A0A077Z4B8_TRITR Loading...

Ribosomal S10 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4B8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 149 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M54.5Low63.2Low241 Ų241186.8 Ų186.8100%1.18786%0.863SS**  087.20-169.9179.5-84.200107.6R3M1-R3 PolarHBondContact O-N 3.4Å
2Q61.4Low64Low186 Ų186179.5 Ų179.587%0.86984%0.841SS**  trans-79116.3-179.6-76.5-179.2-16.200108.7W4Q2-W4 PolarHBondContact O-N 3.05Å
3R58.7Low64.9Low227 Ų227170.1 Ų170.186%0.85781%0.805SS**  trans-78.9106.4-178.4-157.6165.6-174.7167.7-0.9106.9M1 F5M1-R3 PolarHBondContact O-N 3.4Å; R3-F5 PolarHBondContact O-N 3.05Å
4W62.2Low66.5Low228 Ų228164.7 Ų164.786%0.86479%0.792SS**  trans-61.2110175.9-67.777.4000108.3Q2 F6Q2-W4 PolarHBondContact O-N 3.05Å; W4-F6 PolarHBondContact O-N 3.33Å
5F62.7Low68.1Low201 Ų201160.3 Ų160.388%0.88277%0.773SS**  trans-70.497.6167.2-78.3-85.7000107.2R3 K7R3-F5 PolarHBondContact O-N 3.05Å; F5-K7 PolarHBondContact O-N 3.25Å
6F64.6Low69.5Low191 Ų191155.7 Ų155.784%0.83875%0.746SS**  trans-62.396.9159.2-87.9-94.8000106.4W4 E8W4-F6 PolarHBondContact O-N 3.33Å; F6-E8 PolarHBondContact O-N 3.05Å
7K68.1Low70.8Confident198 Ų198151.5 Ų151.586%0.86174%0.737SS**  trans-56.2113.4161.4-172.4177.1-178.6-178.60105F5 A9F5-K7 PolarHBondContact O-N 3.25Å; K7-A9 PolarHBondContact O-N 3.02Å
8E65.6Low72.1Confident183 Ų183148.6 Ų148.686%0.85572%0.717SS**PPolyproline II helixtrans-50.5120-177.8-65.8-172.8135.900108.2F6F6-E8 PolarHBondContact O-N 3.05Å
9A64Low73.3Confident82 Ų82141.1 Ų141.168%0.67868%0.681SS**PPolyproline II helixtrans-58.1135.5175.600000107.6K7 K11K7-A9 PolarHBondContact O-N 3.02Å; A9-K11 PolarHBondContact O-N 2.9Å
10P63.5Low74.4Confident101 Ų101134 Ų13466%0.65665%0.647SS**PPolyproline II helixtrans-53.7132.7175.221.7-31000108.9T12P10-T12 PolarHBondContact O-N 3.06Å
11K69.5Low75.4Confident217 Ų217127.7 Ų127.794%0.94362%0.616SS**SBendtrans-59.2-22.2-176.7-70.8-178.8179.4175.40112.8A9A9-K11 PolarHBondContact O-N 2.9Å
12T73Confident77.4Confident99 Ų99117 Ų11761%0.60756%0.563SS**SBendtrans-101.7135.9178540000110.3P10P10-T12 PolarHBondContact O-N 3.06Å
13P76.6Confident79.1Confident57 Ų57108.1 Ų108.137%0.3752%0.522SS..PPolyproline II helixtrans-57.5152.3172.726.2-33.4000109.8L15P13-L15 WeakPolarHBondContact O-CD1 3.35Å
14P87.2Confident80.9Confident95 Ų95101.2 Ų101.262%0.61750%0.496SS*.PPolyproline II helixtrans-63.6142.5174.124-28.8000110.4A92P14-A92 HydrophobicContact CB-CB 4.45Å; P14-A92 HydrophobicContact CG-CB 3.88Å; P14-A92 VanDerWaalsContact O-CB 3.25Å; P14-A92 WeakPolarHBondContact O-CB 3.12Å; P14-A92 PolarHBondContact O-N 2.93Å
15L90.3Very high82.5Confident99 Ų9990.5 Ų90.552%0.51846%0.456SS..EExtended strand (participates in β ladder)trans-113.1137.7176.1-81.273.5000109.6P13 D89 V90P13-L15 WeakPolarHBondContact O-CD1 3.35Å; L15-D89 HydrophobicContact CD2-CB 4.22Å; L15-V90 CarbonylContact C-O 3.55Å; L15-V90 WeakPolarHBondContact CA-O 3.38Å
16Y91.1Very high84.1Confident86 Ų8687.1 Ų87.134%0.33744%0.439SS..EExtended strand (participates in β ladder)trans-82.8125.6165.4-66.3-76.6000109.2D89 V90 A92 V95 E116Y16-D89 CarbonylContact O-C 3.59Å; Y16-D89 WeakPolarHBondContact O-CA 3.3Å; Y16-D89 PolarHBondContact O-N 3.4Å; Y16-V90 PolarHBondContact N-O 2.91Å; Y16-V90 PolarHBondContact O-N 2.85Å; Y16-A92 HydrophobicContact CD2-CB 4.15Å; Y16-A92 HydrophobicContact CE2-CB 3.64Å; Y16-V95 HydrophobicContact CD2-CG2 3.98Å; Y16-V95 HydrophobicContact CE2-CG2 3.98Å; Y16-E116 HydrophobicContact CD1-CG 4.24Å; Y16-E116 WeakPolarHBondContact CD1-OE1 3.25Å; Y16-E116 WeakPolarHBondContact CE1-OE1 3.29Å
17S91.4Very high85.6Confident85 Ų8582.5 Ų82.559%0.59442%0.422SS*.EExtended strand (participates in β ladder)trans-66.5-50.6-178-179.50000112A88 D89S17-A88 VanDerWaalsContact O-CA 3.29Å; S17-A88 WeakPolarHBondContact O-CA 3.37Å; S17-D89 PolarHBondContact O-N 3.13Å; S17-D89 VanDerWaalsContact O-N 3.13Å
18R93.8Very high86.8Confident98 Ų9877.2 Ų77.237%0.3740%0.4SS..EExtended strand (participates in β ladder)trans-139.2118.6177.4-67.9-64.3-177.3121.5-0.5110.3L87 H117R18-L87 WeakPolarHBondContact CA-O 3.37Å; R18-H117 HydrophobicContact CB-CB 3.62Å; R18-H117 PolarHBondContact O-N 2.92Å
19L94.7Very high88.3Confident6 Ų671.4 Ų71.43%0.03138%0.383CS..EExtended strand (participates in β ladder)trans-122.9128-177.7-168.869.5000109.4L87 V90 V95 L114L19-L87 PolarHBondContact N-O 3.28Å; L19-L87 PolarHBondContact O-N 3.29Å; L19-V90 HydrophobicContact CB-CG2 4.23Å; L19-V90 HydrophobicContact CD2-CB 4.4Å; L19-V90 HydrophobicContact CD2-CG1 4.19Å; L19-V90 HydrophobicContact CD2-CG2 4.4Å; L19-V95 HydrophobicContact CD2-CG1 4.44Å; L19-V95 HydrophobicContact CD2-CG2 4.18Å; L19-L114 HydrophobicContact CD1-CD1 4.16Å; L19-L114 HydrophobicContact CD1-CG 4.07Å; L19-L114 HydrophobicContact CD2-CD1 3.76Å; L19-L114 HydrophobicContact CD2-CD2 4.17Å; L19-L114 HydrophobicContact CD2-CG 4.18Å; L19-L114 HydrophobicContact CG-CD1 3.7Å; L19-L114 HydrophobicContact CG-CG 4.15Å
20N95Very high89.8Confident0 Ų070.1 Ų70.10%037%0.367CS..EExtended strand (participates in β ladder)trans-105.1124.1-179.9-765.5000110Q86 H115 H117N20-Q86 WeakPolarHBondContact OD1-CB 3.38Å; N20-Q86 VanDerWaalsContact OD1-CG 3.26Å; N20-Q86 WeakPolarHBondContact OD1-CG 3.37Å; N20-Q86 PolarHBondContact OD1-NE2 2.91Å; N20-H115 PolarHBondContact N-O 2.94Å; N20-H115 PolarHBondContact O-N 3.44Å; N20-H115 VanDerWaalsContact O-N 3.17Å; N20-H117 PolarHBondContact ND2-ND1 3.21Å
21I96.5Very high91.4Very high2 Ų265.3 Ų65.31%0.0134%0.335CS..EExtended strand (participates in β ladder)trans-90.7105.1166-55.8168.3000106.7L23 V38 V42 N84 V85 L87 L98 I102 L112 L114I21-L23 HydrophobicContact CG2-CD2 4.43Å; I21-V38 HydrophobicContact CD1-CG1 4.08Å; I21-V38 HydrophobicContact CG2-CG1 4.22Å; I21-V42 HydrophobicContact CD1-CG2 3.92Å; I21-N84 CarbonylContact O-C 3.6Å; I21-N84 WeakPolarHBondContact O-CA 3.34Å; I21-V85 HydrophobicContact CB-CB 4.35Å; I21-V85 PolarHBondContact N-O 2.88Å; I21-V85 PolarHBondContact O-N 2.92Å; I21-L87 HydrophobicContact CD1-CD1 3.86Å; I21-L87 HydrophobicContact CD1-CG 4.28Å; I21-L87 HydrophobicContact CG1-CD1 4.49Å; I21-L98 HydrophobicContact CD1-CD2 4.18Å; I21-I102 HydrophobicContact CD1-CD1 3.88Å; I21-I102 HydrophobicContact CG2-CD1 4.35Å; I21-L112 HydrophobicContact CG2-CD1 3.54Å; I21-L114 HydrophobicContact CG1-CD1 3.74Å
22Q96Very high92.6Very high16 Ų1658.4 Ų58.48%0.07531%0.307CS..EExtended strand (participates in β ladder)trans-99.9122.8-178179.3-172.9-89.600109.9R24 E82 N84 S113 H115Q22-R24 HydrophobicContact CG-CG 4.38Å; Q22-R24 VanDerWaalsContact NE2-NE 3.11Å; Q22-E82 HydrophobicContact CG-CG 3.84Å; Q22-E82 PolarHBondContact OE1-OE1 3.32Å; Q22-N84 VanDerWaalsContact CA-OD1 3.27Å; Q22-N84 WeakPolarHBondContact CA-OD1 3.12Å; Q22-N84 WeakPolarHBondContact CB-OD1 3.08Å; Q22-N84 WeakPolarHBondContact CG-OD1 3.36Å; Q22-S113 VanDerWaalsContact CB-OG 3.3Å; Q22-S113 WeakPolarHBondContact CB-OG 3.45Å; Q22-S113 PolarHBondContact N-O 3.03Å; Q22-S113 PolarHBondContact NE2-OG 2.86Å; Q22-S113 PolarHBondContact O-N 2.94Å; Q22-S113 PolarHBondContact O-OG 3.24Å; Q22-H115 PolarHBondContact OE1-NE2 3.32Å
23L97.2Very high93.8Very high0 Ų061.1 Ų61.10%031%0.312CS..EExtended strand (participates in β ladder)trans-111.5130.7178.4-55.9172000108.7I21 L31 F34 Q35 V38 E82 R83 V110 Q111 L112I21-L23 HydrophobicContact CG2-CD2 4.43Å; L23-L31 HydrophobicContact CB-CD1 3.64Å; L23-F34 HydrophobicContact CD1-CD1 3.88Å; L23-F34 HydrophobicContact CD1-CE1 4.42Å; L23-F34 HydrophobicContact CD2-CD1 3.9Å; L23-F34 HydrophobicContact CD2-CE1 3.77Å; L23-F34 HydrophobicContact CG-CD1 4.48Å; L23-Q35 HydrophobicContact CD1-CB 4.01Å; L23-V38 HydrophobicContact CD1-CG2 4.23Å; L23-E82 CarbonylContact O-C 3.5Å; L23-E82 VanDerWaalsContact O-CA 3.31Å; L23-E82 WeakPolarHBondContact O-CA 3.17Å; L23-R83 WeakPolarHBondContact CA-O 3.21Å; L23-R83 HydrophobicContact CB-CB 4.38Å; L23-R83 WeakPolarHBondContact CB-O 3.32Å; L23-R83 PolarHBondContact N-O 3.15Å; L23-R83 PolarHBondContact O-N 3.39Å; L23-V110 HydrophobicContact CB-CG1 4.49Å; L23-Q111 CarbonylContact C-O 3.6Å; L23-Q111 WeakPolarHBondContact CA-O 3.33Å; L23-L112 HydrophobicContact CD2-CD1 3.54Å
24R96.4Very high94.8Very high81 Ų8158.9 Ų58.931%0.30630%0.297SS..EExtended strand (participates in β ladder)trans-127.9140.9-178.6-77.6174.1165.5176.912.9110.3Q22 Y81 E82 V110 Q111Q22-R24 HydrophobicContact CG-CG 4.38Å; Q22-R24 VanDerWaalsContact NE2-NE 3.11Å; R24-Y81 WeakPolarHBondContact CA-O 3.37Å; R24-E82 HydrophobicContact CG-CB 4.24Å; R24-E82 HydrophobicContact CG-CG 3.88Å; R24-E82 IonicContact CZ-OE2 3.35Å; R24-E82 VanDerWaalsContact CZ-OE2 3.29Å; R24-E82 IonicContact NE-OE2 3.4Å; R24-E82 PolarHBondContact NE-OE2 2.9Å; R24-E82 IonicContact NH2-OE2 2.9Å; R24-E82 PolarHBondContact NH2-OE2 3.03Å; R24-V110 CarbonylContact O-C 3.54Å; R24-V110 VanDerWaalsContact O-CA 3.28Å; R24-V110 WeakPolarHBondContact O-CA 3.43Å; R24-Q111 HydrophobicContact CB-CB 4.23Å; R24-Q111 PolarHBondContact N-O 3.27Å; R24-Q111 PolarHBondContact O-N 3.32Å
25G96.1Very high95.2Very high3 Ų355.4 Ų55.43%0.03127%0.272CS..EExtended strand (participates in β ladder)trans-168.4159.9-179.200000113.3Y81G25-Y81 PolarHBondContact N-O 3.19Å; G25-Y81 PolarHBondContact O-N 3.07Å
