A0A077Z686_TRITR Loading...

L-dopachrome isomerase

AlphaFold DB , UniProt , Accession A0A077Z686, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 189 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
1M29.9Very low54.4Low229 Ų229129.7 Ų129.7100%1.12869%0.687SS**  088.60-77.2-175.7-102.900108.8
2M33.8Very low55.6Low169 Ų169127.8 Ų127.883%0.83367%0.671SS**  trans-12966.1155.6-80.3-176.6-168.500104.5D4M2-D4 VanDerWaalsContact C-N 3.32Å; M2-D4 PolarHBondContact O-N 2.6Å
3N45.1Very low56.8Low144 Ų144129.3 Ų129.377%0.7768%0.68SS**  trans-87.77.1-170-87.813.3000113.9
4D51.4Low57.9Low142 Ų142128.5 Ų128.576%0.75967%0.671SS**  trans-114.638.5-167.4-58.4-21.4000113.6M2 L6M2-D4 VanDerWaalsContact C-N 3.32Å; M2-D4 PolarHBondContact O-N 2.6Å; D4-L6 PolarHBondContact O-N 3.4Å
5Q55.4Low59.4Low151 Ų151128.5 Ų128.571%0.70667%0.672SS**  trans-71.890.1155.2-80.4-170.2-4.900107.5V7Q5-V7 PolarHBondContact O-N 3.11Å
6L55.7Low60.9Low173 Ų173122.1 Ų122.191%0.90664%0.641SS**  trans-64.2104.8170.1-74.9165.4000108.1D4D4-L6 PolarHBondContact O-N 3.4Å
7V60.8Low62.1Low65 Ų65117.1 Ų117.139%0.39461%0.614SS.*  trans-105.8132.3170.5177.60000107.2Q5 C16 I18Q5-V7 PolarHBondContact O-N 3.11Å; V7-C16 PolarHBondContact O-SG 3.4Å; V7-I18 HydrophobicContact CB-CD1 4.47Å; V7-I18 HydrophobicContact CG1-CD1 3.26Å; V7-I18 HydrophobicContact CG1-CG1 3.64Å; V7-I18 HydrophobicContact CG2-CD1 4.37Å
8R62.4Low63.3Low143 Ų143116.2 Ų116.254%0.5461%0.609SS.*  trans-130.4131.5175.2-165.1-173.8-159.2-16314.7109.5G10 T11 E12 D13R8-G10 WeakPolarHBondContact CD-O 3.44Å; R8-T11 VanDerWaalsContact CZ-C 3.41Å; R8-T11 PolarHBondContact NH2-O 3.04Å; R8-E12 PolarHBondContact NE-O 3.09Å; R8-D13 IonicContact CZ-OD1 3.48Å; R8-D13 IonicContact NE-OD1 3.45Å; R8-D13 PolarHBondContact NE-OD1 3.09Å; R8-D13 IonicContact NH2-OD1 2.76Å; R8-D13 PolarHBondContact NH2-OD1 3.1Å
9V64.6Low64.4Low37 Ų37111.1 Ų111.122%0.22459%0.585CS.*  trans-115.5109.5170.7179.80000107.9C16 A55V9-C16 HydrophobicContact CB-CB 3.85Å; V9-C16 HydrophobicContact CG2-CB 3.77Å; V9-A55 HydrophobicContact CG2-CB 4.44Å
10G69Low65.5Low54 Ų54109.4 Ų109.456%0.55758%0.58SS**SBendtrans87.3-156.5-175.500000114R8R8-G10 WeakPolarHBondContact CD-O 3.44Å
11T70.5Confident66.5Low120 Ų120106.9 Ų106.974%0.73657%0.567SS**SBendtrans-108.42.6-170.753.90000114.4R8R8-T11 VanDerWaalsContact CZ-C 3.41Å; R8-T11 PolarHBondContact NH2-O 3.04Å
12E68.5Low69Low107 Ų10798.6 Ų98.650%0.553%0.531SS..SBendtrans-110.8160.3-177.7-67.7167.4159.400110.1R8 E14 R53R8-E12 PolarHBondContact NE-O 3.09Å; E12-E14 VanDerWaalsContact C-N 3.32Å; E12-E14 PolarHBondContact O-N 3.38Å; E12-R53 IonicContact OE2-CZ 3.35Å; E12-R53 IonicContact OE2-NH1 2.67Å; E12-R53 PolarHBondContact OE2-NH1 3.39Å; E12-R53 IonicContact OE2-NH2 3.66Å; E12-R53 PolarHBondContact OE2-NH2 3.18Å
13D71.2Confident71.3Confident147 Ų14792.7 Ų92.779%0.78651%0.506SS*.  trans-9933.5-172.9-62.9-18.8000112.3R8R8-D13 IonicContact CZ-OD1 3.48Å; R8-D13 IonicContact NE-OD1 3.45Å; R8-D13 PolarHBondContact NE-OD1 3.09Å; R8-D13 IonicContact NH2-OD1 2.76Å; R8-D13 PolarHBondContact NH2-OD1 3.1Å
14E72.6Confident73Confident118 Ų11893 Ų9355%0.55151%0.506SS*.SBendtrans-88.3160.9176.4-64.1-176.7178.400112.1E12 C16 R53E12-E14 VanDerWaalsContact C-N 3.32Å; E12-E14 PolarHBondContact O-N 3.38Å; E14-C16 PolarHBondContact O-N 3.28Å; E14-R53 IonicContact OE1-NH2 3.23Å; E14-R53 IonicContact OE2-CZ 3.41Å; E14-R53 IonicContact OE2-NE 3.25Å; E14-R53 PolarHBondContact OE2-NE 2.9Å; E14-R53 IonicContact OE2-NH2 3.27Å; E14-R53 PolarHBondContact OE2-NH2 3.45Å
15N80.2Confident74.2Confident128 Ų12888 Ų8868%0.68449%0.488SS*.  trans-58.3131.9176.6-68.4-24.9000110.8
16C82.6Confident75.5Confident27 Ų2787.3 Ų87.318%0.18248%0.483CS..  trans-130.4162175.563.90000111V7 V9 E14 R53V7-C16 PolarHBondContact O-SG 3.4Å; V9-C16 HydrophobicContact CB-CB 3.85Å; V9-C16 HydrophobicContact CG2-CB 3.77Å; E14-C16 PolarHBondContact O-N 3.28Å; C16-R53 WeakPolarHBondContact CA-O 3.39Å; C16-R53 HydrophobicContact CB-CB 4.36Å; C16-R53 WeakPolarHBondContact CB-O 3.48Å
17L82.2Confident76.7Confident36 Ų3679.5 Ų79.519%0.18844%0.442CS..EExtended strand (participates in β ladder)trans-129.1128.9177.4-176.564000110.2A19 F43 L47 I49 R53 L54 A55L17-A19 HydrophobicContact CG-CB 4.39Å; L17-F43 HydrophobicContact CD2-CB 4.11Å; L17-F43 HydrophobicContact CD2-CD1 3.43Å; L17-F43 VanDerWaalsContact CD2-CD1 3.43Å; L17-F43 HydrophobicContact CD2-CD2 3.56Å; L17-F43 HydrophobicContact CD2-CE1 3.59Å; L17-F43 HydrophobicContact CD2-CE2 3.71Å; L17-F43 HydrophobicContact CD2-CG 3.42Å; L17-F43 VanDerWaalsContact CD2-CG 3.42Å; L17-F43 HydrophobicContact CD2-CZ 3.73Å; L17-L47 HydrophobicContact CD2-CD1 4.18Å; L17-I49 HydrophobicContact CB-CD1 3.62Å; L17-I49 HydrophobicContact CB-CG2 4.32Å; L17-I49 HydrophobicContact CD2-CD1 4.48Å; L17-R53 PolarHBondContact N-O 2.91Å; L17-L54 HydrophobicContact CB-CD1 3.86Å; L17-L54 HydrophobicContact CD2-CD1 3.77Å; L17-L54 HydrophobicContact CG-CD1 3.86Å; L17-A55 PolarHBondContact O-N 2.64Å
18I83Confident77.7Confident101 Ų10177.1 Ų77.152%0.51843%0.43SS..EExtended strand (participates in β ladder)trans-102.7125.6160-63.6176.7000107.1V7 A55V7-I18 HydrophobicContact CB-CD1 4.47Å; V7-I18 HydrophobicContact CG1-CD1 3.26Å; V7-I18 HydrophobicContact CG1-CG1 3.64Å; V7-I18 HydrophobicContact CG2-CD1 4.37Å; I18-A55 WeakPolarHBondContact CA-O 3.37Å; I18-A55 HydrophobicContact CG1-CB 4.15Å
19A84.2Confident78.7Confident19 Ų1974.8 Ų74.816%0.15744%0.441CS..EExtended strand (participates in β ladder)trans-130.3147.7176.300000110.3L17 F43 L54 A55 L56 Q57L17-A19 HydrophobicContact CG-CB 4.39Å; A19-F43 HydrophobicContact CB-CE2 4.3Å; A19-F43 HydrophobicContact CB-CZ 4.41Å; A19-L54 HydrophobicContact CB-CD1 4.43Å; A19-A55 PolarHBondContact N-O 2.94Å; A19-L56 HydrophobicContact CB-CD1 3.95Å; A19-L56 WeakPolarHBondContact O-CA 3.45Å; A19-Q57 PolarHBondContact O-N 3.46Å
20T85.7Confident79.7Confident78 Ų7879.9 Ų79.948%0.47947%0.467SS..EExtended strand (participates in β ladder)trans-119.7122.9171.7-54.30000108.8Q57T20-Q57 CarbonylContact C-O 3.56Å; T20-Q57 WeakPolarHBondContact CA-O 3.34Å; T20-Q57 HydrophobicContact CG2-CB 4.31Å
21L86.6Confident80.6Confident57 Ų5780 Ų8030%0.29845%0.453SS..EExtended strand (participates in β ladder)trans-103.7119.5167.8-179.867.7000108.3I27 H35 L39 L56 Q57 L58 L59L21-I27 HydrophobicContact CD2-CD1 4.34Å; L21-I27 HydrophobicContact CG-CD1 4.03Å; L21-I27 WeakPolarHBondContact O-CD1 3.44Å; L21-H35 HydrophobicContact CD2-CB 4.26Å; L21-L39 HydrophobicContact CD2-CD1 4.13Å; L21-L56 HydrophobicContact CB-CD1 4.36Å; L21-Q57 PolarHBondContact N-O 2.79Å; L21-L58 HydrophobicContact CB-CD2 3.78Å; L21-L58 HydrophobicContact CD2-CD2 3.95Å; L21-L58 HydrophobicContact CG-CD2 4.36Å; L21-L59 PolarHBondContact O-N 3.03Å
22S83.1Confident81.5Confident54 Ų5476.6 Ų76.638%0.37843%0.43SS..EExtended strand (participates in β ladder)trans-118.9134.6176-59.20000109.8L59S22-L59 WeakPolarHBondContact CA-O 3.48Å
23S83.3Confident82.5Confident45 Ų4577 Ų7732%0.31543%0.432SS..EExtended strand (participates in β ladder)trans-151.4148.2178.6-1790000111.3G25 I27 L59 A61S23-G25 WeakPolarHBondContact CB-O 3.38Å; S23-G25 PolarHBondContact O-N 3.43Å; S23-G25 PolarHBondContact OG-O 2.9Å; S23-I27 VanDerWaalsContact N-CD1 3.32Å; S23-L59 PolarHBondContact N-O 2.67Å; S23-A61 PolarHBondContact O-N 3.49Å
24I80Confident83.5Confident151 Ų15174.4 Ų74.477%0.77442%0.415SS*.SBendtrans-81.7105.4166-60174000107A61I24-A61 HydrophobicContact CG1-CB 3.88Å
25G76Confident84.4Confident36 Ų3670.7 Ų70.737%0.37140%0.398SS..SBendtrans70.4173.8-172.500000113S23 I27S23-G25 WeakPolarHBondContact CB-O 3.38Å; S23-G25 PolarHBondContact O-N 3.43Å; S23-G25 PolarHBondContact OG-O 2.9Å; G25-I27 PolarHBondContact O-N 3.33Å
26K82.2Confident84.8Confident137 Ų13767.5 Ų67.560%0.59638%0.38SS*.SBendtrans58.112.4-175.7-60.8-66.9-174.5175.50115.1F31 H35K26-F31 HydrophobicContact CD-CD1 4.06Å; K26-F31 HydrophobicContact CD-CE1 3.6Å; K26-F31 HydrophobicContact CD-CE2 4.18Å; K26-F31 HydrophobicContact CD-CZ 3.67Å; K26-F31 VanDerWaalsContact O-CB 3.26Å; K26-F31 WeakPolarHBondContact O-CB 3.31Å; K26-H35 PolarHBondContact O-CD2 3.03Å; K26-H35 PolarHBondContact O-NE2 2.87Å
27I82.4Confident85.3Confident10 Ų1070.5 Ų70.55%0.05140%0.395CS..  trans-116.7136.1161.1-64.3175.9000106L21 S23 G25 N32 L58 L59 I60L21-I27 HydrophobicContact CD2-CD1 4.34Å; L21-I27 HydrophobicContact CG-CD1 4.03Å; L21-I27 WeakPolarHBondContact O-CD1 3.44Å; S23-I27 VanDerWaalsContact N-CD1 3.32Å; G25-I27 PolarHBondContact O-N 3.33Å; I27-N32 WeakPolarHBondContact CG2-OD1 3.38Å; I27-L58 HydrophobicContact CG2-CB 3.81Å; I27-L59 WeakPolarHBondContact CD1-O 3.33Å; I27-I60 HydrophobicContact CB-CG1 3.91Å; I27-I60 HydrophobicContact CG2-CG1 3.57Å; I27-I60 VanDerWaalsContact O-CD1 3.31Å; I27-I60 WeakPolarHBondContact O-CD1 3.31Å; I27-I60 WeakPolarHBondContact O-CG1 3.33Å
28G80.8Confident85.8Confident14 Ų1474.8 Ų74.814%0.14441%0.411CS..SBendtrans151.7169.3-170.700000111.2D30 F31 N32G28-D30 PolarHBondContact O-N 3.11Å; G28-F31 PolarHBondContact O-N 3.3Å; G28-N32 VanDerWaalsContact C-CG 3.49Å; G28-N32 PolarHBondContact N-OD1 2.93Å; G28-N32 WeakPolarHBondContact O-CB 3.26Å; G28-N32 PolarHBondContact O-N 2.88Å; G28-N32 PolarHBondContact O-OD1 2.85Å
29A83.2Confident86.3Confident94 Ų9471.9 Ų71.978%0.77740%0.397SS*.Hα-helixtrans-48.2-40-174.600000113.3F31A29-F31 VanDerWaalsContact C-N 3.3Å; A29-F31 PolarHBondContact O-N 3.18Å
30D87Confident86.6Confident144 Ų14471.8 Ų71.877%0.7740%0.395SS*.Hα-helixtrans-69-21.2-178.8-55.7-26.1000114.6G28G28-D30 PolarHBondContact O-N 3.11Å
31F88.3Confident86.9Confident56 Ų5670.8 Ų70.825%0.24640%0.395CS..Hα-helixtrans-117.8-22.4-173.8-52.1-75.2000113.3K26 G28 A29 Q33 E34 H35K26-F31 HydrophobicContact CD-CD1 4.06Å; K26-F31 HydrophobicContact CD-CE1 3.6Å; K26-F31 HydrophobicContact CD-CE2 4.18Å; K26-F31 HydrophobicContact CD-CZ 3.67Å; K26-F31 VanDerWaalsContact O-CB 3.26Å; K26-F31 WeakPolarHBondContact O-CB 3.31Å; G28-F31 PolarHBondContact O-N 3.3Å; A29-F31 VanDerWaalsContact C-N 3.3Å; A29-F31 PolarHBondContact O-N 3.18Å; F31-Q33 VanDerWaalsContact C-N 3.33Å; F31-Q33 PolarHBondContact O-N 2.99Å; F31-E34 PolarHBondContact O-N 3.2Å; F31-H35 WeakPolarHBondContact CB-NE2 3.31Å; F31-H35 PolarHBondContact O-CD2 3Å; F31-H35 PolarHBondContact O-N 2.91Å
32N88.6Confident87.3Confident49 Ų4973.3 Ų73.326%0.26240%0.403SS..Hα-helixtrans-59.8-41.1-169-76.9-0.6000112.7I27 G28 H35 L36 L58I27-N32 WeakPolarHBondContact CG2-OD1 3.38Å; G28-N32 VanDerWaalsContact C-CG 3.49Å; G28-N32 PolarHBondContact N-OD1 2.93Å; G28-N32 WeakPolarHBondContact O-CB 3.26Å; G28-N32 PolarHBondContact O-N 2.88Å; G28-N32 PolarHBondContact O-OD1 2.85Å; N32-H35 PolarHBondContact O-N 2.95Å; N32-L36 WeakPolarHBondContact O-CB 3.42Å; N32-L36 PolarHBondContact O-N 3.35Å; N32-L58 HydrophobicContact CB-CD1 3.58Å; N32-L58 WeakPolarHBondContact OD1-CD1 3.01Å
33Q89Confident87.7Confident115 Ų11572.3 Ų72.354%0.53739%0.392SS..Hα-helixtrans-65.5-45178.4-170.161.850.800111.4F31 H35 L36 D37F31-Q33 VanDerWaalsContact C-N 3.33Å; F31-Q33 PolarHBondContact O-N 2.99Å; Q33-H35 VanDerWaalsContact C-N 3.31Å; Q33-H35 PolarHBondContact O-N 3.38Å; Q33-L36 WeakPolarHBondContact O-CB 3.09Å; Q33-L36 PolarHBondContact O-N 3.25Å; Q33-D37 PolarHBondContact NE2-OD1 3.36Å; Q33-D37 PolarHBondContact O-N 2.89Å
34E92.1Very high88.1Confident93 Ų9375 Ų7544%0.43540%0.4SS..Hα-helixtrans-59.8-42.3177.4-172.5-168154.500111.7F31 K38F31-E34 PolarHBondContact O-N 3.2Å; E34-K38 HydrophobicContact CG-CD 4.3Å; E34-K38 WeakPolarHBondContact O-CB 3.42Å; E34-K38 WeakPolarHBondContact O-CG 3.33Å; E34-K38 PolarHBondContact O-N 3.47Å; E34-K38 VanDerWaalsContact O-N 3.11Å; E34-K38 WeakPolarHBondContact OE1-CE 3.33Å; E34-K38 IonicContact OE1-NZ 2.6Å; E34-K38 PolarHBondContact OE1-NZ 3.49Å
35H91.1Very high88.7Confident41 Ų4176 Ų7619%0.1940%0.398CS..Hα-helixtrans-65.7-42.8176.1-67-43.4000112.3L21 K26 F31 N32 Q33 K38 L39L21-H35 HydrophobicContact CD2-CB 4.26Å; K26-H35 PolarHBondContact O-CD2 3.03Å; K26-H35 PolarHBondContact O-NE2 2.87Å; F31-H35 WeakPolarHBondContact CB-NE2 3.31Å; F31-H35 PolarHBondContact O-CD2 3Å; F31-H35 PolarHBondContact O-N 2.91Å; N32-H35 PolarHBondContact O-N 2.95Å; Q33-H35 VanDerWaalsContact C-N 3.31Å; Q33-H35 PolarHBondContact O-N 3.38Å; H35-K38 PolarHBondContact O-N 3.43Å; H35-L39 WeakPolarHBondContact O-CB 3.33Å; H35-L39 WeakPolarHBondContact O-CG 3.33Å; H35-L39 PolarHBondContact O-N 3.29Å
