A0A087WUL2_HUMAN Loading...

Proteasome subunit beta type-3

AlphaFold DB , UniProt , Accession A0A087WUL2, Species HUMAN (Homo sapiens, Human), Gene PSMB3, Length 145 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
1M70.6Confident91.4Very high88 Ų8841.6 Ų41.643%0.43322%0.221SC..  0-14.20-78.9-167.3-84.600114.8E103 L123M1-E103 HydrophobicContact CE-CG 4.02Å; M1-E103 WeakPolarHBondContact CE-OE1 3.46Å; M1-E103 VanDerWaalsContact SD-CD 3.55Å; M1-E103 HydrophobicContact SD-CG 3.58Å; M1-E103 VanDerWaalsContact SD-CG 3.58Å; M1-E103 VanDerWaalsContact SD-OE1 3.37Å; M1-L123 HydrophobicContact CE-CD2 3.67Å; M1-L123 HydrophobicContact CE-CG 4.47Å; M1-L123 HydrophobicContact SD-CD2 4.35Å
2S87.3Confident91.8Very high94 Ų9443.6 Ų43.666%0.65723%0.226SC*.  trans-86.2-4.5-175.151.60000116.4N4 G5S2-N4 PolarHBondContact O-N 3.02Å; S2-G5 PolarHBondContact O-N 3.02Å; S2-G5 VanDerWaalsContact O-N 3.16Å
3Y91.6Very high92Very high113 Ų11342.7 Ų42.744%0.44323%0.234SC..SBendtrans-56-48.5-171.4-176.5-104.7000113.3I27 Q28 L53Y3-I27 HydrophobicContact CE1-CG1 4.4Å; Y3-I27 HydrophobicContact CE1-CG2 4.19Å; Y3-I27 HydrophobicContact CE2-CG2 4.11Å; Y3-I27 VanDerWaalsContact OH-CG2 3.29Å; Y3-I27 WeakPolarHBondContact OH-CG2 3.34Å; Y3-Q28 HydrophobicContact CD2-CG 3.92Å; Y3-Q28 HydrophobicContact CE2-CG 4.01Å; Y3-Q28 PolarHBondContact O-N 3.18Å; Y3-L53 HydrophobicContact CD1-CD1 4.24Å
4N93.8Very high92.1Very high9 Ų953.4 Ų53.45%0.04828%0.277CS..SBendtrans-91.6-14.6177.5-59.9119000114.1S2 F25 G26 L53 A54S2-N4 PolarHBondContact O-N 3.02Å; N4-F25 HydrophobicContact CB-CD2 4.08Å; N4-F25 HydrophobicContact CB-CE2 3.98Å; N4-F25 WeakPolarHBondContact ND2-CE2 3.37Å; N4-G26 WeakPolarHBondContact CA-O 3.35Å; N4-G26 PolarHBondContact ND2-O 2.89Å; N4-G26 PolarHBondContact O-N 3.12Å; N4-L53 WeakPolarHBondContact OD1-CD1 3.42Å; N4-A54 HydrophobicContact CB-CB 4.35Å; N4-A54 PolarHBondContact OD1-N 2.88Å
5G91.4Very high92Very high6 Ų657.7 Ų57.76%0.06230%0.301CS..  trans67.8-175.6-165.800000112.5S2S2-G5 PolarHBondContact O-N 3.02Å; S2-G5 VanDerWaalsContact O-N 3.16Å
6G91.4Very high92.1Very high2 Ų258.3 Ų58.32%0.02131%0.31CS..  trans130.7153.8176.200000111.5D22 G137 T138G6-D22 VanDerWaalsContact CA-OD1 3.25Å; G6-D22 WeakPolarHBondContact CA-OD1 3.18Å; G6-G137 CarbonylContact O-C 3.53Å; G6-G137 WeakPolarHBondContact O-CA 3.46Å; G6-T138 PolarHBondContact N-OG1 2.77Å; G6-T138 PolarHBondContact O-N 3.5Å; G6-T138 PolarHBondContact O-OG1 2.95Å
7A94.3Very high92.4Very high12 Ų1257 Ų5710%0.09931%0.305CS..EExtended strand (participates in β ladder)trans-148.6135.3-177.300000109.2A21 D22 S136 C139 M143A7-A21 VanDerWaalsContact O-CA 3.25Å; A7-A21 WeakPolarHBondContact O-CA 3.21Å; A7-D22 PolarHBondContact N-OD1 2.97Å; A7-D22 PolarHBondContact O-N 2.88Å; A7-D22 VanDerWaalsContact O-N 3.1Å; A7-D22 VanDerWaalsContact O-OD1 3.12Å; A7-S136 WeakPolarHBondContact CA-O 3.26Å; A7-C139 WeakPolarHBondContact CB-SG 3.38Å; A7-M143 HydrophobicContact CB-CE 3.76Å; A7-M143 HydrophobicContact CB-SD 4.07Å
8V96Very high92.6Very high1 Ų157.4 Ų57.41%0.00632%0.317CS..EExtended strand (participates in β ladder)trans-134.9137175.7-179.70000108I19 A20 A21 K38 A51 V105 V135 S136V8-I19 HydrophobicContact CG1-CD1 4.28Å; V8-I19 HydrophobicContact CG1-CG1 4.27Å; V8-A20 WeakPolarHBondContact CA-O 3.4Å; V8-A21 HydrophobicContact CG2-CB 3.88Å; V8-K38 HydrophobicContact CG2-CB 4.37Å; V8-A51 HydrophobicContact CG2-CB 3.99Å; V8-V105 HydrophobicContact CB-CG2 4.33Å; V8-V105 HydrophobicContact CG1-CB 3.79Å; V8-V105 HydrophobicContact CG1-CG1 4.24Å; V8-V105 HydrophobicContact CG1-CG2 3.98Å; V8-V135 CarbonylContact O-C 3.6Å; V8-V135 WeakPolarHBondContact O-CA 3.26Å; V8-S136 PolarHBondContact N-O 3Å; V8-S136 PolarHBondContact O-N 3.27Å
9M95.8Very high92.9Very high35 Ų3556.3 Ų56.317%0.17231%0.311CS..EExtended strand (participates in β ladder)trans-136.2145.4174.7175.8-174-80.600109.5M11 I19 A20 V134 V135 M143M9-M11 HydrophobicContact CE-CE 4.35Å; M9-M11 HydrophobicContact CG-CG 4.44Å; M9-M11 HydrophobicContact SD-CE 3.34Å; M9-M11 WeakPolarHBondContact SD-CE 3.23Å; M9-M11 HydrophobicContact SD-CG 4.33Å; M9-I19 CarbonylContact O-C 3.57Å; M9-I19 WeakPolarHBondContact O-CA 3.31Å; M9-A20 PolarHBondContact N-O 3.2Å; M9-A20 PolarHBondContact O-N 3.05Å; M9-V134 CarbonylContact C-O 3.53Å; M9-V134 VanDerWaalsContact CA-O 3.28Å; M9-V134 WeakPolarHBondContact CA-O 3.21Å; M9-V134 WeakPolarHBondContact CG-O 3.36Å; M9-V135 HydrophobicContact CB-CG1 4.31Å; M9-V135 HydrophobicContact CE-CG1 3.38Å; M9-V135 HydrophobicContact CG-CG1 3.97Å; M9-V135 HydrophobicContact SD-CG1 4.49Å; M9-M143 HydrophobicContact CB-SD 4.12Å; M9-M143 HydrophobicContact CE-CB 3.59Å; M9-M143 HydrophobicContact CE-CG 3.91Å; M9-M143 VanDerWaalsContact CE-O 3.31Å; M9-M143 WeakPolarHBondContact CE-O 3.24Å; M9-M143 HydrophobicContact CE-SD 4.1Å
10A97.1Very high93.1Very high1 Ų156.7 Ų56.71%0.00832%0.321CS..EExtended strand (participates in β ladder)trans-129146.6166.200000111A18 I19 V105 A107 I118 F133 V134A10-A18 CarbonylContact C-O 3.6Å; A10-A18 WeakPolarHBondContact CA-O 3.41Å; A10-I19 HydrophobicContact CB-CB 4.28Å; A10-I19 HydrophobicContact CB-CG1 4.23Å; A10-V105 HydrophobicContact CB-CG1 3.6Å; A10-A107 HydrophobicContact CB-CB 3.84Å; A10-I118 HydrophobicContact CB-CG2 4.14Å; A10-F133 CarbonylContact O-C 3.56Å; A10-F133 WeakPolarHBondContact O-CA 3.48Å; A10-F133 WeakPolarHBondContact O-CB 3.46Å; A10-V134 HydrophobicContact CB-CG2 3.8Å; A10-V134 PolarHBondContact N-O 2.84Å; A10-V134 PolarHBondContact O-N 3.49Å
11M96.6Very high93.2Very high97 Ų9755.2 Ų55.248%0.47832%0.316SS..EExtended strand (participates in β ladder)trans-130.3144.6178.2-64.2-170.3173.600110.2M9 V17 A18 F133M9-M11 HydrophobicContact CE-CE 4.35Å; M9-M11 HydrophobicContact CG-CG 4.44Å; M9-M11 HydrophobicContact SD-CE 3.34Å; M9-M11 WeakPolarHBondContact SD-CE 3.23Å; M9-M11 HydrophobicContact SD-CG 4.33Å; M11-V17 WeakPolarHBondContact O-CA 3.34Å; M11-A18 PolarHBondContact N-O 2.94Å; M11-A18 PolarHBondContact O-N 3.15Å; M11-F133 HydrophobicContact CG-CB 3.83Å
12K96.1Very high94.4Very high65 Ų6553.3 Ų53.328%0.28331%0.308SS..EExtended strand (participates in β ladder)trans-102.1129.1175.3172.2167.1170.5-166.80109.5P116 I118 D131 D132K12-P116 HydrophobicContact CD-CB 4.13Å; K12-P116 HydrophobicContact CD-CG 4.2Å; K12-P116 WeakPolarHBondContact CE-O 3.27Å; K12-P116 HydrophobicContact CG-CB 3.93Å; K12-P116 HydrophobicContact CG-CG 4.01Å; K12-I118 HydrophobicContact CB-CD1 3.89Å; K12-I118 HydrophobicContact CB-CG1 4.24Å; K12-I118 HydrophobicContact CB-CG2 4.3Å; K12-D131 WeakPolarHBondContact CB-O 3.49Å; K12-D131 WeakPolarHBondContact CD-O 3.21Å; K12-D131 IonicContact NZ-OD1 2.87Å; K12-D131 PolarHBondContact NZ-OD1 3.39Å; K12-D132 PolarHBondContact N-O 3.44Å
13G93.8Very high94.7Very high32 Ų3253.5 Ų53.533%0.3329%0.294SS..EExtended strand (participates in β ladder)trans-117.9-174.2174.900000111.9N15 C16G13-N15 PolarHBondContact O-N 2.92Å; G13-C16 CarbonylContact C-O 3.49Å; G13-C16 PolarHBondContact N-O 2.86Å
14K93.3Very high94.9Very high193 Ų19352.3 Ų52.384%0.83929%0.289SS*.THydrogen-bonded Turntrans-68.2105176.7-172.2178.2-177.4178.50110C16K14-C16 PolarHBondContact O-N 2.63Å
15N91.4Very high94.9Very high118 Ų11853.9 Ų53.963%0.63130%0.295SS*.THydrogen-bonded Turntrans57.123.4-177.8-56.6-30.9000114.2G13G13-N15 PolarHBondContact O-N 2.92Å
16C93.9Very high95Very high66 Ų6653.6 Ų53.645%0.44629%0.292SS..EExtended strand (participates in β ladder)trans-143.5160.9178.265.10000110.6G13 K14G13-C16 CarbonylContact C-O 3.49Å; G13-C16 PolarHBondContact N-O 2.86Å; K14-C16 PolarHBondContact O-N 2.63Å
17V96.4Very high95.1Very high37 Ų3756.4 Ų56.422%0.22431%0.306CS..EExtended strand (participates in β ladder)trans-132.3147.2170.3-66.50000108.2M11 A107 L109 P116 I118M11-V17 WeakPolarHBondContact O-CA 3.34Å; V17-A107 HydrophobicContact CG2-CB 4.49Å; V17-L109 HydrophobicContact CG1-CD2 4.14Å; V17-L109 HydrophobicContact CG2-CD2 4.3Å; V17-L109 HydrophobicContact CG2-CG 4.43Å; V17-P116 HydrophobicContact CG1-CB 3.45Å; V17-P116 VanDerWaalsContact CG1-CB 3.45Å; V17-I118 HydrophobicContact CG1-CG2 4.08Å
18A96.5Very high94.9Very high64 Ų6462.6 Ų62.653%0.52933%0.333SS..EExtended strand (participates in β ladder)trans-122.6140.6170.400000108.7A10 M11A10-A18 CarbonylContact C-O 3.6Å; A10-A18 WeakPolarHBondContact CA-O 3.41Å; M11-A18 PolarHBondContact N-O 2.94Å; M11-A18 PolarHBondContact O-N 3.15Å
19I97.4Very high94.6Very high37 Ų3767.5 Ų67.519%0.1937%0.374CS..EExtended strand (participates in β ladder)trans-130.4132.7171.5-172.6169.7000108.4V8 M9 A10 I39 Y47 V105 A107V8-I19 HydrophobicContact CG1-CD1 4.28Å; V8-I19 HydrophobicContact CG1-CG1 4.27Å; M9-I19 CarbonylContact O-C 3.57Å; M9-I19 WeakPolarHBondContact O-CA 3.31Å; A10-I19 HydrophobicContact CB-CB 4.28Å; A10-I19 HydrophobicContact CB-CG1 4.23Å; I19-I39 HydrophobicContact CD1-CG1 4.34Å; I19-I39 HydrophobicContact CD1-CG2 4.44Å; I19-I39 HydrophobicContact CG1-CD1 4.09Å; I19-I39 HydrophobicContact CG1-CG1 4.25Å; I19-I39 HydrophobicContact CG2-CD1 4.23Å; I19-I39 HydrophobicContact CG2-CG2 4.08Å; I19-Y47 HydrophobicContact CG2-CG 4.39Å; I19-V105 HydrophobicContact CD1-CG1 4.29Å; I19-A107 HydrophobicContact CB-CB 3.97Å; I19-A107 HydrophobicContact CD1-CB 4.17Å; I19-A107 HydrophobicContact CG2-CB 4.49Å
20A96.6Very high94.5Very high63 Ų6372.2 Ų72.252%0.52140%0.396SS..EExtended strand (participates in β ladder)trans-132147.4-178.700000109.8V8 M9V8-A20 WeakPolarHBondContact CA-O 3.4Å; M9-A20 PolarHBondContact N-O 3.2Å; M9-A20 PolarHBondContact O-N 3.05Å
21A96.4Very high94.4Very high27 Ų2777.7 Ų77.722%0.22342%0.422CS..EExtended strand (participates in β ladder)trans-147148.6176.500000110A7 V8 K38 I39A7-A21 VanDerWaalsContact O-CA 3.25Å; A7-A21 WeakPolarHBondContact O-CA 3.21Å; V8-A21 HydrophobicContact CG2-CB 3.88Å; A21-K38 HydrophobicContact CB-CB 4.01Å; A21-I39 HydrophobicContact CB-CD1 3.67Å; A21-I39 HydrophobicContact CB-CG1 3.74Å
