A0A087WYV9_HUMAN Loading...

Cytochrome c oxidase assembly protein COX16 homolog, mitochondrial

AlphaFold DB , UniProt , Accession A0A087WYV9, Species HUMAN (Homo sapiens, Human), Gene SYNJ2BP-COX16, Length 182 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M30.9Very low50.6Low241 Ų241122 Ų122100%1.18763%0.633SS**  0116.10-78.5173.7167.300107.3G3M1-G3 PolarHBondContact O-N 2.97Å; M1-G3 VanDerWaalsContact O-N 3.11Å
2N28.7Very low53.1Low172 Ų172118.3 Ų118.392%0.9261%0.61SS**  trans-65.1108.9-176.2-68.8-19.9000109.4R4N2-R4 PolarHBondContact O-N 2.83Å; N2-R4 VanDerWaalsContact O-N 3.14Å
3G34.5Very low55.7Low69 Ų69118.8 Ų118.871%0.71161%0.608SS**  trans-62.3113.2177.800000109.8M1 V5M1-G3 PolarHBondContact O-N 2.97Å; M1-G3 VanDerWaalsContact O-N 3.11Å; G3-V5 PolarHBondContact O-N 3.23Å
4R39.8Very low57.9Low232 Ų232110.3 Ų110.388%0.87557%0.565SS**  trans-74.3106.1170.3-138.5177.7-174160.2-0.1106.3N2N2-R4 PolarHBondContact O-N 2.83Å; N2-R4 VanDerWaalsContact O-N 3.14Å
5V44.5Very low60.2Low79 Ų79108.6 Ų108.648%0.47956%0.558SS.*  trans-82.6113171.4-173.10000106.1G3 Y7 L101G3-V5 PolarHBondContact O-N 3.23Å; V5-Y7 VanDerWaalsContact O-CD1 3.24Å; V5-Y7 WeakPolarHBondContact O-CD1 3.44Å; V5-L101 HydrophobicContact CG1-CD2 3.86Å
6D49.3Very low62.2Low100 Ų100102.1 Ų102.154%0.53552%0.524SS..EExtended strand (participates in β ladder)trans-78.2132.9173.3-67.5-37.7000108.3I102D6-I102 HydrophobicContact CB-CB 4.29Å; D6-I102 CarbonylContact O-C 3.47Å; D6-I102 WeakPolarHBondContact O-CA 3.34Å; D6-I102 WeakPolarHBondContact O-CB 3.46Å; D6-I102 PolarHBondContact O-N 3.03Å; D6-I102 VanDerWaalsContact O-O 3.13Å
7Y51.6Low63.9Low113 Ų113100.6 Ų100.644%0.44352%0.521SS..EExtended strand (participates in β ladder)trans-137.9138.6175.349.3-86.5000108.9V5 V9 R99 L100V5-Y7 VanDerWaalsContact O-CD1 3.24Å; V5-Y7 WeakPolarHBondContact O-CD1 3.44Å; Y7-V9 HydrophobicContact CD2-CG2 3.53Å; Y7-V9 HydrophobicContact CE2-CG2 3.72Å; Y7-R99 HydrophobicContact CD2-CG 3.86Å; Y7-R99 HydrophobicContact CG-CG 4.05Å; Y7-L100 CarbonylContact C-O 3.53Å; Y7-L100 WeakPolarHBondContact CA-O 3.25Å; Y7-L100 WeakPolarHBondContact CB-O 3.3Å
8L56.8Low65.5Low102 Ų10298.7 Ų98.753%0.53451%0.506SS..EExtended strand (participates in β ladder)trans-85.6138.3166.1-79.7172.7000108.6L100 I102L8-L100 HydrophobicContact CB-CB 4.37Å; L8-L100 PolarHBondContact N-O 2.78Å; L8-L100 PolarHBondContact O-N 3.4Å; L8-I102 HydrophobicContact CB-CD1 4.28Å; L8-I102 HydrophobicContact CD1-CD1 4.03Å; L8-I102 HydrophobicContact CD2-CD1 4.46Å; L8-I102 HydrophobicContact CG-CD1 3.55Å; L8-I102 HydrophobicContact CG-CG1 4.35Å
9V63.8Low66.7Low65 Ų6594.9 Ų94.939%0.39449%0.494SS..EExtended strand (participates in β ladder)trans-113.7118.8176-177.50000106.5Y7 Q97 H98Y7-V9 HydrophobicContact CD2-CG2 3.53Å; Y7-V9 HydrophobicContact CE2-CG2 3.72Å; V9-Q97 HydrophobicContact CG1-CG 3.24Å; V9-H98 WeakPolarHBondContact CA-O 3.41Å
10T73.4Confident67.5Low66 Ų6697.5 Ų97.541%0.40552%0.517SS..EExtended strand (participates in β ladder)trans-121.5140.5174.454.70000109.2Q97 H98T10-Q97 CarbonylContact O-C 3.56Å; T10-Q97 VanDerWaalsContact O-CA 3.3Å; T10-Q97 WeakPolarHBondContact O-CA 3.43Å; T10-H98 PolarHBondContact N-O 3.19Å; T10-H98 VanDerWaalsContact N-O 3.15Å; T10-H98 PolarHBondContact O-N 2.92Å
11E83Confident68.2Low103 Ų10398 Ų9848%0.48153%0.528SS..EExtended strand (participates in β ladder)trans-102136.1173.6-65.2-175-175.900109.3L66 R95 V96E11-L66 HydrophobicContact CG-CD1 4.03Å; E11-R95 IonicContact OE2-CZ 2.72Å; E11-R95 IonicContact OE2-NE 2.83Å; E11-R95 PolarHBondContact OE2-NE 3.21Å; E11-R95 VanDerWaalsContact OE2-NE 3.14Å; E11-R95 IonicContact OE2-NH2 3.4Å; E11-R95 PolarHBondContact OE2-NH2 3.21Å; E11-V96 CarbonylContact C-O 3.27Å; E11-V96 VanDerWaalsContact CA-O 3.29Å; E11-V96 WeakPolarHBondContact CA-O 3.37Å
12E80.8Confident71Confident77 Ų7787.3 Ų87.336%0.3648%0.48SS..EExtended strand (participates in β ladder)trans-134.7149.6176.3-172169.6168.200110.3I14 R95 V96 H98E12-I14 HydrophobicContact CG-CG1 4.27Å; E12-R95 WeakPolarHBondContact O-CA 3.34Å; E12-V96 HydrophobicContact CB-CG2 4.35Å; E12-V96 PolarHBondContact N-O 2.99Å; E12-V96 PolarHBondContact O-N 3Å; E12-H98 IonicContact OE2-NE2 3.14Å
13E87.6Confident73.9Confident125 Ų12579.9 Ų79.958%0.58444%0.44SS*.EExtended strand (participates in β ladder)trans-104.6114.6171.9-171.1173.2-16200110L94E13-L94 CarbonylContact C-O 3.53Å; E13-L94 WeakPolarHBondContact CA-O 3.39Å
14I86.5Confident76.6Confident0 Ų076.9 Ų76.90%041%0.41CS..EExtended strand (participates in β ladder)trans-109.6117.7-177.6-56.3179000108.7E12 L16 R58 L59 L94 V96E12-I14 HydrophobicContact CG-CG1 4.27Å; I14-L16 HydrophobicContact CG2-CD2 3.76Å; I14-L16 HydrophobicContact CG2-CG 3.84Å; I14-R58 HydrophobicContact CD1-CB 3.8Å; I14-R58 HydrophobicContact CG1-CB 4.21Å; I14-R58 HydrophobicContact CG2-CB 4.47Å; I14-L59 HydrophobicContact CD1-CB 4.14Å; I14-L59 HydrophobicContact CD1-CD1 4.17Å; I14-L94 PolarHBondContact N-O 3.16Å; I14-L94 PolarHBondContact O-N 2.97Å; I14-V96 HydrophobicContact CD1-CG2 3.54Å; I14-V96 HydrophobicContact CG1-CG2 4.01Å
15N92.3Very high79Confident85 Ų8567 Ų6746%0.45537%0.373SS..EExtended strand (participates in β ladder)trans-94.8113.3173-65.8-64.3000109R58 S93N15-R58 PolarHBondContact O-NH2 3.2Å; N15-S93 VanDerWaalsContact OD1-CB 3.28Å; N15-S93 WeakPolarHBondContact OD1-CB 3.3Å; N15-S93 PolarHBondContact OD1-OG 2.89Å
16L91.4Very high81.1Confident5 Ų566.4 Ų66.43%0.02637%0.367CS..EExtended strand (participates in β ladder)trans-109.6142.4177.6-64.5-179.6000110.8I14 L23 F25 A53 D56 V92 L94I14-L16 HydrophobicContact CG2-CD2 3.76Å; I14-L16 HydrophobicContact CG2-CG 3.84Å; L16-L23 HydrophobicContact CB-CD2 4.35Å; L16-F25 HydrophobicContact CD1-CE1 4.04Å; L16-A53 HydrophobicContact CD1-CB 4.07Å; L16-D56 HydrophobicContact CD2-CB 3.51Å; L16-V92 PolarHBondContact N-O 2.8Å; L16-V92 PolarHBondContact O-N 3.12Å; L16-L94 HydrophobicContact CD1-CD1 3.74Å; L16-L94 HydrophobicContact CG-CD1 4.45Å
17T92.1Very high83.1Confident76 Ų7662.8 Ų62.847%0.46635%0.348SS..EExtended strand (participates in β ladder)trans-98.6128171.4-56.20000109.3G19 A52 Y90T17-G19 PolarHBondContact O-N 2.8Å; T17-A52 VanDerWaalsContact O-CB 3.29Å; T17-A52 WeakPolarHBondContact O-CB 3.45Å; T17-Y90 HydrophobicContact CG2-CD1 3.95Å; T17-Y90 HydrophobicContact CG2-CD2 4.37Å; T17-Y90 HydrophobicContact CG2-CE1 3.27Å; T17-Y90 HydrophobicContact CG2-CE2 3.75Å; T17-Y90 HydrophobicContact CG2-CG 4.46Å; T17-Y90 VanDerWaalsContact CG2-OH 3.25Å; T17-Y90 WeakPolarHBondContact CG2-OH 3.29Å
18R91.3Very high84.7Confident66 Ų6659.3 Ų59.325%0.24934%0.338CS..  trans-63.2119178.8-173.3-178.4-64.1-102.1-7.5110L23 F85 R86 G89 Y90R18-L23 HydrophobicContact CB-CD2 4.43Å; R18-F85 PolarHBondContact NH2-O 3.28Å; R18-R86 PolarHBondContact NH2-O 2.84Å; R18-G89 PolarHBondContact NE-O 2.88Å; R18-G89 PolarHBondContact NH2-O 2.9Å; R18-Y90 HydrophobicContact CB-CD2 4.32Å; R18-Y90 WeakPolarHBondContact CB-O 3.31Å; R18-Y90 PolarHBondContact N-O 3.41Å; R18-Y90 VanDerWaalsContact O-CE2 3.3Å; R18-Y90 WeakPolarHBondContact O-CE2 3.3Å
19G88.4Confident86.1Confident27 Ų2754.5 Ų54.528%0.27831%0.313SS..BIsolated β-bridgetrans-80.8178.2172.700000112.7T17 S21 G22T17-G19 PolarHBondContact O-N 2.8Å; G19-S21 PolarHBondContact O-N 2.66Å; G19-G22 PolarHBondContact N-O 2.92Å; G19-G22 PolarHBondContact O-N 3.16Å
20P84Confident87Confident146 Ų14651.4 Ų51.495%0.94829%0.294SS*.THydrogen-bonded Turntrans-60.2-29.3178.723.7-33.2000113.1
21S82.4Confident87.6Confident109 Ų10950.8 Ų50.876%0.76229%0.29SS*.THydrogen-bonded Turntrans-97.913.9177.6-55.10000113.4G19G19-S21 PolarHBondContact O-N 2.66Å
22G89Confident87.6Confident17 Ų1749.8 Ų49.818%0.17529%0.288CS..BIsolated β-bridgetrans92.1-150.3-175.800000113.6G19G19-G22 PolarHBondContact N-O 2.92Å; G19-G22 PolarHBondContact O-N 3.16Å
23L89.8Confident87.5Confident15 Ų1551.1 Ų51.18%0.07929%0.294CS..SBendtrans-81.6-16.8-176.8-63.8170.7000113.7L16 R18 F25 A53 F85 V92L16-L23 HydrophobicContact CB-CD2 4.35Å; R18-L23 HydrophobicContact CB-CD2 4.43Å; L23-F25 HydrophobicContact CB-CD1 3.86Å; L23-F25 HydrophobicContact CB-CE1 3.44Å; L23-F25 VanDerWaalsContact CB-CE1 3.44Å; L23-F25 HydrophobicContact CB-CZ 4.14Å; L23-F25 HydrophobicContact CD1-CE1 4.02Å; L23-F25 HydrophobicContact CD1-CZ 3.96Å; L23-F25 HydrophobicContact CG-CE1 4.3Å; L23-A53 WeakPolarHBondContact O-CB 3.33Å; L23-A53 PolarHBondContact O-N 2.77Å; L23-F85 HydrophobicContact CD1-CB 4.46Å; L23-F85 HydrophobicContact CD1-CD1 3.84Å; L23-V92 HydrophobicContact CD1-CG1 4.4Å; L23-V92 HydrophobicContact CD1-CG2 4.45Å; L23-V92 HydrophobicContact CD2-CB 4.06Å; L23-V92 HydrophobicContact CD2-CG2 3.82Å
24G91Very high86.8Confident7 Ų750.1 Ų50.17%0.07229%0.29CS..SBendtrans80.425.8172.700000115.4K48G24-K48 WeakPolarHBondContact O-CB 3.48Å; G24-K48 PolarHBondContact O-N 2.88Å
25F90.8Very high85.8Confident24 Ų2456.5 Ų56.511%0.10532%0.315CS..EExtended strand (participates in β ladder)trans-142.7162.6170.761-92.6000110.9L16 L23 I27 V44 R46 I47 A53 L59 I65 F85 L94L16-F25 HydrophobicContact CD1-CE1 4.04Å; L23-F25 HydrophobicContact CB-CD1 3.86Å; L23-F25 HydrophobicContact CB-CE1 3.44Å; L23-F25 VanDerWaalsContact CB-CE1 3.44Å; L23-F25 HydrophobicContact CB-CZ 4.14Å; L23-F25 HydrophobicContact CD1-CE1 4.02Å; L23-F25 HydrophobicContact CD1-CZ 3.96Å; L23-F25 HydrophobicContact CG-CE1 4.3Å; F25-I27 HydrophobicContact CD2-CG2 3.79Å; F25-I27 HydrophobicContact CE2-CG2 3.56Å; F25-V44 HydrophobicContact CB-CG1 4.2Å; F25-V44 HydrophobicContact CD2-CG2 4.43Å; F25-R46 CarbonylContact C-O 3.49Å; F25-R46 VanDerWaalsContact CA-O 3.3Å; F25-R46 WeakPolarHBondContact CA-O 3.31Å; F25-I47 HydrophobicContact CB-CG1 4.23Å; F25-A53 HydrophobicContact CB-CB 4.44Å; F25-A53 HydrophobicContact CD1-CB 3.74Å; F25-L59 HydrophobicContact CB-CD2 4.35Å; F25-L59 HydrophobicContact CD1-CD2 3.61Å; F25-L59 HydrophobicContact CD2-CD2 4.38Å; F25-L59 HydrophobicContact CE1-CD2 3.86Å; F25-L59 HydrophobicContact CG-CD2 3.88Å; F25-L59 HydrophobicContact CZ-CD2 4.38Å; F25-I65 HydrophobicContact CE2-CD1 3.88Å; F25-I65 HydrophobicContact CZ-CD1 4.33Å; F25-F85 HydrophobicContact CE2-CE1 4.14Å; F25-F85 HydrophobicContact CE2-CZ 4.46Å; F25-F85 HydrophobicContact CZ-CD1 4.12Å; F25-F85 AromaticContact CZ-CE1 3.84Å; F25-F85 HydrophobicContact CZ-CE1 3.84Å; F25-L94 HydrophobicContact CE1-CD1 4.02Å; F25-L94 HydrophobicContact CZ-CD1 3.9Å