26Y95.2Very high95.6Very high131 Ų13151.9 Ų51.951%0.51426%0.26SS..SBendtrans-89.2-28.2176.1-64.3-77.5000112.7L78 H80 Y81Y26-L78 HydrophobicContact CD1-CB 4.33Å; Y26-L78 HydrophobicContact CE1-CB 4.06Å; Y26-L78 HydrophobicContact CE1-CD1 4.25Å; Y26-H80 HydrophobicContact CE1-CB 4.39Å; Y26-H80 AromaticContact CE1-CD2 3.97Å; Y26-Y81 WeakPolarHBondContact O-CD2 3.23Å; Y26-Y81 WeakPolarHBondContact O-CE2 3.46Å
27D95.6Very high95.8Very high93 Ų9352 Ų5250%0.49726%0.261SS..  trans-91116.1173.8-169.1-33.7000109.9A29 V30 L31D27-A29 PolarHBondContact OD1-N 3.12Å; D27-V30 HydrophobicContact CB-CB 4.22Å; D27-V30 HydrophobicContact CB-CG2 4.14Å; D27-V30 PolarHBondContact OD1-N 3.31Å; D27-L31 VanDerWaalsContact O-CB 3.31Å; D27-L31 WeakPolarHBondContact O-CB 3.38Å; D27-L31 PolarHBondContact O-N 3.35Å
28F95Very high96.1Very high87 Ų8748 Ų4838%0.38223%0.232SC..Hα-helixtrans-65.4-42.7-179.8174.1-114.1000112.9L31 E32 Y81F28-L31 PolarHBondContact O-N 2.86Å; F28-E32 HydrophobicContact CE2-CB 4.04Å; F28-E32 HydrophobicContact CE2-CG 4.42Å; F28-E32 WeakPolarHBondContact CE2-OE2 3.49Å; F28-E32 HydrophobicContact CZ-CB 4.1Å; F28-E32 HydrophobicContact CZ-CG 4.16Å; F28-E32 WeakPolarHBondContact O-CB 3.49Å; F28-E32 PolarHBondContact O-N 3.28Å; F28-Y81 HydrophobicContact CB-CD1 4.42Å; F28-Y81 HydrophobicContact CB-CD2 3.99Å; F28-Y81 HydrophobicContact CB-CE1 4.3Å; F28-Y81 HydrophobicContact CB-CE2 3.84Å; F28-Y81 HydrophobicContact CB-CG 4.28Å; F28-Y81 HydrophobicContact CD2-CD1 4.11Å; F28-Y81 HydrophobicContact CD2-CE1 4.46Å; F28-Y81 HydrophobicContact CD2-CG 4.31Å
29A95.8Very high96.3Very high62 Ų6245.4 Ų45.451%0.51222%0.224SC..Hα-helixtrans-68.3-43.7-172.900000111.1D27 L31 Q33D27-A29 PolarHBondContact OD1-N 3.12Å; A29-L31 VanDerWaalsContact C-N 3.34Å; A29-Q33 WeakPolarHBondContact O-CB 3.45Å; A29-Q33 PolarHBondContact O-N 2.98Å; A29-Q33 VanDerWaalsContact O-N 3.09Å
30V96.2Very high96.4Very high54 Ų5450.8 Ų50.833%0.32725%0.248SC..Hα-helixtrans-62.6-43.9175.7178.90000110.5D27 F34 P107 V110D27-V30 HydrophobicContact CB-CB 4.22Å; D27-V30 HydrophobicContact CB-CG2 4.14Å; D27-V30 PolarHBondContact OD1-N 3.31Å; V30-F34 VanDerWaalsContact O-CB 3.28Å; V30-F34 WeakPolarHBondContact O-CB 3.37Å; V30-F34 PolarHBondContact O-N 2.81Å; V30-P107 HydrophobicContact CG1-CB 3.74Å; V30-P107 HydrophobicContact CG1-CG 4.12Å; V30-V110 HydrophobicContact CG1-CG2 4.05Å
31L96.5Very high96.4Very high0 Ų051.6 Ų51.60%025%0.253CS..Hα-helixtrans-65.7-44.6-178-170.368.1000112.6L23 D27 F28 A29 F34 Q35 Y81 R83 V110L23-L31 HydrophobicContact CB-CD1 3.64Å; D27-L31 VanDerWaalsContact O-CB 3.31Å; D27-L31 WeakPolarHBondContact O-CB 3.38Å; D27-L31 PolarHBondContact O-N 3.35Å; F28-L31 PolarHBondContact O-N 2.86Å; A29-L31 VanDerWaalsContact C-N 3.34Å; L31-F34 PolarHBondContact O-N 2.92Å; L31-Q35 PolarHBondContact O-N 3.12Å; L31-Y81 WeakPolarHBondContact CD2-O 3.47Å; L31-R83 HydrophobicContact CD2-CB 4.38Å; L31-R83 HydrophobicContact CD2-CG 3.81Å; L31-R83 HydrophobicContact CG-CB 4.23Å; L31-R83 HydrophobicContact CG-CG 3.79Å; L31-V110 HydrophobicContact CD1-CG1 3.82Å; L31-V110 HydrophobicContact CD1-CG2 4.35Å
32E95.6Very high96.4Very high73 Ų7351.5 Ų51.534%0.34125%0.252SS..Hα-helixtrans-65.3-43.7179.1-170.770.3-145.200111.2F28 F34 Q35 G36 R83F28-E32 HydrophobicContact CE2-CB 4.04Å; F28-E32 HydrophobicContact CE2-CG 4.42Å; F28-E32 WeakPolarHBondContact CE2-OE2 3.49Å; F28-E32 HydrophobicContact CZ-CB 4.1Å; F28-E32 HydrophobicContact CZ-CG 4.16Å; F28-E32 WeakPolarHBondContact O-CB 3.49Å; F28-E32 PolarHBondContact O-N 3.28Å; E32-F34 VanDerWaalsContact C-N 3.33Å; E32-F34 PolarHBondContact O-N 3.07Å; E32-Q35 PolarHBondContact O-N 3.49Å; E32-G36 PolarHBondContact O-N 3.36Å; E32-R83 IonicContact OE2-CZ 2.74Å; E32-R83 IonicContact OE2-NE 3.27Å; E32-R83 PolarHBondContact OE2-NE 2.87Å; E32-R83 IonicContact OE2-NH2 3.62Å; E32-R83 PolarHBondContact OE2-NH2 2.9Å
33Q96.7Very high96.3Very high155 Ų15557.8 Ų57.872%0.72428%0.275SS*.Hα-helixtrans-63.2-41.5175.7-177.8171.3-21.900111.4A29 G36 Y37A29-Q33 WeakPolarHBondContact O-CB 3.45Å; A29-Q33 PolarHBondContact O-N 2.98Å; A29-Q33 VanDerWaalsContact O-N 3.09Å; Q33-G36 PolarHBondContact O-N 2.89Å; Q33-Y37 PolarHBondContact O-N 3.31Å
34F97.4Very high96.2Very high11 Ų1167 Ų675%0.04831%0.311CS..Hα-helixtrans-69.3-37.3178.9-167.7-115.2000112.4L23 V30 L31 E32 G36 Y37 V38 I102 D105 L106 P107 V110L23-F34 HydrophobicContact CD1-CD1 3.88Å; L23-F34 HydrophobicContact CD1-CE1 4.42Å; L23-F34 HydrophobicContact CD2-CD1 3.9Å; L23-F34 HydrophobicContact CD2-CE1 3.77Å; L23-F34 HydrophobicContact CG-CD1 4.48Å; V30-F34 VanDerWaalsContact O-CB 3.28Å; V30-F34 WeakPolarHBondContact O-CB 3.37Å; V30-F34 PolarHBondContact O-N 2.81Å; L31-F34 PolarHBondContact O-N 2.92Å; E32-F34 VanDerWaalsContact C-N 3.33Å; E32-F34 PolarHBondContact O-N 3.07Å; F34-G36 VanDerWaalsContact C-N 3.3Å; F34-G36 PolarHBondContact O-N 3.06Å; F34-Y37 AromaticContact CD2-CD1 3.9Å; F34-Y37 HydrophobicContact CD2-CD1 3.9Å; F34-Y37 AromaticContact CE2-CD1 3.59Å; F34-Y37 HydrophobicContact CE2-CD1 3.59Å; F34-Y37 HydrophobicContact CE2-CE1 4.11Å; F34-Y37 HydrophobicContact CZ-CD1 4.46Å; F34-Y37 WeakPolarHBondContact O-CB 3.46Å; F34-Y37 PolarHBondContact O-N 3.02Å; F34-Y37 VanDerWaalsContact O-N 3.14Å; F34-V38 HydrophobicContact CD1-CG2 4.06Å; F34-V38 HydrophobicContact CE1-CG2 3.7Å; F34-V38 HydrophobicContact CE2-CG2 4.33Å; F34-V38 HydrophobicContact CZ-CG2 3.86Å; F34-V38 WeakPolarHBondContact O-CG2 3.38Å; F34-V38 PolarHBondContact O-N 3.09Å; F34-I102 HydrophobicContact CE1-CG2 4.13Å; F34-I102 HydrophobicContact CZ-CG2 3.96Å; F34-D105 HydrophobicContact CE2-CB 4.3Å; F34-D105 VanDerWaalsContact CE2-O 3.24Å; F34-D105 WeakPolarHBondContact CE2-O 3.47Å; F34-L106 HydrophobicContact CD1-CD1 4.37Å; F34-L106 HydrophobicContact CE1-CD1 3.52Å; F34-L106 HydrophobicContact CZ-CD1 3.91Å; F34-P107 HydrophobicContact CB-CG 4.2Å; F34-P107 HydrophobicContact CD1-CG 4.47Å; F34-P107 VanDerWaalsContact CD2-CD 3.47Å; F34-P107 HydrophobicContact CD2-CG 3.62Å; F34-P107 VanDerWaalsContact CE2-CD 3.48Å; F34-P107 HydrophobicContact CE2-CG 4.1Å; F34-P107 HydrophobicContact CG-CG 3.84Å; F34-V110 HydrophobicContact CD1-CG1 4.18Å
35Q97.3Very high96.1Very high21 Ų2166.1 Ų66.110%0.09831%0.312CS..Hα-helixtrans-58.1-45169.9-176.9-141.2-59.800111L23 L31 E32 Y37 V38 H39 R83 V85L23-Q35 HydrophobicContact CD1-CB 4.01Å; L31-Q35 PolarHBondContact O-N 3.12Å; E32-Q35 PolarHBondContact O-N 3.49Å; Q35-Y37 VanDerWaalsContact C-N 3.29Å; Q35-Y37 PolarHBondContact O-N 3.33Å; Q35-V38 PolarHBondContact O-N 3.31Å; Q35-H39 WeakPolarHBondContact O-CB 3.33Å; Q35-H39 PolarHBondContact O-N 2.93Å; Q35-R83 HydrophobicContact CB-CB 3.98Å; Q35-R83 HydrophobicContact CB-CG 4.37Å; Q35-R83 HydrophobicContact CG-CB 4Å; Q35-R83 VanDerWaalsContact OE1-CD 3.24Å; Q35-V85 HydrophobicContact CG-CG2 3.73Å
36G97Very high95.9Very high26 Ų2669.1 Ų69.127%0.26834%0.342SS..Hα-helixtrans-61.2-36.4175.400000113.1E32 Q33 F34 K40E32-G36 PolarHBondContact O-N 3.36Å; Q33-G36 PolarHBondContact O-N 2.89Å; F34-G36 VanDerWaalsContact C-N 3.3Å; F34-G36 PolarHBondContact O-N 3.06Å; G36-K40 VanDerWaalsContact O-CG 3.32Å; G36-K40 WeakPolarHBondContact O-CG 3.26Å; G36-K40 PolarHBondContact O-N 2.9Å
37Y97Very high95.9Very high88 Ų8863.8 Ų63.835%0.34532%0.322SS..Hα-helixtrans-64.8-55.7173.1174-104.8000111.9Q33 F34 Q35 H39 K40 V41 D105Q33-Y37 PolarHBondContact O-N 3.31Å; F34-Y37 AromaticContact CD2-CD1 3.9Å; F34-Y37 HydrophobicContact CD2-CD1 3.9Å; F34-Y37 AromaticContact CE2-CD1 3.59Å; F34-Y37 HydrophobicContact CE2-CD1 3.59Å; F34-Y37 HydrophobicContact CE2-CE1 4.11Å; F34-Y37 HydrophobicContact CZ-CD1 4.46Å; F34-Y37 WeakPolarHBondContact O-CB 3.46Å; F34-Y37 PolarHBondContact O-N 3.02Å; F34-Y37 VanDerWaalsContact O-N 3.14Å; Q35-Y37 VanDerWaalsContact C-N 3.29Å; Q35-Y37 PolarHBondContact O-N 3.33Å; Y37-H39 VanDerWaalsContact C-N 3.27Å; Y37-H39 PolarHBondContact O-N 3.34Å; Y37-K40 WeakPolarHBondContact O-CA 3.21Å; Y37-K40 WeakPolarHBondContact O-CB 3.42Å; Y37-K40 PolarHBondContact O-N 3.31Å; Y37-V41 HydrophobicContact CD1-CG2 4.17Å; Y37-V41 HydrophobicContact CD2-CG2 4.15Å; Y37-V41 HydrophobicContact CE1-CG2 3.68Å; Y37-V41 HydrophobicContact CE2-CG2 3.64Å; Y37-V41 HydrophobicContact CG-CG2 4.39Å; Y37-V41 WeakPolarHBondContact O-CG2 3.11Å; Y37-V41 PolarHBondContact O-N 3.49Å; Y37-D105 HydrophobicContact CE1-CB 3.67Å; Y37-D105 WeakPolarHBondContact CE1-OD2 3.45Å; Y37-D105 PolarHBondContact OH-OD2 2.83Å
38V97Very high95.8Very high0 Ų065.1 Ų65.10%032%0.323CS..Hα-helixtrans-55.1-45.7179.3169.80000110.7I21 L23 F34 Q35 K40 V41 V42 V85 I102I21-V38 HydrophobicContact CD1-CG1 4.08Å; I21-V38 HydrophobicContact CG2-CG1 4.22Å; L23-V38 HydrophobicContact CD1-CG2 4.23Å; F34-V38 HydrophobicContact CD1-CG2 4.06Å; F34-V38 HydrophobicContact CE1-CG2 3.7Å; F34-V38 HydrophobicContact CE2-CG2 4.33Å; F34-V38 HydrophobicContact CZ-CG2 3.86Å; F34-V38 WeakPolarHBondContact O-CG2 3.38Å; F34-V38 PolarHBondContact O-N 3.09Å; Q35-V38 PolarHBondContact O-N 3.31Å; V38-K40 VanDerWaalsContact C-N 3.29Å; V38-K40 PolarHBondContact O-N 3Å; V38-V41 PolarHBondContact O-N 2.9Å; V38-V42 HydrophobicContact CG1-CG2 4.05Å; V38-V42 WeakPolarHBondContact O-CB 3.34Å; V38-V42 WeakPolarHBondContact O-CG2 3.49Å; V38-V42 PolarHBondContact O-N 2.74Å; V38-V85 HydrophobicContact CG1-CG2 4.33Å; V38-I102 HydrophobicContact CG1-CD1 3.85Å; V38-I102 HydrophobicContact CG1-CG1 4.37Å; V38-I102 HydrophobicContact CG2-CG1 4.36Å; V38-I102 HydrophobicContact CG2-CG2 3.87Å