36L89.8Confident89.5Confident61 Ų6179.6 Ų79.632%0.31941%0.406SS..Hα-helixtrans-59.5-50.3177.2-178.963.3000110.2N32 Q33 K38 L39 C40 L56N32-L36 WeakPolarHBondContact O-CB 3.42Å; N32-L36 PolarHBondContact O-N 3.35Å; Q33-L36 WeakPolarHBondContact O-CB 3.09Å; Q33-L36 PolarHBondContact O-N 3.25Å; L36-K38 PolarHBondContact O-N 3.5Å; L36-L39 PolarHBondContact O-N 2.84Å; L36-C40 VanDerWaalsContact O-CB 3.27Å; L36-C40 WeakPolarHBondContact O-CB 3.42Å; L36-C40 PolarHBondContact O-N 3.24Å; L36-C40 PolarHBondContact O-SG 2.83Å; L36-L56 HydrophobicContact CD1-CB 4.39Å; L36-L56 HydrophobicContact CD1-CD2 3.94Å
37D92Very high89.9Confident90 Ų9077.3 Ų77.348%0.48140%0.4SS..Hα-helixtrans-59.4-46-179.1-65.1-15.7000111.5Q33 A41Q33-D37 PolarHBondContact NE2-OD1 3.36Å; Q33-D37 PolarHBondContact O-N 2.89Å; D37-A41 WeakPolarHBondContact O-CB 3.48Å; D37-A41 PolarHBondContact O-N 3.26Å
38K93.5Very high90.3Very high125 Ų12583.7 Ų83.754%0.54343%0.434SS..Hα-helixtrans-64.4-43.4178.7-75.1174.5175.4175.90112.6E34 H35 L36 F42E34-K38 HydrophobicContact CG-CD 4.3Å; E34-K38 WeakPolarHBondContact O-CB 3.42Å; E34-K38 WeakPolarHBondContact O-CG 3.33Å; E34-K38 PolarHBondContact O-N 3.47Å; E34-K38 VanDerWaalsContact O-N 3.11Å; E34-K38 WeakPolarHBondContact OE1-CE 3.33Å; E34-K38 IonicContact OE1-NZ 2.6Å; E34-K38 PolarHBondContact OE1-NZ 3.49Å; H35-K38 PolarHBondContact O-N 3.43Å; L36-K38 PolarHBondContact O-N 3.5Å; K38-F42 WeakPolarHBondContact O-CB 3.49Å; K38-F42 PolarHBondContact O-N 2.84Å
39L92.5Very high90.6Very high41 Ų4183.7 Ų83.722%0.21543%0.43CS..Hα-helixtrans-72.2-41.3-179.2-74.4170.7000111.8L21 H35 L36 A41 F42 F43 L56L21-L39 HydrophobicContact CD2-CD1 4.13Å; H35-L39 WeakPolarHBondContact O-CB 3.33Å; H35-L39 WeakPolarHBondContact O-CG 3.33Å; H35-L39 PolarHBondContact O-N 3.29Å; L36-L39 PolarHBondContact O-N 2.84Å; L39-A41 PolarHBondContact O-N 2.9Å; L39-F42 PolarHBondContact O-N 3.47Å; L39-F43 HydrophobicContact CB-CD2 4.27Å; L39-F43 HydrophobicContact CB-CE2 4.09Å; L39-F43 HydrophobicContact CD2-CE2 4Å; L39-F43 HydrophobicContact CD2-CZ 4.34Å; L39-F43 WeakPolarHBondContact O-CD2 3.26Å; L39-F43 WeakPolarHBondContact O-CG 3.27Å; L39-F43 PolarHBondContact O-N 2.84Å; L39-L56 HydrophobicContact CB-CD2 4.47Å; L39-L56 HydrophobicContact CD1-CD1 3.93Å; L39-L56 HydrophobicContact CD1-CD2 3.61Å; L39-L56 HydrophobicContact CD1-CG 4.45Å
40C91Very high90.7Very high17 Ų1780.5 Ų80.512%0.11540%0.402CS..Hα-helixtrans-55.2-52.3172.1-75.80000110.7L36 F42 F43 Q44 P51L36-C40 VanDerWaalsContact O-CB 3.27Å; L36-C40 WeakPolarHBondContact O-CB 3.42Å; L36-C40 PolarHBondContact O-N 3.24Å; L36-C40 PolarHBondContact O-SG 2.83Å; C40-F42 VanDerWaalsContact C-N 3.31Å; C40-F42 PolarHBondContact O-N 3.1Å; C40-F43 PolarHBondContact O-N 3.07Å; C40-Q44 VanDerWaalsContact O-CB 3.26Å; C40-Q44 WeakPolarHBondContact O-CB 3.41Å; C40-Q44 PolarHBondContact O-N 2.81Å; C40-P51 HydrophobicContact CB-CB 4.43Å; C40-P51 HydrophobicContact CB-CG 4.35Å
41A92.9Very high90.6Very high57 Ų5776.4 Ų76.447%0.47138%0.384SS..Hα-helixtrans-60.9-39.9178.800000112.4D37 L39 K45D37-A41 WeakPolarHBondContact O-CB 3.48Å; D37-A41 PolarHBondContact O-N 3.26Å; L39-A41 PolarHBondContact O-N 2.9Å; A41-K45 VanDerWaalsContact O-CB 3.31Å; A41-K45 WeakPolarHBondContact O-CB 3.22Å; A41-K45 PolarHBondContact O-N 2.88Å; A41-K45 VanDerWaalsContact O-N 3.09Å
42F94Very high90.4Very high109 Ų10980.4 Ų80.448%0.47840%0.403SS..Hα-helixtrans-64.1-50.9176.8176.9-96.3000112.1K38 L39 C40 K45 Q46K38-F42 WeakPolarHBondContact O-CB 3.49Å; K38-F42 PolarHBondContact O-N 2.84Å; L39-F42 PolarHBondContact O-N 3.47Å; C40-F42 VanDerWaalsContact C-N 3.31Å; C40-F42 PolarHBondContact O-N 3.1Å; F42-K45 PolarHBondContact O-N 3.31Å; F42-Q46 HydrophobicContact CD1-CG 4.46Å; F42-Q46 HydrophobicContact CD2-CG 4.03Å; F42-Q46 HydrophobicContact CE1-CG 4.15Å; F42-Q46 HydrophobicContact CE2-CG 3.7Å; F42-Q46 HydrophobicContact CG-CG 4.4Å; F42-Q46 HydrophobicContact CZ-CG 3.77Å; F42-Q46 WeakPolarHBondContact O-CB 3.22Å; F42-Q46 VanDerWaalsContact O-CG 3.31Å; F42-Q46 WeakPolarHBondContact O-CG 3.3Å; F42-Q46 PolarHBondContact O-N 3.06Å
43F92.2Very high90.1Very high34 Ų3479 Ų7915%0.14939%0.394CS..Hα-helixtrans-70.7-34.7-177.9-68.1-52.9000112.7L17 A19 L39 C40 K45 Q46 L47 N48 L54L17-F43 HydrophobicContact CD2-CB 4.11Å; L17-F43 HydrophobicContact CD2-CD1 3.43Å; L17-F43 VanDerWaalsContact CD2-CD1 3.43Å; L17-F43 HydrophobicContact CD2-CD2 3.56Å; L17-F43 HydrophobicContact CD2-CE1 3.59Å; L17-F43 HydrophobicContact CD2-CE2 3.71Å; L17-F43 HydrophobicContact CD2-CG 3.42Å; L17-F43 VanDerWaalsContact CD2-CG 3.42Å; L17-F43 HydrophobicContact CD2-CZ 3.73Å; A19-F43 HydrophobicContact CB-CE2 4.3Å; A19-F43 HydrophobicContact CB-CZ 4.41Å; L39-F43 HydrophobicContact CB-CD2 4.27Å; L39-F43 HydrophobicContact CB-CE2 4.09Å; L39-F43 HydrophobicContact CD2-CE2 4Å; L39-F43 HydrophobicContact CD2-CZ 4.34Å; L39-F43 WeakPolarHBondContact O-CD2 3.26Å; L39-F43 WeakPolarHBondContact O-CG 3.27Å; L39-F43 PolarHBondContact O-N 2.84Å; C40-F43 PolarHBondContact O-N 3.07Å; F43-K45 VanDerWaalsContact C-N 3.31Å; F43-K45 PolarHBondContact O-N 3.18Å; F43-Q46 PolarHBondContact O-N 3.06Å; F43-L47 HydrophobicContact CD1-CD1 3.78Å; F43-L47 HydrophobicContact CD1-CG 4.47Å; F43-L47 HydrophobicContact CE1-CD1 4.4Å; F43-L47 WeakPolarHBondContact O-CA 3.45Å; F43-L47 WeakPolarHBondContact O-CB 3.46Å; F43-L47 PolarHBondContact O-N 2.88Å; F43-N48 PolarHBondContact O-N 3.24Å; F43-L54 HydrophobicContact CD2-CD1 4.12Å; F43-L54 HydrophobicContact CD2-CD2 4.04Å; F43-L54 HydrophobicContact CE2-CD1 4.41Å
44Q90.8Very high89.9Confident101 Ų10174.6 Ų74.647%0.47237%0.374SS..Hα-helixtrans-59.9-44.9170.8-170.8174.722.200110.8C40 N48 I49C40-Q44 VanDerWaalsContact O-CB 3.26Å; C40-Q44 WeakPolarHBondContact O-CB 3.41Å; C40-Q44 PolarHBondContact O-N 2.81Å; Q44-N48 VanDerWaalsContact O-CA 3.22Å; Q44-N48 WeakPolarHBondContact O-CA 3.27Å; Q44-N48 PolarHBondContact O-N 2.87Å; Q44-N48 VanDerWaalsContact O-N 3.1Å; Q44-I49 VanDerWaalsContact CA-O 3.22Å; Q44-I49 WeakPolarHBondContact CA-O 3.35Å; Q44-I49 WeakPolarHBondContact CB-O 3.21Å
45K94.1Very high89.4Confident171 Ų17172.1 Ų72.174%0.74337%0.369SS*.Hα-helixtrans-68-42.7178.7-178.3178.1177.4179.30113.5A41 F42 F43A41-K45 VanDerWaalsContact O-CB 3.31Å; A41-K45 WeakPolarHBondContact O-CB 3.22Å; A41-K45 PolarHBondContact O-N 2.88Å; A41-K45 VanDerWaalsContact O-N 3.09Å; F42-K45 PolarHBondContact O-N 3.31Å; F43-K45 VanDerWaalsContact C-N 3.31Å; F43-K45 PolarHBondContact O-N 3.18Å
46Q92.5Very high89Confident112 Ų11271.9 Ų71.952%0.52337%0.369SS..Hα-helixtrans-90.6-31.5-170.6-63.8-60.3-36.600113.6F42 F43F42-Q46 HydrophobicContact CD1-CG 4.46Å; F42-Q46 HydrophobicContact CD2-CG 4.03Å; F42-Q46 HydrophobicContact CE1-CG 4.15Å; F42-Q46 HydrophobicContact CE2-CG 3.7Å; F42-Q46 HydrophobicContact CG-CG 4.4Å; F42-Q46 HydrophobicContact CZ-CG 3.77Å; F42-Q46 WeakPolarHBondContact O-CB 3.22Å; F42-Q46 VanDerWaalsContact O-CG 3.31Å; F42-Q46 WeakPolarHBondContact O-CG 3.3Å; F42-Q46 PolarHBondContact O-N 3.06Å; F43-Q46 PolarHBondContact O-N 3.06Å
47L90.6Very high88.7Confident90 Ų9074.7 Ų74.747%0.47138%0.381SS..Hα-helixtrans-121.7-3.1-172.7-56.5179.6000113.3L17 F43 I49L17-L47 HydrophobicContact CD2-CD1 4.18Å; F43-L47 HydrophobicContact CD1-CD1 3.78Å; F43-L47 HydrophobicContact CD1-CG 4.47Å; F43-L47 HydrophobicContact CE1-CD1 4.4Å; F43-L47 WeakPolarHBondContact O-CA 3.45Å; F43-L47 WeakPolarHBondContact O-CB 3.46Å; F43-L47 PolarHBondContact O-N 2.88Å; L47-I49 VanDerWaalsContact C-N 3.27Å; L47-I49 HydrophobicContact CB-CD1 3.87Å; L47-I49 HydrophobicContact CB-CG1 3.9Å; L47-I49 HydrophobicContact CD1-CD1 4.15Å; L47-I49 PolarHBondContact O-N 3.29Å
48N91.1Very high88.1Confident143 Ų14372.5 Ų72.577%0.76537%0.369SS*.  trans5640-175.3-165.550.4000113.1F43 Q44F43-N48 PolarHBondContact O-N 3.24Å; Q44-N48 VanDerWaalsContact O-CA 3.22Å; Q44-N48 WeakPolarHBondContact O-CA 3.27Å; Q44-N48 PolarHBondContact O-N 2.87Å; Q44-N48 VanDerWaalsContact O-N 3.1Å
49I87Confident87.2Confident14 Ų1469.4 Ų69.47%0.07236%0.358CS..  trans-103124.5177.8-61.5180000108.6L17 Q44 L47 R53L17-I49 HydrophobicContact CB-CD1 3.62Å; L17-I49 HydrophobicContact CB-CG2 4.32Å; L17-I49 HydrophobicContact CD2-CD1 4.48Å; Q44-I49 VanDerWaalsContact CA-O 3.22Å; Q44-I49 WeakPolarHBondContact CA-O 3.35Å; Q44-I49 WeakPolarHBondContact CB-O 3.21Å; L47-I49 VanDerWaalsContact C-N 3.27Å; L47-I49 HydrophobicContact CB-CD1 3.87Å; L47-I49 HydrophobicContact CB-CG1 3.9Å; L47-I49 HydrophobicContact CD1-CD1 4.15Å; L47-I49 PolarHBondContact O-N 3.29Å; I49-R53 HydrophobicContact CG2-CB 3.84Å
50S85Confident86.4Confident27 Ų2771 Ų7119%0.18937%0.366CS..  trans-74.5151.8178.161.70000111.8E52 R53S50-E52 VanDerWaalsContact CB-CD 3.42Å; S50-E52 WeakPolarHBondContact CB-OE1 3.42Å; S50-E52 WeakPolarHBondContact CB-OE2 3.4Å; S50-E52 PolarHBondContact O-N 3.39Å; S50-E52 PolarHBondContact OG-OE1 3.05Å; S50-R53 WeakPolarHBondContact O-CB 3.44Å; S50-R53 PolarHBondContact O-N 2.91Å; S50-R53 WeakPolarHBondContact OG-CG 3.37Å
51P84.4Confident85.3Confident59 Ų5972 Ų7238%0.38338%0.376SS..G310 helixtrans-54.1-36.3-176.6-28.536.5000114.7C40 R53 L54C40-P51 HydrophobicContact CB-CB 4.43Å; C40-P51 HydrophobicContact CB-CG 4.35Å; P51-R53 PolarHBondContact O-N 3.35Å; P51-L54 PolarHBondContact O-N 3.27Å; P51-L54 VanDerWaalsContact O-N 3.17Å
52E84.7Confident83.8Confident140 Ų14073 Ų7365%0.65438%0.379SS*.G310 helixtrans-69.5-13.6177.864.9-80.4-178.400114.1S50S50-E52 VanDerWaalsContact CB-CD 3.42Å; S50-E52 WeakPolarHBondContact CB-OE1 3.42Å; S50-E52 WeakPolarHBondContact CB-OE2 3.4Å; S50-E52 PolarHBondContact O-N 3.39Å; S50-E52 PolarHBondContact OG-OE1 3.05Å
53R82.9Confident81.5Confident19 Ų1976.1 Ų76.17%0.07240%0.401CS..G310 helixtrans-100.23.4175-63.4-69.9-155.8-141.5-8.3113.1E12 E14 C16 L17 I49 S50 P51E12-R53 IonicContact OE2-CZ 3.35Å; E12-R53 IonicContact OE2-NH1 2.67Å; E12-R53 PolarHBondContact OE2-NH1 3.39Å; E12-R53 IonicContact OE2-NH2 3.66Å; E12-R53 PolarHBondContact OE2-NH2 3.18Å; E14-R53 IonicContact OE1-NH2 3.23Å; E14-R53 IonicContact OE2-CZ 3.41Å; E14-R53 IonicContact OE2-NE 3.25Å; E14-R53 PolarHBondContact OE2-NE 2.9Å; E14-R53 IonicContact OE2-NH2 3.27Å; E14-R53 PolarHBondContact OE2-NH2 3.45Å; C16-R53 WeakPolarHBondContact CA-O 3.39Å; C16-R53 HydrophobicContact CB-CB 4.36Å; C16-R53 WeakPolarHBondContact CB-O 3.48Å; L17-R53 PolarHBondContact N-O 2.91Å; I49-R53 HydrophobicContact CG2-CB 3.84Å; S50-R53 WeakPolarHBondContact O-CB 3.44Å; S50-R53 PolarHBondContact O-N 2.91Å; S50-R53 WeakPolarHBondContact OG-CG 3.37Å; P51-R53 PolarHBondContact O-N 3.35Å
54L83.3Confident79.4Confident23 Ų2379.2 Ų79.212%0.1243%0.427CS..EExtended strand (participates in β ladder)trans-99.8118.9176.4178.462.6000110.7L17 A19 F43 P51 L56L17-L54 HydrophobicContact CB-CD1 3.86Å; L17-L54 HydrophobicContact CD2-CD1 3.77Å; L17-L54 HydrophobicContact CG-CD1 3.86Å; A19-L54 HydrophobicContact CB-CD1 4.43Å; F43-L54 HydrophobicContact CD2-CD1 4.12Å; F43-L54 HydrophobicContact CD2-CD2 4.04Å; F43-L54 HydrophobicContact CE2-CD1 4.41Å; P51-L54 PolarHBondContact O-N 3.27Å; P51-L54 VanDerWaalsContact O-N 3.17Å; L54-L56 HydrophobicContact CG-CB 4.38Å
55A82.5Confident76.9Confident40 Ų4083.5 Ų83.533%0.33144%0.444SS..EExtended strand (participates in β ladder)trans-101.6107.1164.500000109.2V9 L17 I18 A19V9-A55 HydrophobicContact CG2-CB 4.44Å; L17-A55 PolarHBondContact O-N 2.64Å; I18-A55 WeakPolarHBondContact CA-O 3.37Å; I18-A55 HydrophobicContact CG1-CB 4.15Å; A19-A55 PolarHBondContact N-O 2.94Å
56L82.5Confident74.3Confident36 Ų3679.6 Ų79.619%0.18843%0.428CS..EExtended strand (participates in β ladder)trans-105.1115.8-179.8-178.663.6000110.8A19 L21 L36 L39 L54 L58A19-L56 HydrophobicContact CB-CD1 3.95Å; A19-L56 WeakPolarHBondContact O-CA 3.45Å; L21-L56 HydrophobicContact CB-CD1 4.36Å; L36-L56 HydrophobicContact CD1-CB 4.39Å; L36-L56 HydrophobicContact CD1-CD2 3.94Å; L39-L56 HydrophobicContact CB-CD2 4.47Å; L39-L56 HydrophobicContact CD1-CD1 3.93Å; L39-L56 HydrophobicContact CD1-CD2 3.61Å; L39-L56 HydrophobicContact CD1-CG 4.45Å; L54-L56 HydrophobicContact CG-CB 4.38Å; L56-L58 HydrophobicContact CD1-CD2 4.32Å; L56-L58 HydrophobicContact CD2-CD2 3.74Å; L56-L58 HydrophobicContact CD2-CG 4.28Å; L56-L58 HydrophobicContact CG-CD2 3.82Å; L56-L58 HydrophobicContact CG-CG 4.22Å
57Q83.2Confident71.5Confident120 Ų12082.5 Ų82.556%0.56144%0.44SS*.EExtended strand (participates in β ladder)trans-90.5118.1170-169.1177.228.900110A19 T20 L21A19-Q57 PolarHBondContact O-N 3.46Å; T20-Q57 CarbonylContact C-O 3.56Å; T20-Q57 WeakPolarHBondContact CA-O 3.34Å; T20-Q57 HydrophobicContact CG2-CB 4.31Å; L21-Q57 PolarHBondContact N-O 2.79Å
58L79.3Confident68.9Low45 Ų4587.3 Ų87.324%0.23646%0.457CS..EExtended strand (participates in β ladder)trans-99.6112.4175.4-63.4-178000109.6L21 I27 N32 L56L21-L58 HydrophobicContact CB-CD2 3.78Å; L21-L58 HydrophobicContact CD2-CD2 3.95Å; L21-L58 HydrophobicContact CG-CD2 4.36Å; I27-L58 HydrophobicContact CG2-CB 3.81Å; N32-L58 HydrophobicContact CB-CD1 3.58Å; N32-L58 WeakPolarHBondContact OD1-CD1 3.01Å; L56-L58 HydrophobicContact CD1-CD2 4.32Å; L56-L58 HydrophobicContact CD2-CD2 3.74Å; L56-L58 HydrophobicContact CD2-CG 4.28Å; L56-L58 HydrophobicContact CG-CD2 3.82Å; L56-L58 HydrophobicContact CG-CG 4.22Å