26N88.8Confident84.6Confident67 Ų6755.2 Ų55.236%0.35831%0.31SS..EExtended strand (participates in β ladder)trans-108.5144.9174.5-65.5-15.5000109.3V44 S45 R46N26-V44 WeakPolarHBondContact O-CA 3.28Å; N26-S45 WeakPolarHBondContact CB-OG 3.44Å; N26-S45 PolarHBondContact O-N 2.94Å; N26-S45 PolarHBondContact O-OG 3.15Å; N26-R46 HydrophobicContact CB-CB 4.38Å; N26-R46 PolarHBondContact N-O 3.22Å
27I89.8Confident83.1Confident24 Ų2460.2 Ų60.212%0.12335%0.345CS..EExtended strand (participates in β ladder)trans-112.2152.5176.460.8167.7000111.3F25 I42 Y43 I65 A81 V82 F85F25-I27 HydrophobicContact CD2-CG2 3.79Å; F25-I27 HydrophobicContact CE2-CG2 3.56Å; I27-I42 HydrophobicContact CB-CG2 3.84Å; I27-I42 HydrophobicContact CD1-CG2 3.95Å; I27-I42 HydrophobicContact CG1-CG2 4.47Å; I27-I42 HydrophobicContact CG2-CG2 4.07Å; I27-Y43 CarbonylContact C-O 3.53Å; I27-Y43 VanDerWaalsContact CA-O 3.23Å; I27-Y43 WeakPolarHBondContact CA-O 3.36Å; I27-I65 HydrophobicContact CG2-CD1 4.12Å; I27-A81 HydrophobicContact CD1-CB 4.26Å; I27-V82 HydrophobicContact CD1-CG2 3.85Å; I27-V82 HydrophobicContact CG1-CG2 4.33Å; I27-F85 HydrophobicContact CD1-CD2 3.74Å; I27-F85 HydrophobicContact CD1-CE2 3.8Å; I27-F85 HydrophobicContact CG2-CE2 4.18Å; I27-F85 HydrophobicContact CG2-CZ 4.46Å
28V85.5Confident82Confident39 Ų3964.4 Ų64.424%0.23637%0.365CS..EExtended strand (participates in β ladder)trans-136.8162.5169.9-69.30000108.4Y35 Y43V28-Y35 HydrophobicContact CB-CD2 4.22Å; V28-Y35 HydrophobicContact CG2-CD1 4.19Å; V28-Y35 HydrophobicContact CG2-CD2 3.57Å; V28-Y35 HydrophobicContact CG2-CE2 3.96Å; V28-Y35 HydrophobicContact CG2-CG 3.7Å; V28-Y43 PolarHBondContact N-O 2.87Å; V28-Y43 PolarHBondContact O-N 2.94Å
29G86.1Confident81.2Confident1 Ų163.5 Ų63.51%0.0137%0.365CS..EExtended strand (participates in β ladder)trans107.7-180-173.500000112.3Q33 G41 H78G29-Q33 CarbonylContact C-O 3.59Å; G29-Q33 VanDerWaalsContact C-O 3.24Å; G29-Q33 WeakPolarHBondContact CA-O 3.36Å; G29-Q33 PolarHBondContact N-O 3.26Å; G29-G41 WeakPolarHBondContact CA-O 3.29Å; G29-H78 WeakPolarHBondContact O-CB 3.43Å; G29-H78 PolarHBondContact O-ND1 3.32Å
30G83.5Confident80.8Confident0 Ų063.3 Ų63.30%036%0.359CS..  trans121159.7-170.500000110.6D32 Q33 Q34 G41 L76G30-D32 PolarHBondContact O-N 3.09Å; G30-Q33 CarbonylContact O-C 3.55Å; G30-Q33 VanDerWaalsContact O-C 3.27Å; G30-Q33 PolarHBondContact O-N 2.85Å; G30-Q34 PolarHBondContact O-N 3.26Å; G30-G41 PolarHBondContact N-O 2.83Å; G30-L76 CarbonylContact C-O 3.51Å; G30-L76 VanDerWaalsContact CA-O 3.25Å; G30-L76 WeakPolarHBondContact CA-O 3.03Å
31T84.7Confident80.8Confident53 Ų5356.7 Ų56.733%0.32532%0.317SS..SBendtrans-63.3-29-179.550.30000112.9N75 L76 L77T31-N75 HydrophobicContact CG2-CB 4.24Å; T31-L76 PolarHBondContact N-O 2.77Å; T31-L76 PolarHBondContact OG1-O 2.86Å; T31-L77 WeakPolarHBondContact OG1-CD2 3.23Å
32D84.2Confident81.2Confident83 Ų8351.5 Ų51.544%0.44428%0.281SS..SBendtrans-85-27.5176.361.7-48.3000113.3G30 L77 H78G30-D32 PolarHBondContact O-N 3.09Å; D32-L77 HydrophobicContact CB-CD2 3.85Å; D32-H78 PolarHBondContact OD1-N 3.14Å
33Q77.8Confident81Confident104 Ų10451.6 Ų51.649%0.48628%0.276SS..SBendtrans-129.161.1-175.2-69.8176.556.300111G29 G30 Y35 H78G29-Q33 CarbonylContact C-O 3.59Å; G29-Q33 VanDerWaalsContact C-O 3.24Å; G29-Q33 WeakPolarHBondContact CA-O 3.36Å; G29-Q33 PolarHBondContact N-O 3.26Å; G30-Q33 CarbonylContact O-C 3.55Å; G30-Q33 VanDerWaalsContact O-C 3.27Å; G30-Q33 PolarHBondContact O-N 2.85Å; Q33-Y35 PolarHBondContact O-N 2.91Å; Q33-Y35 VanDerWaalsContact O-N 3.16Å; Q33-H78 HydrophobicContact CB-CB 4.47Å
34Q72.9Confident80.7Confident104 Ų10451 Ų5149%0.48627%0.273SS..  trans-61.8118.7-177.4-65-177.910.500111G30G30-Q34 PolarHBondContact O-N 3.26Å
35Y66.9Low80.2Confident135 Ų13552.7 Ų52.753%0.52928%0.284SS..SBendtrans-79.6-33.9178.3-178.4-113.5000112.1V28 Q33 Y43V28-Y35 HydrophobicContact CB-CD2 4.22Å; V28-Y35 HydrophobicContact CG2-CD1 4.19Å; V28-Y35 HydrophobicContact CG2-CD2 3.57Å; V28-Y35 HydrophobicContact CG2-CE2 3.96Å; V28-Y35 HydrophobicContact CG2-CG 3.7Å; Q33-Y35 PolarHBondContact O-N 2.91Å; Q33-Y35 VanDerWaalsContact O-N 3.16Å; Y35-Y43 HydrophobicContact CD1-CD1 4.41Å; Y35-Y43 AromaticContact CD1-CD2 3.8Å; Y35-Y43 HydrophobicContact CD1-CD2 3.8Å; Y35-Y43 HydrophobicContact CD1-CE2 4.33Å; Y35-Y43 AromaticContact CD1-CG 3.84Å; Y35-Y43 HydrophobicContact CD1-CG 3.84Å; Y35-Y43 HydrophobicContact CG-CD2 4.28Å
36V65.9Low79.6Confident57 Ų5759.2 Ų59.235%0.34531%0.308SS..BIsolated β-bridgetrans-119132.8175.7177.80000108.2N38 D39 Y43V36-N38 PolarHBondContact O-N 2.67Å; V36-D39 HydrophobicContact CB-CB 3.97Å; V36-D39 HydrophobicContact CG1-CB 4.24Å; V36-D39 PolarHBondContact O-N 3.26Å; V36-Y43 HydrophobicContact CG2-CE1 4.46Å; V36-Y43 HydrophobicContact CG2-CE2 4.28Å
37S60.9Low79.3Confident110 Ų11057.5 Ų57.577%0.76930%0.299SS*.THydrogen-bonded Turntrans-56.7123.7178.3-53.70000110.6D39S37-D39 VanDerWaalsContact C-N 3.34Å
38N68.4Low79Confident165 Ų16561.4 Ų61.488%0.88231%0.314SS*.THydrogen-bonded Turntrans6918.8-173.9-54.9-35.4000115.8V36V36-N38 PolarHBondContact O-N 2.67Å
39D74.5Confident78.8Confident47 Ų4768 Ų6825%0.25134%0.343SS..BIsolated β-bridgetrans-127.7117.4168.6-157.8-26.5000110.6V36 S37 G41 Y43 K64V36-D39 HydrophobicContact CB-CB 3.97Å; V36-D39 HydrophobicContact CG1-CB 4.24Å; V36-D39 PolarHBondContact O-N 3.26Å; S37-D39 VanDerWaalsContact C-N 3.34Å; D39-G41 VanDerWaalsContact C-N 3.27Å; D39-G41 PolarHBondContact OD1-N 3.07Å; D39-Y43 WeakPolarHBondContact CB-OH 3.44Å; D39-Y43 PolarHBondContact OD2-OH 3.46Å; D39-K64 IonicContact OD1-NZ 2.69Å; D39-K64 PolarHBondContact OD1-NZ 3.03Å; D39-K64 IonicContact OD2-NZ 2.78Å; D39-K64 PolarHBondContact OD2-NZ 3Å
40S79.3Confident78.7Confident23 Ų2374.6 Ų74.616%0.16138%0.378CS..  trans-88.310.6177.456.10000113.1N75S40-N75 PolarHBondContact OG-OD1 2.94Å
41G84.9Confident78.7Confident6 Ų675.1 Ų75.16%0.06238%0.383CS..  trans-69.4167-179.400000114.5G29 G30 D39 Y43G29-G41 WeakPolarHBondContact CA-O 3.29Å; G30-G41 PolarHBondContact N-O 2.83Å; D39-G41 VanDerWaalsContact C-N 3.27Å; D39-G41 PolarHBondContact OD1-N 3.07Å; G41-Y43 WeakPolarHBondContact O-CD2 3.38Å; G41-Y43 WeakPolarHBondContact O-CE2 3.39Å
42I89.6Confident78.9Confident0 Ų073.5 Ų73.50%038%0.375CS..EExtended strand (participates in β ladder)trans-99.7133.5175.8-53.6-58.5000109.2I27 I65 L73 A81 F85I27-I42 HydrophobicContact CB-CG2 3.84Å; I27-I42 HydrophobicContact CD1-CG2 3.95Å; I27-I42 HydrophobicContact CG1-CG2 4.47Å; I27-I42 HydrophobicContact CG2-CG2 4.07Å; I42-I65 PolarHBondContact O-N 3.31Å; I42-L73 HydrophobicContact CB-CD1 4.12Å; I42-L73 HydrophobicContact CG1-CB 4.05Å; I42-L73 HydrophobicContact CG1-CD1 4.14Å; I42-L73 HydrophobicContact CG2-CD1 4.44Å; I42-A81 HydrophobicContact CD1-CB 3.63Å; I42-A81 HydrophobicContact CG1-CB 3.8Å; I42-F85 HydrophobicContact CG2-CE2 4.36Å
43Y85.4Confident79Confident20 Ų2069.6 Ų69.68%0.07835%0.354CS..EExtended strand (participates in β ladder)trans-127.4152.5-177-59.4-95.3000111.3I27 V28 Y35 V36 D39 G41 D63 K64I27-Y43 CarbonylContact C-O 3.53Å; I27-Y43 VanDerWaalsContact CA-O 3.23Å; I27-Y43 WeakPolarHBondContact CA-O 3.36Å; V28-Y43 PolarHBondContact N-O 2.87Å; V28-Y43 PolarHBondContact O-N 2.94Å; Y35-Y43 HydrophobicContact CD1-CD1 4.41Å; Y35-Y43 AromaticContact CD1-CD2 3.8Å; Y35-Y43 HydrophobicContact CD1-CD2 3.8Å; Y35-Y43 HydrophobicContact CD1-CE2 4.33Å; Y35-Y43 AromaticContact CD1-CG 3.84Å; Y35-Y43 HydrophobicContact CD1-CG 3.84Å; Y35-Y43 HydrophobicContact CG-CD2 4.28Å; V36-Y43 HydrophobicContact CG2-CE1 4.46Å; V36-Y43 HydrophobicContact CG2-CE2 4.28Å; D39-Y43 WeakPolarHBondContact CB-OH 3.44Å; D39-Y43 PolarHBondContact OD2-OH 3.46Å; G41-Y43 WeakPolarHBondContact O-CD2 3.38Å; G41-Y43 WeakPolarHBondContact O-CE2 3.39Å; Y43-D63 CarbonylContact C-O 3.54Å; Y43-D63 VanDerWaalsContact CA-O 3.28Å; Y43-D63 WeakPolarHBondContact CA-O 3.11Å; Y43-K64 HydrophobicContact CD1-CB 3.8Å; Y43-K64 HydrophobicContact CD1-CG 4.13Å; Y43-K64 HydrophobicContact CE1-CB 3.69Å; Y43-K64 HydrophobicContact CE1-CD 3.96Å; Y43-K64 HydrophobicContact CE1-CG 3.79Å
44V84.1Confident79.2Confident1 Ų166.5 Ų66.51%0.00635%0.347CS..EExtended strand (participates in β ladder)trans-80.5118.3171.5-177.70000109F25 N26 I47 L59 G62 D63 I65F25-V44 HydrophobicContact CB-CG1 4.2Å; F25-V44 HydrophobicContact CD2-CG2 4.43Å; N26-V44 WeakPolarHBondContact O-CA 3.28Å; V44-I47 HydrophobicContact CG1-CD1 4.47Å; V44-I47 HydrophobicContact CG1-CG1 3.89Å; V44-L59 HydrophobicContact CG2-CD1 4Å; V44-L59 HydrophobicContact CG2-CD2 4.05Å; V44-L59 HydrophobicContact CG2-CG 4.13Å; V44-G62 PolarHBondContact O-N 3.03Å; V44-D63 HydrophobicContact CG2-CB 4.36Å; V44-D63 PolarHBondContact N-O 3.34Å; V44-I65 HydrophobicContact CG2-CD1 3.9Å; V44-I65 HydrophobicContact CG2-CG1 4.08Å
45S80.7Confident79.5Confident44 Ų4468 Ų6831%0.30836%0.357SS..EExtended strand (participates in β ladder)trans-90.8-35.117857.20000113.5N26N26-S45 WeakPolarHBondContact CB-OG 3.44Å; N26-S45 PolarHBondContact O-N 2.94Å; N26-S45 PolarHBondContact O-OG 3.15Å
46R78.6Confident80Confident161 Ų16164.1 Ų64.161%0.60835%0.346SS*.EExtended strand (participates in β ladder)trans-153.9142.1-179.3-175.5174.3-73.1-169.1-2.6110.9F25 N26 E61F25-R46 CarbonylContact C-O 3.49Å; F25-R46 VanDerWaalsContact CA-O 3.3Å; F25-R46 WeakPolarHBondContact CA-O 3.31Å; N26-R46 HydrophobicContact CB-CB 4.38Å; N26-R46 PolarHBondContact N-O 3.22Å; R46-E61 VanDerWaalsContact CA-OE1 3.25Å; R46-E61 WeakPolarHBondContact CA-OE1 3.27Å; R46-E61 WeakPolarHBondContact CG-OE1 3.21Å