22D95Very high94.3Very high47 Ų4776.6 Ų76.625%0.25142%0.421SS..  trans-70.6159.6171.180.3-53.1000111.1G6 A7 R24 K38G6-D22 VanDerWaalsContact CA-OD1 3.25Å; G6-D22 WeakPolarHBondContact CA-OD1 3.18Å; A7-D22 PolarHBondContact N-OD1 2.97Å; A7-D22 PolarHBondContact O-N 2.88Å; A7-D22 VanDerWaalsContact O-N 3.1Å; A7-D22 VanDerWaalsContact O-OD1 3.12Å; D22-R24 WeakPolarHBondContact OD2-CB 3.31Å; D22-R24 PolarHBondContact OD2-N 2.87Å; D22-K38 PolarHBondContact O-NZ 3.36Å; D22-K38 WeakPolarHBondContact OD1-CE 3.28Å; D22-K38 IonicContact OD1-NZ 3.03Å; D22-K38 PolarHBondContact OD1-NZ 3.15Å; D22-K38 IonicContact OD2-NZ 3.69Å; D22-K38 PolarHBondContact OD2-NZ 3.02Å
23R94.8Very high94.2Very high99 Ų9976 Ų7637%0.37442%0.423SS..  trans-105.51.5-179.7-62.1-79.2162.6152.8-10.7113.6T34 D35 F36R23-T34 WeakPolarHBondContact CB-O 3.21Å; R23-T34 CarbonylContact O-C 3.04Å; R23-T34 WeakPolarHBondContact O-CA 3.46Å; R23-D35 IonicContact NH1-OD1 3.09Å; R23-D35 PolarHBondContact O-N 2.81Å; R23-F36 PolarHBondContact O-N 2.96Å
24R94.3Very high94.3Very high87 Ų8778.9 Ų78.933%0.32843%0.434SS..  trans-72.6136.1-178.6-179.8-179.5171.7-92.7-2110.2D22 Q28 K38D22-R24 WeakPolarHBondContact OD2-CB 3.31Å; D22-R24 PolarHBondContact OD2-N 2.87Å; R24-Q28 PolarHBondContact NH2-O 2.99Å; R24-K38 PolarHBondContact O-NZ 3.41Å
25F94.3Very high94.4Very high42 Ų4275.2 Ų75.218%0.18442%0.424CS..EExtended strand (participates in β ladder)trans-126.2116.3164173.2-115.3000108N4 V32 T33 F36 A54N4-F25 HydrophobicContact CB-CD2 4.08Å; N4-F25 HydrophobicContact CB-CE2 3.98Å; N4-F25 WeakPolarHBondContact ND2-CE2 3.37Å; F25-V32 HydrophobicContact CD1-CB 3.6Å; F25-V32 HydrophobicContact CD1-CG1 3.75Å; F25-V32 HydrophobicContact CD1-CG2 4.28Å; F25-V32 HydrophobicContact CE1-CB 3.89Å; F25-V32 HydrophobicContact CE1-CG1 3.78Å; F25-V32 HydrophobicContact CE1-CG2 4.19Å; F25-V32 WeakPolarHBondContact O-CB 3.39Å; F25-V32 PolarHBondContact O-N 2.92Å; F25-T33 HydrophobicContact CB-CG2 3.7Å; F25-T33 HydrophobicContact CD1-CG2 4.06Å; F25-T33 HydrophobicContact CG-CG2 4.34Å; F25-T33 PolarHBondContact N-O 3.2Å; F25-T33 PolarHBondContact O-N 2.87Å; F25-T33 VanDerWaalsContact O-N 3.15Å; F25-F36 HydrophobicContact CB-CB 3.69Å; F25-F36 HydrophobicContact CB-CD2 4.23Å; F25-F36 HydrophobicContact CB-CG 3.95Å; F25-F36 HydrophobicContact CD2-CD2 4.49Å; F25-F36 HydrophobicContact CG-CD2 4.29Å; F25-F36 HydrophobicContact CG-CG 4.43Å; F25-A54 HydrophobicContact CD2-CB 3.93Å; F25-A54 HydrophobicContact CE2-CB 3.34Å; F25-A54 HydrophobicContact CZ-CB 4.27Å
26G93.5Very high94.5Very high0 Ų071 Ų710%040%0.4CS..EExtended strand (participates in β ladder)trans-116.3170.4179.300000112.6N4 Q30N4-G26 WeakPolarHBondContact CA-O 3.35Å; N4-G26 PolarHBondContact ND2-O 2.89Å; N4-G26 PolarHBondContact O-N 3.12Å; G26-Q30 CarbonylContact C-O 3.57Å; G26-Q30 WeakPolarHBondContact CA-O 3.19Å
27I93.4Very high94.5Very high62 Ų6271.7 Ų71.732%0.31840%0.396SS..EExtended strand (participates in β ladder)trans-125.598.3159.6-67.5171.1000104.9Y3 A29 Q30 V32Y3-I27 HydrophobicContact CE1-CG1 4.4Å; Y3-I27 HydrophobicContact CE1-CG2 4.19Å; Y3-I27 HydrophobicContact CE2-CG2 4.11Å; Y3-I27 VanDerWaalsContact OH-CG2 3.29Å; Y3-I27 WeakPolarHBondContact OH-CG2 3.34Å; I27-A29 PolarHBondContact O-N 2.89Å; I27-A29 VanDerWaalsContact O-N 3.12Å; I27-Q30 PolarHBondContact N-O 2.85Å; I27-Q30 PolarHBondContact O-N 3.41Å; I27-V32 HydrophobicContact CB-CG2 4.44Å; I27-V32 HydrophobicContact CD1-CG2 3.9Å; I27-V32 HydrophobicContact CG1-CG2 3.9Å
28Q90.4Very high94.5Very high141 Ų14170.3 Ų70.366%0.65939%0.388SS*.THydrogen-bonded Turntrans51.1-116.7-171.8-59.9178.8-23.700111.5Y3 R24 Q30Y3-Q28 HydrophobicContact CD2-CG 3.92Å; Y3-Q28 HydrophobicContact CE2-CG 4.01Å; Y3-Q28 PolarHBondContact O-N 3.18Å; R24-Q28 PolarHBondContact NH2-O 2.99Å; Q28-Q30 VanDerWaalsContact C-N 3.34Å
29A90.3Very high94.5Very high105 Ų10568.4 Ų68.487%0.86837%0.368SS*.THydrogen-bonded Turntrans-75.8-19.6-179.700000113.5I27I27-A29 PolarHBondContact O-N 2.89Å; I27-A29 VanDerWaalsContact O-N 3.12Å
30Q94.2Very high94.5Very high134 Ų13468.8 Ų68.863%0.62637%0.369SS*.EExtended strand (participates in β ladder)trans-84.1130.4-178.5-172.8175.9-15.900110.9G26 I27 Q28G26-Q30 CarbonylContact C-O 3.57Å; G26-Q30 WeakPolarHBondContact CA-O 3.19Å; I27-Q30 PolarHBondContact N-O 2.85Å; I27-Q30 PolarHBondContact O-N 3.41Å; Q28-Q30 VanDerWaalsContact C-N 3.34Å
31M93.1Very high94.4Very high115 Ų11570.2 Ų70.257%0.56737%0.373SS*.EExtended strand (participates in β ladder)trans-85.6127169.2-176.6-177.7-79.100109.2T34M31-T34 HydrophobicContact CE-CG2 4.06Å; M31-T34 HydrophobicContact CG-CG2 4.36Å; M31-T34 HydrophobicContact SD-CG2 3.43Å; M31-T34 WeakPolarHBondContact SD-CG2 3.44Å
32V95.1Very high94.3Very high74 Ų7469.3 Ų69.345%0.44836%0.364SS..EExtended strand (participates in β ladder)trans-100.5-47.8178.8-1800000110.5F25 I27F25-V32 HydrophobicContact CD1-CB 3.6Å; F25-V32 HydrophobicContact CD1-CG1 3.75Å; F25-V32 HydrophobicContact CD1-CG2 4.28Å; F25-V32 HydrophobicContact CE1-CB 3.89Å; F25-V32 HydrophobicContact CE1-CG1 3.78Å; F25-V32 HydrophobicContact CE1-CG2 4.19Å; F25-V32 WeakPolarHBondContact O-CB 3.39Å; F25-V32 PolarHBondContact O-N 2.92Å; I27-V32 HydrophobicContact CB-CG2 4.44Å; I27-V32 HydrophobicContact CD1-CG2 3.9Å; I27-V32 HydrophobicContact CG1-CG2 3.9Å
33T95.1Very high94.1Very high53 Ų5368.3 Ų68.333%0.32537%0.365SS..EExtended strand (participates in β ladder)trans-150.4159.6172.8-174.60000111.6F25 D35 F36F25-T33 HydrophobicContact CB-CG2 3.7Å; F25-T33 HydrophobicContact CD1-CG2 4.06Å; F25-T33 HydrophobicContact CG-CG2 4.34Å; F25-T33 PolarHBondContact N-O 3.2Å; F25-T33 PolarHBondContact O-N 2.87Å; F25-T33 VanDerWaalsContact O-N 3.15Å; T33-D35 PolarHBondContact OG1-N 3.47Å; T33-F36 HydrophobicContact CG2-CB 4.24Å
34T94.6Very high93.8Very high92 Ų9269.2 Ų69.256%0.56438%0.377SS*.SBendtrans-11012.2173.258.60000112.3R23 M31R23-T34 WeakPolarHBondContact CB-O 3.21Å; R23-T34 CarbonylContact O-C 3.04Å; R23-T34 WeakPolarHBondContact O-CA 3.46Å; M31-T34 HydrophobicContact CE-CG2 4.06Å; M31-T34 HydrophobicContact CG-CG2 4.36Å; M31-T34 HydrophobicContact SD-CG2 3.43Å; M31-T34 WeakPolarHBondContact SD-CG2 3.44Å
35D95.4Very high93.8Very high116 Ų11671.4 Ų71.462%0.6239%0.385SS*.  trans-13060.8177.2-168.321.1000112.1R23 T33R23-D35 IonicContact NH1-OD1 3.09Å; R23-D35 PolarHBondContact O-N 2.81Å; T33-D35 PolarHBondContact OG1-N 3.47Å
36F94.3Very high93.9Very high30 Ų3069.7 Ų69.713%0.13238%0.378CS..  trans-106.7113.3174.8-170.8-95.7000111.1R23 F25 T33 K38 A54 V57 Q58R23-F36 PolarHBondContact O-N 2.96Å; F25-F36 HydrophobicContact CB-CB 3.69Å; F25-F36 HydrophobicContact CB-CD2 4.23Å; F25-F36 HydrophobicContact CB-CG 3.95Å; F25-F36 HydrophobicContact CD2-CD2 4.49Å; F25-F36 HydrophobicContact CG-CD2 4.29Å; F25-F36 HydrophobicContact CG-CG 4.43Å; T33-F36 HydrophobicContact CG2-CB 4.24Å; F36-K38 HydrophobicContact CD1-CD 4.49Å; F36-K38 HydrophobicContact CD1-CG 3.75Å; F36-K38 HydrophobicContact CE1-CG 4.06Å; F36-K38 PolarHBondContact O-N 3.33Å; F36-A54 HydrophobicContact CZ-CB 4.07Å; F36-V57 HydrophobicContact CE1-CG1 4.4Å; F36-Q58 HydrophobicContact CZ-CG 4.49Å
37Q94.2Very high94Very high80 Ų8074.2 Ų74.237%0.37440%0.396SS..  trans-73122.8178.4-176.973.34100111.1I39 F40Q37-I39 WeakPolarHBondContact CG-O 3.47Å; Q37-I39 PolarHBondContact NE2-O 3.36Å; Q37-F40 WeakPolarHBondContact O-CZ 3.11Å
38K94.9Very high94.2Very high9 Ų971.3 Ų71.34%0.03938%0.38CS..  trans-111.4-11.2176.6-58.5-171.1-175.787.70114.4V8 A21 D22 R24 F36 F40 G49 L50V8-K38 HydrophobicContact CG2-CB 4.37Å; A21-K38 HydrophobicContact CB-CB 4.01Å; D22-K38 PolarHBondContact O-NZ 3.36Å; D22-K38 WeakPolarHBondContact OD1-CE 3.28Å; D22-K38 IonicContact OD1-NZ 3.03Å; D22-K38 PolarHBondContact OD1-NZ 3.15Å; D22-K38 IonicContact OD2-NZ 3.69Å; D22-K38 PolarHBondContact OD2-NZ 3.02Å; R24-K38 PolarHBondContact O-NZ 3.41Å; F36-K38 HydrophobicContact CD1-CD 4.49Å; F36-K38 HydrophobicContact CD1-CG 3.75Å; F36-K38 HydrophobicContact CE1-CG 4.06Å; F36-K38 PolarHBondContact O-N 3.33Å; K38-F40 WeakPolarHBondContact O-CD2 3.5Å; K38-F40 VanDerWaalsContact O-CE2 3.3Å; K38-F40 WeakPolarHBondContact O-CE2 3.43Å; K38-G49 CarbonylContact O-C 3.58Å; K38-G49 VanDerWaalsContact O-CA 3.31Å; K38-G49 WeakPolarHBondContact O-CA 3.45Å; K38-L50 PolarHBondContact O-N 3.22Å
39I97.2Very high94.5Very high23 Ų2364.6 Ų64.612%0.11835%0.349CS..EExtended strand (participates in β ladder)trans-103129.4179.3-61.5163.6000109I19 A21 Q37 Y47 I48I19-I39 HydrophobicContact CD1-CG1 4.34Å; I19-I39 HydrophobicContact CD1-CG2 4.44Å; I19-I39 HydrophobicContact CG1-CD1 4.09Å; I19-I39 HydrophobicContact CG1-CG1 4.25Å; I19-I39 HydrophobicContact CG2-CD1 4.23Å; I19-I39 HydrophobicContact CG2-CG2 4.08Å; A21-I39 HydrophobicContact CB-CD1 3.67Å; A21-I39 HydrophobicContact CB-CG1 3.74Å; Q37-I39 WeakPolarHBondContact CG-O 3.47Å; Q37-I39 PolarHBondContact NE2-O 3.36Å; I39-Y47 HydrophobicContact CG2-CD1 4.18Å; I39-Y47 HydrophobicContact CG2-CG 4.49Å; I39-I48 CarbonylContact C-O 3.07Å; I39-I48 WeakPolarHBondContact CA-O 3.04Å
40F97Very high94.8Very high46 Ų4659.6 Ų59.620%0.20231%0.308CS..EExtended strand (participates in β ladder)trans-123.2130.4-177.3-55.6-81.9000109.6Q37 K38 M42 Y47 I48 L50 V57 A61Q37-F40 WeakPolarHBondContact O-CZ 3.11Å; K38-F40 WeakPolarHBondContact O-CD2 3.5Å; K38-F40 VanDerWaalsContact O-CE2 3.3Å; K38-F40 WeakPolarHBondContact O-CE2 3.43Å; F40-M42 HydrophobicContact CB-CE 3.87Å; F40-Y47 WeakPolarHBondContact O-CA 3.34Å; F40-I48 HydrophobicContact CB-CG2 4.11Å; F40-I48 PolarHBondContact N-O 2.76Å; F40-I48 PolarHBondContact O-N 3.01Å; F40-L50 HydrophobicContact CD2-CD1 3.99Å; F40-L50 HydrophobicContact CD2-CG 4.27Å; F40-L50 HydrophobicContact CE2-CB 4.32Å; F40-L50 HydrophobicContact CE2-CD1 3.92Å; F40-L50 HydrophobicContact CE2-CG 4.29Å; F40-V57 HydrophobicContact CE2-CG1 3.95Å; F40-V57 HydrophobicContact CZ-CG1 4.11Å; F40-A61 HydrophobicContact CD1-CB 4.2Å; F40-A61 HydrophobicContact CD2-CB 4.03Å; F40-A61 HydrophobicContact CE1-CB 4.16Å; F40-A61 HydrophobicContact CE2-CB 4Å; F40-A61 HydrophobicContact CG-CB 4.14Å; F40-A61 HydrophobicContact CZ-CB 4.06Å