59L75.4Confident66.3Low59 Ų5987.1 Ų87.131%0.30945%0.451SS..EExtended strand (participates in β ladder)trans-110.1112.6-177.5-173.171000110.8L21 S22 S23 I27 A61L21-L59 PolarHBondContact O-N 3.03Å; S22-L59 WeakPolarHBondContact CA-O 3.48Å; S23-L59 PolarHBondContact N-O 2.67Å; I27-L59 WeakPolarHBondContact CD1-O 3.33Å; L59-A61 PolarHBondContact O-N 2.88Å
60I75.2Confident63.8Low76 Ų7692.7 Ų92.739%0.3949%0.488SS..EExtended strand (participates in β ladder)trans-77.2113.4171.2-50.4176.3000108.2I27 S62I27-I60 HydrophobicContact CB-CG1 3.91Å; I27-I60 HydrophobicContact CG2-CG1 3.57Å; I27-I60 VanDerWaalsContact O-CD1 3.31Å; I27-I60 WeakPolarHBondContact O-CD1 3.31Å; I27-I60 WeakPolarHBondContact O-CG1 3.33Å; I60-S62 PolarHBondContact O-N 2.71Å
61A67.1Low61.6Low38 Ų3898.1 Ų98.131%0.31451%0.514SS..  trans-76.273.9166.300000108.7S23 I24 L59S23-A61 PolarHBondContact O-N 3.49Å; I24-A61 HydrophobicContact CG1-CB 3.88Å; L59-A61 PolarHBondContact O-N 2.88Å
62S62.2Low59.9Low77 Ų77104.1 Ų104.154%0.53854%0.536SS..  trans-104.1149.5174.764.40000110.9I60 S64I60-S62 PolarHBondContact O-N 2.71Å; S62-S64 VanDerWaalsContact C-N 3.3Å; S62-S64 PolarHBondContact O-N 3.31Å
63N46.6Very low58.1Low175 Ų175102.5 Ų102.594%0.93653%0.531SS*.  trans-71.686.9171.3-71.9-29.3000108.7
64S47.8Very low57Low99 Ų99103.9 Ų103.969%0.69254%0.543SS*.PPolyproline II helixtrans-71131.5170.9450000110.4S62S62-S64 VanDerWaalsContact C-N 3.3Å; S62-S64 PolarHBondContact O-N 3.31Å
65F36.7Very low56.3Low190 Ų190107.3 Ų107.383%0.83356%0.557SS**PPolyproline II helixtrans-58.5126.6-177.4-165.9-99.7000111.7
66Q40.4Very low56.5Low89 Ų89106.1 Ų106.142%0.41655%0.545SS..PPolyproline II helixtrans-82.8122.1176.6-70.7-162.4-43.400111.4V143 D176Q66-V143 PolarHBondContact NE2-O 3.04Å; Q66-D176 PolarHBondContact NE2-OD2 3.09Å
67F33.8Very low57Low174 Ų174104.4 Ų104.476%0.76354%0.536SS*.PPolyproline II helixtrans-76.8118.9163.6-124.5-96.2000108.9H69F67-H69 PolarHBondContact O-N 3.1Å
68K35.5Very low57.6Low190 Ų190101.4 Ų101.483%0.82652%0.523SS*.  trans-89.595.8174.2-72.7-177.4179177.90109.6
69H37Very low58.5Low140 Ų14099.2 Ų99.265%0.64851%0.512SS*.  trans-115.6130.1154.1-90.5-49000109.4F67 I71F67-H69 PolarHBondContact O-N 3.1Å; H69-I71 HydrophobicContact CB-CD1 4.31Å; H69-I71 HydrophobicContact CB-CG1 4.35Å; H69-I71 PolarHBondContact O-N 3.1Å
70P34.6Very low59.5Low131 Ų13198 Ų9885%0.85151%0.506SS*.  trans-78.490.7174.931.3-28.8000108.4
71I39.4Very low60.6Low141 Ų14194.3 Ų94.372%0.72349%0.488SS*.  trans-124.1138.2170.9-57.8174.3000107.3H69 L73H69-I71 HydrophobicContact CB-CD1 4.31Å; H69-I71 HydrophobicContact CB-CG1 4.35Å; H69-I71 PolarHBondContact O-N 3.1Å; I71-L73 PolarHBondContact O-N 3.28Å
72Q47.3Very low62.1Low185 Ų18593.6 Ų93.686%0.86448%0.481SS*.  trans-42.6128.3-174.4-67.5173.6-5.600112.6P74Q72-P74 VanDerWaalsContact O-CD 3.3Å; Q72-P74 WeakPolarHBondContact O-CD 3.19Å
73L48Very low63.8Low105 Ų10590 Ų9055%0.5546%0.455SS..  trans-54.7113.7-169.9-72.5162.6000112.5I71I71-L73 PolarHBondContact O-N 3.28Å
74P59.3Low66.2Low49 Ų4983 Ų8332%0.31842%0.418SS..  trans-69.9143.6177.1-9.322.7000111.5Q72 M76 K108 L140Q72-P74 VanDerWaalsContact O-CD 3.3Å; Q72-P74 WeakPolarHBondContact O-CD 3.19Å; P74-M76 PolarHBondContact O-N 2.86Å; P74-K108 WeakPolarHBondContact O-CE 3.45Å; P74-K108 PolarHBondContact O-NZ 3.08Å; P74-L140 HydrophobicContact CB-CB 3.63Å; P74-L140 HydrophobicContact CB-CD1 3.55Å; P74-L140 HydrophobicContact CB-CG 4.2Å; P74-L140 HydrophobicContact CG-CB 3.96Å; P74-L140 HydrophobicContact CG-CD1 4.48Å
75K69.2Low68.6Low94 Ų9478.8 Ų78.841%0.40939%0.388SS..  trans-97.868.7-158.5-50177-170.2171.70111.2Y112K75-Y112 HydrophobicContact CB-CD1 3.56Å; K75-Y112 HydrophobicContact CB-CD2 3.53Å; K75-Y112 HydrophobicContact CB-CE1 3.7Å; K75-Y112 HydrophobicContact CB-CE2 3.73Å; K75-Y112 HydrophobicContact CB-CG 3.42Å; K75-Y112 VanDerWaalsContact CB-CG 3.42Å; K75-Y112 HydrophobicContact CD-CD2 3.78Å; K75-Y112 HydrophobicContact CD-CE1 4.05Å; K75-Y112 HydrophobicContact CD-CE2 3.15Å; K75-Y112 HydrophobicContact CD-CG 4.44Å; K75-Y112 WeakPolarHBondContact CD-OH 3.34Å; K75-Y112 HydrophobicContact CG-CD2 4.22Å; K75-Y112 HydrophobicContact CG-CE2 4.06Å; K75-Y112 PolarHBondContact NZ-OH 3.49Å; K75-Y112 WeakPolarHBondContact O-CB 3.12Å; K75-Y112 WeakPolarHBondContact O-CD1 3.36Å
76M85.7Confident71.5Confident16 Ų1672.1 Ų72.18%0.07936%0.364CS..  trans-155.2106.5174.2-168.7-73.8-7500110.2P74 I78 S139 L140 V182 F189P74-M76 PolarHBondContact O-N 2.86Å; M76-I78 HydrophobicContact CE-CD1 4.16Å; M76-I78 HydrophobicContact SD-CB 4.25Å; M76-I78 HydrophobicContact SD-CD1 3.5Å; M76-I78 VanDerWaalsContact SD-CD1 3.5Å; M76-I78 HydrophobicContact SD-CG1 3.5Å; M76-I78 WeakPolarHBondContact SD-CG1 3.43Å; M76-S139 WeakPolarHBondContact O-CA 3.24Å; M76-S139 PolarHBondContact O-OG 2.86Å; M76-L140 HydrophobicContact CB-CD1 4.03Å; M76-L140 HydrophobicContact CB-CG 4.36Å; M76-L140 HydrophobicContact CE-CG 4.45Å; M76-L140 PolarHBondContact O-N 3.01Å; M76-V182 HydrophobicContact CE-CB 4Å; M76-V182 HydrophobicContact CE-CG1 3.28Å; M76-V182 HydrophobicContact CE-CG2 3.46Å; M76-V182 VanDerWaalsContact CE-CG2 3.46Å; M76-V182 HydrophobicContact CG-CG1 4.09Å; M76-V182 HydrophobicContact SD-CG1 4.39Å; M76-F189 HydrophobicContact CB-CD2 4.46Å; M76-F189 HydrophobicContact CB-CE1 4.49Å; M76-F189 HydrophobicContact CB-CE2 3.65Å; M76-F189 HydrophobicContact CB-CZ 3.68Å; M76-F189 HydrophobicContact CG-CE2 3.88Å; M76-F189 HydrophobicContact CG-CZ 4.2Å
77P93.8Very high74.1Confident0 Ų070 Ų700%036%0.358CS..EExtended strand (participates in β ladder)trans-110.1134155.234.3-30.6000112.3I102 L106 K108 Y112 V113 A114 L137 L138P77-I102 HydrophobicContact CB-CG2 3.94Å; P77-I102 HydrophobicContact CG-CG2 3.95Å; P77-L106 HydrophobicContact CB-CD1 3.48Å; P77-L106 VanDerWaalsContact CB-CD1 3.48Å; P77-L106 HydrophobicContact CG-CD1 3.98Å; P77-K108 HydrophobicContact CG-CD 4.39Å; P77-Y112 WeakPolarHBondContact CD-O 3.38Å; P77-V113 HydrophobicContact CG-CB 4.18Å; P77-V113 HydrophobicContact CG-CG1 4.27Å; P77-V113 HydrophobicContact CG-CG2 3.67Å; P77-V113 WeakPolarHBondContact O-CA 3.25Å; P77-A114 PolarHBondContact O-N 2.91Å; P77-L137 HydrophobicContact CB-CD1 4.22Å; P77-L138 CarbonylContact C-O 3.57Å; P77-L138 WeakPolarHBondContact CA-O 3.5Å
78I95.5Very high77.1Confident56 Ų5669.1 Ų69.129%0.28736%0.357SS..EExtended strand (participates in β ladder)trans-115123.7167.6-67.2156.8000107.5M76 T80 A114 L138M76-I78 HydrophobicContact CE-CD1 4.16Å; M76-I78 HydrophobicContact SD-CB 4.25Å; M76-I78 HydrophobicContact SD-CD1 3.5Å; M76-I78 VanDerWaalsContact SD-CD1 3.5Å; M76-I78 HydrophobicContact SD-CG1 3.5Å; M76-I78 WeakPolarHBondContact SD-CG1 3.43Å; I78-T80 HydrophobicContact CG2-CG2 3.74Å; I78-A114 WeakPolarHBondContact CA-O 3.46Å; I78-A114 HydrophobicContact CG1-CB 4.03Å; I78-L138 HydrophobicContact CB-CB 4.32Å; I78-L138 HydrophobicContact CB-CD1 4.15Å; I78-L138 HydrophobicContact CG2-CD1 4.18Å; I78-L138 PolarHBondContact N-O 2.91Å; I78-L138 PolarHBondContact O-N 2.86Å
79F97.7Very high80Confident0 Ų065.2 Ų65.20%035%0.345CS..EExtended strand (participates in β ladder)trans-107.2116.4168.4-178-120.6000109.8F81 T98 I102 A114 V115 H116 Q136 L137 L155 L159 I172F79-F81 HydrophobicContact CE1-CB 3.81Å; F79-F81 HydrophobicContact CE1-CG 4.39Å; F79-F81 HydrophobicContact CE2-CB 4.44Å; F79-F81 HydrophobicContact CE2-CD2 4.41Å; F79-F81 HydrophobicContact CZ-CB 3.72Å; F79-F81 AromaticContact CZ-CD2 3.83Å; F79-F81 HydrophobicContact CZ-CD2 3.83Å; F79-F81 AromaticContact CZ-CG 4Å; F79-F81 HydrophobicContact CZ-CG 4Å; F79-T98 HydrophobicContact CD1-CG2 3.75Å; F79-T98 HydrophobicContact CE1-CG2 3.99Å; F79-I102 HydrophobicContact CB-CD1 3.34Å; F79-I102 HydrophobicContact CD1-CD1 3.94Å; F79-I102 HydrophobicContact CG-CD1 3.79Å; F79-A114 PolarHBondContact N-O 3.25Å; F79-V115 HydrophobicContact CD1-CG1 4.32Å; F79-V115 WeakPolarHBondContact O-CA 3.33Å; F79-H116 PolarHBondContact O-N 2.91Å; F79-Q136 WeakPolarHBondContact CA-O 3.41Å; F79-Q136 WeakPolarHBondContact CD2-O 3.44Å; F79-L137 HydrophobicContact CB-CD1 4.03Å; F79-L137 HydrophobicContact CD2-CB 4.17Å; F79-L137 HydrophobicContact CD2-CD1 4.46Å; F79-L155 HydrophobicContact CZ-CD2 4.38Å; F79-L159 HydrophobicContact CZ-CD1 4.28Å; F79-I172 HydrophobicContact CE2-CD1 4.14Å; F79-I172 HydrophobicContact CE2-CG2 4.24Å; F79-I172 HydrophobicContact CZ-CD1 4.3Å
80T97.3Very high82.9Confident32 Ų3259.7 Ų59.720%0.19632%0.32CS..EExtended strand (participates in β ladder)trans-112.7131.5170.865.70000110I78 H116 G135 Q136I78-T80 HydrophobicContact CG2-CG2 3.74Å; T80-H116 CarbonylContact C-O 3.45Å; T80-H116 VanDerWaalsContact CA-O 3.24Å; T80-H116 WeakPolarHBondContact CA-O 3.31Å; T80-H116 HydrophobicContact CG2-CB 4.21Å; T80-G135 CarbonylContact O-C 3.55Å; T80-G135 WeakPolarHBondContact O-CA 3.36Å; T80-Q136 PolarHBondContact N-O 3.44Å; T80-Q136 PolarHBondContact O-N 2.78Å; T80-Q136 WeakPolarHBondContact OG1-CG 3.24Å; T80-Q136 PolarHBondContact OG1-NE2 2.83Å
81F98Very high85.8Confident0 Ų056.3 Ų56.30%030%0.299CS..EExtended strand (participates in β ladder)trans-139.2130.4-179.3-166.6-102.7000111F79 H116 I117 N118 L159 I165 M170 I172F79-F81 HydrophobicContact CE1-CB 3.81Å; F79-F81 HydrophobicContact CE1-CG 4.39Å; F79-F81 HydrophobicContact CE2-CB 4.44Å; F79-F81 HydrophobicContact CE2-CD2 4.41Å; F79-F81 HydrophobicContact CZ-CB 3.72Å; F79-F81 AromaticContact CZ-CD2 3.83Å; F79-F81 HydrophobicContact CZ-CD2 3.83Å; F79-F81 AromaticContact CZ-CG 4Å; F79-F81 HydrophobicContact CZ-CG 4Å; F81-H116 PolarHBondContact N-O 3.23Å; F81-I117 HydrophobicContact CB-CG1 4.38Å; F81-I117 HydrophobicContact CD1-CG2 4.47Å; F81-I117 CarbonylContact O-C 3.43Å; F81-I117 VanDerWaalsContact O-CA 3.24Å; F81-I117 WeakPolarHBondContact O-CA 3.41Å; F81-N118 PolarHBondContact O-N 3.19Å; F81-L159 HydrophobicContact CD1-CD2 4.09Å; F81-L159 HydrophobicContact CD2-CD1 4.23Å; F81-L159 HydrophobicContact CE1-CD1 4.35Å; F81-L159 HydrophobicContact CE1-CD2 4.06Å; F81-L159 HydrophobicContact CE2-CD1 3.84Å; F81-L159 HydrophobicContact CG-CD2 4.48Å; F81-L159 HydrophobicContact CZ-CD1 3.9Å; F81-L159 HydrophobicContact CZ-CD2 4.44Å; F81-I165 HydrophobicContact CE1-CD1 3.81Å; F81-I165 HydrophobicContact CZ-CD1 4.24Å; F81-M170 HydrophobicContact CZ-CG 4.09Å; F81-M170 HydrophobicContact CZ-SD 3.95Å; F81-I172 HydrophobicContact CE2-CG1 4.35Å
82S97.7Very high88.5Confident23 Ų2354.3 Ų54.316%0.16129%0.294CS..EExtended strand (participates in β ladder)trans-110.5134.6176.8-66.60000109.6N118 G133 F134S82-N118 WeakPolarHBondContact CA-O 3.42Å; S82-N118 PolarHBondContact OG-ND2 2.95Å; S82-N118 VanDerWaalsContact OG-ND2 3.12Å; S82-G133 CarbonylContact O-C 3.48Å; S82-G133 WeakPolarHBondContact O-CA 3.39Å; S82-F134 PolarHBondContact N-O 2.93Å; S82-F134 PolarHBondContact O-N 2.88Å
83T98.5Very high90.9Very high0 Ų050.5 Ų50.50%028%0.279CS..EExtended strand (participates in β ladder)trans-144.2150.4-176.6-179.80000111.8V85 I90 I117 N118 G119 G120 Q121 A132 L163 I165T83-V85 VanDerWaalsContact C-N 3.26Å; T83-V85 HydrophobicContact CG2-CB 3.93Å; T83-V85 WeakPolarHBondContact OG1-CB 3.02Å; T83-V85 WeakPolarHBondContact OG1-CG2 3.24Å; T83-V85 PolarHBondContact OG1-N 2.99Å; T83-V85 VanDerWaalsContact OG1-N 3.08Å; T83-I90 HydrophobicContact CG2-CD1 3.61Å; T83-I117 HydrophobicContact CG2-CG2 4.34Å; T83-N118 PolarHBondContact N-O 2.79Å; T83-G119 CarbonylContact O-C 3.58Å; T83-G120 PolarHBondContact O-N 2.89Å; T83-Q121 VanDerWaalsContact O-CB 3.32Å; T83-Q121 WeakPolarHBondContact O-CB 3.29Å; T83-Q121 WeakPolarHBondContact O-CG 3.19Å; T83-Q121 PolarHBondContact O-N 2.85Å; T83-A132 WeakPolarHBondContact CA-O 3.23Å; T83-A132 PolarHBondContact OG1-O 3.45Å; T83-A132 VanDerWaalsContact OG1-O 3.1Å; T83-L163 HydrophobicContact CG2-CD1 4.5Å; T83-I165 VanDerWaalsContact OG1-CD1 3.28Å; T83-I165 WeakPolarHBondContact OG1-CD1 3.2Å
84N98Very high93.3Very high29 Ų2946.3 Ų46.316%0.15526%0.257CS..SBendtrans-82.1-2.4169.760.9-0.5000113.2Q121 I123 D129 A130 P131 A132N84-Q121 VanDerWaalsContact CA-O 3.24Å; N84-Q121 WeakPolarHBondContact CA-O 3.18Å; N84-Q121 WeakPolarHBondContact CB-O 3.41Å; N84-I123 HydrophobicContact CB-CB 4.06Å; N84-I123 HydrophobicContact CB-CG1 4.43Å; N84-I123 PolarHBondContact ND2-O 2.89Å; N84-D129 PolarHBondContact ND2-O 2.92Å; N84-A130 PolarHBondContact ND2-O 3.2Å; N84-P131 VanDerWaalsContact OD1-CA 3.29Å; N84-P131 WeakPolarHBondContact OD1-CA 3.43Å; N84-A132 PolarHBondContact N-O 2.92Å; N84-A132 PolarHBondContact OD1-N 3.43Å; N84-A132 PolarHBondContact OD1-O 2.97Å; N84-A132 VanDerWaalsContact OD1-O 3.1Å