47I81.1Confident80.5Confident31 Ų3163.9 Ų63.916%0.15935%0.354CS..EExtended strand (participates in β ladder)trans-103132169.6-64.8173.3000108.7F25 V44 A53 A54 L59 E61F25-I47 HydrophobicContact CB-CG1 4.23Å; V44-I47 HydrophobicContact CG1-CD1 4.47Å; V44-I47 HydrophobicContact CG1-CG1 3.89Å; I47-A53 HydrophobicContact CG2-CB 4.39Å; I47-A54 HydrophobicContact CG2-CB 3.75Å; I47-L59 HydrophobicContact CD1-CB 4.46Å; I47-L59 HydrophobicContact CD1-CG 4.39Å; I47-L59 WeakPolarHBondContact CD1-O 3.41Å; I47-E61 HydrophobicContact CB-CG 4.31Å; I47-E61 HydrophobicContact CD1-CG 4.24Å; I47-E61 HydrophobicContact CG1-CG 3.98Å; I47-E61 PolarHBondContact N-OE1 3.4Å
48K84.2Confident81.4Confident105 Ų10562.7 Ų62.746%0.45733%0.333SS..PPolyproline II helixtrans-79127177.8-67.7-175.2178.7178.30109.3G24 N50 G51 A54G24-K48 WeakPolarHBondContact O-CB 3.48Å; G24-K48 PolarHBondContact O-N 2.88Å; K48-N50 PolarHBondContact O-N 2.86Å; K48-G51 PolarHBondContact O-N 3.16Å; K48-A54 VanDerWaalsContact O-CB 3.27Å; K48-A54 WeakPolarHBondContact O-CB 3.45Å
49E80.9Confident81.9Confident178 Ų17855 Ų5583%0.83229%0.292SS*.THydrogen-bonded Turntrans-53135.3169.2-63.3-178.6177.600110.2G51E49-G51 PolarHBondContact O-N 2.85Å; E49-G51 VanDerWaalsContact O-N 3.15Å
50N84.1Confident82.1Confident140 Ų14057.9 Ų57.975%0.74930%0.304SS*.THydrogen-bonded Turntrans61.112.8-174.4-51-55.4000115.4K48K48-N50 PolarHBondContact O-N 2.86Å
51G84.8Confident82Confident10 Ų1062.2 Ų62.210%0.10332%0.322CS..SBendtrans-77.2164.6170.800000112.6K48 E49 A53 A54 L55K48-G51 PolarHBondContact O-N 3.16Å; E49-G51 PolarHBondContact O-N 2.85Å; E49-G51 VanDerWaalsContact O-N 3.15Å; G51-A53 VanDerWaalsContact C-N 3.3Å; G51-A53 PolarHBondContact O-N 2.74Å; G51-A54 PolarHBondContact O-N 2.76Å; G51-L55 WeakPolarHBondContact O-CG 3.07Å; G51-L55 PolarHBondContact O-N 2.95Å
52A88.8Confident81.3Confident20 Ų2063.9 Ų63.917%0.16534%0.338CS..Hα-helixtrans-57-42.2179.600000112.6T17 L55 D56T17-A52 VanDerWaalsContact O-CB 3.29Å; T17-A52 WeakPolarHBondContact O-CB 3.45Å; A52-L55 PolarHBondContact O-N 3.25Å; A52-D56 WeakPolarHBondContact O-CB 3.47Å; A52-D56 PolarHBondContact O-N 3.28Å; A52-D56 VanDerWaalsContact O-N 3.07Å
53A85.3Confident80.9Confident0 Ų064.2 Ų64.20%034%0.341CS..Hα-helixtrans-64.6-35.9174.200000114L16 L23 F25 I47 G51 G57 L59L16-A53 HydrophobicContact CD1-CB 4.07Å; L23-A53 WeakPolarHBondContact O-CB 3.33Å; L23-A53 PolarHBondContact O-N 2.77Å; F25-A53 HydrophobicContact CB-CB 4.44Å; F25-A53 HydrophobicContact CD1-CB 3.74Å; I47-A53 HydrophobicContact CG2-CB 4.39Å; G51-A53 VanDerWaalsContact C-N 3.3Å; G51-A53 PolarHBondContact O-N 2.74Å; A53-G57 PolarHBondContact O-N 2.76Å; A53-L59 HydrophobicContact CB-CB 4.38Å; A53-L59 HydrophobicContact CB-CD2 3.91Å
54A81.1Confident80.8Confident40 Ų4065 Ų6533%0.33134%0.344SS..Hα-helixtrans-71.5-37.9177.500000112.5I47 K48 G51 D56 G57I47-A54 HydrophobicContact CG2-CB 3.75Å; K48-A54 VanDerWaalsContact O-CB 3.27Å; K48-A54 WeakPolarHBondContact O-CB 3.45Å; G51-A54 PolarHBondContact O-N 2.76Å; A54-D56 VanDerWaalsContact C-N 3.32Å; A54-G57 PolarHBondContact O-N 3.4Å
55L79.1Confident81.2Confident134 Ų13465.1 Ų65.170%0.70235%0.345SS*.Hα-helixtrans-68.8-32.8176.9-67.3173.3000112G51 A52G51-L55 WeakPolarHBondContact O-CG 3.07Å; G51-L55 PolarHBondContact O-N 2.95Å; A52-L55 PolarHBondContact O-N 3.25Å
56D79Confident81.8Confident55 Ų5564.1 Ų64.129%0.29434%0.336SS..Hα-helixtrans-73.3-40.3173.5-175.9-91.8000112L16 A52 A54 R58L16-D56 HydrophobicContact CD2-CB 3.51Å; A52-D56 WeakPolarHBondContact O-CB 3.47Å; A52-D56 PolarHBondContact O-N 3.28Å; A52-D56 VanDerWaalsContact O-N 3.07Å; A54-D56 VanDerWaalsContact C-N 3.32Å; D56-R58 PolarHBondContact O-N 3.39Å; D56-R58 WeakPolarHBondContact OD1-CB 3.48Å; D56-R58 WeakPolarHBondContact OD1-CG 3.3Å; D56-R58 IonicContact OD1-CZ 3.48Å; D56-R58 PolarHBondContact OD1-N 3.36Å; D56-R58 IonicContact OD1-NE 3.36Å; D56-R58 PolarHBondContact OD1-NE 3.16Å; D56-R58 IonicContact OD1-NH2 2.74Å; D56-R58 PolarHBondContact OD1-NH2 3.39Å; D56-R58 IonicContact OD2-CZ 3.62Å; D56-R58 IonicContact OD2-NE 3.39Å; D56-R58 PolarHBondContact OD2-NE 2.91Å; D56-R58 IonicContact OD2-NH2 3.49Å; D56-R58 PolarHBondContact OD2-NH2 3.19Å
57G76.6Confident82.5Confident51 Ų5157 Ų5753%0.52631%0.31SS..  trans77.2-4.7170.400000115.9A53 A54A53-G57 PolarHBondContact O-N 2.76Å; A54-G57 PolarHBondContact O-N 3.4Å
58R79.7Confident83.2Confident85 Ų8555.7 Ų55.732%0.32130%0.304SS..  trans-82-35.8177.9-64.3177.9-73.1170-4.7113.3I14 N15 D56I14-R58 HydrophobicContact CD1-CB 3.8Å; I14-R58 HydrophobicContact CG1-CB 4.21Å; I14-R58 HydrophobicContact CG2-CB 4.47Å; N15-R58 PolarHBondContact O-NH2 3.2Å; D56-R58 PolarHBondContact O-N 3.39Å; D56-R58 WeakPolarHBondContact OD1-CB 3.48Å; D56-R58 WeakPolarHBondContact OD1-CG 3.3Å; D56-R58 IonicContact OD1-CZ 3.48Å; D56-R58 PolarHBondContact OD1-N 3.36Å; D56-R58 IonicContact OD1-NE 3.36Å; D56-R58 PolarHBondContact OD1-NE 3.16Å; D56-R58 IonicContact OD1-NH2 2.74Å; D56-R58 PolarHBondContact OD1-NH2 3.39Å; D56-R58 IonicContact OD2-CZ 3.62Å; D56-R58 IonicContact OD2-NE 3.39Å; D56-R58 PolarHBondContact OD2-NE 2.91Å; D56-R58 IonicContact OD2-NH2 3.49Å; D56-R58 PolarHBondContact OD2-NH2 3.19Å
59L78.9Confident83.6Confident5 Ų554 Ų543%0.02630%0.3CS..  trans-75.5136.8177.6-169.668.1000110I14 F25 V44 I47 A53 D63 V96I14-L59 HydrophobicContact CD1-CB 4.14Å; I14-L59 HydrophobicContact CD1-CD1 4.17Å; F25-L59 HydrophobicContact CB-CD2 4.35Å; F25-L59 HydrophobicContact CD1-CD2 3.61Å; F25-L59 HydrophobicContact CD2-CD2 4.38Å; F25-L59 HydrophobicContact CE1-CD2 3.86Å; F25-L59 HydrophobicContact CG-CD2 3.88Å; F25-L59 HydrophobicContact CZ-CD2 4.38Å; V44-L59 HydrophobicContact CG2-CD1 4Å; V44-L59 HydrophobicContact CG2-CD2 4.05Å; V44-L59 HydrophobicContact CG2-CG 4.13Å; I47-L59 HydrophobicContact CD1-CB 4.46Å; I47-L59 HydrophobicContact CD1-CG 4.39Å; I47-L59 WeakPolarHBondContact CD1-O 3.41Å; A53-L59 HydrophobicContact CB-CB 4.38Å; A53-L59 HydrophobicContact CB-CD2 3.91Å; L59-D63 HydrophobicContact CD1-CB 4.29Å; L59-V96 HydrophobicContact CD1-CB 4.46Å; L59-V96 HydrophobicContact CD1-CG1 3.78Å
60Q76.9Confident84.1Confident106 Ų10648.8 Ų48.850%0.49529%0.294SS..  trans-126.7156.3-179.1-65.3177.256.800112.1D63Q60-D63 PolarHBondContact N-OD2 3.04Å; Q60-D63 WeakPolarHBondContact O-CB 3.11Å; Q60-D63 PolarHBondContact O-N 3.44Å
61E77.2Confident84.4Confident115 Ų11547.5 Ų47.554%0.53728%0.284SS..THydrogen-bonded Turntrans-66.3134.9173.3-60.4-174.3169.200110.1R46 I47R46-E61 VanDerWaalsContact CA-OE1 3.25Å; R46-E61 WeakPolarHBondContact CA-OE1 3.27Å; R46-E61 WeakPolarHBondContact CG-OE1 3.21Å; I47-E61 HydrophobicContact CB-CG 4.31Å; I47-E61 HydrophobicContact CD1-CG 4.24Å; I47-E61 HydrophobicContact CG1-CG 3.98Å; I47-E61 PolarHBondContact N-OE1 3.4Å
62G71.9Confident84.7Confident40 Ų4051.7 Ų51.741%0.41230%0.304SS..THydrogen-bonded Turntrans90.6-6.8-174.200000114.7V44V44-G62 PolarHBondContact O-N 3.03Å
63D80.1Confident84.7Confident8 Ų850.9 Ų50.94%0.04330%0.297CS..PPolyproline II helixtrans-65142.6173.7-74.2-19.5000111.5Y43 V44 L59 Q60 H98Y43-D63 CarbonylContact C-O 3.54Å; Y43-D63 VanDerWaalsContact CA-O 3.28Å; Y43-D63 WeakPolarHBondContact CA-O 3.11Å; V44-D63 HydrophobicContact CG2-CB 4.36Å; V44-D63 PolarHBondContact N-O 3.34Å; L59-D63 HydrophobicContact CD1-CB 4.29Å; Q60-D63 PolarHBondContact N-OD2 3.04Å; Q60-D63 WeakPolarHBondContact O-CB 3.11Å; Q60-D63 PolarHBondContact O-N 3.44Å; D63-H98 IonicContact OD1-CE1 3.08Å; D63-H98 IonicContact OD1-CG 2.88Å; D63-H98 IonicContact OD1-ND1 2.93Å; D63-H98 PolarHBondContact OD1-ND1 2.81Å; D63-H98 IonicContact OD2-CE1 3.54Å; D63-H98 PolarHBondContact OD2-CE1 3.3Å; D63-H98 IonicContact OD2-ND1 3.84Å; D63-H98 PolarHBondContact OD2-ND1 2.9Å
64K84.6Confident84.8Confident37 Ų3757 Ų5716%0.16132%0.323CS..EExtended strand (participates in β ladder)trans-93.9125.6174.4-175.1178.5-170.4168.90109.7D39 Y43 L66 V96 Q97D39-K64 IonicContact OD1-NZ 2.69Å; D39-K64 PolarHBondContact OD1-NZ 3.03Å; D39-K64 IonicContact OD2-NZ 2.78Å; D39-K64 PolarHBondContact OD2-NZ 3Å; Y43-K64 HydrophobicContact CD1-CB 3.8Å; Y43-K64 HydrophobicContact CD1-CG 4.13Å; Y43-K64 HydrophobicContact CE1-CB 3.69Å; Y43-K64 HydrophobicContact CE1-CD 3.96Å; Y43-K64 HydrophobicContact CE1-CG 3.79Å; K64-L66 HydrophobicContact CD-CD2 4.22Å; K64-L66 HydrophobicContact CG-CD2 4.33Å; K64-V96 CarbonylContact O-C 3.46Å; K64-V96 VanDerWaalsContact O-CA 3.31Å; K64-V96 WeakPolarHBondContact O-CA 3.49Å; K64-Q97 HydrophobicContact CB-CB 4.26Å; K64-Q97 PolarHBondContact N-O 3.47Å; K64-Q97 PolarHBondContact O-N 3.09Å
65I92.4Very high84.9Confident2 Ų260.8 Ų60.81%0.0134%0.338CS..EExtended strand (participates in β ladder)trans-90.9119.4175.9-47.7176.6000108.3F25 I27 I42 V44 V68 L73 F85 L94 V96F25-I65 HydrophobicContact CE2-CD1 3.88Å; F25-I65 HydrophobicContact CZ-CD1 4.33Å; I27-I65 HydrophobicContact CG2-CD1 4.12Å; I42-I65 PolarHBondContact O-N 3.31Å; V44-I65 HydrophobicContact CG2-CD1 3.9Å; V44-I65 HydrophobicContact CG2-CG1 4.08Å; I65-V68 HydrophobicContact CG2-CG2 4.37Å; I65-L73 HydrophobicContact CB-CD1 4Å; I65-L73 HydrophobicContact CG2-CD1 3.71Å; I65-F85 HydrophobicContact CB-CZ 4.46Å; I65-F85 HydrophobicContact CD1-CE1 4.06Å; I65-F85 HydrophobicContact CD1-CE2 4.43Å; I65-F85 HydrophobicContact CD1-CZ 3.51Å; I65-F85 HydrophobicContact CG2-CZ 4.05Å; I65-L94 HydrophobicContact CG2-CD2 4.5Å; I65-V96 HydrophobicContact CG1-CG1 4.19Å; I65-V96 HydrophobicContact CG2-CG1 4.36Å
66L91.9Very high85.4Confident23 Ų2356.3 Ų56.312%0.1231%0.314CS..EExtended strand (participates in β ladder)trans-87.3-44.1-178-59.4178.4000111.5E11 K64 L73 R95 Q97E11-L66 HydrophobicContact CG-CD1 4.03Å; K64-L66 HydrophobicContact CD-CD2 4.22Å; K64-L66 HydrophobicContact CG-CD2 4.33Å; L66-L73 PolarHBondContact O-N 2.89Å; L66-R95 HydrophobicContact CB-CB 4.41Å; L66-R95 WeakPolarHBondContact CB-O 3.41Å; L66-R95 HydrophobicContact CD1-CG 4.39Å; L66-R95 PolarHBondContact N-O 3.29Å; L66-Q97 HydrophobicContact CD1-CB 4.09Å; L66-Q97 HydrophobicContact CD2-CB 4.31Å; L66-Q97 HydrophobicContact CG-CB 4.15Å
