A0A087XNZ8_POEFO Loading...

Arrestin domain containing 1

AlphaFold DB , UniProt , Accession A0A087XNZ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 436 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
1M49.4Very low85.2Confident210 Ų21071.7 Ų71.7100%1.03436%0.357SS*.  0123.30-70.8178.482.200107.6K3M1-K3 PolarHBondContact O-N 2.9Å; M1-K3 VanDerWaalsContact O-N 3.13Å
2G55.5Low86.1Confident16 Ų1668.8 Ų68.817%0.16535%0.352CS..  trans-65.1114.1-175.100000112.1L4 S34G2-L4 PolarHBondContact O-N 3.41Å; G2-S34 WeakPolarHBondContact CA-OG 3.09Å
3K73.7Confident86.6Confident177 Ų17775.9 Ų75.977%0.7739%0.392SS*.  trans-77.4106-179.1-157175.4-178.3-176.50106.9M1 Q5 G33M1-K3 PolarHBondContact O-N 2.9Å; M1-K3 VanDerWaalsContact O-N 3.13Å; K3-Q5 PolarHBondContact O-N 2.76Å; K3-G33 PolarHBondContact O-N 3.19Å
4L87.7Confident87Confident33 Ų3380.1 Ų80.117%0.17342%0.415CS..EExtended strand (participates in β ladder)trans-51.8125.4163.6179.573.5000107.7G2 E6 F7 I30 T32 I115 Y124G2-L4 PolarHBondContact O-N 3.41Å; L4-E6 WeakPolarHBondContact CD1-O 3.5Å; L4-F7 HydrophobicContact CD1-CB 4.26Å; L4-F7 HydrophobicContact CD2-CB 3.69Å; L4-F7 HydrophobicContact CD2-CD1 4.31Å; L4-F7 HydrophobicContact CD2-CG 4.34Å; L4-F7 HydrophobicContact CG-CB 4.27Å; L4-I30 HydrophobicContact CD1-CG2 3.71Å; L4-T32 HydrophobicContact CD1-CG2 4.13Å; L4-I115 HydrophobicContact CD1-CD1 4.42Å; L4-Y124 HydrophobicContact CB-CD1 4.15Å; L4-Y124 HydrophobicContact CB-CE1 3.67Å; L4-Y124 HydrophobicContact CB-CE2 4.5Å; L4-Y124 HydrophobicContact CD2-CD1 3.14Å; L4-Y124 HydrophobicContact CD2-CD2 4.23Å; L4-Y124 HydrophobicContact CD2-CE1 3.58Å; L4-Y124 HydrophobicContact CD2-CG 3.49Å; L4-Y124 VanDerWaalsContact CD2-CG 3.49Å; L4-Y124 HydrophobicContact CG-CD1 4.28Å; L4-Y124 HydrophobicContact CG-CE1 4.3Å
5Q91.9Very high87.4Confident127 Ų12780.5 Ų80.559%0.59341%0.412SS*.EExtended strand (participates in β ladder)trans-96.8-38-177.4-65.8178.9-12.400111.3K3 R31 G33K3-Q5 PolarHBondContact O-N 2.76Å; Q5-R31 HydrophobicContact CB-CB 4.28Å; Q5-R31 HydrophobicContact CB-CG 4.27Å; Q5-R31 WeakPolarHBondContact CB-O 3.33Å; Q5-R31 PolarHBondContact N-O 2.71Å; Q5-G33 VanDerWaalsContact NE2-CA 3.3Å
6E94.4Very high87.9Confident45 Ų4579.1 Ų79.121%0.2141%0.409CS..EExtended strand (participates in β ladder)trans-144.9138.9-177.9-166.8180-178.900109.2L4 D8 K29 I30 R31L4-E6 WeakPolarHBondContact CD1-O 3.5Å; E6-D8 WeakPolarHBondContact CG-OD2 3.41Å; E6-K29 WeakPolarHBondContact OE1-CD 3.24Å; E6-K29 WeakPolarHBondContact OE1-CE 3.16Å; E6-K29 IonicContact OE1-NZ 2.94Å; E6-K29 PolarHBondContact OE1-NZ 2.72Å; E6-K29 VanDerWaalsContact OE2-CE 3.25Å; E6-K29 WeakPolarHBondContact OE2-CE 3.35Å; E6-K29 IonicContact OE2-NZ 3.62Å; E6-K29 PolarHBondContact OE2-NZ 3.04Å; E6-I30 WeakPolarHBondContact O-CA 3.21Å; E6-R31 HydrophobicContact CB-CB 3.59Å; E6-R31 PolarHBondContact N-O 2.86Å; E6-R31 PolarHBondContact O-N 3.02Å; E6-R31 IonicContact OE2-CZ 2.81Å; E6-R31 IonicContact OE2-NE 2.7Å
7F96.1Very high88.4Confident22 Ų2277 Ų7710%0.09640%0.4CS..EExtended strand (participates in β ladder)trans-152.294.8172.1179.7-149.5000110.5L4 V28 K29 I30 A113 I115 K125 A126L4-F7 HydrophobicContact CD1-CB 4.26Å; L4-F7 HydrophobicContact CD2-CB 3.69Å; L4-F7 HydrophobicContact CD2-CD1 4.31Å; L4-F7 HydrophobicContact CD2-CG 4.34Å; L4-F7 HydrophobicContact CG-CB 4.27Å; F7-V28 HydrophobicContact CD2-CG1 3.99Å; F7-V28 HydrophobicContact CE2-CG1 3.46Å; F7-V28 VanDerWaalsContact CE2-CG1 3.46Å; F7-K29 WeakPolarHBondContact CA-O 3.04Å; F7-I30 HydrophobicContact CD2-CD1 4.33Å; F7-I30 HydrophobicContact CD2-CG1 3.7Å; F7-I30 HydrophobicContact CE2-CD1 4.16Å; F7-I30 HydrophobicContact CE2-CG1 4Å; F7-A113 HydrophobicContact CE2-CB 3.67Å; F7-A113 HydrophobicContact CZ-CB 3.49Å; F7-A113 VanDerWaalsContact CZ-CB 3.49Å; F7-A113 WeakPolarHBondContact CZ-O 3.5Å; F7-I115 HydrophobicContact CD2-CD1 4.42Å; F7-I115 HydrophobicContact CE1-CD1 4.37Å; F7-I115 HydrophobicContact CE1-CG1 4.19Å; F7-I115 HydrophobicContact CE2-CD1 4.24Å; F7-I115 HydrophobicContact CE2-CG1 4.18Å; F7-I115 HydrophobicContact CZ-CD1 4.22Å; F7-I115 HydrophobicContact CZ-CG1 3.83Å; F7-K125 VanDerWaalsContact CE1-C 3.48Å; F7-A126 HydrophobicContact CD1-CB 3.69Å; F7-A126 HydrophobicContact CD2-CB 4.24Å; F7-A126 HydrophobicContact CE1-CB 3.76Å; F7-A126 HydrophobicContact CE2-CB 4.32Å; F7-A126 HydrophobicContact CG-CB 3.96Å; F7-A126 HydrophobicContact CZ-CB 4.1Å; F7-A126 WeakPolarHBondContact O-CB 3.43Å
8D96.1Very high88.9Confident83 Ų8373.2 Ų73.244%0.44438%0.38SS..EExtended strand (participates in β ladder)trans-131157.2-170.6-72.4-45.4000112.1E6 V28 K29E6-D8 WeakPolarHBondContact CG-OD2 3.41Å; D8-V28 CarbonylContact O-C 3.56Å; D8-V28 WeakPolarHBondContact O-CA 3.44Å; D8-K29 PolarHBondContact N-O 3.32Å; D8-K29 PolarHBondContact O-N 3.17Å
9I98Very high89.3Confident8 Ų870.1 Ų70.14%0.04137%0.367CS..EExtended strand (participates in β ladder)trans-118.9123.7177.5-56.4170.6000107.3F11 V28 F88 V111 A113 A126 R128I9-F11 HydrophobicContact CG2-CE1 4.18Å; I9-V28 HydrophobicContact CG1-CG2 4.44Å; I9-F88 HydrophobicContact CG2-CE1 3.8Å; I9-F88 HydrophobicContact CG2-CZ 3.72Å; I9-V111 HydrophobicContact CD1-CG1 4.37Å; I9-V111 WeakPolarHBondContact CD1-O 3.45Å; I9-V111 HydrophobicContact CG2-CB 4.48Å; I9-V111 HydrophobicContact CG2-CG1 4.26Å; I9-A113 HydrophobicContact CD1-CB 3.73Å; I9-A113 HydrophobicContact CG1-CB 3.95Å; I9-A126 HydrophobicContact CD1-CB 4.21Å; I9-A126 HydrophobicContact CG1-CB 4.26Å; I9-R128 HydrophobicContact CB-CB 3.93Å; I9-R128 HydrophobicContact CD1-CB 4.44Å; I9-R128 HydrophobicContact CG2-CB 4.01Å
10T97.1Very high89.6Confident58 Ų5868.9 Ų68.936%0.35636%0.364SS..EExtended strand (participates in β ladder)trans-117.9130.417657.60000110G26 T27T10-G26 CarbonylContact O-C 3.55Å; T10-G26 WeakPolarHBondContact O-CA 3.37Å; T10-T27 PolarHBondContact N-O 3.32Å; T10-T27 PolarHBondContact O-N 2.95Å; T10-T27 PolarHBondContact OG1-O 3.23Å
11F97.6Very high89.9Confident10 Ų1067.5 Ų67.54%0.04437%0.367CS..EExtended strand (participates in β ladder)trans-82.3149.4172.9-58.9-42.4000111.3I9 N13 N14 K15 V16 I24 F88 V111 R128 P129 F130I9-F11 HydrophobicContact CG2-CE1 4.18Å; F11-N13 PolarHBondContact O-N 3.3Å; F11-N14 PolarHBondContact O-N 3.35Å; F11-K15 WeakPolarHBondContact CB-O 3.27Å; F11-K15 WeakPolarHBondContact CD2-O 3.4Å; F11-V16 HydrophobicContact CD2-CG1 4.34Å; F11-I24 HydrophobicContact CD1-CD1 4.14Å; F11-I24 HydrophobicContact CD1-CG1 4.23Å; F11-I24 HydrophobicContact CE1-CD1 3.78Å; F11-I24 HydrophobicContact CE1-CG1 4.3Å; F11-I24 HydrophobicContact CZ-CD1 4.11Å; F11-F88 HydrophobicContact CD1-CZ 4.14Å; F11-F88 HydrophobicContact CE1-CZ 4.21Å; F11-V111 HydrophobicContact CE1-CB 4.01Å; F11-V111 HydrophobicContact CE1-CG2 3.72Å; F11-V111 HydrophobicContact CZ-CB 4.37Å; F11-V111 HydrophobicContact CZ-CG2 4.16Å; F11-R128 HydrophobicContact CD2-CG 4.22Å; F11-R128 HydrophobicContact CE1-CB 4.4Å; F11-R128 HydrophobicContact CE1-CG 4.32Å; F11-R128 HydrophobicContact CE2-CB 4.25Å; F11-R128 HydrophobicContact CE2-CG 3.47Å; F11-R128 VanDerWaalsContact CE2-CG 3.47Å; F11-R128 HydrophobicContact CZ-CB 3.78Å; F11-R128 HydrophobicContact CZ-CG 3.53Å; F11-P129 WeakPolarHBondContact CE2-O 3.25Å; F11-F130 HydrophobicContact CE2-CB 3.86Å; F11-F130 HydrophobicContact CZ-CB 4.14Å; F11-F130 HydrophobicContact CZ-CD1 4.2Å
12A95.5Very high92.2Very high36 Ų3660.8 Ų60.830%0.29833%0.333SS..G310 helixtrans-56.8134173.600000110.2N14 K15 S25A12-N14 PolarHBondContact O-N 3.21Å; A12-K15 PolarHBondContact O-N 2.87Å; A12-K15 VanDerWaalsContact O-N 3.13Å; A12-S25 WeakPolarHBondContact CB-OG 3.49Å; A12-S25 PolarHBondContact N-O 3.39Å
13N93.4Very high94.1Very high162 Ų16262.5 Ų62.587%0.86634%0.342SS*.G310 helixtrans56.218.2-179.4-50.9-22.7000114.8F11 K15F11-N13 PolarHBondContact O-N 3.3Å; N13-K15 PolarHBondContact O-N 2.8Å; N13-K15 VanDerWaalsContact O-N 3.07Å
14N91.4Very high95.2Very high135 Ų13554.1 Ų54.172%0.72231%0.305SS*.G310 helixtrans53.124.7-171.8-58.3-39.9000113.7F11 A12 V16F11-N14 PolarHBondContact O-N 3.35Å; A12-N14 PolarHBondContact O-N 3.21Å; N14-V16 PolarHBondContact O-N 3.49Å
15K93.8Very high95.7Very high85 Ų8554.5 Ų54.537%0.3731%0.311SS..  trans-66.8130175-177.5173.3173.1179.10108.8F11 A12 N13 V17 Y18 E22F11-K15 WeakPolarHBondContact CB-O 3.27Å; F11-K15 WeakPolarHBondContact CD2-O 3.4Å; A12-K15 PolarHBondContact O-N 2.87Å; A12-K15 VanDerWaalsContact O-N 3.13Å; N13-K15 PolarHBondContact O-N 2.8Å; N13-K15 VanDerWaalsContact O-N 3.07Å; K15-V17 WeakPolarHBondContact CE-O 3.23Å; K15-V17 WeakPolarHBondContact CG-O 3.35Å; K15-Y18 HydrophobicContact CD-CD1 4.22Å; K15-Y18 HydrophobicContact CD-CE1 3.91Å; K15-Y18 HydrophobicContact CG-CE1 4.09Å; K15-Y18 HydrophobicContact CG-CE2 4.42Å; K15-Y18 PolarHBondContact O-OH 2.99Å; K15-E22 WeakPolarHBondContact CE-OE2 3.2Å; K15-E22 IonicContact NZ-OE1 2.96Å; K15-E22 PolarHBondContact NZ-OE1 2.91Å; K15-E22 IonicContact NZ-OE2 2.93Å; K15-E22 PolarHBondContact NZ-OE2 3.46Å
16V94Very high96Very high59 Ų5948.9 Ų48.936%0.35829%0.287SS..  trans-123.4-10.7-178.4-660000113.5F11 N14 Y131F11-V16 HydrophobicContact CD2-CG1 4.34Å; N14-V16 PolarHBondContact O-N 3.49Å; V16-Y131 PolarHBondContact O-N 3.11Å
17V96.4Very high96.1Very high43 Ų4348.4 Ų48.426%0.26129%0.287SS..EExtended strand (participates in β ladder)trans-114.6129.3175.9-175.10000108.4K15 Y131 L133 I385K15-V17 WeakPolarHBondContact CE-O 3.23Å; K15-V17 WeakPolarHBondContact CG-O 3.35Å; V17-Y131 CarbonylContact C-O 3.59Å; V17-Y131 WeakPolarHBondContact CA-O 3.47Å; V17-L133 HydrophobicContact CG1-CB 4.08Å; V17-I385 HydrophobicContact CG1-CD1 4.42Å; V17-I385 HydrophobicContact CG2-CD1 4.27Å
18Y97.4Very high96.2Very high8 Ų847.3 Ų47.33%0.03128%0.283CS..EExtended strand (participates in β ladder)trans-127.6153.3-177.1-64.1-92.9000111.5K15 E22 I24 L92 F130 Y131 V132 L133K15-Y18 HydrophobicContact CD-CD1 4.22Å; K15-Y18 HydrophobicContact CD-CE1 3.91Å; K15-Y18 HydrophobicContact CG-CE1 4.09Å; K15-Y18 HydrophobicContact CG-CE2 4.42Å; K15-Y18 PolarHBondContact O-OH 2.99Å; Y18-E22 WeakPolarHBondContact CA-OE2 3.12Å; Y18-E22 WeakPolarHBondContact CB-OE2 3.44Å; Y18-E22 HydrophobicContact CD1-CB 4.49Å; Y18-E22 WeakPolarHBondContact CD1-OE2 3.41Å; Y18-I24 HydrophobicContact CD1-CB 4.41Å; Y18-I24 HydrophobicContact CD2-CD1 4.43Å; Y18-I24 HydrophobicContact CE1-CB 4.03Å; Y18-I24 HydrophobicContact CE1-CG1 4.16Å; Y18-I24 HydrophobicContact CE2-CD1 3.87Å; Y18-I24 HydrophobicContact CE2-CG1 4.15Å; Y18-L92 HydrophobicContact CG-CD1 4.27Å; Y18-F130 HydrophobicContact CD2-CB 4.13Å; Y18-F130 AromaticContact CD2-CD2 3.77Å; Y18-F130 HydrophobicContact CD2-CD2 3.77Å; Y18-F130 HydrophobicContact CD2-CG 4.24Å; Y18-F130 HydrophobicContact CE2-CB 4.01Å; Y18-F130 HydrophobicContact CE2-CD2 4.32Å; Y18-F130 HydrophobicContact CE2-CG 4.36Å; Y18-Y131 PolarHBondContact N-O 3.23Å; Y18-V132 CarbonylContact O-C 3.54Å; Y18-V132 VanDerWaalsContact O-CA 3.25Å; Y18-V132 WeakPolarHBondContact O-CA 3.29Å; Y18-L133 PolarHBondContact O-N 2.91Å
19G96.5Very high96.3Very high14 Ų1445 Ų4514%0.14427%0.269CS..  trans-99167.9173.600000112.9E22G19-E22 PolarHBondContact N-OE2 3.01Å; G19-E22 WeakPolarHBondContact O-CB 3.48Å; G19-E22 PolarHBondContact O-N 3.09Å
20P96.3Very high96.3Very high46 Ų4644.7 Ų44.730%0.29927%0.267SS..THydrogen-bonded Turntrans-56.2139.7170.3-22.132.4000112.6E22 A94 I96 N134P20-E22 PolarHBondContact O-N 2.83Å; P20-E22 VanDerWaalsContact O-N 3.16Å; P20-A94 WeakPolarHBondContact CB-O 3.19Å; P20-I96 HydrophobicContact CB-CG2 3.94Å; P20-I96 HydrophobicContact CG-CG2 4.09Å; P20-N134 HydrophobicContact CG-CB 3.64Å
21G96Very high96.2Very high41 Ų4146.4 Ų46.442%0.42327%0.267SS..THydrogen-bonded Turntrans74.9-9.7-179.400000115.4L92G21-L92 WeakPolarHBondContact CA-O 3.29Å; G21-L92 PolarHBondContact N-O 3.13Å
22E96.6Very high96.1Very high69 Ų6946 Ų4632%0.32227%0.266SS..PPolyproline II helixtrans-68.7154.3179.3-68.9-165.8152.600112.5K15 Y18 G19 P20 L92K15-E22 WeakPolarHBondContact CE-OE2 3.2Å; K15-E22 IonicContact NZ-OE1 2.96Å; K15-E22 PolarHBondContact NZ-OE1 2.91Å; K15-E22 IonicContact NZ-OE2 2.93Å; K15-E22 PolarHBondContact NZ-OE2 3.46Å; Y18-E22 WeakPolarHBondContact CA-OE2 3.12Å; Y18-E22 WeakPolarHBondContact CB-OE2 3.44Å; Y18-E22 HydrophobicContact CD1-CB 4.49Å; Y18-E22 WeakPolarHBondContact CD1-OE2 3.41Å; G19-E22 PolarHBondContact N-OE2 3.01Å; G19-E22 WeakPolarHBondContact O-CB 3.48Å; G19-E22 PolarHBondContact O-N 3.09Å; P20-E22 PolarHBondContact O-N 2.83Å; P20-E22 VanDerWaalsContact O-N 3.16Å; E22-L92 WeakPolarHBondContact O-CB 3.1Å; E22-L92 PolarHBondContact O-N 2.78Å
23S96.4Very high96Very high52 Ų5246.3 Ų46.336%0.36427%0.272SS..EExtended strand (participates in β ladder)trans-89.5127.6170.3-70.50000111.4Q89 F90S23-Q89 PolarHBondContact OG-NE2 2.64Å; S23-F90 CarbonylContact C-O 3.57Å; S23-F90 VanDerWaalsContact CA-O 3.25Å; S23-F90 WeakPolarHBondContact CA-O 3.31Å
24I96.9Very high95.9Very high0 Ų040.5 Ų40.50%024%0.244CC..EExtended strand (participates in β ladder)trans-94.3117.5166.2-178.2164.6000109F11 Y18 Q89 F90 L92 V111 F130F11-I24 HydrophobicContact CD1-CD1 4.14Å; F11-I24 HydrophobicContact CD1-CG1 4.23Å; F11-I24 HydrophobicContact CE1-CD1 3.78Å; F11-I24 HydrophobicContact CE1-CG1 4.3Å; F11-I24 HydrophobicContact CZ-CD1 4.11Å; Y18-I24 HydrophobicContact CD1-CB 4.41Å; Y18-I24 HydrophobicContact CD2-CD1 4.43Å; Y18-I24 HydrophobicContact CE1-CB 4.03Å; Y18-I24 HydrophobicContact CE1-CG1 4.16Å; Y18-I24 HydrophobicContact CE2-CD1 3.87Å; Y18-I24 HydrophobicContact CE2-CG1 4.15Å; I24-Q89 CarbonylContact O-C 3.48Å; I24-Q89 VanDerWaalsContact O-CA 3.28Å; I24-Q89 WeakPolarHBondContact O-CA 3.41Å; I24-F90 HydrophobicContact CG2-CB 3.7Å; I24-F90 HydrophobicContact CG2-CD2 4.31Å; I24-F90 PolarHBondContact N-O 3.42Å; I24-F90 PolarHBondContact O-N 2.92Å; I24-L92 HydrophobicContact CG2-CD2 4.27Å; I24-V111 HydrophobicContact CD1-CG2 3.74Å; I24-V111 HydrophobicContact CG1-CG2 4.5Å; I24-F130 HydrophobicContact CD1-CB 4.36Å; I24-F130 HydrophobicContact CD1-CD1 3.5Å; I24-F130 VanDerWaalsContact CD1-CD1 3.5Å; I24-F130 HydrophobicContact CD1-CD2 4.14Å; I24-F130 HydrophobicContact CD1-CE1 3.66Å; I24-F130 HydrophobicContact CD1-CE2 4.27Å; I24-F130 HydrophobicContact CD1-CG 3.75Å; I24-F130 HydrophobicContact CD1-CZ 4.03Å
25S97.6Very high96Very high42 Ų4238 Ų3829%0.29424%0.235SC..EExtended strand (participates in β ladder)trans-124.7154.4177.361.30000111.3A12 F88A12-S25 WeakPolarHBondContact CB-OG 3.49Å; A12-S25 PolarHBondContact N-O 3.39Å; S25-F88 VanDerWaalsContact CA-O 3.29Å; S25-F88 WeakPolarHBondContact CA-O 3.42Å
26G97.7Very high96Very high9 Ų934.7 Ų34.79%0.09322%0.221CC..EExtended strand (participates in β ladder)trans-176-166.5-177.600000113.2T10 P87 F88T10-G26 CarbonylContact O-C 3.55Å; T10-G26 WeakPolarHBondContact O-CA 3.37Å; G26-P87 WeakPolarHBondContact O-CA 3.45Å; G26-F88 PolarHBondContact N-O 2.8Å; G26-F88 PolarHBondContact O-N 3.12Å
27T98.1Very high96Very high34 Ų3437.5 Ų37.521%0.20923%0.23CC..EExtended strand (participates in β ladder)trans-138.9135.9179.3-60.50000109.9T10 R85 F86 F88T10-T27 PolarHBondContact N-O 3.32Å; T10-T27 PolarHBondContact O-N 2.95Å; T10-T27 PolarHBondContact OG1-O 3.23Å; T27-R85 HydrophobicContact CG2-CB 3.78Å; T27-R85 HydrophobicContact CG2-CG 4.37Å; T27-F86 WeakPolarHBondContact CA-O 3.31Å; T27-F88 VanDerWaalsContact N-CE1 3.34Å
28V98.2Very high95.9Very high0 Ų036.8 Ų36.80%022%0.223CC..EExtended strand (participates in β ladder)trans-89.9120.2165.8179.70000107.9F7 D8 I9 I30 V43 R85 F86 F88 A113F7-V28 HydrophobicContact CD2-CG1 3.99Å; F7-V28 HydrophobicContact CE2-CG1 3.46Å; F7-V28 VanDerWaalsContact CE2-CG1 3.46Å; D8-V28 CarbonylContact O-C 3.56Å; D8-V28 WeakPolarHBondContact O-CA 3.44Å; I9-V28 HydrophobicContact CG1-CG2 4.44Å; V28-I30 HydrophobicContact CG1-CD1 4.16Å; V28-I30 HydrophobicContact CG1-CG1 4.04Å; V28-V43 HydrophobicContact CG2-CG2 3.62Å; V28-R85 WeakPolarHBondContact O-CA 3.45Å; V28-F86 HydrophobicContact CB-CB 4.28Å; V28-F86 PolarHBondContact N-O 2.85Å; V28-F86 PolarHBondContact O-N 2.86Å; V28-F88 HydrophobicContact CG2-CD1 3.92Å; V28-F88 HydrophobicContact CG2-CE1 4.07Å; V28-A113 HydrophobicContact CG1-CB 3.97Å; V28-A113 HydrophobicContact CG2-CB 3.87Å
29K97.6Very high95.7Very high35 Ų3541.4 Ų41.415%0.15224%0.244CC..EExtended strand (participates in β ladder)trans-103.7126.6178.6-172-175.1176.9-153.50109.1E6 F7 D8 E83E6-K29 WeakPolarHBondContact OE1-CD 3.24Å; E6-K29 WeakPolarHBondContact OE1-CE 3.16Å; E6-K29 IonicContact OE1-NZ 2.94Å; E6-K29 PolarHBondContact OE1-NZ 2.72Å; E6-K29 VanDerWaalsContact OE2-CE 3.25Å; E6-K29 WeakPolarHBondContact OE2-CE 3.35Å; E6-K29 IonicContact OE2-NZ 3.62Å; E6-K29 PolarHBondContact OE2-NZ 3.04Å; F7-K29 WeakPolarHBondContact CA-O 3.04Å; D8-K29 PolarHBondContact N-O 3.32Å; D8-K29 PolarHBondContact O-N 3.17Å; K29-E83 VanDerWaalsContact CE-OE1 3.28Å; K29-E83 WeakPolarHBondContact CE-OE1 3.37Å; K29-E83 WeakPolarHBondContact CE-OE2 3.34Å; K29-E83 HydrophobicContact CG-CG 4.26Å; K29-E83 IonicContact NZ-OE2 3.56Å
30I97.4Very high95.7Very high0 Ų041.2 Ų41.20%024%0.24CC..EExtended strand (participates in β ladder)trans-127.5125.1-179.1-60.7170.8000108.1L4 E6 F7 V28 T32 I41 L79 E83 H84 F86 I115L4-I30 HydrophobicContact CD1-CG2 3.71Å; E6-I30 WeakPolarHBondContact O-CA 3.21Å; F7-I30 HydrophobicContact CD2-CD1 4.33Å; F7-I30 HydrophobicContact CD2-CG1 3.7Å; F7-I30 HydrophobicContact CE2-CD1 4.16Å; F7-I30 HydrophobicContact CE2-CG1 4Å; V28-I30 HydrophobicContact CG1-CD1 4.16Å; V28-I30 HydrophobicContact CG1-CG1 4.04Å; I30-T32 HydrophobicContact CG2-CG2 4.02Å; I30-I41 HydrophobicContact CD1-CD1 3.88Å; I30-I41 HydrophobicContact CD1-CG2 4.18Å; I30-L79 HydrophobicContact CB-CD1 4.44Å; I30-L79 HydrophobicContact CD1-CD1 4.31Å; I30-L79 HydrophobicContact CG2-CD1 3.65Å; I30-E83 CarbonylContact O-C 3.59Å; I30-E83 WeakPolarHBondContact O-CA 3.34Å; I30-H84 HydrophobicContact CB-CB 4.47Å; I30-H84 PolarHBondContact N-O 3.23Å; I30-H84 PolarHBondContact O-N 3.09Å; I30-F86 HydrophobicContact CD1-CD2 3.96Å; I30-F86 HydrophobicContact CD1-CE2 3.85Å; I30-I115 HydrophobicContact CD1-CD1 3.71Å; I30-I115 HydrophobicContact CD1-CG1 4.12Å; I30-I115 HydrophobicContact CG1-CD1 4.24Å; I30-I115 HydrophobicContact CG2-CD1 4.19Å
31R96.4Very high95.8Very high94 Ų9439 Ų3936%0.35523%0.226SC..EExtended strand (participates in β ladder)trans-118.2127.2172-167.8178.2-73.3-176.2-4.5110.4Q5 E6 G82 E83Q5-R31 HydrophobicContact CB-CB 4.28Å; Q5-R31 HydrophobicContact CB-CG 4.27Å; Q5-R31 WeakPolarHBondContact CB-O 3.33Å; Q5-R31 PolarHBondContact N-O 2.71Å; E6-R31 HydrophobicContact CB-CB 3.59Å; E6-R31 PolarHBondContact N-O 2.86Å; E6-R31 PolarHBondContact O-N 3.02Å; E6-R31 IonicContact OE2-CZ 2.81Å; E6-R31 IonicContact OE2-NE 2.7Å; R31-G82 VanDerWaalsContact CA-O 3.3Å; R31-G82 WeakPolarHBondContact CA-O 3.44Å; R31-E83 IonicContact CZ-OE2 3.78Å; R31-E83 IonicContact NE-OE2 3.74Å; R31-E83 IonicContact NH2-OE2 2.68Å; R31-E83 PolarHBondContact NH2-OE2 3.32Å
