-C31 WeakPolarHBondContact SG-CB 3.29Å; C19-C31 CovalentContact SG-SG 2.02Å; C19-C31 PolarHBondContact SG-SG 3.1Å; C19-R34 PolarHBondContact N-O 3.5Å; C19-R34 WeakPolarHBondContact O-CA 3.37Å; C19-R34 VanDerWaalsContact O-CB 3.29Å; C19-R34 WeakPolarHBondContact O-CB 3Å; C19-R34 VanDerWaalsContact O-CG 3.31Å; C19-R34 WeakPolarHBondContact O-CG 3.38Å; C19-R35 VanDerWaalsContact SG-CA 3.59Å; C19-R35 PolarHBondContact SG-N 3.15Å
20T89.4Confident73.9Confident99 Ų9981.6 Ų81.661%0.60750%0.501SS*.SBendtrans-106.7-40.3167.9-52.90000109.6D24T20-D24 PolarHBondContact N-OD2 2.04Å
21D91.3Very high76.2Confident94 Ų9476.2 Ų76.250%0.50347%0.469SS..SBendtrans-121.4157.5-175-65.8-73.3000111.5S23 D24 C31D21-S23 PolarHBondContact O-N 3.03Å; D21-D24 PolarHBondContact N-OD2 2.95Å; D21-D24 WeakPolarHBondContact O-CB 3.01Å; D21-D24 PolarHBondContact O-N 3.11Å; D21-C31 WeakPolarHBondContact O-CB 3.35Å
22H91.6Very high78.7Confident45 Ų4573.7 Ų73.721%0.20844%0.438CS..G310 helixtrans-62.2-25.5177.7-62.1-22.7000113.1D24 C25 C31 D49 A59 I61H22-D24 PolarHBondContact O-N 3.06Å; H22-C25 PolarHBondContact O-N 2.93Å; H22-C31 PolarHBondContact CE1-O 3.06Å; H22-C31 WeakPolarHBondContact ND1-CB 3.37Å; H22-C31 PolarHBondContact ND1-N 2.99Å; H22-C31 VanDerWaalsContact ND1-N 3.13Å; H22-C31 PolarHBondContact ND1-O 3.11Å; H22-D49 IonicContact NE2-OD2 3.35Å; H22-A59 WeakPolarHBondContact NE2-CB 3.04Å; H22-I61 HydrophobicContact CB-CD1 4.24Å; H22-I61 HydrophobicContact CB-CG1 4.18Å
23S89.8Confident80.9Confident104 Ų10473.3 Ų73.373%0.72743%0.429SS*.G310 helixtrans-68.7-17.7175.250.90000114.3D21 C25D21-S23 PolarHBondContact O-N 3.03Å; S23-C25 PolarHBondContact O-N 3.25Å
24D90.7Very high83.2Confident77 Ų7769.5 Ų69.541%0.41240%0.404SS..G310 helixtrans-72.3-18.3176.3-60.1-28.1000111.7C19 T20 D21 H22C19-D24 HydrophobicContact CB-CB 3.69Å; T20-D24 PolarHBondContact N-OD2 2.04Å; D21-D24 PolarHBondContact N-OD2 2.95Å; D21-D24 WeakPolarHBondContact O-CB 3.01Å; D21-D24 PolarHBondContact O-N 3.11Å; H22-D24 PolarHBondContact O-N 3.06Å
25C91.4Very high85.3Confident14 Ų1464 Ų6410%0.09538%0.376CS..SBendtrans-96.6136.1-177.1-56.80000111.1H22 S23 Q29 C36H22-C25 PolarHBondContact O-N 2.93Å; S23-C25 PolarHBondContact O-N 3.25Å; C25-Q29 HydrophobicContact CB-CB 3.75Å; C25-C36 WeakPolarHBondContact CA-SG 3.29Å; C25-C36 HydrophobicContact CB-CB 3.74Å; C25-C36 WeakPolarHBondContact CB-SG 3.31Å; C25-C36 WeakPolarHBondContact SG-CA 3.29Å; C25-C36 WeakPolarHBondContact SG-CB 3.47Å; C25-C36 CovalentContact SG-SG 2.04Å; C25-C36 PolarHBondContact SG-SG 2.86Å
26S89.5Confident87.5Confident90 Ų9062.8 Ų62.863%0.62936%0.361SS*.  trans-91.8148.9-179.956.90000112.2Q29S26-Q29 WeakPolarHBondContact O-CG 3.44Å; S26-Q29 PolarHBondContact O-NE2 3.43Å
27G87.4Confident89.2Confident75 Ų7559.6 Ų59.677%0.77333%0.333SS*.SBendtrans67.5-144.9177.500000113Q29G27-Q29 PolarHBondContact O-N 2.77Å; G27-Q29 VanDerWaalsContact O-N 3.1Å
28Q88.4Confident90.4Very high132 Ų13257.6 Ų57.662%0.61733%0.327SS*.SBendtrans-88.361.9-179.7-168.1173.465.700111.1A39Q28-A39 PolarHBondContact O-N 3Å
29Q92.1Very high90.8Very high54 Ų5456.7 Ų56.725%0.25232%0.32SS..EExtended strand (participates in β ladder)trans-125.7157-179.7-66.6-174.887.300110.3C25 S26 G27 V37C25-Q29 HydrophobicContact CB-CB 3.75Å; S26-Q29 WeakPolarHBondContact O-CG 3.44Å; S26-Q29 PolarHBondContact O-NE2 3.43Å; G27-Q29 PolarHBondContact O-N 2.77Å; G27-Q29 VanDerWaalsContact O-N 3.1Å; Q29-V37 CarbonylContact C-O 3.5Å; Q29-V37 WeakPolarHBondContact CA-O 3.43Å; Q29-V37 WeakPolarHBondContact CB-O 3.24Å
30M92.7Very high91Very high5 Ų562 Ų623%0.02534%0.342CS..EExtended strand (participates in β ladder)trans-126.6152.3172.872-178.1-65.400110.9Y32 C36 V37 A39 A59 I61 P68M30-Y32 PolarHBondContact O-N 2.97Å; M30-C36 WeakPolarHBondContact O-CA 3.19Å; M30-V37 HydrophobicContact CG-CG2 3.86Å; M30-V37 PolarHBondContact N-O 3.16Å; M30-V37 PolarHBondContact O-N 2.02Å; M30-A39 HydrophobicContact CB-CB 3.95Å; M30-A39 HydrophobicContact CG-CB 3.96Å; M30-A39 HydrophobicContact SD-CB 4.16Å; M30-A59 HydrophobicContact CE-CB 3.95Å; M30-I61 HydrophobicContact CB-CD1 3.13Å; M30-I61 HydrophobicContact CE-CD1 4.44Å; M30-I61 HydrophobicContact CG-CD1 4.38Å; M30-P68 HydrophobicContact SD-CB 4.44Å; M30-P68 WeakPolarHBondContact SD-CD 2.91Å; M30-P68 HydrophobicContact SD-CG 3.71Å
31C92.5Very high91.3Very high15 Ų1561 Ų6110%0.10134%0.337CS..EExtended strand (participates in β ladder)trans-76.7104.1167.7-168.20000109.8C19 D21 H22C19-C31 HydrophobicContact CB-CB 3.73Å; C19-C31 WeakPolarHBondContact CB-SG 3.42Å; C19-C31 PolarHBondContact O-SG 3.49Å; C19-C31 WeakPolarHBondContact SG-CA 2.94Å; C19-C31 WeakPolarHBondContact SG-CB 3.29Å; C19-C31 CovalentContact SG-SG 2.02Å; C19-C31 PolarHBondContact SG-SG 3.1Å; D21-C31 WeakPolarHBondContact O-CB 3.35Å; H22-C31 PolarHBondContact CE1-O 3.06Å; H22-C31 WeakPolarHBondContact ND1-CB 3.37Å; H22-C31 PolarHBondContact ND1-N 2.99Å; H22-C31 VanDerWaalsContact ND1-N 3.13Å; H22-C31 PolarHBondContact ND1-O 3.11Å
32Y91.2Very high91.5Very high45 Ų4558.7 Ų58.718%0.17633%0.332CS..EExtended strand (participates in β ladder)trans-120.5121.7176.6-174.9-105000109.3M30 R34 R35 V37 P68 P72M30-Y32 PolarHBondContact O-N 2.97Å; Y32-R34 PolarHBondContact O-N 3.29Å; Y32-R35 PolarHBondContact N-O 2.95Å; Y32-R35 PolarHBondContact O-N 2.73Å; Y32-R35 VanDerWaalsContact O-O 3.08Å; Y32-V37 HydrophobicContact CG-CG2 4.41Å; Y32-P68 HydrophobicContact CD1-CG 3.97Å; Y32-P68 HydrophobicContact CD2-CG 3.46Å; Y32-P68 VanDerWaalsContact CD2-CG 3.46Å; Y32-P68 HydrophobicContact CE1-CG 4.27Å; Y32-P68 HydrophobicContact CE2-CG 3.81Å; Y32-P68 HydrophobicContact CG-CB 4.47Å; Y32-P68 HydrophobicContact CG-CG 3.54Å; Y32-P72 HydrophobicContact CD1-CG 3.95Å; Y32-P72 HydrophobicContact CE1-CG 4.26Å
33R88.8Confident91.5Very high113 Ų11358.6 Ų58.643%0.42634%0.343SS..THydrogen-bonded Turntrans52.343-178-66-178.2172.1-176.7-4.2112.4R35 T76R33-R35 PolarHBondContact O-N 3.05Å; R33-T76 HydrophobicContact CB-CG2 3.95Å; R33-T76 VanDerWaalsContact CD-OG1 3.28Å; R33-T76 WeakPolarHBondContact CD-OG1 3.41Å; R33-T76 HydrophobicContact CG-CG2 4.32Å; R33-T76 WeakPolarHBondContact CG-OG1 3.27Å
34R89.7Confident91.7Very high73 Ų7356.1 Ų56.128%0.27533%0.334SS..THydrogen-bonded Turntrans57.926.3-176.4-66.7-164.4172.9176.2-18.1115.3A18 C19 Y32 I77 E78 E84A18-R34 CarbonylContact C-O 3.55Å; A18-R34 WeakPolarHBondContact CA-O 3.38Å; C19-R34 PolarHBondContact N-O 3.5Å; C19-R34 WeakPolarHBondContact O-CA 3.37Å; C19-R34 VanDerWaalsContact O-CB 3.29Å; C19-R34 WeakPolarHBondContact O-CB 3Å; C19-R34 VanDerWaalsContact O-CG 3.31Å; C19-R34 WeakPolarHBondContact O-CG 3.38Å; Y32-R34 PolarHBondContact O-N 3.29Å; R34-I77 HydrophobicContact CB-CB 3.96Å; R34-I77 HydrophobicContact CB-CG2 4.49Å; R34-I77 WeakPolarHBondContact CD-O 3Å; R34-E78 PolarHBondContact NH1-O 3.4Å; R34-E84 IonicContact CZ-OE2 2.87Å; R34-E84 IonicContact NH1-OE2 3.83Å; R34-E84 PolarHBondContact NH1-OE2 3.39Å; R34-E84 IonicContact NH2-OE2 2.64Å; R34-E84 PolarHBondContact NH2-OE2 2.95Å