67S94.3Very high86Confident11 Ų1157.5 Ų57.58%0.07732%0.32CS..EExtended strand (participates in β ladder)trans-152155-177.466.10000112.9Q71 R95S67-Q71 CarbonylContact C-O 3.6Å; S67-Q71 WeakPolarHBondContact CA-O 2.97Å; S67-Q71 WeakPolarHBondContact CB-O 3.28Å; S67-R95 PolarHBondContact N-O 2.97Å; S67-R95 PolarHBondContact O-N 2.78Å; S67-R95 WeakPolarHBondContact OG-CB 3.47Å
68V94.8Very high86.6Confident4 Ų456.7 Ų56.72%0.02430%0.303CS..EExtended strand (participates in β ladder)trans-125.1123175.6-176.10000108.8I65 G70 Q71 L73 F85 A88 V92 S93 L94I65-V68 HydrophobicContact CG2-CG2 4.37Å; V68-G70 PolarHBondContact O-N 3.22Å; V68-G70 VanDerWaalsContact O-N 3.16Å; V68-Q71 PolarHBondContact N-O 3.44Å; V68-Q71 WeakPolarHBondContact O-CB 3.25Å; V68-Q71 PolarHBondContact O-N 2.8Å; V68-L73 HydrophobicContact CG2-CD1 3.68Å; V68-L73 HydrophobicContact CG2-CD2 4.05Å; V68-L73 HydrophobicContact CG2-CG 4Å; V68-F85 HydrophobicContact CG1-CD1 4.33Å; V68-F85 HydrophobicContact CG1-CE1 4.42Å; V68-F85 HydrophobicContact CG2-CD1 3.96Å; V68-F85 HydrophobicContact CG2-CE1 3.39Å; V68-F85 HydrophobicContact CG2-CE2 4.13Å; V68-F85 HydrophobicContact CG2-CZ 3.46Å; V68-F85 VanDerWaalsContact CG2-CZ 3.46Å; V68-A88 HydrophobicContact CG1-CB 3.8Å; V68-V92 HydrophobicContact CG1-CG1 3.71Å; V68-S93 CarbonylContact C-O 3.25Å; V68-S93 WeakPolarHBondContact CA-O 3.08Å; V68-L94 HydrophobicContact CB-CD2 4.26Å; V68-L94 HydrophobicContact CG1-CD2 3.98Å; V68-L94 HydrophobicContact CG2-CD2 3.78Å
69N92.8Very high87.1Confident70 Ų7057.1 Ų57.137%0.37431%0.309SS..THydrogen-bonded Turntrans50.437.5-177.2-64.7-11.7000113.1Q71 A88 V92 S93N69-Q71 VanDerWaalsContact C-N 3.27Å; N69-Q71 PolarHBondContact O-N 3.43Å; N69-A88 WeakPolarHBondContact ND2-CA 3.38Å; N69-A88 PolarHBondContact ND2-O 2.78Å; N69-V92 WeakPolarHBondContact OD1-CA 3.38Å; N69-S93 PolarHBondContact N-O 3.26Å; N69-S93 PolarHBondContact OD1-N 3.08Å
70G90.8Very high87.8Confident69 Ų6960.3 Ų60.371%0.71133%0.326SS*.THydrogen-bonded Turntrans77.81.9-176.700000115.4V68V68-G70 PolarHBondContact O-N 3.22Å; V68-G70 VanDerWaalsContact O-N 3.16Å
71Q91.3Very high88.5Confident113 Ų11355.3 Ų55.353%0.52830%0.302SS..EExtended strand (participates in β ladder)trans-93.8121.3173.1-59.7-173.3-000110.6S67 V68 N69S67-Q71 CarbonylContact C-O 3.6Å; S67-Q71 WeakPolarHBondContact CA-O 2.97Å; S67-Q71 WeakPolarHBondContact CB-O 3.28Å; V68-Q71 PolarHBondContact N-O 3.44Å; V68-Q71 WeakPolarHBondContact O-CB 3.25Å; V68-Q71 PolarHBondContact O-N 2.8Å; N69-Q71 VanDerWaalsContact C-N 3.27Å; N69-Q71 PolarHBondContact O-N 3.43Å
72D91.7Very high89.2Confident98 Ų9851 Ų5152%0.52428%0.284SS..EExtended strand (participates in β ladder)trans-66.7137.1179.6-81.1-13.5000111.8K74D72-K74 VanDerWaalsContact C-N 3.35Å
73L89.3Confident90.1Very high2 Ų251.7 Ų51.71%0.0128%0.278CS..  trans-94.415.3177.3-65-178.2000113.5I42 I65 L66 V68 L76 A81 L84 F85I42-L73 HydrophobicContact CB-CD1 4.12Å; I42-L73 HydrophobicContact CG1-CB 4.05Å; I42-L73 HydrophobicContact CG1-CD1 4.14Å; I42-L73 HydrophobicContact CG2-CD1 4.44Å; I65-L73 HydrophobicContact CB-CD1 4Å; I65-L73 HydrophobicContact CG2-CD1 3.71Å; L66-L73 PolarHBondContact O-N 2.89Å; V68-L73 HydrophobicContact CG2-CD1 3.68Å; V68-L73 HydrophobicContact CG2-CD2 4.05Å; V68-L73 HydrophobicContact CG2-CG 4Å; L73-L76 HydrophobicContact CB-CD1 4.46Å; L73-L76 HydrophobicContact CD2-CD1 3.83Å; L73-A81 HydrophobicContact CD2-CB 4.46Å; L73-L84 HydrophobicContact CD2-CB 4.42Å; L73-L84 HydrophobicContact CD2-CD1 3.51Å; L73-F85 HydrophobicContact CD1-CE2 3.8Å; L73-F85 HydrophobicContact CD1-CZ 3.73Å
74K86.1Confident90.7Very high130 Ų13053.2 Ų53.257%0.56529%0.286SS*.THydrogen-bonded Turntrans-75.3136.5-177.2-64.4176.8-174.2165.10110.4D72 L76D72-K74 VanDerWaalsContact C-N 3.35Å; K74-L76 PolarHBondContact O-N 3.39Å
75N84.4Confident91Very high118 Ų11852.2 Ų52.263%0.63128%0.282SS*.THydrogen-bonded Turntrans57.930.5174.9-55.5-43.9000114.8T31 S40T31-N75 HydrophobicContact CG2-CB 4.24Å; S40-N75 PolarHBondContact OG-OD1 2.94Å
76L88.4Confident90.9Very high40 Ų4059.5 Ų59.521%0.20931%0.309CS..  trans-92.7153.2173.7-62.6-176.3000110.9G30 T31 L73 K74 D80 L84G30-L76 CarbonylContact C-O 3.51Å; G30-L76 VanDerWaalsContact CA-O 3.25Å; G30-L76 WeakPolarHBondContact CA-O 3.03Å; T31-L76 PolarHBondContact N-O 2.77Å; T31-L76 PolarHBondContact OG1-O 2.86Å; L73-L76 HydrophobicContact CB-CD1 4.46Å; L73-L76 HydrophobicContact CD2-CD1 3.83Å; K74-L76 PolarHBondContact O-N 3.39Å; L76-D80 HydrophobicContact CB-CB 4.28Å; L76-L84 HydrophobicContact CD1-CD1 3.46Å; L76-L84 VanDerWaalsContact CD1-CD1 3.46Å
77L91.8Very high90.8Very high80 Ų8064.8 Ų64.842%0.41934%0.337SS..  trans-67.6154.5165-64.9166.4000109.4T31 D32 Q79 D80 A81T31-L77 WeakPolarHBondContact OG1-CD2 3.23Å; D32-L77 HydrophobicContact CB-CD2 3.85Å; L77-Q79 PolarHBondContact O-N 3.27Å; L77-D80 HydrophobicContact CB-CB 4.43Å; L77-D80 PolarHBondContact O-N 2.78Å; L77-D80 VanDerWaalsContact O-N 3.16Å; L77-A81 PolarHBondContact O-N 3.25Å; L77-A81 VanDerWaalsContact O-N 3.09Å
78H88.4Confident90.5Very high35 Ų3564.8 Ų64.816%0.16234%0.338CS..Hα-helixtrans-52.6-45.2176.2-177.675.3000111.6G29 D32 Q33 A81 V82G29-H78 WeakPolarHBondContact O-CB 3.43Å; G29-H78 PolarHBondContact O-ND1 3.32Å; D32-H78 PolarHBondContact OD1-N 3.14Å; Q33-H78 HydrophobicContact CB-CB 4.47Å; H78-A81 PolarHBondContact O-N 3.46Å; H78-V82 WeakPolarHBondContact O-CG2 3.33Å; H78-V82 PolarHBondContact O-N 2.8Å
79Q91.9Very high90.2Very high94 Ų9466.4 Ų66.444%0.43936%0.356SS..Hα-helixtrans-64.9-41-178.9-172.554.546.700112.3L77 A81 V82 D83L77-Q79 PolarHBondContact O-N 3.27Å; Q79-A81 VanDerWaalsContact C-N 3.33Å; Q79-A81 PolarHBondContact O-N 2.9Å; Q79-V82 WeakPolarHBondContact O-CB 3.5Å; Q79-V82 PolarHBondContact O-N 2.72Å; Q79-D83 PolarHBondContact NE2-OD1 2.83Å; Q79-D83 VanDerWaalsContact NE2-OD1 3.14Å; Q79-D83 PolarHBondContact NE2-OD2 3.14Å; Q79-D83 VanDerWaalsContact NE2-OD2 3.09Å; Q79-D83 PolarHBondContact O-N 3.3Å
80D92.4Very high90.1Very high72 Ų7271 Ų7139%0.38537%0.369SS..Hα-helixtrans-63-41.2177.8-63-24.3000111.2L76 L77 D83 L84L76-D80 HydrophobicContact CB-CB 4.28Å; L77-D80 HydrophobicContact CB-CB 4.43Å; L77-D80 PolarHBondContact O-N 2.78Å; L77-D80 VanDerWaalsContact O-N 3.16Å; D80-D83 PolarHBondContact O-N 2.81Å; D80-L84 WeakPolarHBondContact O-CG 3.25Å; D80-L84 PolarHBondContact O-N 2.93Å
81A91.3Very high90.2Very high0 Ų071.1 Ų71.10%036%0.363CS..Hα-helixtrans-61.7-45.5174.500000111.3I27 I42 L73 L77 H78 Q79 D83 L84 F85I27-A81 HydrophobicContact CD1-CB 4.26Å; I42-A81 HydrophobicContact CD1-CB 3.63Å; I42-A81 HydrophobicContact CG1-CB 3.8Å; L73-A81 HydrophobicContact CD2-CB 4.46Å; L77-A81 PolarHBondContact O-N 3.25Å; L77-A81 VanDerWaalsContact O-N 3.09Å; H78-A81 PolarHBondContact O-N 3.46Å; Q79-A81 VanDerWaalsContact C-N 3.33Å; Q79-A81 PolarHBondContact O-N 2.9Å; A81-D83 VanDerWaalsContact C-N 3.29Å; A81-D83 PolarHBondContact O-N 2.93Å; A81-L84 WeakPolarHBondContact O-CB 3.43Å; A81-L84 PolarHBondContact O-N 3.02Å; A81-F85 WeakPolarHBondContact O-CD2 3.49Å; A81-F85 PolarHBondContact O-N 2.98Å
82V91.8Very high90.3Very high25 Ų2565.8 Ų65.815%0.15234%0.338CS..Hα-helixtrans-57.8-43.5175.6171.20000111.2I27 H78 Q79 L84 F85 R86I27-V82 HydrophobicContact CD1-CG2 3.85Å; I27-V82 HydrophobicContact CG1-CG2 4.33Å; H78-V82 WeakPolarHBondContact O-CG2 3.33Å; H78-V82 PolarHBondContact O-N 2.8Å; Q79-V82 WeakPolarHBondContact O-CB 3.5Å; Q79-V82 PolarHBondContact O-N 2.72Å; V82-L84 VanDerWaalsContact C-N 3.35Å; V82-F85 PolarHBondContact O-N 2.87Å; V82-R86 HydrophobicContact CG1-CG 4.45Å; V82-R86 WeakPolarHBondContact O-CG 3.29Å; V82-R86 PolarHBondContact O-N 2.91Å
83D92.1Very high90.4Very high55 Ų5562.8 Ų62.829%0.29433%0.325SS..Hα-helixtrans-69.2-33.9-178.9-69.2-29.8000111.9Q79 D80 A81 R86 N87Q79-D83 PolarHBondContact NE2-OD1 2.83Å; Q79-D83 VanDerWaalsContact NE2-OD1 3.14Å; Q79-D83 PolarHBondContact NE2-OD2 3.14Å; Q79-D83 VanDerWaalsContact NE2-OD2 3.09Å; Q79-D83 PolarHBondContact O-N 3.3Å; D80-D83 PolarHBondContact O-N 2.81Å; A81-D83 VanDerWaalsContact C-N 3.29Å; A81-D83 PolarHBondContact O-N 2.93Å; D83-R86 PolarHBondContact O-N 2.87Å; D83-R86 IonicContact OD1-NH1 2.69Å; D83-N87 VanDerWaalsContact O-CB 3.31Å; D83-N87 WeakPolarHBondContact O-CB 3.47Å; D83-N87 VanDerWaalsContact O-CG 3.22Å; D83-N87 PolarHBondContact O-N 2.76Å; D83-N87 PolarHBondContact O-ND2 3.06Å; D83-N87 VanDerWaalsContact O-ND2 3.16Å
84L91.9Very high90.7Very high40 Ų4062.7 Ų62.721%0.20932%0.324CS..Hα-helixtrans-60.9-48.3168.5-74.7177000112.2L73 L76 D80 A81 V82 R86 N87 A88L73-L84 HydrophobicContact CD2-CB 4.42Å; L73-L84 HydrophobicContact CD2-CD1 3.51Å; L76-L84 HydrophobicContact CD1-CD1 3.46Å; L76-L84 VanDerWaalsContact CD1-CD1 3.46Å; D80-L84 WeakPolarHBondContact O-CG 3.25Å; D80-L84 PolarHBondContact O-N 2.93Å; A81-L84 WeakPolarHBondContact O-CB 3.43Å; A81-L84 PolarHBondContact O-N 3.02Å; V82-L84 VanDerWaalsContact C-N 3.35Å; L84-R86 PolarHBondContact O-N 3.26Å; L84-N87 CarbonylContact O-C 3.59Å; L84-N87 PolarHBondContact O-N 2.84Å; L84-A88 WeakPolarHBondContact O-CB 3.4Å; L84-A88 PolarHBondContact O-N 3.08Å