39H97.2Very high95.8Very high44 Ų4462.7 Ų62.720%0.20432%0.316CS..Hα-helixtrans-58.1-38.2177175.8-95.8000113.1Q35 Y37 R43 V85Q35-H39 WeakPolarHBondContact O-CB 3.33Å; Q35-H39 PolarHBondContact O-N 2.93Å; Y37-H39 VanDerWaalsContact C-N 3.27Å; Y37-H39 PolarHBondContact O-N 3.34Å; H39-R43 PolarHBondContact CE1-NH2 3.45Å; H39-R43 PolarHBondContact NE2-NH2 2.9Å; H39-R43 WeakPolarHBondContact O-CB 3.41Å; H39-R43 PolarHBondContact O-N 3.46Å; H39-V85 HydrophobicContact CB-CG2 4.49Å
40K96.7Very high95.7Very high119 Ų11962.5 Ų62.552%0.51731%0.308SS..Hα-helixtrans-70.8-47.2174.9-71.3169.6-172.71740111.6G36 Y37 V38 V42 R43 Y44G36-K40 VanDerWaalsContact O-CG 3.32Å; G36-K40 WeakPolarHBondContact O-CG 3.26Å; G36-K40 PolarHBondContact O-N 2.9Å; Y37-K40 WeakPolarHBondContact O-CA 3.21Å; Y37-K40 WeakPolarHBondContact O-CB 3.42Å; Y37-K40 PolarHBondContact O-N 3.31Å; V38-K40 VanDerWaalsContact C-N 3.29Å; V38-K40 PolarHBondContact O-N 3Å; K40-V42 PolarHBondContact O-N 3.45Å; K40-R43 WeakPolarHBondContact O-CB 3.46Å; K40-R43 PolarHBondContact O-N 3.17Å; K40-Y44 HydrophobicContact CB-CD2 4.43Å; K40-Y44 HydrophobicContact CB-CE2 4.1Å; K40-Y44 WeakPolarHBondContact O-CD2 3.49Å; K40-Y44 PolarHBondContact O-N 3.48Å
41V96Very high95.6Very high17 Ų1762.4 Ų62.410%0.10331%0.306CS..Hα-helixtrans-56.3-50.6179.6169.40000110.9Y37 V38 R43 Y44 M45 V101Y37-V41 HydrophobicContact CD1-CG2 4.17Å; Y37-V41 HydrophobicContact CD2-CG2 4.15Å; Y37-V41 HydrophobicContact CE1-CG2 3.68Å; Y37-V41 HydrophobicContact CE2-CG2 3.64Å; Y37-V41 HydrophobicContact CG-CG2 4.39Å; Y37-V41 WeakPolarHBondContact O-CG2 3.11Å; Y37-V41 PolarHBondContact O-N 3.49Å; V38-V41 PolarHBondContact O-N 2.9Å; V41-R43 VanDerWaalsContact C-N 3.28Å; V41-R43 PolarHBondContact O-N 3.39Å; V41-Y44 PolarHBondContact O-N 3.19Å; V41-M45 HydrophobicContact CG1-CG 4.48Å; V41-M45 HydrophobicContact CG1-SD 4.07Å; V41-M45 WeakPolarHBondContact O-CG 3.44Å; V41-M45 PolarHBondContact O-N 3.25Å; V41-V101 HydrophobicContact CG1-CG1 3.67Å
42V95.7Very high95.4Very high0 Ų064 Ų640%032%0.319CS..Hα-helixtrans-56.8-43.3178.71690000111.5I21 V38 K40 M45 G46 F47 V49 L87 L98I21-V42 HydrophobicContact CD1-CG2 3.92Å; V38-V42 HydrophobicContact CG1-CG2 4.05Å; V38-V42 WeakPolarHBondContact O-CB 3.34Å; V38-V42 WeakPolarHBondContact O-CG2 3.49Å; V38-V42 PolarHBondContact O-N 2.74Å; K40-V42 PolarHBondContact O-N 3.45Å; V42-M45 PolarHBondContact O-N 2.97Å; V42-G46 PolarHBondContact O-N 3.31Å; V42-F47 HydrophobicContact CG1-CB 3.59Å; V42-F47 HydrophobicContact CG1-CD2 4.2Å; V42-F47 HydrophobicContact CG1-CG 4.31Å; V42-F47 PolarHBondContact O-N 3.25Å; V42-F47 VanDerWaalsContact O-N 3.12Å; V42-V49 HydrophobicContact CB-CG2 4.34Å; V42-V49 HydrophobicContact CG1-CG2 3.57Å; V42-L87 HydrophobicContact CG1-CD1 3.94Å; V42-L87 HydrophobicContact CG1-CD2 3.36Å; V42-L87 HydrophobicContact CG1-CG 4.32Å; V42-L98 HydrophobicContact CG2-CD1 3.81Å
43R95.2Very high95.3Very high148 Ų14861.1 Ų61.156%0.55830%0.304SS*.Hα-helixtrans-65.5-40.7176.6-176.5-177.8-65.7168.5-7.6111.8H39 K40 V41 M45 G46H39-R43 PolarHBondContact CE1-NH2 3.45Å; H39-R43 PolarHBondContact NE2-NH2 2.9Å; H39-R43 WeakPolarHBondContact O-CB 3.41Å; H39-R43 PolarHBondContact O-N 3.46Å; K40-R43 WeakPolarHBondContact O-CB 3.46Å; K40-R43 PolarHBondContact O-N 3.17Å; V41-R43 VanDerWaalsContact C-N 3.28Å; V41-R43 PolarHBondContact O-N 3.39Å; R43-M45 VanDerWaalsContact C-N 3.31Å; R43-M45 PolarHBondContact O-N 2.98Å; R43-G46 PolarHBondContact O-N 2.81Å
44Y95.2Very high95.2Very high193 Ų19356 Ų5676%0.75729%0.288SS*.Hα-helixtrans-66.6-32.3176.6-68.3-42.7000112.9K40 V41 G46K40-Y44 HydrophobicContact CB-CD2 4.43Å; K40-Y44 HydrophobicContact CB-CE2 4.1Å; K40-Y44 WeakPolarHBondContact O-CD2 3.49Å; K40-Y44 PolarHBondContact O-N 3.48Å; V41-Y44 PolarHBondContact O-N 3.19Å; Y44-G46 PolarHBondContact O-N 3.33Å
45M93Very high94.9Very high64 Ų6455.8 Ų55.832%0.31529%0.289SS..THydrogen-bonded Turntrans-73.2-5.8172-67.4-179.176.900113.3V41 V42 R43 F47 L97 L98V41-M45 HydrophobicContact CG1-CG 4.48Å; V41-M45 HydrophobicContact CG1-SD 4.07Å; V41-M45 WeakPolarHBondContact O-CG 3.44Å; V41-M45 PolarHBondContact O-N 3.25Å; V42-M45 PolarHBondContact O-N 2.97Å; R43-M45 VanDerWaalsContact C-N 3.31Å; R43-M45 PolarHBondContact O-N 2.98Å; M45-F47 HydrophobicContact CB-CD2 3.68Å; M45-F47 HydrophobicContact CB-CE2 3.7Å; M45-F47 HydrophobicContact CE-CE2 3.88Å; M45-F47 HydrophobicContact SD-CE2 4.05Å; M45-L97 HydrophobicContact CE-CD2 3.95Å; M45-L97 HydrophobicContact CE-CG 3.86Å; M45-L98 HydrophobicContact CE-CB 4.33Å; M45-L98 HydrophobicContact CE-CD1 4.42Å; M45-L98 HydrophobicContact SD-CD1 3.62Å
46G92.4Very high94.7Very high66 Ų6658 Ų5868%0.6831%0.305SS*.THydrogen-bonded Turntrans85.611.2176.600000115V42 R43 Y44V42-G46 PolarHBondContact O-N 3.31Å; R43-G46 PolarHBondContact O-N 2.81Å; Y44-G46 PolarHBondContact O-N 3.33Å
47F94.2Very high94.5Very high18 Ų1859.5 Ų59.58%0.07931%0.309CS..  trans-75.1146.9174.2-64.2-75.7000111.6V42 M45 V49 L87 V90 L94 L98V42-F47 HydrophobicContact CG1-CB 3.59Å; V42-F47 HydrophobicContact CG1-CD2 4.2Å; V42-F47 HydrophobicContact CG1-CG 4.31Å; V42-F47 PolarHBondContact O-N 3.25Å; V42-F47 VanDerWaalsContact O-N 3.12Å; M45-F47 HydrophobicContact CB-CD2 3.68Å; M45-F47 HydrophobicContact CB-CE2 3.7Å; M45-F47 HydrophobicContact CE-CE2 3.88Å; M45-F47 HydrophobicContact SD-CE2 4.05Å; F47-V49 PolarHBondContact O-N 3.15Å; F47-L87 HydrophobicContact CB-CD1 4.44Å; F47-V90 HydrophobicContact CD1-CG1 4Å; F47-V90 HydrophobicContact CE1-CG1 3.74Å; F47-L94 HydrophobicContact CE1-CB 3.9Å; F47-L94 HydrophobicContact CE1-CD1 4.24Å; F47-L94 HydrophobicContact CZ-CB 3.65Å; F47-L94 HydrophobicContact CZ-CD1 4.34Å; F47-L98 HydrophobicContact CD2-CD1 4.22Å; F47-L98 HydrophobicContact CD2-CD2 4.24Å; F47-L98 HydrophobicContact CE2-CB 3.97Å; F47-L98 HydrophobicContact CE2-CD1 3.86Å; F47-L98 HydrophobicContact CE2-CD2 3.91Å; F47-L98 HydrophobicContact CE2-CG 4.13Å; F47-L98 HydrophobicContact CZ-CB 4.09Å; F47-L98 HydrophobicContact CZ-CD2 4.16Å
48K94.7Very high94.3Very high122 Ų12261.8 Ų61.853%0.5332%0.317SS..EExtended strand (participates in β ladder)trans-81.8103.6176.2-179179.9169.3-168.20110.1L87 A88 D89K48-L87 WeakPolarHBondContact O-CA 3.38Å; K48-A88 HydrophobicContact CD-CB 4.21Å; K48-A88 HydrophobicContact CG-CB 4.46Å; K48-A88 PolarHBondContact O-N 3.38Å; K48-D89 IonicContact NZ-OD2 2.74Å; K48-D89 PolarHBondContact NZ-OD2 3.41Å
49V95Very high94.1Very high36 Ų3666.2 Ų66.222%0.21834%0.341CS..EExtended strand (participates in β ladder)trans-79.1128.2170.2-173.70000109.1V42 F47 V85 L87V42-V49 HydrophobicContact CB-CG2 4.34Å; V42-V49 HydrophobicContact CG1-CG2 3.57Å; F47-V49 PolarHBondContact O-N 3.15Å; V49-V85 HydrophobicContact CG1-CG1 4.08Å; V49-L87 HydrophobicContact CB-CD2 4.39Å; V49-L87 HydrophobicContact CG2-CD2 3.9Å
50V94Very high94Very high58 Ų5866.7 Ų66.735%0.35235%0.349SS..EExtended strand (participates in β ladder)trans-94.8-49.3176.3-175.80000111.7Q86 A88V50-Q86 HydrophobicContact CB-CG 4.49Å; V50-Q86 PolarHBondContact N-O 3.12Å; V50-A88 HydrophobicContact CG2-CB 3.3Å
51D93Very high93.9Very high52 Ų5267.2 Ų67.228%0.27836%0.357SS..EExtended strand (participates in β ladder)trans-151.3157-177.2-162.17.6000110.1Q86 R125D51-Q86 PolarHBondContact O-N 3.45Å; D51-R125 IonicContact OD2-CZ 2.89Å; D51-R125 VanDerWaalsContact OD2-CZ 3.27Å; D51-R125 IonicContact OD2-NH1 2.84Å; D51-R125 PolarHBondContact OD2-NH1 3.34Å; D51-R125 IonicContact OD2-NH2 3.29Å; D51-R125 PolarHBondContact OD2-NH2 3.33Å
52A93.8Very high93.8Very high33 Ų3368.9 Ų68.927%0.27337%0.369SS..EExtended strand (participates in β ladder)trans-135.1118.6169.700000107.9N84 V85A52-N84 CarbonylContact C-O 3.55Å; A52-N84 VanDerWaalsContact CA-O 3.3Å; A52-N84 WeakPolarHBondContact CA-O 3.22Å; A52-V85 HydrophobicContact CB-CG2 4.44Å
53W93.4Very high93.7Very high12 Ų1271.3 Ų71.35%0.04538%0.384CS..EExtended strand (participates in β ladder)trans-140.3158.5-167.656.9-95.9000112.7A55 N84 I121 R125W53-A55 HydrophobicContact CZ3-CB 3.83Å; W53-N84 HydrophobicContact CD2-CB 3.8Å; W53-N84 HydrophobicContact CE3-CB 4.07Å; W53-N84 HydrophobicContact CG-CB 4.46Å; W53-N84 HydrophobicContact CH2-CB 3.81Å; W53-N84 VanDerWaalsContact CH2-CG 3.49Å; W53-N84 WeakPolarHBondContact CH2-ND2 3.08Å; W53-N84 HydrophobicContact CZ2-CB 3.52Å; W53-N84 HydrophobicContact CZ3-CB 4.08Å; W53-N84 WeakPolarHBondContact CZ3-ND2 3.27Å; W53-N84 PolarHBondContact N-O 3.11Å; W53-N84 PolarHBondContact O-N 2.97Å; W53-I121 HydrophobicContact CH2-CG2 3.66Å; W53-I121 HydrophobicContact CZ2-CG2 3.86Å; W53-R125 HydrophobicContact CE3-CB 4.46Å; W53-R125 HydrophobicContact CE3-CG 4.25Å; W53-R125 HydrophobicContact CZ3-CB 4.48Å
54A93.3Very high93.7Very high47 Ų4768.1 Ų68.139%0.38838%0.377SS..EExtended strand (participates in β ladder)trans-99.4131.4-179.700000110.5