35R89.6Confident92.1Very high51 Ų5159.5 Ų59.519%0.19235%0.351CS..EExtended strand (participates in β ladder)trans-127.9143.3168.1-67.2-167.9177.886.6-0.7110.3C19 Y32 R33 V37 P75 I77C19-R35 VanDerWaalsContact SG-CA 3.59Å; C19-R35 PolarHBondContact SG-N 3.15Å; Y32-R35 PolarHBondContact N-O 2.95Å; Y32-R35 PolarHBondContact O-N 2.73Å; Y32-R35 VanDerWaalsContact O-O 3.08Å; R33-R35 PolarHBondContact O-N 3.05Å; R35-V37 HydrophobicContact CB-CG1 4.48Å; R35-V37 PolarHBondContact O-N 3.37Å; R35-P75 PolarHBondContact NH1-O 2.95Å; R35-I77 HydrophobicContact CG-CD1 3.81Å; R35-I77 HydrophobicContact CG-CG1 4.38Å; R35-I77 VanDerWaalsContact CZ-CG1 3.42Å
36C91.7Very high92.4Very high21 Ų2159 Ų5914%0.14235%0.347CS..EExtended strand (participates in β ladder)trans-69.7119.5167.6-64.30000109.1C25 M30C25-C36 WeakPolarHBondContact CA-SG 3.29Å; C25-C36 HydrophobicContact CB-CB 3.74Å; C25-C36 WeakPolarHBondContact CB-SG 3.31Å; C25-C36 WeakPolarHBondContact SG-CA 3.29Å; C25-C36 WeakPolarHBondContact SG-CB 3.47Å; C25-C36 CovalentContact SG-SG 2.04Å; C25-C36 PolarHBondContact SG-SG 2.86Å; M30-C36 WeakPolarHBondContact O-CA 3.19Å
37V91.5Very high92.7Very high11 Ų1164.5 Ų64.57%0.06736%0.356CS..EExtended strand (participates in β ladder)trans-125.7148.9175.3-58.70000109.8Q29 M30 Y32 R35 A39 P68 P72Q29-V37 CarbonylContact C-O 3.5Å; Q29-V37 WeakPolarHBondContact CA-O 3.43Å; Q29-V37 WeakPolarHBondContact CB-O 3.24Å; M30-V37 HydrophobicContact CG-CG2 3.86Å; M30-V37 PolarHBondContact N-O 3.16Å; M30-V37 PolarHBondContact O-N 2.02Å; Y32-V37 HydrophobicContact CG-CG2 4.41Å; R35-V37 HydrophobicContact CB-CG1 4.48Å; R35-V37 PolarHBondContact O-N 3.37Å; V37-A39 PolarHBondContact O-N 3.38Å; V37-P68 HydrophobicContact CG2-CB 3.99Å; V37-P68 HydrophobicContact CG2-CG 4.39Å; V37-P72 HydrophobicContact CG1-CB 4.44Å; V37-P72 HydrophobicContact CG1-CG 4.03Å
38P92.5Very high93.1Very high67 Ų6765.3 Ų65.344%0.43534%0.341SS..EExtended strand (participates in β ladder)trans-53.5134.4171.7-24.934.5000110.7A69 V70P38-A69 HydrophobicContact CB-CB 4.18Å; P38-A69 WeakPolarHBondContact O-CB 3.36Å; P38-A69 PolarHBondContact O-N 3.12Å; P38-V70 HydrophobicContact CG-CG2 4.47Å
39A94.5Very high93.4Very high5 Ų561.9 Ų61.94%0.04133%0.327CS..EExtended strand (participates in β ladder)trans-114.3152.8-179.200000110.9Q28 M30 V37 M66 V67Q28-A39 PolarHBondContact O-N 3Å; M30-A39 HydrophobicContact CB-CB 3.95Å; M30-A39 HydrophobicContact CG-CB 3.96Å; M30-A39 HydrophobicContact SD-CB 4.16Å; V37-A39 PolarHBondContact O-N 3.38Å; A39-M66 HydrophobicContact CB-CB 4.25Å; A39-V67 CarbonylContact C-O 3.49Å; A39-V67 VanDerWaalsContact CA-O 3.27Å; A39-V67 WeakPolarHBondContact CA-O 3.34Å
40K95.4Very high93.6Very high111 Ų11166.1 Ų66.148%0.48335%0.347SS..EExtended strand (participates in β ladder)trans-131.9152.7173.868.2177.6-178179.20110.9A42 M66 V67 A69K40-A42 PolarHBondContact O-N 2.84Å; K40-M66 WeakPolarHBondContact O-CA 3.44Å; K40-V67 HydrophobicContact CG-CG2 3.76Å; K40-V67 PolarHBondContact N-O 2.86Å; K40-V67 PolarHBondContact O-N 2.93Å; K40-A69 HydrophobicContact CB-CB 4.1Å; K40-A69 HydrophobicContact CD-CB 4.39Å; K40-A69 HydrophobicContact CG-CB 4.21Å
41P95.6Very high93.8Very high78 Ų7870.9 Ų70.951%0.50637%0.369SS..EExtended strand (participates in β ladder)trans-60.7129.9176.3-22.933.4000111.6I64 M66P41-I64 HydrophobicContact CB-CG2 4.34Å; P41-M66 VanDerWaalsContact CA-SD 3.53Å; P41-M66 HydrophobicContact CB-SD 4.19Å; P41-M66 HydrophobicContact CG-CE 4.3Å; P41-M66 HydrophobicContact CG-SD 3.94Å; P41-M66 VanDerWaalsContact N-SD 3.37Å
42A95.1Very high94Very high47 Ų4770.7 Ų70.739%0.38837%0.368SS..EExtended strand (participates in β ladder)trans-87.9-18.6163.600000111.7K40 Q58 C65 V67K40-A42 PolarHBondContact O-N 2.84Å; A42-Q58 HydrophobicContact CB-CG 4.19Å; A42-C65 PolarHBondContact N-O 2.8Å; A42-V67 HydrophobicContact CB-CG1 3.93Å; A42-V67 HydrophobicContact CB-CG2 4.31Å
43G90.9Very high94.2Very high42 Ų4274.1 Ų74.143%0.43339%0.386SS..EExtended strand (participates in β ladder)trans99.8156-176.600000111.6C65G43-C65 WeakPolarHBondContact O-CB 3.09Å
44G95.4Very high94.4Very high52 Ų5272 Ų7254%0.53639%0.386SS..EExtended strand (participates in β ladder)trans93.7146.3-174.200000113.1I64 C65G44-I64 WeakPolarHBondContact O-CA 3.02Å; G44-C65 PolarHBondContact O-N 3.44Å; G44-C65 VanDerWaalsContact O-N 3.1Å
45L97.4Very high94.4Very high149 Ų14976 Ų7678%0.7841%0.413SS*.EExtended strand (participates in β ladder)trans-96.6146.7173.3-63.1175.6000109.2G63 I64L45-G63 WeakPolarHBondContact CA-O 3.04Å; L45-G63 WeakPolarHBondContact CD2-O 3.42Å; L45-I64 HydrophobicContact CD2-CG1 4.16Å
46C97.4Very high94.4Very high2 Ų279.7 Ų79.71%0.01444%0.435CS..  trans-150.6165.3-176.960.70000111.2Q51 C60 G63C46-Q51 VanDerWaalsContact CA-OE1 3.29Å; C46-Q51 HydrophobicContact CB-CB 3.99Å; C46-C60 HydrophobicContact CB-CB 3.77Å; C46-C60 WeakPolarHBondContact CB-SG 3.15Å; C46-C60 PolarHBondContact O-SG 3.47Å; C46-C60 VanDerWaalsContact O-SG 3.35Å; C46-C60 WeakPolarHBondContact SG-CA 3.36Å; C46-C60 WeakPolarHBondContact SG-CB 3.02Å; C46-C60 CovalentContact SG-SG 2.03Å; C46-C60 PolarHBondContact SG-SG 2.7Å; C46-G63 PolarHBondContact N-O 3.36Å; C46-G63 CarbonylContact O-C 3.53Å; C46-G63 VanDerWaalsContact O-CA 3.25Å; C46-G63 WeakPolarHBondContact O-CA 3.37Å
47Y96.4Very high94.3Very high207 Ų20779.9 Ų79.981%0.81244%0.441SS*.SBendtrans-122.4-24.3171.3-61.4-80.9000112.5C60Y47-C60 PolarHBondContact N-SG 3.34Å
48I95.5Very high94.4Very high91 Ų9181 Ų8147%0.46745%0.445SS..SBendtrans-141.4157.1179.861.8178.8000108.8E50 Q51 C60I48-E50 WeakPolarHBondContact CB-OE2 3.43Å; I48-E50 HydrophobicContact CD1-CB 4.34Å; I48-E50 WeakPolarHBondContact CD1-OE2 3.33Å; I48-E50 HydrophobicContact CG1-CB 4.45Å; I48-E50 WeakPolarHBondContact CG1-OE2 2.95Å; I48-E50 PolarHBondContact O-N 2.8Å; I48-Q51 HydrophobicContact CG1-CG 3.86Å; I48-Q51 WeakPolarHBondContact O-CB 3.02Å; I48-Q51 PolarHBondContact O-N 3.43Å; I48-Q51 VanDerWaalsContact O-N 3.17Å; I48-C60 VanDerWaalsContact C-CB 3.45Å; I48-C60 WeakPolarHBondContact O-CB 3.35Å