85F91.1Very high91Very high16 Ų1662.2 Ų62.27%0.0732%0.319CS..Hα-helixtrans-63.5-30.7175.9-75.5-74.2000112.6R18 L23 F25 I27 I42 I65 V68 L73 A81 V82 L94R18-F85 PolarHBondContact NH2-O 3.28Å; L23-F85 HydrophobicContact CD1-CB 4.46Å; L23-F85 HydrophobicContact CD1-CD1 3.84Å; F25-F85 HydrophobicContact CE2-CE1 4.14Å; F25-F85 HydrophobicContact CE2-CZ 4.46Å; F25-F85 HydrophobicContact CZ-CD1 4.12Å; F25-F85 AromaticContact CZ-CE1 3.84Å; F25-F85 HydrophobicContact CZ-CE1 3.84Å; I27-F85 HydrophobicContact CD1-CD2 3.74Å; I27-F85 HydrophobicContact CD1-CE2 3.8Å; I27-F85 HydrophobicContact CG2-CE2 4.18Å; I27-F85 HydrophobicContact CG2-CZ 4.46Å; I42-F85 HydrophobicContact CG2-CE2 4.36Å; I65-F85 HydrophobicContact CB-CZ 4.46Å; I65-F85 HydrophobicContact CD1-CE1 4.06Å; I65-F85 HydrophobicContact CD1-CE2 4.43Å; I65-F85 HydrophobicContact CD1-CZ 3.51Å; I65-F85 HydrophobicContact CG2-CZ 4.05Å; V68-F85 HydrophobicContact CG1-CD1 4.33Å; V68-F85 HydrophobicContact CG1-CE1 4.42Å; V68-F85 HydrophobicContact CG2-CD1 3.96Å; V68-F85 HydrophobicContact CG2-CE1 3.39Å; V68-F85 HydrophobicContact CG2-CE2 4.13Å; V68-F85 HydrophobicContact CG2-CZ 3.46Å; V68-F85 VanDerWaalsContact CG2-CZ 3.46Å; L73-F85 HydrophobicContact CD1-CE2 3.8Å; L73-F85 HydrophobicContact CD1-CZ 3.73Å; A81-F85 WeakPolarHBondContact O-CD2 3.49Å; A81-F85 PolarHBondContact O-N 2.98Å; V82-F85 PolarHBondContact O-N 2.87Å; F85-L94 HydrophobicContact CD1-CD2 4.31Å; F85-L94 HydrophobicContact CE1-CD2 3.58Å
86R89.8Confident91.2Very high155 Ų15556.6 Ų56.659%0.58529%0.289SS*.Hα-helixtrans-71-42.2174.5-74.5173.4177177.5-1.6111.7R18 V82 D83 L84R18-R86 PolarHBondContact NH2-O 2.84Å; V82-R86 HydrophobicContact CG1-CG 4.45Å; V82-R86 WeakPolarHBondContact O-CG 3.29Å; V82-R86 PolarHBondContact O-N 2.91Å; D83-R86 PolarHBondContact O-N 2.87Å; D83-R86 IonicContact OD1-NH1 2.69Å; L84-R86 PolarHBondContact O-N 3.26Å
87N89.9Confident90.9Very high133 Ų13357 Ų5771%0.71129%0.29SS*.Hα-helixtrans-84-8-176.7-65.8-27.8000114D83 L84 G89D83-N87 VanDerWaalsContact O-CB 3.31Å; D83-N87 WeakPolarHBondContact O-CB 3.47Å; D83-N87 VanDerWaalsContact O-CG 3.22Å; D83-N87 PolarHBondContact O-N 2.76Å; D83-N87 PolarHBondContact O-ND2 3.06Å; D83-N87 VanDerWaalsContact O-ND2 3.16Å; L84-N87 CarbonylContact O-C 3.59Å; L84-N87 PolarHBondContact O-N 2.84Å; N87-G89 PolarHBondContact O-N 2.93Å
88A87.8Confident90.1Very high12 Ų1253.7 Ų53.710%0.09927%0.272CS..THydrogen-bonded Turntrans-61.7-7.7179.500000114.9V68 N69 L84 V92V68-A88 HydrophobicContact CG1-CB 3.8Å; N69-A88 WeakPolarHBondContact ND2-CA 3.38Å; N69-A88 PolarHBondContact ND2-O 2.78Å; L84-A88 WeakPolarHBondContact O-CB 3.4Å; L84-A88 PolarHBondContact O-N 3.08Å; A88-V92 HydrophobicContact CB-CB 4.39Å; A88-V92 HydrophobicContact CB-CG1 3.91Å; A88-V92 HydrophobicContact CB-CG2 3.65Å
89G89.8Confident88.9Confident38 Ų3858.3 Ų58.339%0.39229%0.288SS..  trans78.3-156.1175.500000113.6R18 N87R18-G89 PolarHBondContact NE-O 2.88Å; R18-G89 PolarHBondContact NH2-O 2.9Å; N87-G89 PolarHBondContact O-N 2.93Å
90Y90.9Very high87.3Confident167 Ų16758.1 Ų58.166%0.65529%0.289SS*.SBendtrans-80.6-43.5-175.4-177.3-106.9000113T17 R18T17-Y90 HydrophobicContact CG2-CD1 3.95Å; T17-Y90 HydrophobicContact CG2-CD2 4.37Å; T17-Y90 HydrophobicContact CG2-CE1 3.27Å; T17-Y90 HydrophobicContact CG2-CE2 3.75Å; T17-Y90 HydrophobicContact CG2-CG 4.46Å; T17-Y90 VanDerWaalsContact CG2-OH 3.25Å; T17-Y90 WeakPolarHBondContact CG2-OH 3.29Å; R18-Y90 HydrophobicContact CB-CD2 4.32Å; R18-Y90 WeakPolarHBondContact CB-O 3.31Å; R18-Y90 PolarHBondContact N-O 3.41Å; R18-Y90 VanDerWaalsContact O-CE2 3.3Å; R18-Y90 WeakPolarHBondContact O-CE2 3.3Å
91A91.8Very high85.2Confident70 Ų7060.2 Ų60.258%0.57930%0.3SS*.EExtended strand (participates in β ladder)trans-99.9124.2174.400000108.8
92V94.4Very high83.2Confident1 Ų163.9 Ų63.91%0.00632%0.319CS..EExtended strand (participates in β ladder)trans-124.1115.6-175.7-175.20000109.4L16 L23 V68 N69 A88 L94L16-V92 PolarHBondContact N-O 2.8Å; L16-V92 PolarHBondContact O-N 3.12Å; L23-V92 HydrophobicContact CD1-CG1 4.4Å; L23-V92 HydrophobicContact CD1-CG2 4.45Å; L23-V92 HydrophobicContact CD2-CB 4.06Å; L23-V92 HydrophobicContact CD2-CG2 3.82Å; V68-V92 HydrophobicContact CG1-CG1 3.71Å; N69-V92 WeakPolarHBondContact OD1-CA 3.38Å; A88-V92 HydrophobicContact CB-CB 4.39Å; A88-V92 HydrophobicContact CB-CG1 3.91Å; A88-V92 HydrophobicContact CB-CG2 3.65Å; V92-L94 HydrophobicContact CG1-CD2 3.53Å; V92-L94 HydrophobicContact CG1-CG 4.04Å
93S94.1Very high80.8Confident35 Ų3567.6 Ų67.625%0.24534%0.342CS..EExtended strand (participates in β ladder)trans-92.7113.5174.4-57.40000109.2N15 V68 N69N15-S93 VanDerWaalsContact OD1-CB 3.28Å; N15-S93 WeakPolarHBondContact OD1-CB 3.3Å; N15-S93 PolarHBondContact OD1-OG 2.89Å; V68-S93 CarbonylContact C-O 3.25Å; V68-S93 WeakPolarHBondContact CA-O 3.08Å; N69-S93 PolarHBondContact N-O 3.26Å; N69-S93 PolarHBondContact OD1-N 3.08Å
94L94.1Very high78.2Confident0 Ų068.2 Ų68.20%036%0.361CS..EExtended strand (participates in β ladder)trans-106.4126-180-57.6-177.9000109.1E13 I14 L16 F25 I65 V68 F85 V92 V96E13-L94 CarbonylContact C-O 3.53Å; E13-L94 WeakPolarHBondContact CA-O 3.39Å; I14-L94 PolarHBondContact N-O 3.16Å; I14-L94 PolarHBondContact O-N 2.97Å; L16-L94 HydrophobicContact CD1-CD1 3.74Å; L16-L94 HydrophobicContact CG-CD1 4.45Å; F25-L94 HydrophobicContact CE1-CD1 4.02Å; F25-L94 HydrophobicContact CZ-CD1 3.9Å; I65-L94 HydrophobicContact CG2-CD2 4.5Å; V68-L94 HydrophobicContact CB-CD2 4.26Å; V68-L94 HydrophobicContact CG1-CD2 3.98Å; V68-L94 HydrophobicContact CG2-CD2 3.78Å; F85-L94 HydrophobicContact CD1-CD2 4.31Å; F85-L94 HydrophobicContact CE1-CD2 3.58Å; V92-L94 HydrophobicContact CG1-CD2 3.53Å; V92-L94 HydrophobicContact CG1-CG 4.04Å; L94-V96 HydrophobicContact CB-CG1 4.09Å
95R93.3Very high75.8Confident120 Ų12069.2 Ų69.245%0.45338%0.381SS..EExtended strand (participates in β ladder)trans-95117.4164.9-163.7179.6-176.7146.60.6107.8E11 E12 L66 S67E11-R95 IonicContact OE2-CZ 2.72Å; E11-R95 IonicContact OE2-NE 2.83Å; E11-R95 PolarHBondContact OE2-NE 3.21Å; E11-R95 VanDerWaalsContact OE2-NE 3.14Å; E11-R95 IonicContact OE2-NH2 3.4Å; E11-R95 PolarHBondContact OE2-NH2 3.21Å; E12-R95 WeakPolarHBondContact O-CA 3.34Å; L66-R95 HydrophobicContact CB-CB 4.41Å; L66-R95 WeakPolarHBondContact CB-O 3.41Å; L66-R95 HydrophobicContact CD1-CG 4.39Å; L66-R95 PolarHBondContact N-O 3.29Å; S67-R95 PolarHBondContact N-O 2.97Å; S67-R95 PolarHBondContact O-N 2.78Å; S67-R95 WeakPolarHBondContact OG-CB 3.47Å
96V88Confident73.2Confident0 Ų073.4 Ų73.40%041%0.412CS..EExtended strand (participates in β ladder)trans-119.5157.8-176.7-57.60000110.7E11 E12 I14 L59 K64 I65 L94E11-V96 CarbonylContact C-O 3.27Å; E11-V96 VanDerWaalsContact CA-O 3.29Å; E11-V96 WeakPolarHBondContact CA-O 3.37Å; E12-V96 HydrophobicContact CB-CG2 4.35Å; E12-V96 PolarHBondContact N-O 2.99Å; E12-V96 PolarHBondContact O-N 3Å; I14-V96 HydrophobicContact CD1-CG2 3.54Å; I14-V96 HydrophobicContact CG1-CG2 4.01Å; L59-V96 HydrophobicContact CD1-CB 4.46Å; L59-V96 HydrophobicContact CD1-CG1 3.78Å; K64-V96 CarbonylContact O-C 3.46Å; K64-V96 VanDerWaalsContact O-CA 3.31Å; K64-V96 WeakPolarHBondContact O-CA 3.49Å; I65-V96 HydrophobicContact CG1-CG1 4.19Å; I65-V96 HydrophobicContact CG2-CG1 4.36Å; L94-V96 HydrophobicContact CB-CG1 4.09Å
97Q81.8Confident70.5Confident49 Ų4974 Ų7423%0.22942%0.419CS..EExtended strand (participates in β ladder)trans-122.6113.3176.5177.7177.987.200108.3V9 T10 K64 L66V9-Q97 HydrophobicContact CG1-CG 3.24Å; T10-Q97 CarbonylContact O-C 3.56Å; T10-Q97 VanDerWaalsContact O-CA 3.3Å; T10-Q97 WeakPolarHBondContact O-CA 3.43Å; K64-Q97 HydrophobicContact CB-CB 4.26Å; K64-Q97 PolarHBondContact N-O 3.47Å; K64-Q97 PolarHBondContact O-N 3.09Å; L66-Q97 HydrophobicContact CD1-CB 4.09Å; L66-Q97 HydrophobicContact CD2-CB 4.31Å; L66-Q97 HydrophobicContact CG-CB 4.15Å
98H76.1Confident68.1Low11 Ų1169.6 Ų69.65%0.05141%0.405CS..EExtended strand (participates in β ladder)trans-83.4131.2175.5-56.4-67.9000109.3V9 T10 E12 D63V9-H98 WeakPolarHBondContact CA-O 3.41Å; T10-H98 PolarHBondContact N-O 3.19Å; T10-H98 VanDerWaalsContact N-O 3.15Å; T10-H98 PolarHBondContact O-N 2.92Å; E12-H98 IonicContact OE2-NE2 3.14Å; D63-H98 IonicContact OD1-CE1 3.08Å; D63-H98 IonicContact OD1-CG 2.88Å; D63-H98 IonicContact OD1-ND1 2.93Å; D63-H98 PolarHBondContact OD1-ND1 2.81Å; D63-H98 IonicContact OD2-CE1 3.54Å; D63-H98 PolarHBondContact OD2-CE1 3.3Å; D63-H98 IonicContact OD2-ND1 3.84Å; D63-H98 PolarHBondContact OD2-ND1 2.9Å
99R62.8Low65.8Low132 Ų13274 Ų7450%0.49843%0.426SS..EExtended strand (participates in β ladder)trans-106.794.7173.6-170.1178.1-176.9-168.9-1.5109.2Y7 L101Y7-R99 HydrophobicContact CD2-CG 3.86Å; Y7-R99 HydrophobicContact CG-CG 4.05Å; R99-L101 PolarHBondContact O-N 3.24Å
100L57.7Low63.3Low89 Ų8981.4 Ų81.447%0.46644%0.443SS..EExtended strand (participates in β ladder)trans-82.8107.2176.6-64.1172.2000108.7Y7 L8 I102Y7-L100 CarbonylContact C-O 3.53Å; Y7-L100 WeakPolarHBondContact CA-O 3.25Å; Y7-L100 WeakPolarHBondContact CB-O 3.3Å; L8-L100 HydrophobicContact CB-CB 4.37Å; L8-L100 PolarHBondContact N-O 2.78Å; L8-L100 PolarHBondContact O-N 3.4Å; L100-I102 PolarHBondContact O-N 3.2Å
101L49.9Very low60.8Low116 Ų11680.7 Ų80.761%0.60745%0.445SS*.EExtended strand (participates in β ladder)trans-63.8116.3173.7-70.6172.5000109.4V5 R99 V103V5-L101 HydrophobicContact CG1-CD2 3.86Å; R99-L101 PolarHBondContact O-N 3.24Å; L101-V103 HydrophobicContact CB-CG2 4.44Å; L101-V103 PolarHBondContact O-N 3.37Å
102I47.7Very low58.3Low78 Ų7883.3 Ų83.340%0.444%0.444SS..EExtended strand (participates in β ladder)trans-94.284.9169.6-50.7168.1000106.9D6 L8 L100 G104D6-I102 HydrophobicContact CB-CB 4.29Å; D6-I102 CarbonylContact O-C 3.47Å; D6-I102 WeakPolarHBondContact O-CA 3.34Å; D6-I102 WeakPolarHBondContact O-CB 3.46Å; D6-I102 PolarHBondContact O-N 3.03Å; D6-I102 VanDerWaalsContact O-O 3.13Å; L8-I102 HydrophobicContact CB-CD1 4.28Å; L8-I102 HydrophobicContact CD1-CD1 4.03Å; L8-I102 HydrophobicContact CD2-CD1 4.46Å; L8-I102 HydrophobicContact CG-CD1 3.55Å; L8-I102 HydrophobicContact CG-CG1 4.35Å; L100-I102 PolarHBondContact O-N 3.2Å; I102-G104 PolarHBondContact O-N 3.47Å
103V41.8Very low55.5Low103 Ų10386 Ų8662%0.62446%0.463SS*.  trans-77.3117.5167.3-170.80000107.2L101L101-V103 HydrophobicContact CB-CG2 4.44Å; L101-V103 PolarHBondContact O-N 3.37Å
104G38.5Very low53.1Low68 Ų6889.1 Ų89.170%0.70147%0.473SS*.SBendtrans-55.8138.2-175.300000113.4I102I102-G104 PolarHBondContact O-N 3.47Å
105G39.8Very low50.7Low61 Ų6194.1 Ų94.163%0.62950%0.499SS*.SBendtrans75.2117.716700000114.7F107G105-F107 PolarHBondContact O-N 2.97Å; G105-F107 VanDerWaalsContact O-N 3.08Å