55A92.6Very high93.8Very high7 Ų765.3 Ų65.36%0.05837%0.366CS..EExtended strand (participates in β ladder)trans-85.1154.9167.100000110.1W53 T57 E82W53-A55 HydrophobicContact CZ3-CB 3.83Å; A55-T57 PolarHBondContact O-N 3Å; A55-E82 HydrophobicContact CB-CB 3.81Å; A55-E82 HydrophobicContact CB-CG 4.05Å; A55-E82 WeakPolarHBondContact CB-OE1 3.3Å; A55-E82 PolarHBondContact N-O 3.1Å
56P92.2Very high93.9Very high68 Ų6867.3 Ų67.344%0.44237%0.373SS..EExtended strand (participates in β ladder)trans-61.8135.7176.525.3-34000111.4R58 I124P56-R58 PolarHBondContact O-N 2.83Å; P56-I124 WeakPolarHBondContact CD-O 3.4Å; P56-I124 HydrophobicContact CG-CG2 4.24Å; P56-I124 WeakPolarHBondContact CG-O 3.24Å
57T92.7Very high94Very high57 Ų5769.6 Ų69.635%0.3538%0.376SS..EExtended strand (participates in β ladder)trans-62.4131.5-179.8-550000111.2A55 H80 Y81A55-T57 PolarHBondContact O-N 3Å; T57-H80 WeakPolarHBondContact CG2-O 3.36Å; T57-Y81 HydrophobicContact CG2-CD1 3.74Å; T57-Y81 HydrophobicContact CG2-CE1 3.62Å; T57-Y81 HydrophobicContact CG2-CG 4.38Å; T57-Y81 WeakPolarHBondContact OG1-CD1 3.16Å; T57-Y81 WeakPolarHBondContact OG1-CE1 3.33Å
58R92.3Very high93.9Very high136 Ų13681.6 Ų81.651%0.51342%0.421SS..EExtended strand (participates in β ladder)trans-98.8115.6175.2-61-177.8-172.4-96.7-0.2108.9P56 H80P56-R58 PolarHBondContact O-N 2.83Å; R58-H80 HydrophobicContact CB-CB 4.48Å; R58-H80 PolarHBondContact N-O 2.92Å; R58-H80 WeakPolarHBondContact O-CB 3.32Å; R58-H80 PolarHBondContact O-N 3.24Å
59N94.6Very high93.8Very high93 Ų9378.7 Ų78.750%0.49742%0.416SS..EExtended strand (participates in β ladder)trans-95.4125.9177.8-60.8-46000109.5L78 S79N59-L78 CarbonylContact C-O 3.57Å; N59-L78 WeakPolarHBondContact CA-O 3.27Å; N59-S79 PolarHBondContact OD1-OG 2.93Å; N59-S79 VanDerWaalsContact OD1-OG 3.11Å
60S94.3Very high93.6Very high55 Ų5586.4 Ų86.439%0.38545%0.446SS..EExtended strand (participates in β ladder)trans-116.7147.7171.756.30000110.5L78S60-L78 PolarHBondContact N-O 2.84Å; S60-L78 PolarHBondContact O-N 3.17Å
61L95.1Very high93.6Very high129 Ų12985.6 Ų85.668%0.67545%0.446SS*.EExtended strand (participates in β ladder)trans-103120175.4-67.4173.7000108.7V75 K77L61-V75 HydrophobicContact CD2-CG1 4.31Å; L61-K77 HydrophobicContact CD2-CB 4.09Å; L61-K77 HydrophobicContact CD2-CG 4.2Å
62C92.9Very high93.6Very high52 Ų5286.7 Ų86.735%0.35145%0.454SS..EExtended strand (participates in β ladder)trans-108.2108.4176.5-70.20000109.2Y76 L78C62-Y76 PolarHBondContact N-O 3.05Å; C62-Y76 PolarHBondContact O-N 3.48Å; C62-L78 HydrophobicContact CB-CD1 4.19Å; C62-L78 HydrophobicContact CB-CG 4.37Å; C62-L78 WeakPolarHBondContact SG-CD1 3.31Å
63T94.5Very high93.6Very high51 Ų5190.5 Ų90.531%0.31347%0.466SS..EExtended strand (participates in β ladder)trans-96.7121.1178.9-560000109.6Y65 V72 A74 V75T63-Y65 HydrophobicContact CG2-CD1 4.46Å; T63-Y65 HydrophobicContact CG2-CD2 4.49Å; T63-Y65 HydrophobicContact CG2-CE1 3.97Å; T63-Y65 HydrophobicContact CG2-CE2 4Å; T63-V72 HydrophobicContact CG2-CB 4.23Å; T63-V72 HydrophobicContact CG2-CG1 3.64Å; T63-V72 HydrophobicContact CG2-CG2 3.73Å; T63-A74 WeakPolarHBondContact CA-O 3.38Å; T63-V75 HydrophobicContact CG2-CG2 4.18Å
64I95.1Very high93.6Very high81 Ų8191.3 Ų91.342%0.41548%0.475SS..EExtended strand (participates in β ladder)trans-92130.4170-55.3-168.2000107.9E73 A74 Y76I64-E73 HydrophobicContact CG2-CB 4.45Å; I64-E73 WeakPolarHBondContact O-CB 3.24Å; I64-E73 PolarHBondContact O-N 2.94Å; I64-A74 PolarHBondContact N-O 3.16Å; I64-A74 PolarHBondContact O-N 3.48Å; I64-Y76 HydrophobicContact CD1-CD2 3.98Å; I64-Y76 HydrophobicContact CD1-CE2 3.45Å; I64-Y76 VanDerWaalsContact CD1-CE2 3.45Å; I64-Y76 HydrophobicContact CG1-CD2 4.07Å; I64-Y76 HydrophobicContact CG1-CE2 3.9Å
65Y96.2Very high93.7Very high134 Ų13493.1 Ų93.153%0.52548%0.481SS..EExtended strand (participates in β ladder)trans-103.7147.3177.9-63.3-84000110.3T63 K70 V72T63-Y65 HydrophobicContact CG2-CD1 4.46Å; T63-Y65 HydrophobicContact CG2-CD2 4.49Å; T63-Y65 HydrophobicContact CG2-CE1 3.97Å; T63-Y65 HydrophobicContact CG2-CE2 4Å; Y65-K70 WeakPolarHBondContact CD1-O 3.41Å; Y65-V72 HydrophobicContact CD1-CG2 4.21Å; Y65-V72 HydrophobicContact CE1-CG2 3.86Å
66K95.2Very high93.8Very high107 Ų10798.8 Ų98.847%0.46550%0.502SS..PPolyproline II helixtrans-60.3144.5175-67.9-174.9-178.2-179.20110.4R68 S69 A71 E73K66-R68 PolarHBondContact O-N 3.29Å; K66-S69 PolarHBondContact O-N 3.44Å; K66-S69 VanDerWaalsContact O-O 3.13Å; K66-A71 HydrophobicContact CD-CB 4.2Å; K66-A71 PolarHBondContact N-O 2.83Å; K66-E73 HydrophobicContact CG-CB 3.78Å; K66-E73 HydrophobicContact CG-CG 4.16Å
67P94.7Very high93.9Very high114 Ų114102.3 Ų102.374%0.7451%0.51SS*.THydrogen-bonded Turntrans-52.3127.9177.5-26.734.1000111.7S69P67-S69 PolarHBondContact O-N 2.97Å
68R92.6Very high93.9Very high270 Ų270102.2 Ų102.2100%1.01951%0.508SS*.THydrogen-bonded Turntrans59.120.5-179.8-55.7177.6172.6157.2-2.3115.2K66K66-R68 PolarHBondContact O-N 3.29Å
69S92.6Very high94Very high61 Ų6197.2 Ų97.243%0.42749%0.493SS..SBendtrans-132.8155.1176.8-175.70000111K66 P67 A71K66-S69 PolarHBondContact O-N 3.44Å; K66-S69 VanDerWaalsContact O-O 3.13Å; P67-S69 PolarHBondContact O-N 2.97Å; S69-A71 VanDerWaalsContact C-N 3.25Å; S69-A71 WeakPolarHBondContact OG-CB 3.42Å; S69-A71 PolarHBondContact OG-N 2.7Å; S69-A71 VanDerWaalsContact OG-N 3.09Å
70K90.5Very high94.1Very high197 Ų19794.1 Ų94.186%0.85748%0.476SS*.SBendtrans-85.7-1.4168.1-63.2-176.2-179.1-179.60112.2Y65 V72Y65-K70 WeakPolarHBondContact CD1-O 3.41Å; K70-V72 PolarHBondContact O-N 3.47Å
71A93.8Very high94.2Very high42 Ų4294.1 Ų94.135%0.34747%0.468SS..SBendtrans-66.9126.4175.600000109.8K66 S69 E73K66-A71 HydrophobicContact CD-CB 4.2Å; K66-A71 PolarHBondContact N-O 2.83Å; S69-A71 VanDerWaalsContact C-N 3.25Å; S69-A71 WeakPolarHBondContact OG-CB 3.42Å; S69-A71 PolarHBondContact OG-N 2.7Å; S69-A71 VanDerWaalsContact OG-N 3.09Å; A71-E73 PolarHBondContact O-N 3.36Å
72V93.1Very high94.2Very high75 Ų7588.5 Ų88.546%0.45544%0.438SS..EExtended strand (participates in β ladder)trans-65129.7174.3176.20000109T63 Y65 K70 V75T63-V72 HydrophobicContact CG2-CB 4.23Å; T63-V72 HydrophobicContact CG2-CG1 3.64Å; T63-V72 HydrophobicContact CG2-CG2 3.73Å; Y65-V72 HydrophobicContact CD1-CG2 4.21Å; Y65-V72 HydrophobicContact CE1-CG2 3.86Å; K70-V72 PolarHBondContact O-N 3.47Å; V72-V75 HydrophobicContact CG1-CG2 3.66Å
73E93.7Very high94.3Very high113 Ų11387.4 Ų87.453%0.52843%0.427SS..EExtended strand (participates in β ladder)trans-93.2-50.6174.5-172173.3156.800110.6I64 K66 A71I64-E73 HydrophobicContact CG2-CB 4.45Å; I64-E73 WeakPolarHBondContact O-CB 3.24Å; I64-E73 PolarHBondContact O-N 2.94Å; K66-E73 HydrophobicContact CG-CB 3.78Å; K66-E73 HydrophobicContact CG-CG 4.16Å; A71-E73 PolarHBondContact O-N 3.36Å
74A93.8Very high94.4Very high28 Ų2885 Ų8523%0.23141%0.412CS..EExtended strand (participates in β ladder)trans-150.1149.9179.700000110.6T63 I64 Y76T63-A74 WeakPolarHBondContact CA-O 3.38Å; I64-A74 PolarHBondContact N-O 3.16Å; I64-A74 PolarHBondContact O-N 3.48Å; A74-Y76 HydrophobicContact CB-CD2 4.35Å; A74-Y76 HydrophobicContact CB-CE2 3.59Å
75V94.6Very high94.4Very high85 Ų8581.1 Ų81.152%0.51539%0.392SS..EExtended strand (participates in β ladder)trans-120.7120.1172.4-1770000107.7L61 T63 V72L61-V75 HydrophobicContact CD2-CG1 4.31Å; T63-V75 HydrophobicContact CG2-CG2 4.18Å; V72-V75 HydrophobicContact CG1-CG2 3.66Å
76Y94.3Very high94.4Very high127 Ų12775.2 Ų75.250%0.49837%0.369SS..EExtended strand (participates in β ladder)trans-104.9130.2176-63.7-82.7000109.5C62 I64 A74C62-Y76 PolarHBondContact N-O 3.05Å; C62-Y76 PolarHBondContact O-N 3.48Å; I64-Y76 HydrophobicContact CD1-CD2 3.98Å; I64-Y76 HydrophobicContact CD1-CE2 3.45Å; I64-Y76 VanDerWaalsContact CD1-CE2 3.45Å; I64-Y76 HydrophobicContact CG1-CD2 4.07Å; I64-Y76 HydrophobicContact CG1-CE2 3.9Å; A74-Y76 HydrophobicContact CB-CD2 4.35Å; A74-Y76 HydrophobicContact CB-CE2 3.59Å
77K94.3Very high94.5Very high141 Ų14170.1 Ų70.161%0.61335%0.347SS*.EExtended strand (participates in β ladder)trans-92.4110.6168.6-175.2179178.6-178.30108L61L61-K77 HydrophobicContact CD2-CB 4.09Å; L61-K77 HydrophobicContact CD2-CG 4.2Å
78L93.8Very high94.4Very high55 Ų5564.9 Ų64.929%0.28831%0.313SS..EExtended strand (participates in β ladder)trans-95.9115.6176.6-57.8-173.8000109Y26 N59 S60 C62Y26-L78 HydrophobicContact CD1-CB 4.33Å; Y26-L78 HydrophobicContact CE1-CB 4.06Å; Y26-L78 HydrophobicContact CE1-CD1 4.25Å; N59-L78 CarbonylContact C-O 3.57Å; N59-L78 WeakPolarHBondContact CA-O 3.27Å; S60-L78 PolarHBondContact N-O 2.84Å; S60-L78 PolarHBondContact O-N 3.17Å; C62-L78 HydrophobicContact CB-CD1 4.19Å; C62-L78 HydrophobicContact CB-CG 4.37Å; C62-L78 WeakPolarHBondContact SG-CD1 3.31Å
79S95Very high94.4Very high31 Ų3155.6 Ų55.622%0.21728%0.284CS..EExtended strand (participates in β ladder)trans-93.3116.4172.9-59.50000108.7N59N59-S79 PolarHBondContact OD1-OG 2.93Å; N59-S79 VanDerWaalsContact OD1-OG 3.11Å
80H95.2Very high94.4Very high28 Ų2852.8 Ų52.813%0.1326%0.264CS..EExtended strand (participates in β ladder)trans-102.7112.6179.6-172.4-96.9000109.7Y26 T57 R58Y26-H80 HydrophobicContact CE1-CB 4.39Å; Y26-H80 AromaticContact CE1-CD2 3.97Å; T57-H80 WeakPolarHBondContact CG2-O 3.36Å; R58-H80 HydrophobicContact CB-CB 4.48Å; R58-H80 PolarHBondContact N-O 2.92Å; R58-H80 WeakPolarHBondContact O-CB 3.32Å; R58-H80 PolarHBondContact O-N 3.24Å