49D95.2Very high94.6Very high60 Ų6078 Ų7832%0.32143%0.427SS..G310 helixtrans-60.6-33.6-174.8-69.6-11.1000112.5H22 Q51 C52 T54 C60H22-D49 IonicContact NE2-OD2 3.35Å; D49-Q51 PolarHBondContact O-N 2.83Å; D49-Q51 VanDerWaalsContact O-N 3.08Å; D49-C52 WeakPolarHBondContact O-CB 3.38Å; D49-C52 PolarHBondContact O-N 3.36Å; D49-T54 HydrophobicContact CB-CG2 4.28Å; D49-T54 WeakPolarHBondContact O-CG2 3.42Å; D49-C60 WeakPolarHBondContact OD1-CA 3.03Å; D49-C60 WeakPolarHBondContact OD1-CB 3.42Å; D49-C60 PolarHBondContact OD1-N 2.73Å
50E95.8Very high94.6Very high144 Ų14478.7 Ų78.767%0.67343%0.431SS*.G310 helixtrans-66.1-10.9-178.9-59.978.8-172.700113.8I48 C52I48-E50 WeakPolarHBondContact CB-OE2 3.43Å; I48-E50 HydrophobicContact CD1-CB 4.34Å; I48-E50 WeakPolarHBondContact CD1-OE2 3.33Å; I48-E50 HydrophobicContact CG1-CB 4.45Å; I48-E50 WeakPolarHBondContact CG1-OE2 2.95Å; I48-E50 PolarHBondContact O-N 2.8Å; E50-C52 VanDerWaalsContact C-N 3.3Å
51Q96.9Very high94.6Very high104 Ų10474.3 Ų74.349%0.48641%0.412SS..G310 helixtrans-85-7.1171.8-67.4178.5-18.900112.9C46 I48 D49C46-Q51 VanDerWaalsContact CA-OE1 3.29Å; C46-Q51 HydrophobicContact CB-CB 3.99Å; I48-Q51 HydrophobicContact CG1-CG 3.86Å; I48-Q51 WeakPolarHBondContact O-CB 3.02Å; I48-Q51 PolarHBondContact O-N 3.43Å; I48-Q51 VanDerWaalsContact O-N 3.17Å; D49-Q51 PolarHBondContact O-N 2.83Å; D49-Q51 VanDerWaalsContact O-N 3.08Å
52C97.1Very high94.4Very high11 Ų1176.4 Ų76.47%0.07443%0.429CS..SBendtrans-105.4167175.4-54.50000110.5D49 E50 T54 Q58 C65D49-C52 WeakPolarHBondContact O-CB 3.38Å; D49-C52 PolarHBondContact O-N 3.36Å; E50-C52 VanDerWaalsContact C-N 3.3Å; C52-T54 VanDerWaalsContact C-N 3.26Å; C52-T54 PolarHBondContact O-N 3.01Å; C52-Q58 HydrophobicContact CB-CB 3.72Å; C52-C65 VanDerWaalsContact CA-SG 3.51Å; C52-C65 HydrophobicContact CB-CB 3.76Å; C52-C65 WeakPolarHBondContact CB-SG 3.45Å; C52-C65 WeakPolarHBondContact SG-CA 3.39Å; C52-C65 WeakPolarHBondContact SG-CB 3.32Å; C52-C65 CovalentContact SG-SG 2.04Å; C52-C65 PolarHBondContact SG-SG 2.71Å
53E95.7Very high94.3Very high117 Ų11775.6 Ų75.655%0.54743%0.425SS..  trans-76.275.8175.5-58.5-71161.900110.5D55 L56 Q58E53-D55 PolarHBondContact O-N 3.38Å; E53-L56 HydrophobicContact CB-CB 4.13Å; E53-L56 HydrophobicContact CB-CD1 3.89Å; E53-L56 HydrophobicContact CB-CG 4.06Å; E53-L56 HydrophobicContact CG-CD1 4.31Å; E53-L56 WeakPolarHBondContact O-CA 3.33Å; E53-L56 WeakPolarHBondContact O-CB 3.47Å; E53-L56 PolarHBondContact O-N 2.93Å; E53-Q58 HydrophobicContact CB-CG 4.01Å; E53-Q58 WeakPolarHBondContact O-CB 3.09Å; E53-Q58 WeakPolarHBondContact O-CG 3.18Å; E53-Q58 PolarHBondContact O-N 2.81Å
54T92.3Very high94.5Very high69 Ų6976.4 Ų76.442%0.42342%0.419SS..G310 helixtrans-60.1-32.9-175.454.10000112.9D49 C52 L56 G57D49-T54 HydrophobicContact CB-CG2 4.28Å; D49-T54 WeakPolarHBondContact O-CG2 3.42Å; C52-T54 VanDerWaalsContact C-N 3.26Å; C52-T54 PolarHBondContact O-N 3.01Å; T54-L56 PolarHBondContact O-N 3.03Å; T54-G57 WeakPolarHBondContact O-CA 3.49Å; T54-G57 PolarHBondContact O-N 3.27Å
55D90.6Very high94.6Very high158 Ų15874.1 Ų74.185%0.84539%0.394SS*.G310 helixtrans-61.8-25173.6-68.3-39.1000112.9E53 G57E53-D55 PolarHBondContact O-N 3.38Å; D55-G57 VanDerWaalsContact C-N 3.32Å
56L89.1Confident94.6Very high128 Ų12867.6 Ų67.667%0.6736%0.36SS*.G310 helixtrans-91.76.2174.1-57.7-178000112.7E53 T54 Q58E53-L56 HydrophobicContact CB-CB 4.13Å; E53-L56 HydrophobicContact CB-CD1 3.89Å; E53-L56 HydrophobicContact CB-CG 4.06Å; E53-L56 HydrophobicContact CG-CD1 4.31Å; E53-L56 WeakPolarHBondContact O-CA 3.33Å; E53-L56 WeakPolarHBondContact O-CB 3.47Å; E53-L56 PolarHBondContact O-N 2.93Å; T54-L56 PolarHBondContact O-N 3.03Å; L56-Q58 VanDerWaalsContact C-N 3.35Å; L56-Q58 HydrophobicContact CB-CG 4.43Å
57G89.4Confident94.5Very high25 Ų2568.7 Ų68.726%0.25837%0.367SS..THydrogen-bonded Turntrans74.124-176.600000113.6T54 D55T54-G57 WeakPolarHBondContact O-CA 3.49Å; T54-G57 PolarHBondContact O-N 3.27Å; D55-G57 VanDerWaalsContact C-N 3.32Å
58Q95Very high94.3Very high33 Ų3359.7 Ų59.715%0.15433%0.333CS..  trans-79.3150.5169.2-51.7-167.88.100110.7A42 C52 E53 L56 M66 V67A42-Q58 HydrophobicContact CB-CG 4.19Å; C52-Q58 HydrophobicContact CB-CB 3.72Å; E53-Q58 HydrophobicContact CB-CG 4.01Å; E53-Q58 WeakPolarHBondContact O-CB 3.09Å; E53-Q58 WeakPolarHBondContact O-CG 3.18Å; E53-Q58 PolarHBondContact O-N 2.81Å; L56-Q58 VanDerWaalsContact C-N 3.35Å; L56-Q58 HydrophobicContact CB-CG 4.43Å; Q58-M66 CarbonylContact C-O 3.58Å; Q58-M66 VanDerWaalsContact CA-O 3.23Å; Q58-M66 WeakPolarHBondContact CA-O 3.39Å; Q58-V67 HydrophobicContact CB-CG1 4.17Å; Q58-V67 HydrophobicContact CG-CG1 3.56Å
59A95.6Very high94.2Very high6 Ų657.4 Ų57.45%0.0533%0.329CS..EExtended strand (participates in β ladder)trans-149159.6171.200000111.2H22 M30 I61 C65 M66H22-A59 WeakPolarHBondContact NE2-CB 3.04Å; M30-A59 HydrophobicContact CE-CB 3.95Å; A59-I61 PolarHBondContact O-N 3.04Å; A59-C65 WeakPolarHBondContact O-CA 3.38Å; A59-M66 PolarHBondContact N-O 3.26Å; A59-M66 PolarHBondContact O-N 2.59Å
60C95.7Very high93.8Very high18 Ų1859 Ų5912%0.12234%0.34CS..EExtended strand (participates in β ladder)trans-87.3112.1-175.6-168.50000111.7C46 Y47 I48 D49C46-C60 HydrophobicContact CB-CB 3.77Å; C46-C60 WeakPolarHBondContact CB-SG 3.15Å; C46-C60 PolarHBondContact O-SG 3.47Å; C46-C60 VanDerWaalsContact O-SG 3.35Å; C46-C60 WeakPolarHBondContact SG-CA 3.36Å; C46-C60 WeakPolarHBondContact SG-CB 3.02Å; C46-C60 CovalentContact SG-SG 2.03Å; C46-C60 PolarHBondContact SG-SG 2.7Å; Y47-C60 PolarHBondContact N-SG 3.34Å; I48-C60 VanDerWaalsContact C-CB 3.45Å; I48-C60 WeakPolarHBondContact O-CB 3.35Å; D49-C60 WeakPolarHBondContact OD1-CA 3.03Å; D49-C60 WeakPolarHBondContact OD1-CB 3.42Å; D49-C60 PolarHBondContact OD1-N 2.73Å
61I94.4Very high93.2Very high20 Ų2060.5 Ų60.510%0.10334%0.344CS..EExtended strand (participates in β ladder)trans-132.8121.2-176.7-55.4178.1000108.8H22 M30 A59 G63 I64 M66H22-I61 HydrophobicContact CB-CD1 4.24Å; H22-I61 HydrophobicContact CB-CG1 4.18Å; M30-I61 HydrophobicContact CB-CD1 3.13Å; M30-I61 HydrophobicContact CE-CD1 4.44Å; M30-I61 HydrophobicContact CG-CD1 4.38Å; A59-I61 PolarHBondContact O-N 3.04Å; I61-G63 PolarHBondContact O-N 2.68Å; I61-I64 PolarHBondContact N-O 2.03Å; I61-I64 PolarHBondContact O-N 3.11Å; I61-I64 VanDerWaalsContact O-O 3.1Å; I61-M66 HydrophobicContact CB-CB 4.3Å; I61-M66 HydrophobicContact CB-CG 3.82Å; I61-M66 HydrophobicContact CD1-CB 4.05Å; I61-M66 HydrophobicContact CD1-CG 4.4Å; I61-M66 HydrophobicContact CG1-CB 4.35Å; I61-M66 HydrophobicContact CG1-CG 4.41Å
62S91Very high92.1Very high121 Ų12156.5 Ų56.585%0.84633%0.328SS*.THydrogen-bonded Turntrans53.535.6-177.8-52.80000113.2