85V98Very high95.1Very high11 Ų1146.4 Ų46.47%0.06725%0.254CS..SBendtrans-59.3128.5168.6173.40000108.8T83 S87 N89 I90 G119 G120 L163 I165T83-V85 VanDerWaalsContact C-N 3.26Å; T83-V85 HydrophobicContact CG2-CB 3.93Å; T83-V85 WeakPolarHBondContact OG1-CB 3.02Å; T83-V85 WeakPolarHBondContact OG1-CG2 3.24Å; T83-V85 PolarHBondContact OG1-N 2.99Å; T83-V85 VanDerWaalsContact OG1-N 3.08Å; V85-S87 PolarHBondContact O-N 3.17Å; V85-N89 HydrophobicContact CG1-CB 4Å; V85-I90 HydrophobicContact CG1-CG1 4.29Å; V85-G119 CarbonylContact O-C 3.47Å; V85-G119 WeakPolarHBondContact O-CA 3.14Å; V85-G120 PolarHBondContact O-N 3.27Å; V85-L163 HydrophobicContact CG2-CB 4.3Å; V85-L163 WeakPolarHBondContact CG2-O 3.45Å; V85-I165 HydrophobicContact CG2-CD1 4.09Å; V85-I165 HydrophobicContact CG2-CG1 3.81Å
86P97.2Very high96.5Very high50 Ų5047.1 Ų47.133%0.32526%0.257SS..  trans-54.9138.5-176.9-25.332.9000112.4E88 N89P86-E88 HydrophobicContact CB-CG 3.97Å; P86-E88 WeakPolarHBondContact CB-OE1 3.32Å; P86-E88 VanDerWaalsContact CB-OE2 3.31Å; P86-E88 WeakPolarHBondContact CB-OE2 3.44Å; P86-E88 PolarHBondContact O-N 3.06Å; P86-N89 WeakPolarHBondContact O-CB 3.39Å; P86-N89 PolarHBondContact O-N 3.37Å
87S96Very high97.1Very high43 Ų4348.5 Ų48.530%0.30127%0.268SS..G310 helixtrans-59.7-32.1-175.2-58.70000112.9V85 N89 I90 G119V85-S87 PolarHBondContact O-N 3.17Å; S87-N89 PolarHBondContact O-N 3.25Å; S87-I90 PolarHBondContact O-N 2.67Å; S87-G119 WeakPolarHBondContact OG-CA 3.4Å; S87-G119 PolarHBondContact OG-O 3.48Å; S87-G119 VanDerWaalsContact OG-O 3.09Å
88E96.3Very high97.3Very high156 Ų15648.5 Ų48.573%0.72927%0.268SS*.G310 helixtrans-61.9-23.1174.559.5-91.7-145.400113.6P86 I90P86-E88 HydrophobicContact CB-CG 3.97Å; P86-E88 WeakPolarHBondContact CB-OE1 3.32Å; P86-E88 VanDerWaalsContact CB-OE2 3.31Å; P86-E88 WeakPolarHBondContact CB-OE2 3.44Å; P86-E88 PolarHBondContact O-N 3.06Å; E88-I90 VanDerWaalsContact C-N 3.32Å
89N96.4Very high97.4Very high109 Ų10946.5 Ų46.558%0.58326%0.26SS*.G310 helixtrans-87.7-1.4175.7-66-13.2000112.5V85 P86 S87V85-N89 HydrophobicContact CG1-CB 4Å; P86-N89 WeakPolarHBondContact O-CB 3.39Å; P86-N89 PolarHBondContact O-N 3.37Å; S87-N89 PolarHBondContact O-N 3.25Å
90I97.1Very high97.4Very high24 Ų2452.9 Ų52.912%0.12329%0.287CS..SBendtrans-108.592.9-178.7-49-175.2000108.7T83 V85 S87 E88 F94 L95 I117 G119 L163T83-I90 HydrophobicContact CG2-CD1 3.61Å; V85-I90 HydrophobicContact CG1-CG1 4.29Å; S87-I90 PolarHBondContact O-N 2.67Å; E88-I90 VanDerWaalsContact C-N 3.32Å; I90-F94 HydrophobicContact CG2-CD1 4.16Å; I90-L95 HydrophobicContact CG2-CD1 3.73Å; I90-I117 HydrophobicContact CD1-CG2 3.75Å; I90-I117 HydrophobicContact CG2-CB 4.3Å; I90-I117 HydrophobicContact CG2-CG2 4.03Å; I90-G119 VanDerWaalsContact CD1-CA 3.49Å; I90-L163 HydrophobicContact CG1-CD2 4Å
91S96.4Very high97.5Very high60 Ų6053.4 Ų53.442%0.4229%0.289SS..  trans-77.4155.4-17773.10000112.9D93 F94 L95S91-D93 PolarHBondContact O-N 3.23Å; S91-F94 WeakPolarHBondContact O-CA 3.43Å; S91-F94 WeakPolarHBondContact O-CB 3.47Å; S91-F94 PolarHBondContact O-N 2.85Å; S91-F94 PolarHBondContact OG-N 3.46Å; S91-F94 VanDerWaalsContact OG-N 3.08Å; S91-L95 VanDerWaalsContact O-CD1 3.3Å; S91-L95 WeakPolarHBondContact O-CD1 3.24Å; S91-L95 PolarHBondContact O-N 3.32Å
92V96.1Very high97.4Very high99 Ų9953.4 Ų53.460%0.629%0.289SS*.Hα-helixtrans-58.4-31.6170.7173.70000111.5F94 L95 K96V92-F94 VanDerWaalsContact C-N 3.34Å; V92-L95 WeakPolarHBondContact O-CB 3.38Å; V92-L95 PolarHBondContact O-N 2.95Å; V92-K96 WeakPolarHBondContact O-CG 3.37Å; V92-K96 PolarHBondContact O-N 3.08Å
93D97.5Very high97.3Very high105 Ų10552.9 Ų52.956%0.56129%0.285SS*.Hα-helixtrans-70.7-30.3176.1-68.7-23.9000112.5S91 K96 S97S91-D93 PolarHBondContact O-N 3.23Å; D93-K96 PolarHBondContact O-N 2.63Å; D93-K96 IonicContact OD1-NZ 2.88Å; D93-K96 PolarHBondContact OD1-NZ 3.27Å; D93-S97 WeakPolarHBondContact O-CB 3.14Å; D93-S97 PolarHBondContact O-N 3.33Å; D93-S97 PolarHBondContact O-OG 3.12Å; D93-S97 VanDerWaalsContact O-OG 3.1Å
94F98.1Very high97Very high17 Ų1755.8 Ų55.88%0.07532%0.316CS..Hα-helixtrans-64.5-40.6168-174-105.5000111.4I90 S91 V92 S97 T98 I117 H158 L159 L163I90-F94 HydrophobicContact CG2-CD1 4.16Å; S91-F94 WeakPolarHBondContact O-CA 3.43Å; S91-F94 WeakPolarHBondContact O-CB 3.47Å; S91-F94 PolarHBondContact O-N 2.85Å; S91-F94 PolarHBondContact OG-N 3.46Å; S91-F94 VanDerWaalsContact OG-N 3.08Å; V92-F94 VanDerWaalsContact C-N 3.34Å; F94-S97 WeakPolarHBondContact CA-OG 3.48Å; F94-S97 PolarHBondContact O-N 3.33Å; F94-S97 PolarHBondContact O-OG 3.12Å; F94-T98 WeakPolarHBondContact O-CB 3.24Å; F94-T98 PolarHBondContact O-N 3.31Å; F94-T98 PolarHBondContact O-OG1 3.39Å; F94-I117 HydrophobicContact CD1-CD1 3.9Å; F94-I117 HydrophobicContact CE1-CD1 3.65Å; F94-H158 AromaticContact CD2-NE2 3.92Å; F94-H158 AromaticContact CE2-CD2 3.71Å; F94-H158 AromaticContact CE2-CE1 3.77Å; F94-H158 AromaticContact CE2-NE2 3.23Å; F94-H158 WeakPolarHBondContact CE2-NE2 3.34Å; F94-H158 AromaticContact CZ-CD2 3.65Å; F94-H158 AromaticContact CZ-NE2 3.51Å; F94-L159 HydrophobicContact CE1-CD2 4.36Å; F94-L159 HydrophobicContact CZ-CD2 4.16Å; F94-L163 HydrophobicContact CD1-CD2 3.91Å; F94-L163 HydrophobicContact CD1-CG 4.36Å; F94-L163 HydrophobicContact CE1-CD1 3.74Å; F94-L163 HydrophobicContact CE1-CD2 3.7Å; F94-L163 HydrophobicContact CE1-CG 3.65Å; F94-L163 HydrophobicContact CE2-CG 4.46Å; F94-L163 HydrophobicContact CG-CD2 4.45Å; F94-L163 HydrophobicContact CZ-CD1 4.11Å; F94-L163 HydrophobicContact CZ-CD2 4.1Å; F94-L163 HydrophobicContact CZ-CG 3.71Å
95L97.9Very high96.9Very high51 Ų5155.2 Ų55.227%0.26731%0.312SS..Hα-helixtrans-62.7-44.4173.7-84.369.5000111.8I90 S91 V92 T98 S99 V115 I117I90-L95 HydrophobicContact CG2-CD1 3.73Å; S91-L95 VanDerWaalsContact O-CD1 3.3Å; S91-L95 WeakPolarHBondContact O-CD1 3.24Å; S91-L95 PolarHBondContact O-N 3.32Å; V92-L95 WeakPolarHBondContact O-CB 3.38Å; V92-L95 PolarHBondContact O-N 2.95Å; L95-T98 WeakPolarHBondContact O-CB 3.28Å; L95-T98 PolarHBondContact O-N 3.23Å; L95-S99 PolarHBondContact O-N 3.46Å; L95-V115 HydrophobicContact CG-CG1 4.21Å; L95-I117 HydrophobicContact CD1-CD1 4.3Å
96K97.7Very high96.6Very high108 Ų10855.3 Ų55.347%0.4731%0.312SS..Hα-helixtrans-61.6-44.4176.4-69.8173.6-169.61540112.4V92 D93 T98 S99 K100V92-K96 WeakPolarHBondContact O-CG 3.37Å; V92-K96 PolarHBondContact O-N 3.08Å; D93-K96 PolarHBondContact O-N 2.63Å; D93-K96 IonicContact OD1-NZ 2.88Å; D93-K96 PolarHBondContact OD1-NZ 3.27Å; K96-T98 VanDerWaalsContact C-N 3.31Å; K96-T98 PolarHBondContact O-N 3.3Å; K96-S99 WeakPolarHBondContact O-CB 3.28Å; K96-S99 PolarHBondContact O-N 3.38Å; K96-K100 WeakPolarHBondContact O-CG 3.47Å; K96-K100 PolarHBondContact O-N 2.84Å
97S98.1Very high96.3Very high45 Ų4555.9 Ų55.932%0.31533%0.327SS..Hα-helixtrans-65.6-36.5177.459.30000111.9D93 F94 K100 L101 H158D93-S97 WeakPolarHBondContact O-CB 3.14Å; D93-S97 PolarHBondContact O-N 3.33Å; D93-S97 PolarHBondContact O-OG 3.12Å; D93-S97 VanDerWaalsContact O-OG 3.1Å; F94-S97 WeakPolarHBondContact CA-OG 3.48Å; F94-S97 PolarHBondContact O-N 3.33Å; F94-S97 PolarHBondContact O-OG 3.12Å; S97-K100 PolarHBondContact O-N 2.9Å; S97-L101 WeakPolarHBondContact O-CB 3.41Å; S97-L101 PolarHBondContact O-N 3.49Å; S97-H158 PolarHBondContact OG-CE1 3.22Å
98T98.2Very high96Very high0 Ų054.3 Ų54.30%032%0.315CS..Hα-helixtrans-62.3-43.7172.2-53.80000111.6F79 F94 L95 K96 L101 I102 V115 H158F79-T98 HydrophobicContact CD1-CG2 3.75Å; F79-T98 HydrophobicContact CE1-CG2 3.99Å; F94-T98 WeakPolarHBondContact O-CB 3.24Å; F94-T98 PolarHBondContact O-N 3.31Å; F94-T98 PolarHBondContact O-OG1 3.39Å; L95-T98 WeakPolarHBondContact O-CB 3.28Å; L95-T98 PolarHBondContact O-N 3.23Å; K96-T98 VanDerWaalsContact C-N 3.31Å; K96-T98 PolarHBondContact O-N 3.3Å; T98-L101 WeakPolarHBondContact O-CB 3.44Å; T98-L101 PolarHBondContact O-N 3.14Å; T98-I102 HydrophobicContact CG2-CD1 3.86Å; T98-I102 WeakPolarHBondContact O-CD1 3.49Å; T98-I102 WeakPolarHBondContact O-CG1 3.47Å; T98-I102 PolarHBondContact O-N 2.91Å; T98-V115 HydrophobicContact CG2-CG1 3.89Å; T98-V115 HydrophobicContact CG2-CG2 4.1Å; T98-H158 PolarHBondContact OG1-NE2 2.92Å
99S97.8Very high95.6Very high15 Ų1550 Ų5011%0.10530%0.301CS..Hα-helixtrans-57.9-51.2175.7170.70000111.8L95 K96 L101 I102 A103 E110L95-S99 PolarHBondContact O-N 3.46Å; K96-S99 WeakPolarHBondContact O-CB 3.28Å; K96-S99 PolarHBondContact O-N 3.38Å; S99-L101 VanDerWaalsContact C-N 3.33Å; S99-L101 PolarHBondContact O-N 3.48Å; S99-I102 PolarHBondContact O-N 3.02Å; S99-A103 WeakPolarHBondContact O-CB 3.46Å; S99-A103 PolarHBondContact O-N 2.85Å; S99-E110 WeakPolarHBondContact CB-OE1 3.49Å; S99-E110 WeakPolarHBondContact OG-CG 3.39Å; S99-E110 PolarHBondContact OG-OE1 2.8Å
100K97.8Very high95.4Very high134 Ų13448.6 Ų48.658%0.58329%0.291SS*.Hα-helixtrans-57.7-43.4175.3-71.2179.4-179.2-178.80112.7K96 S97 A103 G104 E110K96-K100 WeakPolarHBondContact O-CG 3.47Å; K96-K100 PolarHBondContact O-N 2.84Å; S97-K100 PolarHBondContact O-N 2.9Å; K100-A103 PolarHBondContact O-N 2.79Å; K100-G104 PolarHBondContact O-N 2.87Å; K100-E110 VanDerWaalsContact CG-OE1 3.28Å; K100-E110 WeakPolarHBondContact CG-OE1 3.32Å; K100-E110 WeakPolarHBondContact CG-OE2 3.27Å; K100-E110 PolarHBondContact N-OE1 2.88Å
101L98.2Very high95.1Very high43 Ų4352.4 Ų52.423%0.22532%0.319CS..Hα-helixtrans-60.2-49.2177.917765.9000111S97 T98 S99 G104 M105 K154 L155 H158S97-L101 WeakPolarHBondContact O-CB 3.41Å; S97-L101 PolarHBondContact O-N 3.49Å; T98-L101 WeakPolarHBondContact O-CB 3.44Å; T98-L101 PolarHBondContact O-N 3.14Å; S99-L101 VanDerWaalsContact C-N 3.33Å; S99-L101 PolarHBondContact O-N 3.48Å; L101-G104 PolarHBondContact O-N 3.26Å; L101-M105 HydrophobicContact CD1-CG 4.11Å; L101-M105 HydrophobicContact CD1-SD 3.86Å; L101-M105 HydrophobicContact CD2-SD 4.17Å; L101-M105 HydrophobicContact CG-CG 4.3Å; L101-M105 HydrophobicContact CG-SD 3.63Å; L101-M105 VanDerWaalsContact O-CB 3.27Å; L101-M105 WeakPolarHBondContact O-CB 3.15Å; L101-M105 WeakPolarHBondContact O-CG 3.28Å; L101-M105 PolarHBondContact O-N 3.45Å; L101-K154 HydrophobicContact CD1-CB 4.4Å; L101-L155 HydrophobicContact CD2-CD2 4.22Å; L101-H158 HydrophobicContact CD2-CB 3.39Å; L101-H158 VanDerWaalsContact CD2-CG 3.47Å
102I96.9Very high94.8Very high0 Ų052.3 Ų52.30%031%0.31CS..Hα-helixtrans-62.8-44.7179.6-69.4158.8000111.1P77 F79 T98 S99 G104 M105 L106 V113 V115 L137 L155P77-I102 HydrophobicContact CB-CG2 3.94Å; P77-I102 HydrophobicContact CG-CG2 3.95Å; F79-I102 HydrophobicContact CB-CD1 3.34Å; F79-I102 HydrophobicContact CD1-CD1 3.94Å; F79-I102 HydrophobicContact CG-CD1 3.79Å; T98-I102 HydrophobicContact CG2-CD1 3.86Å; T98-I102 WeakPolarHBondContact O-CD1 3.49Å; T98-I102 WeakPolarHBondContact O-CG1 3.47Å; T98-I102 PolarHBondContact O-N 2.91Å; S99-I102 PolarHBondContact O-N 3.02Å; I102-G104 PolarHBondContact O-N 3.38Å; I102-M105 PolarHBondContact O-N 3.28Å; I102-L106 HydrophobicContact CG2-CD1 3.8Å; I102-L106 HydrophobicContact CG2-CG 4.46Å; I102-L106 WeakPolarHBondContact O-CB 3.35Å; I102-L106 PolarHBondContact O-N 3.3Å; I102-V113 HydrophobicContact CB-CG1 4.01Å; I102-V113 HydrophobicContact CD1-CG1 4.3Å; I102-V113 HydrophobicContact CG2-CG1 3.84Å; I102-V113 HydrophobicContact CG2-CG2 4.36Å; I102-V115 HydrophobicContact CD1-CG2 3.8Å; I102-L137 HydrophobicContact CG2-CD1 4.08Å; I102-L155 HydrophobicContact CG1-CD2 4.28Å
103A94.2Very high94.6Very high11 Ų1148.5 Ų48.59%0.09129%0.287CS..Hα-helixtrans-54.5-52.6176.100000111.2S99 K100 L106 G107 K108 E110 V113S99-A103 WeakPolarHBondContact O-CB 3.46Å; S99-A103 PolarHBondContact O-N 2.85Å; K100-A103 PolarHBondContact O-N 2.79Å; A103-L106 PolarHBondContact O-N 3.34Å; A103-G107 WeakPolarHBondContact O-CA 3.48Å; A103-G107 PolarHBondContact O-N 2.8Å; A103-K108 WeakPolarHBondContact CA-O 3.35Å; A103-K108 WeakPolarHBondContact CB-O 3.31Å; A103-K108 PolarHBondContact O-N 2.94Å; A103-K108 VanDerWaalsContact O-N 3.1Å; A103-E110 HydrophobicContact CB-CB 3.87Å; A103-E110 HydrophobicContact CB-CG 4.25Å; A103-V113 HydrophobicContact CB-CG2 3.94Å
104G93.9Very high94.4Very high62 Ų6245.9 Ų45.964%0.63928%0.28SS*.Hα-helixtrans-66.6-36179.100000113.4K100 L101 I102K100-G104 PolarHBondContact O-N 2.87Å; L101-G104 PolarHBondContact O-N 3.26Å; I102-G104 PolarHBondContact O-N 3.38Å