81Y96.3Very high94.5Very high56 Ų5644.9 Ų44.922%0.2223%0.233CC..EExtended strand (participates in β ladder)trans-94.8149.3-179.2-56.8-81.2000110.5R24 G25 Y26 F28 L31 T57R24-Y81 WeakPolarHBondContact CA-O 3.37Å; G25-Y81 PolarHBondContact N-O 3.19Å; G25-Y81 PolarHBondContact O-N 3.07Å; Y26-Y81 WeakPolarHBondContact O-CD2 3.23Å; Y26-Y81 WeakPolarHBondContact O-CE2 3.46Å; F28-Y81 HydrophobicContact CB-CD1 4.42Å; F28-Y81 HydrophobicContact CB-CD2 3.99Å; F28-Y81 HydrophobicContact CB-CE1 4.3Å; F28-Y81 HydrophobicContact CB-CE2 3.84Å; F28-Y81 HydrophobicContact CB-CG 4.28Å; F28-Y81 HydrophobicContact CD2-CD1 4.11Å; F28-Y81 HydrophobicContact CD2-CE1 4.46Å; F28-Y81 HydrophobicContact CD2-CG 4.31Å; L31-Y81 WeakPolarHBondContact CD2-O 3.47Å; T57-Y81 HydrophobicContact CG2-CD1 3.74Å; T57-Y81 HydrophobicContact CG2-CE1 3.62Å; T57-Y81 HydrophobicContact CG2-CG 4.38Å; T57-Y81 WeakPolarHBondContact OG1-CD1 3.16Å; T57-Y81 WeakPolarHBondContact OG1-CE1 3.33Å
82E95.7Very high94.3Very high11 Ų1144.1 Ų44.15%0.05123%0.226CC..EExtended strand (participates in β ladder)trans-136136.2177.4-172.5-177.7116.200110Q22 L23 R24 A55 N84Q22-E82 HydrophobicContact CG-CG 3.84Å; Q22-E82 PolarHBondContact OE1-OE1 3.32Å; L23-E82 CarbonylContact O-C 3.5Å; L23-E82 VanDerWaalsContact O-CA 3.31Å; L23-E82 WeakPolarHBondContact O-CA 3.17Å; R24-E82 HydrophobicContact CG-CB 4.24Å; R24-E82 HydrophobicContact CG-CG 3.88Å; R24-E82 IonicContact CZ-OE2 3.35Å; R24-E82 VanDerWaalsContact CZ-OE2 3.29Å; R24-E82 IonicContact NE-OE2 3.4Å; R24-E82 PolarHBondContact NE-OE2 2.9Å; R24-E82 IonicContact NH2-OE2 2.9Å; R24-E82 PolarHBondContact NH2-OE2 3.03Å; A55-E82 HydrophobicContact CB-CB 3.81Å; A55-E82 HydrophobicContact CB-CG 4.05Å; A55-E82 WeakPolarHBondContact CB-OE1 3.3Å; A55-E82 PolarHBondContact N-O 3.1Å; E82-N84 PolarHBondContact OE1-ND2 3.38Å
83R95.7Very high94.1Very high28 Ų2846 Ų4611%0.10623%0.23CC..EExtended strand (participates in β ladder)trans-131.8134.1177.5-66.1-56.9-177.8-119.222109.7L23 L31 E32 Q35L23-R83 WeakPolarHBondContact CA-O 3.21Å; L23-R83 HydrophobicContact CB-CB 4.38Å; L23-R83 WeakPolarHBondContact CB-O 3.32Å; L23-R83 PolarHBondContact N-O 3.15Å; L23-R83 PolarHBondContact O-N 3.39Å; L31-R83 HydrophobicContact CD2-CB 4.38Å; L31-R83 HydrophobicContact CD2-CG 3.81Å; L31-R83 HydrophobicContact CG-CB 4.23Å; L31-R83 HydrophobicContact CG-CG 3.79Å; E32-R83 IonicContact OE2-CZ 2.74Å; E32-R83 IonicContact OE2-NE 3.27Å; E32-R83 PolarHBondContact OE2-NE 2.87Å; E32-R83 IonicContact OE2-NH2 3.62Å; E32-R83 PolarHBondContact OE2-NH2 2.9Å; Q35-R83 HydrophobicContact CB-CB 3.98Å; Q35-R83 HydrophobicContact CB-CG 4.37Å; Q35-R83 HydrophobicContact CG-CB 4Å; Q35-R83 VanDerWaalsContact OE1-CD 3.24Å
84N95.3Very high94Very high0 Ų043.4 Ų43.40%022%0.22CC..EExtended strand (participates in β ladder)trans-124.5133.6-174-72.5-73.7000109.9I21 Q22 A52 W53 E82I21-N84 CarbonylContact O-C 3.6Å; I21-N84 WeakPolarHBondContact O-CA 3.34Å; Q22-N84 VanDerWaalsContact CA-OD1 3.27Å; Q22-N84 WeakPolarHBondContact CA-OD1 3.12Å; Q22-N84 WeakPolarHBondContact CB-OD1 3.08Å; Q22-N84 WeakPolarHBondContact CG-OD1 3.36Å; A52-N84 CarbonylContact C-O 3.55Å; A52-N84 VanDerWaalsContact CA-O 3.3Å; A52-N84 WeakPolarHBondContact CA-O 3.22Å; W53-N84 HydrophobicContact CD2-CB 3.8Å; W53-N84 HydrophobicContact CE3-CB 4.07Å; W53-N84 HydrophobicContact CG-CB 4.46Å; W53-N84 HydrophobicContact CH2-CB 3.81Å; W53-N84 VanDerWaalsContact CH2-CG 3.49Å; W53-N84 WeakPolarHBondContact CH2-ND2 3.08Å; W53-N84 HydrophobicContact CZ2-CB 3.52Å; W53-N84 HydrophobicContact CZ3-CB 4.08Å; W53-N84 WeakPolarHBondContact CZ3-ND2 3.27Å; W53-N84 PolarHBondContact N-O 3.11Å; W53-N84 PolarHBondContact O-N 2.97Å; E82-N84 PolarHBondContact OE1-ND2 3.38Å
85V96.7Very high93.9Very high0 Ų043 Ų430%021%0.214CC..EExtended strand (participates in β ladder)trans-113.7119.1168.9-177.30000107.7I21 Q35 V38 H39 V49 A52 L87I21-V85 HydrophobicContact CB-CB 4.35Å; I21-V85 PolarHBondContact N-O 2.88Å; I21-V85 PolarHBondContact O-N 2.92Å; Q35-V85 HydrophobicContact CG-CG2 3.73Å; V38-V85 HydrophobicContact CG1-CG2 4.33Å; H39-V85 HydrophobicContact CB-CG2 4.49Å; V49-V85 HydrophobicContact CG1-CG1 4.08Å; A52-V85 HydrophobicContact CB-CG2 4.44Å; V85-L87 HydrophobicContact CG1-CD2 4.08Å
86Q95.9Very high93.8Very high11 Ų1144.3 Ų44.35%0.05122%0.218CC..EExtended strand (participates in β ladder)trans-101.2127.8-177.4178.9171.28300111.1N20 V50 D51 H117N20-Q86 WeakPolarHBondContact OD1-CB 3.38Å; N20-Q86 VanDerWaalsContact OD1-CG 3.26Å; N20-Q86 WeakPolarHBondContact OD1-CG 3.37Å; N20-Q86 PolarHBondContact OD1-NE2 2.91Å; V50-Q86 HydrophobicContact CB-CG 4.49Å; V50-Q86 PolarHBondContact N-O 3.12Å; D51-Q86 PolarHBondContact O-N 3.45Å; Q86-H117 PolarHBondContact NE2-CD2 2.98Å; Q86-H117 PolarHBondContact NE2-ND1 2.91Å; Q86-H117 PolarHBondContact NE2-NE2 3.25Å
87L96Very high93.7Very high0 Ų042.6 Ų42.60%022%0.217CC..EExtended strand (participates in β ladder)trans-108.7150.4177.2-48-171.1000110.3R18 L19 I21 V42 F47 K48 V49 V85 V90 L98R18-L87 WeakPolarHBondContact CA-O 3.37Å; L19-L87 PolarHBondContact N-O 3.28Å; L19-L87 PolarHBondContact O-N 3.29Å; I21-L87 HydrophobicContact CD1-CD1 3.86Å; I21-L87 HydrophobicContact CD1-CG 4.28Å; I21-L87 HydrophobicContact CG1-CD1 4.49Å; V42-L87 HydrophobicContact CG1-CD1 3.94Å; V42-L87 HydrophobicContact CG1-CD2 3.36Å; V42-L87 HydrophobicContact CG1-CG 4.32Å; F47-L87 HydrophobicContact CB-CD1 4.44Å; K48-L87 WeakPolarHBondContact O-CA 3.38Å; V49-L87 HydrophobicContact CB-CD2 4.39Å; V49-L87 HydrophobicContact CG2-CD2 3.9Å; V85-L87 HydrophobicContact CG1-CD2 4.08Å; L87-V90 HydrophobicContact CB-CG2 3.36Å; L87-V90 HydrophobicContact CD1-CG2 4.01Å; L87-V90 HydrophobicContact CG-CG2 4.33Å; L87-L98 HydrophobicContact CD1-CD2 3.75Å
88A94.3Very high93.6Very high3 Ų336 Ų363%0.02519%0.189CC..EExtended strand (participates in β ladder)trans-117.7152.1169.700000111.6S17 K48 V50 V90S17-A88 VanDerWaalsContact O-CA 3.29Å; S17-A88 WeakPolarHBondContact O-CA 3.37Å; K48-A88 HydrophobicContact CD-CB 4.21Å; K48-A88 HydrophobicContact CG-CB 4.46Å; K48-A88 PolarHBondContact O-N 3.38Å; V50-A88 HydrophobicContact CG2-CB 3.3Å; A88-V90 VanDerWaalsContact C-N 3.28Å; A88-V90 PolarHBondContact O-N 2.93Å
89D92.6Very high93.7Very high76 Ų7635.6 Ų35.641%0.40619%0.186SC..EExtended strand (participates in β ladder)trans56.342169-49.1-47.3000112.1L15 Y16 S17 K48 P91L15-D89 HydrophobicContact CD2-CB 4.22Å; Y16-D89 CarbonylContact O-C 3.59Å; Y16-D89 WeakPolarHBondContact O-CA 3.3Å; Y16-D89 PolarHBondContact O-N 3.4Å; S17-D89 PolarHBondContact O-N 3.13Å; S17-D89 VanDerWaalsContact O-N 3.13Å; K48-D89 IonicContact NZ-OD2 2.74Å; K48-D89 PolarHBondContact NZ-OD2 3.41Å; D89-P91 WeakPolarHBondContact O-CD 3.5Å
90V92.7Very high93.7Very high1 Ų138 Ų381%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-80.1120.3-172.6-177.70000110.2L15 Y16 L19 F47 L87 A88 A92 V95L15-V90 CarbonylContact C-O 3.55Å; L15-V90 WeakPolarHBondContact CA-O 3.38Å; Y16-V90 PolarHBondContact N-O 2.91Å; Y16-V90 PolarHBondContact O-N 2.85Å; L19-V90 HydrophobicContact CB-CG2 4.23Å; L19-V90 HydrophobicContact CD2-CB 4.4Å; L19-V90 HydrophobicContact CD2-CG1 4.19Å; L19-V90 HydrophobicContact CD2-CG2 4.4Å; F47-V90 HydrophobicContact CD1-CG1 4Å; F47-V90 HydrophobicContact CE1-CG1 3.74Å; L87-V90 HydrophobicContact CB-CG2 3.36Å; L87-V90 HydrophobicContact CD1-CG2 4.01Å; L87-V90 HydrophobicContact CG-CG2 4.33Å; A88-V90 VanDerWaalsContact C-N 3.28Å; A88-V90 PolarHBondContact O-N 2.93Å; V90-A92 PolarHBondContact O-N 3.14Å; V90-V95 HydrophobicContact CG1-CG2 3.61Å
91P91.6Very high93.7Very high31 Ų3138.8 Ų38.820%0.20120%0.204CC..EExtended strand (participates in β ladder)trans-66124.4175.1-18.631.8000110.8D89 H93 L94D89-P91 WeakPolarHBondContact O-CD 3.5Å; P91-H93 WeakPolarHBondContact CB-CE1 3.29Å; P91-H93 PolarHBondContact O-N 3.41Å; P91-H93 VanDerWaalsContact O-N 3.12Å; P91-L94 HydrophobicContact CB-CD1 4.3Å; P91-L94 HydrophobicContact CB-CG 4.36Å; P91-L94 HydrophobicContact CG-CD1 4.15Å; P91-L94 PolarHBondContact O-N 2.83Å
92A89.6Confident93.7Very high26 Ų2636.3 Ų36.322%0.21519%0.194CC..Hα-helixtrans-58.3-32.9-172.700000113.9P14 Y16 V90 L94 V95P14-A92 HydrophobicContact CB-CB 4.45Å; P14-A92 HydrophobicContact CG-CB 3.88Å; P14-A92 VanDerWaalsContact O-CB 3.25Å; P14-A92 WeakPolarHBondContact O-CB 3.12Å; P14-A92 PolarHBondContact O-N 2.93Å; Y16-A92 HydrophobicContact CD2-CB 4.15Å; Y16-A92 HydrophobicContact CE2-CB 3.64Å; V90-A92 PolarHBondContact O-N 3.14Å; A92-L94 VanDerWaalsContact C-N 3.26Å; A92-L94 PolarHBondContact O-N 2.8Å; A92-V95 WeakPolarHBondContact O-CB 3.34Å; A92-V95 PolarHBondContact O-N 2.83Å
93H89.2Confident93.7Very high116 Ų11640.6 Ų40.654%0.53721%0.214SC..Hα-helixtrans-70.4-18.7-179.866.8-81.7000114P91P91-H93 WeakPolarHBondContact CB-CE1 3.29Å; P91-H93 PolarHBondContact O-N 3.41Å; P91-H93 VanDerWaalsContact O-N 3.12Å