41P95.7Very high94.8Very high93 Ų9353.2 Ų53.260%0.60428%0.278SS*.EExtended strand (participates in β ladder)trans-71135.3173.329.6-33000110Y47P41-Y47 HydrophobicContact CB-CD1 4.1Å; P41-Y47 HydrophobicContact CB-CE1 3.97Å
42M93.9Very high94.7Very high8 Ų848 Ų484%0.03925%0.254CS..EExtended strand (participates in β ladder)trans-1184.5177.2-66.2-61.2161.700111.4F40 L46 I48 L64 L68 L84F40-M42 HydrophobicContact CB-CE 3.87Å; M42-L46 HydrophobicContact CB-CD2 4.32Å; M42-L46 HydrophobicContact CB-CG 4.11Å; M42-L46 PolarHBondContact N-O 2.83Å; M42-I48 HydrophobicContact CE-CG2 3.3Å; M42-I48 HydrophobicContact CG-CB 4.2Å; M42-I48 HydrophobicContact CG-CG2 3.64Å; M42-I48 HydrophobicContact SD-CG2 4.25Å; M42-L64 HydrophobicContact CE-CB 4.13Å; M42-L68 HydrophobicContact CB-CD1 3.6Å; M42-L68 HydrophobicContact CG-CD1 4.24Å; M42-L68 WeakPolarHBondContact O-CD1 3.41Å; M42-L68 HydrophobicContact SD-CD1 3.87Å; M42-L84 HydrophobicContact CB-CD2 3.94Å; M42-L84 HydrophobicContact CG-CD2 4.05Å
43G90.8Very high94.7Very high26 Ų2646.7 Ų46.727%0.26825%0.245SC..EExtended strand (participates in β ladder)trans165.7-175.7178.200000109.6R45 L46G43-R45 PolarHBondContact O-N 2.91Å; G43-L46 PolarHBondContact N-O 2.95Å
44D88.9Confident94.6Very high118 Ų11844.6 Ų44.663%0.63123%0.233SC*.THydrogen-bonded Turntrans-61.1-32.3-174.5-69.3-18.5000113.7Q78D44-Q78 PolarHBondContact OD2-NE2 2.83Å
45R92.9Very high94.6Very high132 Ų13244.1 Ų44.150%0.49823%0.229SC..THydrogen-bonded Turntrans-137.330.5-176.1-56.1-176.9-172.7-167.84.2112G43 G108 L109G43-R45 PolarHBondContact O-N 2.91Å; R45-G108 CarbonylContact O-C 3.57Å; R45-G108 WeakPolarHBondContact O-CA 3.37Å; R45-L109 HydrophobicContact CB-CB 4.23Å; R45-L109 PolarHBondContact O-N 3.17Å
46L96.2Very high94.6Very high6 Ų639.8 Ų39.83%0.03121%0.206CC..EExtended strand (participates in β ladder)trans-138.1125.8-176.2-176.759.5000109.8M42 G43 I79 P81 L84 I106M42-L46 HydrophobicContact CB-CD2 4.32Å; M42-L46 HydrophobicContact CB-CG 4.11Å; M42-L46 PolarHBondContact N-O 2.83Å; G43-L46 PolarHBondContact N-O 2.95Å; L46-I79 HydrophobicContact CD2-CG2 3.64Å; L46-P81 HydrophobicContact CD1-CB 3.87Å; L46-P81 HydrophobicContact CD1-CG 4.02Å; L46-L84 HydrophobicContact CD1-CD2 4.02Å; L46-L84 HydrophobicContact CD2-CB 4.06Å; L46-L84 HydrophobicContact CD2-CD2 3.58Å; L46-L84 HydrophobicContact CD2-CG 4.39Å; L46-L84 HydrophobicContact CG-CD2 3.77Å; L46-I106 HydrophobicContact CD1-CG2 3.89Å
47Y97.3Very high94.7Very high96 Ų9638.5 Ų38.538%0.37620%0.201SC..EExtended strand (participates in β ladder)trans-130.9151-177.4-60.3-86.5000110I19 I39 F40 P41 A107I19-Y47 HydrophobicContact CG2-CG 4.39Å; I39-Y47 HydrophobicContact CG2-CD1 4.18Å; I39-Y47 HydrophobicContact CG2-CG 4.49Å; F40-Y47 WeakPolarHBondContact O-CA 3.34Å; P41-Y47 HydrophobicContact CB-CD1 4.1Å; P41-Y47 HydrophobicContact CB-CE1 3.97Å; Y47-A107 PolarHBondContact N-O 3.3Å; Y47-A107 PolarHBondContact O-N 2.99Å
48I97.3Very high94.7Very high0 Ų039.7 Ų39.70%021%0.206CC..EExtended strand (participates in β ladder)trans-127.4126.7169-165.5172.4000109.2I39 F40 M42 L50 L64 V88 P104 V105 I106I39-I48 CarbonylContact C-O 3.07Å; I39-I48 WeakPolarHBondContact CA-O 3.04Å; F40-I48 HydrophobicContact CB-CG2 4.11Å; F40-I48 PolarHBondContact N-O 2.76Å; F40-I48 PolarHBondContact O-N 3.01Å; M42-I48 HydrophobicContact CE-CG2 3.3Å; M42-I48 HydrophobicContact CG-CB 4.2Å; M42-I48 HydrophobicContact CG-CG2 3.64Å; M42-I48 HydrophobicContact SD-CG2 4.25Å; I48-L50 HydrophobicContact CD1-CD2 4.02Å; I48-L50 HydrophobicContact CG1-CD2 4.11Å; I48-L64 HydrophobicContact CD1-CD1 3.62Å; I48-V88 HydrophobicContact CD1-CG1 4.48Å; I48-V88 HydrophobicContact CD1-CG2 3.8Å; I48-P104 HydrophobicContact CD1-CB 3.99Å; I48-P104 HydrophobicContact CG1-CB 4.24Å; I48-V105 CarbonylContact C-O 3.59Å; I48-V105 VanDerWaalsContact CA-O 3.31Å; I48-V105 WeakPolarHBondContact CA-O 3.29Å; I48-I106 HydrophobicContact CD1-CG1 4.04Å; I48-I106 HydrophobicContact CG1-CG1 3.96Å
49G97.1Very high94.7Very high0 Ų041.6 Ų41.60%022%0.219CC..EExtended strand (participates in β ladder)trans-95.9137.116700000109.8K38 P104 V105K38-G49 CarbonylContact O-C 3.58Å; K38-G49 VanDerWaalsContact O-CA 3.31Å; K38-G49 WeakPolarHBondContact O-CA 3.45Å; G49-P104 CarbonylContact O-C 3.52Å; G49-P104 WeakPolarHBondContact O-CA 3.35Å; G49-V105 PolarHBondContact N-O 2.99Å; G49-V105 PolarHBondContact O-N 2.97Å
50L95.9Very high94.7Very high0 Ų040.5 Ų40.50%021%0.214CC..EExtended strand (participates in β ladder)trans-121.3114.3178.9-61.9174.5000108.7K38 F40 I48 V57 V60 A61 P104K38-L50 PolarHBondContact O-N 3.22Å; F40-L50 HydrophobicContact CD2-CD1 3.99Å; F40-L50 HydrophobicContact CD2-CG 4.27Å; F40-L50 HydrophobicContact CE2-CB 4.32Å; F40-L50 HydrophobicContact CE2-CD1 3.92Å; F40-L50 HydrophobicContact CE2-CG 4.29Å; I48-L50 HydrophobicContact CD1-CD2 4.02Å; I48-L50 HydrophobicContact CG1-CD2 4.11Å; L50-V57 HydrophobicContact CB-CB 4.28Å; L50-V57 HydrophobicContact CB-CG1 3.8Å; L50-V57 HydrophobicContact CB-CG2 3.98Å; L50-V57 HydrophobicContact CD1-CG1 4.31Å; L50-V57 WeakPolarHBondContact CD1-O 3.48Å; L50-V60 HydrophobicContact CD1-CB 4.34Å; L50-V60 HydrophobicContact CD1-CG1 4.18Å; L50-V60 HydrophobicContact CD2-CG1 4.25Å; L50-A61 HydrophobicContact CD1-CB 3.83Å; L50-P104 HydrophobicContact CD2-CB 3.7Å; L50-P104 HydrophobicContact CD2-CG 3.86Å
51A93Very high94.6Very high0 Ų038.8 Ų38.80%021%0.208CC..EExtended strand (participates in β ladder)trans-102.1156.8170.400000110.3V8 T102 E103 S136V8-A51 HydrophobicContact CG2-CB 3.99Å; A51-T102 CarbonylContact O-C 3.55Å; A51-T102 WeakPolarHBondContact O-CA 3.3Å; A51-E103 PolarHBondContact N-O 2.94Å; A51-E103 PolarHBondContact O-N 3.36Å; A51-S136 WeakPolarHBondContact CB-OG 3.5Å
52G92.8Very high94.6Very high7 Ų741.3 Ų41.37%0.07221%0.211CC..EExtended strand (participates in β ladder)trans124.9-143.2175.400000113.4A54 Y101G52-A54 PolarHBondContact O-N 2.98Å; G52-Y101 CarbonylContact C-O 3.48Å; G52-Y101 WeakPolarHBondContact CA-O 3.31Å
53L94.7Very high94.8Very high46 Ų4646.2 Ų46.224%0.24123%0.229CC..  trans-70.1124.7179.9-174.970.4000110.1Y3 N4 T55 D56 V57 Y101Y3-L53 HydrophobicContact CD1-CD1 4.24Å; N4-L53 WeakPolarHBondContact OD1-CD1 3.42Å; L53-T55 VanDerWaalsContact C-N 3.3Å; L53-T55 VanDerWaalsContact CD2-OG1 3.23Å; L53-T55 WeakPolarHBondContact CD2-OG1 3.46Å; L53-T55 WeakPolarHBondContact CG-OG1 3.28Å; L53-T55 PolarHBondContact O-N 3.28Å; L53-D56 HydrophobicContact CB-CB 4.35Å; L53-D56 PolarHBondContact O-N 3.47Å; L53-V57 WeakPolarHBondContact O-CG2 3.41Å; L53-V57 PolarHBondContact O-N 2.94Å; L53-Y101 HydrophobicContact CD2-CD2 4.4Å; L53-Y101 PolarHBondContact N-O 3.45Å
54A93.4Very high95Very high9 Ų945 Ų457%0.07422%0.217CC..Hα-helixtrans-63.1-33.3-171.100000114N4 F25 F36 G52 D56 V57 Q58N4-A54 HydrophobicContact CB-CB 4.35Å; N4-A54 PolarHBondContact OD1-N 2.88Å; F25-A54 HydrophobicContact CD2-CB 3.93Å; F25-A54 HydrophobicContact CE2-CB 3.34Å; F25-A54 HydrophobicContact CZ-CB 4.27Å; F36-A54 HydrophobicContact CZ-CB 4.07Å; G52-A54 PolarHBondContact O-N 2.98Å; A54-D56 VanDerWaalsContact C-N 3.34Å; A54-V57 PolarHBondContact O-N 2.81Å; A54-Q58 WeakPolarHBondContact O-CG 3.36Å; A54-Q58 PolarHBondContact O-N 3.14Å
55T94.7Very high95.3Very high81 Ų8145.6 Ų45.650%0.49721%0.214SC..Hα-helixtrans-63.4-41.6175.353.50000111.5L53 T59L53-T55 VanDerWaalsContact C-N 3.3Å; L53-T55 VanDerWaalsContact CD2-OG1 3.23Å; L53-T55 WeakPolarHBondContact CD2-OG1 3.46Å; L53-T55 WeakPolarHBondContact CG-OG1 3.28Å; L53-T55 PolarHBondContact O-N 3.28Å; T55-T59 WeakPolarHBondContact O-CB 3.27Å; T55-T59 PolarHBondContact O-N 3.34Å; T55-T59 PolarHBondContact O-OG1 3.43Å
56D95.2Very high95.5Very high26 Ų2645.7 Ų45.714%0.13922%0.218CC..Hα-helixtrans-73.7-37.8178.3-66.8-12.3000110.9L53 A54 Q58 T59 V60 Y100 Y101 T102L53-D56 HydrophobicContact CB-CB 4.35Å; L53-D56 PolarHBondContact O-N 3.47Å; A54-D56 VanDerWaalsContact C-N 3.34Å; D56-Q58 VanDerWaalsContact C-N 3.32Å; D56-Q58 PolarHBondContact O-N 3.36Å; D56-T59 PolarHBondContact O-N 3.14Å; D56-V60 VanDerWaalsContact O-CB 3.26Å; D56-V60 WeakPolarHBondContact O-CB 3.25Å; D56-V60 VanDerWaalsContact O-CG2 3.26Å; D56-V60 WeakPolarHBondContact O-CG2 3.39Å; D56-V60 PolarHBondContact O-N 3.39Å; D56-Y100 HydrophobicContact CB-CD1 4.23Å; D56-Y101 PolarHBondContact OD2-N 3.08Å; D56-T102 HydrophobicContact CB-CG2 3.54Å
57V94.8Very high95.4Very high3 Ų348.8 Ų48.82%0.01823%0.229CC..Hα-helixtrans-53.2-50.6172.3166.50000110.6F36 F40 L50 L53 A54 A61 T102F36-V57 HydrophobicContact CE1-CG1 4.4Å; F40-V57 HydrophobicContact CE2-CG1 3.95Å; F40-V57 HydrophobicContact CZ-CG1 4.11Å; L50-V57 HydrophobicContact CB-CB 4.28Å; L50-V57 HydrophobicContact CB-CG1 3.8Å; L50-V57 HydrophobicContact CB-CG2 3.98Å; L50-V57 HydrophobicContact CD1-CG1 4.31Å; L50-V57 WeakPolarHBondContact CD1-O 3.48Å; L53-V57 WeakPolarHBondContact O-CG2 3.41Å; L53-V57 PolarHBondContact O-N 2.94Å; A54-V57 PolarHBondContact O-N 2.81Å; V57-A61 WeakPolarHBondContact O-CB 3.4Å; V57-A61 PolarHBondContact O-N 3.4Å; V57-T102 HydrophobicContact CG2-CG2 3.99Å
58Q94.9Very high95.3Very high104 Ų10444.6 Ų44.649%0.48621%0.214SC..Hα-helixtrans-65.9-42.9179.2-70.3179.5-14.200112.1F36 A54 D56 A61 Q62F36-Q58 HydrophobicContact CZ-CG 4.49Å; A54-Q58 WeakPolarHBondContact O-CG 3.36Å; A54-Q58 PolarHBondContact O-N 3.14Å; D56-Q58 VanDerWaalsContact C-N 3.32Å; D56-Q58 PolarHBondContact O-N 3.36Å; Q58-A61 PolarHBondContact O-N 3.1Å; Q58-Q62 WeakPolarHBondContact O-CG 3.31Å; Q58-Q62 PolarHBondContact O-N 2.9Å