32T94.8Very high95.8Very high3 Ų339.9 Ų39.92%0.01822%0.218CC..EExtended strand (participates in β ladder)trans-123135.4-179.658.60000110.7L4 I30 S34 L36 L79 A80 P81 G82L4-T32 HydrophobicContact CD1-CG2 4.13Å; I30-T32 HydrophobicContact CG2-CG2 4.02Å; T32-S34 VanDerWaalsContact C-N 3.34Å; T32-S34 WeakPolarHBondContact CB-O 3.49Å; T32-L36 HydrophobicContact CG2-CB 4.02Å; T32-L36 HydrophobicContact CG2-CD2 3.98Å; T32-L79 HydrophobicContact CG2-CB 4.45Å; T32-L79 HydrophobicContact CG2-CD1 4.3Å; T32-A80 PolarHBondContact OG1-O 3.16Å; T32-P81 WeakPolarHBondContact O-CA 3.31Å; T32-G82 PolarHBondContact N-O 3.01Å; T32-G82 PolarHBondContact O-N 2.95Å
33G93.3Very high95.9Very high42 Ų4236.6 Ų36.643%0.43320%0.203SC..SBendtrans-82.8-12176.100000114.1K3 Q5K3-G33 PolarHBondContact O-N 3.19Å; Q5-G33 VanDerWaalsContact NE2-CA 3.3Å
34S92.1Very high96Very high39 Ų3935.7 Ų35.727%0.27319%0.194SC..SBendtrans-151171175.984.40000109.7G2 T32 L36G2-S34 WeakPolarHBondContact CA-OG 3.09Å; T32-S34 VanDerWaalsContact C-N 3.34Å; T32-S34 WeakPolarHBondContact CB-O 3.49Å; S34-L36 PolarHBondContact O-N 2.83Å
35P93.3Very high96.1Very high82 Ų8235.7 Ų35.753%0.53219%0.194SC..  trans-56.1130.8177.4-23.834.5000111.9I78 L79 P81P35-I78 HydrophobicContact CB-CG2 3.92Å; P35-L79 CarbonylContact C-O 3.54Å; P35-L79 VanDerWaalsContact CA-O 3.24Å; P35-L79 WeakPolarHBondContact CA-O 3.37Å; P35-P81 HydrophobicContact CG-CG 4.22Å
36L92.9Very high96.1Very high16 Ų1635.9 Ų35.98%0.08419%0.192CC..EExtended strand (participates in β ladder)trans-120.9114.117917965.4000110.1T32 S34 I78 L79 Y124T32-L36 HydrophobicContact CG2-CB 4.02Å; T32-L36 HydrophobicContact CG2-CD2 3.98Å; S34-L36 PolarHBondContact O-N 2.83Å; L36-I78 CarbonylContact O-C 3.47Å; L36-I78 WeakPolarHBondContact O-CA 3.33Å; L36-L79 HydrophobicContact CB-CB 4.34Å; L36-L79 HydrophobicContact CD2-CD1 4.42Å; L36-L79 PolarHBondContact N-O 3.38Å; L36-L79 PolarHBondContact O-N 2.98Å; L36-Y124 HydrophobicContact CD1-CE2 4.12Å; L36-Y124 HydrophobicContact CD2-CD2 4.45Å; L36-Y124 HydrophobicContact CD2-CE2 4.09Å
37Q93.6Very high96.1Very high118 Ų11835.6 Ų35.655%0.55119%0.188SC*.EExtended strand (participates in β ladder)trans-77.3136.4175-59-172.8-2.300110.6I78 P118Q37-I78 HydrophobicContact CG-CD1 4.39Å; Q37-I78 HydrophobicContact CG-CG1 4.17Å; Q37-P118 HydrophobicContact CB-CG 3.86Å; Q37-P118 VanDerWaalsContact O-CD 3.3Å; Q37-P118 WeakPolarHBondContact O-CD 3.43Å
38Y94.3Very high96Very high28 Ų2835.2 Ų35.211%0.1119%0.187CC..EExtended strand (participates in β ladder)trans-140153.2177.165.9-85000110.9I41 A74 D75 K76 G77 L79 D116Y38-I41 HydrophobicContact CD2-CD1 4.12Å; Y38-I41 HydrophobicContact CD2-CG1 3.62Å; Y38-I41 HydrophobicContact CE1-CD1 4.45Å; Y38-I41 HydrophobicContact CE2-CD1 3.92Å; Y38-I41 HydrophobicContact CE2-CG1 3.77Å; Y38-I41 HydrophobicContact CG-CD1 4.45Å; Y38-I41 HydrophobicContact CG-CG1 4.17Å; Y38-A74 HydrophobicContact CE2-CB 3.75Å; Y38-D75 WeakPolarHBondContact CE2-O 3.42Å; Y38-D75 PolarHBondContact OH-O 3.17Å; Y38-K76 WeakPolarHBondContact O-CA 3.35Å; Y38-G77 WeakPolarHBondContact CD1-O 3.45Å; Y38-G77 PolarHBondContact N-O 2.82Å; Y38-G77 PolarHBondContact O-N 2.94Å; Y38-L79 HydrophobicContact CD1-CD2 4.43Å; Y38-L79 HydrophobicContact CD1-CG 3.81Å; Y38-L79 HydrophobicContact CE1-CD2 3.79Å; Y38-L79 HydrophobicContact CE1-CG 3.63Å; Y38-D116 CarbonylContact C-O 3.5Å; Y38-D116 WeakPolarHBondContact CA-O 3.44Å
39K94.9Very high96Very high106 Ų10635.2 Ų35.246%0.46119%0.187SC..EExtended strand (participates in β ladder)trans-91.5-36.8174.7-70.8175178.1145.80111.9D75 K76 D116 T117K39-D75 CarbonylContact O-C 3.54Å; K39-K76 WeakPolarHBondContact O-CA 3.15Å; K39-K76 PolarHBondContact O-N 2.81Å; K39-D116 HydrophobicContact CB-CB 4.23Å; K39-D116 PolarHBondContact N-O 2.83Å; K39-T117 WeakPolarHBondContact CD-O 3.35Å; K39-T117 WeakPolarHBondContact CE-O 3.45Å; K39-T117 PolarHBondContact NZ-O 3.36Å
40A95.7Very high95.9Very high9 Ų933.7 Ų33.77%0.07418%0.181CC..EExtended strand (participates in β ladder)trans-162.1149.6175.500000109.5K42 A74 D116A40-K42 HydrophobicContact CB-CD 4.34Å; A40-K42 HydrophobicContact CB-CG 4.07Å; A40-A74 CarbonylContact C-O 3.55Å; A40-A74 VanDerWaalsContact CA-O 3.27Å; A40-A74 WeakPolarHBondContact CA-O 3.27Å; A40-D116 PolarHBondContact O-N 3.5Å
41I97.3Very high95.9Very high0 Ų033.7 Ų33.70%018%0.181CC..EExtended strand (participates in β ladder)trans-110.9117.2164.9-54.6176.3000105.9I30 Y38 V73 A74 L79 F86 A114 I115I30-I41 HydrophobicContact CD1-CD1 3.88Å; I30-I41 HydrophobicContact CD1-CG2 4.18Å; Y38-I41 HydrophobicContact CD2-CD1 4.12Å; Y38-I41 HydrophobicContact CD2-CG1 3.62Å; Y38-I41 HydrophobicContact CE1-CD1 4.45Å; Y38-I41 HydrophobicContact CE2-CD1 3.92Å; Y38-I41 HydrophobicContact CE2-CG1 3.77Å; Y38-I41 HydrophobicContact CG-CD1 4.45Å; Y38-I41 HydrophobicContact CG-CG1 4.17Å; I41-V73 HydrophobicContact CB-CG2 3.8Å; I41-V73 HydrophobicContact CG2-CG2 3.49Å; I41-V73 VanDerWaalsContact CG2-CG2 3.49Å; I41-V73 WeakPolarHBondContact O-CG2 3.32Å; I41-V73 PolarHBondContact O-N 2.88Å; I41-A74 HydrophobicContact CB-CB 4.12Å; I41-A74 HydrophobicContact CD1-CB 4Å; I41-A74 HydrophobicContact CG1-CB 4.15Å; I41-A74 PolarHBondContact N-O 3.21Å; I41-A74 PolarHBondContact O-N 2.87Å; I41-L79 HydrophobicContact CD1-CD1 4.27Å; I41-L79 HydrophobicContact CD1-CD2 4.26Å; I41-F86 HydrophobicContact CD1-CD2 4.29Å; I41-F86 HydrophobicContact CD1-CE1 4.28Å; I41-F86 HydrophobicContact CD1-CE2 3.68Å; I41-F86 HydrophobicContact CD1-CZ 3.68Å; I41-A114 CarbonylContact C-O 3.53Å; I41-A114 WeakPolarHBondContact CA-O 3.42Å; I41-I115 HydrophobicContact CG1-CG1 4.47Å; I41-I115 HydrophobicContact CG1-CG2 4.44Å; I41-I115 HydrophobicContact CG2-CG1 4.5Å
42K97.8Very high95.7Very high60 Ų6029.4 Ų29.426%0.26117%0.166SC..EExtended strand (participates in β ladder)trans-118.1141.6-172-64.2168.5171.6169.60109.7A40 M70 L71 A113 A114 D116A40-K42 HydrophobicContact CB-CD 4.34Å; A40-K42 HydrophobicContact CB-CG 4.07Å; K42-M70 HydrophobicContact CB-CE 4.21Å; K42-M70 HydrophobicContact CD-CE 3.33Å; K42-M70 HydrophobicContact CD-SD 4.47Å; K42-M70 VanDerWaalsContact CE-CE 3.42Å; K42-M70 HydrophobicContact CG-CE 3.66Å; K42-L71 CarbonylContact C-O 3.52Å; K42-L71 WeakPolarHBondContact CA-O 3.35Å; K42-A113 CarbonylContact O-C 3.53Å; K42-A113 VanDerWaalsContact O-CA 3.28Å; K42-A113 WeakPolarHBondContact O-CA 3.31Å; K42-A114 PolarHBondContact N-O 2.86Å; K42-A114 PolarHBondContact O-N 2.79Å; K42-D116 WeakPolarHBondContact CD-OD2 3.48Å; K42-D116 VanDerWaalsContact CE-OD2 3.26Å; K42-D116 WeakPolarHBondContact CE-OD2 3.3Å; K42-D116 IonicContact NZ-OD2 2.7Å; K42-D116 PolarHBondContact NZ-OD2 2.84Å
43V98.3Very high95.5Very high0 Ų033.3 Ų33.30%019%0.186CC..EExtended strand (participates in β ladder)trans-122.1126.6172.9-172.20000107.9V28 M70 L71 V73 F88 F90 V111 R112V28-V43 HydrophobicContact CG2-CG2 3.62Å; V43-M70 CarbonylContact O-C 3.47Å; V43-M70 WeakPolarHBondContact O-CA 3.43Å; V43-L71 PolarHBondContact N-O 3.41Å; V43-L71 PolarHBondContact O-N 3.12Å; V43-V73 HydrophobicContact CB-CG1 4.49Å; V43-V73 HydrophobicContact CG2-CG1 3.73Å; V43-V73 HydrophobicContact CG2-CG2 4.1Å; V43-F88 HydrophobicContact CB-CB 4.49Å; V43-F88 HydrophobicContact CG1-CB 4.27Å; V43-F88 HydrophobicContact CG1-CD1 4.17Å; V43-F88 HydrophobicContact CG1-CD2 4.29Å; V43-F88 HydrophobicContact CG1-CG 3.98Å; V43-F88 HydrophobicContact CG2-CB 4.49Å; V43-F90 HydrophobicContact CB-CE2 4.41Å; V43-F90 HydrophobicContact CB-CZ 4.17Å; V43-F90 HydrophobicContact CG1-CE2 3.73Å; V43-F90 HydrophobicContact CG1-CZ 3.95Å; V43-F90 WeakPolarHBondContact O-CZ 3.41Å; V43-V111 HydrophobicContact CG1-CG1 3.37Å; V43-R112 CarbonylContact C-O 3.53Å; V43-R112 WeakPolarHBondContact CA-O 3.32Å
44N98Very high95.3Very high33 Ų3338.1 Ų38.118%0.17620%0.195CC..EExtended strand (participates in β ladder)trans-119.7126.9-179.2-65.934000109.1L46 S69 M70 V111 R112N44-L46 HydrophobicContact CB-CD1 4.48Å; N44-L46 HydrophobicContact CB-CD2 4.27Å; N44-L46 HydrophobicContact CB-CG 4.18Å; N44-S69 CarbonylContact C-O 3.59Å; N44-S69 VanDerWaalsContact CA-O 3.24Å; N44-S69 WeakPolarHBondContact CA-O 3.46Å; N44-M70 WeakPolarHBondContact OD1-CG 3.41Å; N44-V111 CarbonylContact O-C 3.6Å; N44-V111 WeakPolarHBondContact O-CA 3.4Å; N44-R112 PolarHBondContact N-O 2.87Å; N44-R112 PolarHBondContact O-N 2.9Å
45C98.1Very high95.2Very high0 Ų041.9 Ų41.90%021%0.21CC..EExtended strand (participates in β ladder)trans-95.5120.5167.8-158.60000108.4L67 N68 S69 F90C45-L67 HydrophobicContact CB-CD2 4.24Å; C45-L67 WeakPolarHBondContact SG-CD2 3.29Å; C45-N68 WeakPolarHBondContact O-CA 3.29Å; C45-S69 PolarHBondContact N-O 2.8Å; C45-S69 PolarHBondContact O-N 3.33Å; C45-F90 HydrophobicContact CB-CB 4.16Å; C45-F90 HydrophobicContact CB-CD1 4.01Å; C45-F90 HydrophobicContact CB-CD2 3.66Å; C45-F90 HydrophobicContact CB-CE1 4.33Å; C45-F90 HydrophobicContact CB-CE2 4.01Å; C45-F90 HydrophobicContact CB-CG 3.67Å; C45-F90 HydrophobicContact CB-CZ 4.33Å
46L98.1Very high94.8Very high46 Ų4644 Ų4424%0.24122%0.217CC..EExtended strand (participates in β ladder)trans-125.1143.7-170.3-59.4172.3000109.9N44 L67 N68 Y109 C110 R112N44-L46 HydrophobicContact CB-CD1 4.48Å; N44-L46 HydrophobicContact CB-CD2 4.27Å; N44-L46 HydrophobicContact CB-CG 4.18Å; L46-L67 CarbonylContact C-O 3.53Å; L46-L67 WeakPolarHBondContact CA-O 3.3Å; L46-N68 HydrophobicContact CD2-CB 4.43Å; L46-N68 WeakPolarHBondContact CD2-OD1 3.42Å; L46-Y109 CarbonylContact O-C 3.57Å; L46-Y109 VanDerWaalsContact O-CA 3.3Å; L46-Y109 WeakPolarHBondContact O-CA 3.32Å; L46-C110 PolarHBondContact N-O 2.87Å; L46-C110 PolarHBondContact O-N 2.75Å; L46-R112 HydrophobicContact CD1-CB 4.34Å
47G97.8Very high94.4Very high2 Ų244.7 Ų44.72%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-154.2128.5175.700000111.7Y66 L67 A108G47-Y66 PolarHBondContact O-N 2.99Å; G47-L67 PolarHBondContact N-O 3.03Å; G47-L67 PolarHBondContact O-N 2.85Å; G47-L67 VanDerWaalsContact O-N 3.12Å; G47-A108 WeakPolarHBondContact CA-O 3.26Å
48S97.1Very high93.6Very high27 Ų2744.2 Ų44.219%0.18923%0.23CC..EExtended strand (participates in β ladder)trans-149.9156.8178.255.80000112.7E64 I107 A108S48-E64 CarbonylContact C-O 3.6Å; S48-E64 WeakPolarHBondContact CA-O 3.24Å; S48-E64 VanDerWaalsContact CB-O 3.26Å; S48-E64 WeakPolarHBondContact CB-O 3.37Å; S48-I107 WeakPolarHBondContact O-CA 3.05Å; S48-A108 PolarHBondContact N-O 2.71Å; S48-A108 VanDerWaalsContact N-O 3.08Å; S48-A108 PolarHBondContact O-N 3.23Å
49C97.3Very high93.4Very high0 Ų046.3 Ų46.30%025%0.249CC..EExtended strand (participates in β ladder)trans-100.5128.5161.1-1780000109.1E63 E64 Y66 K106 I107 L257 I258C49-E63 CarbonylContact O-C 3.46Å; C49-E63 WeakPolarHBondContact O-CA 3.38Å; C49-E64 HydrophobicContact CB-CB 4.45Å; C49-E64 PolarHBondContact N-O 3.04Å; C49-E64 PolarHBondContact O-N 2.97Å; C49-Y66 HydrophobicContact CB-CE2 3.53Å; C49-Y66 WeakPolarHBondContact CB-OH 3.24Å; C49-K106 CarbonylContact C-O 3.58Å; C49-K106 VanDerWaalsContact CA-O 3.27Å; C49-K106 WeakPolarHBondContact CA-O 3.39Å; C49-I107 HydrophobicContact CB-CG1 3.94Å; C49-L257 HydrophobicContact CB-CD1 4.22Å; C49-I258 VanDerWaalsContact SG-CD1 3.56Å
50G96Very high93.1Very high2 Ų245.7 Ų45.72%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-116.9139.6167.300000110.5G105 K106G50-G105 CarbonylContact O-C 3.55Å; G50-G105 WeakPolarHBondContact O-CA 3.42Å; G50-K106 PolarHBondContact N-O 2.92Å; G50-K106 PolarHBondContact O-N 2.96Å
51I96.1Very high92.9Very high0 Ų048.4 Ų48.40%026%0.263CS..EExtended strand (participates in β ladder)trans-130.7147173.265.6173.9000111.5S61 L62 F104 Y210 R211 T212 L257 I258I51-S61 PolarHBondContact O-N 2.93Å; I51-S61 PolarHBondContact O-OG 2.81Å; I51-L62 HydrophobicContact CD1-CB 4.38Å; I51-L62 HydrophobicContact CD1-CD2 4.41Å; I51-L62 HydrophobicContact CG1-CB 3.94Å; I51-L62 PolarHBondContact N-O 3.35Å; I51-L62 PolarHBondContact O-N 2.98Å; I51-F104 CarbonylContact C-O 3.59Å; I51-F104 VanDerWaalsContact CA-O 3.23Å; I51-F104 WeakPolarHBondContact CA-O 3.41Å; I51-Y210 HydrophobicContact CG2-CD1 4.03Å; I51-R211 VanDerWaalsContact CD1-O 3.32Å; I51-R211 WeakPolarHBondContact CD1-O 3.3Å; I51-T212 HydrophobicContact CD1-CG2 3.38Å; I51-T212 HydrophobicContact CG1-CG2 3.89Å; I51-L257 HydrophobicContact CD1-CB 4.07Å; I51-L257 HydrophobicContact CD1-CD1 4.47Å; I51-L257 HydrophobicContact CD1-CD2 4.2Å; I51-L257 HydrophobicContact CD1-CG 4.48Å; I51-L257 HydrophobicContact CG1-CD1 4.33Å; I51-L257 HydrophobicContact CG2-CB 3.97Å; I51-I258 HydrophobicContact CG2-CD1 3.92Å; I51-I258 HydrophobicContact CG2-CG1 3.64Å
52S93.7Very high92.7Very high5 Ų552.1 Ų52.14%0.03528%0.282CS..  trans-132.3152.8175.3-173.60000111.3K54 D57 F104S52-K54 PolarHBondContact OG-N 3.23Å; S52-D57 WeakPolarHBondContact OG-CB 3.47Å; S52-D57 PolarHBondContact OG-OD2 2.82Å; S52-F104 PolarHBondContact N-O 2.8Å; S52-F104 WeakPolarHBondContact O-CB 3.49Å
53N90.9Very high92.6Very high84 Ų8453.7 Ų53.745%0.44929%0.29SS..SBendtrans-78.8-11.1170.5-70.3-10.5000112.4T212 V216N53-T212 VanDerWaalsContact OD1-CG2 3.31Å; N53-T212 WeakPolarHBondContact OD1-CG2 3.38Å; N53-T212 PolarHBondContact OD1-OG1 2.86Å; N53-V216 HydrophobicContact CB-CG2 4.44Å
54K89.3Confident92.4Very high144 Ų14455 Ų5563%0.62630%0.296SS*.SBendtrans-101137.1176.9-68.7178.5-175.6173.10109.2S52 N56 D57S52-K54 PolarHBondContact OG-N 3.23Å; K54-N56 PolarHBondContact O-N 3.03Å; K54-D57 HydrophobicContact CB-CB 3.71Å; K54-D57 WeakPolarHBondContact O-CB 3.42Å
55M88.6Confident92.3Very high118 Ų11859.6 Ų59.658%0.58132%0.316SS*.THydrogen-bonded Turntrans-65.1132.5178.1-174.7172.7-179.100110.3D57 P103 F104M55-D57 PolarHBondContact O-N 3.38Å; M55-P103 CarbonylContact C-O 3.58Å; M55-P103 WeakPolarHBondContact CA-O 3.46Å; M55-P103 HydrophobicContact CE-CB 4.03Å; M55-P103 HydrophobicContact CG-CB 3.94Å; M55-F104 HydrophobicContact CB-CD1 4.41Å; M55-F104 HydrophobicContact CB-CE1 3.73Å; M55-F104 HydrophobicContact CB-CZ 3.99Å; M55-F104 HydrophobicContact CG-CZ 4.38Å
56N85.1Confident92.2Very high125 Ų12561.3 Ų61.367%0.66832%0.323SS*.THydrogen-bonded Turntrans53.231.5178.8-58.4-32.2000114.2K54 P103K54-N56 PolarHBondContact O-N 3.03Å; N56-P103 PolarHBondContact N-O 2.82Å
57D85.3Confident92.1Very high31 Ų3159.6 Ų59.617%0.16631%0.314CS..  trans-80.6131.1178.1-172.13.1000110.8S52 K54 M55 S59 W60S52-D57 WeakPolarHBondContact OG-CB 3.47Å; S52-D57 PolarHBondContact OG-OD2 2.82Å; K54-D57 HydrophobicContact CB-CB 3.71Å; K54-D57 WeakPolarHBondContact O-CB 3.42Å; M55-D57 PolarHBondContact O-N 3.38Å; D57-S59 VanDerWaalsContact C-N 3.32Å; D57-S59 VanDerWaalsContact CG-OG 3.24Å; D57-S59 WeakPolarHBondContact OD1-CB 3.18Å; D57-S59 PolarHBondContact OD1-N 2.64Å; D57-S59 PolarHBondContact OD1-OG 3.07Å; D57-S59 PolarHBondContact OD2-OG 3.48Å; D57-S59 VanDerWaalsContact OD2-OG 3.09Å; D57-W60 WeakPolarHBondContact O-CZ3 3.43Å
58S77.1Confident92Very high108 Ų10865.1 Ų65.176%0.75534%0.343SS*.SBendtrans-82-13.9174.559.30000112.7
59S88.8Confident92Very high73 Ų7366 Ų6651%0.5135%0.349SS..SBendtrans-90.9101.8175.367.60000110.3D57 S61D57-S59 VanDerWaalsContact C-N 3.32Å; D57-S59 VanDerWaalsContact CG-OG 3.24Å; D57-S59 WeakPolarHBondContact OD1-CB 3.18Å; D57-S59 PolarHBondContact OD1-N 2.64Å; D57-S59 PolarHBondContact OD1-OG 3.07Å; D57-S59 PolarHBondContact OD2-OG 3.48Å; D57-S59 VanDerWaalsContact OD2-OG 3.09Å; S59-S61 PolarHBondContact O-N 3.27Å
60W89.4Confident92Very high92 Ų9271 Ų7135%0.34837%0.374SS..  trans-71.5127.7-178.1-53.7123.7000111.1D57 L62 E63 K106D57-W60 WeakPolarHBondContact O-CZ3 3.43Å; W60-L62 VanDerWaalsContact C-N 3.33Å; W60-E63 HydrophobicContact CB-CG 3.67Å; W60-E63 HydrophobicContact CG-CG 4.04Å; W60-K106 HydrophobicContact CH2-CB 4.1Å; W60-K106 HydrophobicContact CZ2-CB 4.25Å
61S90Very high92Very high67 Ų6774 Ų7447%0.46939%0.389SS..SBendtrans-73.8-28.3174.467.70000112.5I51 S59I51-S61 PolarHBondContact O-N 2.93Å; I51-S61 PolarHBondContact O-OG 2.81Å; S59-S61 PolarHBondContact O-N 3.27Å
62L94.5Very high92Very high77 Ų7776.3 Ų76.340%0.40341%0.406SS..EExtended strand (participates in β ladder)trans-148.5136.6177.5-176.158.7000108.8I51 W60 L257I51-L62 HydrophobicContact CD1-CB 4.38Å; I51-L62 HydrophobicContact CD1-CD2 4.41Å; I51-L62 HydrophobicContact CG1-CB 3.94Å; I51-L62 PolarHBondContact N-O 3.35Å; I51-L62 PolarHBondContact O-N 2.98Å; W60-L62 VanDerWaalsContact C-N 3.33Å; L62-L257 HydrophobicContact CD2-CD1 4.49Å; L62-L257 HydrophobicContact CD2-CD2 3.44Å; L62-L257 VanDerWaalsContact CD2-CD2 3.44Å; L62-L257 HydrophobicContact CG-CD1 4.13Å; L62-L257 HydrophobicContact CG-CD2 3.96Å
63E94.8Very high92.2Very high93 Ų9377.6 Ų77.644%0.43541%0.413SS..EExtended strand (participates in β ladder)trans-126.5147.6176.2-79.1-172.3133.800111.4C49 W60C49-E63 CarbonylContact O-C 3.46Å; C49-E63 WeakPolarHBondContact O-CA 3.38Å; W60-E63 HydrophobicContact CB-CG 3.67Å; W60-E63 HydrophobicContact CG-CG 4.04Å
64E95.4Very high92.4Very high27 Ų2774.3 Ų74.313%0.12640%0.398CS..EExtended strand (participates in β ladder)trans-128.7125170.7-177.2171.5-137.400108.3S48 C49 Y66 R256 L257S48-E64 CarbonylContact C-O 3.6Å; S48-E64 WeakPolarHBondContact CA-O 3.24Å; S48-E64 VanDerWaalsContact CB-O 3.26Å; S48-E64 WeakPolarHBondContact CB-O 3.37Å; C49-E64 HydrophobicContact CB-CB 4.45Å; C49-E64 PolarHBondContact N-O 3.04Å; C49-E64 PolarHBondContact O-N 2.97Å; E64-Y66 HydrophobicContact CB-CE1 4.27Å; E64-Y66 VanDerWaalsContact CD-CE1 3.4Å; E64-Y66 HydrophobicContact CG-CD1 4.21Å; E64-Y66 HydrophobicContact CG-CE1 3.47Å; E64-Y66 VanDerWaalsContact CG-CE1 3.47Å; E64-Y66 WeakPolarHBondContact OE2-CE1 2.99Å; E64-Y66 PolarHBondContact OE2-OH 3.02Å; E64-R256 IonicContact OE1-CZ 3.2Å; E64-R256 IonicContact OE1-NE 2.79Å; E64-R256 PolarHBondContact OE1-NE 2.99Å; E64-R256 IonicContact OE1-NH2 2.74Å; E64-R256 PolarHBondContact OE1-NH2 2.47Å; E64-R256 PolarHBondContact OE2-N 3.06Å; E64-L257 HydrophobicContact CB-CD1 3.72Å; E64-L257 HydrophobicContact CB-CG 4.16Å
65H95.7Very high92.6Very high130 Ų13073 Ų7360%0.60240%0.398SS*.EExtended strand (participates in β ladder)trans-95.6129178.2-63.4-72.8000110.6