94L91.5Very high93.7Very high58 Ų5844.9 Ų44.930%0.30424%0.244SC..Hα-helixtrans-95.8-8.3177.5-59.6179.6000112.8F47 P91 A92 D96 L97 L98F47-L94 HydrophobicContact CE1-CB 3.9Å; F47-L94 HydrophobicContact CE1-CD1 4.24Å; F47-L94 HydrophobicContact CZ-CB 3.65Å; F47-L94 HydrophobicContact CZ-CD1 4.34Å; P91-L94 HydrophobicContact CB-CD1 4.3Å; P91-L94 HydrophobicContact CB-CG 4.36Å; P91-L94 HydrophobicContact CG-CD1 4.15Å; P91-L94 PolarHBondContact O-N 2.83Å; A92-L94 VanDerWaalsContact C-N 3.26Å; A92-L94 PolarHBondContact O-N 2.8Å; L94-D96 VanDerWaalsContact C-N 3.31Å; L94-D96 PolarHBondContact O-N 3.46Å; L94-L97 PolarHBondContact O-N 3.16Å; L94-L98 WeakPolarHBondContact O-CB 3.41Å; L94-L98 PolarHBondContact O-N 2.52Å
95V91.8Very high93.7Very high19 Ų1948.2 Ų48.212%0.11526%0.262CS..Hα-helixtrans-63.7-39.8-178.6174.70000111.2Y16 L19 V90 A92 L98 L99 L114Y16-V95 HydrophobicContact CD2-CG2 3.98Å; Y16-V95 HydrophobicContact CE2-CG2 3.98Å; L19-V95 HydrophobicContact CD2-CG1 4.44Å; L19-V95 HydrophobicContact CD2-CG2 4.18Å; V90-V95 HydrophobicContact CG1-CG2 3.61Å; A92-V95 WeakPolarHBondContact O-CB 3.34Å; A92-V95 PolarHBondContact O-N 2.83Å; V95-L98 PolarHBondContact O-N 3.39Å; V95-L99 WeakPolarHBondContact O-CB 3.47Å; V95-L99 PolarHBondContact O-N 3.46Å; V95-L114 HydrophobicContact CG1-CD2 3.45Å; V95-L114 VanDerWaalsContact CG1-CD2 3.45Å
96D92.1Very high93.6Very high113 Ų11351 Ų5160%0.60428%0.276SS*.Hα-helixtrans-60.8-50.7178.5-163.750.3000111.1L94 L98 L99 D100L94-D96 VanDerWaalsContact C-N 3.31Å; L94-D96 PolarHBondContact O-N 3.46Å; D96-L98 VanDerWaalsContact C-N 3.32Å; D96-L98 PolarHBondContact O-N 3.37Å; D96-L99 WeakPolarHBondContact O-CB 3.48Å; D96-L99 PolarHBondContact O-N 3.26Å; D96-L99 VanDerWaalsContact O-N 3.09Å; D96-D100 PolarHBondContact O-N 3.47Å
97L93.2Very high93.6Very high91 Ų9152.2 Ų52.248%0.47629%0.285SS..Hα-helixtrans-59-42.4175.4179.664.6000112.4M45 L94 L99 D100 V101M45-L97 HydrophobicContact CE-CD2 3.95Å; M45-L97 HydrophobicContact CE-CG 3.86Å; L94-L97 PolarHBondContact O-N 3.16Å; L97-L99 VanDerWaalsContact C-N 3.3Å; L97-L99 PolarHBondContact O-N 3.25Å; L97-D100 PolarHBondContact O-N 3.43Å; L97-V101 WeakPolarHBondContact O-CG2 3.2Å; L97-V101 PolarHBondContact O-N 2.94Å
98L92.3Very high93.5Very high3 Ų361.5 Ų61.52%0.01633%0.328CS..Hα-helixtrans-62.3-41.6176.9176.563.3000111.3I21 V42 M45 F47 L87 L94 V95 D96 I102I21-L98 HydrophobicContact CD1-CD2 4.18Å; V42-L98 HydrophobicContact CG2-CD1 3.81Å; M45-L98 HydrophobicContact CE-CB 4.33Å; M45-L98 HydrophobicContact CE-CD1 4.42Å; M45-L98 HydrophobicContact SD-CD1 3.62Å; F47-L98 HydrophobicContact CD2-CD1 4.22Å; F47-L98 HydrophobicContact CD2-CD2 4.24Å; F47-L98 HydrophobicContact CE2-CB 3.97Å; F47-L98 HydrophobicContact CE2-CD1 3.86Å; F47-L98 HydrophobicContact CE2-CD2 3.91Å; F47-L98 HydrophobicContact CE2-CG 4.13Å; F47-L98 HydrophobicContact CZ-CB 4.09Å; F47-L98 HydrophobicContact CZ-CD2 4.16Å; L87-L98 HydrophobicContact CD1-CD2 3.75Å; L94-L98 WeakPolarHBondContact O-CB 3.41Å; L94-L98 PolarHBondContact O-N 2.52Å; V95-L98 PolarHBondContact O-N 3.39Å; D96-L98 VanDerWaalsContact C-N 3.32Å; D96-L98 PolarHBondContact O-N 3.37Å; L98-I102 HydrophobicContact CD1-CD1 3.83Å; L98-I102 HydrophobicContact CD1-CG1 4.36Å; L98-I102 HydrophobicContact CG-CD1 3.96Å; L98-I102 WeakPolarHBondContact O-CG1 3.36Å; L98-I102 PolarHBondContact O-N 3.27Å; L98-I102 VanDerWaalsContact O-N 3.16Å
99L94.4Very high93.4Very high45 Ų4564.2 Ų64.224%0.23636%0.357CS..Hα-helixtrans-66.3-43.8-179.9-17461000111.1V95 D96 L97 V101 I102 Q103 L112V95-L99 WeakPolarHBondContact O-CB 3.47Å; V95-L99 PolarHBondContact O-N 3.46Å; D96-L99 WeakPolarHBondContact O-CB 3.48Å; D96-L99 PolarHBondContact O-N 3.26Å; D96-L99 VanDerWaalsContact O-N 3.09Å; L97-L99 VanDerWaalsContact C-N 3.3Å; L97-L99 PolarHBondContact O-N 3.25Å; L99-V101 PolarHBondContact O-N 3.37Å; L99-I102 PolarHBondContact O-N 2.95Å; L99-Q103 HydrophobicContact CD1-CG 4.08Å; L99-Q103 HydrophobicContact CG-CG 4.22Å; L99-Q103 VanDerWaalsContact CG-NE2 3.29Å; L99-Q103 VanDerWaalsContact O-CB 3.31Å; L99-Q103 WeakPolarHBondContact O-CB 3.48Å; L99-Q103 VanDerWaalsContact O-CG 3.27Å; L99-Q103 WeakPolarHBondContact O-CG 3.44Å; L99-Q103 PolarHBondContact O-N 3.46Å; L99-L112 HydrophobicContact CD1-CD2 3.59Å; L99-L112 HydrophobicContact CD1-CG 4.39Å
100D95.5Very high93.6Very high81 Ų8161.2 Ų61.243%0.43334%0.341SS..Hα-helixtrans-58.8-45177.3-78.6-12.7000112.3D96 L97 Q103 T104D96-D100 PolarHBondContact O-N 3.47Å; L97-D100 PolarHBondContact O-N 3.43Å; D100-Q103 PolarHBondContact O-N 3.35Å; D100-T104 WeakPolarHBondContact O-CB 3.49Å; D100-T104 PolarHBondContact O-N 3.06Å; D100-T104 PolarHBondContact O-OG1 3.49Å
101V95.4Very high93.8Very high46 Ų4667 Ų6728%0.27937%0.368SS..Hα-helixtrans-61.7-49177.7174.50000110.3V41 L97 L99 Q103 T104 D105V41-V101 HydrophobicContact CG1-CG1 3.67Å; L97-V101 WeakPolarHBondContact O-CG2 3.2Å; L97-V101 PolarHBondContact O-N 2.94Å; L99-V101 PolarHBondContact O-N 3.37Å; V101-Q103 PolarHBondContact O-N 3.09Å; V101-T104 PolarHBondContact O-N 3.04Å; V101-D105 PolarHBondContact O-N 3.47Å
102I95.7Very high94Very high3 Ų367.2 Ų67.22%0.01537%0.367CS..Hα-helixtrans-67.3-38.8-178-63.1167.6000111.4I21 F34 V38 L98 L99 T104 D105 L106 L112I21-I102 HydrophobicContact CD1-CD1 3.88Å; I21-I102 HydrophobicContact CG2-CD1 4.35Å; F34-I102 HydrophobicContact CE1-CG2 4.13Å; F34-I102 HydrophobicContact CZ-CG2 3.96Å; V38-I102 HydrophobicContact CG1-CD1 3.85Å; V38-I102 HydrophobicContact CG1-CG1 4.37Å; V38-I102 HydrophobicContact CG2-CG1 4.36Å; V38-I102 HydrophobicContact CG2-CG2 3.87Å; L98-I102 HydrophobicContact CD1-CD1 3.83Å; L98-I102 HydrophobicContact CD1-CG1 4.36Å; L98-I102 HydrophobicContact CG-CD1 3.96Å; L98-I102 WeakPolarHBondContact O-CG1 3.36Å; L98-I102 PolarHBondContact O-N 3.27Å; L98-I102 VanDerWaalsContact O-N 3.16Å; L99-I102 PolarHBondContact O-N 2.95Å; I102-T104 VanDerWaalsContact C-N 3.34Å; I102-D105 PolarHBondContact O-N 3.41Å; I102-L106 PolarHBondContact O-N 2.85Å; I102-L112 HydrophobicContact CB-CD2 4.22Å; I102-L112 HydrophobicContact CG2-CD1 3.95Å; I102-L112 HydrophobicContact CG2-CD2 3.66Å; I102-L112 HydrophobicContact CG2-CG 4.44Å
103Q95.3Very high94.2Very high102 Ų10267.8 Ų67.848%0.47737%0.369SS..Hα-helixtrans-67.2-35.7178.7-76.4-173.314.800112.3L99 D100 V101 D105 L106 L112L99-Q103 HydrophobicContact CD1-CG 4.08Å; L99-Q103 HydrophobicContact CG-CG 4.22Å; L99-Q103 VanDerWaalsContact CG-NE2 3.29Å; L99-Q103 VanDerWaalsContact O-CB 3.31Å; L99-Q103 WeakPolarHBondContact O-CB 3.48Å; L99-Q103 VanDerWaalsContact O-CG 3.27Å; L99-Q103 WeakPolarHBondContact O-CG 3.44Å; L99-Q103 PolarHBondContact O-N 3.46Å; D100-Q103 PolarHBondContact O-N 3.35Å; V101-Q103 PolarHBondContact O-N 3.09Å; Q103-D105 VanDerWaalsContact C-N 3.27Å; Q103-D105 PolarHBondContact O-N 3.03Å; Q103-L106 VanDerWaalsContact O-CB 3.29Å; Q103-L106 WeakPolarHBondContact O-CB 3.36Å; Q103-L106 PolarHBondContact O-N 3.23Å; Q103-L112 HydrophobicContact CG-CD2 3.69Å
104T96.2Very high94.5Very high117 Ų11765.1 Ų65.172%0.71836%0.359SS*.Hα-helixtrans-61.6-38.1178.6-60.70000111.7D100 V101 I102D100-T104 WeakPolarHBondContact O-CB 3.49Å; D100-T104 PolarHBondContact O-N 3.06Å; D100-T104 PolarHBondContact O-OG1 3.49Å; V101-T104 PolarHBondContact O-N 3.04Å; I102-T104 VanDerWaalsContact C-N 3.34Å
105D94.9Very high94.6Very high71 Ų7164.6 Ų64.638%0.3836%0.355SS..THydrogen-bonded Turntrans-95.48.3-178.5-60.1-48.2000113.6F34 Y37 V101 I102 Q103 P107F34-D105 HydrophobicContact CE2-CB 4.3Å; F34-D105 VanDerWaalsContact CE2-O 3.24Å; F34-D105 WeakPolarHBondContact CE2-O 3.47Å; Y37-D105 HydrophobicContact CE1-CB 3.67Å; Y37-D105 WeakPolarHBondContact CE1-OD2 3.45Å; Y37-D105 PolarHBondContact OH-OD2 2.83Å; V101-D105 PolarHBondContact O-N 3.47Å; I102-D105 PolarHBondContact O-N 3.41Å; Q103-D105 VanDerWaalsContact C-N 3.27Å; Q103-D105 PolarHBondContact O-N 3.03Å; D105-P107 VanDerWaalsContact O-CD 3.24Å; D105-P107 WeakPolarHBondContact O-CD 3.18Å
106L96.2Very high94.6Very high58 Ų5869.4 Ų69.430%0.30438%0.376SS..PPolyproline II helixtrans-65.7118.4-172.6-169.866.9000111.1F34 I102 Q103 V110 L112F34-L106 HydrophobicContact CD1-CD1 4.37Å; F34-L106 HydrophobicContact CE1-CD1 3.52Å; F34-L106 HydrophobicContact CZ-CD1 3.91Å; I102-L106 PolarHBondContact O-N 2.85Å; Q103-L106 VanDerWaalsContact O-CB 3.29Å; Q103-L106 WeakPolarHBondContact O-CB 3.36Å; Q103-L106 PolarHBondContact O-N 3.23Å; L106-V110 HydrophobicContact CD1-CB 4.2Å; L106-V110 HydrophobicContact CD1-CG1 3.92Å; L106-L112 HydrophobicContact CD1-CB 4.02Å; L106-L112 HydrophobicContact CD2-CB 4.17Å
107P96.1Very high94.6Very high36 Ų3666.2 Ų66.223%0.23436%0.357CS..PPolyproline II helixtrans-68.1154179.2-2033.1000112.2V30 F34 D105 G109 V110V30-P107 HydrophobicContact CG1-CB 3.74Å; V30-P107 HydrophobicContact CG1-CG 4.12Å; F34-P107 HydrophobicContact CB-CG 4.2Å; F34-P107 HydrophobicContact CD1-CG 4.47Å; F34-P107 VanDerWaalsContact CD2-CD 3.47Å; F34-P107 HydrophobicContact CD2-CG 3.62Å; F34-P107 VanDerWaalsContact CE2-CD 3.48Å; F34-P107 HydrophobicContact CE2-CG 4.1Å; F34-P107 HydrophobicContact CG-CG 3.84Å; D105-P107 VanDerWaalsContact O-CD 3.24Å; D105-P107 WeakPolarHBondContact O-CD 3.18Å; P107-G109 PolarHBondContact O-N 3.21Å; P107-V110 HydrophobicContact CB-CG2 4.07Å; P107-V110 HydrophobicContact CG-CG2 4.35Å; P107-V110 PolarHBondContact O-N 2.95Å
108Q92.9Very high94.6Very high196 Ų19664.8 Ų64.892%0.91635%0.352SS*.THydrogen-bonded Turntrans-62.8136.7175.1-62.9-179.517.500111V110Q108-V110 PolarHBondContact O-N 3.34Å