59T95.9Very high95.2Very high50 Ų5048.1 Ų48.131%0.30723%0.232SC..Hα-helixtrans-65-47-178.9-59.90000111.7T55 D56 Q62 R63 Y100T55-T59 WeakPolarHBondContact O-CB 3.27Å; T55-T59 PolarHBondContact O-N 3.34Å; T55-T59 PolarHBondContact O-OG1 3.43Å; D56-T59 PolarHBondContact O-N 3.14Å; T59-Q62 PolarHBondContact O-N 3.31Å; T59-R63 WeakPolarHBondContact O-CB 3.33Å; T59-R63 WeakPolarHBondContact O-CG 3.32Å; T59-R63 PolarHBondContact O-N 3.02Å; T59-Y100 HydrophobicContact CG2-CE1 4.16Å
60V95.8Very high95.1Very high0 Ų051.2 Ų51.20%025%0.248CC..Hα-helixtrans-66-43.5178.9171.90000110.1L50 D56 Q62 R63 L64 L91 Y100 T102L50-V60 HydrophobicContact CD1-CB 4.34Å; L50-V60 HydrophobicContact CD1-CG1 4.18Å; L50-V60 HydrophobicContact CD2-CG1 4.25Å; D56-V60 VanDerWaalsContact O-CB 3.26Å; D56-V60 WeakPolarHBondContact O-CB 3.25Å; D56-V60 VanDerWaalsContact O-CG2 3.26Å; D56-V60 WeakPolarHBondContact O-CG2 3.39Å; D56-V60 PolarHBondContact O-N 3.39Å; V60-Q62 VanDerWaalsContact C-N 3.34Å; V60-Q62 PolarHBondContact O-N 3.32Å; V60-R63 PolarHBondContact O-N 2.85Å; V60-L64 HydrophobicContact CG1-CD1 3.67Å; V60-L64 HydrophobicContact CG1-CG 4.09Å; V60-L64 WeakPolarHBondContact O-CB 3.4Å; V60-L64 VanDerWaalsContact O-CG 3.29Å; V60-L64 WeakPolarHBondContact O-CG 3.47Å; V60-L64 PolarHBondContact O-N 3.09Å; V60-L91 HydrophobicContact CG1-CD2 4.15Å; V60-Y100 HydrophobicContact CG2-CD1 3.77Å; V60-Y100 HydrophobicContact CG2-CD2 3.88Å; V60-Y100 HydrophobicContact CG2-CE1 4.3Å; V60-Y100 HydrophobicContact CG2-CE2 4.39Å; V60-Y100 HydrophobicContact CG2-CG 3.54Å; V60-T102 HydrophobicContact CG2-CG2 4.43Å
61A96.1Very high95.1Very high10 Ų1052.9 Ų52.98%0.08326%0.255CS..Hα-helixtrans-56.9-46.4176.100000112.2F40 L50 V57 Q58 L64 K65F40-A61 HydrophobicContact CD1-CB 4.2Å; F40-A61 HydrophobicContact CD2-CB 4.03Å; F40-A61 HydrophobicContact CE1-CB 4.16Å; F40-A61 HydrophobicContact CE2-CB 4Å; F40-A61 HydrophobicContact CG-CB 4.14Å; F40-A61 HydrophobicContact CZ-CB 4.06Å; L50-A61 HydrophobicContact CD1-CB 3.83Å; V57-A61 WeakPolarHBondContact O-CB 3.4Å; V57-A61 PolarHBondContact O-N 3.4Å; Q58-A61 PolarHBondContact O-N 3.1Å; A61-L64 PolarHBondContact O-N 2.88Å; A61-K65 WeakPolarHBondContact O-CB 3.04Å; A61-K65 PolarHBondContact O-N 2.94Å
62Q96.1Very high95.1Very high145 Ų14555.7 Ų55.768%0.67827%0.268SS*.Hα-helixtrans-65.1-43.7178.1-72.4179.2-8.200112.2Q58 T59 V60 K65 F66Q58-Q62 WeakPolarHBondContact O-CG 3.31Å; Q58-Q62 PolarHBondContact O-N 2.9Å; T59-Q62 PolarHBondContact O-N 3.31Å; V60-Q62 VanDerWaalsContact C-N 3.34Å; V60-Q62 PolarHBondContact O-N 3.32Å; Q62-K65 PolarHBondContact O-N 3.33Å; Q62-F66 PolarHBondContact O-N 2.82Å
63R96.1Very high95.2Very high111 Ų11162.3 Ų62.342%0.41930%0.301SS..Hα-helixtrans-63.5-42.2177.5-75.7-179.5175.4-133.52.2112.4T59 V60 F66 R67 L91 Y100T59-R63 WeakPolarHBondContact O-CB 3.33Å; T59-R63 WeakPolarHBondContact O-CG 3.32Å; T59-R63 PolarHBondContact O-N 3.02Å; V60-R63 PolarHBondContact O-N 2.85Å; R63-F66 PolarHBondContact O-N 3.09Å; R63-R67 WeakPolarHBondContact O-CG 3.49Å; R63-R67 PolarHBondContact O-N 2.8Å; R63-L91 HydrophobicContact CB-CD2 4.4Å; R63-Y100 PolarHBondContact NE-OH 3.09Å; R63-Y100 PolarHBondContact NH1-OH 3.31Å
64L96.1Very high95.2Very high0 Ų068.1 Ų68.10%032%0.324CS..Hα-helixtrans-65-45.2176.8-73.2174.4000111.1M42 I48 V60 A61 F66 R67 L68 V88 L91M42-L64 HydrophobicContact CE-CB 4.13Å; I48-L64 HydrophobicContact CD1-CD1 3.62Å; V60-L64 HydrophobicContact CG1-CD1 3.67Å; V60-L64 HydrophobicContact CG1-CG 4.09Å; V60-L64 WeakPolarHBondContact O-CB 3.4Å; V60-L64 VanDerWaalsContact O-CG 3.29Å; V60-L64 WeakPolarHBondContact O-CG 3.47Å; V60-L64 PolarHBondContact O-N 3.09Å; A61-L64 PolarHBondContact O-N 2.88Å; L64-F66 VanDerWaalsContact C-N 3.27Å; L64-F66 PolarHBondContact O-N 2.75Å; L64-R67 PolarHBondContact O-N 2.79Å; L64-L68 VanDerWaalsContact O-CB 3.25Å; L64-L68 WeakPolarHBondContact O-CB 3.31Å; L64-L68 PolarHBondContact O-N 2.78Å; L64-V88 HydrophobicContact CD1-CG2 3.99Å; L64-V88 HydrophobicContact CD2-CG2 3.69Å; L64-L91 HydrophobicContact CD2-CD2 3.57Å; L64-L91 HydrophobicContact CG-CD2 3.79Å
65K95.6Very high95.2Very high132 Ų13272.4 Ų72.457%0.57434%0.343SS*.Hα-helixtrans-57.3-41.7175.4-171174.1-175176.70112A61 Q62 L68 N69A61-K65 WeakPolarHBondContact O-CB 3.04Å; A61-K65 PolarHBondContact O-N 2.94Å; Q62-K65 PolarHBondContact O-N 3.33Å; K65-L68 PolarHBondContact O-N 2.79Å; K65-N69 WeakPolarHBondContact O-CB 2.89Å; K65-N69 PolarHBondContact O-N 3.49Å; K65-N69 PolarHBondContact O-OD1 3.14Å
66F96.1Very high95.1Very high133 Ų13372 Ų7258%0.58335%0.354SS*.Hα-helixtrans-63.6-49175.3176.3-102000112.6Q62 R63 L64 L68 N69 L70Q62-F66 PolarHBondContact O-N 2.82Å; R63-F66 PolarHBondContact O-N 3.09Å; L64-F66 VanDerWaalsContact C-N 3.27Å; L64-F66 PolarHBondContact O-N 2.75Å; F66-L68 VanDerWaalsContact C-N 3.26Å; F66-L68 PolarHBondContact O-N 3.2Å; F66-N69 PolarHBondContact O-N 2.91Å; F66-L70 HydrophobicContact CD1-CD1 3.92Å; F66-L70 HydrophobicContact CE1-CD1 3.31Å; F66-L70 HydrophobicContact CE1-CG 4.31Å; F66-L70 HydrophobicContact CE2-CD1 4.12Å; F66-L70 HydrophobicContact CE2-CG 4.38Å; F66-L70 HydrophobicContact CZ-CD1 3.44Å; F66-L70 VanDerWaalsContact CZ-CD1 3.44Å; F66-L70 HydrophobicContact CZ-CG 4.16Å; F66-L70 WeakPolarHBondContact O-CG 2.93Å; F66-L70 PolarHBondContact O-N 2.87Å
67R95.5Very high94.9Very high72 Ų7276 Ų7627%0.27237%0.368SS..Hα-helixtrans-61.4-36.8177.4-72-173.3179.4-158.2-1111.8R63 L64 Y71 M87 E94R63-R67 WeakPolarHBondContact O-CG 3.49Å; R63-R67 PolarHBondContact O-N 2.8Å; L64-R67 PolarHBondContact O-N 2.79Å; R67-Y71 WeakPolarHBondContact O-CB 3.31Å; R67-Y71 PolarHBondContact O-N 3.16Å; R67-M87 HydrophobicContact CB-CE 4.36Å; R67-M87 HydrophobicContact CB-CG 4.49Å; R67-M87 HydrophobicContact CB-SD 3.6Å; R67-M87 VanDerWaalsContact CB-SD 3.6Å; R67-E94 IonicContact CZ-OE1 2.99Å; R67-E94 IonicContact CZ-OE2 2.72Å; R67-E94 IonicContact NH1-OE1 3.84Å; R67-E94 PolarHBondContact NH1-OE1 3.37Å; R67-E94 IonicContact NH1-OE2 3.41Å; R67-E94 VanDerWaalsContact NH2-CD 3.33Å; R67-E94 IonicContact NH2-OE1 3.94Å; R67-E94 PolarHBondContact NH2-OE1 3.01Å; R67-E94 IonicContact NH2-OE2 2.81Å; R67-E94 PolarHBondContact NH2-OE2 3.45Å
68L95.2Very high94.6Very high8 Ų879.5 Ų79.54%0.04238%0.384CS..Hα-helixtrans-66.6-50.1178.1-168.4139.8000112.1M42 L64 K65 F66 L70 Y71 E72 I79 L84M42-L68 HydrophobicContact CB-CD1 3.6Å; M42-L68 HydrophobicContact CG-CD1 4.24Å; M42-L68 WeakPolarHBondContact O-CD1 3.41Å; M42-L68 HydrophobicContact SD-CD1 3.87Å; L64-L68 VanDerWaalsContact O-CB 3.25Å; L64-L68 WeakPolarHBondContact O-CB 3.31Å; L64-L68 PolarHBondContact O-N 2.78Å; K65-L68 PolarHBondContact O-N 2.79Å; F66-L68 VanDerWaalsContact C-N 3.26Å; F66-L68 PolarHBondContact O-N 3.2Å; L68-L70 VanDerWaalsContact C-N 3.27Å; L68-L70 PolarHBondContact O-N 3.01Å; L68-Y71 WeakPolarHBondContact O-CA 3.4Å; L68-Y71 WeakPolarHBondContact O-CB 3.31Å; L68-Y71 PolarHBondContact O-N 2.83Å; L68-E72 HydrophobicContact CD2-CG 4.26Å; L68-E72 PolarHBondContact O-N 3.21Å; L68-I79 HydrophobicContact CD1-CG2 3.84Å; L68-I79 HydrophobicContact CG-CG2 4.33Å; L68-L84 HydrophobicContact CD1-CD1 4.29Å
69N94.7Very high94.6Very high74 Ų7474.8 Ų74.840%0.39636%0.362SS..Hα-helixtrans-58.8-41.6176.7-69.6-6.6000111.4K65 F66 Y71 E72 L73K65-N69 WeakPolarHBondContact O-CB 2.89Å; K65-N69 PolarHBondContact O-N 3.49Å; K65-N69 PolarHBondContact O-OD1 3.14Å; F66-N69 PolarHBondContact O-N 2.91Å; N69-Y71 VanDerWaalsContact C-N 3.33Å; N69-Y71 PolarHBondContact O-N 3.1Å; N69-E72 PolarHBondContact O-N 3.41Å; N69-L73 WeakPolarHBondContact O-CB 3.42Å; N69-L73 VanDerWaalsContact O-CG 3.25Å; N69-L73 WeakPolarHBondContact O-CG 3.38Å; N69-L73 PolarHBondContact O-N 3Å
70L95.6Very high94.5Very high64 Ų6475.6 Ų75.634%0.33536%0.361SS..Hα-helixtrans-63.6-38.3174.7-77.7177.8000112.7F66 L68 K74F66-L70 HydrophobicContact CD1-CD1 3.92Å; F66-L70 HydrophobicContact CE1-CD1 3.31Å; F66-L70 HydrophobicContact CE1-CG 4.31Å; F66-L70 HydrophobicContact CE2-CD1 4.12Å; F66-L70 HydrophobicContact CE2-CG 4.38Å; F66-L70 HydrophobicContact CZ-CD1 3.44Å; F66-L70 VanDerWaalsContact CZ-CD1 3.44Å; F66-L70 HydrophobicContact CZ-CG 4.16Å; F66-L70 WeakPolarHBondContact O-CG 2.93Å; F66-L70 PolarHBondContact O-N 2.87Å; L68-L70 VanDerWaalsContact C-N 3.27Å; L68-L70 PolarHBondContact O-N 3.01Å; L70-K74 WeakPolarHBondContact O-CB 3.47Å; L70-K74 VanDerWaalsContact O-CG 3.23Å; L70-K74 WeakPolarHBondContact O-CG 3.42Å; L70-K74 PolarHBondContact O-N 3.22Å; L70-K74 VanDerWaalsContact O-N 3.09Å
71Y95Very high94.5Very high35 Ų3575.8 Ų75.814%0.13736%0.362CS..Hα-helixtrans-63.2-48.8176.4178-89.2000110.9R67 L68 N69 L73 K74 E75 R77 I79 T83 M87R67-Y71 WeakPolarHBondContact O-CB 3.31Å; R67-Y71 PolarHBondContact O-N 3.16Å; L68-Y71 WeakPolarHBondContact O-CA 3.4Å; L68-Y71 WeakPolarHBondContact O-CB 3.31Å; L68-Y71 PolarHBondContact O-N 2.83Å; N69-Y71 VanDerWaalsContact C-N 3.33Å; N69-Y71 PolarHBondContact O-N 3.1Å; Y71-L73 PolarHBondContact O-N 2.87Å; Y71-K74 PolarHBondContact O-N 3.36Å; Y71-E75 HydrophobicContact CD2-CG 4.03Å; Y71-E75 HydrophobicContact CE1-CB 4.28Å; Y71-E75 HydrophobicContact CE1-CG 4.24Å; Y71-E75 HydrophobicContact CE2-CG 3.71Å; Y71-E75 HydrophobicContact CG-CG 4.43Å; Y71-E75 WeakPolarHBondContact O-CB 3.41Å; Y71-E75 PolarHBondContact O-N 2.97Å; Y71-R77 PolarHBondContact OH-NH1 3.27Å; Y71-R77 PolarHBondContact OH-NH2 2.88Å; Y71-I79 HydrophobicContact CD1-CB 3.9Å; Y71-I79 HydrophobicContact CD1-CD1 4.26Å; Y71-I79 HydrophobicContact CD1-CG1 4.11Å; Y71-I79 HydrophobicContact CE1-CB 3.81Å; Y71-I79 HydrophobicContact CE1-CD1 4.46Å; Y71-I79 HydrophobicContact CE1-CG1 3.9Å; Y71-I79 HydrophobicContact CG-CD1 4.4Å; Y71-T83 HydrophobicContact CE2-CG2 4.22Å; Y71-M87 HydrophobicContact CD2-CE 4.38Å; Y71-M87 HydrophobicContact CG-CE 4.4Å
72E92.6Very high94.4Very high60 Ų6082.2 Ų82.228%0.2839%0.386SS..Hα-helixtrans-63.8-40-179.8-67.6-170.7154.400112.4L68 N69 K74 G76L68-E72 HydrophobicContact CD2-CG 4.26Å; L68-E72 PolarHBondContact O-N 3.21Å; N69-E72 PolarHBondContact O-N 3.41Å; E72-K74 VanDerWaalsContact C-N 3.35Å; E72-K74 PolarHBondContact O-N 3.06Å; E72-G76 VanDerWaalsContact O-CA 3.31Å; E72-G76 WeakPolarHBondContact O-CA 3.29Å; E72-G76 PolarHBondContact O-N 3.1Å