106S37.7Very low48.1Very low103 Ų10395.4 Ų95.472%0.7250%0.504SS*.SBendtrans80.1-35.7160.1-35.20000118.7
107F33.8Very low45.9Very low168 Ų168100.7 Ų100.774%0.73753%0.525SS*.SBendtrans-82.8-31.1-176.1-127.5-94.3000114.1G105 L109 R110G105-F107 PolarHBondContact O-N 2.97Å; G105-F107 VanDerWaalsContact O-N 3.08Å; F107-L109 PolarHBondContact O-N 2.69Å; F107-L109 VanDerWaalsContact O-N 3.1Å; F107-R110 PolarHBondContact O-N 3.16Å
108G38.9Very low44.3Very low41 Ų41102.1 Ų102.142%0.42353%0.534SS..THydrogen-bonded Turntrans-62.4-14.9171.900000113.4R110 F112G108-R110 VanDerWaalsContact C-N 3.29Å; G108-R110 PolarHBondContact O-N 3.33Å; G108-F112 VanDerWaalsContact O-CB 3.26Å; G108-F112 WeakPolarHBondContact O-CB 3.41Å; G108-F112 WeakPolarHBondContact O-CD2 3.06Å; G108-F112 PolarHBondContact O-N 2.68Å
109L40Very low42.7Very low103 Ų103103.7 Ų103.754%0.53955%0.549SS..Hα-helixtrans-69.3-20.7177.7-74.6167.2000113.2F107 S113F107-L109 PolarHBondContact O-N 2.69Å; F107-L109 VanDerWaalsContact O-N 3.1Å; L109-S113 WeakPolarHBondContact O-CA 3.35Å; L109-S113 WeakPolarHBondContact O-CB 3.4Å; L109-S113 PolarHBondContact O-N 2.76Å; L109-S113 PolarHBondContact O-OG 2.99Å
110R36.6Very low41.8Very low194 Ų194101.6 Ų101.673%0.73255%0.55SS**Hα-helixtrans-75.7-51.1-176-114.8-179.8170.3-179.5-3.7113.1F107 G108 S113 Q114F107-R110 PolarHBondContact O-N 3.16Å; G108-R110 VanDerWaalsContact C-N 3.29Å; G108-R110 PolarHBondContact O-N 3.33Å; R110-S113 WeakPolarHBondContact CA-OG 3.35Å; R110-S113 PolarHBondContact O-N 3.44Å; R110-S113 PolarHBondContact O-OG 2.83Å; R110-Q114 PolarHBondContact O-N 2.77Å
111E38.9Very low41.6Very low152 Ų152101.8 Ų101.871%0.7155%0.548SS*.Hα-helixtrans-73.8-38.2176.1-79.6162.5163.300111.6S113 Q114 I115E111-S113 VanDerWaalsContact C-N 3.27Å; E111-S113 PolarHBondContact O-N 3.42Å; E111-Q114 PolarHBondContact O-N 3.39Å; E111-Q114 VanDerWaalsContact O-N 3.16Å; E111-I115 WeakPolarHBondContact O-CB 3.46Å; E111-I115 VanDerWaalsContact O-CG1 3.25Å; E111-I115 WeakPolarHBondContact O-CG1 3.29Å; E111-I115 PolarHBondContact O-N 3.15Å
112F38.6Very low41.6Very low126 Ų126100.9 Ų100.955%0.55355%0.551SS**Hα-helixtrans-66.8-28.6169-79.1-88.6000112.2G108 R116G108-F112 VanDerWaalsContact O-CB 3.26Å; G108-F112 WeakPolarHBondContact O-CB 3.41Å; G108-F112 WeakPolarHBondContact O-CD2 3.06Å; G108-F112 PolarHBondContact O-N 2.68Å; F112-R116 WeakPolarHBondContact O-CA 3.42Å; F112-R116 WeakPolarHBondContact O-CB 3.5Å; F112-R116 WeakPolarHBondContact O-CG 3.25Å; F112-R116 PolarHBondContact O-N 3.36Å
113S36.3Very low41.6Very low58 Ų58106 Ų10641%0.40657%0.57SS.*Hα-helixtrans-69.7-36.5170.869.50000110.9L109 R110 E111 Y117L109-S113 WeakPolarHBondContact O-CA 3.35Å; L109-S113 WeakPolarHBondContact O-CB 3.4Å; L109-S113 PolarHBondContact O-N 2.76Å; L109-S113 PolarHBondContact O-OG 2.99Å; R110-S113 WeakPolarHBondContact CA-OG 3.35Å; R110-S113 PolarHBondContact O-N 3.44Å; R110-S113 PolarHBondContact O-OG 2.83Å; E111-S113 VanDerWaalsContact C-N 3.27Å; E111-S113 PolarHBondContact O-N 3.42Å; S113-Y117 WeakPolarHBondContact O-CA 3.36Å; S113-Y117 WeakPolarHBondContact O-CB 3.28Å; S113-Y117 PolarHBondContact O-N 2.71Å
114Q43.3Very low41.9Very low99 Ų99103.5 Ų103.546%0.46355%0.553SS.*Hα-helixtrans-68.4-46.2176.1-163.862.556.200110.2R110 E111 R116 Y117 D118R110-Q114 PolarHBondContact O-N 2.77Å; E111-Q114 PolarHBondContact O-N 3.39Å; E111-Q114 VanDerWaalsContact O-N 3.16Å; Q114-R116 PolarHBondContact O-N 2.73Å; Q114-Y117 CarbonylContact O-C 3.52Å; Q114-Y117 WeakPolarHBondContact O-CB 3.44Å; Q114-Y117 PolarHBondContact O-N 3.49Å; Q114-D118 PolarHBondContact NE2-OD1 2.86Å; Q114-D118 VanDerWaalsContact O-CB 3.29Å; Q114-D118 WeakPolarHBondContact O-CB 3.41Å; Q114-D118 PolarHBondContact O-N 3.38Å
115I42.7Very low42.7Very low106 Ų106104.5 Ų104.554%0.54454%0.542SS..Hα-helixtrans-63.5-42.9176-66.3165000111.2E111 A119E111-I115 WeakPolarHBondContact O-CB 3.46Å; E111-I115 VanDerWaalsContact O-CG1 3.25Å; E111-I115 WeakPolarHBondContact O-CG1 3.29Å; E111-I115 PolarHBondContact O-N 3.15Å; I115-A119 WeakPolarHBondContact O-CB 3.43Å; I115-A119 PolarHBondContact O-N 2.74Å
116R38.5Very low43.7Very low146 Ų146106.3 Ų106.355%0.55154%0.542SS*.Hα-helixtrans-66.6-40.4173.3-76.8178.9-162.1-172.23.2111.3F112 Q114 A119 V120F112-R116 WeakPolarHBondContact O-CA 3.42Å; F112-R116 WeakPolarHBondContact O-CB 3.5Å; F112-R116 WeakPolarHBondContact O-CG 3.25Å; F112-R116 PolarHBondContact O-N 3.36Å; Q114-R116 PolarHBondContact O-N 2.73Å; R116-A119 CarbonylContact O-C 3.58Å; R116-A119 PolarHBondContact O-N 2.74Å; R116-V120 WeakPolarHBondContact O-CB 3.25Å; R116-V120 WeakPolarHBondContact O-CG2 3.43Å; R116-V120 PolarHBondContact O-N 2.91Å
117Y42.4Very low44.8Very low112 Ų112106.6 Ų106.644%0.43953%0.532SS..Hα-helixtrans-63.3-44.6177.5177.3-91.5000110.2S113 Q114 V120 K121S113-Y117 WeakPolarHBondContact O-CA 3.36Å; S113-Y117 WeakPolarHBondContact O-CB 3.28Å; S113-Y117 PolarHBondContact O-N 2.71Å; Q114-Y117 CarbonylContact O-C 3.52Å; Q114-Y117 WeakPolarHBondContact O-CB 3.44Å; Q114-Y117 PolarHBondContact O-N 3.49Å; Y117-V120 PolarHBondContact O-N 3.2Å; Y117-K121 HydrophobicContact CE1-CD 4.13Å; Y117-K121 WeakPolarHBondContact O-CB 3.12Å; Y117-K121 PolarHBondContact O-N 3.32Å
118D47.5Very low46Very low78 Ų78101.9 Ų101.942%0.41752%0.515SS..Hα-helixtrans-69.4-36.8177.7-65.2-23.1000111.1Q114 S122Q114-D118 PolarHBondContact NE2-OD1 2.86Å; Q114-D118 VanDerWaalsContact O-CB 3.29Å; Q114-D118 WeakPolarHBondContact O-CB 3.41Å; Q114-D118 PolarHBondContact O-N 3.38Å; D118-S122 VanDerWaalsContact O-CB 3.3Å; D118-S122 WeakPolarHBondContact O-CB 3.5Å; D118-S122 PolarHBondContact O-N 3.42Å; D118-S122 PolarHBondContact O-OG 3.16Å
119A43.3Very low47Very low45 Ų45102.4 Ų102.437%0.37251%0.506SS..Hα-helixtrans-73.1-29.4174.100000113.8I115 R116 S122 K123I115-A119 WeakPolarHBondContact O-CB 3.43Å; I115-A119 PolarHBondContact O-N 2.74Å; R116-A119 CarbonylContact O-C 3.58Å; R116-A119 PolarHBondContact O-N 2.74Å; A119-S122 WeakPolarHBondContact CA-OG 3.12Å; A119-S122 PolarHBondContact O-OG 3.21Å; A119-K123 WeakPolarHBondContact O-CG 3.48Å
120V43.7Very low48.1Very low87 Ų87103.6 Ų103.653%0.52751%0.507SS..Hα-helixtrans-76.9-45.3172.8166.90000109.1R116 Y117 S122 K123 M124R116-V120 WeakPolarHBondContact O-CB 3.25Å; R116-V120 WeakPolarHBondContact O-CG2 3.43Å; R116-V120 PolarHBondContact O-N 2.91Å; Y117-V120 PolarHBondContact O-N 3.2Å; V120-S122 VanDerWaalsContact C-N 3.32Å; V120-S122 PolarHBondContact O-N 2.82Å; V120-K123 CarbonylContact O-C 3.24Å; V120-K123 VanDerWaalsContact O-C 3.25Å; V120-K123 WeakPolarHBondContact O-CA 3.21Å; V120-K123 PolarHBondContact O-N 2.87Å; V120-M124 HydrophobicContact CG1-SD 4.46Å; V120-M124 WeakPolarHBondContact O-CA 3.49Å; V120-M124 WeakPolarHBondContact O-CB 2.92Å; V120-M124 PolarHBondContact O-N 2.64Å
121K53.2Low49.1Very low93 Ų9398.1 Ų98.140%0.40449%0.488SS..Hα-helixtrans-58.2-41.9175.2-174.8177.3179.3-177.10111.7Y117 K123 M124Y117-K121 HydrophobicContact CE1-CD 4.13Å; Y117-K121 WeakPolarHBondContact O-CB 3.12Å; Y117-K121 PolarHBondContact O-N 3.32Å; K121-K123 PolarHBondContact O-N 2.68Å; K121-M124 WeakPolarHBondContact O-CB 3.36Å; K121-M124 PolarHBondContact O-N 3.26Å; K121-M124 VanDerWaalsContact O-N 3.12Å
122S51.3Low49.6Very low98 Ų9892.6 Ų92.669%0.68546%0.464SS*.THydrogen-bonded Turntrans-67.3-18.8175.870.20000113.7D118 A119 V120D118-S122 VanDerWaalsContact O-CB 3.3Å; D118-S122 WeakPolarHBondContact O-CB 3.5Å; D118-S122 PolarHBondContact O-N 3.42Å; D118-S122 PolarHBondContact O-OG 3.16Å; A119-S122 WeakPolarHBondContact CA-OG 3.12Å; A119-S122 PolarHBondContact O-OG 3.21Å; V120-S122 VanDerWaalsContact C-N 3.32Å; V120-S122 PolarHBondContact O-N 2.82Å
123K47.6Very low50.5Low184 Ų18493.8 Ų93.880%0.847%0.468SS*.THydrogen-bonded Turntrans-105.71.9173.5-66.4178.6-179.8-179.30113A119 V120 K121A119-K123 WeakPolarHBondContact O-CG 3.48Å; V120-K123 CarbonylContact O-C 3.24Å; V120-K123 VanDerWaalsContact O-C 3.25Å; V120-K123 WeakPolarHBondContact O-CA 3.21Å; V120-K123 PolarHBondContact O-N 2.87Å; K121-K123 PolarHBondContact O-N 2.68Å
124M47.7Very low51.9Low51 Ų5195.1 Ų95.125%0.25147%0.468SS..SBendtrans-81.6126.2-172.1-154.5154.885.500108.8V120 K121 L128 E129 L132V120-M124 HydrophobicContact CG1-SD 4.46Å; V120-M124 WeakPolarHBondContact O-CA 3.49Å; V120-M124 WeakPolarHBondContact O-CB 2.92Å; V120-M124 PolarHBondContact O-N 2.64Å; K121-M124 WeakPolarHBondContact O-CB 3.36Å; K121-M124 PolarHBondContact O-N 3.26Å; K121-M124 VanDerWaalsContact O-N 3.12Å; M124-L128 HydrophobicContact CG-CB 4.34Å; M124-E129 HydrophobicContact CE-CB 3.94Å; M124-E129 HydrophobicContact CE-CG 4.04Å; M124-L132 HydrophobicContact CE-CD1 3.96Å; M124-L132 HydrophobicContact SD-CD1 4.5Å
125D54.8Low52.2Low90 Ų9097.5 Ų97.548%0.48148%0.484SS..  trans-57.4127.4177.217920.9000109.8E127 L128 E129D125-E127 PolarHBondContact O-N 3.02Å; D125-L128 HydrophobicContact CB-CD1 4.21Å; D125-L128 WeakPolarHBondContact O-CB 3.47Å; D125-L128 PolarHBondContact O-N 3.15Å; D125-E129 PolarHBondContact O-N 3.49Å
126P61.4Low52.5Low98 Ų9899.5 Ų99.564%0.63649%0.489SS*.Hα-helixtrans-52.3-26.6-178.2-30.135.2000114.1K130P126-K130 WeakPolarHBondContact O-CB 3.41Å; P126-K130 PolarHBondContact O-N 3.03Å; P126-K130 VanDerWaalsContact O-N 3.08Å
127E61.3Low53Low109 Ų10994.4 Ų94.451%0.50947%0.472SS..Hα-helixtrans-72.1-33.6177.3-166.7167.7150.600113.3D125 K131D125-E127 PolarHBondContact O-N 3.02Å; E127-K131 WeakPolarHBondContact O-CG 3.19Å; E127-K131 PolarHBondContact O-N 3.08Å; E127-K131 VanDerWaalsContact O-N 3.16Å; E127-K131 WeakPolarHBondContact OE1-CE 3.19Å; E127-K131 IonicContact OE1-NZ 2.96Å; E127-K131 PolarHBondContact OE1-NZ 2.91Å
128L57.2Low53.4Low70 Ų7091.6 Ų91.637%0.36647%0.469SS..Hα-helixtrans-70.6-42.8173.2-97.5143.7000111M124 D125 K130 K131 L132M124-L128 HydrophobicContact CG-CB 4.34Å; D125-L128 HydrophobicContact CB-CD1 4.21Å; D125-L128 WeakPolarHBondContact O-CB 3.47Å; D125-L128 PolarHBondContact O-N 3.15Å; L128-K130 VanDerWaalsContact C-N 3.28Å; L128-K130 PolarHBondContact O-N 2.86Å; L128-K131 PolarHBondContact O-N 3.35Å; L128-L132 WeakPolarHBondContact O-CD1 3.22Å; L128-L132 PolarHBondContact O-N 2.93Å