105M94.2Very high94.4Very high17 Ų1746.5 Ų46.58%0.08429%0.285CS..Hα-helixtrans-64.1-44.1176.4-81.6176.142.400112.6L101 I102 H151 K154 L155L101-M105 HydrophobicContact CD1-CG 4.11Å; L101-M105 HydrophobicContact CD1-SD 3.86Å; L101-M105 HydrophobicContact CD2-SD 4.17Å; L101-M105 HydrophobicContact CG-CG 4.3Å; L101-M105 HydrophobicContact CG-SD 3.63Å; L101-M105 VanDerWaalsContact O-CB 3.27Å; L101-M105 WeakPolarHBondContact O-CB 3.15Å; L101-M105 WeakPolarHBondContact O-CG 3.28Å; L101-M105 PolarHBondContact O-N 3.45Å; I102-M105 PolarHBondContact O-N 3.28Å; M105-H151 VanDerWaalsContact CE-CA 3.41Å; M105-H151 HydrophobicContact CE-CB 3.4Å; M105-H151 VanDerWaalsContact CE-CB 3.4Å; M105-H151 WeakPolarHBondContact CE-O 3.27Å; M105-H151 PolarHBondContact O-CE1 3.32Å; M105-H151 VanDerWaalsContact O-CE1 3.23Å; M105-K154 HydrophobicContact CE-CB 4.43Å; M105-K154 HydrophobicContact CG-CB 4.25Å; M105-K154 HydrophobicContact CG-CD 3.57Å; M105-K154 HydrophobicContact SD-CB 3.54Å; M105-K154 VanDerWaalsContact SD-CB 3.54Å; M105-K154 HydrophobicContact SD-CD 4.02Å; M105-K154 HydrophobicContact SD-CG 4.45Å; M105-L155 HydrophobicContact CE-CD1 3.78Å; M105-L155 HydrophobicContact CE-CG 3.72Å; M105-L155 HydrophobicContact SD-CD2 4.5Å; M105-L155 HydrophobicContact SD-CG 4.01Å
106L92.9Very high94.3Very high13 Ų1348.5 Ų48.57%0.06829%0.293CS..Hα-helixtrans-91.6-10-175.1-64176.5000113.3P77 I102 A103 K108 L137 V143P77-L106 HydrophobicContact CB-CD1 3.48Å; P77-L106 VanDerWaalsContact CB-CD1 3.48Å; P77-L106 HydrophobicContact CG-CD1 3.98Å; I102-L106 HydrophobicContact CG2-CD1 3.8Å; I102-L106 HydrophobicContact CG2-CG 4.46Å; I102-L106 WeakPolarHBondContact O-CB 3.35Å; I102-L106 PolarHBondContact O-N 3.3Å; A103-L106 PolarHBondContact O-N 3.34Å; L106-K108 VanDerWaalsContact C-N 3.26Å; L106-K108 HydrophobicContact CB-CB 4.42Å; L106-K108 HydrophobicContact CB-CD 4.2Å; L106-K108 HydrophobicContact CB-CG 4Å; L106-K108 PolarHBondContact O-N 3.24Å; L106-L137 HydrophobicContact CD1-CD1 4.44Å; L106-L137 HydrophobicContact CD1-CD2 4.29Å; L106-L137 HydrophobicContact CD2-CD2 4.48Å; L106-V143 HydrophobicContact CD2-CG1 4.18Å
107G91.2Very high94.2Very high61 Ų6144.3 Ų44.363%0.62928%0.275SS*.THydrogen-bonded Turntrans64.832.1-173.400000112.4A103A103-G107 WeakPolarHBondContact O-CA 3.48Å; A103-G107 PolarHBondContact O-N 2.8Å
108K89.4Confident94.1Very high10 Ų1043.6 Ų43.64%0.04327%0.268CS..  trans-111.2147.2-178.5-65-173.5-178.4-168.10110P74 P77 A103 L106 E110 S139 L140 G141P74-K108 WeakPolarHBondContact O-CE 3.45Å; P74-K108 PolarHBondContact O-NZ 3.08Å; P77-K108 HydrophobicContact CG-CD 4.39Å; A103-K108 WeakPolarHBondContact CA-O 3.35Å; A103-K108 WeakPolarHBondContact CB-O 3.31Å; A103-K108 PolarHBondContact O-N 2.94Å; A103-K108 VanDerWaalsContact O-N 3.1Å; L106-K108 VanDerWaalsContact C-N 3.26Å; L106-K108 HydrophobicContact CB-CB 4.42Å; L106-K108 HydrophobicContact CB-CD 4.2Å; L106-K108 HydrophobicContact CB-CG 4Å; L106-K108 PolarHBondContact O-N 3.24Å; K108-E110 PolarHBondContact O-N 3.38Å; K108-S139 PolarHBondContact NZ-OG 3.42Å; K108-L140 PolarHBondContact NZ-O 3.31Å; K108-G141 PolarHBondContact NZ-O 3.12Å; K108-G141 VanDerWaalsContact NZ-O 3.09Å
109P88.6Confident94.1Very high67 Ų6744 Ų4444%0.43527%0.271SS..  trans-59.9134.1177.4-18.930.1000110.9S111 Y112P109-S111 PolarHBondContact O-N 2.81Å; P109-S111 VanDerWaalsContact O-N 3.13Å; P109-Y112 HydrophobicContact CB-CD2 4.18Å; P109-Y112 HydrophobicContact CG-CD2 4.38Å; P109-Y112 PolarHBondContact O-N 2.89Å; P109-Y112 VanDerWaalsContact O-N 3.11Å
110E92Very high94Very high79 Ų7945.5 Ų45.537%0.36929%0.29SS..G310 helixtrans-57.6-29.3-179.8-169.5178.3-176.500112.2S99 K100 A103 K108 Y112 V113S99-E110 WeakPolarHBondContact CB-OE1 3.49Å; S99-E110 WeakPolarHBondContact OG-CG 3.39Å; S99-E110 PolarHBondContact OG-OE1 2.8Å; K100-E110 VanDerWaalsContact CG-OE1 3.28Å; K100-E110 WeakPolarHBondContact CG-OE1 3.32Å; K100-E110 WeakPolarHBondContact CG-OE2 3.27Å; K100-E110 PolarHBondContact N-OE1 2.88Å; A103-E110 HydrophobicContact CB-CB 3.87Å; A103-E110 HydrophobicContact CB-CG 4.25Å; K108-E110 PolarHBondContact O-N 3.38Å; E110-Y112 PolarHBondContact O-N 2.85Å; E110-V113 WeakPolarHBondContact O-CB 3.02Å; E110-V113 PolarHBondContact O-N 2.96Å
111S89.5Confident94Very high104 Ų10443.1 Ų43.173%0.72728%0.281SS*.G310 helixtrans-58.1-12.4177.665.20000115P109P109-S111 PolarHBondContact O-N 2.81Å; P109-S111 VanDerWaalsContact O-N 3.13Å
112Y90.6Very high93.8Very high57 Ų5751.4 Ų51.422%0.22432%0.315CS..G310 helixtrans-109.3-3.4176.9-75.2-83.8000113.8K75 P77 P109 E110 Y184K75-Y112 HydrophobicContact CB-CD1 3.56Å; K75-Y112 HydrophobicContact CB-CD2 3.53Å; K75-Y112 HydrophobicContact CB-CE1 3.7Å; K75-Y112 HydrophobicContact CB-CE2 3.73Å; K75-Y112 HydrophobicContact CB-CG 3.42Å; K75-Y112 VanDerWaalsContact CB-CG 3.42Å; K75-Y112 HydrophobicContact CD-CD2 3.78Å; K75-Y112 HydrophobicContact CD-CE1 4.05Å; K75-Y112 HydrophobicContact CD-CE2 3.15Å; K75-Y112 HydrophobicContact CD-CG 4.44Å; K75-Y112 WeakPolarHBondContact CD-OH 3.34Å; K75-Y112 HydrophobicContact CG-CD2 4.22Å; K75-Y112 HydrophobicContact CG-CE2 4.06Å; K75-Y112 PolarHBondContact NZ-OH 3.49Å; K75-Y112 WeakPolarHBondContact O-CB 3.12Å; K75-Y112 WeakPolarHBondContact O-CD1 3.36Å; P77-Y112 WeakPolarHBondContact CD-O 3.38Å; P109-Y112 HydrophobicContact CB-CD2 4.18Å; P109-Y112 HydrophobicContact CG-CD2 4.38Å; P109-Y112 PolarHBondContact O-N 2.89Å; P109-Y112 VanDerWaalsContact O-N 3.11Å; E110-Y112 PolarHBondContact O-N 2.85Å; Y112-Y184 HydrophobicContact CE1-CE1 4.1Å; Y112-Y184 AromaticContact CE1-CZ 3.96Å
113V92.1Very high93.8Very high20 Ų2052.2 Ų52.212%0.12132%0.319CS..  trans-83127.4-178.8-175.80000109.2P77 I102 A103 E110 V115P77-V113 HydrophobicContact CG-CB 4.18Å; P77-V113 HydrophobicContact CG-CG1 4.27Å; P77-V113 HydrophobicContact CG-CG2 3.67Å; P77-V113 WeakPolarHBondContact O-CA 3.25Å; I102-V113 HydrophobicContact CB-CG1 4.01Å; I102-V113 HydrophobicContact CD1-CG1 4.3Å; I102-V113 HydrophobicContact CG2-CG1 3.84Å; I102-V113 HydrophobicContact CG2-CG2 4.36Å; A103-V113 HydrophobicContact CB-CG2 3.94Å; E110-V113 WeakPolarHBondContact O-CB 3.02Å; E110-V113 PolarHBondContact O-N 2.96Å; V113-V115 HydrophobicContact CG1-CG2 4.08Å
114A93.4Very high93.9Very high49 Ų4956.7 Ų56.741%0.40535%0.345SS..EExtended strand (participates in β ladder)trans-111.813416700000110P77 I78 F79P77-A114 PolarHBondContact O-N 2.91Å; I78-A114 WeakPolarHBondContact CA-O 3.46Å; I78-A114 HydrophobicContact CG1-CB 4.03Å; F79-A114 PolarHBondContact N-O 3.25Å
115V97Very high94.1Very high30 Ų3055.9 Ų55.918%0.18232%0.324CS..EExtended strand (participates in β ladder)trans-123.9127.2176.7176.60000108.9F79 L95 T98 I102 V113 I117F79-V115 HydrophobicContact CD1-CG1 4.32Å; F79-V115 WeakPolarHBondContact O-CA 3.33Å; L95-V115 HydrophobicContact CG-CG1 4.21Å; T98-V115 HydrophobicContact CG2-CG1 3.89Å; T98-V115 HydrophobicContact CG2-CG2 4.1Å; I102-V115 HydrophobicContact CD1-CG2 3.8Å; V113-V115 HydrophobicContact CG1-CG2 4.08Å; V115-I117 HydrophobicContact CG1-CD1 4.17Å; V115-I117 HydrophobicContact CG1-CG1 3.95Å
116H96.2Very high94.2Very high94 Ų9458.7 Ų58.744%0.43536%0.358SS..EExtended strand (participates in β ladder)trans-131.8115.8175.2-179.6-145.7000109.8F79 T80 F81 N118F79-H116 PolarHBondContact O-N 2.91Å; T80-H116 CarbonylContact C-O 3.45Å; T80-H116 VanDerWaalsContact CA-O 3.24Å; T80-H116 WeakPolarHBondContact CA-O 3.31Å; T80-H116 HydrophobicContact CG2-CB 4.21Å; F81-H116 PolarHBondContact N-O 3.23Å; H116-N118 PolarHBondContact CE1-OD1 3.09Å; H116-N118 PolarHBondContact NE2-OD1 2.83Å; H116-N118 VanDerWaalsContact NE2-OD1 3.12Å
117I97.2Very high94.3Very high19 Ų1961.6 Ų61.610%0.09739%0.391CS..EExtended strand (participates in β ladder)trans-117.5116.5180-56.5-177.4000109.3F81 T83 I90 F94 L95 V115F81-I117 HydrophobicContact CB-CG1 4.38Å; F81-I117 HydrophobicContact CD1-CG2 4.47Å; F81-I117 CarbonylContact O-C 3.43Å; F81-I117 VanDerWaalsContact O-CA 3.24Å; F81-I117 WeakPolarHBondContact O-CA 3.41Å; T83-I117 HydrophobicContact CG2-CG2 4.34Å; I90-I117 HydrophobicContact CD1-CG2 3.75Å; I90-I117 HydrophobicContact CG2-CB 4.3Å; I90-I117 HydrophobicContact CG2-CG2 4.03Å; F94-I117 HydrophobicContact CD1-CD1 3.9Å; F94-I117 HydrophobicContact CE1-CD1 3.65Å; L95-I117 HydrophobicContact CD1-CD1 4.3Å; V115-I117 HydrophobicContact CG1-CD1 4.17Å; V115-I117 HydrophobicContact CG1-CG1 3.95Å
118N95.9Very high94.6Very high31 Ų3161.8 Ų61.817%0.16638%0.38CS..EExtended strand (participates in β ladder)trans-90100.1175.8-51.3-72.5000109.2F81 S82 T83 H116 Q121F81-N118 PolarHBondContact O-N 3.19Å; S82-N118 WeakPolarHBondContact CA-O 3.42Å; S82-N118 PolarHBondContact OG-ND2 2.95Å; S82-N118 VanDerWaalsContact OG-ND2 3.12Å; T83-N118 PolarHBondContact N-O 2.79Å; H116-N118 PolarHBondContact CE1-OD1 3.09Å; H116-N118 PolarHBondContact NE2-OD1 2.83Å; H116-N118 VanDerWaalsContact NE2-OD1 3.12Å; N118-Q121 HydrophobicContact CB-CG 4Å; N118-Q121 VanDerWaalsContact O-CG 3.31Å; N118-Q121 WeakPolarHBondContact O-CG 3.32Å
119G96.9Very high95Very high7 Ų767.5 Ų67.57%0.07241%0.411CS..  trans-81.2169.1171.500000113.2T83 V85 S87 I90 Q121T83-G119 CarbonylContact O-C 3.58Å; V85-G119 CarbonylContact O-C 3.47Å; V85-G119 WeakPolarHBondContact O-CA 3.14Å; S87-G119 WeakPolarHBondContact OG-CA 3.4Å; S87-G119 PolarHBondContact OG-O 3.48Å; S87-G119 VanDerWaalsContact OG-O 3.09Å; I90-G119 VanDerWaalsContact CD1-CA 3.49Å; G119-Q121 PolarHBondContact O-N 3.45Å; G119-Q121 PolarHBondContact O-NE2 3.12Å
120G96.7Very high95.4Very high47 Ų4766.2 Ų66.249%0.48541%0.406SS..SBendtrans65.222.2172.600000114.6T83 V85T83-G120 PolarHBondContact O-N 2.89Å; V85-G120 PolarHBondContact O-N 3.27Å
121Q96.4Very high95.7Very high85 Ų8565.2 Ų65.240%0.39741%0.407SS..  trans-76.8150-177.9-55.9-59.1-62.300111.2T83 N84 N118 G119 I123T83-Q121 VanDerWaalsContact O-CB 3.32Å; T83-Q121 WeakPolarHBondContact O-CB 3.29Å; T83-Q121 WeakPolarHBondContact O-CG 3.19Å; T83-Q121 PolarHBondContact O-N 2.85Å; N84-Q121 VanDerWaalsContact CA-O 3.24Å; N84-Q121 WeakPolarHBondContact CA-O 3.18Å; N84-Q121 WeakPolarHBondContact CB-O 3.41Å; N118-Q121 HydrophobicContact CB-CG 4Å; N118-Q121 VanDerWaalsContact O-CG 3.31Å; N118-Q121 WeakPolarHBondContact O-CG 3.32Å; G119-Q121 PolarHBondContact O-N 3.45Å; G119-Q121 PolarHBondContact O-NE2 3.12Å; Q121-I123 HydrophobicContact CB-CD1 3.96Å; Q121-I123 HydrophobicContact CB-CG1 3.87Å; Q121-I123 PolarHBondContact O-N 3.34Å
122K94.8Very high96.1Very high216 Ų21660.3 Ų60.394%0.93937%0.372SS*.  trans-79.997.9171.6-66-177.6-178.7178.40109.2
123I96.7Very high96.5Very high17 Ų1757.6 Ų57.69%0.08736%0.361CS..  trans-124.8134.3-177.3-58.2-179.1000110N84 Q121 A132 F134N84-I123 HydrophobicContact CB-CB 4.06Å; N84-I123 HydrophobicContact CB-CG1 4.43Å; N84-I123 PolarHBondContact ND2-O 2.89Å; Q121-I123 HydrophobicContact CB-CD1 3.96Å; Q121-I123 HydrophobicContact CB-CG1 3.87Å; Q121-I123 PolarHBondContact O-N 3.34Å; I123-A132 HydrophobicContact CG2-CB 4.09Å; I123-F134 HydrophobicContact CD1-CD1 4.16Å; I123-F134 HydrophobicContact CD1-CE1 3.77Å; I123-F134 HydrophobicContact CG1-CE1 4.12Å; I123-F134 HydrophobicContact CG2-CE1 4.42Å
124T97.1Very high96.7Very high105 Ų10561.8 Ų61.864%0.64438%0.378SS*.  trans-113.8145159.5610000109.4T128T124-T128 CarbonylContact C-O 3.55Å; T124-T128 VanDerWaalsContact CA-O 3.27Å; T124-T128 WeakPolarHBondContact CA-O 3.49Å
125F97.3Very high96.9Very high45 Ų4560 Ų6020%0.19736%0.364CS..BIsolated β-bridgetrans-138.1124.7174.6-171.3-68.1000108.5G127 T128 A132 N168 R169 Y171F125-G127 PolarHBondContact O-N 2.56Å; F125-T128 PolarHBondContact N-O 2.94Å; F125-T128 PolarHBondContact O-N 2.94Å; F125-T128 PolarHBondContact O-OG1 2.98Å; F125-A132 HydrophobicContact CB-CB 3.62Å; F125-A132 HydrophobicContact CG-CB 4.33Å; F125-N168 WeakPolarHBondContact CE1-O 3.5Å; F125-N168 WeakPolarHBondContact CZ-O 3.42Å; F125-R169 HydrophobicContact CD1-CB 4.3Å; F125-R169 HydrophobicContact CD1-CG 4.19Å; F125-R169 HydrophobicContact CG-CB 4.37Å; F125-R169 PolarHBondContact O-NH1 2.92Å; F125-R169 PolarHBondContact O-NH2 2.88Å; F125-Y171 AromaticContact CE2-CD2 3.9Å; F125-Y171 HydrophobicContact CE2-CD2 3.9Å; F125-Y171 AromaticContact CE2-CE2 3.68Å; F125-Y171 HydrophobicContact CE2-CE2 3.68Å; F125-Y171 HydrophobicContact CE2-CG 4.48Å; F125-Y171 HydrophobicContact CZ-CE1 4.45Å; F125-Y171 AromaticContact CZ-CE2 3.94Å; F125-Y171 HydrophobicContact CZ-CE2 3.94Å; F125-Y171 AromaticContact CZ-CZ 3.89Å
126G95.8Very high96.8Very high77 Ų7761.5 Ų61.579%0.79437%0.369SS*.THydrogen-bonded Turntrans59.331.9-175.400000113.4T128G126-T128 VanDerWaalsContact C-N 3.34Å; G126-T128 PolarHBondContact O-N 3.02Å
127G95.8Very high96.8Very high74 Ų7457 Ų5776%0.76335%0.349SS*.THydrogen-bonded Turntrans81.90.2179.100000115.9F125F125-G127 PolarHBondContact O-N 2.56Å