63G93.9Very high91.3Very high30 Ų3061.3 Ų61.331%0.30936%0.358SS..THydrogen-bonded Turntrans83.97.1175.800000115.6L45 C46 I61L45-G63 WeakPolarHBondContact CA-O 3.04Å; L45-G63 WeakPolarHBondContact CD2-O 3.42Å; C46-G63 PolarHBondContact N-O 3.36Å; C46-G63 CarbonylContact O-C 3.53Å; C46-G63 VanDerWaalsContact O-CA 3.25Å; C46-G63 WeakPolarHBondContact O-CA 3.37Å; I61-G63 PolarHBondContact O-N 2.68Å
64I95.5Very high90.5Very high59 Ų5962.4 Ų62.430%0.30336%0.359SS..EExtended strand (participates in β ladder)trans-130.6140.4-177.9-58173.5000109P41 G44 L45 I61 M66P41-I64 HydrophobicContact CB-CG2 4.34Å; G44-I64 WeakPolarHBondContact O-CA 3.02Å; L45-I64 HydrophobicContact CD2-CG1 4.16Å; I61-I64 PolarHBondContact N-O 2.03Å; I61-I64 PolarHBondContact O-N 3.11Å; I61-I64 VanDerWaalsContact O-O 3.1Å; I64-M66 HydrophobicContact CB-CE 4.12Å; I64-M66 HydrophobicContact CG2-CE 4.25Å; I64-M66 PolarHBondContact O-N 3.24Å
65C97.1Very high89.9Confident4 Ų463 Ų633%0.02736%0.363CS..EExtended strand (participates in β ladder)trans-69.7120.8172.3-62.80000110.2A42 G43 G44 C52 A59A42-C65 PolarHBondContact N-O 2.8Å; G43-C65 WeakPolarHBondContact O-CB 3.09Å; G44-C65 PolarHBondContact O-N 3.44Å; G44-C65 VanDerWaalsContact O-N 3.1Å; C52-C65 VanDerWaalsContact CA-SG 3.51Å; C52-C65 HydrophobicContact CB-CB 3.76Å; C52-C65 WeakPolarHBondContact CB-SG 3.45Å; C52-C65 WeakPolarHBondContact SG-CA 3.39Å; C52-C65 WeakPolarHBondContact SG-CB 3.32Å; C52-C65 CovalentContact SG-SG 2.04Å; C52-C65 PolarHBondContact SG-SG 2.71Å; A59-C65 WeakPolarHBondContact O-CA 3.38Å
66M96.7Very high89.7Confident13 Ų1358.3 Ų58.36%0.06434%0.341CS..EExtended strand (participates in β ladder)trans-117.1156-177.2-65.4-70.4-173.700110.7A39 K40 P41 Q58 A59 I61 I64A39-M66 HydrophobicContact CB-CB 4.25Å; K40-M66 WeakPolarHBondContact O-CA 3.44Å; P41-M66 VanDerWaalsContact CA-SD 3.53Å; P41-M66 HydrophobicContact CB-SD 4.19Å; P41-M66 HydrophobicContact CG-CE 4.3Å; P41-M66 HydrophobicContact CG-SD 3.94Å; P41-M66 VanDerWaalsContact N-SD 3.37Å; Q58-M66 CarbonylContact C-O 3.58Å; Q58-M66 VanDerWaalsContact CA-O 3.23Å; Q58-M66 WeakPolarHBondContact CA-O 3.39Å; A59-M66 PolarHBondContact N-O 3.26Å; A59-M66 PolarHBondContact O-N 2.59Å; I61-M66 HydrophobicContact CB-CB 4.3Å; I61-M66 HydrophobicContact CB-CG 3.82Å; I61-M66 HydrophobicContact CD1-CB 4.05Å; I61-M66 HydrophobicContact CD1-CG 4.4Å; I61-M66 HydrophobicContact CG1-CB 4.35Å; I61-M66 HydrophobicContact CG1-CG 4.41Å; I64-M66 HydrophobicContact CB-CE 4.12Å; I64-M66 HydrophobicContact CG2-CE 4.25Å; I64-M66 PolarHBondContact O-N 3.24Å
67V95.5Very high89.7Confident24 Ų2452.6 Ų52.615%0.14531%0.311CS..EExtended strand (participates in β ladder)trans-131.4161.2171.2-71.50000110.4A39 K40 A42 Q58 A69A39-V67 CarbonylContact C-O 3.49Å; A39-V67 VanDerWaalsContact CA-O 3.27Å; A39-V67 WeakPolarHBondContact CA-O 3.34Å; K40-V67 HydrophobicContact CG-CG2 3.76Å; K40-V67 PolarHBondContact N-O 2.86Å; K40-V67 PolarHBondContact O-N 2.93Å; A42-V67 HydrophobicContact CB-CG1 3.93Å; A42-V67 HydrophobicContact CB-CG2 4.31Å; Q58-V67 HydrophobicContact CB-CG1 4.17Å; Q58-V67 HydrophobicContact CG-CG1 3.56Å; V67-A69 PolarHBondContact O-N 3.16Å; V67-A69 VanDerWaalsContact O-N 3.17Å
68P93.2Very high89.8Confident18 Ų1856.1 Ų56.112%0.11732%0.321CS..EExtended strand (participates in β ladder)trans-55.9124.6170.3-24.134.4000110.3M30 Y32 V37 V70M30-P68 HydrophobicContact SD-CB 4.44Å; M30-P68 WeakPolarHBondContact SD-CD 2.91Å; M30-P68 HydrophobicContact SD-CG 3.71Å; Y32-P68 HydrophobicContact CD1-CG 3.97Å; Y32-P68 HydrophobicContact CD2-CG 3.46Å; Y32-P68 VanDerWaalsContact CD2-CG 3.46Å; Y32-P68 HydrophobicContact CE1-CG 4.27Å; Y32-P68 HydrophobicContact CE2-CG 3.81Å; Y32-P68 HydrophobicContact CG-CB 4.47Å; Y32-P68 HydrophobicContact CG-CG 3.54Å; V37-P68 HydrophobicContact CG2-CB 3.99Å; V37-P68 HydrophobicContact CG2-CG 4.39Å; P68-V70 WeakPolarHBondContact CB-O 3.43Å; P68-V70 PolarHBondContact O-N 3.24Å
69A92.9Very high89.7Confident44 Ų4454.6 Ų54.636%0.36431%0.313SS..SBendtrans-67-30.5174.700000111P38 K40 V67P38-A69 HydrophobicContact CB-CB 4.18Å; P38-A69 WeakPolarHBondContact O-CB 3.36Å; P38-A69 PolarHBondContact O-N 3.12Å; K40-A69 HydrophobicContact CB-CB 4.1Å; K40-A69 HydrophobicContact CD-CB 4.39Å; K40-A69 HydrophobicContact CG-CB 4.21Å; V67-A69 PolarHBondContact O-N 3.16Å; V67-A69 VanDerWaalsContact O-N 3.17Å
70V87.3Confident89.4Confident92 Ų9258.3 Ų58.356%0.55833%0.332SS*.SBendtrans-130.8131.8173.4-124.50000108P38 P68 P72P38-V70 HydrophobicContact CG-CG2 4.47Å; P68-V70 WeakPolarHBondContact CB-O 3.43Å; P68-V70 PolarHBondContact O-N 3.24Å; V70-P72 VanDerWaalsContact O-CD 3.23Å; V70-P72 WeakPolarHBondContact O-CD 3.2Å
71K82Confident89.2Confident176 Ų17660.5 Ų60.577%0.76535%0.345SS*.  trans-77.3112.5169.2-72.7-176.4179.7179.90107.4
72P74.1Confident89.1Confident21 Ų2159.7 Ų59.714%0.13634%0.341CS..  trans-60.7139.3179.623.3-32.3000110Y32 V37 V70 Y74Y32-P72 HydrophobicContact CD1-CG 3.95Å; Y32-P72 HydrophobicContact CE1-CG 4.26Å; V37-P72 HydrophobicContact CG1-CB 4.44Å; V37-P72 HydrophobicContact CG1-CG 4.03Å; V70-P72 VanDerWaalsContact O-CD 3.23Å; V70-P72 WeakPolarHBondContact O-CD 3.2Å; P72-Y74 HydrophobicContact CB-CD2 3.84Å; P72-Y74 HydrophobicContact CB-CE2 4.35Å; P72-Y74 PolarHBondContact O-N 2.96Å
73P80.2Confident89.1Confident111 Ų11159.9 Ų59.972%0.72133%0.328SS*.SBendtrans-73.6-4.6178.831.6-36.1000112.8
74Y78.1Confident89Confident141 Ų14161.5 Ų61.555%0.55333%0.328SS*.SBendtrans-90.8150-174.3-36.9-70.7000111.6P72P72-Y74 HydrophobicContact CB-CD2 3.84Å; P72-Y74 HydrophobicContact CB-CE2 4.35Å; P72-Y74 PolarHBondContact O-N 2.96Å
75P81Confident89Confident80 Ų8058.8 Ų58.852%0.51931%0.314SS..PPolyproline II helixtrans-67161.4173.528.6-34000111.7R35R35-P75 PolarHBondContact NH1-O 2.95Å
76T85.7Confident88.7Confident61 Ų6164 Ų6437%0.37435%0.346SS..PPolyproline II helixtrans-58.7138.8172.5-52.80000110.8R33 E78R33-T76 HydrophobicContact CB-CG2 3.95Å; R33-T76 VanDerWaalsContact CD-OG1 3.28Å; R33-T76 WeakPolarHBondContact CD-OG1 3.41Å; R33-T76 HydrophobicContact CG-CG2 4.32Å; R33-T76 WeakPolarHBondContact CG-OG1 3.27Å; T76-E78 PolarHBondContact O-N 2.89Å
77I89.6Confident88.5Confident7 Ų765.7 Ų65.74%0.03637%0.366CS..  trans-74.7114.8166.6-61-179.4000106.7A18 R34 R35 C79 L80 L94A18-I77 HydrophobicContact CB-CD1 3.92Å; R34-I77 HydrophobicContact CB-CB 3.96Å; R34-I77 HydrophobicContact CB-CG2 4.49Å; R34-I77 WeakPolarHBondContact CD-O 3Å; R35-I77 HydrophobicContact CG-CD1 3.81Å; R35-I77 HydrophobicContact CG-CG1 4.38Å; R35-I77 VanDerWaalsContact CZ-CG1 3.42Å; I77-C79 WeakPolarHBondContact CG2-O 3.44Å; I77-L80 HydrophobicContact CG2-CD2 3.71Å; I77-L80 HydrophobicContact CG2-CG 4.32Å; I77-L94 HydrophobicContact CB-CB 4.48Å; I77-L94 HydrophobicContact CD1-CD1 4.06Å; I77-L94 HydrophobicContact CG1-CB 4.39Å; I77-L94 HydrophobicContact CG1-CD1 3.98Å; I77-L94 HydrophobicContact CG2-CB 4.08Å; I77-L94 HydrophobicContact CG2-CD2 4.31Å