129E59.8Low53.2Low52 Ų5292.7 Ų92.724%0.24347%0.474CS..Hα-helixtrans-61.1-38.3175.9-164.5-173.5169.500111.8M124 D125 K133M124-E129 HydrophobicContact CE-CB 3.94Å; M124-E129 HydrophobicContact CE-CG 4.04Å; D125-E129 PolarHBondContact O-N 3.49Å; E129-K133 WeakPolarHBondContact O-CG 3.16Å; E129-K133 PolarHBondContact O-N 3.2Å; E129-K133 VanDerWaalsContact OE1-CE 3.28Å; E129-K133 WeakPolarHBondContact OE1-CE 3.21Å; E129-K133 IonicContact OE1-NZ 2.76Å; E129-K133 PolarHBondContact OE1-NZ 2.87Å
130K63.8Low53.3Low127 Ų12796.5 Ų96.555%0.55248%0.484SS*.Hα-helixtrans-64.1-44.1174.6-174177.2177.1-1780112.3P126 L128 L132 K133 E134P126-K130 WeakPolarHBondContact O-CB 3.41Å; P126-K130 PolarHBondContact O-N 3.03Å; P126-K130 VanDerWaalsContact O-N 3.08Å; L128-K130 VanDerWaalsContact C-N 3.28Å; L128-K130 PolarHBondContact O-N 2.86Å; K130-L132 VanDerWaalsContact C-N 3.34Å; K130-L132 PolarHBondContact O-N 3.37Å; K130-K133 PolarHBondContact O-N 3.26Å; K130-E134 WeakPolarHBondContact CE-OE1 2.84Å; K130-E134 WeakPolarHBondContact CG-OE1 3.41Å; K130-E134 WeakPolarHBondContact O-CB 3.13Å; K130-E134 VanDerWaalsContact O-CG 3.29Å; K130-E134 WeakPolarHBondContact O-CG 3.26Å; K130-E134 PolarHBondContact O-N 3.1Å
131K57.1Low53.6Low79 Ų7994.7 Ų94.734%0.34348%0.476SS..Hα-helixtrans-67.5-32.8179.4-71.6169.4-174.3163.60112.8E127 L128 K136 I137E127-K131 WeakPolarHBondContact O-CG 3.19Å; E127-K131 PolarHBondContact O-N 3.08Å; E127-K131 VanDerWaalsContact O-N 3.16Å; E127-K131 WeakPolarHBondContact OE1-CE 3.19Å; E127-K131 IonicContact OE1-NZ 2.96Å; E127-K131 PolarHBondContact OE1-NZ 2.91Å; L128-K131 PolarHBondContact O-N 3.35Å; K131-K136 PolarHBondContact O-N 3.49Å; K131-K136 VanDerWaalsContact O-N 3.08Å; K131-I137 HydrophobicContact CB-CD1 3.61Å; K131-I137 HydrophobicContact CB-CG1 4.05Å; K131-I137 HydrophobicContact CD-CD1 4.17Å; K131-I137 HydrophobicContact CG-CD1 4.44Å
132L51.1Low53.7Low37 Ų3793 Ų9319%0.19447%0.469CS..Hα-helixtrans-67.8-45171.5-89.8141.2000112.2M124 L128 K130 E134 N135 L139M124-L132 HydrophobicContact CE-CD1 3.96Å; M124-L132 HydrophobicContact SD-CD1 4.5Å; L128-L132 WeakPolarHBondContact O-CD1 3.22Å; L128-L132 PolarHBondContact O-N 2.93Å; K130-L132 VanDerWaalsContact C-N 3.34Å; K130-L132 PolarHBondContact O-N 3.37Å; L132-E134 VanDerWaalsContact C-N 3.29Å; L132-E134 PolarHBondContact O-N 3.44Å; L132-N135 PolarHBondContact O-N 2.97Å; L132-N135 VanDerWaalsContact O-N 3.15Å; L132-L139 HydrophobicContact CD2-CD1 4.5Å; L132-L139 HydrophobicContact CD2-CD2 3.85Å; L132-L139 HydrophobicContact CD2-CG 3.65Å
133K56.9Low53.4Low150 Ų15095.3 Ų95.365%0.65246%0.464SS*.Hα-helixtrans-66.7-29.3176.2-74.4177.6-174.7165.80113.2E129 K130 N135E129-K133 WeakPolarHBondContact O-CG 3.16Å; E129-K133 PolarHBondContact O-N 3.2Å; E129-K133 VanDerWaalsContact OE1-CE 3.28Å; E129-K133 WeakPolarHBondContact OE1-CE 3.21Å; E129-K133 IonicContact OE1-NZ 2.76Å; E129-K133 PolarHBondContact OE1-NZ 2.87Å; K130-K133 PolarHBondContact O-N 3.26Å; K133-N135 PolarHBondContact O-N 2.69Å
134E65.1Low53.7Low86 Ų8691.3 Ų91.340%0.40245%0.448SS..THydrogen-bonded Turntrans-81.47.1175.3-70.2175.7-175.500113.2K130 L132 K136K130-E134 WeakPolarHBondContact CE-OE1 2.84Å; K130-E134 WeakPolarHBondContact CG-OE1 3.41Å; K130-E134 WeakPolarHBondContact O-CB 3.13Å; K130-E134 VanDerWaalsContact O-CG 3.29Å; K130-E134 WeakPolarHBondContact O-CG 3.26Å; K130-E134 PolarHBondContact O-N 3.1Å; L132-E134 VanDerWaalsContact C-N 3.29Å; L132-E134 PolarHBondContact O-N 3.44Å; E134-K136 HydrophobicContact CB-CD 4.15Å; E134-K136 HydrophobicContact CB-CG 4.1Å; E134-K136 PolarHBondContact O-N 2.69Å; E134-K136 WeakPolarHBondContact OE2-CD 3.49Å; E134-K136 VanDerWaalsContact OE2-CE 3.25Å; E134-K136 WeakPolarHBondContact OE2-CE 3.24Å; E134-K136 IonicContact OE2-NZ 3.73Å; E134-K136 PolarHBondContact OE2-NZ 3.29Å
135N50.1Low53.9Low150 Ų15095.1 Ų95.180%0.80246%0.463SS*.THydrogen-bonded Turntrans52.622.5-176.4-78.9-14.9000114.1L132 K133 I137L132-N135 PolarHBondContact O-N 2.97Å; L132-N135 VanDerWaalsContact O-N 3.15Å; K133-N135 PolarHBondContact O-N 2.69Å; N135-I137 VanDerWaalsContact C-N 3.27Å; N135-I137 PolarHBondContact O-N 2.69Å
136K48.9Very low53.5Low148 Ų14894.6 Ų94.664%0.64346%0.46SS*.SBendtrans-77.7-16.3179-72.8177.5177.1164.70112.5K131 E134K131-K136 PolarHBondContact O-N 3.49Å; K131-K136 VanDerWaalsContact O-N 3.08Å; E134-K136 HydrophobicContact CB-CD 4.15Å; E134-K136 HydrophobicContact CB-CG 4.1Å; E134-K136 PolarHBondContact O-N 2.69Å; E134-K136 WeakPolarHBondContact OE2-CD 3.49Å; E134-K136 VanDerWaalsContact OE2-CE 3.25Å; E134-K136 WeakPolarHBondContact OE2-CE 3.24Å; E134-K136 IonicContact OE2-NZ 3.73Å; E134-K136 PolarHBondContact OE2-NZ 3.29Å
137I48.2Very low52.8Low39 Ų3994.1 Ų94.120%0.245%0.448CS..SBendtrans-144.9137.1-179.9-31.3173.4000107.3K131 N135 E142K131-I137 HydrophobicContact CB-CD1 3.61Å; K131-I137 HydrophobicContact CB-CG1 4.05Å; K131-I137 HydrophobicContact CD-CD1 4.17Å; K131-I137 HydrophobicContact CG-CD1 4.44Å; N135-I137 VanDerWaalsContact C-N 3.27Å; N135-I137 PolarHBondContact O-N 2.69Å; I137-E142 HydrophobicContact CG2-CG 3.67Å
138S51.7Low52.2Low53 Ų5395.1 Ų95.137%0.37146%0.456SS..  trans-94.4144.51751330000110.1E140 S141 E142S138-E140 PolarHBondContact O-N 3.04Å; S138-E140 WeakPolarHBondContact OG-CB 3.37Å; S138-E140 PolarHBondContact OG-N 3.2Å; S138-E140 PolarHBondContact OG-OE2 3.12Å; S138-S141 PolarHBondContact N-OG 3.36Å; S138-S141 PolarHBondContact O-N 3.27Å; S138-S141 PolarHBondContact O-OG 3.28Å; S138-S141 PolarHBondContact OG-N 2.75Å; S138-E142 PolarHBondContact O-N 3.07Å
139L43.2Very low51.6Low100 Ų10094.5 Ų94.552%0.52446%0.458SS..Hα-helixtrans-53.3-41.8174.7-81.9157.8000111.7L132 S141 E142 Y143L132-L139 HydrophobicContact CD2-CD1 4.5Å; L132-L139 HydrophobicContact CD2-CD2 3.85Å; L132-L139 HydrophobicContact CD2-CG 3.65Å; L139-S141 VanDerWaalsContact C-N 3.35Å; L139-S141 PolarHBondContact O-N 3.17Å; L139-E142 PolarHBondContact O-N 3.31Å; L139-Y143 WeakPolarHBondContact O-CB 3.47Å; L139-Y143 PolarHBondContact O-N 3.34Å
140E46.3Very low51Low125 Ų12599.3 Ų99.358%0.58448%0.478SS*.Hα-helixtrans-63.5-40177.4-63.969.8-156.300111.3S138 Y143 E144S138-E140 PolarHBondContact O-N 3.04Å; S138-E140 WeakPolarHBondContact OG-CB 3.37Å; S138-E140 PolarHBondContact OG-N 3.2Å; S138-E140 PolarHBondContact OG-OE2 3.12Å; E140-Y143 PolarHBondContact O-N 2.85Å; E140-E144 VanDerWaalsContact O-CB 3.3Å; E140-E144 WeakPolarHBondContact O-CB 3.36Å; E140-E144 WeakPolarHBondContact O-CG 3.44Å; E140-E144 PolarHBondContact O-N 3.18Å
141S49.3Very low50Low49 Ų49100.6 Ų100.634%0.34348%0.484SS..Hα-helixtrans-70.9-31.2-179.4700000113.9S138 L139 K145S138-S141 PolarHBondContact N-OG 3.36Å; S138-S141 PolarHBondContact O-N 3.27Å; S138-S141 PolarHBondContact O-OG 3.28Å; S138-S141 PolarHBondContact OG-N 2.75Å; L139-S141 VanDerWaalsContact C-N 3.35Å; L139-S141 PolarHBondContact O-N 3.17Å; S141-K145 WeakPolarHBondContact O-CG 3.46Å
142E54.2Low49.3Very low57 Ų57102.5 Ų102.527%0.26650%0.498SS..Hα-helixtrans-78.7-40171.8-74.5-61.4142.800111.3I137 S138 L139 E144 K145 I146I137-E142 HydrophobicContact CG2-CG 3.67Å; S138-E142 PolarHBondContact O-N 3.07Å; L139-E142 PolarHBondContact O-N 3.31Å; E142-E144 VanDerWaalsContact C-N 3.28Å; E142-E144 PolarHBondContact O-N 3.08Å; E142-K145 WeakPolarHBondContact O-CB 3.23Å; E142-K145 PolarHBondContact O-N 2.72Å; E142-K145 IonicContact OE1-NZ 2.57Å; E142-K145 PolarHBondContact OE1-NZ 3.37Å; E142-I146 WeakPolarHBondContact O-CG1 3.37Å; E142-I146 PolarHBondContact O-N 3.41Å
143Y46.3Very low48.8Very low147 Ų147105.8 Ų105.858%0.57652%0.515SS*.Hα-helixtrans-56-44.1172.6177.5-100.2000111.3L139 E140 K145 I146 K147L139-Y143 WeakPolarHBondContact O-CB 3.47Å; L139-Y143 PolarHBondContact O-N 3.34Å; E140-Y143 PolarHBondContact O-N 2.85Å; Y143-K145 PolarHBondContact O-N 3.41Å; Y143-I146 CarbonylContact O-C 3.54Å; Y143-I146 PolarHBondContact O-N 2.85Å; Y143-I146 VanDerWaalsContact O-N 3.12Å; Y143-K147 HydrophobicContact CD1-CB 4.38Å; Y143-K147 HydrophobicContact CE1-CB 4.1Å; Y143-K147 WeakPolarHBondContact O-CA 3.24Å; Y143-K147 VanDerWaalsContact O-CB 3.23Å; Y143-K147 WeakPolarHBondContact O-CB 3.37Å; Y143-K147 PolarHBondContact O-N 3.35Å
144E52.4Low47.9Very low100 Ų100107.3 Ų107.347%0.46752%0.517SS..Hα-helixtrans-63.8-26177.5-74.5-74.7125.400113.9E140 E142 K147E140-E144 VanDerWaalsContact O-CB 3.3Å; E140-E144 WeakPolarHBondContact O-CB 3.36Å; E140-E144 WeakPolarHBondContact O-CG 3.44Å; E140-E144 PolarHBondContact O-N 3.18Å; E142-E144 VanDerWaalsContact C-N 3.28Å; E142-E144 PolarHBondContact O-N 3.08Å; E144-K147 VanDerWaalsContact CD-CE 3.46Å; E144-K147 WeakPolarHBondContact O-CG 3.09Å; E144-K147 VanDerWaalsContact OE1-CD 3.25Å; E144-K147 WeakPolarHBondContact OE1-CD 3.19Å; E144-K147 WeakPolarHBondContact OE1-CE 3.45Å; E144-K147 IonicContact OE1-NZ 2.68Å; E144-K147 PolarHBondContact OE1-NZ 3Å; E144-K147 WeakPolarHBondContact OE2-CE 3.1Å; E144-K147 IonicContact OE2-NZ 2.76Å; E144-K147 PolarHBondContact OE2-NZ 3.25Å
145K53.2Low46.5Very low131 Ų131111.2 Ų111.257%0.5753%0.533SS*.Hα-helixtrans-77.3-31.8174.2-67.9169.3-168.1173.20112.3S141 E142 Y143S141-K145 WeakPolarHBondContact O-CG 3.46Å; E142-K145 WeakPolarHBondContact O-CB 3.23Å; E142-K145 PolarHBondContact O-N 2.72Å; E142-K145 IonicContact OE1-NZ 2.57Å; E142-K145 PolarHBondContact OE1-NZ 3.37Å; Y143-K145 PolarHBondContact O-N 3.41Å
146I45.4Very low46.1Very low79 Ų79111.4 Ų111.441%0.40553%0.534SS..Hα-helixtrans-105.4-10.9-173.772.2173.8000113.1E142 Y143 D148 S149 F151E142-I146 WeakPolarHBondContact O-CG1 3.37Å; E142-I146 PolarHBondContact O-N 3.41Å; Y143-I146 CarbonylContact O-C 3.54Å; Y143-I146 PolarHBondContact O-N 2.85Å; Y143-I146 VanDerWaalsContact O-N 3.12Å; I146-D148 PolarHBondContact O-N 2.71Å; I146-S149 WeakPolarHBondContact O-CB 3.25Å; I146-S149 PolarHBondContact O-N 3.21Å; I146-F151 HydrophobicContact CB-CE2 3.95Å; I146-F151 HydrophobicContact CB-CZ 4.25Å; I146-F151 HydrophobicContact CG1-CE2 4.47Å; I146-F151 WeakPolarHBondContact O-CE2 3.3Å