73L95Very high94.3Very high145 Ų14577.4 Ų77.476%0.75937%0.366SS*.Hα-helixtrans-64.7-36.8175.3-73.1170.1000112.8N69 Y71N69-L73 WeakPolarHBondContact O-CB 3.42Å; N69-L73 VanDerWaalsContact O-CG 3.25Å; N69-L73 WeakPolarHBondContact O-CG 3.38Å; N69-L73 PolarHBondContact O-N 3Å; Y71-L73 PolarHBondContact O-N 2.87Å
74K95.5Very high94.3Very high168 Ų16872.1 Ų72.173%0.7335%0.346SS*.Hα-helixtrans-79.8-42.9-178.6-75178.1178.8-172.40113L70 Y71 E72L70-K74 WeakPolarHBondContact O-CB 3.47Å; L70-K74 VanDerWaalsContact O-CG 3.23Å; L70-K74 WeakPolarHBondContact O-CG 3.42Å; L70-K74 PolarHBondContact O-N 3.22Å; L70-K74 VanDerWaalsContact O-N 3.09Å; Y71-K74 PolarHBondContact O-N 3.36Å; E72-K74 VanDerWaalsContact C-N 3.35Å; E72-K74 PolarHBondContact O-N 3.06Å
75E93.9Very high94.3Very high99 Ų9972.7 Ų72.746%0.46335%0.349SS..Hα-helixtrans-94.2-14.2-172.6-66.5-85.8137.700112.9Y71 R77Y71-E75 HydrophobicContact CD2-CG 4.03Å; Y71-E75 HydrophobicContact CE1-CB 4.28Å; Y71-E75 HydrophobicContact CE1-CG 4.24Å; Y71-E75 HydrophobicContact CE2-CG 3.71Å; Y71-E75 HydrophobicContact CG-CG 4.43Å; Y71-E75 WeakPolarHBondContact O-CB 3.41Å; Y71-E75 PolarHBondContact O-N 2.97Å; E75-R77 HydrophobicContact CB-CG 3.92Å; E75-R77 PolarHBondContact O-N 2.76Å; E75-R77 IonicContact OE2-CZ 2.63Å; E75-R77 IonicContact OE2-NE 2.85Å; E75-R77 PolarHBondContact OE2-NE 2.81Å; E75-R77 VanDerWaalsContact OE2-NE 3.09Å; E75-R77 IonicContact OE2-NH2 3.41Å; E75-R77 PolarHBondContact OE2-NH2 3.47Å
76G91.2Very high94.4Very high72 Ų7268.5 Ų68.574%0.74234%0.336SS*.SBendtrans62.822.4-178.400000113.9E72E72-G76 VanDerWaalsContact O-CA 3.31Å; E72-G76 WeakPolarHBondContact O-CA 3.29Å; E72-G76 PolarHBondContact O-N 3.1Å
77R90.6Very high94.4Very high110 Ų11063.5 Ų63.542%0.41532%0.315SS..SBendtrans-146151.5-177.868.2-170.5173111.2-9.3111.8Y71 E75Y71-R77 PolarHBondContact OH-NH1 3.27Å; Y71-R77 PolarHBondContact OH-NH2 2.88Å; E75-R77 HydrophobicContact CB-CG 3.92Å; E75-R77 PolarHBondContact O-N 2.76Å; E75-R77 IonicContact OE2-CZ 2.63Å; E75-R77 IonicContact OE2-NE 2.85Å; E75-R77 PolarHBondContact OE2-NE 2.81Å; E75-R77 VanDerWaalsContact OE2-NE 3.09Å; E75-R77 IonicContact OE2-NH2 3.41Å; E75-R77 PolarHBondContact OE2-NH2 3.47Å
78Q90.1Very high94.4Very high77 Ų7760.1 Ų60.136%0.3630%0.302SS..PPolyproline II helixtrans-63.5143.2172.6-70-174.1-3.900111.4D44D44-Q78 PolarHBondContact OD2-NE2 2.83Å
79I93.6Very high94.5Very high5 Ų560.4 Ų60.43%0.02631%0.306CS..PPolyproline II helixtrans-70.3141.2179.2-163.4167.7000111.2L46 L68 Y71 T83 L84 M87L46-I79 HydrophobicContact CD2-CG2 3.64Å; L68-I79 HydrophobicContact CD1-CG2 3.84Å; L68-I79 HydrophobicContact CG-CG2 4.33Å; Y71-I79 HydrophobicContact CD1-CB 3.9Å; Y71-I79 HydrophobicContact CD1-CD1 4.26Å; Y71-I79 HydrophobicContact CD1-CG1 4.11Å; Y71-I79 HydrophobicContact CE1-CB 3.81Å; Y71-I79 HydrophobicContact CE1-CD1 4.46Å; Y71-I79 HydrophobicContact CE1-CG1 3.9Å; Y71-I79 HydrophobicContact CG-CD1 4.4Å; I79-T83 HydrophobicContact CD1-CG2 4.17Å; I79-T83 HydrophobicContact CG1-CG2 3.97Å; I79-L84 HydrophobicContact CD1-CB 4.08Å; I79-L84 HydrophobicContact CD1-CD1 4.2Å; I79-L84 HydrophobicContact CG1-CB 4.41Å; I79-M87 HydrophobicContact CD1-CE 3.61Å; I79-M87 HydrophobicContact CD1-SD 4.38Å
80K94.4Very high94.5Very high67 Ų6761.7 Ų61.729%0.29131%0.313SS..PPolyproline II helixtrans-82.4149.5173.2-65.4-176173.4-168.80110.6Y82 T83 L84K80-Y82 VanDerWaalsContact C-N 3.27Å; K80-Y82 PolarHBondContact O-N 2.72Å; K80-T83 WeakPolarHBondContact O-CB 3.36Å; K80-T83 PolarHBondContact O-N 3.03Å; K80-L84 PolarHBondContact O-N 3.37Å
81P94.9Very high94.5Very high4 Ų458.7 Ų58.73%0.02630%0.298CS..Hα-helixtrans-53.2-42.6177.8-23.729.5000113.5L46 T83 L84 M85 F117L46-P81 HydrophobicContact CD1-CB 3.87Å; L46-P81 HydrophobicContact CD1-CG 4.02Å; P81-T83 PolarHBondContact O-N 2.91Å; P81-L84 PolarHBondContact O-N 3.27Å; P81-M85 PolarHBondContact O-N 3.03Å; P81-F117 HydrophobicContact CB-CB 3.81Å; P81-F117 HydrophobicContact CB-CD1 3.45Å; P81-F117 VanDerWaalsContact CB-CD1 3.45Å; P81-F117 HydrophobicContact CB-CE1 4.27Å; P81-F117 HydrophobicContact CB-CG 3.83Å; P81-F117 HydrophobicContact CG-CB 4.29Å
82Y94.3Very high94.6Very high145 Ų14557 Ų5757%0.56929%0.291SS*.Hα-helixtrans-64.5-38.5177-171.1-94000112.9K80 M85 S86 F117K80-Y82 VanDerWaalsContact C-N 3.27Å; K80-Y82 PolarHBondContact O-N 2.72Å; Y82-M85 HydrophobicContact CD2-CE 3.81Å; Y82-M85 HydrophobicContact CE1-CE 4.42Å; Y82-M85 HydrophobicContact CE2-CE 3.52Å; Y82-M85 HydrophobicContact CG-CE 4.38Å; Y82-M85 WeakPolarHBondContact O-CB 3.26Å; Y82-M85 PolarHBondContact O-N 2.82Å; Y82-S86 PolarHBondContact O-N 2.76Å; Y82-S86 VanDerWaalsContact O-N 3.14Å; Y82-S86 PolarHBondContact O-OG 2.86Å; Y82-F117 HydrophobicContact CD2-CE2 4.16Å; Y82-F117 HydrophobicContact CD2-CZ 4.31Å
83T95Very high94.7Very high45 Ų4561.3 Ų61.328%0.27631%0.306SS..Hα-helixtrans-69.1-37.1176.5-51.70000111.2Y71 I79 K80 P81 S86 M87Y71-T83 HydrophobicContact CE2-CG2 4.22Å; I79-T83 HydrophobicContact CD1-CG2 4.17Å; I79-T83 HydrophobicContact CG1-CG2 3.97Å; K80-T83 WeakPolarHBondContact O-CB 3.36Å; K80-T83 PolarHBondContact O-N 3.03Å; P81-T83 PolarHBondContact O-N 2.91Å; T83-S86 PolarHBondContact O-N 3.48Å; T83-M87 PolarHBondContact O-N 3.01Å
84L96Very high94.7Very high0 Ų060 Ų600%030%0.295CS..Hα-helixtrans-63.2-43.8172.8-176.968.6000111M42 L46 L68 I79 K80 P81 S86 M87 V88 I106M42-L84 HydrophobicContact CB-CD2 3.94Å; M42-L84 HydrophobicContact CG-CD2 4.05Å; L46-L84 HydrophobicContact CD1-CD2 4.02Å; L46-L84 HydrophobicContact CD2-CB 4.06Å; L46-L84 HydrophobicContact CD2-CD2 3.58Å; L46-L84 HydrophobicContact CD2-CG 4.39Å; L46-L84 HydrophobicContact CG-CD2 3.77Å; L68-L84 HydrophobicContact CD1-CD1 4.29Å; I79-L84 HydrophobicContact CD1-CB 4.08Å; I79-L84 HydrophobicContact CD1-CD1 4.2Å; I79-L84 HydrophobicContact CG1-CB 4.41Å; K80-L84 PolarHBondContact O-N 3.37Å; P81-L84 PolarHBondContact O-N 3.27Å; L84-S86 VanDerWaalsContact C-N 3.34Å; L84-S86 PolarHBondContact O-N 2.74Å; L84-M87 HydrophobicContact CD1-SD 4.48Å; L84-M87 WeakPolarHBondContact O-CB 3.3Å; L84-M87 PolarHBondContact O-N 3.28Å; L84-M87 VanDerWaalsContact O-N 3.1Å; L84-V88 HydrophobicContact CD1-CG2 4.32Å; L84-V88 HydrophobicContact CG-CG2 4.26Å; L84-V88 VanDerWaalsContact O-CG2 3.29Å; L84-V88 WeakPolarHBondContact O-CG2 3.29Å; L84-V88 PolarHBondContact O-N 2.91Å; L84-I106 HydrophobicContact CD2-CG2 4.12Å; L84-I106 HydrophobicContact CG-CD1 4.36Å
85M96.4Very high94.6Very high11 Ų1156.8 Ų56.85%0.05428%0.281CS..Hα-helixtrans-53.3-50.2174.2177.8-158.573.700111.5P81 Y82 M87 V88 A89 I106 F117 C119 P127 V129P81-M85 PolarHBondContact O-N 3.03Å; Y82-M85 HydrophobicContact CD2-CE 3.81Å; Y82-M85 HydrophobicContact CE1-CE 4.42Å; Y82-M85 HydrophobicContact CE2-CE 3.52Å; Y82-M85 HydrophobicContact CG-CE 4.38Å; Y82-M85 WeakPolarHBondContact O-CB 3.26Å; Y82-M85 PolarHBondContact O-N 2.82Å; M85-M87 VanDerWaalsContact C-N 3.32Å; M85-M87 PolarHBondContact O-N 3.21Å; M85-V88 PolarHBondContact O-N 3.4Å; M85-A89 WeakPolarHBondContact O-CB 3.21Å; M85-A89 PolarHBondContact O-N 3.32Å; M85-I106 VanDerWaalsContact CA-CD1 3.48Å; M85-I106 HydrophobicContact CB-CD1 3.98Å; M85-F117 HydrophobicContact CB-CE1 4.32Å; M85-F117 HydrophobicContact CB-CZ 4.41Å; M85-F117 HydrophobicContact SD-CZ 3.86Å; M85-C119 HydrophobicContact CG-CB 4.49Å; M85-P127 HydrophobicContact CG-CB 4Å; M85-P127 HydrophobicContact SD-CB 3.77Å; M85-P127 HydrophobicContact SD-CG 4.41Å; M85-V129 HydrophobicContact SD-CG2 3.77Å
86S96.5Very high94.4Very high44 Ų4457 Ų5731%0.30828%0.278SS..Hα-helixtrans-63.1-37.2177.5-55.40000112.7Y82 T83 L84 N90Y82-S86 PolarHBondContact O-N 2.76Å; Y82-S86 VanDerWaalsContact O-N 3.14Å; Y82-S86 PolarHBondContact O-OG 2.86Å; T83-S86 PolarHBondContact O-N 3.48Å; L84-S86 VanDerWaalsContact C-N 3.34Å; L84-S86 PolarHBondContact O-N 2.74Å; S86-N90 WeakPolarHBondContact O-CB 3Å; S86-N90 VanDerWaalsContact O-CG 3.23Å; S86-N90 PolarHBondContact O-N 3.33Å; S86-N90 PolarHBondContact O-ND2 3.06Å
87M95.7Very high94.4Very high29 Ų2963.3 Ų63.314%0.14329%0.286CS..Hα-helixtrans-63.9-41.9176-176.5-174-69.900112.1R67 Y71 I79 T83 L84 M85 L91R67-M87 HydrophobicContact CB-CE 4.36Å; R67-M87 HydrophobicContact CB-CG 4.49Å; R67-M87 HydrophobicContact CB-SD 3.6Å; R67-M87 VanDerWaalsContact CB-SD 3.6Å; Y71-M87 HydrophobicContact CD2-CE 4.38Å; Y71-M87 HydrophobicContact CG-CE 4.4Å; I79-M87 HydrophobicContact CD1-CE 3.61Å; I79-M87 HydrophobicContact CD1-SD 4.38Å; T83-M87 PolarHBondContact O-N 3.01Å; L84-M87 HydrophobicContact CD1-SD 4.48Å; L84-M87 WeakPolarHBondContact O-CB 3.3Å; L84-M87 PolarHBondContact O-N 3.28Å; L84-M87 VanDerWaalsContact O-N 3.1Å; M85-M87 VanDerWaalsContact C-N 3.32Å; M85-M87 PolarHBondContact O-N 3.21Å; M87-L91 WeakPolarHBondContact O-CB 3.43Å; M87-L91 PolarHBondContact O-N 3.27Å
88V96.6Very high94.6Very high0 Ų060.3 Ų60.30%029%0.289CS..Hα-helixtrans-68.9-46.5178.1177.10000110.4I48 L64 L84 M85 N90 L91 L92 P104 I106 L121I48-V88 HydrophobicContact CD1-CG1 4.48Å; I48-V88 HydrophobicContact CD1-CG2 3.8Å; L64-V88 HydrophobicContact CD1-CG2 3.99Å; L64-V88 HydrophobicContact CD2-CG2 3.69Å; L84-V88 HydrophobicContact CD1-CG2 4.32Å; L84-V88 HydrophobicContact CG-CG2 4.26Å; L84-V88 VanDerWaalsContact O-CG2 3.29Å; L84-V88 WeakPolarHBondContact O-CG2 3.29Å; L84-V88 PolarHBondContact O-N 2.91Å; M85-V88 PolarHBondContact O-N 3.4Å; V88-N90 VanDerWaalsContact C-N 3.31Å; V88-N90 PolarHBondContact O-N 2.92Å; V88-L91 PolarHBondContact O-N 3.4Å; V88-L91 VanDerWaalsContact O-N 3.16Å; V88-L92 HydrophobicContact CG1-CD1 4.14Å; V88-L92 HydrophobicContact CG1-CG 4.42Å; V88-L92 WeakPolarHBondContact O-CG 3.33Å; V88-L92 PolarHBondContact O-N 2.97Å; V88-P104 HydrophobicContact CG1-CB 4.04Å; V88-P104 HydrophobicContact CG1-CG 3.78Å; V88-I106 HydrophobicContact CB-CD1 4.35Å; V88-I106 HydrophobicContact CG2-CD1 4.05Å; V88-L121 HydrophobicContact CB-CD1 4.48Å; V88-L121 HydrophobicContact CB-CD2 4.4Å; V88-L121 HydrophobicContact CG1-CD1 4.05Å; V88-L121 HydrophobicContact CG1-CD2 4.13Å