78E91.5Very high88.3Confident100 Ų10071 Ų7147%0.46739%0.39SS..  trans-83.3-33178.9-58.4-174.9163.500111.8R34 T76 L94 C96R34-E78 PolarHBondContact NH1-O 3.4Å; T76-E78 PolarHBondContact O-N 2.89Å; E78-L94 PolarHBondContact N-O 2.97Å; E78-C96 PolarHBondContact OE2-N 2.78Å
79C92.3Very high88.3Confident0 Ų075.5 Ų75.50%040%0.404CS..  trans-151.2154.9-177.360.60000111.3I77 E84 C85 C91 L94 Q95I77-C79 WeakPolarHBondContact CG2-O 3.44Å; C79-E84 HydrophobicContact CB-CB 4.03Å; C79-C85 VanDerWaalsContact SG-SG 3.62Å; C79-C91 HydrophobicContact CB-CB 3.77Å; C79-C91 WeakPolarHBondContact CB-SG 3.43Å; C79-C91 PolarHBondContact O-SG 2.04Å; C79-C91 WeakPolarHBondContact SG-CA 2.93Å; C79-C91 WeakPolarHBondContact SG-CB 3.44Å; C79-C91 CovalentContact SG-SG 2.03Å; C79-C91 PolarHBondContact SG-SG 2.81Å; C79-L94 PolarHBondContact N-O 3.05Å; C79-L94 WeakPolarHBondContact O-CA 3.43Å; C79-Q95 PolarHBondContact SG-O 2.93Å
80L90.2Very high88.4Confident84 Ų8473.4 Ų73.444%0.4439%0.387SS..SBendtrans-112-32.8166.8-57.8172.2000111.1A18 I77 E84 L94A18-L80 HydrophobicContact CB-CD1 3.62Å; A18-L80 HydrophobicContact CB-CD2 3.47Å; A18-L80 VanDerWaalsContact CB-CD2 3.47Å; A18-L80 HydrophobicContact CB-CG 4.09Å; I77-L80 HydrophobicContact CG2-CD2 3.71Å; I77-L80 HydrophobicContact CG2-CG 4.32Å; L80-E84 WeakPolarHBondContact CA-OE1 3.27Å; L80-E84 VanDerWaalsContact CB-OE1 3.31Å; L80-E84 WeakPolarHBondContact CB-OE1 3.31Å; L80-E84 PolarHBondContact N-OE1 2.84Å; L80-L94 HydrophobicContact CD2-CD2 4.04Å
81T91Very high88.7Confident64 Ų6469.3 Ų69.339%0.39336%0.362SS..SBendtrans-124.1162.1176.181.90000111.2E83 E84 C91T81-E83 WeakPolarHBondContact CB-OE2 3.36Å; T81-E83 PolarHBondContact O-N 3.29Å; T81-E83 PolarHBondContact OG1-OE2 3.04Å; T81-E84 PolarHBondContact N-OE1 2.04Å; T81-E84 VanDerWaalsContact N-OE1 3.11Å; T81-E84 PolarHBondContact O-N 2.87Å; T81-C91 VanDerWaalsContact C-CB 3.49Å; T81-C91 WeakPolarHBondContact O-CB 2.93Å
82D91.3Very high89.1Confident4 Ų465.1 Ų65.12%0.02134%0.344CS..G310 helixtrans-57.6-43.5178.1-68.4-46.1000110.2E84 C85 L90 C91 Y109 R117 R119D82-E84 PolarHBondContact O-N 2.64Å; D82-C85 WeakPolarHBondContact O-CB 3.45Å; D82-C85 PolarHBondContact O-N 3.28Å; D82-L90 HydrophobicContact CB-CD2 4.31Å; D82-L90 WeakPolarHBondContact OD1-CA 3.19Å; D82-L90 WeakPolarHBondContact OD1-CD2 3.42Å; D82-C91 PolarHBondContact OD1-N 3.03Å; D82-Y109 PolarHBondContact OD2-OH 2.96Å; D82-R117 WeakPolarHBondContact OD1-CD 3.42Å; D82-R117 IonicContact OD1-NE 3.16Å; D82-R117 WeakPolarHBondContact OD2-CD 3.29Å; D82-R117 IonicContact OD2-NE 3.19Å; D82-R119 PolarHBondContact O-NH1 2.96Å; D82-R119 PolarHBondContact O-NH2 2.93Å
83E91Very high89.8Confident124 Ų12470.4 Ų70.458%0.57937%0.371SS*.G310 helixtrans-52.8-27.6-175-64.873.2-15900114.1T81 C85T81-E83 WeakPolarHBondContact CB-OE2 3.36Å; T81-E83 PolarHBondContact O-N 3.29Å; T81-E83 PolarHBondContact OG1-OE2 3.04Å; E83-C85 VanDerWaalsContact C-N 3.32Å
84E93.2Very high90.4Very high65 Ų6568.3 Ų68.330%0.30435%0.354SS..G310 helixtrans-72.6-24.1177.2-62.1-178.7-117.600113.6R34 C79 L80 T81 D82R34-E84 IonicContact CZ-OE2 2.87Å; R34-E84 IonicContact NH1-OE2 3.83Å; R34-E84 PolarHBondContact NH1-OE2 3.39Å; R34-E84 IonicContact NH2-OE2 2.64Å; R34-E84 PolarHBondContact NH2-OE2 2.95Å; C79-E84 HydrophobicContact CB-CB 4.03Å; L80-E84 WeakPolarHBondContact CA-OE1 3.27Å; L80-E84 VanDerWaalsContact CB-OE1 3.31Å; L80-E84 WeakPolarHBondContact CB-OE1 3.31Å; L80-E84 PolarHBondContact N-OE1 2.84Å; T81-E84 PolarHBondContact N-OE1 2.04Å; T81-E84 VanDerWaalsContact N-OE1 3.11Å; T81-E84 PolarHBondContact O-N 2.87Å; D82-E84 PolarHBondContact O-N 2.64Å
85C94.1Very high91Very high2 Ų265.9 Ų65.91%0.01435%0.347CS..SBendtrans-80.7129176.8-59.40000110.9C79 D82 E83 R89 C96 R119C79-C85 VanDerWaalsContact SG-SG 3.62Å; D82-C85 WeakPolarHBondContact O-CB 3.45Å; D82-C85 PolarHBondContact O-N 3.28Å; E83-C85 VanDerWaalsContact C-N 3.32Å; C85-R89 HydrophobicContact CB-CB 3.89Å; C85-C96 WeakPolarHBondContact CA-SG 3.23Å; C85-C96 HydrophobicContact CB-CB 3.76Å; C85-C96 WeakPolarHBondContact CB-SG 3.28Å; C85-C96 WeakPolarHBondContact SG-CA 3.37Å; C85-C96 WeakPolarHBondContact SG-CB 3.01Å; C85-C96 CovalentContact SG-SG 2.04Å; C85-C96 PolarHBondContact SG-SG 3Å; C85-R119 PolarHBondContact O-NH2 3.28Å
86T92.6Very high91.7Very high114 Ų11462.8 Ų62.870%0.69933%0.328SS*.  trans-83.9151.3176.258.90000111.9R89T86-R89 VanDerWaalsContact O-CD 3.32Å; T86-R89 WeakPolarHBondContact O-CD 3.38Å; T86-R89 WeakPolarHBondContact O-CG 3.27Å
87G91Very high92.1Very high47 Ų4761.8 Ų61.849%0.48532%0.321SS..SBendtrans67.6-157.3179.400000113.6R89 Y120G87-R89 PolarHBondContact O-N 3.44Å; G87-Y120 WeakPolarHBondContact O-CE2 3.49Å; G87-Y120 PolarHBondContact O-OH 2.87Å
88Q90.9Very high92.3Very high136 Ų13664 Ų6464%0.63634%0.34SS*.SBendtrans-81.164.7-178.5-66.5178.2-14.800111.2A99 W124Q88-A99 PolarHBondContact O-N 3.39Å; Q88-W124 HydrophobicContact CB-CH2 4.13Å; Q88-W124 HydrophobicContact CB-CZ3 3.89Å; Q88-W124 HydrophobicContact CG-CH2 3.81Å; Q88-W124 HydrophobicContact CG-CZ3 4.1Å
89R94Very high92.5Very high112 Ų11259.5 Ų59.542%0.42332%0.321SS..EExtended strand (participates in β ladder)trans-129.3156.9-176.7-62.2179.695.7156.81.7110.6C85 T86 G87 C96 V97 R119C85-R89 HydrophobicContact CB-CB 3.89Å; T86-R89 VanDerWaalsContact O-CD 3.32Å; T86-R89 WeakPolarHBondContact O-CD 3.38Å; T86-R89 WeakPolarHBondContact O-CG 3.27Å; G87-R89 PolarHBondContact O-N 3.44Å; R89-C96 PolarHBondContact NE-O 2.96Å; R89-C96 PolarHBondContact NH2-O 3.22Å; R89-V97 CarbonylContact C-O 3.55Å; R89-V97 WeakPolarHBondContact CA-O 3.48Å; R89-V97 WeakPolarHBondContact CB-O 3.47Å; R89-R119 PolarHBondContact O-NH1 3.2Å
90L94.2Very high92.6Very high0 Ų062.5 Ų62.50%034%0.339CS..EExtended strand (participates in β ladder)trans-122.6154171.5-68.4177.1000109.7D82 F92 C96 V97 A99 R117 R119 W124D82-L90 HydrophobicContact CB-CD2 4.31Å; D82-L90 WeakPolarHBondContact OD1-CA 3.19Å; D82-L90 WeakPolarHBondContact OD1-CD2 3.42Å; L90-F92 PolarHBondContact O-N 2.79Å; L90-C96 WeakPolarHBondContact O-CA 3.28Å; L90-V97 PolarHBondContact N-O 3.27Å; L90-V97 PolarHBondContact O-N 3.1Å; L90-A99 HydrophobicContact CB-CB 4.19Å; L90-A99 HydrophobicContact CD1-CB 3.81Å; L90-A99 HydrophobicContact CG-CB 3.55Å; L90-R117 HydrophobicContact CD1-CB 4.15Å; L90-R117 HydrophobicContact CD1-CG 4.42Å; L90-R117 HydrophobicContact CD2-CB 4.07Å; L90-R119 HydrophobicContact CD2-CB 4.32Å; L90-W124 HydrophobicContact CD1-CB 3.75Å; L90-W124 HydrophobicContact CD2-CB 4.21Å; L90-W124 HydrophobicContact CG-CB 4.22Å