147K47.4Very low45.7Very low89 Ų89111 Ų11139%0.38754%0.538SS..THydrogen-bonded Turntrans-61.6-30.7-17966.7174.4-177174.80113.3Y143 E144Y143-K147 HydrophobicContact CD1-CB 4.38Å; Y143-K147 HydrophobicContact CE1-CB 4.1Å; Y143-K147 WeakPolarHBondContact O-CA 3.24Å; Y143-K147 VanDerWaalsContact O-CB 3.23Å; Y143-K147 WeakPolarHBondContact O-CB 3.37Å; Y143-K147 PolarHBondContact O-N 3.35Å; E144-K147 VanDerWaalsContact CD-CE 3.46Å; E144-K147 WeakPolarHBondContact O-CG 3.09Å; E144-K147 VanDerWaalsContact OE1-CD 3.25Å; E144-K147 WeakPolarHBondContact OE1-CD 3.19Å; E144-K147 WeakPolarHBondContact OE1-CE 3.45Å; E144-K147 IonicContact OE1-NZ 2.68Å; E144-K147 PolarHBondContact OE1-NZ 3Å; E144-K147 WeakPolarHBondContact OE2-CE 3.1Å; E144-K147 IonicContact OE2-NZ 2.76Å; E144-K147 PolarHBondContact OE2-NZ 3.25Å
148D47.8Very low45.2Very low129 Ų129118.5 Ų118.569%0.6956%0.563SS**THydrogen-bonded Turntrans-94.7-4.7179.1-64.3-39.7000111.5I146 K150I146-D148 PolarHBondContact O-N 2.71Å; D148-K150 PolarHBondContact O-N 3.14Å
149S44.5Very low44.7Very low57 Ų57119 Ų11940%0.39958%0.577SS.*SBendtrans-71119.9167.4-60.20000108.1I146 F151I146-S149 WeakPolarHBondContact O-CB 3.25Å; I146-S149 PolarHBondContact O-N 3.21Å; S149-F151 VanDerWaalsContact C-N 3.25Å; S149-F151 VanDerWaalsContact CB-CE2 3.44Å; S149-F151 VanDerWaalsContact O-CD2 3.24Å; S149-F151 WeakPolarHBondContact O-CD2 3.47Å; S149-F151 PolarHBondContact O-N 2.96Å
150K48.5Very low44.6Very low153 Ų153118.7 Ų118.767%0.66558%0.581SS**  trans-75.977-180-67.3-169.4-180-178.50111D148 D152D148-K150 PolarHBondContact O-N 3.14Å; K150-D152 PolarHBondContact O-N 2.57Å
151F42.3Very low44.5Very low155 Ų155119.1 Ų119.168%0.6858%0.577SS**SBendtrans-67.9-20.4168.1-61.1-74.6000112I146 S149I146-F151 HydrophobicContact CB-CE2 3.95Å; I146-F151 HydrophobicContact CB-CZ 4.25Å; I146-F151 HydrophobicContact CG1-CE2 4.47Å; I146-F151 WeakPolarHBondContact O-CE2 3.3Å; S149-F151 VanDerWaalsContact C-N 3.25Å; S149-F151 VanDerWaalsContact CB-CE2 3.44Å; S149-F151 VanDerWaalsContact O-CD2 3.24Å; S149-F151 WeakPolarHBondContact O-CD2 3.47Å; S149-F151 PolarHBondContact O-N 2.96Å
152D41.6Very low44Very low118 Ų118119.7 Ų119.763%0.63158%0.579SS**  trans-111.764176.3-67-36.6000110.6K150 W154K150-D152 PolarHBondContact O-N 2.57Å; D152-W154 VanDerWaalsContact O-CD1 3.25Å; D152-W154 PolarHBondContact O-N 3.11Å
153D40.5Very low43.8Very low106 Ų106125.2 Ų125.257%0.56760%0.598SS**  trans-7074.1165.2-158.68.3000110.2K155D153-K155 VanDerWaalsContact C-N 3.28Å
154W40Very low43.6Very low182 Ų182124.3 Ų124.369%0.68960%0.599SS**G310 helixtrans-83.1-1.8-178.575.8-74.1000112.9D152 N156 I157D152-W154 VanDerWaalsContact O-CD1 3.25Å; D152-W154 PolarHBondContact O-N 3.11Å; W154-N156 PolarHBondContact O-N 3.18Å; W154-I157 PolarHBondContact O-N 2.98Å
155K35.6Very low43.5Very low169 Ų169121.6 Ų121.674%0.73559%0.588SS**G310 helixtrans-58.1-11.1172-83.1-168.6172.4-170.40113.3D153D153-K155 VanDerWaalsContact C-N 3.28Å
156N40.5Very low43.1Very low153 Ų153119.5 Ų119.582%0.81859%0.587SS**G310 helixtrans-88.3-2.3178.5-126.62000115.4W154W154-N156 PolarHBondContact O-N 3.18Å
157I41.6Very low43.3Very low141 Ų141120.8 Ų120.872%0.72360%0.595SS**THydrogen-bonded Turntrans-128.4-26-171.2-50.1-175.8000116W154W154-I157 PolarHBondContact O-N 2.98Å
158R36.7Very low43.2Very low196 Ų196120.3 Ų120.374%0.7460%0.596SS**  trans-142.4118.7178.8-66.4-169.6179-175.50.3113.3
159G41.5Very low42.9Very low63 Ų63120 Ų12065%0.64959%0.594SS**PPolyproline II helixtrans-66.6174168.200000112.8
160P41.8Very low43Very low94 Ų94124.8 Ų124.861%0.6161%0.61SS**PPolyproline II helixtrans-63.2143.6-173.525.6-32.9000111.9
161R44.2Very low42.7Very low133 Ų133121.2 Ų121.250%0.50262%0.617SS.*PPolyproline II helixtrans-77.4148.1-177.3-57.6-154.9-161.9-161.717.1111.5W163 E164 D165R161-W163 HydrophobicContact CB-CD2 4.11Å; R161-W163 HydrophobicContact CB-CE3 4.46Å; R161-W163 HydrophobicContact CB-CH2 4.43Å; R161-W163 HydrophobicContact CB-CZ2 4.07Å; R161-W163 HydrophobicContact CG-CZ2 4.24Å; R161-W163 PolarHBondContact O-N 3.01Å; R161-E164 HydrophobicContact CB-CB 4.45Å; R161-E164 HydrophobicContact CB-CG 4.07Å; R161-E164 WeakPolarHBondContact CB-OE2 3.41Å; R161-E164 WeakPolarHBondContact CG-OE2 3.35Å; R161-E164 PolarHBondContact N-OE2 3.07Å; R161-E164 WeakPolarHBondContact O-CB 3.47Å; R161-E164 PolarHBondContact O-N 3.32Å; R161-D165 PolarHBondContact O-N 2.9Å
162P38.9Very low42.5Very low61 Ų61121 Ų12140%0.39661%0.611SS.*THydrogen-bonded Turntrans-60.6-17.3-176.6-2635000116.5D165 L169P162-D165 VanDerWaalsContact O-O 3.13Å; P162-L169 HydrophobicContact CB-CD2 4.03Å; P162-L169 HydrophobicContact CB-CG 4.45Å; P162-L169 WeakPolarHBondContact O-CD1 3.31Å; P162-L169 WeakPolarHBondContact O-CG 3.42Å
163W48.5Very low42.6Very low174 Ų174120.2 Ų120.266%0.65961%0.607SS**THydrogen-bonded Turntrans-99.3-6.4174.854.583.5000113.5R161R161-W163 HydrophobicContact CB-CD2 4.11Å; R161-W163 HydrophobicContact CB-CE3 4.46Å; R161-W163 HydrophobicContact CB-CH2 4.43Å; R161-W163 HydrophobicContact CB-CZ2 4.07Å; R161-W163 HydrophobicContact CG-CZ2 4.24Å; R161-W163 PolarHBondContact O-N 3.01Å
164E43.2Very low42.6Very low127 Ų127120.5 Ų120.559%0.59362%0.615SS**THydrogen-bonded Turntrans-89.7-16.3170.7-65.2167.4173.300111.1R161R161-E164 HydrophobicContact CB-CB 4.45Å; R161-E164 HydrophobicContact CB-CG 4.07Å; R161-E164 WeakPolarHBondContact CB-OE2 3.41Å; R161-E164 WeakPolarHBondContact CG-OE2 3.35Å; R161-E164 PolarHBondContact N-OE2 3.07Å; R161-E164 WeakPolarHBondContact O-CB 3.47Å; R161-E164 PolarHBondContact O-N 3.32Å
165D48.9Very low42.7Very low44 Ų44119.5 Ų119.524%0.23562%0.618CS.*  trans-134.395172.5-176.1-5.6000110R161 P162 D167 L168R161-D165 PolarHBondContact O-N 2.9Å; P162-D165 VanDerWaalsContact O-O 3.13Å; D165-D167 PolarHBondContact O-N 3.17Å; D165-D167 VanDerWaalsContact O-N 3.13Å; D165-D167 VanDerWaalsContact OD1-CB 3.31Å; D165-D167 WeakPolarHBondContact OD1-CB 3.36Å; D165-D167 PolarHBondContact OD1-N 3.32Å; D165-L168 HydrophobicContact CB-CD1 3.79Å; D165-L168 HydrophobicContact CB-CG 3.88Å; D165-L168 WeakPolarHBondContact O-CB 3.35Å; D165-L168 PolarHBondContact O-N 3.02Å
166P45.6Very low43.1Very low86 Ų86115 Ų11556%0.55861%0.608SS**G310 helixtrans-59.2-20.7179.4-21.932.4000114.1L168 L169P166-L168 PolarHBondContact O-N 3.13Å; P166-L169 PolarHBondContact O-N 3.07Å
167D49.1Very low43.1Very low107 Ų107114.7 Ų114.757%0.57261%0.605SS**G310 helixtrans-74.7-7.6177.1-61.4-23.9000112.3D165D165-D167 PolarHBondContact O-N 3.17Å; D165-D167 VanDerWaalsContact O-N 3.13Å; D165-D167 VanDerWaalsContact OD1-CB 3.31Å; D165-D167 WeakPolarHBondContact OD1-CB 3.36Å; D165-D167 PolarHBondContact OD1-N 3.32Å
168L46.2Very low43.2Very low78 Ų78116.5 Ų116.541%0.40861%0.608SS.*G310 helixtrans-85.5-16.9170-61.9177.6000113D165 P166D165-L168 HydrophobicContact CB-CD1 3.79Å; D165-L168 HydrophobicContact CB-CG 3.88Å; D165-L168 WeakPolarHBondContact O-CB 3.35Å; D165-L168 PolarHBondContact O-N 3.02Å; P166-L168 PolarHBondContact O-N 3.13Å
169L41.3Very low43.6Very low123 Ų123113.2 Ų113.264%0.64461%0.61SS**THydrogen-bonded Turntrans-95-28-179.4-68.5173.3000113P162 P166P162-L169 HydrophobicContact CB-CD2 4.03Å; P162-L169 HydrophobicContact CB-CG 4.45Å; P162-L169 WeakPolarHBondContact O-CD1 3.31Å; P162-L169 WeakPolarHBondContact O-CG 3.42Å; P166-L169 PolarHBondContact O-N 3.07Å
170Q45.9Very low43.2Very low157 Ų157119.6 Ų119.673%0.73462%0.62SS**SBendtrans-86.9110.7168.4-61.9-167.122.800107.4R172Q170-R172 PolarHBondContact O-N 2.98Å
171G43.6Very low43Very low78 Ų78121.7 Ų121.780%0.80463%0.631SS**  trans-45112.7179.800000110.4N173G171-N173 PolarHBondContact O-N 2.91Å
172R37.3Very low42.7Very low150 Ų150125.1 Ų125.157%0.56667%0.667SS**  trans-58.6115.7177-74.2-172.1-164173.94.2107.7Q170Q170-R172 PolarHBondContact O-N 2.98Å
173N43Very low42.9Very low103 Ų103128.3 Ų128.355%0.55168%0.68SS**  trans-49.1125.6158.2-179.9-0.1000107.8G171 E175 S176G171-N173 PolarHBondContact O-N 2.91Å; N173-E175 PolarHBondContact O-N 3.32Å; N173-E175 PolarHBondContact OD1-N 3.48Å; N173-S176 PolarHBondContact O-N 3.36Å; N173-S176 PolarHBondContact O-OG 2.93Å
174P41.3Very low42.6Very low111 Ų111125.9 Ų125.972%0.72168%0.681SS**G310 helixtrans-60.4-8-175.819.4-30.8000115
175E42.8Very low42.5Very low161 Ų161125.8 Ų125.875%0.75269%0.686SS**G310 helixtrans-78-13.9176.5-69.5-149.7140.700115.8N173 L177N173-E175 PolarHBondContact O-N 3.32Å; N173-E175 PolarHBondContact OD1-N 3.48Å; E175-L177 VanDerWaalsContact C-N 3.26Å; E175-L177 PolarHBondContact O-N 3.26Å
176S42.3Very low42.2Very low75 Ų75130.6 Ų130.652%0.52471%0.713SS.*G310 helixtrans-80.80.6-17964.10000114.9N173 K178N173-S176 PolarHBondContact O-N 3.36Å; N173-S176 PolarHBondContact O-OG 2.93Å; S176-K178 PolarHBondContact O-N 3.31Å
177L41.3Very low42Very low146 Ų146133.4 Ų133.476%0.76472%0.722SS**G310 helixtrans-80.88.8176.7-88.5162000114.5E175E175-L177 VanDerWaalsContact C-N 3.26Å; E175-L177 PolarHBondContact O-N 3.26Å
178K43.9Very low41.5Very low179 Ų179135.2 Ų135.278%0.77873%0.732SS**SBendtrans-108.3121.8172.9-65.5-174.2-176.6177.50110.1S176S176-K178 PolarHBondContact O-N 3.31Å
179T45.2Very low41.1Very low127 Ų127139.3 Ų139.378%0.77976%0.756SS**  trans81.4116178.881.50000112.3
180K33.4Very low41.1Very low197 Ų197140.5 Ų140.586%0.85776%0.764SS**  cis-145.5111.347.6-75.2169.9173.51770111.3
181T37.3Very low40.7Very low138 Ų138139.2 Ų139.285%0.84777%0.767SS**  trans-78.4124.6140.9-48.60000106.3
182T37.5Very low40.5Very low205 Ų205144.7 Ų144.7100%1.25876%0.763SS**  trans163.80133.5-58.10000107.8

Retrieved 182 of 182 residues in 1093.5 ms (Link to these results)

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