66Y95.8Very high92.9Very high37 Ų3776.2 Ų76.215%0.14541%0.408CS..EExtended strand (participates in β ladder)trans-105.2-26.7178.7-54.4-56.4000112.8G47 C49 E64 P97 I107 G254 C255G47-Y66 PolarHBondContact O-N 2.99Å; C49-Y66 HydrophobicContact CB-CE2 3.53Å; C49-Y66 WeakPolarHBondContact CB-OH 3.24Å; E64-Y66 HydrophobicContact CB-CE1 4.27Å; E64-Y66 VanDerWaalsContact CD-CE1 3.4Å; E64-Y66 HydrophobicContact CG-CD1 4.21Å; E64-Y66 HydrophobicContact CG-CE1 3.47Å; E64-Y66 VanDerWaalsContact CG-CE1 3.47Å; E64-Y66 WeakPolarHBondContact OE2-CE1 2.99Å; E64-Y66 PolarHBondContact OE2-OH 3.02Å; Y66-P97 HydrophobicContact CD1-CG 3.88Å; Y66-P97 HydrophobicContact CD2-CG 3.86Å; Y66-P97 HydrophobicContact CE1-CG 3.82Å; Y66-P97 HydrophobicContact CE2-CB 4.4Å; Y66-P97 HydrophobicContact CE2-CG 3.78Å; Y66-P97 HydrophobicContact CG-CG 3.92Å; Y66-I107 HydrophobicContact CD2-CG2 4.33Å; Y66-I107 HydrophobicContact CE2-CG2 4.04Å; Y66-G254 WeakPolarHBondContact CE1-O 3.42Å; Y66-C255 PolarHBondContact OH-SG 2.9Å
67L95.1Very high93.3Very high9 Ų971.3 Ų71.35%0.04739%0.387CS..EExtended strand (participates in β ladder)trans-145.5127.4-175-179.760.2000109.9C45 L46 G47 L92 P93 I96 F130C45-L67 HydrophobicContact CB-CD2 4.24Å; C45-L67 WeakPolarHBondContact SG-CD2 3.29Å; L46-L67 CarbonylContact C-O 3.53Å; L46-L67 WeakPolarHBondContact CA-O 3.3Å; G47-L67 PolarHBondContact N-O 3.03Å; G47-L67 PolarHBondContact O-N 2.85Å; G47-L67 VanDerWaalsContact O-N 3.12Å; L67-L92 HydrophobicContact CD2-CD2 3.68Å; L67-P93 HydrophobicContact CD1-CG 4.16Å; L67-I96 HydrophobicContact CD2-CD1 4.44Å; L67-F130 HydrophobicContact CD2-CZ 4.35Å
68N96.5Very high93.8Very high119 Ų11974.9 Ų74.964%0.63641%0.405SS*.EExtended strand (participates in β ladder)trans-151.485.6170.5-174.97.4000108.7C45 L46C45-N68 WeakPolarHBondContact O-CA 3.29Å; L46-N68 HydrophobicContact CD2-CB 4.43Å; L46-N68 WeakPolarHBondContact CD2-OD1 3.42Å
69S96.8Very high94.6Very high44 Ų4470 Ų7031%0.30837%0.371SS..EExtended strand (participates in β ladder)trans-114.3136.7178.6-58.20000109.2N44 C45N44-S69 CarbonylContact C-O 3.59Å; N44-S69 VanDerWaalsContact CA-O 3.24Å; N44-S69 WeakPolarHBondContact CA-O 3.46Å; C45-S69 PolarHBondContact N-O 2.8Å; C45-S69 PolarHBondContact O-N 3.33Å
70M96.8Very high94.9Very high106 Ų10669.1 Ų69.152%0.52237%0.367SS..EExtended strand (participates in β ladder)trans-128.2137.4-176.6173.9173.6154.800110.5K42 V43 N44K42-M70 HydrophobicContact CB-CE 4.21Å; K42-M70 HydrophobicContact CD-CE 3.33Å; K42-M70 HydrophobicContact CD-SD 4.47Å; K42-M70 VanDerWaalsContact CE-CE 3.42Å; K42-M70 HydrophobicContact CG-CE 3.66Å; V43-M70 CarbonylContact O-C 3.47Å; V43-M70 WeakPolarHBondContact O-CA 3.43Å; N44-M70 WeakPolarHBondContact OD1-CG 3.41Å
71L96.6Very high95.2Very high64 Ų6468.4 Ų68.434%0.33538%0.375SS..EExtended strand (participates in β ladder)trans-128.2125.3177.5179.864.8000109.3K42 V43 V73 F88 F90K42-L71 CarbonylContact C-O 3.52Å; K42-L71 WeakPolarHBondContact CA-O 3.35Å; V43-L71 PolarHBondContact N-O 3.41Å; V43-L71 PolarHBondContact O-N 3.12Å; L71-V73 HydrophobicContact CD2-CG1 3.86Å; L71-V73 HydrophobicContact CG-CG1 3.98Å; L71-F88 HydrophobicContact CD2-CB 3.93Å; L71-F90 HydrophobicContact CB-CE1 3.82Å; L71-F90 HydrophobicContact CB-CZ 3.77Å
72S96.6Very high95.5Very high50 Ų5066.9 Ų66.935%0.3537%0.369SS..EExtended strand (participates in β ladder)trans-82.4113.8165.6-164.50000107.6D75S72-D75 PolarHBondContact OG-OD1 3.08Å
73V96.7Very high95.6Very high32 Ų3266.9 Ų66.919%0.19437%0.368CS..EExtended strand (participates in β ladder)trans-92.6-16.4179.5-62.80000112.4I41 V43 L71 F86 F88I41-V73 HydrophobicContact CB-CG2 3.8Å; I41-V73 HydrophobicContact CG2-CG2 3.49Å; I41-V73 VanDerWaalsContact CG2-CG2 3.49Å; I41-V73 WeakPolarHBondContact O-CG2 3.32Å; I41-V73 PolarHBondContact O-N 2.88Å; V43-V73 HydrophobicContact CB-CG1 4.49Å; V43-V73 HydrophobicContact CG2-CG1 3.73Å; V43-V73 HydrophobicContact CG2-CG2 4.1Å; L71-V73 HydrophobicContact CD2-CG1 3.86Å; L71-V73 HydrophobicContact CG-CG1 3.98Å; V73-F86 HydrophobicContact CB-CB 3.91Å; V73-F86 HydrophobicContact CB-CD1 4.28Å; V73-F86 HydrophobicContact CB-CG 4.4Å; V73-F86 HydrophobicContact CG2-CB 3.65Å; V73-F86 HydrophobicContact CG2-CD1 4.08Å; V73-F86 HydrophobicContact CG2-CG 3.92Å; V73-F88 HydrophobicContact CG1-CB 4.49Å
74A95.4Very high95.7Very high15 Ų1564.6 Ų64.612%0.12436%0.357CS..EExtended strand (participates in β ladder)trans-157135.4169.800000110.1Y38 A40 I41 F86Y38-A74 HydrophobicContact CE2-CB 3.75Å; A40-A74 CarbonylContact C-O 3.55Å; A40-A74 VanDerWaalsContact CA-O 3.27Å; A40-A74 WeakPolarHBondContact CA-O 3.27Å; I41-A74 HydrophobicContact CB-CB 4.12Å; I41-A74 HydrophobicContact CD1-CB 4Å; I41-A74 HydrophobicContact CG1-CB 4.15Å; I41-A74 PolarHBondContact N-O 3.21Å; I41-A74 PolarHBondContact O-N 2.87Å; A74-F86 HydrophobicContact CB-CD1 4.17Å; A74-F86 HydrophobicContact CB-CE1 3.67Å; A74-F86 HydrophobicContact CB-CZ 4.32Å
75D94.4Very high95.8Very high117 Ų11770.2 Ų70.263%0.62638%0.377SS*.EExtended strand (participates in β ladder)trans-91.6-177.7173.2-59.1-40.3000111.4Y38 K39 S72 G77Y38-D75 WeakPolarHBondContact CE2-O 3.42Å; Y38-D75 PolarHBondContact OH-O 3.17Å; K39-D75 CarbonylContact O-C 3.54Å; S72-D75 PolarHBondContact OG-OD1 3.08Å; D75-G77 PolarHBondContact O-N 2.9Å
76K94.7Very high95.9Very high184 Ų18465.4 Ų65.480%0.835%0.354SS*.EExtended strand (participates in β ladder)trans-41.1122.4-171.9-177.1-173.1175.3-171.50112.8Y38 K39Y38-K76 WeakPolarHBondContact O-CA 3.35Å; K39-K76 WeakPolarHBondContact O-CA 3.15Å; K39-K76 PolarHBondContact O-N 2.81Å
77G93.9Very high96Very high22 Ų2268.3 Ų68.323%0.22738%0.378CS..EExtended strand (participates in β ladder)trans-168.2-168.1-175.800000114.2Y38 D75Y38-G77 WeakPolarHBondContact CD1-O 3.45Å; Y38-G77 PolarHBondContact N-O 2.82Å; Y38-G77 PolarHBondContact O-N 2.94Å; D75-G77 PolarHBondContact O-N 2.9Å
78I94.6Very high96.2Very high107 Ų10768.3 Ų68.355%0.54938%0.377SS..EExtended strand (participates in β ladder)trans-131.3120.9176.9-51.7-177.1000107.6P35 L36 Q37 A80P35-I78 HydrophobicContact CB-CG2 3.92Å; L36-I78 CarbonylContact O-C 3.47Å; L36-I78 WeakPolarHBondContact O-CA 3.33Å; Q37-I78 HydrophobicContact CG-CD1 4.39Å; Q37-I78 HydrophobicContact CG-CG1 4.17Å; I78-A80 PolarHBondContact O-N 3.15Å
79L94.5Very high96.2Very high5 Ų568.4 Ų68.43%0.02637%0.374CS..EExtended strand (participates in β ladder)trans-77.6118.6169.4-65178.2000108.4I30 T32 P35 L36 Y38 I41 H84 F86I30-L79 HydrophobicContact CB-CD1 4.44Å; I30-L79 HydrophobicContact CD1-CD1 4.31Å; I30-L79 HydrophobicContact CG2-CD1 3.65Å; T32-L79 HydrophobicContact CG2-CB 4.45Å; T32-L79 HydrophobicContact CG2-CD1 4.3Å; P35-L79 CarbonylContact C-O 3.54Å; P35-L79 VanDerWaalsContact CA-O 3.24Å; P35-L79 WeakPolarHBondContact CA-O 3.37Å; L36-L79 HydrophobicContact CB-CB 4.34Å; L36-L79 HydrophobicContact CD2-CD1 4.42Å; L36-L79 PolarHBondContact N-O 3.38Å; L36-L79 PolarHBondContact O-N 2.98Å; Y38-L79 HydrophobicContact CD1-CD2 4.43Å; Y38-L79 HydrophobicContact CD1-CG 3.81Å; Y38-L79 HydrophobicContact CE1-CD2 3.79Å; Y38-L79 HydrophobicContact CE1-CG 3.63Å; I41-L79 HydrophobicContact CD1-CD1 4.27Å; I41-L79 HydrophobicContact CD1-CD2 4.26Å; L79-H84 HydrophobicContact CD2-CB 4.25Å; L79-F86 HydrophobicContact CD2-CE2 4.2Å; L79-F86 HydrophobicContact CD2-CZ 3.88Å
80A95.3Very high96.3Very high54 Ų5467 Ų6745%0.44636%0.362SS..PPolyproline II helixtrans-62.5158.3170.700000110.8T32 I78 G82 H84T32-A80 PolarHBondContact OG1-O 3.16Å; I78-A80 PolarHBondContact O-N 3.15Å; A80-G82 PolarHBondContact O-N 2.84Å; A80-H84 PolarHBondContact O-NE2 3.11Å
81P95.9Very high96.3Very high78 Ų7866.3 Ų66.351%0.50636%0.364SS..SBendtrans-57.5137.8171.1-16.929.3000110.5T32 P35T32-P81 WeakPolarHBondContact O-CA 3.31Å; P35-P81 HydrophobicContact CG-CG 4.22Å
82G95.3Very high96.3Very high34 Ų3463.4 Ų63.435%0.35135%0.348SS..EExtended strand (participates in β ladder)trans126.4-160.2-177.600000113R31 T32 A80R31-G82 VanDerWaalsContact CA-O 3.3Å; R31-G82 WeakPolarHBondContact CA-O 3.44Å; T32-G82 PolarHBondContact N-O 3.01Å; T32-G82 PolarHBondContact O-N 2.95Å; A80-G82 PolarHBondContact O-N 2.84Å
83E97Very high96.3Very high78 Ų7863.3 Ų63.336%0.36435%0.347SS..EExtended strand (participates in β ladder)trans-104.2134.9-177-175.8174.2134.400111.5K29 I30 R31 R85K29-E83 VanDerWaalsContact CE-OE1 3.28Å; K29-E83 WeakPolarHBondContact CE-OE1 3.37Å; K29-E83 WeakPolarHBondContact CE-OE2 3.34Å; K29-E83 HydrophobicContact CG-CG 4.26Å; K29-E83 IonicContact NZ-OE2 3.56Å; I30-E83 CarbonylContact O-C 3.59Å; I30-E83 WeakPolarHBondContact O-CA 3.34Å; R31-E83 IonicContact CZ-OE2 3.78Å; R31-E83 IonicContact NE-OE2 3.74Å; R31-E83 IonicContact NH2-OE2 2.68Å; R31-E83 PolarHBondContact NH2-OE2 3.32Å; E83-R85 IonicContact OE1-CZ 2.72Å; E83-R85 IonicContact OE1-NH1 2.89Å; E83-R85 PolarHBondContact OE1-NH1 2.89Å
84H97.2Very high96.2Very high45 Ų4565.8 Ų65.821%0.20837%0.37CS..EExtended strand (participates in β ladder)trans-128.7141.9179.2-55.5-87.4000109.6I30 L79 A80 F86I30-H84 HydrophobicContact CB-CB 4.47Å; I30-H84 PolarHBondContact N-O 3.23Å; I30-H84 PolarHBondContact O-N 3.09Å; L79-H84 HydrophobicContact CD2-CB 4.25Å; A80-H84 PolarHBondContact O-NE2 3.11Å; H84-F86 HydrophobicContact CB-CE2 3.7Å; H84-F86 HydrophobicContact CB-CZ 4.19Å
85R97.8Very high96Very high144 Ų14468.4 Ų68.454%0.54339%0.392SS..EExtended strand (participates in β ladder)trans-131124.9-175.7-60.5-176.990103.3-4.1109.6T27 V28 E83T27-R85 HydrophobicContact CG2-CB 3.78Å; T27-R85 HydrophobicContact CG2-CG 4.37Å; V28-R85 WeakPolarHBondContact O-CA 3.45Å; E83-R85 IonicContact OE1-CZ 2.72Å; E83-R85 IonicContact OE1-NH1 2.89Å; E83-R85 PolarHBondContact OE1-NH1 2.89Å
86F97.9Very high96.1Very high30 Ų3063 Ų6313%0.13236%0.363CS..EExtended strand (participates in β ladder)trans-120.5106.5-179.2-61.6-84.2000109.6T27 V28 I30 I41 V73 A74 L79 H84T27-F86 WeakPolarHBondContact CA-O 3.31Å; V28-F86 HydrophobicContact CB-CB 4.28Å; V28-F86 PolarHBondContact N-O 2.85Å; V28-F86 PolarHBondContact O-N 2.86Å; I30-F86 HydrophobicContact CD1-CD2 3.96Å; I30-F86 HydrophobicContact CD1-CE2 3.85Å; I41-F86 HydrophobicContact CD1-CD2 4.29Å; I41-F86 HydrophobicContact CD1-CE1 4.28Å; I41-F86 HydrophobicContact CD1-CE2 3.68Å; I41-F86 HydrophobicContact CD1-CZ 3.68Å; V73-F86 HydrophobicContact CB-CB 3.91Å; V73-F86 HydrophobicContact CB-CD1 4.28Å; V73-F86 HydrophobicContact CB-CG 4.4Å; V73-F86 HydrophobicContact CG2-CB 3.65Å; V73-F86 HydrophobicContact CG2-CD1 4.08Å; V73-F86 HydrophobicContact CG2-CG 3.92Å; A74-F86 HydrophobicContact CB-CD1 4.17Å; A74-F86 HydrophobicContact CB-CE1 3.67Å; A74-F86 HydrophobicContact CB-CZ 4.32Å; L79-F86 HydrophobicContact CD2-CE2 4.2Å; L79-F86 HydrophobicContact CD2-CZ 3.88Å; H84-F86 HydrophobicContact CB-CE2 3.7Å; H84-F86 HydrophobicContact CB-CZ 4.19Å
87P98Very high96.2Very high98 Ų9854.2 Ų54.264%0.63633%0.325SS*.EExtended strand (participates in β ladder)trans-70.5150177.630-33.8000110.9G26G26-P87 WeakPolarHBondContact O-CA 3.45Å
88F97.9Very high96.4Very high8 Ų853.3 Ų53.34%0.03532%0.315CS..EExtended strand (participates in β ladder)trans-141.1156.7173.365.2-94.4000110.8I9 F11 S25 G26 T27 V28 V43 L71 V73 F90 V111I9-F88 HydrophobicContact CG2-CE1 3.8Å; I9-F88 HydrophobicContact CG2-CZ 3.72Å; F11-F88 HydrophobicContact CD1-CZ 4.14Å; F11-F88 HydrophobicContact CE1-CZ 4.21Å; S25-F88 VanDerWaalsContact CA-O 3.29Å; S25-F88 WeakPolarHBondContact CA-O 3.42Å; G26-F88 PolarHBondContact N-O 2.8Å; G26-F88 PolarHBondContact O-N 3.12Å; T27-F88 VanDerWaalsContact N-CE1 3.34Å; V28-F88 HydrophobicContact CG2-CD1 3.92Å; V28-F88 HydrophobicContact CG2-CE1 4.07Å; V43-F88 HydrophobicContact CB-CB 4.49Å; V43-F88 HydrophobicContact CG1-CB 4.27Å; V43-F88 HydrophobicContact CG1-CD1 4.17Å; V43-F88 HydrophobicContact CG1-CD2 4.29Å; V43-F88 HydrophobicContact CG1-CG 3.98Å; V43-F88 HydrophobicContact CG2-CB 4.49Å; L71-F88 HydrophobicContact CD2-CB 3.93Å; V73-F88 HydrophobicContact CG1-CB 4.49Å; F88-F90 HydrophobicContact CB-CE2 4.32Å; F88-F90 AromaticContact CD2-CD2 3.92Å; F88-F90 HydrophobicContact CD2-CD2 3.92Å; F88-F90 AromaticContact CD2-CE2 3.7Å; F88-F90 HydrophobicContact CD2-CE2 3.7Å; F88-F90 HydrophobicContact CE2-CE2 4.44Å; F88-F90 HydrophobicContact CG-CE2 4.3Å; F88-V111 HydrophobicContact CE2-CG1 3.97Å; F88-V111 HydrophobicContact CE2-CG2 4.23Å; F88-V111 HydrophobicContact CZ-CG1 3.96Å
89Q97.9Very high96.6Very high121 Ų12149.4 Ų49.457%0.56530%0.297SS*.EExtended strand (participates in β ladder)trans-147.7137.8171.9-174.6174.911.500110.2S23 I24S23-Q89 PolarHBondContact OG-NE2 2.64Å; I24-Q89 CarbonylContact O-C 3.48Å; I24-Q89 VanDerWaalsContact O-CA 3.28Å; I24-Q89 WeakPolarHBondContact O-CA 3.41Å
90F97.8Very high96.7Very high14 Ų1450.1 Ų50.16%0.06130%0.3CS..EExtended strand (participates in β ladder)trans-131.6153.6170.1-55.8-84.1000109.8S23 I24 V43 C45 L71 F88S23-F90 CarbonylContact C-O 3.57Å; S23-F90 VanDerWaalsContact CA-O 3.25Å; S23-F90 WeakPolarHBondContact CA-O 3.31Å; I24-F90 HydrophobicContact CG2-CB 3.7Å; I24-F90 HydrophobicContact CG2-CD2 4.31Å; I24-F90 PolarHBondContact N-O 3.42Å; I24-F90 PolarHBondContact O-N 2.92Å; V43-F90 HydrophobicContact CB-CE2 4.41Å; V43-F90 HydrophobicContact CB-CZ 4.17Å; V43-F90 HydrophobicContact CG1-CE2 3.73Å; V43-F90 HydrophobicContact CG1-CZ 3.95Å; V43-F90 WeakPolarHBondContact O-CZ 3.41Å; C45-F90 HydrophobicContact CB-CB 4.16Å; C45-F90 HydrophobicContact CB-CD1 4.01Å; C45-F90 HydrophobicContact CB-CD2 3.66Å; C45-F90 HydrophobicContact CB-CE1 4.33Å; C45-F90 HydrophobicContact CB-CE2 4.01Å; C45-F90 HydrophobicContact CB-CG 3.67Å; C45-F90 HydrophobicContact CB-CZ 4.33Å; L71-F90 HydrophobicContact CB-CE1 3.82Å; L71-F90 HydrophobicContact CB-CZ 3.77Å; F88-F90 HydrophobicContact CB-CE2 4.32Å; F88-F90 AromaticContact CD2-CD2 3.92Å; F88-F90 HydrophobicContact CD2-CD2 3.92Å; F88-F90 AromaticContact CD2-CE2 3.7Å; F88-F90 HydrophobicContact CD2-CE2 3.7Å; F88-F90 HydrophobicContact CE2-CE2 4.44Å; F88-F90 HydrophobicContact CG-CE2 4.3Å
91V97.2Very high96.6Very high92 Ų9253.5 Ų53.556%0.55831%0.307SS*.EExtended strand (participates in β ladder)trans-105.8129.2173.2-1770000108.5
92L97.4Very high96.5Very high3 Ų350.7 Ų50.72%0.01629%0.292CS..  trans-75.7138.5177.6-61.6-177.5000110.5Y18 G21 E22 I24 L67 I96 F130 V132Y18-L92 HydrophobicContact CG-CD1 4.27Å; G21-L92 WeakPolarHBondContact CA-O 3.29Å; G21-L92 PolarHBondContact N-O 3.13Å; E22-L92 WeakPolarHBondContact O-CB 3.1Å; E22-L92 PolarHBondContact O-N 2.78Å; I24-L92 HydrophobicContact CG2-CD2 4.27Å; L67-L92 HydrophobicContact CD2-CD2 3.68Å; L92-I96 HydrophobicContact CB-CD1 4.16Å; L92-I96 HydrophobicContact CD1-CD1 4.32Å; L92-I96 HydrophobicContact CD2-CD1 3.95Å; L92-I96 HydrophobicContact CG-CD1 4.37Å; L92-F130 HydrophobicContact CD1-CE2 4.28Å; L92-F130 HydrophobicContact CD2-CE2 4.01Å; L92-F130 HydrophobicContact CD2-CZ 4.02Å; L92-V132 HydrophobicContact CD1-CG2 4.24Å
93P96.1Very high96.5Very high49 Ų4949.9 Ų49.932%0.31828%0.281SS..  trans-56.7148.7174-26.334.2000112.8L67 A95 I96L67-P93 HydrophobicContact CD1-CG 4.16Å; P93-A95 VanDerWaalsContact C-N 3.29Å; P93-A95 PolarHBondContact O-N 3.19Å; P93-I96 HydrophobicContact CB-CB 4.47Å; P93-I96 WeakPolarHBondContact O-CB 3.18Å; P93-I96 WeakPolarHBondContact O-CG2 3.34Å; P93-I96 PolarHBondContact O-N 3.47Å
94A93.4Very high96.4Very high83 Ų8347.8 Ų47.869%0.68627%0.27SS*.THydrogen-bonded Turntrans-67.9-27.8177.600000113.4P20 I96P20-A94 WeakPolarHBondContact CB-O 3.19Å; A94-I96 VanDerWaalsContact C-N 3.33Å
95A92.3Very high96.3Very high71 Ų7145.7 Ų45.759%0.58726%0.261SS*.THydrogen-bonded Turntrans-95.922.2177.700000112.7P93 P97P93-A95 VanDerWaalsContact C-N 3.29Å; P93-A95 PolarHBondContact O-N 3.19Å; A95-P97 WeakPolarHBondContact O-CD 3.28Å
96I96.4Very high96.2Very high2 Ų242 Ų421%0.0125%0.249CC..PPolyproline II helixtrans-67.2129.3-179.3-166.3167.9000110.3P20 L67 L92 P93 A94 Y109 V132 N134P20-I96 HydrophobicContact CB-CG2 3.94Å; P20-I96 HydrophobicContact CG-CG2 4.09Å; L67-I96 HydrophobicContact CD2-CD1 4.44Å; L92-I96 HydrophobicContact CB-CD1 4.16Å; L92-I96 HydrophobicContact CD1-CD1 4.32Å; L92-I96 HydrophobicContact CD2-CD1 3.95Å; L92-I96 HydrophobicContact CG-CD1 4.37Å; P93-I96 HydrophobicContact CB-CB 4.47Å; P93-I96 WeakPolarHBondContact O-CB 3.18Å; P93-I96 WeakPolarHBondContact O-CG2 3.34Å; P93-I96 PolarHBondContact O-N 3.47Å; A94-I96 VanDerWaalsContact C-N 3.33Å; I96-Y109 HydrophobicContact CD1-CD1 3.99Å; I96-Y109 HydrophobicContact CD1-CE1 3.55Å; I96-Y109 HydrophobicContact CG1-CE1 3.63Å; I96-V132 HydrophobicContact CB-CG1 4.46Å; I96-V132 HydrophobicContact CD1-CG1 4.28Å; I96-V132 HydrophobicContact CD1-CG2 3.76Å; I96-V132 HydrophobicContact CG1-CG1 4.11Å; I96-V132 HydrophobicContact CG1-CG2 4.32Å; I96-V132 HydrophobicContact CG2-CG1 3.68Å; I96-N134 PolarHBondContact O-ND2 2.85Å
97P97.2Very high96.2Very high0 Ų040.7 Ų40.70%024%0.243CC..PPolyproline II helixtrans-70.4157.9178.6-25.136.5000114.1Y66 A95 I107 Y109 V132 S253 C255Y66-P97 HydrophobicContact CD1-CG 3.88Å; Y66-P97 HydrophobicContact CD2-CG 3.86Å; Y66-P97 HydrophobicContact CE1-CG 3.82Å; Y66-P97 HydrophobicContact CE2-CB 4.4Å; Y66-P97 HydrophobicContact CE2-CG 3.78Å; Y66-P97 HydrophobicContact CG-CG 3.92Å; A95-P97 WeakPolarHBondContact O-CD 3.28Å; P97-I107 HydrophobicContact CB-CD1 4.24Å; P97-I107 HydrophobicContact CB-CG2 4.37Å; P97-Y109 WeakPolarHBondContact CD-OH 3.3Å; P97-Y109 PolarHBondContact O-OH 3.08Å; P97-V132 VanDerWaalsContact O-CG1 3.23Å; P97-V132 WeakPolarHBondContact O-CG1 3.47Å; P97-S253 WeakPolarHBondContact CA-O 3.2Å; P97-S253 WeakPolarHBondContact CB-O 3.44Å; P97-C255 HydrophobicContact CB-CB 4.09Å; P97-C255 HydrophobicContact CG-CB 4.18Å
98T97.6Very high96.1Very high4 Ų438 Ų383%0.02523%0.229CC..PPolyproline II helixtrans-66.6138.5169-63.30000110.3I107 V132 L133 N134 Q249T98-I107 WeakPolarHBondContact O-CD1 3.2Å; T98-V132 CarbonylContact C-O 3.52Å; T98-V132 WeakPolarHBondContact CA-O 3.35Å; T98-L133 HydrophobicContact CG2-CD1 3.96Å; T98-N134 WeakPolarHBondContact OG1-CA 3.43Å; T98-N134 WeakPolarHBondContact OG1-CB 3.06Å; T98-N134 PolarHBondContact OG1-N 2.92Å; T98-N134 PolarHBondContact OG1-O 2.77Å; T98-Q249 PolarHBondContact OG1-NE2 3.44Å
99S98Very high96.1Very high24 Ų2437.8 Ų37.817%0.16823%0.228CC..PPolyproline II helixtrans-59.7137171.6-66.30000111.2Y109 Y131 V132S99-Y109 VanDerWaalsContact OG-CD2 3.28Å; S99-Y109 WeakPolarHBondContact OG-CD2 3.34Å; S99-Y109 WeakPolarHBondContact OG-CE2 3.2Å; S99-Y131 WeakPolarHBondContact OG-CA 3.25Å; S99-V132 PolarHBondContact N-O 3.35Å; S99-V132 PolarHBondContact OG-N 3.44Å