91C93.7Very high92.7Very high7 Ų760.3 Ų60.35%0.04733%0.331CS..EExtended strand (participates in β ladder)trans-81.8110.2169-166.50000109.4C79 T81 D82 R117C79-C91 HydrophobicContact CB-CB 3.77Å; C79-C91 WeakPolarHBondContact CB-SG 3.43Å; C79-C91 PolarHBondContact O-SG 2.04Å; C79-C91 WeakPolarHBondContact SG-CA 2.93Å; C79-C91 WeakPolarHBondContact SG-CB 3.44Å; C79-C91 CovalentContact SG-SG 2.03Å; C79-C91 PolarHBondContact SG-SG 2.81Å; T81-C91 VanDerWaalsContact C-CB 3.49Å; T81-C91 WeakPolarHBondContact O-CB 2.93Å; D82-C91 PolarHBondContact OD1-N 3.03Å; C91-R117 PolarHBondContact O-NE 3.18Å; C91-R117 PolarHBondContact O-NH2 3.3Å
92F91.5Very high92.7Very high87 Ų8759.6 Ų59.638%0.38233%0.326SS..EExtended strand (participates in β ladder)trans-131.4126.6179.8-168.3-93.6000108.8L90 L94 Q95 V97 P126L90-F92 PolarHBondContact O-N 2.79Å; F92-L94 PolarHBondContact O-N 2.93Å; F92-L94 VanDerWaalsContact O-N 3.16Å; F92-Q95 PolarHBondContact N-O 3.4Å; F92-Q95 PolarHBondContact O-N 2.92Å; F92-Q95 VanDerWaalsContact O-O 3.06Å; F92-V97 HydrophobicContact CB-CG1 4.34Å; F92-V97 HydrophobicContact CB-CG2 3.54Å; F92-V97 HydrophobicContact CG-CG2 4.44Å; F92-P126 HydrophobicContact CB-CG 4.27Å; F92-P126 HydrophobicContact CD2-CG 3.62Å; F92-P126 HydrophobicContact CE2-CG 4.1Å; F92-P126 HydrophobicContact CG-CG 3.91Å
93D89.6Confident92.5Very high132 Ų13266.5 Ų66.571%0.70636%0.363SS*.THydrogen-bonded Turntrans45.545.2-174.6-70-17000113.9Q95D93-Q95 PolarHBondContact O-N 2.78Å
94L91Very high92.6Very high68 Ų6866.6 Ų66.636%0.35636%0.358SS..THydrogen-bonded Turntrans66.216.5178.6-49.8175000114.5I77 E78 C79 L80 F92I77-L94 HydrophobicContact CB-CB 4.48Å; I77-L94 HydrophobicContact CD1-CD1 4.06Å; I77-L94 HydrophobicContact CG1-CB 4.39Å; I77-L94 HydrophobicContact CG1-CD1 3.98Å; I77-L94 HydrophobicContact CG2-CB 4.08Å; I77-L94 HydrophobicContact CG2-CD2 4.31Å; E78-L94 PolarHBondContact N-O 2.97Å; C79-L94 PolarHBondContact N-O 3.05Å; C79-L94 WeakPolarHBondContact O-CA 3.43Å; L80-L94 HydrophobicContact CD2-CD2 4.04Å; F92-L94 PolarHBondContact O-N 2.93Å; F92-L94 VanDerWaalsContact O-N 3.16Å
95Q92.3Very high92.7Very high89 Ų8971.6 Ų71.642%0.41638%0.382SS..EExtended strand (participates in β ladder)trans-124.7147.7177.4-65.3-171.4-13.400111.8C79 F92 D93 V97C79-Q95 PolarHBondContact SG-O 2.93Å; F92-Q95 PolarHBondContact N-O 3.4Å; F92-Q95 PolarHBondContact O-N 2.92Å; F92-Q95 VanDerWaalsContact O-O 3.06Å; D93-Q95 PolarHBondContact O-N 2.78Å; Q95-V97 HydrophobicContact CB-CG1 4.45Å; Q95-V97 PolarHBondContact O-N 2.78Å
96C94.5Very high92.7Very high16 Ų1671.9 Ų71.911%0.10838%0.384CS..EExtended strand (participates in β ladder)trans-84.696.3174.7-71.50000110.4E78 C85 R89 L90E78-C96 PolarHBondContact OE2-N 2.78Å; C85-C96 WeakPolarHBondContact CA-SG 3.23Å; C85-C96 HydrophobicContact CB-CB 3.76Å; C85-C96 WeakPolarHBondContact CB-SG 3.28Å; C85-C96 WeakPolarHBondContact SG-CA 3.37Å; C85-C96 WeakPolarHBondContact SG-CB 3.01Å; C85-C96 CovalentContact SG-SG 2.04Å; C85-C96 PolarHBondContact SG-SG 3Å; R89-C96 PolarHBondContact NE-O 2.96Å; R89-C96 PolarHBondContact NH2-O 3.22Å; L90-C96 WeakPolarHBondContact O-CA 3.28Å
97V94.3Very high92.6Very high39 Ų3970.6 Ų70.624%0.23637%0.373CS..EExtended strand (participates in β ladder)trans-94148.6179.8-58.80000111R89 L90 F92 Q95 P126R89-V97 CarbonylContact C-O 3.55Å; R89-V97 WeakPolarHBondContact CA-O 3.48Å; R89-V97 WeakPolarHBondContact CB-O 3.47Å; L90-V97 PolarHBondContact N-O 3.27Å; L90-V97 PolarHBondContact O-N 3.1Å; F92-V97 HydrophobicContact CB-CG1 4.34Å; F92-V97 HydrophobicContact CB-CG2 3.54Å; F92-V97 HydrophobicContact CG-CG2 4.44Å; Q95-V97 HydrophobicContact CB-CG1 4.45Å; Q95-V97 PolarHBondContact O-N 2.78Å; V97-P126 HydrophobicContact CG2-CB 3.95Å; V97-P126 HydrophobicContact CG2-CG 4.3Å
98A94.8Very high92.4Very high53 Ų5374.8 Ų74.844%0.43838%0.377SS..EExtended strand (participates in β ladder)trans-57.8144.4170.200000109.7Y127A98-Y127 WeakPolarHBondContact O-CB 3.17Å; A98-Y127 PolarHBondContact O-N 2.04Å
99A94.6Very high91.8Very high7 Ų773.4 Ų73.46%0.05837%0.367CS..EExtended strand (participates in β ladder)trans-135155.2-178.600000111Q88 L90 W124 V125Q88-A99 PolarHBondContact O-N 3.39Å; L90-A99 HydrophobicContact CB-CB 4.19Å; L90-A99 HydrophobicContact CD1-CB 3.81Å; L90-A99 HydrophobicContact CG-CB 3.55Å; A99-W124 HydrophobicContact CB-CB 4.42Å; A99-W124 HydrophobicContact CB-CE3 3.91Å; A99-W124 WeakPolarHBondContact O-CZ3 3.04Å; A99-V125 CarbonylContact C-O 3.57Å; A99-V125 WeakPolarHBondContact CA-O 3.02Å; A99-V125 VanDerWaalsContact CB-O 3.29Å; A99-V125 WeakPolarHBondContact CB-O 3.37Å
100V94.2Very high91.4Very high62 Ų6274.2 Ų74.238%0.37639%0.385SS..EExtended strand (participates in β ladder)trans-122.5143176.1-690000110.8W124 V125 Y127V100-W124 VanDerWaalsContact O-CA 3.27Å; V100-W124 WeakPolarHBondContact O-CA 3.4Å; V100-V125 HydrophobicContact CG2-CG2 3.8Å; V100-V125 PolarHBondContact N-O 3.17Å; V100-V125 PolarHBondContact O-N 2.03Å; V100-Y127 HydrophobicContact CG1-CD2 3.65Å; V100-Y127 HydrophobicContact CG1-CG 4.34Å
101S93Very high91.1Very high39 Ų3980.4 Ų80.427%0.27341%0.408SS..EExtended strand (participates in β ladder)trans-70.5142.6173.3170.20000109.7D103 C123 W124S101-D103 VanDerWaalsContact C-N 3.32Å; S101-D103 PolarHBondContact OG-N 3.36Å; S101-D103 PolarHBondContact OG-OD1 3.07Å; S101-C123 CarbonylContact C-O 3.57Å; S101-C123 WeakPolarHBondContact CA-O 3.38Å; S101-W124 VanDerWaalsContact N-CE3 3.28Å
102T91.4Very high91.1Very high49 Ų4980.8 Ų80.830%0.30141%0.411SS..EExtended strand (participates in β ladder)trans-96.915.2171.275.30000112.2R104 Q116 C123 V125T102-R104 PolarHBondContact O-N 2.78Å; T102-Q116 PolarHBondContact OG1-OE1 2.91Å; T102-C123 PolarHBondContact N-O 3.35Å; T102-C123 PolarHBondContact OG1-O 2.95Å; T102-V125 HydrophobicContact CG2-CG1 4.17Å; T102-V125 HydrophobicContact CG2-CG2 4.2Å
103D86.9Confident91.1Very high148 Ų14878.5 Ų78.579%0.79140%0.404SS*.EExtended strand (participates in β ladder)trans55.819.4-178.7-58.6-32.4000115.2S101S101-D103 VanDerWaalsContact C-N 3.32Å; S101-D103 PolarHBondContact OG-N 3.36Å; S101-D103 PolarHBondContact OG-OD1 3.07Å
104R92.7Very high91Very high126 Ų12678.6 Ų78.648%0.47541%0.412SS..EExtended strand (participates in β ladder)trans-101.5119.5175.2-178173.7177.4161.4-1.2109.1T102 R111 A122 C123T102-R104 PolarHBondContact O-N 2.78Å; R104-R111 PolarHBondContact NE-O 3.25Å; R104-R111 VanDerWaalsContact NE-O 3.11Å; R104-R111 PolarHBondContact NH2-O 3.43Å; R104-A122 CarbonylContact O-C 3.42Å; R104-A122 VanDerWaalsContact O-CA 3.24Å; R104-A122 WeakPolarHBondContact O-CA 3.48Å; R104-C123 HydrophobicContact CB-CB 4.24Å; R104-C123 PolarHBondContact O-N 3.02Å