89A96.8Very high94.8Very high15 Ų1558 Ų5812%0.12428%0.28CS..Hα-helixtrans-54.3-48176.100000111.4M85 L92 Y93 L121 G125M85-A89 WeakPolarHBondContact O-CB 3.21Å; M85-A89 PolarHBondContact O-N 3.32Å; A89-L92 PolarHBondContact O-N 3.19Å; A89-Y93 VanDerWaalsContact O-CB 3.29Å; A89-Y93 WeakPolarHBondContact O-CB 3.42Å; A89-Y93 PolarHBondContact O-N 2.83Å; A89-L121 HydrophobicContact CB-CD2 3.72Å; A89-G125 VanDerWaalsContact CB-O 3.3Å; A89-G125 WeakPolarHBondContact CB-O 3.22Å
90N95.9Very high94.8Very high100 Ų10058.7 Ų58.754%0.53528%0.283SS..Hα-helixtrans-63-44.5177.4-72.1-21000112.2S86 V88 L92 Y93 E94S86-N90 WeakPolarHBondContact O-CB 3Å; S86-N90 VanDerWaalsContact O-CG 3.23Å; S86-N90 PolarHBondContact O-N 3.33Å; S86-N90 PolarHBondContact O-ND2 3.06Å; V88-N90 VanDerWaalsContact C-N 3.31Å; V88-N90 PolarHBondContact O-N 2.92Å; N90-L92 VanDerWaalsContact C-N 3.29Å; N90-L92 PolarHBondContact O-N 2.98Å; N90-Y93 PolarHBondContact O-N 2.93Å; N90-E94 WeakPolarHBondContact O-CB 3.37Å; N90-E94 VanDerWaalsContact O-CG 3.22Å; N90-E94 WeakPolarHBondContact O-CG 3.43Å; N90-E94 PolarHBondContact O-N 3.45Å
91L95.4Very high94.8Very high2 Ų261.1 Ų61.11%0.0129%0.291CS..Hα-helixtrans-59.3-40.3178.6175.967.9000112.4V60 R63 L64 M87 V88V60-L91 HydrophobicContact CG1-CD2 4.15Å; R63-L91 HydrophobicContact CB-CD2 4.4Å; L64-L91 HydrophobicContact CD2-CD2 3.57Å; L64-L91 HydrophobicContact CG-CD2 3.79Å; M87-L91 WeakPolarHBondContact O-CB 3.43Å; M87-L91 PolarHBondContact O-N 3.27Å; V88-L91 PolarHBondContact O-N 3.4Å; V88-L91 VanDerWaalsContact O-N 3.16Å
92L95.8Very high94.8Very high0 Ų060.9 Ų60.90%029%0.29CS..Hα-helixtrans-74-41.9178.7-65.2-180000111.5V88 A89 N90 E94 K95 Y100 P104 L121 D122V88-L92 HydrophobicContact CG1-CD1 4.14Å; V88-L92 HydrophobicContact CG1-CG 4.42Å; V88-L92 WeakPolarHBondContact O-CG 3.33Å; V88-L92 PolarHBondContact O-N 2.97Å; A89-L92 PolarHBondContact O-N 3.19Å; N90-L92 VanDerWaalsContact C-N 3.29Å; N90-L92 PolarHBondContact O-N 2.98Å; L92-E94 VanDerWaalsContact C-N 3.35Å; L92-E94 PolarHBondContact O-N 3.42Å; L92-K95 CarbonylContact O-C 3.54Å; L92-K95 PolarHBondContact O-N 3.03Å; L92-K95 VanDerWaalsContact O-N 3.08Å; L92-Y100 HydrophobicContact CD2-CD2 4.04Å; L92-P104 HydrophobicContact CD1-CG 3.8Å; L92-L121 HydrophobicContact CD1-CB 4.34Å; L92-D122 VanDerWaalsContact CD1-O 3.31Å; L92-D122 WeakPolarHBondContact CD1-O 3.43Å
93Y95.6Very high94.8Very high150 Ų15056.3 Ų56.359%0.58827%0.273SS*.Hα-helixtrans-69.6-30.4-178.9-162.1-97.3000113.1A89 N90 K95 R96 I124A89-Y93 VanDerWaalsContact O-CB 3.29Å; A89-Y93 WeakPolarHBondContact O-CB 3.42Å; A89-Y93 PolarHBondContact O-N 2.83Å; N90-Y93 PolarHBondContact O-N 2.93Å; Y93-K95 PolarHBondContact O-N 3.44Å; Y93-R96 HydrophobicContact CE2-CG 4.4Å; Y93-R96 WeakPolarHBondContact O-CB 3.25Å; Y93-R96 PolarHBondContact O-N 2.95Å; Y93-I124 WeakPolarHBondContact CA-O 3.48Å; Y93-I124 WeakPolarHBondContact CD2-O 3.23Å; Y93-I124 PolarHBondContact N-O 3.38Å
94E94.3Very high94.8Very high116 Ų11654.1 Ų54.154%0.54226%0.26SS..THydrogen-bonded Turntrans-51.6-26.1169.6-80.7167.9-145.300112.3R67 N90 L92R67-E94 IonicContact CZ-OE1 2.99Å; R67-E94 IonicContact CZ-OE2 2.72Å; R67-E94 IonicContact NH1-OE1 3.84Å; R67-E94 PolarHBondContact NH1-OE1 3.37Å; R67-E94 IonicContact NH1-OE2 3.41Å; R67-E94 VanDerWaalsContact NH2-CD 3.33Å; R67-E94 IonicContact NH2-OE1 3.94Å; R67-E94 PolarHBondContact NH2-OE1 3.01Å; R67-E94 IonicContact NH2-OE2 2.81Å; R67-E94 PolarHBondContact NH2-OE2 3.45Å; N90-E94 WeakPolarHBondContact O-CB 3.37Å; N90-E94 VanDerWaalsContact O-CG 3.22Å; N90-E94 WeakPolarHBondContact O-CG 3.43Å; N90-E94 PolarHBondContact O-N 3.45Å; L92-E94 VanDerWaalsContact C-N 3.35Å; L92-E94 PolarHBondContact O-N 3.42Å
95K92.9Very high94.9Very high101 Ų10154.1 Ų54.144%0.43926%0.26SS..THydrogen-bonded Turntrans-110.632.1179.7-75.4-71.6-176.4177.30112.9L92 Y93 F97 G98 P99 Y100L92-K95 CarbonylContact O-C 3.54Å; L92-K95 PolarHBondContact O-N 3.03Å; L92-K95 VanDerWaalsContact O-N 3.08Å; Y93-K95 PolarHBondContact O-N 3.44Å; K95-F97 VanDerWaalsContact C-N 3.28Å; K95-F97 PolarHBondContact O-N 3.49Å; K95-G98 WeakPolarHBondContact CB-O 3.39Å; K95-G98 CarbonylContact O-C 3.49Å; K95-G98 PolarHBondContact O-N 2.83Å; K95-P99 WeakPolarHBondContact O-CA 3.45Å; K95-Y100 HydrophobicContact CB-CD2 4.47Å; K95-Y100 HydrophobicContact CB-CE2 4.31Å; K95-Y100 HydrophobicContact CG-CD2 4.5Å; K95-Y100 HydrophobicContact CG-CE2 3.87Å
96R91.4Very high94.9Very high103 Ų10353.6 Ų53.639%0.38926%0.258SS..THydrogen-bonded Turntrans-50.7-36.8-175.9-178.759.3-175.183-3.8116.1Y93Y93-R96 HydrophobicContact CE2-CG 4.4Å; Y93-R96 WeakPolarHBondContact O-CB 3.25Å; Y93-R96 PolarHBondContact O-N 2.95Å
97F91.2Very high95Very high206 Ų20651.6 Ų51.690%0.90424%0.243SC*.THydrogen-bonded Turntrans-97.74.7-178.5-60.2-70.3000114.1K95K95-F97 VanDerWaalsContact C-N 3.28Å; K95-F97 PolarHBondContact O-N 3.49Å
98G93Very high95Very high47 Ų4750.2 Ų50.249%0.48524%0.237SC..SBendtrans-159.967.6174.100000108.7K95K95-G98 WeakPolarHBondContact CB-O 3.39Å; K95-G98 CarbonylContact O-C 3.49Å; K95-G98 PolarHBondContact O-N 2.83Å
99P94.3Very high95Very high28 Ų2851.3 Ų51.318%0.18224%0.242CC..  trans-69.9157.4-164.928.8-35.8000111.8K95 L123 I124K95-P99 WeakPolarHBondContact O-CA 3.45Å; P99-L123 HydrophobicContact CB-CD1 4.5Å; P99-L123 WeakPolarHBondContact CB-O 3.43Å; P99-L123 HydrophobicContact CG-CD1 4.47Å; P99-I124 HydrophobicContact CB-CG2 4.27Å
100Y95Very high94.8Very high20 Ų2051.8 Ų51.88%0.07824%0.243CC..  trans-69.3129.4160.1-63.4-71.8000108D56 T59 V60 R63 L92 K95 T102D56-Y100 HydrophobicContact CB-CD1 4.23Å; T59-Y100 HydrophobicContact CG2-CE1 4.16Å; V60-Y100 HydrophobicContact CG2-CD1 3.77Å; V60-Y100 HydrophobicContact CG2-CD2 3.88Å; V60-Y100 HydrophobicContact CG2-CE1 4.3Å; V60-Y100 HydrophobicContact CG2-CE2 4.39Å; V60-Y100 HydrophobicContact CG2-CG 3.54Å; R63-Y100 PolarHBondContact NE-OH 3.09Å; R63-Y100 PolarHBondContact NH1-OH 3.31Å; L92-Y100 HydrophobicContact CD2-CD2 4.04Å; K95-Y100 HydrophobicContact CB-CD2 4.47Å; K95-Y100 HydrophobicContact CB-CE2 4.31Å; K95-Y100 HydrophobicContact CG-CD2 4.5Å; K95-Y100 HydrophobicContact CG-CE2 3.87Å; Y100-T102 PolarHBondContact O-N 2.91Å
101Y94.6Very high94.5Very high117 Ų11749.2 Ų49.246%0.45923%0.231SC..SBendtrans-79.560.3176.2-67.1-77.4000110.4G52 L53 D56G52-Y101 CarbonylContact C-O 3.48Å; G52-Y101 WeakPolarHBondContact CA-O 3.31Å; L53-Y101 HydrophobicContact CD2-CD2 4.4Å; L53-Y101 PolarHBondContact N-O 3.45Å; D56-Y101 PolarHBondContact OD2-N 3.08Å
102T93.6Very high94.2Very high0 Ų057.1 Ų57.10%027%0.266CS..EExtended strand (participates in β ladder)trans-131.8142.5178.160.20000110.3A51 D56 V57 V60 Y100 P104 L123A51-T102 CarbonylContact O-C 3.55Å; A51-T102 WeakPolarHBondContact O-CA 3.3Å; D56-T102 HydrophobicContact CB-CG2 3.54Å; V57-T102 HydrophobicContact CG2-CG2 3.99Å; V60-T102 HydrophobicContact CG2-CG2 4.43Å; Y100-T102 PolarHBondContact O-N 2.91Å; T102-P104 WeakPolarHBondContact O-CD 3.16Å; T102-L123 WeakPolarHBondContact O-CA 3.43Å
103E94.1Very high94Very high48 Ų4860.9 Ų60.922%0.22429%0.289CS..EExtended strand (participates in β ladder)trans-114.6103169.5-74.5171.1175.500107.7M1 A51 S136 G137M1-E103 HydrophobicContact CE-CG 4.02Å; M1-E103 WeakPolarHBondContact CE-OE1 3.46Å; M1-E103 VanDerWaalsContact SD-CD 3.55Å; M1-E103 HydrophobicContact SD-CG 3.58Å; M1-E103 VanDerWaalsContact SD-CG 3.58Å; M1-E103 VanDerWaalsContact SD-OE1 3.37Å; A51-E103 PolarHBondContact N-O 2.94Å; A51-E103 PolarHBondContact O-N 3.36Å; E103-S136 WeakPolarHBondContact CB-OG 3.32Å; E103-S136 PolarHBondContact O-OG 3.02Å; E103-S136 PolarHBondContact OE2-OG 3.01Å; E103-G137 PolarHBondContact OE2-N 3.38Å; E103-G137 VanDerWaalsContact OE2-N 3.09Å
104P96.2Very high93.8Very high0 Ų058.4 Ų58.40%028%0.281CS..EExtended strand (participates in β ladder)trans-76.4144.1179.2-17.431.1000112.8I48 G49 L50 V88 L92 T102 S120 L121I48-P104 HydrophobicContact CD1-CB 3.99Å; I48-P104 HydrophobicContact CG1-CB 4.24Å; G49-P104 CarbonylContact O-C 3.52Å; G49-P104 WeakPolarHBondContact O-CA 3.35Å; L50-P104 HydrophobicContact CD2-CB 3.7Å; L50-P104 HydrophobicContact CD2-CG 3.86Å; V88-P104 HydrophobicContact CG1-CB 4.04Å; V88-P104 HydrophobicContact CG1-CG 3.78Å; L92-P104 HydrophobicContact CD1-CG 3.8Å; T102-P104 WeakPolarHBondContact O-CD 3.16Å; P104-S120 CarbonylContact O-C 3.58Å; P104-S120 WeakPolarHBondContact O-CA 3.25Å; P104-L121 HydrophobicContact CB-CD1 4.25Å; P104-L121 WeakPolarHBondContact CD-O 3.36Å; P104-L121 HydrophobicContact CG-CB 4.45Å; P104-L121 PolarHBondContact O-N 2.87Å
105V97.1Very high93.8Very high0 Ų059.8 Ų59.80%029%0.286CS..EExtended strand (participates in β ladder)trans-121.4119.5168.4174.60000108.1V8 A10 I19 I48 G49 C119 V134V8-V105 HydrophobicContact CB-CG2 4.33Å; V8-V105 HydrophobicContact CG1-CB 3.79Å; V8-V105 HydrophobicContact CG1-CG1 4.24Å; V8-V105 HydrophobicContact CG1-CG2 3.98Å; A10-V105 HydrophobicContact CB-CG1 3.6Å; I19-V105 HydrophobicContact CD1-CG1 4.29Å; I48-V105 CarbonylContact C-O 3.59Å; I48-V105 VanDerWaalsContact CA-O 3.31Å; I48-V105 WeakPolarHBondContact CA-O 3.29Å; G49-V105 PolarHBondContact N-O 2.99Å; G49-V105 PolarHBondContact O-N 2.97Å; V105-C119 CarbonylContact C-O 3.48Å; V105-C119 WeakPolarHBondContact CA-O 3.34Å; V105-V134 HydrophobicContact CG1-CG2 3.58Å