100F96.8Very high96.1Very high20 Ų2032.7 Ų32.79%0.08821%0.205CC..EExtended strand (participates in β ladder)trans-145.1145.5-177.7175.3-97.4000109.8K106 I107 V208 Y210 L252 I258 I260F100-K106 CarbonylContact O-C 3.52Å; F100-K106 VanDerWaalsContact O-CA 3.31Å; F100-K106 WeakPolarHBondContact O-CA 3.37Å; F100-K106 WeakPolarHBondContact O-CG 3.42Å; F100-I107 HydrophobicContact CB-CB 4.3Å; F100-I107 HydrophobicContact CB-CD1 4.09Å; F100-I107 HydrophobicContact CB-CG1 4.16Å; F100-I107 PolarHBondContact N-O 2.76Å; F100-I107 PolarHBondContact O-N 3.32Å; F100-V208 HydrophobicContact CE1-CG1 4.17Å; F100-V208 HydrophobicContact CZ-CG1 3.8Å; F100-V208 HydrophobicContact CZ-CG2 4.27Å; F100-Y210 HydrophobicContact CE1-CE1 4.17Å; F100-L252 HydrophobicContact CB-CD1 4.02Å; F100-L252 HydrophobicContact CD2-CD1 4.45Å; F100-L252 HydrophobicContact CG-CD1 4.08Å; F100-I258 HydrophobicContact CD1-CD1 3.7Å; F100-I258 HydrophobicContact CD1-CG2 3.87Å; F100-I258 HydrophobicContact CE1-CD1 4.09Å; F100-I258 HydrophobicContact CE1-CG2 3.77Å; F100-I258 HydrophobicContact CZ-CG2 4.39Å; F100-I260 HydrophobicContact CD2-CD1 3.58Å; F100-I260 HydrophobicContact CE2-CD1 3.47Å; F100-I260 VanDerWaalsContact CE2-CD1 3.47Å; F100-I260 HydrophobicContact CE2-CG1 4.2Å; F100-I260 HydrophobicContact CZ-CD1 4.38Å
101E94.6Very high96.2Very high126 Ų12632 Ų3259%0.58920%0.202SC*.EExtended strand (participates in β ladder)trans-139.6122.4174.3-177.3152.7-153.900109K106E101-K106 HydrophobicContact CB-CG 4.38Å; E101-K106 HydrophobicContact CG-CD 4.39Å; E101-K106 HydrophobicContact CG-CG 4.46Å; E101-K106 IonicContact OE1-NZ 3.97Å; E101-K106 PolarHBondContact OE1-NZ 3.3Å; E101-K106 WeakPolarHBondContact OE2-CE 3.45Å; E101-K106 IonicContact OE2-NZ 3.91Å; E101-K106 PolarHBondContact OE2-NZ 2.88Å
102G93.7Very high96.2Very high18 Ų1831.6 Ų31.619%0.18619%0.191CC..EExtended strand (participates in β ladder)trans-145.1170.8178.300000111.3F104 G105 Y210G102-F104 PolarHBondContact O-N 3Å; G102-G105 PolarHBondContact N-O 2.98Å; G102-G105 PolarHBondContact O-N 2.74Å; G102-Y210 WeakPolarHBondContact CA-OH 3.46Å
103P93.8Very high96.3Very high18 Ų1831.5 Ų31.512%0.11719%0.19CC..THydrogen-bonded Turntrans-61.4-21.3-172.120-32.6000114.7M55 N56 Y210 D218M55-P103 CarbonylContact C-O 3.58Å; M55-P103 WeakPolarHBondContact CA-O 3.46Å; M55-P103 HydrophobicContact CE-CB 4.03Å; M55-P103 HydrophobicContact CG-CB 3.94Å; N56-P103 PolarHBondContact N-O 2.82Å; P103-Y210 VanDerWaalsContact CD-OH 3.32Å; P103-Y210 WeakPolarHBondContact CD-OH 3.39Å; P103-D218 HydrophobicContact CG-CB 4.49Å; P103-D218 VanDerWaalsContact CG-OD2 3.31Å; P103-D218 WeakPolarHBondContact CG-OD2 3.2Å
104F95.2Very high96.3Very high33 Ų3329.8 Ų29.815%0.14518%0.18CC..THydrogen-bonded Turntrans-122.19-176.7-59.6-81.7000112.9I51 S52 M55 G102 Y210 V216 D218I51-F104 CarbonylContact C-O 3.59Å; I51-F104 VanDerWaalsContact CA-O 3.23Å; I51-F104 WeakPolarHBondContact CA-O 3.41Å; S52-F104 PolarHBondContact N-O 2.8Å; S52-F104 WeakPolarHBondContact O-CB 3.49Å; M55-F104 HydrophobicContact CB-CD1 4.41Å; M55-F104 HydrophobicContact CB-CE1 3.73Å; M55-F104 HydrophobicContact CB-CZ 3.99Å; M55-F104 HydrophobicContact CG-CZ 4.38Å; G102-F104 PolarHBondContact O-N 3Å; F104-Y210 VanDerWaalsContact C-CE1 3.43Å; F104-Y210 HydrophobicContact CB-CD1 3.78Å; F104-Y210 HydrophobicContact CB-CD2 3.63Å; F104-Y210 HydrophobicContact CB-CE1 3.81Å; F104-Y210 HydrophobicContact CB-CE2 3.67Å; F104-Y210 HydrophobicContact CB-CG 3.68Å; F104-Y210 HydrophobicContact CD2-CD2 4.11Å; F104-Y210 AromaticContact CD2-CE2 3.73Å; F104-Y210 HydrophobicContact CD2-CE2 3.73Å; F104-Y210 HydrophobicContact CG-CD2 4.24Å; F104-Y210 HydrophobicContact CG-CE2 4.17Å; F104-V216 HydrophobicContact CD1-CG1 3.94Å; F104-V216 HydrophobicContact CD2-CG1 3.81Å; F104-V216 HydrophobicContact CE1-CG1 4.01Å; F104-V216 HydrophobicContact CE2-CG1 3.91Å; F104-V216 HydrophobicContact CG-CG1 3.84Å; F104-V216 HydrophobicContact CZ-CG1 4.01Å; F104-D218 HydrophobicContact CD2-CB 4.4Å; F104-D218 HydrophobicContact CE2-CB 4.4Å
105G95.3Very high96.5Very high1 Ų125.8 Ų25.81%0.0115%0.147CC..EExtended strand (participates in β ladder)trans177.7158.4-178.900000114.8G50 G102 Y210G50-G105 CarbonylContact O-C 3.55Å; G50-G105 WeakPolarHBondContact O-CA 3.42Å; G102-G105 PolarHBondContact N-O 2.98Å; G102-G105 PolarHBondContact O-N 2.74Å; G105-Y210 VanDerWaalsContact N-CE1 3.3Å
106K96Very high96.5Very high67 Ų6724.3 Ų24.329%0.29113%0.129SC..EExtended strand (participates in β ladder)trans-145.4137.6-174.3-171.8174.2-173.7151.10110.8C49 G50 W60 F100 E101 A108C49-K106 CarbonylContact C-O 3.58Å; C49-K106 VanDerWaalsContact CA-O 3.27Å; C49-K106 WeakPolarHBondContact CA-O 3.39Å; G50-K106 PolarHBondContact N-O 2.92Å; G50-K106 PolarHBondContact O-N 2.96Å; W60-K106 HydrophobicContact CH2-CB 4.1Å; W60-K106 HydrophobicContact CZ2-CB 4.25Å; F100-K106 CarbonylContact O-C 3.52Å; F100-K106 VanDerWaalsContact O-CA 3.31Å; F100-K106 WeakPolarHBondContact O-CA 3.37Å; F100-K106 WeakPolarHBondContact O-CG 3.42Å; E101-K106 HydrophobicContact CB-CG 4.38Å; E101-K106 HydrophobicContact CG-CD 4.39Å; E101-K106 HydrophobicContact CG-CG 4.46Å; E101-K106 IonicContact OE1-NZ 3.97Å; E101-K106 PolarHBondContact OE1-NZ 3.3Å; E101-K106 WeakPolarHBondContact OE2-CE 3.45Å; E101-K106 IonicContact OE2-NZ 3.91Å; E101-K106 PolarHBondContact OE2-NZ 2.88Å; K106-A108 HydrophobicContact CD-CB 4.19Å; K106-A108 HydrophobicContact CG-CB 4.12Å
107I97.4Very high96.3Very high2 Ų224.4 Ų24.41%0.0113%0.13CC..EExtended strand (participates in β ladder)trans-105.5107.5165.8-54.3177.1000107S48 C49 Y66 P97 T98 F100 Y109 L252 C255 I258S48-I107 WeakPolarHBondContact O-CA 3.05Å; C49-I107 HydrophobicContact CB-CG1 3.94Å; Y66-I107 HydrophobicContact CD2-CG2 4.33Å; Y66-I107 HydrophobicContact CE2-CG2 4.04Å; P97-I107 HydrophobicContact CB-CD1 4.24Å; P97-I107 HydrophobicContact CB-CG2 4.37Å; T98-I107 WeakPolarHBondContact O-CD1 3.2Å; F100-I107 HydrophobicContact CB-CB 4.3Å; F100-I107 HydrophobicContact CB-CD1 4.09Å; F100-I107 HydrophobicContact CB-CG1 4.16Å; F100-I107 PolarHBondContact N-O 2.76Å; F100-I107 PolarHBondContact O-N 3.32Å; I107-Y109 HydrophobicContact CG2-CE2 3.67Å; I107-Y109 VanDerWaalsContact CG2-OH 3.28Å; I107-Y109 WeakPolarHBondContact CG2-OH 3.46Å; I107-L252 HydrophobicContact CD1-CD1 3.82Å; I107-C255 HydrophobicContact CD1-CB 3.86Å; I107-I258 HydrophobicContact CG1-CD1 4.23Å
108A97Very high95.9Very high41 Ų4126.1 Ų26.134%0.33914%0.142SC..EExtended strand (participates in β ladder)trans-124.5144.8-172.400000111.8G47 S48 K106G47-A108 WeakPolarHBondContact CA-O 3.26Å; S48-A108 PolarHBondContact N-O 2.71Å; S48-A108 VanDerWaalsContact N-O 3.08Å; S48-A108 PolarHBondContact O-N 3.23Å; K106-A108 HydrophobicContact CD-CB 4.19Å; K106-A108 HydrophobicContact CG-CB 4.12Å
109Y98.1Very high94.9Very high5 Ų535.8 Ų35.82%0.0218%0.177CC..EExtended strand (participates in β ladder)trans-128.8145.4176.6-54.1-87.9000111.1L46 I96 P97 S99 I107 P129 F130 V132L46-Y109 CarbonylContact O-C 3.57Å; L46-Y109 VanDerWaalsContact O-CA 3.3Å; L46-Y109 WeakPolarHBondContact O-CA 3.32Å; I96-Y109 HydrophobicContact CD1-CD1 3.99Å; I96-Y109 HydrophobicContact CD1-CE1 3.55Å; I96-Y109 HydrophobicContact CG1-CE1 3.63Å; P97-Y109 WeakPolarHBondContact CD-OH 3.3Å; P97-Y109 PolarHBondContact O-OH 3.08Å; S99-Y109 VanDerWaalsContact OG-CD2 3.28Å; S99-Y109 WeakPolarHBondContact OG-CD2 3.34Å; S99-Y109 WeakPolarHBondContact OG-CE2 3.2Å; I107-Y109 HydrophobicContact CG2-CE2 3.67Å; I107-Y109 VanDerWaalsContact CG2-OH 3.28Å; I107-Y109 WeakPolarHBondContact CG2-OH 3.46Å; Y109-P129 WeakPolarHBondContact O-CA 3.05Å; Y109-F130 VanDerWaalsContact CB-CZ 3.47Å; Y109-F130 HydrophobicContact CD1-CZ 4.46Å; Y109-F130 HydrophobicContact CG-CE2 4.08Å; Y109-F130 HydrophobicContact CG-CZ 4.25Å; Y109-F130 PolarHBondContact O-N 2.81Å; Y109-F130 VanDerWaalsContact O-N 3.13Å; Y109-V132 HydrophobicContact CD1-CG2 4.24Å; Y109-V132 HydrophobicContact CD2-CB 4.03Å; Y109-V132 HydrophobicContact CD2-CG2 3.57Å; Y109-V132 HydrophobicContact CE1-CG2 4.37Å; Y109-V132 HydrophobicContact CE2-CB 3.77Å; Y109-V132 HydrophobicContact CE2-CG2 3.7Å; Y109-V132 HydrophobicContact CG-CG2 3.88Å
110C97.9Very high93.9Very high13 Ų1343.9 Ų43.99%0.08821%0.21CC..EExtended strand (participates in β ladder)trans-155.5156.5175.967.40000112.6L46 Q127 R128L46-C110 PolarHBondContact N-O 2.87Å; L46-C110 PolarHBondContact O-N 2.75Å; C110-Q127 HydrophobicContact CB-CG 3.66Å; C110-Q127 VanDerWaalsContact SG-CD 3.54Å; C110-Q127 PolarHBondContact SG-NE2 2.97Å; C110-R128 CarbonylContact C-O 3.52Å; C110-R128 VanDerWaalsContact CA-O 3.31Å; C110-R128 WeakPolarHBondContact CA-O 3.32Å; C110-R128 WeakPolarHBondContact CB-O 3.27Å
111V98.4Very high93.2Very high0 Ų045.6 Ų45.60%023%0.225CC..EExtended strand (participates in β ladder)trans-101.2129.4162.2-179.90000108I9 F11 I24 V43 N44 F88 Q127 R128 F130I9-V111 HydrophobicContact CD1-CG1 4.37Å; I9-V111 WeakPolarHBondContact CD1-O 3.45Å; I9-V111 HydrophobicContact CG2-CB 4.48Å; I9-V111 HydrophobicContact CG2-CG1 4.26Å; F11-V111 HydrophobicContact CE1-CB 4.01Å; F11-V111 HydrophobicContact CE1-CG2 3.72Å; F11-V111 HydrophobicContact CZ-CB 4.37Å; F11-V111 HydrophobicContact CZ-CG2 4.16Å; I24-V111 HydrophobicContact CD1-CG2 3.74Å; I24-V111 HydrophobicContact CG1-CG2 4.5Å; V43-V111 HydrophobicContact CG1-CG1 3.37Å; N44-V111 CarbonylContact O-C 3.6Å; N44-V111 WeakPolarHBondContact O-CA 3.4Å; F88-V111 HydrophobicContact CE2-CG1 3.97Å; F88-V111 HydrophobicContact CE2-CG2 4.23Å; F88-V111 HydrophobicContact CZ-CG1 3.96Å; V111-Q127 CarbonylContact O-C 3.51Å; V111-Q127 VanDerWaalsContact O-CA 3.31Å; V111-Q127 WeakPolarHBondContact O-CA 3.32Å; V111-R128 PolarHBondContact N-O 3.37Å; V111-R128 PolarHBondContact O-N 2.88Å; V111-F130 HydrophobicContact CG2-CD1 4.2Å; V111-F130 HydrophobicContact CG2-CE1 4Å
112R98.2Very high92.8Very high84 Ų8446.9 Ų46.932%0.31723%0.228SC..EExtended strand (participates in β ladder)trans-118.1124.2178.7-177.7-176.3-175.6-172.715.7109.8V43 N44 L46 K125 A126V43-R112 CarbonylContact C-O 3.53Å; V43-R112 WeakPolarHBondContact CA-O 3.32Å; N44-R112 PolarHBondContact N-O 2.87Å; N44-R112 PolarHBondContact O-N 2.9Å; L46-R112 HydrophobicContact CD1-CB 4.34Å; R112-K125 VanDerWaalsContact NH2-CD 3.29Å; R112-K125 VanDerWaalsContact NH2-CE 3.29Å; R112-A126 CarbonylContact C-O 3.5Å; R112-A126 VanDerWaalsContact CA-O 3.29Å; R112-A126 WeakPolarHBondContact CA-O 3.27Å
113A98.2Very high92.5Very high0 Ų049.7 Ų49.70%024%0.239CC..EExtended strand (participates in β ladder)trans-100.8140.8170.700000109.6F7 I9 V28 K42 K125 A126F7-A113 HydrophobicContact CE2-CB 3.67Å; F7-A113 HydrophobicContact CZ-CB 3.49Å; F7-A113 VanDerWaalsContact CZ-CB 3.49Å; F7-A113 WeakPolarHBondContact CZ-O 3.5Å; I9-A113 HydrophobicContact CD1-CB 3.73Å; I9-A113 HydrophobicContact CG1-CB 3.95Å; V28-A113 HydrophobicContact CG1-CB 3.97Å; V28-A113 HydrophobicContact CG2-CB 3.87Å; K42-A113 CarbonylContact O-C 3.53Å; K42-A113 VanDerWaalsContact O-CA 3.28Å; K42-A113 WeakPolarHBondContact O-CA 3.31Å; A113-K125 WeakPolarHBondContact O-CA 3.49Å; A113-A126 PolarHBondContact N-O 2.78Å; A113-A126 PolarHBondContact O-N 2.74Å
114A97.3Very high92.5Very high13 Ų1351 Ų5111%0.10724%0.242CC..EExtended strand (participates in β ladder)trans-135.4137.5175.900000111.1I41 K42 Y124 K125I41-A114 CarbonylContact C-O 3.53Å; I41-A114 WeakPolarHBondContact CA-O 3.42Å; K42-A114 PolarHBondContact N-O 2.86Å; K42-A114 PolarHBondContact O-N 2.79Å; A114-Y124 CarbonylContact C-O 3.45Å; A114-Y124 VanDerWaalsContact CA-O 3.25Å; A114-Y124 WeakPolarHBondContact CA-O 3.02Å; A114-K125 HydrophobicContact CB-CG 4.21Å
115I96.3Very high92.5Very high0 Ų055.5 Ų55.50%026%0.261CS..EExtended strand (participates in β ladder)trans-106.6107.1169.4-52.5173.1000106.7L4 F7 I30 I41 T117 Y124L4-I115 HydrophobicContact CD1-CD1 4.42Å; F7-I115 HydrophobicContact CD2-CD1 4.42Å; F7-I115 HydrophobicContact CE1-CD1 4.37Å; F7-I115 HydrophobicContact CE1-CG1 4.19Å; F7-I115 HydrophobicContact CE2-CD1 4.24Å; F7-I115 HydrophobicContact CE2-CG1 4.18Å; F7-I115 HydrophobicContact CZ-CD1 4.22Å; F7-I115 HydrophobicContact CZ-CG1 3.83Å; I30-I115 HydrophobicContact CD1-CD1 3.71Å; I30-I115 HydrophobicContact CD1-CG1 4.12Å; I30-I115 HydrophobicContact CG1-CD1 4.24Å; I30-I115 HydrophobicContact CG2-CD1 4.19Å; I41-I115 HydrophobicContact CG1-CG1 4.47Å; I41-I115 HydrophobicContact CG1-CG2 4.44Å; I41-I115 HydrophobicContact CG2-CG1 4.5Å; I115-T117 HydrophobicContact CG2-CG2 4.34Å; I115-Y124 HydrophobicContact CB-CD2 4.27Å; I115-Y124 HydrophobicContact CD1-CD2 4.41Å; I115-Y124 PolarHBondContact N-O 3.09Å; I115-Y124 PolarHBondContact O-N 2.91Å
116D93.8Very high92.5Very high39 Ų3956.1 Ų56.121%0.20927%0.267CS..EExtended strand (participates in β ladder)trans-79.5122.1176.4-69.9-10.1000108.5Y38 K39 A40 K42Y38-D116 CarbonylContact C-O 3.5Å; Y38-D116 WeakPolarHBondContact CA-O 3.44Å; K39-D116 HydrophobicContact CB-CB 4.23Å; K39-D116 PolarHBondContact N-O 2.83Å; A40-D116 PolarHBondContact O-N 3.5Å; K42-D116 WeakPolarHBondContact CD-OD2 3.48Å; K42-D116 VanDerWaalsContact CE-OD2 3.26Å; K42-D116 WeakPolarHBondContact CE-OD2 3.3Å; K42-D116 IonicContact NZ-OD2 2.7Å; K42-D116 PolarHBondContact NZ-OD2 2.84Å
117T91.5Very high92.6Very high5 Ų558.8 Ų58.83%0.03128%0.28CS..PPolyproline II helixtrans-103.8164.2-175.260.30000112.7K39 I115 S121 K122 D123 Y124K39-T117 WeakPolarHBondContact CD-O 3.35Å; K39-T117 WeakPolarHBondContact CE-O 3.45Å; K39-T117 PolarHBondContact NZ-O 3.36Å; I115-T117 HydrophobicContact CG2-CG2 4.34Å; T117-S121 WeakPolarHBondContact OG1-CB 3.5Å; T117-S121 PolarHBondContact OG1-O 3.4Å; T117-K122 WeakPolarHBondContact CG2-O 3.49Å; T117-K122 PolarHBondContact OG1-O 2.81Å; T117-D123 PolarHBondContact N-OD1 2.97Å; T117-D123 PolarHBondContact OG1-OD1 2.9Å; T117-Y124 HydrophobicContact CG2-CD2 4.23Å; T117-Y124 HydrophobicContact CG2-CE2 4.21Å
118P88.7Confident92.6Very high36 Ų3664.8 Ų64.823%0.23430%0.303CS..SBendtrans-54.4159170.1-27.736.8000113.1Q37 F120 S121Q37-P118 HydrophobicContact CB-CG 3.86Å; Q37-P118 VanDerWaalsContact O-CD 3.3Å; Q37-P118 WeakPolarHBondContact O-CD 3.43Å; P118-F120 PolarHBondContact O-N 2.78Å; P118-S121 WeakPolarHBondContact O-CB 3.5Å; P118-S121 PolarHBondContact O-N 2.79Å
119R76.1Confident92.6Very high206 Ų20665.7 Ų65.778%0.77731%0.305SS*.THydrogen-bonded Turntrans-54.1138.7-176.9-152.6178.3-157.7179.55109.7S121R119-S121 VanDerWaalsContact C-N 3.27Å; R119-S121 PolarHBondContact O-N 2.88Å
120F78.1Confident92.6Very high194 Ų19465.5 Ų65.585%0.85130%0.304SS*.THydrogen-bonded Turntrans70.88.1-177.2-44-75.2000116.3P118P118-F120 PolarHBondContact O-N 2.78Å
121S82.3Confident92.6Very high57 Ų5769.2 Ų69.240%0.39932%0.317SS..SBendtrans-97.2157.2167.5-63.90000111.3T117 P118 R119T117-S121 WeakPolarHBondContact OG1-CB 3.5Å; T117-S121 PolarHBondContact OG1-O 3.4Å; P118-S121 WeakPolarHBondContact O-CB 3.5Å; P118-S121 PolarHBondContact O-N 2.79Å; R119-S121 VanDerWaalsContact C-N 3.27Å; R119-S121 PolarHBondContact O-N 2.88Å
122K85.2Confident92.6Very high153 Ų15369.3 Ų69.367%0.66532%0.318SS*.PPolyproline II helixtrans-78.9123.7176.7179.6-179.6178-1780109.4T117 Y124T117-K122 WeakPolarHBondContact CG2-O 3.49Å; T117-K122 PolarHBondContact OG1-O 2.81Å; K122-Y124 WeakPolarHBondContact O-CE2 3.23Å
123D87.9Confident92.5Very high76 Ų7666.8 Ų66.841%0.40631%0.31SS..PPolyproline II helixtrans-73.3146.9169.8-64.2-25.5000111T117T117-D123 PolarHBondContact N-OD1 2.97Å; T117-D123 PolarHBondContact OG1-OD1 2.9Å
124Y93.1Very high92.4Very high45 Ų4568.3 Ų68.318%0.17632%0.318CS..EExtended strand (participates in β ladder)trans-109.5139.7179.6-57.8-82.4000110.1L4 L36 A114 I115 T117 K122L4-Y124 HydrophobicContact CB-CD1 4.15Å; L4-Y124 HydrophobicContact CB-CE1 3.67Å; L4-Y124 HydrophobicContact CB-CE2 4.5Å; L4-Y124 HydrophobicContact CD2-CD1 3.14Å; L4-Y124 HydrophobicContact CD2-CD2 4.23Å; L4-Y124 HydrophobicContact CD2-CE1 3.58Å; L4-Y124 HydrophobicContact CD2-CG 3.49Å; L4-Y124 VanDerWaalsContact CD2-CG 3.49Å; L4-Y124 HydrophobicContact CG-CD1 4.28Å; L4-Y124 HydrophobicContact CG-CE1 4.3Å; L36-Y124 HydrophobicContact CD1-CE2 4.12Å; L36-Y124 HydrophobicContact CD2-CD2 4.45Å; L36-Y124 HydrophobicContact CD2-CE2 4.09Å; A114-Y124 CarbonylContact C-O 3.45Å; A114-Y124 VanDerWaalsContact CA-O 3.25Å; A114-Y124 WeakPolarHBondContact CA-O 3.02Å; I115-Y124 HydrophobicContact CB-CD2 4.27Å; I115-Y124 HydrophobicContact CD1-CD2 4.41Å; I115-Y124 PolarHBondContact N-O 3.09Å; I115-Y124 PolarHBondContact O-N 2.91Å; T117-Y124 HydrophobicContact CG2-CD2 4.23Å; T117-Y124 HydrophobicContact CG2-CE2 4.21Å; K122-Y124 WeakPolarHBondContact O-CE2 3.23Å
125K95.3Very high92.2Very high128 Ų12872.7 Ų72.756%0.55734%0.338SS*.EExtended strand (participates in β ladder)trans-136.3135.4179.8-75156.5174.2176.80109.4F7 R112 A113 A114F7-K125 VanDerWaalsContact CE1-C 3.48Å; R112-K125 VanDerWaalsContact NH2-CD 3.29Å; R112-K125 VanDerWaalsContact NH2-CE 3.29Å; A113-K125 WeakPolarHBondContact O-CA 3.49Å; A114-K125 HydrophobicContact CB-CG 4.21Å
126A96.6Very high92.2Very high15 Ų1574.4 Ų74.412%0.12435%0.347CS..EExtended strand (participates in β ladder)trans-128.6149.1169.900000108.2F7 I9 R112 A113F7-A126 HydrophobicContact CD1-CB 3.69Å; F7-A126 HydrophobicContact CD2-CB 4.24Å; F7-A126 HydrophobicContact CE1-CB 3.76Å; F7-A126 HydrophobicContact CE2-CB 4.32Å; F7-A126 HydrophobicContact CG-CB 3.96Å; F7-A126 HydrophobicContact CZ-CB 4.1Å; F7-A126 WeakPolarHBondContact O-CB 3.43Å; I9-A126 HydrophobicContact CD1-CB 4.21Å; I9-A126 HydrophobicContact CG1-CB 4.26Å; R112-A126 CarbonylContact C-O 3.5Å; R112-A126 VanDerWaalsContact CA-O 3.29Å; R112-A126 WeakPolarHBondContact CA-O 3.27Å; A113-A126 PolarHBondContact N-O 2.78Å; A113-A126 PolarHBondContact O-N 2.74Å
127Q97.1Very high92.3Very high122 Ų12273.9 Ų73.957%0.5734%0.344SS*.EExtended strand (participates in β ladder)trans-140.6141178.6-177.9176.8-32.900109.5C110 V111C110-Q127 HydrophobicContact CB-CG 3.66Å; C110-Q127 VanDerWaalsContact SG-CD 3.54Å; C110-Q127 PolarHBondContact SG-NE2 2.97Å; V111-Q127 CarbonylContact O-C 3.51Å; V111-Q127 VanDerWaalsContact O-CA 3.31Å; V111-Q127 WeakPolarHBondContact O-CA 3.32Å
128R97.5Very high92.5Very high129 Ų12973.7 Ų73.749%0.48734%0.343SS..EExtended strand (participates in β ladder)trans-130118.2174.5-168.676-177.7-178.60.9109.3I9 F11 C110 V111I9-R128 HydrophobicContact CB-CB 3.93Å; I9-R128 HydrophobicContact CD1-CB 4.44Å; I9-R128 HydrophobicContact CG2-CB 4.01Å; F11-R128 HydrophobicContact CD2-CG 4.22Å; F11-R128 HydrophobicContact CE1-CB 4.4Å; F11-R128 HydrophobicContact CE1-CG 4.32Å; F11-R128 HydrophobicContact CE2-CB 4.25Å; F11-R128 HydrophobicContact CE2-CG 3.47Å; F11-R128 VanDerWaalsContact CE2-CG 3.47Å; F11-R128 HydrophobicContact CZ-CB 3.78Å; F11-R128 HydrophobicContact CZ-CG 3.53Å; C110-R128 CarbonylContact C-O 3.52Å; C110-R128 VanDerWaalsContact CA-O 3.31Å; C110-R128 WeakPolarHBondContact CA-O 3.32Å; C110-R128 WeakPolarHBondContact CB-O 3.27Å; V111-R128 PolarHBondContact N-O 3.37Å; V111-R128 PolarHBondContact O-N 2.88Å
129P97.7Very high92.8Very high59 Ų5974.3 Ų74.338%0.38334%0.344SS..EExtended strand (participates in β ladder)trans-72.2151.617630.6-33.8000110.9F11 Y109F11-P129 WeakPolarHBondContact CE2-O 3.25Å; Y109-P129 WeakPolarHBondContact O-CA 3.05Å