105E94.4Very high90.8Very high170 Ų17078.9 Ų78.979%0.79443%0.432SS*.EExtended strand (participates in β ladder)trans-67.9144.6176.5-65.6-177.3177.700112.1G121E105-G121 VanDerWaalsContact CA-O 3.29Å; E105-G121 WeakPolarHBondContact CA-O 3.23Å
106C94.6Very high90.8Very high8 Ų876.8 Ų76.85%0.05442%0.422CS..  trans-153151175.267.50000110.8R111 C118 G121 A122C106-R111 HydrophobicContact CB-CB 3.99Å; C106-C118 HydrophobicContact CB-CB 3.92Å; C106-C118 WeakPolarHBondContact CB-SG 3.38Å; C106-C118 PolarHBondContact O-SG 2.98Å; C106-C118 VanDerWaalsContact O-SG 3.37Å; C106-C118 WeakPolarHBondContact SG-CA 3.25Å; C106-C118 WeakPolarHBondContact SG-CB 3.44Å; C106-C118 CovalentContact SG-SG 2.02Å; C106-C118 PolarHBondContact SG-SG 3.18Å; C106-G121 PolarHBondContact N-O 3.13Å; C106-G121 CarbonylContact O-C 3.51Å; C106-G121 WeakPolarHBondContact O-CA 3.33Å; C106-A122 PolarHBondContact SG-O 2.88Å
107D90.9Very high90.7Very high88 Ų8880.5 Ų80.547%0.47143%0.434SS..SBendtrans-111.6-12.6168.664.6-13.5000112.2R111D107-R111 WeakPolarHBondContact OD1-CD 3.4Å; D107-R111 IonicContact OD1-CZ 3.03Å; D107-R111 IonicContact OD1-NE 3.73Å; D107-R111 PolarHBondContact OD1-NE 2.02Å; D107-R111 IonicContact OD1-NH1 3.93Å; D107-R111 PolarHBondContact OD1-NH1 3.22Å; D107-R111 IonicContact OD1-NH2 3.09Å; D107-R111 PolarHBondContact OD1-NH2 3.2Å; D107-R111 VanDerWaalsContact OD1-NH2 3.09Å; D107-R111 IonicContact OD2-CZ 2.78Å; D107-R111 IonicContact OD2-NH1 3.06Å; D107-R111 PolarHBondContact OD2-NH1 3.32Å; D107-R111 IonicContact OD2-NH2 2.65Å; D107-R111 PolarHBondContact OD2-NH2 3.17Å
108K86.9Confident90.6Very high134 Ų13479.4 Ų79.458%0.58343%0.428SS*.SBendtrans-149.1149.7-174.8-63.8-177.4-174-176.60110T110 R111 C118K108-T110 PolarHBondContact O-N 3.3Å; K108-T110 VanDerWaalsContact O-N 3.15Å; K108-R111 PolarHBondContact O-N 3.2Å; K108-C118 PolarHBondContact N-SG 3.35Å
109Y79Confident90.4Very high107 Ų10778.1 Ų78.142%0.4241%0.412SS..G310 helixtrans-51.9-37.3178.2-69.5-78.4000113.9D82 R111 C112 R117 C118D82-Y109 PolarHBondContact OD2-OH 2.96Å; Y109-R111 PolarHBondContact O-N 2.85Å; Y109-R111 VanDerWaalsContact O-N 3.11Å; Y109-C112 PolarHBondContact O-N 2.78Å; Y109-C112 VanDerWaalsContact O-N 3.11Å; Y109-R117 HydrophobicContact CD1-CB 4.28Å; Y109-R117 HydrophobicContact CE1-CB 3.92Å; Y109-R117 HydrophobicContact CE1-CG 4.35Å; Y109-C118 HydrophobicContact CD1-CB 4.27Å; Y109-C118 HydrophobicContact CG-CB 4.46Å
110T84Confident90.2Very high130 Ų13084.3 Ų84.380%0.79843%0.434SS*.G310 helixtrans-67.4-11.8-177.8600000114.3K108K108-T110 PolarHBondContact O-N 3.3Å; K108-T110 VanDerWaalsContact O-N 3.15Å
111R89.6Confident90Very high129 Ų12983.6 Ų83.649%0.48744%0.44SS..G310 helixtrans-85.8-11.7175.7-70-160.6-173.315114.8113.3R104 C106 D107 K108 Y109R104-R111 PolarHBondContact NE-O 3.25Å; R104-R111 VanDerWaalsContact NE-O 3.11Å; R104-R111 PolarHBondContact NH2-O 3.43Å; C106-R111 HydrophobicContact CB-CB 3.99Å; D107-R111 WeakPolarHBondContact OD1-CD 3.4Å; D107-R111 IonicContact OD1-CZ 3.03Å; D107-R111 IonicContact OD1-NE 3.73Å; D107-R111 PolarHBondContact OD1-NE 2.02Å; D107-R111 IonicContact OD1-NH1 3.93Å; D107-R111 PolarHBondContact OD1-NH1 3.22Å; D107-R111 IonicContact OD1-NH2 3.09Å; D107-R111 PolarHBondContact OD1-NH2 3.2Å; D107-R111 VanDerWaalsContact OD1-NH2 3.09Å; D107-R111 IonicContact OD2-CZ 2.78Å; D107-R111 IonicContact OD2-NH1 3.06Å; D107-R111 PolarHBondContact OD2-NH1 3.32Å; D107-R111 IonicContact OD2-NH2 2.65Å; D107-R111 PolarHBondContact OD2-NH2 3.17Å; K108-R111 PolarHBondContact O-N 3.2Å; Y109-R111 PolarHBondContact O-N 2.85Å; Y109-R111 VanDerWaalsContact O-N 3.11Å
112C92.5Very high90.1Very high15 Ų1582.4 Ų82.410%0.10143%0.433CS..SBendtrans-91.7147.4178.3-59.90000111.1Y109 Q116 C123Y109-C112 PolarHBondContact O-N 2.78Å; Y109-C112 VanDerWaalsContact O-N 3.11Å; C112-Q116 HydrophobicContact CB-CB 3.85Å; C112-C123 WeakPolarHBondContact CA-SG 3.49Å; C112-C123 HydrophobicContact CB-CB 3.8Å; C112-C123 WeakPolarHBondContact CB-SG 3.37Å; C112-C123 VanDerWaalsContact SG-CA 3.52Å; C112-C123 WeakPolarHBondContact SG-CB 3.44Å; C112-C123 CovalentContact SG-SG 2.04Å; C112-C123 PolarHBondContact SG-SG 3.1Å
113P91.8Very high90.2Very high39 Ų3980.1 Ų80.125%0.25342%0.418SS..PPolyproline II helixtrans-50.9155.4168.2-25.632.3000112.6G115 Q116P113-G115 PolarHBondContact O-N 3.17Å; P113-Q116 HydrophobicContact CB-CG 4.14Å; P113-Q116 WeakPolarHBondContact O-CB 3.46Å; P113-Q116 PolarHBondContact O-N 3.45Å; P113-Q116 VanDerWaalsContact O-N 3.1Å
114P88.7Confident90.6Very high134 Ų13474 Ų7487%0.8738%0.384SS*.THydrogen-bonded Turntrans-51.4138174.6-25.534.2000112.1Q116P114-Q116 VanDerWaalsContact C-N 3.27Å; P114-Q116 PolarHBondContact O-N 2.84Å
115G86.5Confident90.7Very high75 Ų7570 Ų7077%0.77337%0.374SS*.THydrogen-bonded Turntrans83.2-8.1-178.400000115.2P113P113-G115 PolarHBondContact O-N 3.17Å
116Q91.6Very high90.6Very high45 Ų4563.5 Ų63.521%0.2135%0.346CS..  trans-99.5156.2176.9-50.3-166.7-0.500111.4T102 C112 P113 P114 C123 W124 V125T102-Q116 PolarHBondContact OG1-OE1 2.91Å; C112-Q116 HydrophobicContact CB-CB 3.85Å; P113-Q116 HydrophobicContact CB-CG 4.14Å; P113-Q116 WeakPolarHBondContact O-CB 3.46Å; P113-Q116 PolarHBondContact O-N 3.45Å; P113-Q116 VanDerWaalsContact O-N 3.1Å; P114-Q116 VanDerWaalsContact C-N 3.27Å; P114-Q116 PolarHBondContact O-N 2.84Å; Q116-C123 HydrophobicContact CB-CB 4.5Å; Q116-C123 VanDerWaalsContact OE1-CB 3.32Å; Q116-W124 WeakPolarHBondContact CA-O 3.39Å; Q116-V125 HydrophobicContact CB-CG1 4.16Å; Q116-V125 HydrophobicContact CG-CG1 3.55Å
117R91.4Very high90.5Very high93 Ų9368.9 Ų68.935%0.35137%0.366SS..EExtended strand (participates in β ladder)trans-119.6140.4179.9-62.6-161.8-156.1-102.212.3111D82 L90 C91 Y109 C123 W124D82-R117 WeakPolarHBondContact OD1-CD 3.42Å; D82-R117 IonicContact OD1-NE 3.16Å; D82-R117 WeakPolarHBondContact OD2-CD 3.29Å; D82-R117 IonicContact OD2-NE 3.19Å; L90-R117 HydrophobicContact CD1-CB 4.15Å; L90-R117 HydrophobicContact CD1-CG 4.42Å; L90-R117 HydrophobicContact CD2-CB 4.07Å; C91-R117 PolarHBondContact O-NE 3.18Å; C91-R117 PolarHBondContact O-NH2 3.3Å; Y109-R117 HydrophobicContact CD1-CB 4.28Å; Y109-R117 HydrophobicContact CE1-CB 3.92Å; Y109-R117 HydrophobicContact CE1-CG 4.35Å; R117-C123 CarbonylContact O-C 3.33Å; R117-C123 WeakPolarHBondContact O-CA 3.01Å; R117-W124 PolarHBondContact N-O 3.02Å; R117-W124 PolarHBondContact O-N 3.36Å