106I97.4Very high94Very high0 Ų055.9 Ų55.90%027%0.271CS..EExtended strand (participates in β ladder)trans-101.9132.9178.2-59.5171.7000108.2L46 I48 L84 M85 V88 I118 C119 L121L46-I106 HydrophobicContact CD1-CG2 3.89Å; I48-I106 HydrophobicContact CD1-CG1 4.04Å; I48-I106 HydrophobicContact CG1-CG1 3.96Å; L84-I106 HydrophobicContact CD2-CG2 4.12Å; L84-I106 HydrophobicContact CG-CD1 4.36Å; M85-I106 VanDerWaalsContact CA-CD1 3.48Å; M85-I106 HydrophobicContact CB-CD1 3.98Å; V88-I106 HydrophobicContact CB-CD1 4.35Å; V88-I106 HydrophobicContact CG2-CD1 4.05Å; I106-I118 CarbonylContact O-C 3.51Å; I106-I118 VanDerWaalsContact O-CA 3.31Å; I106-I118 WeakPolarHBondContact O-CA 3.5Å; I106-C119 PolarHBondContact N-O 3.06Å; I106-C119 PolarHBondContact O-N 2.96Å; I106-L121 HydrophobicContact CD1-CD1 3.74Å; I106-L121 HydrophobicContact CG1-CD1 4.23Å
107A97.5Very high94.2Very high1 Ų152.6 Ų52.61%0.00826%0.259CS..EExtended strand (participates in β ladder)trans-139127.4173.800000109.7A10 V17 I19 Y47 I118A10-A107 HydrophobicContact CB-CB 3.84Å; V17-A107 HydrophobicContact CG2-CB 4.49Å; I19-A107 HydrophobicContact CB-CB 3.97Å; I19-A107 HydrophobicContact CD1-CB 4.17Å; I19-A107 HydrophobicContact CG2-CB 4.49Å; Y47-A107 PolarHBondContact N-O 3.3Å; Y47-A107 PolarHBondContact O-N 2.99Å; A107-I118 HydrophobicContact CB-CG2 4.28Å
108G96.4Very high94.5Very high0 Ų042.9 Ų42.90%022%0.216CC..EExtended strand (participates in β ladder)trans-170.3175.5175.600000114.4R45 F117R45-G108 CarbonylContact O-C 3.57Å; R45-G108 WeakPolarHBondContact O-CA 3.37Å; G108-F117 PolarHBondContact N-O 2.89Å; G108-F117 PolarHBondContact O-N 3.33Å
109L95.7Very high94.7Very high23 Ų2340.6 Ų40.612%0.1219%0.193CC..EExtended strand (participates in β ladder)trans-107.7139.7172.6-58.4-179000109.2V17 R45 P116V17-L109 HydrophobicContact CG1-CD2 4.14Å; V17-L109 HydrophobicContact CG2-CD2 4.3Å; V17-L109 HydrophobicContact CG2-CG 4.43Å; R45-L109 HydrophobicContact CB-CB 4.23Å; R45-L109 PolarHBondContact O-N 3.17Å; L109-P116 HydrophobicContact CD2-CB 3.61Å; L109-P116 HydrophobicContact CD2-CG 4.43Å
110D93.6Very high94.7Very high25 Ų2540 Ų4013%0.13419%0.189CC..  trans-62.2128.6171.5-178.8-76.7000110K112 T113 F114 K115D110-K112 PolarHBondContact O-N 2.85Å; D110-K112 VanDerWaalsContact O-N 3.12Å; D110-K112 PolarHBondContact OD1-N 2.91Å; D110-T113 VanDerWaalsContact CB-OG1 3.27Å; D110-T113 WeakPolarHBondContact CB-OG1 3.25Å; D110-T113 VanDerWaalsContact CG-OG1 3.27Å; D110-T113 PolarHBondContact OD1-N 3.2Å; D110-T113 PolarHBondContact OD1-OG1 3.05Å; D110-F114 VanDerWaalsContact O-CA 3.23Å; D110-F114 WeakPolarHBondContact O-CA 3.37Å; D110-F114 PolarHBondContact O-N 2.91Å; D110-K115 PolarHBondContact N-O 3.16Å
111P90.3Very high94.8Very high46 Ų4639.2 Ų39.230%0.29919%0.187SC..THydrogen-bonded Turntrans-60.7-24.5-174.9-26.433.7000115
112K89.2Confident94.8Very high168 Ų16836.4 Ų36.473%0.7318%0.18SC*.THydrogen-bonded Turntrans-99.9-44.9-177.5-64.3-170.7177.6-169.80112.2D110D110-K112 PolarHBondContact O-N 2.85Å; D110-K112 VanDerWaalsContact O-N 3.12Å; D110-K112 PolarHBondContact OD1-N 2.91Å
113T91.4Very high94.7Very high79 Ų7938.6 Ų38.649%0.48519%0.191SC..THydrogen-bonded Turntrans-97.5-10.9-172.360.80000113.4D110 K115D110-T113 VanDerWaalsContact CB-OG1 3.27Å; D110-T113 WeakPolarHBondContact CB-OG1 3.25Å; D110-T113 VanDerWaalsContact CG-OG1 3.27Å; D110-T113 PolarHBondContact OD1-N 3.2Å; D110-T113 PolarHBondContact OD1-OG1 3.05Å; T113-K115 PolarHBondContact O-N 3.12Å
114F91.6Very high94.7Very high98 Ų9838 Ų3843%0.4319%0.189SC..  trans54.218.3-173-57.4-67.9000114.3D110D110-F114 VanDerWaalsContact O-CA 3.23Å; D110-F114 WeakPolarHBondContact O-CA 3.37Å; D110-F114 PolarHBondContact O-N 2.91Å
115K93.9Very high94.5Very high146 Ų14638.3 Ų38.364%0.63519%0.193SC*.  trans-68.4127.7176.2-73.7-174.4178-1730109.3D110 T113D110-K115 PolarHBondContact N-O 3.16Å; T113-K115 PolarHBondContact O-N 3.12Å
116P95.9Very high94.5Very high19 Ų1942 Ų4212%0.12322%0.218CC..EExtended strand (participates in β ladder)trans-73.1138176.919.6-17.6000111.4K12 V17 L109K12-P116 HydrophobicContact CD-CB 4.13Å; K12-P116 HydrophobicContact CD-CG 4.2Å; K12-P116 WeakPolarHBondContact CE-O 3.27Å; K12-P116 HydrophobicContact CG-CB 3.93Å; K12-P116 HydrophobicContact CG-CG 4.01Å; V17-P116 HydrophobicContact CG1-CB 3.45Å; V17-P116 VanDerWaalsContact CG1-CB 3.45Å; L109-P116 HydrophobicContact CD2-CB 3.61Å; L109-P116 HydrophobicContact CD2-CG 4.43Å
117F96.2Very high94.4Very high34 Ų3444.8 Ų44.815%0.14924%0.236CC..EExtended strand (participates in β ladder)trans-134.4129.2-179.1-177.5-93.5000109.8P81 Y82 M85 G108 C119 V129P81-F117 HydrophobicContact CB-CB 3.81Å; P81-F117 HydrophobicContact CB-CD1 3.45Å; P81-F117 VanDerWaalsContact CB-CD1 3.45Å; P81-F117 HydrophobicContact CB-CE1 4.27Å; P81-F117 HydrophobicContact CB-CG 3.83Å; P81-F117 HydrophobicContact CG-CB 4.29Å; Y82-F117 HydrophobicContact CD2-CE2 4.16Å; Y82-F117 HydrophobicContact CD2-CZ 4.31Å; M85-F117 HydrophobicContact CB-CE1 4.32Å; M85-F117 HydrophobicContact CB-CZ 4.41Å; M85-F117 HydrophobicContact SD-CZ 3.86Å; G108-F117 PolarHBondContact N-O 2.89Å; G108-F117 PolarHBondContact O-N 3.33Å; F117-C119 HydrophobicContact CE1-CB 3.66Å; F117-C119 HydrophobicContact CZ-CB 3.88Å; F117-V129 HydrophobicContact CE2-CG1 3.81Å; F117-V129 HydrophobicContact CE2-CG2 4.3Å; F117-V129 HydrophobicContact CZ-CG1 4.31Å; F117-V129 HydrophobicContact CZ-CG2 4.1Å
118I97.1Very high94.2Very high1 Ų149.4 Ų49.41%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-129.2146171.460.3172.1000109A10 K12 V17 I106 A107 T130 V134A10-I118 HydrophobicContact CB-CG2 4.14Å; K12-I118 HydrophobicContact CB-CD1 3.89Å; K12-I118 HydrophobicContact CB-CG1 4.24Å; K12-I118 HydrophobicContact CB-CG2 4.3Å; V17-I118 HydrophobicContact CG1-CG2 4.08Å; I106-I118 CarbonylContact O-C 3.51Å; I106-I118 VanDerWaalsContact O-CA 3.31Å; I106-I118 WeakPolarHBondContact O-CA 3.5Å; A107-I118 HydrophobicContact CB-CG2 4.28Å; I118-T130 WeakPolarHBondContact CG1-O 3.49Å; I118-V134 HydrophobicContact CB-CG2 4.3Å; I118-V134 HydrophobicContact CD1-CG1 4.42Å
119C96.9Very high94.2Very high0 Ų053.1 Ų53.10%028%0.281CS..EExtended strand (participates in β ladder)trans-156.1140.1177.3-176.70000109.2M85 V105 I106 F117 M128 V129M85-C119 HydrophobicContact CG-CB 4.49Å; V105-C119 CarbonylContact C-O 3.48Å; V105-C119 WeakPolarHBondContact CA-O 3.34Å; I106-C119 PolarHBondContact N-O 3.06Å; I106-C119 PolarHBondContact O-N 2.96Å; F117-C119 HydrophobicContact CE1-CB 3.66Å; F117-C119 HydrophobicContact CZ-CB 3.88Å; C119-M128 WeakPolarHBondContact CA-O 3.49Å; C119-M128 PolarHBondContact SG-O 3.22Å; C119-M128 VanDerWaalsContact SG-O 3.41Å; C119-V129 HydrophobicContact CB-CG2 4.32Å
120S95.9Very high94Very high14 Ų1453.6 Ų53.610%0.09829%0.285CS..EExtended strand (participates in β ladder)trans-104.4154.4161.652.20000109.8P104 P127 M128P104-S120 CarbonylContact O-C 3.58Å; P104-S120 WeakPolarHBondContact O-CA 3.25Å; S120-P127 WeakPolarHBondContact O-CA 3.47Å; S120-M128 PolarHBondContact N-O 3.42Å; S120-M128 PolarHBondContact O-N 2.78Å
121L96.3Very high93.9Very high5 Ų557.7 Ų57.73%0.02631%0.307CS..EExtended strand (participates in β ladder)trans-125.5144169.5-61.696.1000109.5V88 A89 L92 P104 I106 C126 P127V88-L121 HydrophobicContact CB-CD1 4.48Å; V88-L121 HydrophobicContact CB-CD2 4.4Å; V88-L121 HydrophobicContact CG1-CD1 4.05Å; V88-L121 HydrophobicContact CG1-CD2 4.13Å; A89-L121 HydrophobicContact CB-CD2 3.72Å; L92-L121 HydrophobicContact CD1-CB 4.34Å; P104-L121 HydrophobicContact CB-CD1 4.25Å; P104-L121 WeakPolarHBondContact CD-O 3.36Å; P104-L121 HydrophobicContact CG-CB 4.45Å; P104-L121 PolarHBondContact O-N 2.87Å; I106-L121 HydrophobicContact CD1-CD1 3.74Å; I106-L121 HydrophobicContact CG1-CD1 4.23Å; L121-C126 VanDerWaalsContact CA-O 3.31Å; L121-C126 WeakPolarHBondContact CA-O 3.43Å; L121-P127 HydrophobicContact CD2-CB 4.28Å; L121-P127 HydrophobicContact CG-CB 4.3Å
122D94.1Very high94Very high58 Ų5861.1 Ų61.131%0.3132%0.322SS..  trans-74.4176.2168.175.83.6000111.5L92 I124 G125 C126L92-D122 VanDerWaalsContact CD1-O 3.31Å; L92-D122 WeakPolarHBondContact CD1-O 3.43Å; D122-I124 PolarHBondContact O-N 2.83Å; D122-I124 VanDerWaalsContact O-N 3.1Å; D122-I124 WeakPolarHBondContact OD1-CG1 3.37Å; D122-I124 PolarHBondContact OD1-N 3.24Å; D122-I124 VanDerWaalsContact OD2-CG1 3.26Å; D122-I124 WeakPolarHBondContact OD2-CG1 3.42Å; D122-G125 PolarHBondContact O-N 3.45Å; D122-G125 VanDerWaalsContact O-N 3.14Å; D122-G125 PolarHBondContact OD1-N 2.9Å; D122-C126 VanDerWaalsContact CG-CB 3.46Å; D122-C126 PolarHBondContact N-O 2.98Å; D122-C126 VanDerWaalsContact N-O 3.14Å; D122-C126 WeakPolarHBondContact OD1-CB 3.47Å; D122-C126 PolarHBondContact OD1-N 3.07Å; D122-C126 VanDerWaalsContact OD2-CB 3.27Å; D122-C126 WeakPolarHBondContact OD2-CB 3.36Å
123L92.2Very high94.3Very high46 Ų4656.6 Ų56.624%0.24130%0.303CS..THydrogen-bonded Turntrans-64.6-10.4-179.548.669.5000115.4M1 P99 T102M1-L123 HydrophobicContact CE-CD2 3.67Å; M1-L123 HydrophobicContact CE-CG 4.47Å; M1-L123 HydrophobicContact SD-CD2 4.35Å; P99-L123 HydrophobicContact CB-CD1 4.5Å; P99-L123 WeakPolarHBondContact CB-O 3.43Å; P99-L123 HydrophobicContact CG-CD1 4.47Å; T102-L123 WeakPolarHBondContact O-CA 3.43Å
124I93.6Very high94.5Very high34 Ų3453 Ų5317%0.17428%0.281CS..THydrogen-bonded Turntrans-113.53.7177.654168.7000112.5Y93 P99 D122Y93-I124 WeakPolarHBondContact CA-O 3.48Å; Y93-I124 WeakPolarHBondContact CD2-O 3.23Å; Y93-I124 PolarHBondContact N-O 3.38Å; P99-I124 HydrophobicContact CB-CG2 4.27Å; D122-I124 PolarHBondContact O-N 2.83Å; D122-I124 VanDerWaalsContact O-N 3.1Å; D122-I124 WeakPolarHBondContact OD1-CG1 3.37Å; D122-I124 PolarHBondContact OD1-N 3.24Å; D122-I124 VanDerWaalsContact OD2-CG1 3.26Å; D122-I124 WeakPolarHBondContact OD2-CG1 3.42Å
125G92.7Very high94.7Very high8 Ų848.7 Ų48.78%0.08226%0.263CS..  trans91.417.5173.900000115.4A89 D122 P127A89-G125 VanDerWaalsContact CB-O 3.3Å; A89-G125 WeakPolarHBondContact CB-O 3.22Å; D122-G125 PolarHBondContact O-N 3.45Å; D122-G125 VanDerWaalsContact O-N 3.14Å; D122-G125 PolarHBondContact OD1-N 2.9Å; G125-P127 VanDerWaalsContact O-CD 3.28Å; G125-P127 WeakPolarHBondContact O-CD 3.15Å