130F97.8Very high93.6Very high2 Ų271.5 Ų71.51%0.00934%0.34CS..EExtended strand (participates in β ladder)trans-140.8166.4166.467.3-89.6000109F11 Y18 I24 L67 L92 Y109 V111 V132F11-F130 HydrophobicContact CE2-CB 3.86Å; F11-F130 HydrophobicContact CZ-CB 4.14Å; F11-F130 HydrophobicContact CZ-CD1 4.2Å; Y18-F130 HydrophobicContact CD2-CB 4.13Å; Y18-F130 AromaticContact CD2-CD2 3.77Å; Y18-F130 HydrophobicContact CD2-CD2 3.77Å; Y18-F130 HydrophobicContact CD2-CG 4.24Å; Y18-F130 HydrophobicContact CE2-CB 4.01Å; Y18-F130 HydrophobicContact CE2-CD2 4.32Å; Y18-F130 HydrophobicContact CE2-CG 4.36Å; I24-F130 HydrophobicContact CD1-CB 4.36Å; I24-F130 HydrophobicContact CD1-CD1 3.5Å; I24-F130 VanDerWaalsContact CD1-CD1 3.5Å; I24-F130 HydrophobicContact CD1-CD2 4.14Å; I24-F130 HydrophobicContact CD1-CE1 3.66Å; I24-F130 HydrophobicContact CD1-CE2 4.27Å; I24-F130 HydrophobicContact CD1-CG 3.75Å; I24-F130 HydrophobicContact CD1-CZ 4.03Å; L67-F130 HydrophobicContact CD2-CZ 4.35Å; L92-F130 HydrophobicContact CD1-CE2 4.28Å; L92-F130 HydrophobicContact CD2-CE2 4.01Å; L92-F130 HydrophobicContact CD2-CZ 4.02Å; Y109-F130 VanDerWaalsContact CB-CZ 3.47Å; Y109-F130 HydrophobicContact CD1-CZ 4.46Å; Y109-F130 HydrophobicContact CG-CE2 4.08Å; Y109-F130 HydrophobicContact CG-CZ 4.25Å; Y109-F130 PolarHBondContact O-N 2.81Å; Y109-F130 VanDerWaalsContact O-N 3.13Å; V111-F130 HydrophobicContact CG2-CD1 4.2Å; V111-F130 HydrophobicContact CG2-CE1 4Å; F130-V132 HydrophobicContact CD2-CG2 4.21Å; F130-V132 HydrophobicContact CE2-CG2 3.82Å
131Y97.9Very high94.3Very high90 Ų9063.2 Ų63.235%0.35331%0.305SS..EExtended strand (participates in β ladder)trans-117.5149-176-57.8-83.9000110.5V16 V17 Y18 S99V16-Y131 PolarHBondContact O-N 3.11Å; V17-Y131 CarbonylContact C-O 3.59Å; V17-Y131 WeakPolarHBondContact CA-O 3.47Å; Y18-Y131 PolarHBondContact N-O 3.23Å; S99-Y131 WeakPolarHBondContact OG-CA 3.25Å
132V97.8Very high94.7Very high3 Ų365.4 Ų65.42%0.01832%0.318CS..EExtended strand (participates in β ladder)trans-118.1132176.8177.50000108.7Y18 L92 I96 P97 T98 S99 Y109 F130Y18-V132 CarbonylContact O-C 3.54Å; Y18-V132 VanDerWaalsContact O-CA 3.25Å; Y18-V132 WeakPolarHBondContact O-CA 3.29Å; L92-V132 HydrophobicContact CD1-CG2 4.24Å; I96-V132 HydrophobicContact CB-CG1 4.46Å; I96-V132 HydrophobicContact CD1-CG1 4.28Å; I96-V132 HydrophobicContact CD1-CG2 3.76Å; I96-V132 HydrophobicContact CG1-CG1 4.11Å; I96-V132 HydrophobicContact CG1-CG2 4.32Å; I96-V132 HydrophobicContact CG2-CG1 3.68Å; P97-V132 VanDerWaalsContact O-CG1 3.23Å; P97-V132 WeakPolarHBondContact O-CG1 3.47Å; T98-V132 CarbonylContact C-O 3.52Å; T98-V132 WeakPolarHBondContact CA-O 3.35Å; S99-V132 PolarHBondContact N-O 3.35Å; S99-V132 PolarHBondContact OG-N 3.44Å; Y109-V132 HydrophobicContact CD1-CG2 4.24Å; Y109-V132 HydrophobicContact CD2-CB 4.03Å; Y109-V132 HydrophobicContact CD2-CG2 3.57Å; Y109-V132 HydrophobicContact CE1-CG2 4.37Å; Y109-V132 HydrophobicContact CE2-CB 3.77Å; Y109-V132 HydrophobicContact CE2-CG2 3.7Å; Y109-V132 HydrophobicContact CG-CG2 3.88Å; F130-V132 HydrophobicContact CD2-CG2 4.21Å; F130-V132 HydrophobicContact CE2-CG2 3.82Å
133L96.7Very high94.8Very high31 Ų3162.5 Ų62.516%0.16231%0.31CS..  trans-121.199.4172.5-179.461.3000109.1V17 Y18 T98 M135V17-L133 HydrophobicContact CG1-CB 4.08Å; Y18-L133 PolarHBondContact O-N 2.91Å; T98-L133 HydrophobicContact CG2-CD1 3.96Å; L133-M135 HydrophobicContact CD2-CE 3.85Å; L133-M135 HydrophobicContact CD2-CG 4.11Å; L133-M135 HydrophobicContact CG-CG 3.93Å; L133-M135 PolarHBondContact O-N 2.88Å
134N95.3Very high94.9Very high31 Ų3159.2 Ų59.217%0.16629%0.292CS..  trans-91.388.4169.3-172.7-6.3000108.2P20 I96 T98 L136 Q249P20-N134 HydrophobicContact CG-CB 3.64Å; I96-N134 PolarHBondContact O-ND2 2.85Å; T98-N134 WeakPolarHBondContact OG1-CA 3.43Å; T98-N134 WeakPolarHBondContact OG1-CB 3.06Å; T98-N134 PolarHBondContact OG1-N 2.92Å; T98-N134 PolarHBondContact OG1-O 2.77Å; N134-L136 PolarHBondContact O-N 2.84Å; N134-Q249 PolarHBondContact O-NE2 3.09Å; N134-Q249 PolarHBondContact O-OE1 3.49Å
135M94.8Very high94.3Very high106 Ų10664.6 Ų64.652%0.52232%0.319SS..  trans-56.5132.4-170.9-69.2-174.5-179.700112L133 N137 N283L133-M135 HydrophobicContact CD2-CE 3.85Å; L133-M135 HydrophobicContact CD2-CG 4.11Å; L133-M135 HydrophobicContact CG-CG 3.93Å; L133-M135 PolarHBondContact O-N 2.88Å; M135-N137 PolarHBondContact O-N 2.84Å; M135-N283 WeakPolarHBondContact CA-OD1 3.38Å; M135-N283 HydrophobicContact CB-CB 3.98Å; M135-N283 HydrophobicContact CG-CB 4.05Å; M135-N283 HydrophobicContact SD-CB 4.43Å
136L95.8Very high93.6Very high35 Ų3563.7 Ų63.718%0.18332%0.317CS..  trans-80.9113167.9179.466.4000110.1N134 L138 V141 Q249 S250 I281 N283 I284N134-L136 PolarHBondContact O-N 2.84Å; L136-L138 HydrophobicContact CD2-CD2 4.12Å; L136-V141 HydrophobicContact CD1-CG2 4.13Å; L136-Q249 HydrophobicContact CB-CB 4.07Å; L136-Q249 HydrophobicContact CB-CG 4.43Å; L136-S250 WeakPolarHBondContact CD2-O 3.41Å; L136-I281 WeakPolarHBondContact CD2-O 3.43Å; L136-N283 PolarHBondContact N-OD1 2.94Å; L136-N283 PolarHBondContact O-N 2.7Å; L136-I284 PolarHBondContact O-N 2.74Å
137N95.5Very high92.6Very high29 Ų2970 Ų7016%0.15534%0.344CS..BIsolated β-bridgetrans-82.7113.7166.8-1753000110.2M135 N139 E140 I284M135-N137 PolarHBondContact O-N 2.84Å; N137-N139 PolarHBondContact O-N 3.17Å; N137-N139 WeakPolarHBondContact OD1-CB 3.23Å; N137-N139 PolarHBondContact OD1-N 3.42Å; N137-N139 PolarHBondContact OD1-ND2 3.31Å; N137-E140 HydrophobicContact CB-CG 4.09Å; N137-E140 WeakPolarHBondContact CB-OE1 3.21Å; N137-E140 PolarHBondContact ND2-OE1 2.86Å; N137-E140 PolarHBondContact O-N 2.83Å; N137-E140 VanDerWaalsContact O-N 3.09Å; N137-I284 HydrophobicContact CB-CB 4.37Å; N137-I284 HydrophobicContact CB-CD1 4.04Å
138L95.8Very high92.1Very high0 Ų064.5 Ų64.50%032%0.318CS..G310 helixtrans-63.9-25.9-178.1-68.3172.4000112.5L136 E140 V141 I144 V178 F280 I284 V286L136-L138 HydrophobicContact CD2-CD2 4.12Å; L138-E140 PolarHBondContact O-N 3.18Å; L138-V141 WeakPolarHBondContact O-CB 3.41Å; L138-V141 PolarHBondContact O-N 3.1Å; L138-V141 VanDerWaalsContact O-N 3.09Å; L138-I144 HydrophobicContact CB-CG1 4.38Å; L138-I144 WeakPolarHBondContact O-CG2 3.38Å; L138-V178 HydrophobicContact CD1-CG1 4.07Å; L138-F280 HydrophobicContact CD2-CB 3.74Å; L138-I284 WeakPolarHBondContact CB-O 3.39Å; L138-I284 WeakPolarHBondContact CG-O 3.24Å; L138-I284 PolarHBondContact N-O 2.68Å; L138-V286 HydrophobicContact CB-CG2 3.77Å; L138-V286 HydrophobicContact CD1-CG2 4.18Å
139N94.8Very high91.9Very high49 Ų4960.9 Ų60.926%0.26231%0.312SS..G310 helixtrans-67.8-15.7177.5-57.4-75.7000113.5N137 P285 N287N137-N139 PolarHBondContact O-N 3.17Å; N137-N139 WeakPolarHBondContact OD1-CB 3.23Å; N137-N139 PolarHBondContact OD1-N 3.42Å; N137-N139 PolarHBondContact OD1-ND2 3.31Å; N139-P285 PolarHBondContact ND2-O 2.72Å; N139-N287 WeakPolarHBondContact OD1-CB 3.41Å; N139-N287 PolarHBondContact OD1-N 2.89Å; N139-N287 PolarHBondContact OD1-ND2 2.89Å
140E93.7Very high91.8Very high147 Ų14759.1 Ų59.169%0.68730%0.303SS*.G310 helixtrans-90.7-8.1175.9-67.4167-151.400112.1N137 L138 P142N137-E140 HydrophobicContact CB-CG 4.09Å; N137-E140 WeakPolarHBondContact CB-OE1 3.21Å; N137-E140 PolarHBondContact ND2-OE1 2.86Å; N137-E140 PolarHBondContact O-N 2.83Å; N137-E140 VanDerWaalsContact O-N 3.09Å; L138-E140 PolarHBondContact O-N 3.18Å; E140-P142 WeakPolarHBondContact O-CD 3.32Å
141V92.7Very high91.8Very high20 Ų2062.5 Ų62.512%0.12132%0.324CS..SBendtrans-79.6124.6178.1-178.40000109.1L136 L138 D143 I144 F280L136-V141 HydrophobicContact CD1-CG2 4.13Å; L138-V141 WeakPolarHBondContact O-CB 3.41Å; L138-V141 PolarHBondContact O-N 3.1Å; L138-V141 VanDerWaalsContact O-N 3.09Å; V141-D143 PolarHBondContact O-N 3.09Å; V141-I144 HydrophobicContact CB-CB 4.19Å; V141-I144 HydrophobicContact CB-CD1 4.11Å; V141-I144 HydrophobicContact CB-CG1 4.38Å; V141-I144 HydrophobicContact CG1-CD1 4.02Å; V141-I144 WeakPolarHBondContact O-CB 3.31Å; V141-I144 PolarHBondContact O-N 3.08Å; V141-F280 HydrophobicContact CG1-CD1 4.18Å; V141-F280 HydrophobicContact CG1-CD2 4.12Å; V141-F280 HydrophobicContact CG1-CE1 4.01Å; V141-F280 HydrophobicContact CG1-CE2 3.94Å; V141-F280 HydrophobicContact CG1-CG 4.24Å; V141-F280 HydrophobicContact CG1-CZ 3.88Å
142P90Very high91.8Very high103 Ų10360.6 Ų60.667%0.66932%0.321SS*.THydrogen-bonded Turntrans-57.8140.7177.7-24.834000112.1E140 I144E140-P142 WeakPolarHBondContact O-CD 3.32Å; P142-I144 PolarHBondContact O-N 2.8Å; P142-I144 VanDerWaalsContact O-N 3.09Å
143D86.9Confident91.7Very high93 Ų9364.4 Ų64.450%0.49735%0.345SS..THydrogen-bonded Turntrans59.218.5175.5-55.6-42.8000114.9V141 E145 Q146 R175V141-D143 PolarHBondContact O-N 3.09Å; D143-E145 PolarHBondContact O-N 3.37Å; D143-Q146 HydrophobicContact CB-CG 4.05Å; D143-Q146 WeakPolarHBondContact O-CB 3.49Å; D143-Q146 PolarHBondContact O-N 3.02Å; D143-Q146 VanDerWaalsContact O-N 3.11Å; D143-Q146 PolarHBondContact OD1-NE2 2.68Å; D143-R175 PolarHBondContact O-NH1 2.93Å
144I89.6Confident91.6Very high7 Ų766.8 Ų66.84%0.03635%0.354CS..THydrogen-bonded Turntrans-61.9-28.8-177.8-158.865000113L138 V141 P142 Q146 R175 F280 V286L138-I144 HydrophobicContact CB-CG1 4.38Å; L138-I144 WeakPolarHBondContact O-CG2 3.38Å; V141-I144 HydrophobicContact CB-CB 4.19Å; V141-I144 HydrophobicContact CB-CD1 4.11Å; V141-I144 HydrophobicContact CB-CG1 4.38Å; V141-I144 HydrophobicContact CG1-CD1 4.02Å; V141-I144 WeakPolarHBondContact O-CB 3.31Å; V141-I144 PolarHBondContact O-N 3.08Å; P142-I144 PolarHBondContact O-N 2.8Å; P142-I144 VanDerWaalsContact O-N 3.09Å; I144-Q146 VanDerWaalsContact C-N 3.33Å; I144-R175 HydrophobicContact CD1-CB 4Å; I144-F280 HydrophobicContact CD1-CB 4.17Å; I144-F280 HydrophobicContact CD1-CD2 3.74Å; I144-F280 HydrophobicContact CD1-CG 4.2Å; I144-V286 HydrophobicContact CG1-CG2 3.77Å; I144-V286 HydrophobicContact CG2-CG1 4.36Å; I144-V286 HydrophobicContact CG2-CG2 4.36Å
145E81.8Confident91.5Very high158 Ų15873.4 Ų73.474%0.73838%0.381SS*.THydrogen-bonded Turntrans-77.1-18.3179.9-60.9-180174.500112.9D143D143-E145 PolarHBondContact O-N 3.37Å
146Q80.9Confident91.2Very high109 Ų10969.8 Ų69.851%0.50936%0.363SS..SBendtrans-68143179.6-61.5-173.515.100110.3D143 I144 S148 R175D143-Q146 HydrophobicContact CB-CG 4.05Å; D143-Q146 WeakPolarHBondContact O-CB 3.49Å; D143-Q146 PolarHBondContact O-N 3.02Å; D143-Q146 VanDerWaalsContact O-N 3.11Å; D143-Q146 PolarHBondContact OD1-NE2 2.68Å; I144-Q146 VanDerWaalsContact C-N 3.33Å; Q146-S148 PolarHBondContact O-N 3.07Å; Q146-R175 WeakPolarHBondContact O-CD 3.11Å; Q146-R175 VanDerWaalsContact O-CG 3.25Å; Q146-R175 WeakPolarHBondContact O-CG 3.42Å
147Q74.8Confident90.8Very high147 Ų14772.7 Ų72.769%0.68739%0.385SS*.PPolyproline II helixtrans-60.9130.1173.1-70.9-179.6-0.700110.4C149Q147-C149 PolarHBondContact O-N 3.45Å
148S87.3Confident90.1Very high6 Ų673.1 Ų73.14%0.04239%0.385CS..EExtended strand (participates in β ladder)trans-76116.7171.5-147.50000108.6Q146 R171 S172Q146-S148 PolarHBondContact O-N 3.07Å; S148-R171 WeakPolarHBondContact O-CA 3.27Å; S148-S172 WeakPolarHBondContact CB-OG 3.32Å; S148-S172 PolarHBondContact O-N 2.8Å
149C93.1Very high89Confident53 Ų5379.4 Ų79.436%0.35842%0.418SS..EExtended strand (participates in β ladder)trans-142.6132.8176.2179.70000110Q147 T170 R171Q147-C149 PolarHBondContact O-N 3.45Å; C149-T170 WeakPolarHBondContact CA-O 3.42Å; C149-R171 HydrophobicContact CB-CG 4.02Å; C149-R171 VanDerWaalsContact SG-CZ 3.59Å; C149-R171 PolarHBondContact SG-NH1 3.07Å
150A96Very high87.9Confident22 Ų2285.9 Ų85.918%0.18245%0.452CS..EExtended strand (participates in β ladder)trans-139.1147174.600000110.1K169 T170 V275 L277A150-K169 CarbonylContact O-C 3.53Å; A150-K169 WeakPolarHBondContact O-CA 3.4Å; A150-T170 PolarHBondContact N-O 2.79Å; A150-T170 PolarHBondContact O-N 2.85Å; A150-V275 HydrophobicContact CB-CG2 3.41Å; A150-V275 VanDerWaalsContact CB-CG2 3.41Å; A150-L277 HydrophobicContact CB-CD2 3.51Å; A150-L277 HydrophobicContact CB-CG 4.44Å
151V96.8Very high86.6Confident74 Ų7485.2 Ų85.245%0.44846%0.457SS..EExtended strand (participates in β ladder)trans-131.2136.5-178.1-172.60000109.2M167 L168 K169V151-M167 HydrophobicContact CG1-CG 3.8Å; V151-M167 HydrophobicContact CG1-SD 4.14Å; V151-L168 CarbonylContact C-O 3.58Å; V151-L168 WeakPolarHBondContact CA-O 3.31Å; V151-K169 HydrophobicContact CB-CB 4.42Å; V151-K169 HydrophobicContact CG1-CB 4.15Å; V151-K169 HydrophobicContact CG2-CB 3.82Å; V151-K169 HydrophobicContact CG2-CD 3.69Å; V151-K169 HydrophobicContact CG2-CG 3.71Å
152T97Very high86Confident50 Ų5089.9 Ų89.931%0.30748%0.476SS..EExtended strand (participates in β ladder)trans-132.3128.1172.4-66.40000109.3M167 L168 T273 V274T152-M167 WeakPolarHBondContact O-CA 3.4Å; T152-L168 PolarHBondContact N-O 3.02Å; T152-L168 PolarHBondContact O-N 2.99Å; T152-T273 HydrophobicContact CG2-CG2 3.93Å; T152-V274 PolarHBondContact OG1-O 2.84Å
153T96.1Very high85.9Confident83 Ų8390 Ų9051%0.50948%0.475SS..EExtended strand (participates in β ladder)trans-115119.5175.8-590000109.1T165 L166T153-T165 HydrophobicContact CG2-CG2 3.44Å; T153-T165 VanDerWaalsContact CG2-CG2 3.44Å; T153-L166 CarbonylContact C-O 3.54Å; T153-L166 WeakPolarHBondContact CA-O 3.43Å
154K94.5Very high86.1Confident81 Ų8185.6 Ų85.635%0.35245%0.452SS..EExtended strand (participates in β ladder)trans-113.4125177.6-173.7171-177.9168.90110.4T165 L166 E272 T273K154-T165 WeakPolarHBondContact O-CA 3.38Å; K154-L166 PolarHBondContact N-O 2.65Å; K154-L166 PolarHBondContact O-N 2.86Å; K154-E272 WeakPolarHBondContact CD-O 3.35Å; K154-E272 WeakPolarHBondContact CE-O 3.29Å; K154-E272 PolarHBondContact NZ-O 3.18Å; K154-T273 HydrophobicContact CB-CG2 4.36Å; K154-T273 WeakPolarHBondContact CB-OG1 3.5Å; K154-T273 VanDerWaalsContact CD-OG1 3.3Å; K154-T273 WeakPolarHBondContact CD-OG1 3.2Å
155K93.4Very high86.4Confident170 Ų17087.2 Ų87.274%0.73946%0.462SS*.EExtended strand (participates in β ladder)trans-88.9137.7164.7-66.5-176.5179178.20108.9G164 T165K155-G164 WeakPolarHBondContact CA-O 3.4Å; K155-T165 HydrophobicContact CG-CG2 4.3Å
156F90Very high87Confident30 Ų3079.7 Ų79.713%0.13243%0.427CS..EExtended strand (participates in β ladder)trans-145150.5178.966.1-80000110.7Y158 T163 G164 L166 S193 P271F156-Y158 HydrophobicContact CD2-CD1 4.24Å; F156-Y158 AromaticContact CE2-CD1 3.87Å; F156-Y158 HydrophobicContact CE2-CD1 3.87Å; F156-Y158 HydrophobicContact CE2-CG 4.49Å; F156-T163 WeakPolarHBondContact O-CA 3.39Å; F156-G164 WeakPolarHBondContact CD1-O 3.39Å; F156-G164 PolarHBondContact N-O 3.33Å; F156-G164 PolarHBondContact O-N 2.91Å; F156-L166 HydrophobicContact CE1-CB 4.09Å; F156-S193 VanDerWaalsContact CZ-CB 3.47Å; F156-P271 HydrophobicContact CB-CB 4.39Å; F156-P271 HydrophobicContact CD1-CB 4.12Å; F156-P271 HydrophobicContact CD1-CG 3.68Å; F156-P271 HydrophobicContact CD2-CB 4.1Å; F156-P271 HydrophobicContact CD2-CG 4.23Å; F156-P271 HydrophobicContact CE1-CB 4.42Å; F156-P271 HydrophobicContact CE1-CG 3.59Å; F156-P271 HydrophobicContact CE2-CB 4.38Å; F156-P271 HydrophobicContact CE2-CG 4.13Å; F156-P271 HydrophobicContact CG-CB 3.94Å; F156-P271 HydrophobicContact CG-CG 4.01Å; F156-P271 HydrophobicContact CZ-CG 3.79Å
157S86.3Confident87.8Confident95 Ų9576.6 Ų76.666%0.66441%0.413SS*.EExtended strand (participates in β ladder)trans-98.8143.3175.8-57.20000110.3K162S157-K162 CarbonylContact C-O 3.52Å; S157-K162 VanDerWaalsContact CA-O 3.27Å; S157-K162 WeakPolarHBondContact CA-O 3.39Å
158Y80Confident88.9Confident39 Ų3969.6 Ų69.615%0.15338%0.38CS..EExtended strand (participates in β ladder)trans-142.5152.1175.463.7-80.4000109.3F156 K162 G194F156-Y158 HydrophobicContact CD2-CD1 4.24Å; F156-Y158 AromaticContact CE2-CD1 3.87Å; F156-Y158 HydrophobicContact CE2-CD1 3.87Å; F156-Y158 HydrophobicContact CE2-CG 4.49Å; Y158-K162 HydrophobicContact CD1-CB 4.29Å; Y158-K162 HydrophobicContact CD2-CB 4.11Å; Y158-K162 HydrophobicContact CE1-CB 3.88Å; Y158-K162 HydrophobicContact CE2-CB 3.69Å; Y158-K162 HydrophobicContact CE2-CD 3.81Å; Y158-K162 HydrophobicContact CE2-CG 4.39Å; Y158-K162 HydrophobicContact CG-CB 4.38Å; Y158-K162 PolarHBondContact N-O 2.72Å; Y158-K162 WeakPolarHBondContact O-CA 3.5Å; Y158-K162 WeakPolarHBondContact O-CB 3.42Å; Y158-K162 PolarHBondContact O-N 3.03Å; Y158-K162 VanDerWaalsContact O-N 3.09Å; Y158-K162 VanDerWaalsContact O-O 3.05Å; Y158-G194 WeakPolarHBondContact OH-CA 3.48Å; Y158-G194 PolarHBondContact OH-N 3.14Å
159L73.4Confident89.3Confident132 Ų13271.2 Ų71.269%0.69139%0.386SS*.G310 helixtrans49.862.8179-63171.2000113.1V161L159-V161 PolarHBondContact O-N 3.31Å
160L71.4Confident89.5Confident185 Ų18568.7 Ų68.797%0.96937%0.369SS*.G310 helixtrans56-24.7172.7-72.7160.8000118.3
161V66.6Low89.6Confident132 Ų13271.5 Ų71.580%0.838%0.375SS*.G310 helixtrans-151.6-11.7-174.5-106.90000114.6L159L159-V161 PolarHBondContact O-N 3.31Å
162K80.9Confident89.5Confident118 Ų11868.2 Ų68.251%0.51336%0.356SS..EExtended strand (participates in β ladder)trans-84.7139.5-179.2-60.4-176.5178.3-179.20110.3S157 Y158S157-K162 CarbonylContact C-O 3.52Å; S157-K162 VanDerWaalsContact CA-O 3.27Å; S157-K162 WeakPolarHBondContact CA-O 3.39Å; Y158-K162 HydrophobicContact CD1-CB 4.29Å; Y158-K162 HydrophobicContact CD2-CB 4.11Å; Y158-K162 HydrophobicContact CE1-CB 3.88Å; Y158-K162 HydrophobicContact CE2-CB 3.69Å; Y158-K162 HydrophobicContact CE2-CD 3.81Å; Y158-K162 HydrophobicContact CE2-CG 4.39Å; Y158-K162 HydrophobicContact CG-CB 4.38Å; Y158-K162 PolarHBondContact N-O 2.72Å; Y158-K162 WeakPolarHBondContact O-CA 3.5Å; Y158-K162 WeakPolarHBondContact O-CB 3.42Å; Y158-K162 PolarHBondContact O-N 3.03Å; Y158-K162 VanDerWaalsContact O-N 3.09Å; Y158-K162 VanDerWaalsContact O-O 3.05Å
163T87.3Confident89.3Confident106 Ų10668.4 Ų68.465%0.6536%0.355SS*.EExtended strand (participates in β ladder)trans-111143.5173.653.50000110F156F156-T163 WeakPolarHBondContact O-CA 3.39Å
164G92Very high89.1Confident1 Ų165.7 Ų65.71%0.0134%0.337CS..EExtended strand (participates in β ladder)trans-128.8152.517700000109.6K155 F156 K192K155-G164 WeakPolarHBondContact CA-O 3.4Å; F156-G164 WeakPolarHBondContact CD1-O 3.39Å; F156-G164 PolarHBondContact N-O 3.33Å; F156-G164 PolarHBondContact O-N 2.91Å; G164-K192 WeakPolarHBondContact CA-O 3.42Å
165T94.2Very high89Confident40 Ų4064.1 Ų64.125%0.24533%0.328CS..EExtended strand (participates in β ladder)trans-121.9129.4172.7-55.50000109.2T153 K154 K155 K192T153-T165 HydrophobicContact CG2-CG2 3.44Å; T153-T165 VanDerWaalsContact CG2-CG2 3.44Å; K154-T165 WeakPolarHBondContact O-CA 3.38Å; K155-T165 HydrophobicContact CG-CG2 4.3Å; T165-K192 PolarHBondContact N-O 3.06Å; T165-K192 CarbonylContact O-C 3.59Å; T165-K192 VanDerWaalsContact O-CA 3.31Å; T165-K192 WeakPolarHBondContact O-CA 3.28Å; T165-K192 WeakPolarHBondContact O-CB 3.39Å; T165-K192 PolarHBondContact O-N 2.94Å