128T97.6Very high96.7Very high65 Ų6557.4 Ų57.440%0.39935%0.351SS..BIsolated β-bridgetrans-120.4154.4178.470.80000112T124 F125 G126 R169T124-T128 CarbonylContact C-O 3.55Å; T124-T128 VanDerWaalsContact CA-O 3.27Å; T124-T128 WeakPolarHBondContact CA-O 3.49Å; F125-T128 PolarHBondContact N-O 2.94Å; F125-T128 PolarHBondContact O-N 2.94Å; F125-T128 PolarHBondContact O-OG1 2.98Å; G126-T128 VanDerWaalsContact C-N 3.34Å; G126-T128 PolarHBondContact O-N 3.02Å; T128-R169 PolarHBondContact O-NH2 3.42Å; T128-R169 VanDerWaalsContact O-NH2 3.07Å; T128-R169 PolarHBondContact OG1-NH1 3.03Å; T128-R169 VanDerWaalsContact OG1-NH1 3.1Å; T128-R169 PolarHBondContact OG1-NH2 3.27Å; T128-R169 VanDerWaalsContact OG1-NH2 3.09Å
129D96.8Very high96.6Very high129 Ų12956 Ų5669%0.6934%0.343SS*.  trans-94.510.1177.563.3-10.7000113.5N84N84-D129 PolarHBondContact ND2-O 2.92Å
130A98Very high96.2Very high40 Ų4055.8 Ų55.833%0.33134%0.34SS..SBendtrans-56.9159.1171.100000111.5N84 A132 R169N84-A130 PolarHBondContact ND2-O 3.2Å; A130-A132 PolarHBondContact O-N 2.79Å; A130-R169 PolarHBondContact O-NH2 3.1Å
131P98.3Very high95.8Very high59 Ų5954.4 Ų54.438%0.38333%0.327SS..SBendtrans-45.1123.3-176.4-32.336.7000113.2N84 I165 R169N84-P131 VanDerWaalsContact OD1-CA 3.29Å; N84-P131 WeakPolarHBondContact OD1-CA 3.43Å; P131-I165 HydrophobicContact CB-CG1 4.38Å; P131-R169 WeakPolarHBondContact O-CD 3.28Å; P131-R169 PolarHBondContact O-NE 3.44Å
132A98.6Very high95.5Very high0 Ų051 Ų510%031%0.314CS..  trans-156.3158.7-175.500000110.1T83 N84 I123 F125 A130 R169T83-A132 WeakPolarHBondContact CA-O 3.23Å; T83-A132 PolarHBondContact OG1-O 3.45Å; T83-A132 VanDerWaalsContact OG1-O 3.1Å; N84-A132 PolarHBondContact N-O 2.92Å; N84-A132 PolarHBondContact OD1-N 3.43Å; N84-A132 PolarHBondContact OD1-O 2.97Å; N84-A132 VanDerWaalsContact OD1-O 3.1Å; I123-A132 HydrophobicContact CG2-CB 4.09Å; F125-A132 HydrophobicContact CB-CB 3.62Å; F125-A132 HydrophobicContact CG-CB 4.33Å; A130-A132 PolarHBondContact O-N 2.79Å; A132-R169 WeakPolarHBondContact CA-O 3.42Å; A132-R169 HydrophobicContact CB-CB 4.14Å
133G97.9Very high95.3Very high0 Ų040.7 Ų40.70%027%0.269CS..EExtended strand (participates in β ladder)trans-160.8168.4174.100000113.4S82 R169 M170 Y171S82-G133 CarbonylContact O-C 3.48Å; S82-G133 WeakPolarHBondContact O-CA 3.39Å; G133-R169 PolarHBondContact N-O 3.46Å; G133-R169 VanDerWaalsContact N-O 3.09Å; G133-M170 VanDerWaalsContact O-CA 3.25Å; G133-M170 WeakPolarHBondContact O-CA 3.48Å; G133-Y171 PolarHBondContact O-N 3.38Å
134F97.4Very high94.9Very high108 Ų10840.6 Ų40.647%0.47427%0.272SS..EExtended strand (participates in β ladder)trans-149.8153.417357.9-90.3000110S82 I123 Y171S82-F134 PolarHBondContact N-O 2.93Å; S82-F134 PolarHBondContact O-N 2.88Å; I123-F134 HydrophobicContact CD1-CD1 4.16Å; I123-F134 HydrophobicContact CD1-CE1 3.77Å; I123-F134 HydrophobicContact CG1-CE1 4.12Å; I123-F134 HydrophobicContact CG2-CE1 4.42Å; F134-Y171 CarbonylContact C-O 3.5Å; F134-Y171 WeakPolarHBondContact CA-O 3.43Å
135G96.4Very high94.3Very high11 Ų1138.6 Ų38.611%0.11327%0.272CS..EExtended strand (participates in β ladder)trans-167.4-168.2-177.700000113.7T80 Y171 I172 N173T80-G135 CarbonylContact O-C 3.55Å; T80-G135 WeakPolarHBondContact O-CA 3.36Å; G135-Y171 PolarHBondContact N-O 3.42Å; G135-I172 WeakPolarHBondContact O-CA 3.47Å; G135-N173 PolarHBondContact O-N 2.81Å
136Q95.8Very high93.8Very high62 Ų6244 Ų4429%0.2930%0.298SS..EExtended strand (participates in β ladder)trans-145.2142.9178.458-172.4-3.900111.2F79 T80 L138 N173F79-Q136 WeakPolarHBondContact CA-O 3.41Å; F79-Q136 WeakPolarHBondContact CD2-O 3.44Å; T80-Q136 PolarHBondContact N-O 3.44Å; T80-Q136 PolarHBondContact O-N 2.78Å; T80-Q136 WeakPolarHBondContact OG1-CG 3.24Å; T80-Q136 PolarHBondContact OG1-NE2 2.83Å; Q136-L138 HydrophobicContact CG-CD1 4.21Å; Q136-L138 HydrophobicContact CG-CG 4.38Å; Q136-N173 CarbonylContact C-O 3.45Å; Q136-N173 WeakPolarHBondContact CA-O 3.48Å; Q136-N173 HydrophobicContact CB-CB 4.03Å; Q136-N173 WeakPolarHBondContact CB-O 3.44Å
137L96.3Very high93.6Very high0 Ų046 Ų460%029%0.285CS..EExtended strand (participates in β ladder)trans-108.5101.5165.5179.362000107.9P77 F79 I102 L106 V143 L155 I172 N173 F174 V175P77-L137 HydrophobicContact CB-CD1 4.22Å; F79-L137 HydrophobicContact CB-CD1 4.03Å; F79-L137 HydrophobicContact CD2-CB 4.17Å; F79-L137 HydrophobicContact CD2-CD1 4.46Å; I102-L137 HydrophobicContact CG2-CD1 4.08Å; L106-L137 HydrophobicContact CD1-CD1 4.44Å; L106-L137 HydrophobicContact CD1-CD2 4.29Å; L106-L137 HydrophobicContact CD2-CD2 4.48Å; L137-V143 HydrophobicContact CD2-CG1 4.28Å; L137-V143 HydrophobicContact CG-CG1 4.5Å; L137-L155 HydrophobicContact CD2-CD1 4.25Å; L137-I172 HydrophobicContact CB-CG2 4.5Å; L137-N173 PolarHBondContact N-O 3.03Å; L137-F174 HydrophobicContact CB-CD1 3.99Å; L137-F174 HydrophobicContact CB-CE1 4.21Å; L137-F174 HydrophobicContact CD2-CD1 3.89Å; L137-F174 HydrophobicContact CD2-CE1 3.78Å; L137-F174 HydrophobicContact CG-CD1 4.39Å; L137-V175 PolarHBondContact O-N 3.47Å
138L94.3Very high93.6Very high28 Ų2844.1 Ų44.115%0.14726%0.257CS..EExtended strand (participates in β ladder)trans-82.4131.9172.2-64.1142.7000107.8P77 I78 Q136 V175 M177P77-L138 CarbonylContact C-O 3.57Å; P77-L138 WeakPolarHBondContact CA-O 3.5Å; I78-L138 HydrophobicContact CB-CB 4.32Å; I78-L138 HydrophobicContact CB-CD1 4.15Å; I78-L138 HydrophobicContact CG2-CD1 4.18Å; I78-L138 PolarHBondContact N-O 2.91Å; I78-L138 PolarHBondContact O-N 2.86Å; Q136-L138 HydrophobicContact CG-CD1 4.21Å; Q136-L138 HydrophobicContact CG-CG 4.38Å; L138-V175 WeakPolarHBondContact CA-O 3.45Å; L138-V175 HydrophobicContact CD2-CB 3.84Å; L138-V175 HydrophobicContact CD2-CG1 3.92Å; L138-V175 HydrophobicContact CD2-CG2 4.34Å; L138-V175 HydrophobicContact CG-CB 4.44Å; L138-M177 HydrophobicContact CB-CG 4.17Å; L138-M177 HydrophobicContact CD2-CE 4.42Å; L138-M177 HydrophobicContact CD2-CG 3.9Å; L138-M177 HydrophobicContact CD2-SD 3.53Å; L138-M177 VanDerWaalsContact CD2-SD 3.53Å
139S93.2Very high93.4Very high0 Ų050 Ų500%027%0.272CS..EExtended strand (participates in β ladder)trans-151.1144.3172.6-148.50000113.1M76 K108 G141 V175 D176 M177M76-S139 WeakPolarHBondContact O-CA 3.24Å; M76-S139 PolarHBondContact O-OG 2.86Å; K108-S139 PolarHBondContact NZ-OG 3.42Å; S139-G141 WeakPolarHBondContact CB-O 3.45Å; S139-G141 PolarHBondContact O-N 3.09Å; S139-G141 VanDerWaalsContact O-N 3.09Å; S139-G141 PolarHBondContact OG-O 3.5Å; S139-V175 PolarHBondContact N-O 2.93Å; S139-D176 WeakPolarHBondContact O-CA 3.15Å; S139-M177 PolarHBondContact O-N 3.04Å
140L89.4Confident93.4Very high3 Ų346.6 Ų46.62%0.01626%0.259CS..SBendtrans-75.288.3167.2-64.5176.4000110P74 M76 K108 M177 R178 V182 F189P74-L140 HydrophobicContact CB-CB 3.63Å; P74-L140 HydrophobicContact CB-CD1 3.55Å; P74-L140 HydrophobicContact CB-CG 4.2Å; P74-L140 HydrophobicContact CG-CB 3.96Å; P74-L140 HydrophobicContact CG-CD1 4.48Å; M76-L140 HydrophobicContact CB-CD1 4.03Å; M76-L140 HydrophobicContact CB-CG 4.36Å; M76-L140 HydrophobicContact CE-CG 4.45Å; M76-L140 PolarHBondContact O-N 3.01Å; K108-L140 PolarHBondContact NZ-O 3.31Å; L140-M177 HydrophobicContact CD2-CB 3.74Å; L140-M177 WeakPolarHBondContact CD2-O 3.46Å; L140-R178 WeakPolarHBondContact CD2-O 3.39Å; L140-V182 HydrophobicContact CD2-CB 4.38Å; L140-V182 HydrophobicContact CD2-CG2 3.79Å; L140-V182 HydrophobicContact CG-CG2 4.36Å; L140-F189 HydrophobicContact CD1-CB 3.63Å; L140-F189 HydrophobicContact CD1-CD1 3.97Å; L140-F189 HydrophobicContact CD1-CD2 3.63Å; L140-F189 HydrophobicContact CD1-CE2 4.2Å; L140-F189 HydrophobicContact CD1-CG 3.48Å; L140-F189 VanDerWaalsContact CD1-CG 3.48Å
141G88.3Confident93.3Very high19 Ų1945.1 Ų45.120%0.19625%0.245CC..SBendtrans67.2171.1-171.700000114K108 S139 V143 D176K108-G141 PolarHBondContact NZ-O 3.12Å; K108-G141 VanDerWaalsContact NZ-O 3.09Å; S139-G141 WeakPolarHBondContact CB-O 3.45Å; S139-G141 PolarHBondContact O-N 3.09Å; S139-G141 VanDerWaalsContact O-N 3.09Å; S139-G141 PolarHBondContact OG-O 3.5Å; G141-V143 VanDerWaalsContact C-N 3.26Å; G141-V143 PolarHBondContact O-N 2.94Å; G141-D176 WeakPolarHBondContact CA-OD1 3.19Å; G141-D176 PolarHBondContact N-OD1 3.41Å
142G89.1Confident93.2Very high12 Ų1244 Ų4412%0.12424%0.238CC..SBendtrans88.3-12-179.200000114.4H151G142-H151 PolarHBondContact O-NE2 3.08Å
143V91.6Very high93.1Very high1 Ų147.1 Ų47.11%0.00626%0.264CS..  trans-103.1167166.4-63.90000110.1Q66 L106 L137 G141 N148 F174 D176Q66-V143 PolarHBondContact NE2-O 3.04Å; L106-V143 HydrophobicContact CD2-CG1 4.18Å; L137-V143 HydrophobicContact CD2-CG1 4.28Å; L137-V143 HydrophobicContact CG-CG1 4.5Å; G141-V143 VanDerWaalsContact C-N 3.26Å; G141-V143 PolarHBondContact O-N 2.94Å; V143-N148 WeakPolarHBondContact CA-OD1 3.16Å; V143-F174 HydrophobicContact CB-CB 4.23Å; V143-F174 HydrophobicContact CG1-CB 4.39Å; V143-F174 HydrophobicContact CG1-CD1 4.02Å; V143-D176 HydrophobicContact CG2-CB 3.78Å
144G87.9Confident93.1Very high14 Ų1451.8 Ų51.814%0.14428%0.284CS..SBendtrans110.1153.6179.100000114.3K147 N148G144-K147 WeakPolarHBondContact O-CB 3.46Å; G144-K147 PolarHBondContact O-N 2.82Å; G144-N148 WeakPolarHBondContact CA-ND2 3.49Å; G144-N148 VanDerWaalsContact N-CG 3.32Å; G144-N148 PolarHBondContact N-ND2 3.45Å; G144-N148 PolarHBondContact N-OD1 3.39Å
145G85.6Confident93.1Very high63 Ų6346.7 Ų46.765%0.64926%0.262SS*.Hα-helixtrans52-135.8174.900000114.1K147 N148G145-K147 VanDerWaalsContact C-N 3.27Å; G145-K147 PolarHBondContact O-N 3.29Å; G145-N148 PolarHBondContact O-N 2.76Å
146E86.9Confident93.2Very high160 Ų16048.3 Ų48.375%0.74827%0.266SS*.Hα-helixtrans-64.7-26.8-177.6-63.1-176158.800113.9N148 R149E146-N148 VanDerWaalsContact C-N 3.25Å; E146-N148 PolarHBondContact O-N 2.74Å; E146-R149 WeakPolarHBondContact O-CB 3.44Å; E146-R149 PolarHBondContact O-N 3.23Å; E146-R149 VanDerWaalsContact O-N 3.08Å
147K91.5Very high93.4Very high119 Ų11951.2 Ų51.252%0.51728%0.278SS..Hα-helixtrans-60.2-39.3178.8-62.9179.6-178.2175.90111G144 G145 R149 S150 H151G144-K147 WeakPolarHBondContact O-CB 3.46Å; G144-K147 PolarHBondContact O-N 2.82Å; G145-K147 VanDerWaalsContact C-N 3.27Å; G145-K147 PolarHBondContact O-N 3.29Å; K147-R149 PolarHBondContact O-N 3.3Å; K147-S150 PolarHBondContact O-N 2.91Å; K147-S150 VanDerWaalsContact O-N 3.12Å; K147-H151 PolarHBondContact O-CD2 3.37Å; K147-H151 VanDerWaalsContact O-CG 3.24Å; K147-H151 PolarHBondContact O-N 3.37Å
148N94.8Very high93.5Very high33 Ų3353 Ų5318%0.17629%0.286CS..Hα-helixtrans-59.7-32.7178.5-71.3-6.4000112V143 G144 G145 E146 H151 S152 F174V143-N148 WeakPolarHBondContact CA-OD1 3.16Å; G144-N148 WeakPolarHBondContact CA-ND2 3.49Å; G144-N148 VanDerWaalsContact N-CG 3.32Å; G144-N148 PolarHBondContact N-ND2 3.45Å; G144-N148 PolarHBondContact N-OD1 3.39Å; G145-N148 PolarHBondContact O-N 2.76Å; E146-N148 VanDerWaalsContact C-N 3.25Å; E146-N148 PolarHBondContact O-N 2.74Å; N148-H151 PolarHBondContact O-N 2.88Å; N148-S152 VanDerWaalsContact O-CB 3.28Å; N148-S152 WeakPolarHBondContact O-CB 3.49Å; N148-S152 PolarHBondContact O-N 3.03Å; N148-S152 PolarHBondContact O-OG 2.96Å; N148-F174 HydrophobicContact CB-CD2 4.13Å; N148-F174 HydrophobicContact CB-CE2 4.49Å; N148-F174 HydrophobicContact CB-CG 4.25Å; N148-F174 WeakPolarHBondContact ND2-CB 3.17Å
149R94.2Very high93.7Very high189 Ų18951.7 Ų51.771%0.71328%0.279SS*.Hα-helixtrans-62.9-46.5176.1-171.3-176.9-66.8146.9-0.4111.5E146 K147 A153E146-R149 WeakPolarHBondContact O-CB 3.44Å; E146-R149 PolarHBondContact O-N 3.23Å; E146-R149 VanDerWaalsContact O-N 3.08Å; K147-R149 PolarHBondContact O-N 3.3Å; R149-A153 PolarHBondContact O-N 3.46Å; R149-A153 VanDerWaalsContact O-N 3.12Å
150S95.2Very high93.9Very high58 Ų5854 Ų5441%0.40629%0.293SS..Hα-helixtrans-64.6-42.8175.3165.50000111.5K147 A153 K154K147-S150 PolarHBondContact O-N 2.91Å; K147-S150 VanDerWaalsContact O-N 3.12Å; S150-A153 PolarHBondContact O-N 3.44Å; S150-K154 PolarHBondContact O-N 2.94Å
151H96.4Very high94.3Very high9 Ų959 Ų594%0.04232%0.32CS..Hα-helixtrans-64-45.2179.2-64-25.7000112.1M105 G142 K147 N148 A153 K154 L155 F174M105-H151 VanDerWaalsContact CE-CA 3.41Å; M105-H151 HydrophobicContact CE-CB 3.4Å; M105-H151 VanDerWaalsContact CE-CB 3.4Å; M105-H151 WeakPolarHBondContact CE-O 3.27Å; M105-H151 PolarHBondContact O-CE1 3.32Å; M105-H151 VanDerWaalsContact O-CE1 3.23Å; G142-H151 PolarHBondContact O-NE2 3.08Å; K147-H151 PolarHBondContact O-CD2 3.37Å; K147-H151 VanDerWaalsContact O-CG 3.24Å; K147-H151 PolarHBondContact O-N 3.37Å; N148-H151 PolarHBondContact O-N 2.88Å; H151-A153 PolarHBondContact O-N 2.95Å; H151-K154 PolarHBondContact O-N 3.26Å; H151-L155 WeakPolarHBondContact O-CB 3.39Å; H151-L155 PolarHBondContact O-N 3.1Å; H151-F174 HydrophobicContact CB-CE1 3.63Å; H151-F174 HydrophobicContact CB-CZ 3.98Å