126C95.4Very high94.7Very high77 Ų7741.9 Ų41.952%0.5223%0.233SC..  trans-71.8116.4168.9-170.20000109.8L121 D122L121-C126 VanDerWaalsContact CA-O 3.31Å; L121-C126 WeakPolarHBondContact CA-O 3.43Å; D122-C126 VanDerWaalsContact CG-CB 3.46Å; D122-C126 PolarHBondContact N-O 2.98Å; D122-C126 VanDerWaalsContact N-O 3.14Å; D122-C126 WeakPolarHBondContact OD1-CB 3.47Å; D122-C126 PolarHBondContact OD1-N 3.07Å; D122-C126 VanDerWaalsContact OD2-CB 3.27Å; D122-C126 WeakPolarHBondContact OD2-CB 3.36Å
127P95.5Very high94.4Very high59 Ų5941.8 Ų41.838%0.38324%0.236SC..EExtended strand (participates in β ladder)trans-85.3134.6-179.533.3-31.7000111.8M85 S120 L121 G125M85-P127 HydrophobicContact CG-CB 4Å; M85-P127 HydrophobicContact SD-CB 3.77Å; M85-P127 HydrophobicContact SD-CG 4.41Å; S120-P127 WeakPolarHBondContact O-CA 3.47Å; L121-P127 HydrophobicContact CD2-CB 4.28Å; L121-P127 HydrophobicContact CG-CB 4.3Å; G125-P127 VanDerWaalsContact O-CD 3.28Å; G125-P127 WeakPolarHBondContact O-CD 3.15Å
128M94.9Very high94.2Very high97 Ų9743.6 Ų43.648%0.47825%0.25SC..EExtended strand (participates in β ladder)trans-112106.2168.2-176-172.4-17900108.6C119 S120 T130C119-M128 WeakPolarHBondContact CA-O 3.49Å; C119-M128 PolarHBondContact SG-O 3.22Å; C119-M128 VanDerWaalsContact SG-O 3.41Å; S120-M128 PolarHBondContact N-O 3.42Å; S120-M128 PolarHBondContact O-N 2.78Å; M128-T130 HydrophobicContact CE-CG2 3.73Å; M128-T130 HydrophobicContact CG-CG2 4.07Å; M128-T130 HydrophobicContact SD-CG2 4.48Å
129V94.6Very high93.9Very high79 Ų7945.7 Ų45.748%0.47926%0.264SS..EExtended strand (participates in β ladder)trans-97.6123.9177.3-176.80000108.4M85 F117 C119M85-V129 HydrophobicContact SD-CG2 3.77Å; F117-V129 HydrophobicContact CE2-CG1 3.81Å; F117-V129 HydrophobicContact CE2-CG2 4.3Å; F117-V129 HydrophobicContact CZ-CG1 4.31Å; F117-V129 HydrophobicContact CZ-CG2 4.1Å; C119-V129 HydrophobicContact CB-CG2 4.32Å
130T91.9Very high93.5Very high33 Ų3346.9 Ų46.920%0.20227%0.274CS..EExtended strand (participates in β ladder)trans-131.2162.917963.10000111.1I118 M128 F133 V134I118-T130 WeakPolarHBondContact CG1-O 3.49Å; M128-T130 HydrophobicContact CE-CG2 3.73Å; M128-T130 HydrophobicContact CG-CG2 4.07Å; M128-T130 HydrophobicContact SD-CG2 4.48Å; T130-F133 PolarHBondContact OG1-O 3.07Å; T130-V134 HydrophobicContact CG2-CG1 4.37Å; T130-V134 WeakPolarHBondContact OG1-CG1 3.4Å
131D91.3Very high93.3Very high110 Ų11053.9 Ų53.959%0.58831%0.305SS*.SBendtrans-96.7-16.2178.7-80.4-45.9000114.1K12K12-D131 WeakPolarHBondContact CB-O 3.49Å; K12-D131 WeakPolarHBondContact CD-O 3.21Å; K12-D131 IonicContact NZ-OD1 2.87Å; K12-D131 PolarHBondContact NZ-OD1 3.39Å
132D93.4Very high93.1Very high118 Ų11859.8 Ų59.863%0.63133%0.333SS*.SBendtrans-101.7-73.6-172.2-52.2-39.3000111.1K12K12-D132 PolarHBondContact N-O 3.44Å
133F95.6Very high93Very high74 Ų7458.9 Ų58.933%0.32533%0.327SS..EExtended strand (participates in β ladder)trans-152.3163.2-179.467.4-85.9000111.6A10 M11 T130 V135 Y144A10-F133 CarbonylContact O-C 3.56Å; A10-F133 WeakPolarHBondContact O-CA 3.48Å; A10-F133 WeakPolarHBondContact O-CB 3.46Å; M11-F133 HydrophobicContact CG-CB 3.83Å; T130-F133 PolarHBondContact OG1-O 3.07Å; F133-V135 HydrophobicContact CD2-CG1 3.91Å; F133-V135 HydrophobicContact CE2-CG1 4.14Å; F133-Y144 AromaticContact CE2-CD1 3.59Å; F133-Y144 HydrophobicContact CE2-CD1 3.59Å; F133-Y144 AromaticContact CE2-CE1 3.89Å; F133-Y144 HydrophobicContact CE2-CE1 3.89Å; F133-Y144 AromaticContact CZ-CD1 3.95Å; F133-Y144 HydrophobicContact CZ-CD1 3.95Å; F133-Y144 HydrophobicContact CZ-CE1 4.44Å
134V95.6Very high92.8Very high2 Ų262.7 Ų62.71%0.01234%0.339CS..EExtended strand (participates in β ladder)trans-137.9146173.2-68.20000109.6M9 A10 V105 I118 T130M9-V134 CarbonylContact C-O 3.53Å; M9-V134 VanDerWaalsContact CA-O 3.28Å; M9-V134 WeakPolarHBondContact CA-O 3.21Å; M9-V134 WeakPolarHBondContact CG-O 3.36Å; A10-V134 HydrophobicContact CB-CG2 3.8Å; A10-V134 PolarHBondContact N-O 2.84Å; A10-V134 PolarHBondContact O-N 3.49Å; V105-V134 HydrophobicContact CG1-CG2 3.58Å; I118-V134 HydrophobicContact CB-CG2 4.3Å; I118-V134 HydrophobicContact CD1-CG1 4.42Å; T130-V134 HydrophobicContact CG2-CG1 4.37Å; T130-V134 WeakPolarHBondContact OG1-CG1 3.4Å
135V94.5Very high92.4Very high9 Ų967 Ų676%0.05539%0.392CS..EExtended strand (participates in β ladder)trans-133.4152.6-177.7-58.10000110.5V8 M9 F133 A140 M143 Y144V8-V135 CarbonylContact O-C 3.6Å; V8-V135 WeakPolarHBondContact O-CA 3.26Å; M9-V135 HydrophobicContact CB-CG1 4.31Å; M9-V135 HydrophobicContact CE-CG1 3.38Å; M9-V135 HydrophobicContact CG-CG1 3.97Å; M9-V135 HydrophobicContact SD-CG1 4.49Å; F133-V135 HydrophobicContact CD2-CG1 3.91Å; F133-V135 HydrophobicContact CE2-CG1 4.14Å; V135-A140 HydrophobicContact CG2-CB 4.22Å; V135-M143 HydrophobicContact CB-CB 4.13Å; V135-M143 HydrophobicContact CB-CE 4.09Å; V135-M143 HydrophobicContact CG1-CB 3.76Å; V135-Y144 HydrophobicContact CG2-CD1 4.18Å; V135-Y144 HydrophobicContact CG2-CD2 3.72Å; V135-Y144 HydrophobicContact CG2-CE1 3.71Å; V135-Y144 HydrophobicContact CG2-CE2 3.2Å; V135-Y144 HydrophobicContact CG2-CG 4.18Å; V135-Y144 WeakPolarHBondContact CG2-OH 3.38Å
136S93.9Very high92.3Very high3 Ų370 Ų702%0.02141%0.407CS..EExtended strand (participates in β ladder)trans-155.5150.8177.6168.80000111.5A7 V8 A51 E103 M143A7-S136 WeakPolarHBondContact CA-O 3.26Å; V8-S136 PolarHBondContact N-O 3Å; V8-S136 PolarHBondContact O-N 3.27Å; A51-S136 WeakPolarHBondContact CB-OG 3.5Å; E103-S136 WeakPolarHBondContact CB-OG 3.32Å; E103-S136 PolarHBondContact O-OG 3.02Å; E103-S136 PolarHBondContact OE2-OG 3.01Å; S136-M143 WeakPolarHBondContact O-CE 3.23Å
137G91.4Very high92.2Very high17 Ų1769.6 Ų69.618%0.17540%0.401CS..EExtended strand (participates in β ladder)trans105.3-167.317600000114G6 E103 C139 A140G6-G137 CarbonylContact O-C 3.53Å; G6-G137 WeakPolarHBondContact O-CA 3.46Å; E103-G137 PolarHBondContact OE2-N 3.38Å; E103-G137 VanDerWaalsContact OE2-N 3.09Å; G137-C139 PolarHBondContact O-N 3.42Å; G137-A140 WeakPolarHBondContact O-CB 3.49Å; G137-A140 PolarHBondContact O-N 3.07Å
138T91.9Very high92Very high71 Ų7170.2 Ų70.244%0.43640%0.402SS..THydrogen-bonded Turntrans-68.7-25.9-165.8460000116G6G6-T138 PolarHBondContact N-OG1 2.77Å; G6-T138 PolarHBondContact O-N 3.5Å; G6-T138 PolarHBondContact O-OG1 2.95Å
139C90.5Very high91.8Very high45 Ų4568.6 Ų68.630%0.30440%0.398SS..THydrogen-bonded Turntrans-109.433178660000112.1A7 G137 E141 Q142 M143A7-C139 WeakPolarHBondContact CB-SG 3.38Å; G137-C139 PolarHBondContact O-N 3.42Å; C139-E141 VanDerWaalsContact C-N 3.31Å; C139-E141 PolarHBondContact O-N 2.96Å; C139-Q142 VanDerWaalsContact C-OE1 3.31Å; C139-Q142 PolarHBondContact O-N 2.81Å; C139-Q142 PolarHBondContact O-OE1 2.99Å; C139-M143 WeakPolarHBondContact O-CB 3.5Å; C139-M143 WeakPolarHBondContact O-CG 3.34Å; C139-M143 PolarHBondContact O-N 2.93Å
140A89.2Confident91.6Very high25 Ų2567.9 Ų67.921%0.20739%0.393CS..Hα-helixtrans-56.7-42.3179.300000112.5V135 G137 Q142 M143 Y144V135-A140 HydrophobicContact CG2-CB 4.22Å; G137-A140 WeakPolarHBondContact O-CB 3.49Å; G137-A140 PolarHBondContact O-N 3.07Å; A140-Q142 PolarHBondContact O-N 3.15Å; A140-M143 WeakPolarHBondContact O-CB 3.29Å; A140-M143 PolarHBondContact O-N 2.84Å; A140-M143 VanDerWaalsContact O-N 3.15Å; A140-Y144 WeakPolarHBondContact O-CD2 3.18Å; A140-Y144 PolarHBondContact O-N 2.91Å
141E90.6Very high91.6Very high161 Ų16170.3 Ų70.375%0.75241%0.406SS*.Hα-helixtrans-60-46.3178.2-67-176169.600112.2C139 M143 Y144C139-E141 VanDerWaalsContact C-N 3.31Å; C139-E141 PolarHBondContact O-N 2.96Å; E141-M143 PolarHBondContact O-N 3Å; E141-Y144 PolarHBondContact O-N 2.79Å
142Q92.6Very high91.6Very high130 Ų13067.4 Ų67.461%0.60739%0.393SS*.Hα-helixtrans-68.4-27177.8-62.580.55.700112.5C139 A140C139-Q142 VanDerWaalsContact C-OE1 3.31Å; C139-Q142 PolarHBondContact O-N 2.81Å; C139-Q142 PolarHBondContact O-OE1 2.99Å; A140-Q142 PolarHBondContact O-N 3.15Å
143M91.6Very high91.5Very high39 Ų3963.5 Ų63.519%0.19237%0.374CS..Hα-helixtrans-76.7-22.3176.2-80-167.7-67.400113.1A7 M9 V135 S136 C139 A140 E141 G145A7-M143 HydrophobicContact CB-CE 3.76Å; A7-M143 HydrophobicContact CB-SD 4.07Å; M9-M143 HydrophobicContact CB-SD 4.12Å; M9-M143 HydrophobicContact CE-CB 3.59Å; M9-M143 HydrophobicContact CE-CG 3.91Å; M9-M143 VanDerWaalsContact CE-O 3.31Å; M9-M143 WeakPolarHBondContact CE-O 3.24Å; M9-M143 HydrophobicContact CE-SD 4.1Å; V135-M143 HydrophobicContact CB-CB 4.13Å; V135-M143 HydrophobicContact CB-CE 4.09Å; V135-M143 HydrophobicContact CG1-CB 3.76Å; S136-M143 WeakPolarHBondContact O-CE 3.23Å; C139-M143 WeakPolarHBondContact O-CB 3.5Å; C139-M143 WeakPolarHBondContact O-CG 3.34Å; C139-M143 PolarHBondContact O-N 2.93Å; A140-M143 WeakPolarHBondContact O-CB 3.29Å; A140-M143 PolarHBondContact O-N 2.84Å; A140-M143 VanDerWaalsContact O-N 3.15Å; E141-M143 PolarHBondContact O-N 3Å; M143-G145 VanDerWaalsContact C-N 3.34Å
144Y88.8Confident91.2Very high125 Ų12562.7 Ų62.749%0.4938%0.378SS..Hα-helixtrans-74.3-25.6173.4-82-66.1000113F133 V135 A140 E141F133-Y144 AromaticContact CE2-CD1 3.59Å; F133-Y144 HydrophobicContact CE2-CD1 3.59Å; F133-Y144 AromaticContact CE2-CE1 3.89Å; F133-Y144 HydrophobicContact CE2-CE1 3.89Å; F133-Y144 AromaticContact CZ-CD1 3.95Å; F133-Y144 HydrophobicContact CZ-CD1 3.95Å; F133-Y144 HydrophobicContact CZ-CE1 4.44Å; V135-Y144 HydrophobicContact CG2-CD1 4.18Å; V135-Y144 HydrophobicContact CG2-CD2 3.72Å; V135-Y144 HydrophobicContact CG2-CE1 3.71Å; V135-Y144 HydrophobicContact CG2-CE2 3.2Å; V135-Y144 HydrophobicContact CG2-CG 4.18Å; V135-Y144 WeakPolarHBondContact CG2-OH 3.38Å; A140-Y144 WeakPolarHBondContact O-CD2 3.18Å; A140-Y144 PolarHBondContact O-N 2.91Å; E141-Y144 PolarHBondContact O-N 2.79Å
145G83.7Confident90.8Very high125 Ų12568.2 Ų68.2100%1.28941%0.412SS*.  trans111.60-179.600000112.5M143M143-G145 VanDerWaalsContact C-N 3.34Å

Retrieved 145 of 145 residues in 231.3 ms (Link to these results)

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