166L95.6Very high89.1Confident0 Ų056 Ų560%029%0.293CS..EExtended strand (participates in β ladder)trans-114.3125.6173.9-178.565.6000108.3T153 K154 F156 I189 H190 N191 T197 L268 P271 T273T153-L166 CarbonylContact C-O 3.54Å; T153-L166 WeakPolarHBondContact CA-O 3.43Å; K154-L166 PolarHBondContact N-O 2.65Å; K154-L166 PolarHBondContact O-N 2.86Å; F156-L166 HydrophobicContact CE1-CB 4.09Å; L166-I189 HydrophobicContact CD1-CG2 3.85Å; L166-H190 WeakPolarHBondContact CA-O 3.41Å; L166-N191 HydrophobicContact CD1-CB 4.24Å; L166-T197 HydrophobicContact CD1-CG2 3.86Å; L166-L268 HydrophobicContact CD1-CD1 3.98Å; L166-L268 HydrophobicContact CD2-CB 4.38Å; L166-L268 HydrophobicContact CD2-CD1 3.58Å; L166-L268 HydrophobicContact CG-CD1 4.1Å; L166-P271 HydrophobicContact CB-CG 4.43Å; L166-P271 HydrophobicContact CD2-CG 3.6Å; L166-T273 HydrophobicContact CD2-CG2 4.5Å
167M96.9Very high89.4Confident45 Ų4554.6 Ų54.622%0.22229%0.287CS..EExtended strand (participates in β ladder)trans-111.9131.2170.3-176-17181.500108.9V151 T152 K169 I189 H190V151-M167 HydrophobicContact CG1-CG 3.8Å; V151-M167 HydrophobicContact CG1-SD 4.14Å; T152-M167 WeakPolarHBondContact O-CA 3.4Å; M167-K169 HydrophobicContact CE-CB 4.46Å; M167-I189 WeakPolarHBondContact O-CA 3.41Å; M167-H190 HydrophobicContact CB-CB 4.17Å; M167-H190 HydrophobicContact CE-CB 4.31Å; M167-H190 WeakPolarHBondContact CE-CD2 3.47Å; M167-H190 VanDerWaalsContact CE-NE2 3.27Å; M167-H190 WeakPolarHBondContact CE-NE2 3.23Å; M167-H190 PolarHBondContact N-O 2.92Å; M167-H190 PolarHBondContact O-N 2.74Å
168L97.1Very high89.9Confident0 Ų051 Ų510%026%0.261CS..EExtended strand (participates in β ladder)trans-120.6116.4175.9-17364.8000107.8V151 T152 T187 I189 V266 L268 T273 V275V151-L168 CarbonylContact C-O 3.58Å; V151-L168 WeakPolarHBondContact CA-O 3.31Å; T152-L168 PolarHBondContact N-O 3.02Å; T152-L168 PolarHBondContact O-N 2.99Å; L168-T187 HydrophobicContact CD1-CG2 3.28Å; L168-T187 HydrophobicContact CG-CG2 4.26Å; L168-I189 HydrophobicContact CD1-CD1 4.38Å; L168-I189 HydrophobicContact CD1-CG1 3.71Å; L168-V266 HydrophobicContact CD1-CG1 4.47Å; L168-V266 HydrophobicContact CD2-CG1 4.25Å; L168-L268 HydrophobicContact CD1-CD1 4.12Å; L168-T273 HydrophobicContact CB-CG2 4.2Å; L168-T273 HydrophobicContact CD2-CG2 4.34Å; L168-V275 HydrophobicContact CD2-CB 4.15Å; L168-V275 HydrophobicContact CD2-CG1 3.56Å; L168-V275 HydrophobicContact CG-CB 4.44Å; L168-V275 HydrophobicContact CG-CG1 3.77Å
169K97.4Very high90.7Very high39 Ų3951.9 Ų51.917%0.1727%0.271CS..EExtended strand (participates in β ladder)trans-122.4116.4178.4164.4163170.2-112.90108.5A150 V151 M167 T187 E188A150-K169 CarbonylContact O-C 3.53Å; A150-K169 WeakPolarHBondContact O-CA 3.4Å; V151-K169 HydrophobicContact CB-CB 4.42Å; V151-K169 HydrophobicContact CG1-CB 4.15Å; V151-K169 HydrophobicContact CG2-CB 3.82Å; V151-K169 HydrophobicContact CG2-CD 3.69Å; V151-K169 HydrophobicContact CG2-CG 3.71Å; M167-K169 HydrophobicContact CE-CB 4.46Å; K169-T187 CarbonylContact O-C 3.51Å; K169-T187 VanDerWaalsContact O-CA 3.32Å; K169-T187 WeakPolarHBondContact O-CA 3.38Å; K169-E188 HydrophobicContact CB-CB 4.15Å; K169-E188 WeakPolarHBondContact CD-OE2 3.49Å; K169-E188 HydrophobicContact CG-CB 4.48Å; K169-E188 PolarHBondContact N-O 2.96Å; K169-E188 IonicContact NZ-OE1 3.66Å; K169-E188 PolarHBondContact NZ-OE1 2.81Å; K169-E188 IonicContact NZ-OE2 2.74Å; K169-E188 PolarHBondContact NZ-OE2 2.91Å; K169-E188 PolarHBondContact O-N 3.34Å
170T97.5Very high91.7Very high0 Ų048.4 Ų48.40%027%0.267CS..EExtended strand (participates in β ladder)trans-117.7139.6-176.1-58.80000109.8C149 A150 L185 S186 T187 V266 V275 L277C149-T170 WeakPolarHBondContact CA-O 3.42Å; A150-T170 PolarHBondContact N-O 2.79Å; A150-T170 PolarHBondContact O-N 2.85Å; T170-L185 HydrophobicContact CG2-CD1 3.36Å; T170-L185 HydrophobicContact CG2-CD2 4.38Å; T170-L185 HydrophobicContact CG2-CG 3.91Å; T170-S186 CarbonylContact C-O 3.57Å; T170-S186 WeakPolarHBondContact CA-O 3.25Å; T170-T187 PolarHBondContact OG1-OG1 2.78Å; T170-V266 HydrophobicContact CG2-CB 4.39Å; T170-V266 HydrophobicContact CG2-CG2 3.54Å; T170-V275 WeakPolarHBondContact OG1-CG1 3.48Å; T170-L277 HydrophobicContact CG2-CD1 3.42Å; T170-L277 VanDerWaalsContact CG2-CD1 3.42Å; T170-L277 HydrophobicContact CG2-CG 4.24Å
171R96.4Very high92.9Very high81 Ų8142.1 Ų42.131%0.30623%0.233SC..EExtended strand (participates in β ladder)trans-130.1145177.2-60.2177.7-179.3-86.39.9110.5S148 C149 L185 S186 E188S148-R171 WeakPolarHBondContact O-CA 3.27Å; C149-R171 HydrophobicContact CB-CG 4.02Å; C149-R171 VanDerWaalsContact SG-CZ 3.59Å; C149-R171 PolarHBondContact SG-NH1 3.07Å; R171-L185 WeakPolarHBondContact O-CA 3.36Å; R171-S186 PolarHBondContact N-O 2.87Å; R171-S186 PolarHBondContact O-N 2.74Å; R171-E188 IonicContact NE-OE1 3.64Å
172S95.1Very high94.2Very high6 Ų638.7 Ų38.74%0.04221%0.21CC..EExtended strand (participates in β ladder)trans-118.1154.4165.463.60000110.9S148 Q174 R184S148-S172 WeakPolarHBondContact CB-OG 3.32Å; S148-S172 PolarHBondContact O-N 2.8Å; S172-Q174 VanDerWaalsContact C-N 3.3Å; S172-Q174 PolarHBondContact O-N 2.85Å; S172-Q174 PolarHBondContact OG-O 3.19Å; S172-R184 VanDerWaalsContact CA-O 3.28Å; S172-R184 WeakPolarHBondContact CA-O 3.42Å
173D92.6Very high94.9Very high54 Ų5433 Ų3329%0.28919%0.185SC..SBendtrans-65.7-33.4-179.160.4-34.6000112.9Y177 R184D173-Y177 PolarHBondContact OD1-OH 3.48Å; D173-R184 HydrophobicContact CB-CB 4.05Å; D173-R184 PolarHBondContact N-O 3.39Å; D173-R184 VanDerWaalsContact N-O 3.09Å; D173-R184 PolarHBondContact OD1-N 2.94Å; D173-R184 IonicContact OD2-CZ 2.71Å; D173-R184 IonicContact OD2-NH1 2.74Å; D173-R184 PolarHBondContact OD2-NH1 2.88Å
174Q91.6Very high95.3Very high26 Ų2634 Ų3412%0.12118%0.177CC..  trans-136.4168.5175.9-65.6172.672.500111.7S172 Y177S172-Q174 VanDerWaalsContact C-N 3.3Å; S172-Q174 PolarHBondContact O-N 2.85Å; S172-Q174 PolarHBondContact OG-O 3.19Å; Q174-Y177 VanDerWaalsContact C-OH 3.32Å; Q174-Y177 HydrophobicContact CB-CE1 3.96Å; Q174-Y177 HydrophobicContact CB-CE2 4.39Å; Q174-Y177 PolarHBondContact N-OH 2.83Å; Q174-Y177 WeakPolarHBondContact O-CE2 3.44Å; Q174-Y177 PolarHBondContact O-OH 3.17Å
175R93.4Very high95.5Very high47 Ų4734.2 Ų34.218%0.17718%0.178CC..SBendtrans-100.9-19.4170-68.7177.671-166.52.3113.1D143 I144 Q146 I279 F280D143-R175 PolarHBondContact O-NH1 2.93Å; I144-R175 HydrophobicContact CD1-CB 4Å; Q146-R175 WeakPolarHBondContact O-CD 3.11Å; Q146-R175 VanDerWaalsContact O-CG 3.25Å; Q146-R175 WeakPolarHBondContact O-CG 3.42Å; R175-I279 CarbonylContact O-C 3.49Å; R175-I279 VanDerWaalsContact O-CA 3.27Å; R175-I279 WeakPolarHBondContact O-CA 3.34Å; R175-F280 PolarHBondContact O-N 3.2Å
176G95.6Very high95.7Very high0 Ų033.3 Ų33.30%017%0.173CC..EExtended strand (participates in β ladder)trans-122137.4-179.800000111.4F280G176-F280 CarbonylContact C-O 3.55Å; G176-F280 WeakPolarHBondContact CA-O 3.33Å
177Y96.1Very high95.8Very high0 Ų033.3 Ų33.30%017%0.173CC..EExtended strand (participates in β ladder)trans-137.6152.8179.4-56-91.6000110.8D173 Q174 Q181 I183 V244 I279 F280 I281 G282D173-Y177 PolarHBondContact OD1-OH 3.48Å; Q174-Y177 VanDerWaalsContact C-OH 3.32Å; Q174-Y177 HydrophobicContact CB-CE1 3.96Å; Q174-Y177 HydrophobicContact CB-CE2 4.39Å; Q174-Y177 PolarHBondContact N-OH 2.83Å; Q174-Y177 WeakPolarHBondContact O-CE2 3.44Å; Q174-Y177 PolarHBondContact O-OH 3.17Å; Y177-Q181 HydrophobicContact CD1-CB 4.39Å; Y177-I183 HydrophobicContact CD1-CG1 3.8Å; Y177-I183 HydrophobicContact CD2-CD1 4.28Å; Y177-I183 HydrophobicContact CD2-CG1 4.02Å; Y177-I183 HydrophobicContact CE1-CB 4.08Å; Y177-I183 HydrophobicContact CE1-CG1 3.74Å; Y177-I183 HydrophobicContact CE1-CG2 4.35Å; Y177-I183 HydrophobicContact CE2-CD1 4.36Å; Y177-I183 HydrophobicContact CE2-CG1 3.99Å; Y177-I183 HydrophobicContact CE2-CG2 4.32Å; Y177-I183 HydrophobicContact CG-CG1 3.94Å; Y177-V244 HydrophobicContact CG-CG2 4.25Å; Y177-I279 HydrophobicContact CD2-CB 4.4Å; Y177-I279 HydrophobicContact CD2-CD1 4.4Å; Y177-I279 HydrophobicContact CE2-CB 4.33Å; Y177-I279 HydrophobicContact CE2-CG2 4.1Å; Y177-F280 PolarHBondContact N-O 2.73Å; Y177-I281 CarbonylContact O-C 3.5Å; Y177-I281 VanDerWaalsContact O-CA 3.27Å; Y177-I281 WeakPolarHBondContact O-CA 3.44Å; Y177-G282 PolarHBondContact O-N 3.39Å
178V96.9Very high95.8Very high20 Ų2033.1 Ų33.112%0.12117%0.172CC..  trans-108.3155.5166.3-57.20000109.8L138 G180 Q181 G282 P285L138-V178 HydrophobicContact CD1-CG1 4.07Å; V178-G180 PolarHBondContact O-N 2.82Å; V178-Q181 HydrophobicContact CG2-CG 3.8Å; V178-Q181 WeakPolarHBondContact O-CB 3.39Å; V178-Q181 PolarHBondContact O-N 3.11Å; V178-Q181 VanDerWaalsContact O-N 3.09Å; V178-G282 WeakPolarHBondContact CG1-O 3.44Å; V178-P285 HydrophobicContact CG1-CB 4.08Å; V178-P285 HydrophobicContact CG2-CB 4.27Å
179P96.5Very high95.8Very high57 Ų5733.1 Ų33.137%0.3717%0.172SC..THydrogen-bonded Turntrans-48.6135.1173.9-30.137.3000112.8G282P179-G282 WeakPolarHBondContact CD-O 3.42Å
180G95.2Very high95.8Very high59 Ų5933.6 Ų33.661%0.60818%0.175SC*.THydrogen-bonded Turntrans92.1-15.3-175.900000115.1V178 V244V178-G180 PolarHBondContact O-N 2.82Å; G180-V244 PolarHBondContact N-O 3.43Å
181Q95Very high95.7Very high53 Ų5333.7 Ų33.725%0.24818%0.175CC..  trans-75.6157.6174.5-71.9-175.5-31.100112.6Y177 V178 V244Y177-Q181 HydrophobicContact CD1-CB 4.39Å; V178-Q181 HydrophobicContact CG2-CG 3.8Å; V178-Q181 WeakPolarHBondContact O-CB 3.39Å; V178-Q181 PolarHBondContact O-N 3.11Å; V178-Q181 VanDerWaalsContact O-N 3.09Å; Q181-V244 WeakPolarHBondContact O-CG2 3.29Å; Q181-V244 PolarHBondContact O-N 2.86Å
182L95.6Very high95.6Very high60 Ų6037.1 Ų37.131%0.31419%0.192SC..EExtended strand (participates in β ladder)trans-94.6125.8174-69.9162.9000110Q241 I243L182-Q241 HydrophobicContact CD2-CB 4.19Å; L182-I243 HydrophobicContact CD2-CB 4.45Å; L182-I243 HydrophobicContact CD2-CD1 4.45Å; L182-I243 HydrophobicContact CD2-CG1 3.43Å; L182-I243 VanDerWaalsContact CD2-CG1 3.43Å
183I95.6Very high95.5Very high0 Ų037.3 Ų37.30%019%0.193CC..EExtended strand (participates in β ladder)trans-83114.6165.2-55.2179.6000107.1Y177 L204 Q241 I242 V244 I264 I279Y177-I183 HydrophobicContact CD1-CG1 3.8Å; Y177-I183 HydrophobicContact CD2-CD1 4.28Å; Y177-I183 HydrophobicContact CD2-CG1 4.02Å; Y177-I183 HydrophobicContact CE1-CB 4.08Å; Y177-I183 HydrophobicContact CE1-CG1 3.74Å; Y177-I183 HydrophobicContact CE1-CG2 4.35Å; Y177-I183 HydrophobicContact CE2-CD1 4.36Å; Y177-I183 HydrophobicContact CE2-CG1 3.99Å; Y177-I183 HydrophobicContact CE2-CG2 4.32Å; Y177-I183 HydrophobicContact CG-CG1 3.94Å; I183-L204 HydrophobicContact CD1-CD1 4.43Å; I183-Q241 CarbonylContact O-C 3.59Å; I183-Q241 VanDerWaalsContact O-CA 3.29Å; I183-Q241 WeakPolarHBondContact O-CA 3.28Å; I183-I242 HydrophobicContact CB-CB 4.33Å; I183-I242 PolarHBondContact N-O 2.78Å; I183-I242 PolarHBondContact O-N 2.82Å; I183-V244 HydrophobicContact CD1-CG2 3.79Å; I183-V244 HydrophobicContact CG1-CG2 3.68Å; I183-I264 HydrophobicContact CD1-CD1 3.89Å; I183-I264 HydrophobicContact CG2-CG1 4.41Å; I183-I279 HydrophobicContact CD1-CD1 3.73Å
184R95.8Very high95.4Very high126 Ų12637.2 Ų37.248%0.47521%0.206SC..EExtended strand (participates in β ladder)trans-96.3115.3176.3-57.5-177.2-179.693.2-3.8109.6S172 D173 Q241S172-R184 VanDerWaalsContact CA-O 3.28Å; S172-R184 WeakPolarHBondContact CA-O 3.42Å; D173-R184 HydrophobicContact CB-CB 4.05Å; D173-R184 PolarHBondContact N-O 3.39Å; D173-R184 VanDerWaalsContact N-O 3.09Å; D173-R184 PolarHBondContact OD1-N 2.94Å; D173-R184 IonicContact OD2-CZ 2.71Å; D173-R184 IonicContact OD2-NH1 2.74Å; D173-R184 PolarHBondContact OD2-NH1 2.88Å; R184-Q241 HydrophobicContact CG-CG 4.34Å
185L96.3Very high95.4Very high6 Ų641.2 Ų41.23%0.03122%0.223CC..EExtended strand (participates in β ladder)trans-103.1136.9-176.7-162.772.7000110.3T170 R171 A202 W238 K239 E240 I264 V266 L277T170-L185 HydrophobicContact CG2-CD1 3.36Å; T170-L185 HydrophobicContact CG2-CD2 4.38Å; T170-L185 HydrophobicContact CG2-CG 3.91Å; R171-L185 WeakPolarHBondContact O-CA 3.36Å; L185-A202 HydrophobicContact CD2-CB 3.49Å; L185-A202 VanDerWaalsContact CD2-CB 3.49Å; L185-W238 HydrophobicContact CD2-CZ3 4.31Å; L185-K239 VanDerWaalsContact O-CA 3.29Å; L185-K239 WeakPolarHBondContact O-CA 3.41Å; L185-E240 PolarHBondContact N-O 3.03Å; L185-E240 PolarHBondContact O-N 2.91Å; L185-I264 HydrophobicContact CD1-CG2 3.94Å; L185-I264 HydrophobicContact CD2-CG2 4.34Å; L185-V266 HydrophobicContact CD1-CG2 4.46Å; L185-V266 HydrophobicContact CD2-CG2 3.82Å; L185-L277 HydrophobicContact CD1-CD1 4.12Å
186S96.9Very high95.5Very high21 Ų2142.2 Ų42.215%0.14723%0.231CC..EExtended strand (participates in β ladder)trans-127128.3164.3162.40000109T170 R171 E237 W238T170-S186 CarbonylContact C-O 3.57Å; T170-S186 WeakPolarHBondContact CA-O 3.25Å; R171-S186 PolarHBondContact N-O 2.87Å; R171-S186 PolarHBondContact O-N 2.74Å; S186-E237 PolarHBondContact OG-OE1 3.44Å; S186-W238 CarbonylContact C-O 3.52Å; S186-W238 WeakPolarHBondContact CA-O 3.43Å
187T97.4Very high95.4Very high0 Ų042.9 Ų42.90%024%0.235CC..EExtended strand (participates in β ladder)trans-124.4111.3-179-62.70000110L168 K169 T170 I189 E237 W238 V266L168-T187 HydrophobicContact CD1-CG2 3.28Å; L168-T187 HydrophobicContact CG-CG2 4.26Å; K169-T187 CarbonylContact O-C 3.51Å; K169-T187 VanDerWaalsContact O-CA 3.32Å; K169-T187 WeakPolarHBondContact O-CA 3.38Å; T170-T187 PolarHBondContact OG1-OG1 2.78Å; T187-I189 HydrophobicContact CG2-CD1 4.26Å; T187-I189 HydrophobicContact CG2-CG1 3.82Å; T187-E237 CarbonylContact O-C 3.59Å; T187-E237 WeakPolarHBondContact O-CA 3.33Å; T187-W238 PolarHBondContact N-O 3.19Å; T187-W238 PolarHBondContact O-N 2.88Å; T187-V266 HydrophobicContact CG2-CG1 4.01Å
188E97.6Very high95.3Very high41 Ų4143.8 Ų43.819%0.19225%0.245CC..EExtended strand (participates in β ladder)trans-85126.9169.8-64.4166.1-142.900109.4K169 R171K169-E188 HydrophobicContact CB-CB 4.15Å; K169-E188 WeakPolarHBondContact CD-OE2 3.49Å; K169-E188 HydrophobicContact CG-CB 4.48Å; K169-E188 PolarHBondContact N-O 2.96Å; K169-E188 IonicContact NZ-OE1 3.66Å; K169-E188 PolarHBondContact NZ-OE1 2.81Å; K169-E188 IonicContact NZ-OE2 2.74Å; K169-E188 PolarHBondContact NZ-OE2 2.91Å; K169-E188 PolarHBondContact O-N 3.34Å; R171-E188 IonicContact NE-OE1 3.64Å
189I97.6Very high95.3Very high0 Ų046.6 Ų46.60%025%0.254CS..EExtended strand (participates in β ladder)trans-124.5116.4-178.3-50.2172.3000109.2L166 M167 L168 T187 V200 V230 H235 A236 L268L166-I189 HydrophobicContact CD1-CG2 3.85Å; M167-I189 WeakPolarHBondContact O-CA 3.41Å; L168-I189 HydrophobicContact CD1-CD1 4.38Å; L168-I189 HydrophobicContact CD1-CG1 3.71Å; T187-I189 HydrophobicContact CG2-CD1 4.26Å; T187-I189 HydrophobicContact CG2-CG1 3.82Å; I189-V200 HydrophobicContact CD1-CB 4.15Å; I189-V200 HydrophobicContact CD1-CG1 4.47Å; I189-V200 HydrophobicContact CD1-CG2 4.22Å; I189-V230 HydrophobicContact CB-CG2 3.72Å; I189-V230 HydrophobicContact CD1-CG2 3.72Å; I189-V230 HydrophobicContact CG1-CG2 4.31Å; I189-V230 HydrophobicContact CG2-CB 4.25Å; I189-V230 HydrophobicContact CG2-CG2 3.46Å; I189-V230 VanDerWaalsContact CG2-CG2 3.46Å; I189-H235 WeakPolarHBondContact O-CA 3.42Å; I189-H235 PolarHBondContact O-CD2 2.73Å; I189-A236 PolarHBondContact N-O 3.13Å; I189-A236 PolarHBondContact O-N 3.07Å; I189-L268 HydrophobicContact CD1-CD2 4.41Å; I189-L268 HydrophobicContact CG2-CD1 3.81Å
190H97.1Very high95.3Very high49 Ų4943.9 Ų43.923%0.22724%0.236CC..EExtended strand (participates in β ladder)trans-110.4105176.3-61.4-133.2000109.5L166 M167 K192 H235L166-H190 WeakPolarHBondContact CA-O 3.41Å; M167-H190 HydrophobicContact CB-CB 4.17Å; M167-H190 HydrophobicContact CE-CB 4.31Å; M167-H190 WeakPolarHBondContact CE-CD2 3.47Å; M167-H190 VanDerWaalsContact CE-NE2 3.27Å; M167-H190 WeakPolarHBondContact CE-NE2 3.23Å; M167-H190 PolarHBondContact N-O 2.92Å; M167-H190 PolarHBondContact O-N 2.74Å; H190-K192 PolarHBondContact O-N 2.84Å; H190-H235 AromaticContact CD2-CD2 3.16Å; H190-H235 PolarHBondContact CD2-CD2 3.41Å; H190-H235 AromaticContact CD2-NE2 3.63Å; H190-H235 AromaticContact CE1-CD2 3.52Å; H190-H235 AromaticContact CE1-NE2 3.81Å; H190-H235 AromaticContact CG-CD2 3.6Å; H190-H235 AromaticContact ND1-CD2 3.8Å; H190-H235 AromaticContact NE2-CD2 3.15Å; H190-H235 PolarHBondContact NE2-CD2 3.18Å; H190-H235 AromaticContact NE2-NE2 3.23Å; H190-H235 PolarHBondContact NE2-NE2 3.02Å
191N96.2Very high95.4Very high2 Ų241.8 Ų41.81%0.01121%0.211CC..EExtended strand (participates in β ladder)trans-93.385.1177.3-176.99.1000110.7L166 S193 K195 T197 V230 K231 G233 K234L166-N191 HydrophobicContact CD1-CB 4.24Å; N191-S193 PolarHBondContact O-N 2.88Å; N191-S193 VanDerWaalsContact OD1-CB 3.29Å; N191-S193 WeakPolarHBondContact OD1-CB 3.43Å; N191-S193 PolarHBondContact OD1-N 3.28Å; N191-S193 PolarHBondContact OD1-OG 2.83Å; N191-K195 PolarHBondContact ND2-O 2.74Å; N191-T197 HydrophobicContact CB-CG2 4.05Å; N191-T197 WeakPolarHBondContact ND2-CG2 3.41Å; N191-V230 HydrophobicContact CB-CB 4.35Å; N191-V230 HydrophobicContact CB-CG1 4.12Å; N191-V230 PolarHBondContact ND2-O 2.79Å; N191-K231 PolarHBondContact ND2-O 3.47Å; N191-K231 VanDerWaalsContact ND2-O 3.12Å; N191-G233 CarbonylContact O-C 3.56Å; N191-G233 WeakPolarHBondContact O-CA 3.37Å; N191-G233 PolarHBondContact O-N 2.81Å; N191-K234 PolarHBondContact N-O 2.86Å; N191-K234 PolarHBondContact O-N 2.8Å
192K94.3Very high95.6Very high153 Ų15339.2 Ų39.267%0.66520%0.199SC*.EExtended strand (participates in β ladder)trans-85.456.7171.9-60.4-177179.8-178.30110.3G164 T165 H190G164-K192 WeakPolarHBondContact CA-O 3.42Å; T165-K192 PolarHBondContact N-O 3.06Å; T165-K192 CarbonylContact O-C 3.59Å; T165-K192 VanDerWaalsContact O-CA 3.31Å; T165-K192 WeakPolarHBondContact O-CA 3.28Å; T165-K192 WeakPolarHBondContact O-CB 3.39Å; T165-K192 PolarHBondContact O-N 2.94Å; H190-K192 PolarHBondContact O-N 2.84Å
193S92.5Very high95.7Very high9 Ų936.7 Ų36.76%0.06319%0.186CC..SBendtrans-138.9164.8175.187.40000111.2F156 N191 K195 A232 G233F156-S193 VanDerWaalsContact CZ-CB 3.47Å; N191-S193 PolarHBondContact O-N 2.88Å; N191-S193 VanDerWaalsContact OD1-CB 3.29Å; N191-S193 WeakPolarHBondContact OD1-CB 3.43Å; N191-S193 PolarHBondContact OD1-N 3.28Å; N191-S193 PolarHBondContact OD1-OG 2.83Å; S193-K195 VanDerWaalsContact C-N 3.27Å; S193-K195 PolarHBondContact O-N 3.37Å; S193-K195 PolarHBondContact OG-N 3.09Å; S193-K195 PolarHBondContact OG-O 3.41Å; S193-A232 CarbonylContact O-C 3.53Å; S193-A232 WeakPolarHBondContact O-CA 3.19Å; S193-A232 WeakPolarHBondContact O-CB 3.38Å; S193-G233 PolarHBondContact O-N 2.78Å
194G91Very high95.8Very high53 Ų5336.7 Ų36.755%0.54619%0.186SC..SBendtrans-86.315.3174.600000114.2Y158Y158-G194 WeakPolarHBondContact OH-CA 3.48Å; Y158-G194 PolarHBondContact OH-N 3.14Å