152S96.8Very high94.8Very high35 Ų3560.1 Ų60.125%0.24533%0.331CS..Hα-helixtrans-56.4-48.4174.4-67.60000111.3N148 K154 L155 F156 F174N148-S152 VanDerWaalsContact O-CB 3.28Å; N148-S152 WeakPolarHBondContact O-CB 3.49Å; N148-S152 PolarHBondContact O-N 3.03Å; N148-S152 PolarHBondContact O-OG 2.96Å; S152-K154 VanDerWaalsContact C-N 3.3Å; S152-K154 PolarHBondContact O-N 2.97Å; S152-L155 PolarHBondContact O-N 2.91Å; S152-F156 VanDerWaalsContact O-CB 3.24Å; S152-F156 WeakPolarHBondContact O-CB 3.42Å; S152-F156 WeakPolarHBondContact O-CD2 3.5Å; S152-F156 WeakPolarHBondContact O-CG 3.49Å; S152-F156 PolarHBondContact O-N 3.48Å; S152-F174 WeakPolarHBondContact OG-CE2 3.41Å; S152-F174 WeakPolarHBondContact OG-CZ 3.45Å
153A97Very high95.2Very high65 Ų6560.2 Ų60.254%0.53733%0.329SS..Hα-helixtrans-57.4-43.7-179.500000112.2R149 S150 H151 K157R149-A153 PolarHBondContact O-N 3.46Å; R149-A153 VanDerWaalsContact O-N 3.12Å; S150-A153 PolarHBondContact O-N 3.44Å; H151-A153 PolarHBondContact O-N 2.95Å; A153-K157 WeakPolarHBondContact O-CB 3.35Å; A153-K157 PolarHBondContact O-N 2.96Å; A153-K157 VanDerWaalsContact O-N 3.14Å
154K97.7Very high95.5Very high99 Ų9962.6 Ų62.643%0.4335%0.353SS..Hα-helixtrans-69.7-47.9179.6-69.7174.3-178.3-179.80112.5L101 M105 S150 H151 S152 K157 H158L101-K154 HydrophobicContact CD1-CB 4.4Å; M105-K154 HydrophobicContact CE-CB 4.43Å; M105-K154 HydrophobicContact CG-CB 4.25Å; M105-K154 HydrophobicContact CG-CD 3.57Å; M105-K154 HydrophobicContact SD-CB 3.54Å; M105-K154 VanDerWaalsContact SD-CB 3.54Å; M105-K154 HydrophobicContact SD-CD 4.02Å; M105-K154 HydrophobicContact SD-CG 4.45Å; S150-K154 PolarHBondContact O-N 2.94Å; H151-K154 PolarHBondContact O-N 3.26Å; S152-K154 VanDerWaalsContact C-N 3.3Å; S152-K154 PolarHBondContact O-N 2.97Å; K154-K157 PolarHBondContact O-N 3.48Å; K154-H158 WeakPolarHBondContact O-CB 3.39Å; K154-H158 PolarHBondContact O-N 3.09Å
155L97.7Very high96Very high0 Ų061.9 Ų61.90%035%0.346CS..Hα-helixtrans-65.1-43.8179.4-80.4166000112.1F79 L101 I102 M105 L137 H151 S152 K157 H158 L159 I172 F174F79-L155 HydrophobicContact CZ-CD2 4.38Å; L101-L155 HydrophobicContact CD2-CD2 4.22Å; I102-L155 HydrophobicContact CG1-CD2 4.28Å; M105-L155 HydrophobicContact CE-CD1 3.78Å; M105-L155 HydrophobicContact CE-CG 3.72Å; M105-L155 HydrophobicContact SD-CD2 4.5Å; M105-L155 HydrophobicContact SD-CG 4.01Å; L137-L155 HydrophobicContact CD2-CD1 4.25Å; H151-L155 WeakPolarHBondContact O-CB 3.39Å; H151-L155 PolarHBondContact O-N 3.1Å; S152-L155 PolarHBondContact O-N 2.91Å; L155-K157 VanDerWaalsContact C-N 3.35Å; L155-K157 PolarHBondContact O-N 3.18Å; L155-H158 PolarHBondContact O-N 3.27Å; L155-L159 WeakPolarHBondContact O-CB 3.47Å; L155-L159 VanDerWaalsContact O-CG 3.28Å; L155-L159 WeakPolarHBondContact O-CG 3.45Å; L155-L159 PolarHBondContact O-N 2.9Å; L155-I172 HydrophobicContact CB-CD1 3.89Å; L155-I172 HydrophobicContact CD1-CD1 4.17Å; L155-F174 HydrophobicContact CD1-CE1 4.04Å; L155-F174 HydrophobicContact CD1-CZ 4.14Å
156F98.3Very high96.6Very high46 Ų4661.3 Ų61.320%0.20233%0.331CS..Hα-helixtrans-63.9-43.7179.4-82.1-127.8000110.3S152 H158 L159 T160 G167 M170 I172S152-F156 VanDerWaalsContact O-CB 3.24Å; S152-F156 WeakPolarHBondContact O-CB 3.42Å; S152-F156 WeakPolarHBondContact O-CD2 3.5Å; S152-F156 WeakPolarHBondContact O-CG 3.49Å; S152-F156 PolarHBondContact O-N 3.48Å; F156-H158 VanDerWaalsContact C-N 3.35Å; F156-H158 PolarHBondContact O-N 2.7Å; F156-L159 PolarHBondContact O-N 3.28Å; F156-T160 WeakPolarHBondContact O-CB 3.33Å; F156-T160 PolarHBondContact O-N 3Å; F156-T160 PolarHBondContact O-OG1 3.22Å; F156-G167 WeakPolarHBondContact CD1-O 3.4Å; F156-G167 WeakPolarHBondContact CE1-O 3.34Å; F156-M170 HydrophobicContact CB-CE 4.3Å; F156-M170 HydrophobicContact CD1-CB 4.37Å; F156-M170 HydrophobicContact CD1-CE 3.92Å; F156-M170 HydrophobicContact CE1-CB 3.83Å; F156-M170 HydrophobicContact CG-CE 4.2Å; F156-M170 HydrophobicContact CZ-CB 4.04Å; F156-M170 WeakPolarHBondContact CZ-O 3.46Å; F156-I172 HydrophobicContact CD2-CD1 3.91Å; F156-I172 HydrophobicContact CE2-CB 4.23Å; F156-I172 HydrophobicContact CE2-CD1 3.62Å; F156-I172 HydrophobicContact CE2-CG1 3.78Å; F156-I172 HydrophobicContact CZ-CG1 4.47Å
157K98.4Very high97Very high123 Ų12355.4 Ų55.454%0.53531%0.313SS..Hα-helixtrans-57.7-48.5174.5-167-166.5-172.6-42.10111.4A153 K154 L155 L159 T160 D161A153-K157 WeakPolarHBondContact O-CB 3.35Å; A153-K157 PolarHBondContact O-N 2.96Å; A153-K157 VanDerWaalsContact O-N 3.14Å; K154-K157 PolarHBondContact O-N 3.48Å; L155-K157 VanDerWaalsContact C-N 3.35Å; L155-K157 PolarHBondContact O-N 3.18Å; K157-L159 PolarHBondContact O-N 3.19Å; K157-T160 PolarHBondContact O-N 3.24Å; K157-D161 VanDerWaalsContact NZ-CG 3.32Å; K157-D161 IonicContact NZ-OD1 2.56Å; K157-D161 PolarHBondContact NZ-OD1 3.09Å; K157-D161 IonicContact NZ-OD2 2.63Å; K157-D161 PolarHBondContact NZ-OD2 3.3Å; K157-D161 WeakPolarHBondContact O-CB 3.42Å; K157-D161 PolarHBondContact O-N 2.96Å
158H98.4Very high97.3Very high37 Ų3756 Ų5617%0.17132%0.322CS..Hα-helixtrans-60.7-43.4-180-177.177.1000113.1F94 S97 T98 L101 K154 L155 F156 G162F94-H158 AromaticContact CD2-NE2 3.92Å; F94-H158 AromaticContact CE2-CD2 3.71Å; F94-H158 AromaticContact CE2-CE1 3.77Å; F94-H158 AromaticContact CE2-NE2 3.23Å; F94-H158 WeakPolarHBondContact CE2-NE2 3.34Å; F94-H158 AromaticContact CZ-CD2 3.65Å; F94-H158 AromaticContact CZ-NE2 3.51Å; S97-H158 PolarHBondContact OG-CE1 3.22Å; T98-H158 PolarHBondContact OG1-NE2 2.92Å; L101-H158 HydrophobicContact CD2-CB 3.39Å; L101-H158 VanDerWaalsContact CD2-CG 3.47Å; K154-H158 WeakPolarHBondContact O-CB 3.39Å; K154-H158 PolarHBondContact O-N 3.09Å; L155-H158 PolarHBondContact O-N 3.27Å; F156-H158 VanDerWaalsContact C-N 3.35Å; F156-H158 PolarHBondContact O-N 2.7Å; H158-G162 PolarHBondContact O-N 2.85Å
159L98.4Very high97.5Very high0 Ų055.8 Ų55.80%032%0.319CS..Hα-helixtrans-69.8-38.6177.2-67.7165.6000112F79 F81 F94 L155 F156 K157 L163 M170 I172F79-L159 HydrophobicContact CZ-CD1 4.28Å; F81-L159 HydrophobicContact CD1-CD2 4.09Å; F81-L159 HydrophobicContact CD2-CD1 4.23Å; F81-L159 HydrophobicContact CE1-CD1 4.35Å; F81-L159 HydrophobicContact CE1-CD2 4.06Å; F81-L159 HydrophobicContact CE2-CD1 3.84Å; F81-L159 HydrophobicContact CG-CD2 4.48Å; F81-L159 HydrophobicContact CZ-CD1 3.9Å; F81-L159 HydrophobicContact CZ-CD2 4.44Å; F94-L159 HydrophobicContact CE1-CD2 4.36Å; F94-L159 HydrophobicContact CZ-CD2 4.16Å; L155-L159 WeakPolarHBondContact O-CB 3.47Å; L155-L159 VanDerWaalsContact O-CG 3.28Å; L155-L159 WeakPolarHBondContact O-CG 3.45Å; L155-L159 PolarHBondContact O-N 2.9Å; F156-L159 PolarHBondContact O-N 3.28Å; K157-L159 PolarHBondContact O-N 3.19Å; L159-L163 HydrophobicContact CD2-CD1 3.87Å; L159-L163 WeakPolarHBondContact O-CA 3.43Å; L159-L163 VanDerWaalsContact O-CB 3.27Å; L159-L163 WeakPolarHBondContact O-CB 3.3Å; L159-L163 PolarHBondContact O-N 2.67Å; L159-M170 HydrophobicContact CB-CE 4.24Å; L159-M170 HydrophobicContact CB-SD 3.67Å; L159-M170 HydrophobicContact CD1-SD 3.89Å; L159-M170 HydrophobicContact CG-SD 4.42Å; L159-I172 HydrophobicContact CD1-CD1 3.93Å
160T98.4Very high97.6Very high49 Ų4947 Ų4730%0.30129%0.286SS..Hα-helixtrans-64.8-49174.9-65.60000111.1F156 K157 G164 I165F156-T160 WeakPolarHBondContact O-CB 3.33Å; F156-T160 PolarHBondContact O-N 3Å; F156-T160 PolarHBondContact O-OG1 3.22Å; K157-T160 PolarHBondContact O-N 3.24Å; T160-G164 VanDerWaalsContact O-CA 3.24Å; T160-G164 WeakPolarHBondContact O-CA 3.21Å; T160-G164 PolarHBondContact O-N 2.89Å; T160-I165 WeakPolarHBondContact CA-O 3.4Å; T160-I165 WeakPolarHBondContact CB-O 3.5Å; T160-I165 PolarHBondContact OG1-O 3.11Å
161D98.1Very high97.7Very high109 Ų10951.7 Ų51.758%0.58330%0.295SS*.Hα-helixtrans-65.1-41.6-179.2-66.3-11.8000111.6K157K157-D161 VanDerWaalsContact NZ-CG 3.32Å; K157-D161 IonicContact NZ-OD1 2.56Å; K157-D161 PolarHBondContact NZ-OD1 3.09Å; K157-D161 IonicContact NZ-OD2 2.63Å; K157-D161 PolarHBondContact NZ-OD2 3.3Å; K157-D161 WeakPolarHBondContact O-CB 3.42Å; K157-D161 PolarHBondContact O-N 2.96Å
162G97.8Very high97.7Very high41 Ų4152.1 Ų52.142%0.42330%0.298SS..Hα-helixtrans-88.3-29.7-173.400000115.3H158H158-G162 PolarHBondContact O-N 2.85Å
163L97.9Very high97.6Very high15 Ų1552.9 Ų52.98%0.07930%0.299CS..Hα-helixtrans-118.7-3.5-175.4-55.8-178.7000113.7T83 V85 I90 F94 L159 I165T83-L163 HydrophobicContact CG2-CD1 4.5Å; V85-L163 HydrophobicContact CG2-CB 4.3Å; V85-L163 WeakPolarHBondContact CG2-O 3.45Å; I90-L163 HydrophobicContact CG1-CD2 4Å; F94-L163 HydrophobicContact CD1-CD2 3.91Å; F94-L163 HydrophobicContact CD1-CG 4.36Å; F94-L163 HydrophobicContact CE1-CD1 3.74Å; F94-L163 HydrophobicContact CE1-CD2 3.7Å; F94-L163 HydrophobicContact CE1-CG 3.65Å; F94-L163 HydrophobicContact CE2-CG 4.46Å; F94-L163 HydrophobicContact CG-CD2 4.45Å; F94-L163 HydrophobicContact CZ-CD1 4.11Å; F94-L163 HydrophobicContact CZ-CD2 4.1Å; F94-L163 HydrophobicContact CZ-CG 3.71Å; L159-L163 HydrophobicContact CD2-CD1 3.87Å; L159-L163 WeakPolarHBondContact O-CA 3.43Å; L159-L163 VanDerWaalsContact O-CB 3.27Å; L159-L163 WeakPolarHBondContact O-CB 3.3Å; L159-L163 PolarHBondContact O-N 2.67Å; L163-I165 HydrophobicContact CB-CD1 3.97Å; L163-I165 HydrophobicContact CB-CG1 3.94Å; L163-I165 HydrophobicContact CD1-CD1 4.06Å; L163-I165 PolarHBondContact O-N 3.16Å
164G97.9Very high97.5Very high50 Ų5051.6 Ų51.652%0.51528%0.282SS..  trans68.617.8179.900000114.2T160 P166T160-G164 VanDerWaalsContact O-CA 3.24Å; T160-G164 WeakPolarHBondContact O-CA 3.21Å; T160-G164 PolarHBondContact O-N 2.89Å; G164-P166 WeakPolarHBondContact O-CD 3.42Å
165I98.4Very high97.2Very high0 Ų048.9 Ų48.90%027%0.273CS..  trans-83.9122.7-179.5-53.5171.2000109.2F81 T83 V85 P131 T160 L163 G167 R169 M170F81-I165 HydrophobicContact CE1-CD1 3.81Å; F81-I165 HydrophobicContact CZ-CD1 4.24Å; T83-I165 VanDerWaalsContact OG1-CD1 3.28Å; T83-I165 WeakPolarHBondContact OG1-CD1 3.2Å; V85-I165 HydrophobicContact CG2-CD1 4.09Å; V85-I165 HydrophobicContact CG2-CG1 3.81Å; P131-I165 HydrophobicContact CB-CG1 4.38Å; T160-I165 WeakPolarHBondContact CA-O 3.4Å; T160-I165 WeakPolarHBondContact CB-O 3.5Å; T160-I165 PolarHBondContact OG1-O 3.11Å; L163-I165 HydrophobicContact CB-CD1 3.97Å; L163-I165 HydrophobicContact CB-CG1 3.94Å; L163-I165 HydrophobicContact CD1-CD1 4.06Å; L163-I165 PolarHBondContact O-N 3.16Å; I165-G167 PolarHBondContact O-N 3.3Å; I165-R169 HydrophobicContact CG2-CB 4.41Å; I165-M170 HydrophobicContact CB-CE 4.35Å; I165-M170 HydrophobicContact CB-CG 4.23Å; I165-M170 HydrophobicContact CB-SD 3.83Å; I165-M170 HydrophobicContact CD1-SD 4.33Å; I165-M170 HydrophobicContact CG2-CE 4.26Å; I165-M170 HydrophobicContact CG2-CG 3.38Å; I165-M170 HydrophobicContact CG2-SD 3.67Å
166P97.9Very high96.9Very high51 Ų5152.4 Ų52.433%0.33129%0.292SS..  trans-59.4138175.6-25.736.3000112.1G164 N168 R169G164-P166 WeakPolarHBondContact O-CD 3.42Å; P166-N168 VanDerWaalsContact CB-OD1 3.3Å; P166-N168 WeakPolarHBondContact CB-OD1 3.31Å; P166-N168 PolarHBondContact O-N 3.46Å; P166-R169 HydrophobicContact CB-CB 4.49Å; P166-R169 HydrophobicContact CB-CG 4.22Å; P166-R169 PolarHBondContact O-N 2.96Å
167G96.5Very high96.5Very high36 Ų3652.6 Ų52.637%0.37129%0.294SS..G310 helixtrans-56.1-27.7-177.600000114.7F156 I165 R169F156-G167 WeakPolarHBondContact CD1-O 3.4Å; F156-G167 WeakPolarHBondContact CE1-O 3.34Å; I165-G167 PolarHBondContact O-N 3.3Å; G167-R169 VanDerWaalsContact C-N 3.29Å; G167-R169 PolarHBondContact O-N 3.01Å
168N97.4Very high95.9Very high130 Ų13055.4 Ų55.470%0.69530%0.301SS*.G310 helixtrans-85.36.8176.967.5-23.9000114.2F125 P166F125-N168 WeakPolarHBondContact CE1-O 3.5Å; F125-N168 WeakPolarHBondContact CZ-O 3.42Å; P166-N168 VanDerWaalsContact CB-OD1 3.3Å; P166-N168 WeakPolarHBondContact CB-OD1 3.31Å; P166-N168 PolarHBondContact O-N 3.46Å
169R98.2Very high95.3Very high30 Ų3054.6 Ų54.611%0.11330%0.303CS..G310 helixtrans-120.727179.2-62-176.262.377.9-2.8112.2F125 T128 A130 P131 A132 G133 I165 P166 G167F125-R169 HydrophobicContact CD1-CB 4.3Å; F125-R169 HydrophobicContact CD1-CG 4.19Å; F125-R169 HydrophobicContact CG-CB 4.37Å; F125-R169 PolarHBondContact O-NH1 2.92Å; F125-R169 PolarHBondContact O-NH2 2.88Å; T128-R169 PolarHBondContact O-NH2 3.42Å; T128-R169 VanDerWaalsContact O-NH2 3.07Å; T128-R169 PolarHBondContact OG1-NH1 3.03Å; T128-R169 VanDerWaalsContact OG1-NH1 3.1Å; T128-R169 PolarHBondContact OG1-NH2 3.27Å; T128-R169 VanDerWaalsContact OG1-NH2 3.09Å; A130-R169 PolarHBondContact O-NH2 3.1Å; P131-R169 WeakPolarHBondContact O-CD 3.28Å; P131-R169 PolarHBondContact O-NE 3.44Å; A132-R169 WeakPolarHBondContact CA-O 3.42Å; A132-R169 HydrophobicContact CB-CB 4.14Å; G133-R169 PolarHBondContact N-O 3.46Å; G133-R169 VanDerWaalsContact N-O 3.09Å; I165-R169 HydrophobicContact CG2-CB 4.41Å; P166-R169 HydrophobicContact CB-CB 4.49Å; P166-R169 HydrophobicContact CB-CG 4.22Å; P166-R169 PolarHBondContact O-N 2.96Å; G167-R169 VanDerWaalsContact C-N 3.29Å; G167-R169 PolarHBondContact O-N 3.01Å