118C92.7Very high90.1Very high16 Ų1672.5 Ų72.511%0.10838%0.38CS..EExtended strand (participates in β ladder)trans-87118.7177.6-174.70000110.1C106 K108 Y109C106-C118 HydrophobicContact CB-CB 3.92Å; C106-C118 WeakPolarHBondContact CB-SG 3.38Å; C106-C118 PolarHBondContact O-SG 2.98Å; C106-C118 VanDerWaalsContact O-SG 3.37Å; C106-C118 WeakPolarHBondContact SG-CA 3.25Å; C106-C118 WeakPolarHBondContact SG-CB 3.44Å; C106-C118 CovalentContact SG-SG 2.02Å; C106-C118 PolarHBondContact SG-SG 3.18Å; K108-C118 PolarHBondContact N-SG 3.35Å; Y109-C118 HydrophobicContact CD1-CB 4.27Å; Y109-C118 HydrophobicContact CG-CB 4.46Å
119R91.2Very high89.6Confident27 Ų2770.3 Ų70.310%0.10238%0.38CS..EExtended strand (participates in β ladder)trans-151.2146.5179.9-161.4-178.5179.4143.915.7111D82 C85 R89 L90 G121 A122 W124D82-R119 PolarHBondContact O-NH1 2.96Å; D82-R119 PolarHBondContact O-NH2 2.93Å; C85-R119 PolarHBondContact O-NH2 3.28Å; R89-R119 PolarHBondContact O-NH1 3.2Å; L90-R119 HydrophobicContact CD2-CB 4.32Å; R119-G121 PolarHBondContact O-N 2.73Å; R119-A122 PolarHBondContact N-O 3.49Å; R119-A122 CarbonylContact O-C 3.58Å; R119-A122 PolarHBondContact O-N 2.83Å; R119-W124 HydrophobicContact CB-CG 4.49Å; R119-W124 PolarHBondContact O-NE1 2.87Å
120Y90Very high89.4Confident136 Ų13670.4 Ų70.453%0.53339%0.393SS..THydrogen-bonded Turntrans52.631.7179.2-54.1-58.7000114.1G87 A122 W124G87-Y120 WeakPolarHBondContact O-CE2 3.49Å; G87-Y120 PolarHBondContact O-OH 2.87Å; Y120-A122 VanDerWaalsContact C-N 3.27Å; Y120-A122 PolarHBondContact O-N 3.22Å; Y120-W124 HydrophobicContact CD2-CZ2 4.08Å
121G90.7Very high88.8Confident47 Ų4770.6 Ų70.649%0.48540%0.399SS..THydrogen-bonded Turntrans77.13.4-178.700000115.4E105 C106 R119E105-G121 VanDerWaalsContact CA-O 3.29Å; E105-G121 WeakPolarHBondContact CA-O 3.23Å; C106-G121 PolarHBondContact N-O 3.13Å; C106-G121 CarbonylContact O-C 3.51Å; C106-G121 WeakPolarHBondContact O-CA 3.33Å; R119-G121 PolarHBondContact O-N 2.73Å
122A94Very high86.7Confident15 Ų1571.5 Ų71.512%0.12445%0.448CS..EExtended strand (participates in β ladder)trans-133.6161.7-179.600000112R104 C106 R119 Y120 W124R104-A122 CarbonylContact O-C 3.42Å; R104-A122 VanDerWaalsContact O-CA 3.24Å; R104-A122 WeakPolarHBondContact O-CA 3.48Å; C106-A122 PolarHBondContact SG-O 2.88Å; R119-A122 PolarHBondContact N-O 3.49Å; R119-A122 CarbonylContact O-C 3.58Å; R119-A122 PolarHBondContact O-N 2.83Å; Y120-A122 VanDerWaalsContact C-N 3.27Å; Y120-A122 PolarHBondContact O-N 3.22Å; A122-W124 PolarHBondContact O-NE1 3.49Å
123C95Very high86.4Confident0 Ų074.4 Ų74.40%047%0.465CS..EExtended strand (participates in β ladder)trans-81.4135.1171.6-61.20000109.8S101 T102 R104 C112 Q116 R117S101-C123 CarbonylContact C-O 3.57Å; S101-C123 WeakPolarHBondContact CA-O 3.38Å; T102-C123 PolarHBondContact N-O 3.35Å; T102-C123 PolarHBondContact OG1-O 2.95Å; R104-C123 HydrophobicContact CB-CB 4.24Å; R104-C123 PolarHBondContact O-N 3.02Å; C112-C123 WeakPolarHBondContact CA-SG 3.49Å; C112-C123 HydrophobicContact CB-CB 3.8Å; C112-C123 WeakPolarHBondContact CB-SG 3.37Å; C112-C123 VanDerWaalsContact SG-CA 3.52Å; C112-C123 WeakPolarHBondContact SG-CB 3.44Å; C112-C123 CovalentContact SG-SG 2.04Å; C112-C123 PolarHBondContact SG-SG 3.1Å; Q116-C123 HydrophobicContact CB-CB 4.5Å; Q116-C123 VanDerWaalsContact OE1-CB 3.32Å; R117-C123 CarbonylContact O-C 3.33Å; R117-C123 WeakPolarHBondContact O-CA 3.01Å
124W95.1Very high86.2Confident21 Ų2176.2 Ų76.28%0.0848%0.477CS..EExtended strand (participates in β ladder)trans-126.5151.8-177.6-64.375.8000111.1Q88 L90 A99 V100 S101 Q116 R117 R119 Y120 A122Q88-W124 HydrophobicContact CB-CH2 4.13Å; Q88-W124 HydrophobicContact CB-CZ3 3.89Å; Q88-W124 HydrophobicContact CG-CH2 3.81Å; Q88-W124 HydrophobicContact CG-CZ3 4.1Å; L90-W124 HydrophobicContact CD1-CB 3.75Å; L90-W124 HydrophobicContact CD2-CB 4.21Å; L90-W124 HydrophobicContact CG-CB 4.22Å; A99-W124 HydrophobicContact CB-CB 4.42Å; A99-W124 HydrophobicContact CB-CE3 3.91Å; A99-W124 WeakPolarHBondContact O-CZ3 3.04Å; V100-W124 VanDerWaalsContact O-CA 3.27Å; V100-W124 WeakPolarHBondContact O-CA 3.4Å; S101-W124 VanDerWaalsContact N-CE3 3.28Å; Q116-W124 WeakPolarHBondContact CA-O 3.39Å; R117-W124 PolarHBondContact N-O 3.02Å; R117-W124 PolarHBondContact O-N 3.36Å; R119-W124 HydrophobicContact CB-CG 4.49Å; R119-W124 PolarHBondContact O-NE1 2.87Å; Y120-W124 HydrophobicContact CD2-CZ2 4.08Å; A122-W124 PolarHBondContact O-NE1 3.49Å
125V93.6Very high86Confident41 Ų4173 Ų7325%0.24846%0.455CS..EExtended strand (participates in β ladder)trans-128.2152.1169.5-67.40000110A99 V100 T102 Q116 Y127A99-V125 CarbonylContact C-O 3.57Å; A99-V125 WeakPolarHBondContact CA-O 3.02Å; A99-V125 VanDerWaalsContact CB-O 3.29Å; A99-V125 WeakPolarHBondContact CB-O 3.37Å; V100-V125 HydrophobicContact CG2-CG2 3.8Å; V100-V125 PolarHBondContact N-O 3.17Å; V100-V125 PolarHBondContact O-N 2.03Å; T102-V125 HydrophobicContact CG2-CG1 4.17Å; T102-V125 HydrophobicContact CG2-CG2 4.2Å; Q116-V125 HydrophobicContact CB-CG1 4.16Å; Q116-V125 HydrophobicContact CG-CG1 3.55Å; V125-Y127 PolarHBondContact O-N 3.26Å
126P93.4Very high86Confident33 Ų3372.9 Ų72.921%0.21444%0.436CS..EExtended strand (participates in β ladder)trans-49.3135.2165.8-26.536.1000110.6F92 V97 E128F92-P126 HydrophobicContact CB-CG 4.27Å; F92-P126 HydrophobicContact CD2-CG 3.62Å; F92-P126 HydrophobicContact CE2-CG 4.1Å; F92-P126 HydrophobicContact CG-CG 3.91Å; V97-P126 HydrophobicContact CG2-CB 3.95Å; V97-P126 HydrophobicContact CG2-CG 4.3Å; P126-E128 PolarHBondContact O-N 2.9Å
127Y91.7Very high85.6Confident121 Ų12174.6 Ų74.648%0.47545%0.45SS..  trans-71.6115.6174.9174.6-105.7000109.2A98 V100 V125 P129A98-Y127 WeakPolarHBondContact O-CB 3.17Å; A98-Y127 PolarHBondContact O-N 2.04Å; V100-Y127 HydrophobicContact CG1-CD2 3.65Å; V100-Y127 HydrophobicContact CG1-CG 4.34Å; V125-Y127 PolarHBondContact O-N 3.26Å; Y127-P129 HydrophobicContact CE1-CB 3.95Å
128E83.7Confident85.3Confident165 Ų16573.4 Ų73.477%0.77146%0.457SS*.  trans-95.8114.7168.1-67.4-176.5-177.900108.2P126P126-E128 PolarHBondContact O-N 2.9Å
129P75.7Confident84.7Confident88 Ų8877.5 Ų77.557%0.57148%0.482SS*.  trans-60.8141.7171.324.8-30.6000108.9Y127 C131Y127-P129 HydrophobicContact CE1-CB 3.95Å; P129-C131 PolarHBondContact O-N 2.88Å; P129-C131 VanDerWaalsContact O-N 3.16Å
130P73.9Confident84.2Confident108 Ų10881.4 Ų81.470%0.70151%0.511SS*.  trans-54.2127.4175.821.1-30.4000108.9G132P130-G132 PolarHBondContact O-N 3.08Å
131C72.3Confident83.7Confident135 Ų13576.8 Ų76.891%0.91251%0.509SS*.  trans-56.7112.1173.8-560000107.7P129P129-C131 PolarHBondContact O-N 2.88Å; P129-C131 VanDerWaalsContact O-N 3.16Å
132G45.7Very low83.1Confident148 Ų14879.5 Ų79.5100%1.52651%0.511SS*.  trans-72.30176.300000112.9P130P130-G132 PolarHBondContact O-N 3.08Å

Retrieved 132 of 132 residues in 101.8 ms (Link to these results)