195K91.4Very high95.9Very high110 Ų11031 Ų3148%0.47817%0.165SC..SBendtrans-130.9139.5179.3-167.7-173.8176.8-172.10110.4N191 S193N191-K195 PolarHBondContact ND2-O 2.74Å; S193-K195 VanDerWaalsContact C-N 3.27Å; S193-K195 PolarHBondContact O-N 3.37Å; S193-K195 PolarHBondContact OG-N 3.09Å; S193-K195 PolarHBondContact OG-O 3.41Å
196D94Very high96Very high67 Ų6731.2 Ų31.236%0.35817%0.166SC..  trans-60144.3171.1-68.51.4000110.8V230 K231 A232D196-V230 WeakPolarHBondContact CA-O 3.35Å; D196-K231 VanDerWaalsContact CG-CD 3.49Å; D196-K231 WeakPolarHBondContact OD1-CA 3.09Å; D196-K231 WeakPolarHBondContact OD1-CD 3.48Å; D196-K231 WeakPolarHBondContact OD2-CD 3.5Å; D196-K231 IonicContact OD2-NZ 2.76Å; D196-K231 PolarHBondContact OD2-NZ 2.95Å; D196-A232 PolarHBondContact OD1-N 2.88Å
197T94.6Very high96Very high14 Ų1431.5 Ų31.59%0.08617%0.166CC..  trans-79.4159.6172.376.50000111.2L166 N191 V230 S270L166-T197 HydrophobicContact CD1-CG2 3.86Å; N191-T197 HydrophobicContact CB-CG2 4.05Å; N191-T197 WeakPolarHBondContact ND2-CG2 3.41Å; T197-V230 HydrophobicContact CG2-CB 4.26Å; T197-V230 PolarHBondContact N-O 2.9Å; T197-V230 PolarHBondContact OG1-N 3.32Å; T197-S270 CarbonylContact C-O 3.54Å; T197-S270 WeakPolarHBondContact CA-O 3.31Å
198G94.7Very high96.1Very high19 Ų1931.6 Ų31.620%0.19617%0.166CC..  trans-64.2176.5160.800000111.9G229 L268 S270G198-G229 WeakPolarHBondContact O-CA 3.4Å; G198-L268 WeakPolarHBondContact O-CD2 3.48Å; G198-S270 PolarHBondContact N-O 2.94Å
199Y95.4Very high96.1Very high79 Ų7930.7 Ų30.731%0.3116%0.164SC..  trans-60152.3173.662.3-102.8000111.5L201 E226 G227 K269Y199-L201 HydrophobicContact CD2-CB 4.15Å; Y199-L201 HydrophobicContact CE2-CB 3.96Å; Y199-L201 HydrophobicContact CE2-CD2 4.47Å; Y199-E226 HydrophobicContact CD2-CG 3.56Å; Y199-E226 HydrophobicContact CE2-CG 4.2Å; Y199-E226 HydrophobicContact CG-CG 3.87Å; Y199-G227 WeakPolarHBondContact CA-O 3.41Å; Y199-G227 WeakPolarHBondContact CB-O 3.25Å; Y199-K269 HydrophobicContact CD1-CG 4.48Å; Y199-K269 HydrophobicContact CD2-CG 4.16Å; Y199-K269 HydrophobicContact CE1-CG 3.93Å; Y199-K269 HydrophobicContact CE2-CD 4.33Å; Y199-K269 HydrophobicContact CE2-CG 3.55Å; Y199-K269 VanDerWaalsContact CZ-CG 3.44Å; Y199-K269 VanDerWaalsContact OH-CE 3.29Å; Y199-K269 WeakPolarHBondContact OH-CE 3.31Å
200V97Very high96.1Very high0 Ų030.7 Ų30.70%016%0.164CC..EExtended strand (participates in β ladder)trans-90137.2170.263.20000108.8I189 E226 G227 W238 V266 S267 L268I189-V200 HydrophobicContact CD1-CB 4.15Å; I189-V200 HydrophobicContact CD1-CG1 4.47Å; I189-V200 HydrophobicContact CD1-CG2 4.22Å; V200-E226 CarbonylContact O-C 3.46Å; V200-E226 WeakPolarHBondContact O-CA 3.28Å; V200-G227 PolarHBondContact N-O 2.95Å; V200-G227 PolarHBondContact O-N 3.06Å; V200-W238 HydrophobicContact CB-CE3 4.16Å; V200-W238 HydrophobicContact CB-CZ3 4.26Å; V200-W238 HydrophobicContact CG1-CB 4.5Å; V200-W238 HydrophobicContact CG1-CD2 3.52Å; V200-W238 HydrophobicContact CG1-CE3 3.44Å; V200-W238 VanDerWaalsContact CG1-CE3 3.44Å; V200-W238 HydrophobicContact CG1-CG 4.01Å; V200-W238 HydrophobicContact CG1-CH2 4.15Å; V200-W238 HydrophobicContact CG1-CZ2 4.28Å; V200-W238 HydrophobicContact CG1-CZ3 3.78Å; V200-W238 HydrophobicContact CG2-CE3 3.59Å; V200-W238 HydrophobicContact CG2-CH2 4.47Å; V200-W238 HydrophobicContact CG2-CZ3 3.56Å; V200-V266 HydrophobicContact CG2-CG1 3.63Å; V200-S267 CarbonylContact C-O 3.51Å; V200-S267 WeakPolarHBondContact CA-O 3.41Å; V200-L268 HydrophobicContact CB-CD2 3.87Å; V200-L268 HydrophobicContact CG2-CD2 4.4Å
201L97.8Very high96Very high15 Ų1533.3 Ų33.38%0.07917%0.171CC..EExtended strand (participates in β ladder)trans-130.8121.1179.9-178.572.9000108.6Y199 E224 V225 E226 V266 S267Y199-L201 HydrophobicContact CD2-CB 4.15Å; Y199-L201 HydrophobicContact CE2-CB 3.96Å; Y199-L201 HydrophobicContact CE2-CD2 4.47Å; L201-E224 HydrophobicContact CD1-CB 4.17Å; L201-V225 WeakPolarHBondContact CA-O 3.06Å; L201-E226 HydrophobicContact CD1-CB 4.26Å; L201-V266 CarbonylContact O-C 3.44Å; L201-V266 WeakPolarHBondContact O-CA 3.3Å; L201-S267 PolarHBondContact N-O 2.78Å; L201-S267 PolarHBondContact O-N 3.03Å
202A97.9Very high95.7Very high0 Ų034.3 Ų34.30%018%0.178CC..EExtended strand (participates in β ladder)trans-104.6128.6168.200000110L185 E224 V225 W238 I264 Q265 V266L185-A202 HydrophobicContact CD2-CB 3.49Å; L185-A202 VanDerWaalsContact CD2-CB 3.49Å; A202-E224 WeakPolarHBondContact O-CA 3.42Å; A202-V225 HydrophobicContact CB-CG2 3.72Å; A202-V225 PolarHBondContact N-O 2.83Å; A202-V225 PolarHBondContact O-N 2.83Å; A202-W238 HydrophobicContact CB-CH2 3.8Å; A202-W238 HydrophobicContact CB-CZ3 3.82Å; A202-I264 HydrophobicContact CB-CG2 4.47Å; A202-Q265 CarbonylContact C-O 3.4Å; A202-Q265 WeakPolarHBondContact CA-O 3.37Å; A202-V266 HydrophobicContact CB-CG2 3.89Å
203S98.1Very high95.4Very high7 Ų737.5 Ų37.55%0.04919%0.191CC..EExtended strand (participates in β ladder)trans-122.4126.3-179.9-49.60000109.7A223 E224 I264 Q265S203-A223 CarbonylContact C-O 3.55Å; S203-A223 WeakPolarHBondContact CA-O 2.8Å; S203-E224 PolarHBondContact OG-OE1 2.81Å; S203-I264 WeakPolarHBondContact O-CA 3.35Å; S203-Q265 PolarHBondContact N-O 3.34Å; S203-Q265 PolarHBondContact O-N 2.83Å
204L98.3Very high95.2Very high0 Ų047 Ų470%023%0.226CC..EExtended strand (participates in β ladder)trans-78.6117.6164.1172.460.6000108.1I183 I222 A223 I242 L247 I264 I279I183-L204 HydrophobicContact CD1-CD1 4.43Å; L204-I222 HydrophobicContact CB-CB 4.4Å; L204-I222 HydrophobicContact CD2-CB 4.15Å; L204-I222 HydrophobicContact CD2-CG2 4Å; L204-I222 HydrophobicContact CG-CB 3.99Å; L204-I222 HydrophobicContact CG-CG1 4.43Å; L204-I222 HydrophobicContact CG-CG2 4.4Å; L204-I222 WeakPolarHBondContact O-CB 3.22Å; L204-I222 PolarHBondContact O-N 3.4Å; L204-A223 HydrophobicContact CB-CB 4.33Å; L204-A223 PolarHBondContact N-O 2.76Å; L204-I242 HydrophobicContact CB-CG2 4.41Å; L204-I242 HydrophobicContact CD2-CG2 4.38Å; L204-L247 HydrophobicContact CD2-CD1 4.17Å; L204-I264 HydrophobicContact CB-CD1 3.89Å; L204-I264 HydrophobicContact CD1-CD1 3.63Å; L204-I264 HydrophobicContact CG-CD1 4.33Å; L204-I279 HydrophobicContact CD1-CD1 3.55Å
205V98.2Very high95.3Very high5 Ų548.5 Ų48.53%0.0323%0.226CC..EExtended strand (participates in β ladder)trans-120.4128.9-173-177.90000110.1R220 Y262 F263 Q265V205-R220 WeakPolarHBondContact CA-O 3.28Å; V205-Y262 WeakPolarHBondContact O-CA 3.38Å; V205-F263 PolarHBondContact N-O 2.88Å; V205-F263 PolarHBondContact O-N 3.08Å; V205-Q265 HydrophobicContact CG2-CB 4.4Å
206Q98.2Very high95.5Very high11 Ų1144.7 Ų44.75%0.05121%0.212CC..EExtended strand (participates in β ladder)trans-92.2134.9166.2-176.8-178.7-27.300109.5V208 R219 R220 I222 I260 Y262Q206-V208 HydrophobicContact CG-CG2 4.17Å; Q206-R219 WeakPolarHBondContact O-CA 3.39Å; Q206-R220 PolarHBondContact N-O 3.11Å; Q206-R220 PolarHBondContact O-N 2.94Å; Q206-I222 HydrophobicContact CB-CD1 3.87Å; Q206-I222 HydrophobicContact CB-CG1 3.97Å; Q206-I260 HydrophobicContact CG-CG2 4.12Å; Q206-Y262 HydrophobicContact CB-CD1 3.86Å; Q206-Y262 HydrophobicContact CB-CE1 3.51Å; Q206-Y262 HydrophobicContact CG-CD1 4.17Å; Q206-Y262 HydrophobicContact CG-CE1 3.5Å
207M97.8Very high95.6Very high28 Ų2844.9 Ų44.914%0.13822%0.215CC..EExtended strand (participates in β ladder)trans-123.5116.8171.9179.5-174.5-65.100109.3V217 D218 R219 I260 D261 F263M207-V217 HydrophobicContact CE-CG1 4.43Å; M207-V217 HydrophobicContact CG-CG1 3.5Å; M207-V217 VanDerWaalsContact CG-CG1 3.5Å; M207-V217 HydrophobicContact SD-CG1 3.91Å; M207-D218 CarbonylContact C-O 3.53Å; M207-D218 WeakPolarHBondContact CA-O 3.48Å; M207-R219 HydrophobicContact CE-CG 4.24Å; M207-R219 HydrophobicContact CG-CG 4.23Å; M207-I260 WeakPolarHBondContact O-CA 3.34Å; M207-D261 HydrophobicContact CB-CB 4.45Å; M207-D261 PolarHBondContact N-O 3.24Å; M207-D261 PolarHBondContact O-N 3.16Å; M207-F263 HydrophobicContact CB-CE2 4.06Å; M207-F263 HydrophobicContact CE-CE2 4.02Å; M207-F263 HydrophobicContact SD-CE2 4.24Å
208V98.1Very high95.7Very high1 Ų146.5 Ų46.51%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-104.7118.7171.6-170.80000109.2F100 Q206 Y210 V217 D218 I258 N259 I260F100-V208 HydrophobicContact CE1-CG1 4.17Å; F100-V208 HydrophobicContact CZ-CG1 3.8Å; F100-V208 HydrophobicContact CZ-CG2 4.27Å; Q206-V208 HydrophobicContact CG-CG2 4.17Å; V208-Y210 HydrophobicContact CB-CE2 3.99Å; V208-Y210 HydrophobicContact CG1-CD2 4.31Å; V208-Y210 HydrophobicContact CG1-CE1 4.08Å; V208-Y210 HydrophobicContact CG1-CE2 3.62Å; V208-Y210 VanDerWaalsContact CG1-CZ 3.5Å; V208-V217 WeakPolarHBondContact O-CA 3.26Å; V208-D218 HydrophobicContact CB-CB 4.34Å; V208-D218 PolarHBondContact N-O 2.85Å; V208-D218 PolarHBondContact O-N 2.74Å; V208-I258 HydrophobicContact CG1-CG2 3.8Å; V208-N259 CarbonylContact C-O 3.55Å; V208-N259 VanDerWaalsContact CA-O 3.3Å; V208-N259 WeakPolarHBondContact CA-O 3.45Å; V208-I260 HydrophobicContact CG1-CG1 4.44Å; V208-I260 HydrophobicContact CG2-CG1 4.39Å; V208-I260 HydrophobicContact CG2-CG2 4.46Å
209T97.8Very high95.8Very high23 Ų2351.9 Ų51.914%0.14124%0.238CC..EExtended strand (participates in β ladder)trans-103.7122.1177.9-59.70000110.3R211 P215 V217 I258 N259T209-R211 HydrophobicContact CG2-CG 4.22Å; T209-P215 HydrophobicContact CG2-CB 4.38Å; T209-V217 HydrophobicContact CG2-CG2 4.43Å; T209-I258 WeakPolarHBondContact O-CA 3.15Å; T209-N259 PolarHBondContact N-O 2.8Å; T209-N259 PolarHBondContact O-N 3.04Å
210Y97.1Very high95.8Very high0 Ų051.7 Ų51.70%024%0.237CC..EExtended strand (participates in β ladder)trans-102.1109.4174.2-53.9-94.3000109I51 F100 G102 P103 F104 G105 V208 T212 P215 V216 D218 L257 I258I51-Y210 HydrophobicContact CG2-CD1 4.03Å; F100-Y210 HydrophobicContact CE1-CE1 4.17Å; G102-Y210 WeakPolarHBondContact CA-OH 3.46Å; P103-Y210 VanDerWaalsContact CD-OH 3.32Å; P103-Y210 WeakPolarHBondContact CD-OH 3.39Å; F104-Y210 VanDerWaalsContact C-CE1 3.43Å; F104-Y210 HydrophobicContact CB-CD1 3.78Å; F104-Y210 HydrophobicContact CB-CD2 3.63Å; F104-Y210 HydrophobicContact CB-CE1 3.81Å; F104-Y210 HydrophobicContact CB-CE2 3.67Å; F104-Y210 HydrophobicContact CB-CG 3.68Å; F104-Y210 HydrophobicContact CD2-CD2 4.11Å; F104-Y210 AromaticContact CD2-CE2 3.73Å; F104-Y210 HydrophobicContact CD2-CE2 3.73Å; F104-Y210 HydrophobicContact CG-CD2 4.24Å; F104-Y210 HydrophobicContact CG-CE2 4.17Å; G105-Y210 VanDerWaalsContact N-CE1 3.3Å; V208-Y210 HydrophobicContact CB-CE2 3.99Å; V208-Y210 HydrophobicContact CG1-CD2 4.31Å; V208-Y210 HydrophobicContact CG1-CE1 4.08Å; V208-Y210 HydrophobicContact CG1-CE2 3.62Å; V208-Y210 VanDerWaalsContact CG1-CZ 3.5Å; Y210-T212 PolarHBondContact O-N 2.96Å; Y210-T212 VanDerWaalsContact O-N 3.14Å; Y210-P215 WeakPolarHBondContact O-CA 3.32Å; Y210-V216 HydrophobicContact CD2-CB 4.46Å; Y210-V216 PolarHBondContact N-O 3.16Å; Y210-V216 PolarHBondContact O-N 3.22Å; Y210-D218 HydrophobicContact CE2-CB 3.99Å; Y210-L257 CarbonylContact C-O 3.48Å; Y210-L257 WeakPolarHBondContact CA-O 3.15Å; Y210-I258 HydrophobicContact CD1-CD1 4.21Å; Y210-I258 HydrophobicContact CD1-CG1 3.97Å; Y210-I258 HydrophobicContact CE1-CD1 4.16Å; Y210-I258 HydrophobicContact CE1-CG1 4.32Å; Y210-I258 HydrophobicContact CE1-CG2 4.38Å
211R95.1Very high95.9Very high103 Ų10355.1 Ų55.139%0.38926%0.257SS..  trans-84.487.7-171.2-61-164.5-176.890-0.4111.8I51 T209 R256 L257I51-R211 VanDerWaalsContact CD1-O 3.32Å; I51-R211 WeakPolarHBondContact CD1-O 3.3Å; T209-R211 HydrophobicContact CG2-CG 4.22Å; R211-R256 WeakPolarHBondContact CD-O 3.49Å; R211-R256 PolarHBondContact NH1-O 2.85Å; R211-L257 PolarHBondContact N-O 3.01Å
212T90.3Very high95.8Very high24 Ų2456.3 Ų56.315%0.14726%0.263CS..SBendtrans-102.9-171.9164.472.50000110.7I51 N53 Y210 R214I51-T212 HydrophobicContact CD1-CG2 3.38Å; I51-T212 HydrophobicContact CG1-CG2 3.89Å; N53-T212 VanDerWaalsContact OD1-CG2 3.31Å; N53-T212 WeakPolarHBondContact OD1-CG2 3.38Å; N53-T212 PolarHBondContact OD1-OG1 2.86Å; Y210-T212 PolarHBondContact O-N 2.96Å; Y210-T212 VanDerWaalsContact O-N 3.14Å; T212-R214 PolarHBondContact O-N 2.78Å; T212-R214 VanDerWaalsContact O-N 3.16Å; T212-R214 VanDerWaalsContact OG1-C 3.31Å; T212-R214 PolarHBondContact OG1-N 3.29Å; T212-R214 PolarHBondContact OG1-O 2.91Å
213K87.8Confident95.8Very high219 Ų21956.4 Ų56.495%0.95226%0.264SS*.SBendtrans-54.5-29.4170.2-68.1-176.4-179.3177.90112.8
214R89.9Confident95.7Very high210 Ų21059.6 Ų59.679%0.79228%0.279SS*.SBendtrans-128.794.3173.1-68.7-173.8-174.3-176.71.8107.3T212 V216T212-R214 PolarHBondContact O-N 2.78Å; T212-R214 VanDerWaalsContact O-N 3.16Å; T212-R214 VanDerWaalsContact OG1-C 3.31Å; T212-R214 PolarHBondContact OG1-N 3.29Å; T212-R214 PolarHBondContact OG1-O 2.91Å; R214-V216 PolarHBondContact O-N 3.23Å
215P92.7Very high95.7Very high84 Ų8459.6 Ų59.655%0.54528%0.279SS..  trans-53.4134.1-173-27.534.7000112.2T209 Y210T209-P215 HydrophobicContact CG2-CB 4.38Å; Y210-P215 WeakPolarHBondContact O-CA 3.32Å
216V95.6Very high95.6Very high29 Ų2961.3 Ų61.318%0.17629%0.286CS..EExtended strand (participates in β ladder)trans-95.6132.1170.4179.60000107.3N53 F104 Y210 R214N53-V216 HydrophobicContact CB-CG2 4.44Å; F104-V216 HydrophobicContact CD1-CG1 3.94Å; F104-V216 HydrophobicContact CD2-CG1 3.81Å; F104-V216 HydrophobicContact CE1-CG1 4.01Å; F104-V216 HydrophobicContact CE2-CG1 3.91Å; F104-V216 HydrophobicContact CG-CG1 3.84Å; F104-V216 HydrophobicContact CZ-CG1 4.01Å; Y210-V216 HydrophobicContact CD2-CB 4.46Å; Y210-V216 PolarHBondContact N-O 3.16Å; Y210-V216 PolarHBondContact O-N 3.22Å; R214-V216 PolarHBondContact O-N 3.23Å
217V96.6Very high95.5Very high72 Ų7260.8 Ų60.844%0.43628%0.284SS..EExtended strand (participates in β ladder)trans-119.2116.6179.5-173.90000108.1M207 V208 T209 R219M207-V217 HydrophobicContact CE-CG1 4.43Å; M207-V217 HydrophobicContact CG-CG1 3.5Å; M207-V217 VanDerWaalsContact CG-CG1 3.5Å; M207-V217 HydrophobicContact SD-CG1 3.91Å; V208-V217 WeakPolarHBondContact O-CA 3.26Å; T209-V217 HydrophobicContact CG2-CG2 4.43Å; V217-R219 HydrophobicContact CG1-CG 3.84Å
218D95.9Very high95.3Very high47 Ų4760.4 Ų60.425%0.25129%0.285SS..EExtended strand (participates in β ladder)trans-95.2118.2171.3179.828.9000108.6P103 F104 M207 V208 Y210P103-D218 HydrophobicContact CG-CB 4.49Å; P103-D218 VanDerWaalsContact CG-OD2 3.31Å; P103-D218 WeakPolarHBondContact CG-OD2 3.2Å; F104-D218 HydrophobicContact CD2-CB 4.4Å; F104-D218 HydrophobicContact CE2-CB 4.4Å; M207-D218 CarbonylContact C-O 3.53Å; M207-D218 WeakPolarHBondContact CA-O 3.48Å; V208-D218 HydrophobicContact CB-CB 4.34Å; V208-D218 PolarHBondContact N-O 2.85Å; V208-D218 PolarHBondContact O-N 2.74Å; Y210-D218 HydrophobicContact CE2-CB 3.99Å
219R96.6Very high95.2Very high133 Ų13361.5 Ų61.550%0.50230%0.297SS..EExtended strand (participates in β ladder)trans-117.1123.6-178.7-69.2-175.465.3123.52.4109.2Q206 M207 V217Q206-R219 WeakPolarHBondContact O-CA 3.39Å; M207-R219 HydrophobicContact CE-CG 4.24Å; M207-R219 HydrophobicContact CG-CG 4.23Å; V217-R219 HydrophobicContact CG1-CG 3.84Å
220R96Very high95.1Very high75 Ų7560.6 Ų60.628%0.28329%0.291SS..EExtended strand (participates in β ladder)trans-128.7126.8-178.4-174.4-176.4176.1162.610.1110.6V205 Q206 I222 L379 T381V205-R220 WeakPolarHBondContact CA-O 3.28Å; Q206-R220 PolarHBondContact N-O 3.11Å; Q206-R220 PolarHBondContact O-N 2.94Å; R220-I222 HydrophobicContact CB-CD1 4.45Å; R220-I222 HydrophobicContact CG-CD1 4.05Å; R220-L379 PolarHBondContact NH1-O 3.3Å; R220-L379 PolarHBondContact NH2-O 2.74Å; R220-T381 VanDerWaalsContact NH1-N 3.13Å; R220-T381 PolarHBondContact NH1-O 3.09Å
221T97.4Very high95Very high71 Ų7166.5 Ų66.544%0.43632%0.317SS..EExtended strand (participates in β ladder)trans-76.4127.4166-57.70000109.7E224T221-E224 HydrophobicContact CG2-CG 3.34Å
222I97.6Very high95Very high40 Ų4063.3 Ų63.321%0.20531%0.313CS..EExtended strand (participates in β ladder)trans-96.9-44.7-176-56.8-55000111.2L204 Q206 R220 P245 L247L204-I222 HydrophobicContact CB-CB 4.4Å; L204-I222 HydrophobicContact CD2-CB 4.15Å; L204-I222 HydrophobicContact CD2-CG2 4Å; L204-I222 HydrophobicContact CG-CB 3.99Å; L204-I222 HydrophobicContact CG-CG1 4.43Å; L204-I222 HydrophobicContact CG-CG2 4.4Å; L204-I222 WeakPolarHBondContact O-CB 3.22Å; L204-I222 PolarHBondContact O-N 3.4Å; Q206-I222 HydrophobicContact CB-CD1 3.87Å; Q206-I222 HydrophobicContact CB-CG1 3.97Å; R220-I222 HydrophobicContact CB-CD1 4.45Å; R220-I222 HydrophobicContact CG-CD1 4.05Å; I222-P245 HydrophobicContact CG2-CG 3.36Å; I222-L247 HydrophobicContact CD1-CD2 3.97Å; I222-L247 HydrophobicContact CG1-CD2 4.17Å; I222-L247 HydrophobicContact CG2-CD1 4.18Å; I222-L247 HydrophobicContact CG2-CD2 3.93Å; I222-L247 HydrophobicContact CG2-CG 4.5Å
223A97Very high95.1Very high2 Ų265 Ų652%0.01733%0.334CS..EExtended strand (participates in β ladder)trans-149.5150.2179.200000109.8S203 L204 I242 Q341S203-A223 CarbonylContact C-O 3.55Å; S203-A223 WeakPolarHBondContact CA-O 2.8Å; L204-A223 HydrophobicContact CB-CB 4.33Å; L204-A223 PolarHBondContact N-O 2.76Å; A223-I242 HydrophobicContact CB-CG2 3.92Å; A223-Q341 HydrophobicContact CB-CG 3.98Å
224E96.9Very high95.5Very high75 Ų7559.5 Ų59.535%0.3531%0.311SS..EExtended strand (participates in β ladder)trans-136.8143.3177.6-60.7-163130.500111.8L201 A202 S203 T221 S340L201-E224 HydrophobicContact CD1-CB 4.17Å; A202-E224 WeakPolarHBondContact O-CA 3.42Å; S203-E224 PolarHBondContact OG-OE1 2.81Å; T221-E224 HydrophobicContact CG2-CG 3.34Å; E224-S340 PolarHBondContact N-OG 2.89Å; E224-S340 VanDerWaalsContact O-CB 3.31Å; E224-S340 WeakPolarHBondContact O-CB 3.38Å; E224-S340 PolarHBondContact O-N 3.45Å; E224-S340 PolarHBondContact O-OG 2.87Å
225V96.6Very high95.8Very high0 Ų051.5 Ų51.50%028%0.282CS..EExtended strand (participates in β ladder)trans-134.1132.3174.4-67.90000109.3L201 A202 W238 E240 I242 S338 H339L201-V225 WeakPolarHBondContact CA-O 3.06Å; A202-V225 HydrophobicContact CB-CG2 3.72Å; A202-V225 PolarHBondContact N-O 2.83Å; A202-V225 PolarHBondContact O-N 2.83Å; V225-W238 HydrophobicContact CB-CH2 4.47Å; V225-W238 HydrophobicContact CB-CZ2 4.38Å; V225-W238 HydrophobicContact CG2-CH2 3.83Å; V225-W238 HydrophobicContact CG2-CZ2 4.11Å; V225-W238 WeakPolarHBondContact O-CH2 3.12Å; V225-E240 HydrophobicContact CB-CG 3.71Å; V225-E240 HydrophobicContact CG1-CG 3.92Å; V225-E240 HydrophobicContact CG2-CB 4.34Å; V225-E240 HydrophobicContact CG2-CG 3.52Å; V225-I242 HydrophobicContact CG1-CG1 4.22Å; V225-I242 HydrophobicContact CG2-CD1 3.94Å; V225-I242 HydrophobicContact CG2-CG1 4.04Å; V225-S338 WeakPolarHBondContact CA-O 3.42Å; V225-H339 HydrophobicContact CG1-CB 4.16Å; V225-H339 VanDerWaalsContact CG1-CE1 3.42Å; V225-H339 WeakPolarHBondContact CG1-CE1 3.4Å; V225-H339 VanDerWaalsContact CG1-ND1 3.3Å; V225-H339 WeakPolarHBondContact CG1-ND1 2.89Å