170M97.8Very high94.8Very high4 Ų458 Ų582%0.0233%0.327CS..EExtended strand (participates in β ladder)trans-134.2141.5180-64.8-177.1-75.700112.3F81 G133 F156 L159 I165F81-M170 HydrophobicContact CZ-CG 4.09Å; F81-M170 HydrophobicContact CZ-SD 3.95Å; G133-M170 VanDerWaalsContact O-CA 3.25Å; G133-M170 WeakPolarHBondContact O-CA 3.48Å; F156-M170 HydrophobicContact CB-CE 4.3Å; F156-M170 HydrophobicContact CD1-CB 4.37Å; F156-M170 HydrophobicContact CD1-CE 3.92Å; F156-M170 HydrophobicContact CE1-CB 3.83Å; F156-M170 HydrophobicContact CG-CE 4.2Å; F156-M170 HydrophobicContact CZ-CB 4.04Å; F156-M170 WeakPolarHBondContact CZ-O 3.46Å; L159-M170 HydrophobicContact CB-CE 4.24Å; L159-M170 HydrophobicContact CB-SD 3.67Å; L159-M170 HydrophobicContact CD1-SD 3.89Å; L159-M170 HydrophobicContact CG-SD 4.42Å; I165-M170 HydrophobicContact CB-CE 4.35Å; I165-M170 HydrophobicContact CB-CG 4.23Å; I165-M170 HydrophobicContact CB-SD 3.83Å; I165-M170 HydrophobicContact CD1-SD 4.33Å; I165-M170 HydrophobicContact CG2-CE 4.26Å; I165-M170 HydrophobicContact CG2-CG 3.38Å; I165-M170 HydrophobicContact CG2-SD 3.67Å
171Y97Very high94.3Very high156 Ų15660.2 Ų60.261%0.61234%0.337SS*.EExtended strand (participates in β ladder)trans-123.8137.5164.7-68.7-44.2000110.8F125 G133 F134 G135F125-Y171 AromaticContact CE2-CD2 3.9Å; F125-Y171 HydrophobicContact CE2-CD2 3.9Å; F125-Y171 AromaticContact CE2-CE2 3.68Å; F125-Y171 HydrophobicContact CE2-CE2 3.68Å; F125-Y171 HydrophobicContact CE2-CG 4.48Å; F125-Y171 HydrophobicContact CZ-CE1 4.45Å; F125-Y171 AromaticContact CZ-CE2 3.94Å; F125-Y171 HydrophobicContact CZ-CE2 3.94Å; F125-Y171 AromaticContact CZ-CZ 3.89Å; G133-Y171 PolarHBondContact O-N 3.38Å; F134-Y171 CarbonylContact C-O 3.5Å; F134-Y171 WeakPolarHBondContact CA-O 3.43Å; G135-Y171 PolarHBondContact N-O 3.42Å
172I96.2Very high93.7Very high18 Ų1855.6 Ų55.69%0.09231%0.313CS..EExtended strand (participates in β ladder)trans-129.1117.8172.9-59.3179.2000108.3F79 F81 G135 L137 L155 F156 L159 F174F79-I172 HydrophobicContact CE2-CD1 4.14Å; F79-I172 HydrophobicContact CE2-CG2 4.24Å; F79-I172 HydrophobicContact CZ-CD1 4.3Å; F81-I172 HydrophobicContact CE2-CG1 4.35Å; G135-I172 WeakPolarHBondContact O-CA 3.47Å; L137-I172 HydrophobicContact CB-CG2 4.5Å; L155-I172 HydrophobicContact CB-CD1 3.89Å; L155-I172 HydrophobicContact CD1-CD1 4.17Å; F156-I172 HydrophobicContact CD2-CD1 3.91Å; F156-I172 HydrophobicContact CE2-CB 4.23Å; F156-I172 HydrophobicContact CE2-CD1 3.62Å; F156-I172 HydrophobicContact CE2-CG1 3.78Å; F156-I172 HydrophobicContact CZ-CG1 4.47Å; L159-I172 HydrophobicContact CD1-CD1 3.93Å; I172-F174 HydrophobicContact CB-CE2 4.2Å; I172-F174 HydrophobicContact CB-CZ 4.45Å; I172-F174 HydrophobicContact CG2-CD2 4.39Å; I172-F174 HydrophobicContact CG2-CE1 4.36Å; I172-F174 HydrophobicContact CG2-CE2 3.95Å; I172-F174 HydrophobicContact CG2-CZ 3.94Å
173N94.3Very high92.9Very high52 Ų5256.6 Ų56.628%0.27832%0.323SS..EExtended strand (participates in β ladder)trans-80.8123.9170.9-65.1-24.5000109.1G135 Q136 L137 V175G135-N173 PolarHBondContact O-N 2.81Å; Q136-N173 CarbonylContact C-O 3.45Å; Q136-N173 WeakPolarHBondContact CA-O 3.48Å; Q136-N173 HydrophobicContact CB-CB 4.03Å; Q136-N173 WeakPolarHBondContact CB-O 3.44Å; L137-N173 PolarHBondContact N-O 3.03Å; N173-V175 HydrophobicContact CB-CG2 4.28Å
174F94.5Very high92.2Very high38 Ų3861.7 Ų61.717%0.16734%0.342CS..EExtended strand (participates in β ladder)trans-96.8117.6171.3-65.9-90.2000108.4L137 V143 N148 H151 S152 L155 I172L137-F174 HydrophobicContact CB-CD1 3.99Å; L137-F174 HydrophobicContact CB-CE1 4.21Å; L137-F174 HydrophobicContact CD2-CD1 3.89Å; L137-F174 HydrophobicContact CD2-CE1 3.78Å; L137-F174 HydrophobicContact CG-CD1 4.39Å; V143-F174 HydrophobicContact CB-CB 4.23Å; V143-F174 HydrophobicContact CG1-CB 4.39Å; V143-F174 HydrophobicContact CG1-CD1 4.02Å; N148-F174 HydrophobicContact CB-CD2 4.13Å; N148-F174 HydrophobicContact CB-CE2 4.49Å; N148-F174 HydrophobicContact CB-CG 4.25Å; N148-F174 WeakPolarHBondContact ND2-CB 3.17Å; H151-F174 HydrophobicContact CB-CE1 3.63Å; H151-F174 HydrophobicContact CB-CZ 3.98Å; S152-F174 WeakPolarHBondContact OG-CE2 3.41Å; S152-F174 WeakPolarHBondContact OG-CZ 3.45Å; L155-F174 HydrophobicContact CD1-CE1 4.04Å; L155-F174 HydrophobicContact CD1-CZ 4.14Å; I172-F174 HydrophobicContact CB-CE2 4.2Å; I172-F174 HydrophobicContact CB-CZ 4.45Å; I172-F174 HydrophobicContact CG2-CD2 4.39Å; I172-F174 HydrophobicContact CG2-CE1 4.36Å; I172-F174 HydrophobicContact CG2-CE2 3.95Å; I172-F174 HydrophobicContact CG2-CZ 3.94Å
175V92.2Very high91.6Very high42 Ų4266.3 Ų66.326%0.25536%0.355SS..EExtended strand (participates in β ladder)trans-118.5112.8-171.4-173.60000109L137 L138 S139 N173 M177L137-V175 PolarHBondContact O-N 3.47Å; L138-V175 WeakPolarHBondContact CA-O 3.45Å; L138-V175 HydrophobicContact CD2-CB 3.84Å; L138-V175 HydrophobicContact CD2-CG1 3.92Å; L138-V175 HydrophobicContact CD2-CG2 4.34Å; L138-V175 HydrophobicContact CG-CB 4.44Å; S139-V175 PolarHBondContact N-O 2.93Å; N173-V175 HydrophobicContact CB-CG2 4.28Å; V175-M177 HydrophobicContact CG1-CG 4.39Å; V175-M177 HydrophobicContact CG1-SD 3.66Å; V175-M177 PolarHBondContact O-N 3.28Å
176D91.1Very high90.9Very high74 Ų7470.9 Ų70.940%0.39640%0.402SS..EExtended strand (participates in β ladder)trans-79115.2172.2-159.93000108.8Q66 S139 G141 V143Q66-D176 PolarHBondContact NE2-OD2 3.09Å; S139-D176 WeakPolarHBondContact O-CA 3.15Å; G141-D176 WeakPolarHBondContact CA-OD1 3.19Å; G141-D176 PolarHBondContact N-OD1 3.41Å; V143-D176 HydrophobicContact CG2-CB 3.78Å
177M89.8Confident90.5Very high50 Ų5072.2 Ų72.225%0.24641%0.413CS..  trans-97.3147-176-65.4-62.9-67.300110.1L138 S139 L140 V175 D181 V182L138-M177 HydrophobicContact CB-CG 4.17Å; L138-M177 HydrophobicContact CD2-CE 4.42Å; L138-M177 HydrophobicContact CD2-CG 3.9Å; L138-M177 HydrophobicContact CD2-SD 3.53Å; L138-M177 VanDerWaalsContact CD2-SD 3.53Å; S139-M177 PolarHBondContact O-N 3.04Å; L140-M177 HydrophobicContact CD2-CB 3.74Å; L140-M177 WeakPolarHBondContact CD2-O 3.46Å; V175-M177 HydrophobicContact CG1-CG 4.39Å; V175-M177 HydrophobicContact CG1-SD 3.66Å; V175-M177 PolarHBondContact O-N 3.28Å; M177-D181 HydrophobicContact CE-CB 4.29Å; M177-V182 HydrophobicContact CB-CG2 3.8Å; M177-V182 HydrophobicContact CE-CG2 3.95Å; M177-V182 HydrophobicContact CG-CG2 4.31Å
178R86.5Confident89.9Confident181 Ų18174 Ų7468%0.68342%0.416SS*.  trans-84144.8167.1-58.7176.4177.2168.4-0.9109.3L140 S180 D181L140-R178 WeakPolarHBondContact CD2-O 3.39Å; R178-S180 PolarHBondContact O-N 2.9Å; R178-D181 HydrophobicContact CB-CB 4.38Å; R178-D181 WeakPolarHBondContact CB-OD2 3.3Å; R178-D181 PolarHBondContact O-N 3.11Å
179G84.5Confident89.1Confident20 Ų2072.2 Ų72.221%0.20640%0.402CS..G310 helixtrans-55.6-42.2178.600000112.4D181 V182 F189G179-D181 PolarHBondContact O-N 3.13Å; G179-D181 VanDerWaalsContact O-N 3.11Å; G179-V182 PolarHBondContact O-N 3.16Å; G179-V182 VanDerWaalsContact O-N 3.09Å; G179-F189 CarbonylContact C-O 3.16Å; G179-F189 WeakPolarHBondContact CA-O 2.78Å; G179-F189 PolarHBondContact O-N 2.92Å; G179-F189 VanDerWaalsContact O-N 3.16Å
180S88.6Confident88.6Confident71 Ų7174.3 Ų74.350%0.49742%0.417SS..G310 helixtrans-58.6-21.7175.159.60000115R178 T188R178-S180 PolarHBondContact O-N 2.9Å; S180-T188 VanDerWaalsContact O-CG2 3.31Å; S180-T188 WeakPolarHBondContact O-CG2 3.24Å
181D88.1Confident88.1Confident96 Ų9678 Ų7851%0.51344%0.438SS..G310 helixtrans-100.34-175.4-55.2-13.3000111.2M177 R178 G179M177-D181 HydrophobicContact CE-CB 4.29Å; R178-D181 HydrophobicContact CB-CB 4.38Å; R178-D181 WeakPolarHBondContact CB-OD2 3.3Å; R178-D181 PolarHBondContact O-N 3.11Å; G179-D181 PolarHBondContact O-N 3.13Å; G179-D181 VanDerWaalsContact O-N 3.11Å
182V84.8Confident87.6Confident12 Ų1273.7 Ų73.77%0.07343%0.428CS..  trans-124.2113.7-178.8179.10000110M76 L140 M177 G179 T188 F189M76-V182 HydrophobicContact CE-CB 4Å; M76-V182 HydrophobicContact CE-CG1 3.28Å; M76-V182 HydrophobicContact CE-CG2 3.46Å; M76-V182 VanDerWaalsContact CE-CG2 3.46Å; M76-V182 HydrophobicContact CG-CG1 4.09Å; M76-V182 HydrophobicContact SD-CG1 4.39Å; L140-V182 HydrophobicContact CD2-CB 4.38Å; L140-V182 HydrophobicContact CD2-CG2 3.79Å; L140-V182 HydrophobicContact CG-CG2 4.36Å; M177-V182 HydrophobicContact CB-CG2 3.8Å; M177-V182 HydrophobicContact CE-CG2 3.95Å; M177-V182 HydrophobicContact CG-CG2 4.31Å; G179-V182 PolarHBondContact O-N 3.16Å; G179-V182 VanDerWaalsContact O-N 3.09Å; V182-T188 VanDerWaalsContact O-CA 3.24Å; V182-T188 WeakPolarHBondContact O-CA 3.26Å; V182-F189 HydrophobicContact CB-CD2 3.91Å; V182-F189 HydrophobicContact CG1-CD2 3.5Å; V182-F189 HydrophobicContact CG1-CE2 3.64Å; V182-F189 PolarHBondContact O-N 3.27Å; V182-F189 VanDerWaalsContact O-N 3.16Å
183G81.9Confident87.1Confident62 Ų6276.9 Ų76.964%0.63945%0.448SS*.EExtended strand (participates in β ladder)trans-75.4137.4171.500000112.8S187G183-S187 CarbonylContact C-O 3.49Å; G183-S187 VanDerWaalsContact CA-O 3.26Å; G183-S187 WeakPolarHBondContact CA-O 3.38Å
184Y82.1Confident86.7Confident122 Ų12278.5 Ų78.548%0.47846%0.458SS..EExtended strand (participates in β ladder)trans-155133.4170176.3-107.7000110.6Y112 G186 S187 F189Y112-Y184 HydrophobicContact CE1-CE1 4.1Å; Y112-Y184 AromaticContact CE1-CZ 3.96Å; Y184-G186 VanDerWaalsContact C-N 3.32Å; Y184-G186 PolarHBondContact O-N 3.43Å; Y184-S187 PolarHBondContact N-O 2.8Å; Y184-S187 PolarHBondContact O-N 3.32Å; Y184-S187 VanDerWaalsContact O-N 3.14Å; Y184-S187 VanDerWaalsContact O-O 3.09Å; Y184-F189 HydrophobicContact CD1-CE1 4.07Å; Y184-F189 HydrophobicContact CD1-CE2 4.36Å; Y184-F189 AromaticContact CD1-CZ 3.78Å; Y184-F189 HydrophobicContact CD1-CZ 3.78Å; Y184-F189 HydrophobicContact CD2-CZ 4.25Å; Y184-F189 HydrophobicContact CG-CE1 4.35Å; Y184-F189 AromaticContact CG-CE2 3.85Å; Y184-F189 HydrophobicContact CG-CE2 3.85Å; Y184-F189 AromaticContact CG-CZ 3.61Å; Y184-F189 HydrophobicContact CG-CZ 3.61Å
185N85.3Confident86.2Confident148 Ų14881.2 Ų81.279%0.79148%0.478SS*.THydrogen-bonded Turntrans51.244.6176.8-164.942.9000114.4S187N185-S187 VanDerWaalsContact C-N 3.27Å; N185-S187 PolarHBondContact O-N 3.14Å
186G85.3Confident85.7Confident95 Ų9584 Ų8498%0.97949%0.494SS*.THydrogen-bonded Turntrans773.3177.200000115.8Y184Y184-G186 VanDerWaalsContact C-N 3.32Å; Y184-G186 PolarHBondContact O-N 3.43Å
187S87.6Confident85.3Confident80 Ų8084.8 Ų84.856%0.55950%0.501SS*.EExtended strand (participates in β ladder)trans-130.4-176.6173.8-176.10000110G183 Y184 N185G183-S187 CarbonylContact C-O 3.49Å; G183-S187 VanDerWaalsContact CA-O 3.26Å; G183-S187 WeakPolarHBondContact CA-O 3.38Å; Y184-S187 PolarHBondContact N-O 2.8Å; Y184-S187 PolarHBondContact O-N 3.32Å; Y184-S187 VanDerWaalsContact O-N 3.14Å; Y184-S187 VanDerWaalsContact O-O 3.09Å; N185-S187 VanDerWaalsContact C-N 3.27Å; N185-S187 PolarHBondContact O-N 3.14Å
188T83.9Confident85Confident73 Ų7387.7 Ų87.745%0.44852%0.523SS..EExtended strand (participates in β ladder)trans-94.6165.3159.856.20000110.4S180 V182S180-T188 VanDerWaalsContact O-CG2 3.31Å; S180-T188 WeakPolarHBondContact O-CG2 3.24Å; V182-T188 VanDerWaalsContact O-CA 3.24Å; V182-T188 WeakPolarHBondContact O-CA 3.26Å
189F80.9Confident84.8Confident92 Ų9279.2 Ų79.240%0.40451%0.508SS..  trans-73.60177.7-85.5-84.5000113.6M76 L140 G179 V182 Y184M76-F189 HydrophobicContact CB-CD2 4.46Å; M76-F189 HydrophobicContact CB-CE1 4.49Å; M76-F189 HydrophobicContact CB-CE2 3.65Å; M76-F189 HydrophobicContact CB-CZ 3.68Å; M76-F189 HydrophobicContact CG-CE2 3.88Å; M76-F189 HydrophobicContact CG-CZ 4.2Å; L140-F189 HydrophobicContact CD1-CB 3.63Å; L140-F189 HydrophobicContact CD1-CD1 3.97Å; L140-F189 HydrophobicContact CD1-CD2 3.63Å; L140-F189 HydrophobicContact CD1-CE2 4.2Å; L140-F189 HydrophobicContact CD1-CG 3.48Å; L140-F189 VanDerWaalsContact CD1-CG 3.48Å; G179-F189 CarbonylContact C-O 3.16Å; G179-F189 WeakPolarHBondContact CA-O 2.78Å; G179-F189 PolarHBondContact O-N 2.92Å; G179-F189 VanDerWaalsContact O-N 3.16Å; V182-F189 HydrophobicContact CB-CD2 3.91Å; V182-F189 HydrophobicContact CG1-CD2 3.5Å; V182-F189 HydrophobicContact CG1-CE2 3.64Å; V182-F189 PolarHBondContact O-N 3.27Å; V182-F189 VanDerWaalsContact O-N 3.16Å; Y184-F189 HydrophobicContact CD1-CE1 4.07Å; Y184-F189 HydrophobicContact CD1-CE2 4.36Å; Y184-F189 AromaticContact CD1-CZ 3.78Å; Y184-F189 HydrophobicContact CD1-CZ 3.78Å; Y184-F189 HydrophobicContact CD2-CZ 4.25Å; Y184-F189 HydrophobicContact CG-CE1 4.35Å; Y184-F189 AromaticContact CG-CE2 3.85Å; Y184-F189 HydrophobicContact CG-CE2 3.85Å; Y184-F189 AromaticContact CG-CZ 3.61Å; Y184-F189 HydrophobicContact CG-CZ 3.61Å

Retrieved 189 of 189 residues in 203.4 ms (Link to these results)