109G92.7Very high94.4Very high60 Ų6068.2 Ų68.262%0.61938%0.381SS*.THydrogen-bonded Turntrans80.2-1.3-178.500000114.8P107P107-G109 PolarHBondContact O-N 3.21Å
110V96.4Very high94.2Very high12 Ų1273.4 Ų73.47%0.07340%0.404CS..EExtended strand (participates in β ladder)trans-97.2132.2169.7-1780000109.4L23 R24 V30 L31 F34 L106 P107 Q108L23-V110 HydrophobicContact CB-CG1 4.49Å; R24-V110 CarbonylContact O-C 3.54Å; R24-V110 VanDerWaalsContact O-CA 3.28Å; R24-V110 WeakPolarHBondContact O-CA 3.43Å; V30-V110 HydrophobicContact CG1-CG2 4.05Å; L31-V110 HydrophobicContact CD1-CG1 3.82Å; L31-V110 HydrophobicContact CD1-CG2 4.35Å; F34-V110 HydrophobicContact CD1-CG1 4.18Å; L106-V110 HydrophobicContact CD1-CB 4.2Å; L106-V110 HydrophobicContact CD1-CG1 3.92Å; P107-V110 HydrophobicContact CB-CG2 4.07Å; P107-V110 HydrophobicContact CG-CG2 4.35Å; P107-V110 PolarHBondContact O-N 2.95Å; Q108-V110 PolarHBondContact O-N 3.34Å
111Q96.4Very high93.9Very high123 Ų12370.8 Ų70.858%0.57539%0.39SS*.EExtended strand (participates in β ladder)trans-105.7132.8173.7-63-176.5-45.900109.6L23 R24L23-Q111 CarbonylContact C-O 3.6Å; L23-Q111 WeakPolarHBondContact CA-O 3.33Å; R24-Q111 HydrophobicContact CB-CB 4.23Å; R24-Q111 PolarHBondContact N-O 3.27Å; R24-Q111 PolarHBondContact O-N 3.32Å
112L96Very high93.5Very high36 Ų3672.8 Ų72.819%0.18840%0.396CS..EExtended strand (participates in β ladder)trans-104.3136.5176.9176.766.8000109.8I21 L23 L99 I102 Q103 L106I21-L112 HydrophobicContact CG2-CD1 3.54Å; L23-L112 HydrophobicContact CD2-CD1 3.54Å; L99-L112 HydrophobicContact CD1-CD2 3.59Å; L99-L112 HydrophobicContact CD1-CG 4.39Å; I102-L112 HydrophobicContact CB-CD2 4.22Å; I102-L112 HydrophobicContact CG2-CD1 3.95Å; I102-L112 HydrophobicContact CG2-CD2 3.66Å; I102-L112 HydrophobicContact CG2-CG 4.44Å; Q103-L112 HydrophobicContact CG-CD2 3.69Å; L106-L112 HydrophobicContact CD1-CB 4.02Å; L106-L112 HydrophobicContact CD2-CB 4.17Å
113S94.7Very high93.1Very high37 Ų3778.1 Ų78.126%0.25943%0.425SS..EExtended strand (participates in β ladder)trans-141.7142.917245.90000109.8Q22Q22-S113 VanDerWaalsContact CB-OG 3.3Å; Q22-S113 WeakPolarHBondContact CB-OG 3.45Å; Q22-S113 PolarHBondContact N-O 3.03Å; Q22-S113 PolarHBondContact NE2-OG 2.86Å; Q22-S113 PolarHBondContact O-N 2.94Å; Q22-S113 PolarHBondContact O-OG 3.24Å
114L94.1Very high92.7Very high61 Ų6176.4 Ų76.432%0.31942%0.418SS..EExtended strand (participates in β ladder)trans-124.4125-178.7-173.672.8000108.5L19 I21 V95L19-L114 HydrophobicContact CD1-CD1 4.16Å; L19-L114 HydrophobicContact CD1-CG 4.07Å; L19-L114 HydrophobicContact CD2-CD1 3.76Å; L19-L114 HydrophobicContact CD2-CD2 4.17Å; L19-L114 HydrophobicContact CD2-CG 4.18Å; L19-L114 HydrophobicContact CG-CD1 3.7Å; L19-L114 HydrophobicContact CG-CG 4.15Å; I21-L114 HydrophobicContact CG1-CD1 3.74Å; V95-L114 HydrophobicContact CG1-CD2 3.45Å; V95-L114 VanDerWaalsContact CG1-CD2 3.45Å
115H93.5Very high92.3Very high47 Ų4775.1 Ų75.122%0.21840%0.4CS..EExtended strand (participates in β ladder)trans-153.4159.1179.958.577.2000111.4N20 Q22 I121N20-H115 PolarHBondContact N-O 2.94Å; N20-H115 PolarHBondContact O-N 3.44Å; N20-H115 VanDerWaalsContact O-N 3.17Å; Q22-H115 PolarHBondContact OE1-NE2 3.32Å; H115-I121 WeakPolarHBondContact CE1-CD1 3.28Å; H115-I121 VanDerWaalsContact ND1-CD1 3.33Å; H115-I121 WeakPolarHBondContact ND1-CD1 3.48Å
116E93.6Very high91.8Very high119 Ų11977.9 Ų77.956%0.55641%0.406SS*.EExtended strand (participates in β ladder)trans-64.3150.6172.1-66.1-174.7-171.800110.8Y16 T118Y16-E116 HydrophobicContact CD1-CG 4.24Å; Y16-E116 WeakPolarHBondContact CD1-OE1 3.25Å; Y16-E116 WeakPolarHBondContact CE1-OE1 3.29Å; E116-T118 PolarHBondContact O-N 3.11Å
117H91.9Very high91.2Very high46 Ų4682.5 Ų82.521%0.21343%0.43CS..  trans-76.9122.2177-172.253.8000110.8R18 N20 Q86R18-H117 HydrophobicContact CB-CB 3.62Å; R18-H117 PolarHBondContact O-N 2.92Å; N20-H117 PolarHBondContact ND2-ND1 3.21Å; Q86-H117 PolarHBondContact NE2-CD2 2.98Å; Q86-H117 PolarHBondContact NE2-ND1 2.91Å; Q86-H117 PolarHBondContact NE2-NE2 3.25Å
118T92Very high90.3Very high61 Ų6184.9 Ų84.937%0.37445%0.445SS..  trans-113156.8175.369.10000111E116 E120 I121 E122E116-T118 PolarHBondContact O-N 3.11Å; T118-E120 PolarHBondContact O-N 3.48Å; T118-I121 PolarHBondContact O-N 3.48Å; T118-I121 VanDerWaalsContact O-N 3.12Å; T118-I121 WeakPolarHBondContact OG1-CD1 3.31Å; T118-I121 WeakPolarHBondContact OG1-CG1 3.42Å; T118-E122 PolarHBondContact O-N 3.26Å; T118-E122 VanDerWaalsContact O-N 3.15Å
119A89.5Confident89.9Confident75 Ų7579.3 Ų79.362%0.6242%0.422SS*.Hα-helixtrans-60.6-28.4176.700000112.8E122 N123A119-E122 PolarHBondContact O-N 3.35Å; A119-N123 WeakPolarHBondContact O-CB 3.24Å; A119-N123 PolarHBondContact O-N 3.05Å
120E89.2Confident89.5Confident154 Ų15479.6 Ų79.672%0.7241%0.414SS*.Hα-helixtrans-64.5-41.8175.6-62.4178.7169.700111.6T118 E122 N123 I124T118-E120 PolarHBondContact O-N 3.48Å; E120-E122 VanDerWaalsContact C-N 3.34Å; E120-N123 PolarHBondContact O-N 3.42Å; E120-I124 WeakPolarHBondContact O-CG1 3.43Å; E120-I124 PolarHBondContact O-N 3.46Å; E120-I124 VanDerWaalsContact O-N 3.11Å
121I88.5Confident89.1Confident26 Ų2684.1 Ų84.113%0.13344%0.438CS..Hα-helixtrans-68.3-39.1177.6-66.3162.1000110.3W53 H115 T118 I124W53-I121 HydrophobicContact CH2-CG2 3.66Å; W53-I121 HydrophobicContact CZ2-CG2 3.86Å; H115-I121 WeakPolarHBondContact CE1-CD1 3.28Å; H115-I121 VanDerWaalsContact ND1-CD1 3.33Å; H115-I121 WeakPolarHBondContact ND1-CD1 3.48Å; T118-I121 PolarHBondContact O-N 3.48Å; T118-I121 VanDerWaalsContact O-N 3.12Å; T118-I121 WeakPolarHBondContact OG1-CD1 3.31Å; T118-I121 WeakPolarHBondContact OG1-CG1 3.42Å; I121-I124 PolarHBondContact O-N 3.32Å
122E87.8Confident88.6Confident88 Ų8883 Ų8341%0.41144%0.436SS..Hα-helixtrans-61.2-43.5172.8-174.2167.7-156.800111.7T118 A119 E120 I124 R125 Y126T118-E122 PolarHBondContact O-N 3.26Å; T118-E122 VanDerWaalsContact O-N 3.15Å; A119-E122 PolarHBondContact O-N 3.35Å; E120-E122 VanDerWaalsContact C-N 3.34Å; E122-I124 VanDerWaalsContact C-N 3.33Å; E122-I124 PolarHBondContact O-N 3.18Å; E122-R125 WeakPolarHBondContact O-CB 3.42Å; E122-R125 PolarHBondContact O-N 2.74Å; E122-R125 VanDerWaalsContact O-N 3.15Å; E122-Y126 HydrophobicContact CG-CE2 3.9Å; E122-Y126 VanDerWaalsContact O-CD2 3.23Å; E122-Y126 WeakPolarHBondContact O-CD2 3.46Å
123N88.2Confident88.2Confident116 Ų11687.4 Ų87.462%0.6245%0.453SS*.Hα-helixtrans-64-35.8178.2-169.424.6000112.8A119 E120 R125 Y126A119-N123 WeakPolarHBondContact O-CB 3.24Å; A119-N123 PolarHBondContact O-N 3.05Å; E120-N123 PolarHBondContact O-N 3.42Å; N123-R125 PolarHBondContact O-N 3.25Å; N123-Y126 PolarHBondContact O-N 3.39Å; N123-Y126 VanDerWaalsContact O-N 3.07Å
124I87.2Confident88Confident66 Ų6691.3 Ų91.334%0.33847%0.467SS..Hα-helixtrans-60.1-27.8176.5-70.5164.7000112.1P56 E120 I121 E122 Y126P56-I124 WeakPolarHBondContact CD-O 3.4Å; P56-I124 HydrophobicContact CG-CG2 4.24Å; P56-I124 WeakPolarHBondContact CG-O 3.24Å; E120-I124 WeakPolarHBondContact O-CG1 3.43Å; E120-I124 PolarHBondContact O-N 3.46Å; E120-I124 VanDerWaalsContact O-N 3.11Å; I121-I124 PolarHBondContact O-N 3.32Å; E122-I124 VanDerWaalsContact C-N 3.33Å; E122-I124 PolarHBondContact O-N 3.18Å; I124-Y126 VanDerWaalsContact C-N 3.3Å; I124-Y126 PolarHBondContact O-N 2.76Å
125R86Confident87.9Confident90 Ų9090.3 Ų90.334%0.3447%0.468SS..Hα-helixtrans-63.8-36.5176.3-174.8-173.2178.6156.37.1111.9D51 W53 E122 N123D51-R125 IonicContact OD2-CZ 2.89Å; D51-R125 VanDerWaalsContact OD2-CZ 3.27Å; D51-R125 IonicContact OD2-NH1 2.84Å; D51-R125 PolarHBondContact OD2-NH1 3.34Å; D51-R125 IonicContact OD2-NH2 3.29Å; D51-R125 PolarHBondContact OD2-NH2 3.33Å; W53-R125 HydrophobicContact CE3-CB 4.46Å; W53-R125 HydrophobicContact CE3-CG 4.25Å; W53-R125 HydrophobicContact CZ3-CB 4.48Å; E122-R125 WeakPolarHBondContact O-CB 3.42Å; E122-R125 PolarHBondContact O-N 2.74Å; E122-R125 VanDerWaalsContact O-N 3.15Å; N123-R125 PolarHBondContact O-N 3.25Å
126Y85.6Confident87.9Confident128 Ų12893.6 Ų93.650%0.50248%0.483SS..SBendtrans-89.7135.7-170.7-62.3-71.3000111.6E122 N123 I124 P128E122-Y126 HydrophobicContact CG-CE2 3.9Å; E122-Y126 VanDerWaalsContact O-CD2 3.23Å; E122-Y126 WeakPolarHBondContact O-CD2 3.46Å; N123-Y126 PolarHBondContact O-N 3.39Å; N123-Y126 VanDerWaalsContact O-N 3.07Å; I124-Y126 VanDerWaalsContact C-N 3.3Å; I124-Y126 PolarHBondContact O-N 2.76Å; Y126-P128 WeakPolarHBondContact O-CD 3.47Å
127I82.6Confident87.9Confident156 Ų15694.8 Ų94.880%0.849%0.486SS*.PPolyproline II helixtrans-76125.1173.3-58.7172.1000107.4N129I127-N129 PolarHBondContact O-N 2.83Å
128P78.6Confident88Confident85 Ų8598.4 Ų98.455%0.55250%0.504SS*.PPolyproline II helixtrans-61.3126.4177.9-20.331000110.7Y126 S130 K133Y126-P128 WeakPolarHBondContact O-CD 3.47Å; P128-S130 PolarHBondContact O-N 3.35Å; P128-K133 VanDerWaalsContact CB-CE 3.42Å; P128-K133 VanDerWaalsContact CB-NZ 3.28Å
129N83.6Confident88.2Confident79 Ų79100.3 Ų100.342%0.42251%0.511SS..PPolyproline II helixtrans-69.4116.8178.2-171.9-17.5000110I127 D131 L132 K133I127-N129 PolarHBondContact O-N 2.83Å; N129-D131 VanDerWaalsContact C-N 3.29Å; N129-D131 PolarHBondContact O-N 2.91Å; N129-D131 PolarHBondContact OD1-N 2.88Å; N129-L132 HydrophobicContact CB-CB 4.08Å; N129-L132 HydrophobicContact CB-CD1 3.89Å; N129-L132 HydrophobicContact CB-CG 3.99Å; N129-K133 PolarHBondContact O-N 3.46Å
130S84.4Confident88.4Confident67 Ų67101.4 Ų101.447%0.46950%0.503SS..Hα-helixtrans-58.6-43.1178.545.60000111.6P128 L132 K133 E134P128-S130 PolarHBondContact O-N 3.35Å; S130-L132 PolarHBondContact O-N 2.84Å; S130-K133 WeakPolarHBondContact O-CB 3.4Å; S130-K133 PolarHBondContact O-N 3.35Å; S130-K133 VanDerWaalsContact O-N 3.11Å; S130-E134 WeakPolarHBondContact O-CG 3.21Å; S130-E134 PolarHBondContact O-N 2.97Å
131D87.7Confident88.7Confident107 Ų107100.4 Ų100.457%0.57250%0.498SS*.Hα-helixtrans-70-38.4-171.4-51.9-10000110.3N129 E134 A135N129-D131 VanDerWaalsContact C-N 3.29Å; N129-D131 PolarHBondContact O-N 2.91Å; N129-D131 PolarHBondContact OD1-N 2.88Å; D131-E134 PolarHBondContact O-N 2.89Å; D131-A135 WeakPolarHBondContact O-CB 3.35Å; D131-A135 PolarHBondContact O-N 3.27Å
132L86.5Confident89Confident100 Ų100103.3 Ų103.352%0.52452%0.518SS..Hα-helixtrans-63.9-40.6172.7-69.8-179.7000111.5N129 S130 E134 A135 H136N129-L132 HydrophobicContact CB-CB 4.08Å; N129-L132 HydrophobicContact CB-CD1 3.89Å; N129-L132 HydrophobicContact CB-CG 3.99Å; S130-L132 PolarHBondContact O-N 2.84Å; L132-E134 VanDerWaalsContact C-N 3.32Å; L132-E134 PolarHBondContact O-N 2.87Å; L132-A135 PolarHBondContact O-N 3.47Å; L132-H136 WeakPolarHBondContact O-CB 3.42Å; L132-H136 PolarHBondContact O-CD2 3.03Å; L132-H136 PolarHBondContact O-N 2.98Å
133K87Confident89.3Confident127 Ų127105.5 Ų105.555%0.55253%0.528SS*.Hα-helixtrans-63.8-39.5176.9-73.2179175.9-179.60111.9P128 N129 S130 K137P128-K133 VanDerWaalsContact CB-CE 3.42Å; P128-K133 VanDerWaalsContact CB-NZ 3.28Å; N129-K133 PolarHBondContact O-N 3.46Å; S130-K133 WeakPolarHBondContact O-CB 3.4Å; S130-K133 PolarHBondContact O-N 3.35Å; S130-K133 VanDerWaalsContact O-N 3.11Å; K133-K137 WeakPolarHBondContact O-CB 3.36Å; K133-K137 PolarHBondContact O-N 2.88Å
134E91.7Very high89.6Confident119 Ų119107.7 Ų107.756%0.55653%0.527SS*.Hα-helixtrans-66.1-43.7176.3-71.1178.5-172.700111.5S130 D131 L132 K137 Q138S130-E134 WeakPolarHBondContact O-CG 3.21Å; S130-E134 PolarHBondContact O-N 2.97Å; D131-E134 PolarHBondContact O-N 2.89Å; L132-E134 VanDerWaalsContact C-N 3.32Å; L132-E134 PolarHBondContact O-N 2.87Å; E134-K137 WeakPolarHBondContact O-CB 3.43Å; E134-K137 PolarHBondContact O-N 2.96Å; E134-Q138 WeakPolarHBondContact O-CG 3.31Å; E134-Q138 PolarHBondContact O-N 3.33Å
135A91.9Very high89.9Confident41 Ų41109.6 Ų109.634%0.33954%0.535SS..Hα-helixtrans-61.8-44.6175.300000112.3D131 L132 K137 Q138 L139D131-A135 WeakPolarHBondContact O-CB 3.35Å; D131-A135 PolarHBondContact O-N 3.27Å; L132-A135 PolarHBondContact O-N 3.47Å; A135-K137 VanDerWaalsContact C-N 3.31Å; A135-K137 PolarHBondContact O-N 3.19Å; A135-Q138 PolarHBondContact O-N 3.09Å; A135-L139 WeakPolarHBondContact O-CG 3.37Å; A135-L139 PolarHBondContact O-N 3.44Å
136H92.4Very high90.1Very high116 Ų116111.3 Ų111.354%0.53755%0.548SS..Hα-helixtrans-60.5-40.7174-80.4-67.1000112L132 L139 E140L132-H136 WeakPolarHBondContact O-CB 3.42Å; L132-H136 PolarHBondContact O-CD2 3.03Å; L132-H136 PolarHBondContact O-N 2.98Å; H136-L139 PolarHBondContact O-N 3.23Å; H136-E140 WeakPolarHBondContact O-CG 3.39Å; H136-E140 PolarHBondContact O-N 3.41Å
137K94Very high90.2Very high143 Ų143110.1 Ų110.162%0.62256%0.558SS**Hα-helixtrans-64.2-40.9176.6-174.9-176.9175.8-169.70112.2K133 E134 A135 E140 E141K133-K137 WeakPolarHBondContact O-CB 3.36Å; K133-K137 PolarHBondContact O-N 2.88Å; E134-K137 WeakPolarHBondContact O-CB 3.43Å; E134-K137 PolarHBondContact O-N 2.96Å; A135-K137 VanDerWaalsContact C-N 3.31Å; A135-K137 PolarHBondContact O-N 3.19Å; K137-E140 PolarHBondContact O-N 2.77Å; K137-E141 WeakPolarHBondContact O-CB 3.47Å; K137-E141 PolarHBondContact O-N 3.41Å
138Q94.6Very high90.2Very high123 Ų123112.2 Ų112.258%0.57556%0.556SS**Hα-helixtrans-64.8-41.3175.3-72.2174.9-6.400111.5E134 A135 E141 V142E134-Q138 WeakPolarHBondContact O-CG 3.31Å; E134-Q138 PolarHBondContact O-N 3.33Å; A135-Q138 PolarHBondContact O-N 3.09Å; Q138-E141 PolarHBondContact O-N 3.2Å; Q138-V142 WeakPolarHBondContact O-CG2 3.34Å; Q138-V142 PolarHBondContact O-N 3.11Å
139L94.5Very high89.9Confident101 Ų101117.4 Ų117.453%0.52958%0.578SS.*Hα-helixtrans-61.3-46.6174.7-74168.6000111.6A135 H136 E141 V142 E143A135-L139 WeakPolarHBondContact O-CG 3.37Å; A135-L139 PolarHBondContact O-N 3.44Å; H136-L139 PolarHBondContact O-N 3.23Å; L139-E141 VanDerWaalsContact C-N 3.26Å; L139-E141 PolarHBondContact O-N 3.45Å; L139-V142 PolarHBondContact O-N 2.88Å; L139-E143 WeakPolarHBondContact O-CB 3.48Å; L139-E143 WeakPolarHBondContact O-CG 3.33Å; L139-E143 PolarHBondContact O-N 2.85Å
140E95.4Very high90.2Very high98 Ų98119.4 Ų119.446%0.45859%0.586SS.*Hα-helixtrans-60.6-36.1175.9-74.8-177.9-170.500112.4H136 K137 R144H136-E140 WeakPolarHBondContact O-CG 3.39Å; H136-E140 PolarHBondContact O-N 3.41Å; K137-E140 PolarHBondContact O-N 2.77Å; E140-R144 WeakPolarHBondContact O-CB 3.28Å; E140-R144 WeakPolarHBondContact O-CG 3.37Å; E140-R144 PolarHBondContact O-N 2.83Å; E140-R144 IonicContact OE2-NH2 2.91Å
141E94.5Very high90.5Very high132 Ų132122.1 Ų122.162%0.61759%0.592SS**Hα-helixtrans-67.6-43.8176.3-173169.4-171.200111.4K137 Q138 L139 R144 E145K137-E141 WeakPolarHBondContact O-CB 3.47Å; K137-E141 PolarHBondContact O-N 3.41Å; Q138-E141 PolarHBondContact O-N 3.2Å; L139-E141 VanDerWaalsContact C-N 3.26Å; L139-E141 PolarHBondContact O-N 3.45Å; E141-R144 PolarHBondContact O-N 2.81Å; E141-E145 PolarHBondContact O-N 2.8Å
142V94.4Very high90.6Very high88 Ų88122.9 Ų122.953%0.53359%0.594SS.*Hα-helixtrans-64.4-43.4175.1172.50000111.3Q138 L139 R144 E145 M146Q138-V142 WeakPolarHBondContact O-CG2 3.34Å; Q138-V142 PolarHBondContact O-N 3.11Å; L139-V142 PolarHBondContact O-N 2.88Å; V142-R144 VanDerWaalsContact C-N 3.35Å; V142-R144 PolarHBondContact O-N 2.81Å; V142-E145 PolarHBondContact O-N 3.21Å; V142-M146 HydrophobicContact CG1-CG 4.21Å; V142-M146 WeakPolarHBondContact O-CB 3.46Å; V142-M146 VanDerWaalsContact O-CG 3.24Å; V142-M146 WeakPolarHBondContact O-CG 3.43Å; V142-M146 PolarHBondContact O-N 2.81Å
143E95.2Very high90.9Very high133 Ų133124.3 Ų124.362%0.62160%0.598SS**Hα-helixtrans-62.7-40.4177.3-75.3178.9167.900112.1L139 E145 M146 S147L139-E143 WeakPolarHBondContact O-CB 3.48Å; L139-E143 WeakPolarHBondContact O-CG 3.33Å; L139-E143 PolarHBondContact O-N 2.85Å; E143-E145 VanDerWaalsContact C-N 3.34Å; E143-M146 PolarHBondContact O-N 2.83Å; E143-S147 WeakPolarHBondContact O-CB 3.35Å; E143-S147 PolarHBondContact O-N 3.38Å
144R93.8Very high91.1Very high162 Ų162124.1 Ų124.161%0.61160%0.601SS**Hα-helixtrans-64.5-38.3174.6-75.6173.6-167.417910.6112.2E140 E141 V142 R148E140-R144 WeakPolarHBondContact O-CB 3.28Å; E140-R144 WeakPolarHBondContact O-CG 3.37Å; E140-R144 PolarHBondContact O-N 2.83Å; E140-R144 IonicContact OE2-NH2 2.91Å; E141-R144 PolarHBondContact O-N 2.81Å; V142-R144 VanDerWaalsContact C-N 3.35Å; V142-R144 PolarHBondContact O-N 2.81Å; R144-R148 WeakPolarHBondContact O-CG 3.35Å; R144-R148 PolarHBondContact O-N 3.02Å
145E93.7Very high91.1Very high107 Ų107124.5 Ų124.550%0.560%0.603SS.*Hα-helixtrans-71.7-42.3177.8-166.771.1162.200111.5E141 V142 E143 S147 R148 L149E141-E145 PolarHBondContact O-N 2.8Å; V142-E145 PolarHBondContact O-N 3.21Å; E143-E145 VanDerWaalsContact C-N 3.34Å; E145-S147 VanDerWaalsContact C-N 3.27Å; E145-S147 PolarHBondContact O-N 3.17Å; E145-R148 WeakPolarHBondContact O-CB 3.5Å; E145-R148 PolarHBondContact O-N 2.96Å; E145-R148 VanDerWaalsContact O-N 3.09Å; E145-R148 IonicContact OE2-NH1 3.19Å; E145-R148 PolarHBondContact OE2-NH1 3.44Å; E145-L149 PolarHBondContact O-N 3.22Å
146M91.1Very high91Very high125 Ų125130.4 Ų130.462%0.61662%0.622SS**Hα-helixtrans-61.9-34.2174.1-71.5-68.6-62.900112.5V142 E143 R148V142-M146 HydrophobicContact CG1-CG 4.21Å; V142-M146 WeakPolarHBondContact O-CB 3.46Å; V142-M146 VanDerWaalsContact O-CG 3.24Å; V142-M146 WeakPolarHBondContact O-CG 3.43Å; V142-M146 PolarHBondContact O-N 2.81Å; E143-M146 PolarHBondContact O-N 2.83Å; M146-R148 VanDerWaalsContact C-N 3.28Å; M146-R148 PolarHBondContact O-N 3.09Å
147S87.3Confident90.9Very high103 Ų103131.5 Ų131.572%0.7263%0.629SS**THydrogen-bonded Turntrans-76-12.8176.3-176.20000113.9E143 E145E143-S147 WeakPolarHBondContact O-CB 3.35Å; E143-S147 PolarHBondContact O-N 3.38Å; E145-S147 VanDerWaalsContact C-N 3.27Å; E145-S147 PolarHBondContact O-N 3.17Å
148R83.1Confident90.7Very high201 Ų201130.6 Ų130.676%0.75863%0.63SS**THydrogen-bonded Turntrans-87.9-18.6175.2-76170.7177.6179.4-1.3112.9R144 E145 M146R144-R148 WeakPolarHBondContact O-CG 3.35Å; R144-R148 PolarHBondContact O-N 3.02Å; E145-R148 WeakPolarHBondContact O-CB 3.5Å; E145-R148 PolarHBondContact O-N 2.96Å; E145-R148 VanDerWaalsContact O-N 3.09Å; E145-R148 IonicContact OE2-NH1 3.19Å; E145-R148 PolarHBondContact OE2-NH1 3.44Å; M146-R148 VanDerWaalsContact C-N 3.28Å; M146-R148 PolarHBondContact O-N 3.09Å
149L70.7Confident90.3Very high194 Ų194131.3 Ų131.3100%1.01664%0.635SS**  trans-83.30174.8-63.5174.7000110.7E145E145-L149 PolarHBondContact O-N 3.22Å

Retrieved 149 of 149 residues in 127.3 ms (Link to these results)

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