226E96.9Very high96Very high40 Ų4047.6 Ų47.619%0.18726%0.257CS..EExtended strand (participates in β ladder)trans-113.7128.7-177-173.5-177.6123.200110.2Y199 V200 L201 T336 K337 S338Y199-E226 HydrophobicContact CD2-CG 3.56Å; Y199-E226 HydrophobicContact CE2-CG 4.2Å; Y199-E226 HydrophobicContact CG-CG 3.87Å; V200-E226 CarbonylContact O-C 3.46Å; V200-E226 WeakPolarHBondContact O-CA 3.28Å; L201-E226 HydrophobicContact CD1-CB 4.26Å; E226-T336 CarbonylContact O-C 3.52Å; E226-T336 VanDerWaalsContact O-CG2 3.24Å; E226-T336 WeakPolarHBondContact O-CG2 3.24Å; E226-K337 HydrophobicContact CG-CB 4.4Å; E226-K337 HydrophobicContact CG-CD 4.45Å; E226-K337 PolarHBondContact O-N 2.98Å; E226-K337 VanDerWaalsContact OE1-CD 3.23Å; E226-K337 WeakPolarHBondContact OE1-CD 3.43Å; E226-S338 WeakPolarHBondContact CB-OG 3.38Å; E226-S338 PolarHBondContact N-O 2.8Å; E226-S338 PolarHBondContact O-N 3.01Å
227G95.1Very high96.1Very high0 Ų048.5 Ų48.50%026%0.259CS..EExtended strand (participates in β ladder)trans-111169.2170.400000112.8Y199 V200Y199-G227 WeakPolarHBondContact CA-O 3.41Å; Y199-G227 WeakPolarHBondContact CB-O 3.25Å; V200-G227 PolarHBondContact N-O 2.95Å; V200-G227 PolarHBondContact O-N 3.06Å
228A95.1Very high96.1Very high20 Ų2045.1 Ų45.117%0.16524%0.238CC..PPolyproline II helixtrans-68.6167.2177.200000113.7I334 P335A228-I334 HydrophobicContact CB-CG2 3.36Å; A228-P335 HydrophobicContact CB-CG 4.48Å; A228-P335 PolarHBondContact N-O 3.36Å
229G94.4Very high96.1Very high25 Ų2547.7 Ų47.726%0.25825%0.247SC..PPolyproline II helixtrans-84.1164.2173.900000112.2G198G198-G229 WeakPolarHBondContact O-CA 3.4Å
230V95.9Very high96Very high3 Ų342.7 Ų42.72%0.01823%0.23CC..PPolyproline II helixtrans-101.5131.4-177.1-168.10000110.4I189 N191 D196 T197 K234 A236 I334I189-V230 HydrophobicContact CB-CG2 3.72Å; I189-V230 HydrophobicContact CD1-CG2 3.72Å; I189-V230 HydrophobicContact CG1-CG2 4.31Å; I189-V230 HydrophobicContact CG2-CB 4.25Å; I189-V230 HydrophobicContact CG2-CG2 3.46Å; I189-V230 VanDerWaalsContact CG2-CG2 3.46Å; N191-V230 HydrophobicContact CB-CB 4.35Å; N191-V230 HydrophobicContact CB-CG1 4.12Å; N191-V230 PolarHBondContact ND2-O 2.79Å; D196-V230 WeakPolarHBondContact CA-O 3.35Å; T197-V230 HydrophobicContact CG2-CB 4.26Å; T197-V230 PolarHBondContact N-O 2.9Å; T197-V230 PolarHBondContact OG1-N 3.32Å; V230-K234 HydrophobicContact CG1-CB 4.12Å; V230-A236 HydrophobicContact CG1-CB 3.99Å; V230-A236 HydrophobicContact CG2-CB 4.19Å; V230-I334 HydrophobicContact CB-CD1 4.45Å; V230-I334 HydrophobicContact CG2-CD1 3.58Å
231K95.7Very high96Very high124 Ų12443.2 Ų43.254%0.53924%0.235SC..PPolyproline II helixtrans-62.8153.6178.2-63.6-60-177.5176.90112.8N191 D196 G233 K234N191-K231 PolarHBondContact ND2-O 3.47Å; N191-K231 VanDerWaalsContact ND2-O 3.12Å; D196-K231 VanDerWaalsContact CG-CD 3.49Å; D196-K231 WeakPolarHBondContact OD1-CA 3.09Å; D196-K231 WeakPolarHBondContact OD1-CD 3.48Å; D196-K231 WeakPolarHBondContact OD2-CD 3.5Å; D196-K231 IonicContact OD2-NZ 2.76Å; D196-K231 PolarHBondContact OD2-NZ 2.95Å; K231-G233 PolarHBondContact O-N 2.9Å; K231-K234 HydrophobicContact CB-CB 4.3Å; K231-K234 HydrophobicContact CB-CG 3.81Å; K231-K234 WeakPolarHBondContact O-CB 3.3Å; K231-K234 PolarHBondContact O-N 2.99Å
232A94.4Very high95.9Very high37 Ų3739.9 Ų39.931%0.30622%0.215SC..THydrogen-bonded Turntrans-51.7132.9174.700000111.7S193 D196 K234S193-A232 CarbonylContact O-C 3.53Å; S193-A232 WeakPolarHBondContact O-CA 3.19Å; S193-A232 WeakPolarHBondContact O-CB 3.38Å; D196-A232 PolarHBondContact OD1-N 2.88Å; A232-K234 PolarHBondContact O-N 3.26Å
233G93.7Very high95.9Very high58 Ų5841.9 Ų41.960%0.59823%0.225SC*.THydrogen-bonded Turntrans70.64.2178.400000115.5N191 S193 K231N191-G233 CarbonylContact O-C 3.56Å; N191-G233 WeakPolarHBondContact O-CA 3.37Å; N191-G233 PolarHBondContact O-N 2.81Å; S193-G233 PolarHBondContact O-N 2.78Å; K231-G233 PolarHBondContact O-N 2.9Å
234K96Very high95.9Very high105 Ų10541.8 Ų41.846%0.45723%0.225SC..  trans-99.3161-175.5-63.9-63-171.6161.40113.3N191 V230 K231 A232N191-K234 PolarHBondContact N-O 2.86Å; N191-K234 PolarHBondContact O-N 2.8Å; V230-K234 HydrophobicContact CG1-CB 4.12Å; K231-K234 HydrophobicContact CB-CB 4.3Å; K231-K234 HydrophobicContact CB-CG 3.81Å; K231-K234 WeakPolarHBondContact O-CB 3.3Å; K231-K234 PolarHBondContact O-N 2.99Å; A232-K234 PolarHBondContact O-N 3.26Å
235H96Very high95.9Very high42 Ų4239.7 Ų39.719%0.19422%0.217CC..EExtended strand (participates in β ladder)trans-115.3139168.9168.3-117000108.4I189 H190 S331I189-H235 WeakPolarHBondContact O-CA 3.42Å; I189-H235 PolarHBondContact O-CD2 2.73Å; H190-H235 AromaticContact CD2-CD2 3.16Å; H190-H235 PolarHBondContact CD2-CD2 3.41Å; H190-H235 AromaticContact CD2-NE2 3.63Å; H190-H235 AromaticContact CE1-CD2 3.52Å; H190-H235 AromaticContact CE1-NE2 3.81Å; H190-H235 AromaticContact CG-CD2 3.6Å; H190-H235 AromaticContact ND1-CD2 3.8Å; H190-H235 AromaticContact NE2-CD2 3.15Å; H190-H235 PolarHBondContact NE2-CD2 3.18Å; H190-H235 AromaticContact NE2-NE2 3.23Å; H190-H235 PolarHBondContact NE2-NE2 3.02Å; H235-S331 PolarHBondContact CE1-OG 3.12Å; H235-S331 PolarHBondContact ND1-OG 2.88Å
236A96.1Very high95.7Very high2 Ų244.7 Ų44.72%0.01725%0.25CC..EExtended strand (participates in β ladder)trans-146.1153.8178.200000112.3I189 V230 E332 I334I189-A236 PolarHBondContact N-O 3.13Å; I189-A236 PolarHBondContact O-N 3.07Å; V230-A236 HydrophobicContact CG1-CB 3.99Å; V230-A236 HydrophobicContact CG2-CB 4.19Å; A236-E332 WeakPolarHBondContact CA-O 3.26Å; A236-E332 WeakPolarHBondContact CB-O 3.49Å; A236-I334 HydrophobicContact CB-CD1 3.2Å; A236-I334 HydrophobicContact CB-CG1 3.64Å
237E97.1Very high95.6Very high47 Ų4743.4 Ų43.422%0.2224%0.244CC..EExtended strand (participates in β ladder)trans-112.1137.3171-167-177.3-171.300109.1S186 T187 K239 E332 E333 I334S186-E237 PolarHBondContact OG-OE1 3.44Å; T187-E237 CarbonylContact O-C 3.59Å; T187-E237 WeakPolarHBondContact O-CA 3.33Å; E237-K239 HydrophobicContact CG-CG 4.47Å; E237-K239 WeakPolarHBondContact OE1-CE 3.39Å; E237-K239 IonicContact OE1-NZ 3.75Å; E237-K239 VanDerWaalsContact OE2-CE 3.24Å; E237-K239 WeakPolarHBondContact OE2-CE 3.41Å; E237-K239 IonicContact OE2-NZ 3.19Å; E237-K239 PolarHBondContact OE2-NZ 3.2Å; E237-E332 PolarHBondContact N-O 2.83Å; E237-E333 VanDerWaalsContact O-CA 3.31Å; E237-E333 WeakPolarHBondContact O-CA 3.41Å; E237-I334 PolarHBondContact O-N 3.27Å
238W97.1Very high95.6Very high1 Ų144 Ų440%0.00425%0.248CC..EExtended strand (participates in β ladder)trans-122.4123.7172.5176.452.5000109.4L185 S186 T187 V200 A202 V225 E240 V266 T336L185-W238 HydrophobicContact CD2-CZ3 4.31Å; S186-W238 CarbonylContact C-O 3.52Å; S186-W238 WeakPolarHBondContact CA-O 3.43Å; T187-W238 PolarHBondContact N-O 3.19Å; T187-W238 PolarHBondContact O-N 2.88Å; V200-W238 HydrophobicContact CB-CE3 4.16Å; V200-W238 HydrophobicContact CB-CZ3 4.26Å; V200-W238 HydrophobicContact CG1-CB 4.5Å; V200-W238 HydrophobicContact CG1-CD2 3.52Å; V200-W238 HydrophobicContact CG1-CE3 3.44Å; V200-W238 VanDerWaalsContact CG1-CE3 3.44Å; V200-W238 HydrophobicContact CG1-CG 4.01Å; V200-W238 HydrophobicContact CG1-CH2 4.15Å; V200-W238 HydrophobicContact CG1-CZ2 4.28Å; V200-W238 HydrophobicContact CG1-CZ3 3.78Å; V200-W238 HydrophobicContact CG2-CE3 3.59Å; V200-W238 HydrophobicContact CG2-CH2 4.47Å; V200-W238 HydrophobicContact CG2-CZ3 3.56Å; A202-W238 HydrophobicContact CB-CH2 3.8Å; A202-W238 HydrophobicContact CB-CZ3 3.82Å; V225-W238 HydrophobicContact CB-CH2 4.47Å; V225-W238 HydrophobicContact CB-CZ2 4.38Å; V225-W238 HydrophobicContact CG2-CH2 3.83Å; V225-W238 HydrophobicContact CG2-CZ2 4.11Å; V225-W238 WeakPolarHBondContact O-CH2 3.12Å; W238-E240 HydrophobicContact CH2-CB 4.49Å; W238-E240 HydrophobicContact CZ2-CB 3.96Å; W238-E240 HydrophobicContact CZ2-CG 4.06Å; W238-V266 HydrophobicContact CZ3-CG1 4.39Å; W238-T336 PolarHBondContact NE1-OG1 2.74Å
239K96.7Very high95.7Very high101 Ų10143.4 Ų43.444%0.43924%0.242SC..EExtended strand (participates in β ladder)trans-113.4135.5178.3-67.6177.2-171.6147.90109.7L185 E237L185-K239 VanDerWaalsContact O-CA 3.29Å; L185-K239 WeakPolarHBondContact O-CA 3.41Å; E237-K239 HydrophobicContact CG-CG 4.47Å; E237-K239 WeakPolarHBondContact OE1-CE 3.39Å; E237-K239 IonicContact OE1-NZ 3.75Å; E237-K239 VanDerWaalsContact OE2-CE 3.24Å; E237-K239 WeakPolarHBondContact OE2-CE 3.41Å; E237-K239 IonicContact OE2-NZ 3.19Å; E237-K239 PolarHBondContact OE2-NZ 3.2Å
240E95.1Very high95.8Very high28 Ų2842.5 Ų42.513%0.13123%0.232CC..EExtended strand (participates in β ladder)trans-149.4162.4-179.3-165.848-98.900111.9L185 V225 W238 T336 H339L185-E240 PolarHBondContact N-O 3.03Å; L185-E240 PolarHBondContact O-N 2.91Å; V225-E240 HydrophobicContact CB-CG 3.71Å; V225-E240 HydrophobicContact CG1-CG 3.92Å; V225-E240 HydrophobicContact CG2-CB 4.34Å; V225-E240 HydrophobicContact CG2-CG 3.52Å; W238-E240 HydrophobicContact CH2-CB 4.49Å; W238-E240 HydrophobicContact CZ2-CB 3.96Å; W238-E240 HydrophobicContact CZ2-CG 4.06Å; E240-T336 WeakPolarHBondContact OE2-CB 3.48Å; E240-T336 WeakPolarHBondContact OE2-CG2 3.35Å; E240-T336 PolarHBondContact OE2-OG1 2.79Å; E240-H339 IonicContact OE1-CD2 3.87Å
241Q95.3Very high95.8Very high86 Ų8643.3 Ų43.340%0.40224%0.241SC..EExtended strand (participates in β ladder)trans-124141.2175.7-57.7-1763.500110.9L182 I183 R184 H339L182-Q241 HydrophobicContact CD2-CB 4.19Å; I183-Q241 CarbonylContact O-C 3.59Å; I183-Q241 VanDerWaalsContact O-CA 3.29Å; I183-Q241 WeakPolarHBondContact O-CA 3.28Å; R184-Q241 HydrophobicContact CG-CG 4.34Å; Q241-H339 PolarHBondContact O-NE2 3.16Å
242I96.2Very high95.7Very high1 Ų138 Ų381%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-127.3125.5174.5-58.6173.8000107.8I183 L204 A223 V225 I264I183-I242 HydrophobicContact CB-CB 4.33Å; I183-I242 PolarHBondContact N-O 2.78Å; I183-I242 PolarHBondContact O-N 2.82Å; L204-I242 HydrophobicContact CB-CG2 4.41Å; L204-I242 HydrophobicContact CD2-CG2 4.38Å; A223-I242 HydrophobicContact CB-CG2 3.92Å; V225-I242 HydrophobicContact CG1-CG1 4.22Å; V225-I242 HydrophobicContact CG2-CD1 3.94Å; V225-I242 HydrophobicContact CG2-CG1 4.04Å; I242-I264 HydrophobicContact CD1-CD1 4.43Å
243I96.5Very high95.6Very high82 Ų8240.1 Ų40.142%0.42123%0.231SC..EExtended strand (participates in β ladder)trans-77.3130.1174.1-62.4166.6000108.1L182 P245 Q341L182-I243 HydrophobicContact CD2-CB 4.45Å; L182-I243 HydrophobicContact CD2-CD1 4.45Å; L182-I243 HydrophobicContact CD2-CG1 3.43Å; L182-I243 VanDerWaalsContact CD2-CG1 3.43Å; I243-P245 WeakPolarHBondContact O-CD 3.49Å; I243-Q341 PolarHBondContact O-NE2 2.79Å
244V96.9Very high95.5Very high1 Ų139.2 Ų39.21%0.00622%0.222CC..  trans-73.8113.3172.5-1770000108.9Y177 G180 Q181 I183 L247 I281Y177-V244 HydrophobicContact CG-CG2 4.25Å; G180-V244 PolarHBondContact N-O 3.43Å; Q181-V244 WeakPolarHBondContact O-CG2 3.29Å; Q181-V244 PolarHBondContact O-N 2.86Å; I183-V244 HydrophobicContact CD1-CG2 3.79Å; I183-V244 HydrophobicContact CG1-CG2 3.68Å; V244-L247 HydrophobicContact CG1-CD1 4.18Å; V244-I281 HydrophobicContact CG1-CD1 3.78Å; V244-I281 HydrophobicContact CG2-CD1 4.47Å
245P96.1Very high95.5Very high31 Ų3134.9 Ų34.920%0.20120%0.204CC..  trans-73.7174.6176.529.1-28.5000111.1I222 I243 L247I222-P245 HydrophobicContact CG2-CG 3.36Å; I243-P245 WeakPolarHBondContact O-CD 3.49Å; P245-L247 HydrophobicContact CG-CD1 4.04Å; P245-L247 HydrophobicContact CG-CD2 4.16Å; P245-L247 HydrophobicContact CG-CG 3.88Å; P245-L247 WeakPolarHBondContact O-CG 3.38Å; P245-L247 PolarHBondContact O-N 3.42Å
246P93.9Very high95.4Very high105 Ų10541.3 Ų41.368%0.68223%0.227SC*.SBendtrans-59.2102.6170.3-2334.8000110.7G382P246-G382 VanDerWaalsContact O-O 3.12Å
247L94.3Very high95.4Very high13 Ų1341.9 Ų41.97%0.06823%0.23CC..  trans-127.1150.5-175.5-70.3174.4000110.6L204 I222 V244 P245 Y262 I281 T384L204-L247 HydrophobicContact CD2-CD1 4.17Å; I222-L247 HydrophobicContact CD1-CD2 3.97Å; I222-L247 HydrophobicContact CG1-CD2 4.17Å; I222-L247 HydrophobicContact CG2-CD1 4.18Å; I222-L247 HydrophobicContact CG2-CD2 3.93Å; I222-L247 HydrophobicContact CG2-CG 4.5Å; V244-L247 HydrophobicContact CG1-CD1 4.18Å; P245-L247 HydrophobicContact CG-CD1 4.04Å; P245-L247 HydrophobicContact CG-CD2 4.16Å; P245-L247 HydrophobicContact CG-CG 3.88Å; P245-L247 WeakPolarHBondContact O-CG 3.38Å; P245-L247 PolarHBondContact O-N 3.42Å; L247-Y262 HydrophobicContact CB-CE1 4.39Å; L247-Y262 HydrophobicContact CD1-CD1 4.38Å; L247-Y262 HydrophobicContact CD1-CE1 3.84Å; L247-Y262 HydrophobicContact CD2-CE1 4.4Å; L247-Y262 HydrophobicContact CG-CE1 4.44Å; L247-I281 HydrophobicContact CB-CG2 4.18Å; L247-I281 HydrophobicContact CD1-CG1 4.43Å; L247-T384 PolarHBondContact O-OG1 3.39Å
248P95.4Very high95.4Very high13 Ų1339.7 Ų39.78%0.08422%0.219CC..PPolyproline II helixtrans-64.5148.517224-28.6000112.1I260 Y262 T384P248-I260 HydrophobicContact CB-CD1 3.92Å; P248-I260 HydrophobicContact CG-CD1 4.13Å; P248-Y262 WeakPolarHBondContact CD-OH 3.25Å; P248-Y262 VanDerWaalsContact CG-OH 3.26Å; P248-Y262 WeakPolarHBondContact CG-OH 3.32Å; P248-Y262 VanDerWaalsContact O-CE2 3.25Å; P248-Y262 WeakPolarHBondContact O-CE2 3.34Å; P248-Y262 VanDerWaalsContact O-CZ 3.31Å; P248-Y262 PolarHBondContact O-OH 2.92Å; P248-T384 WeakPolarHBondContact CA-OG1 3.19Å; P248-T384 VanDerWaalsContact N-OG1 3.09Å
249Q96.8Very high95.5Very high6 Ų641 Ų413%0.02823%0.227CC..PPolyproline II helixtrans-59.2149.3177.570.9-170.936.800111.7T98 N134 L136 I281 N283T98-Q249 PolarHBondContact OG1-NE2 3.44Å; N134-Q249 PolarHBondContact O-NE2 3.09Å; N134-Q249 PolarHBondContact O-OE1 3.49Å; L136-Q249 HydrophobicContact CB-CB 4.07Å; L136-Q249 HydrophobicContact CB-CG 4.43Å; Q249-I281 CarbonylContact C-O 3.58Å; Q249-I281 VanDerWaalsContact CA-O 3.23Å; Q249-I281 WeakPolarHBondContact CA-O 3.39Å; Q249-N283 PolarHBondContact OE1-OD1 3.09Å
250S97.2Very high95.5Very high7 Ų736.2 Ų36.25%0.04921%0.206CC..SBendtrans-64.6134.8170.8-74.20000110.7L136 I260 Y262 F280 I281L136-S250 WeakPolarHBondContact CD2-O 3.41Å; S250-I260 WeakPolarHBondContact CA-O 3.34Å; S250-Y262 WeakPolarHBondContact OG-CD2 2.85Å; S250-F280 WeakPolarHBondContact OG-CA 3.28Å; S250-I281 PolarHBondContact N-O 3.16Å; S250-I281 PolarHBondContact OG-N 3.31Å
251G94.8Very high95.6Very high20 Ų2037.3 Ų37.321%0.20621%0.212CC..SBendtrans62162.9-17700000113.3I260G251-I260 PolarHBondContact N-O 3.24Å
252L94.1Very high95.8Very high11 Ų1133.3 Ų33.36%0.05819%0.194CC..  trans-133.690.9177.8-65.1171.6000107.4F100 I107 G254 C255 I258 I260F100-L252 HydrophobicContact CB-CD1 4.02Å; F100-L252 HydrophobicContact CD2-CD1 4.45Å; F100-L252 HydrophobicContact CG-CD1 4.08Å; I107-L252 HydrophobicContact CD1-CD1 3.82Å; L252-G254 PolarHBondContact O-N 3.13Å; L252-C255 HydrophobicContact CB-CB 3.87Å; L252-C255 WeakPolarHBondContact O-CB 3.35Å; L252-C255 PolarHBondContact O-N 2.91Å; L252-I258 HydrophobicContact CD1-CB 3.98Å; L252-I258 HydrophobicContact CD1-CG2 3.75Å; L252-I260 HydrophobicContact CD1-CD1 4.16Å; L252-I260 HydrophobicContact CD1-CG1 4.28Å; L252-I260 HydrophobicContact CD2-CD1 4.23Å; L252-I260 HydrophobicContact CG-CD1 4.24Å; L252-I260 HydrophobicContact CG-CG1 4.42Å
253S92.6Very high95.8Very high82 Ų8235.4 Ų35.457%0.57320%0.203SC*.THydrogen-bonded Turntrans-53.7132.6-178.4-170.70000110.7P97 C255P97-S253 WeakPolarHBondContact CA-O 3.2Å; P97-S253 WeakPolarHBondContact CB-O 3.44Å; S253-C255 VanDerWaalsContact C-N 3.28Å; S253-C255 PolarHBondContact O-N 3.03Å
254G91.4Very high95.9Very high40 Ų4031.5 Ų31.541%0.41218%0.183SC..THydrogen-bonded Turntrans80.1-8.5-175.400000115.8Y66 L252Y66-G254 WeakPolarHBondContact CE1-O 3.42Å; L252-G254 PolarHBondContact O-N 3.13Å
255C95.3Very high95.9Very high13 Ų1333.9 Ų33.99%0.08819%0.194CC..  trans-102.7125.6175.2-176.30000111.2Y66 P97 I107 L252 S253 I258Y66-C255 PolarHBondContact OH-SG 2.9Å; P97-C255 HydrophobicContact CB-CB 4.09Å; P97-C255 HydrophobicContact CG-CB 4.18Å; I107-C255 HydrophobicContact CD1-CB 3.86Å; L252-C255 HydrophobicContact CB-CB 3.87Å; L252-C255 WeakPolarHBondContact O-CB 3.35Å; L252-C255 PolarHBondContact O-N 2.91Å; S253-C255 VanDerWaalsContact C-N 3.28Å; S253-C255 PolarHBondContact O-N 3.03Å; C255-I258 PolarHBondContact SG-N 3.22Å
256R94.5Very high96Very high177 Ų17732.4 Ų32.467%0.66818%0.184SC*.SBendtrans-95.5-25.5177.3-63.8-178.9-65.3164.60.6112.7E64 R211E64-R256 IonicContact OE1-CZ 3.2Å; E64-R256 IonicContact OE1-NE 2.79Å; E64-R256 PolarHBondContact OE1-NE 2.99Å; E64-R256 IonicContact OE1-NH2 2.74Å; E64-R256 PolarHBondContact OE1-NH2 2.47Å; E64-R256 PolarHBondContact OE2-N 3.06Å; R211-R256 WeakPolarHBondContact CD-O 3.49Å; R211-R256 PolarHBondContact NH1-O 2.85Å
257L96.8Very high96.1Very high15 Ų1527.8 Ų27.88%0.07916%0.155CC..SBendtrans-79.7-29.4-171.4-64.2-169.2000113.7C49 I51 L62 E64 Y210 R211C49-L257 HydrophobicContact CB-CD1 4.22Å; I51-L257 HydrophobicContact CD1-CB 4.07Å; I51-L257 HydrophobicContact CD1-CD1 4.47Å; I51-L257 HydrophobicContact CD1-CD2 4.2Å; I51-L257 HydrophobicContact CD1-CG 4.48Å; I51-L257 HydrophobicContact CG1-CD1 4.33Å; I51-L257 HydrophobicContact CG2-CB 3.97Å; L62-L257 HydrophobicContact CD2-CD1 4.49Å; L62-L257 HydrophobicContact CD2-CD2 3.44Å; L62-L257 VanDerWaalsContact CD2-CD2 3.44Å; L62-L257 HydrophobicContact CG-CD1 4.13Å; L62-L257 HydrophobicContact CG-CD2 3.96Å; E64-L257 HydrophobicContact CB-CD1 3.72Å; E64-L257 HydrophobicContact CB-CG 4.16Å; Y210-L257 CarbonylContact C-O 3.48Å; Y210-L257 WeakPolarHBondContact CA-O 3.15Å; R211-L257 PolarHBondContact N-O 3.01Å
258I97.6Very high96.2Very high0 Ų027.2 Ų27.20%015%0.152CC..EExtended strand (participates in β ladder)trans-126.1134.4-176.4-55.1180000109C49 I51 F100 I107 V208 T209 Y210 L252 C255C49-I258 VanDerWaalsContact SG-CD1 3.56Å; I51-I258 HydrophobicContact CG2-CD1 3.92Å; I51-I258 HydrophobicContact CG2-CG1 3.64Å; F100-I258 HydrophobicContact CD1-CD1 3.7Å; F100-I258 HydrophobicContact CD1-CG2 3.87Å; F100-I258 HydrophobicContact CE1-CD1 4.09Å; F100-I258 HydrophobicContact CE1-CG2 3.77Å; F100-I258 HydrophobicContact CZ-CG2 4.39Å; I107-I258 HydrophobicContact CG1-CD1 4.23Å; V208-I258 HydrophobicContact CG1-CG2 3.8Å; T209-I258 WeakPolarHBondContact O-CA 3.15Å; Y210-I258 HydrophobicContact CD1-CD1 4.21Å; Y210-I258 HydrophobicContact CD1-CG1 3.97Å; Y210-I258 HydrophobicContact CE1-CD1 4.16Å; Y210-I258 HydrophobicContact CE1-CG1 4.32Å; Y210-I258 HydrophobicContact CE1-CG2 4.38Å; L252-I258 HydrophobicContact CD1-CB 3.98Å; L252-I258 HydrophobicContact CD1-CG2 3.75Å; C255-I258 PolarHBondContact SG-N 3.22Å
259N97.3Very high95.8Very high30 Ų3031.7 Ų31.716%0.1617%0.17CC..EExtended strand (participates in β ladder)trans-130.7142.2172.1-16257.1000110.6V208 T209 D261V208-N259 CarbonylContact C-O 3.55Å; V208-N259 VanDerWaalsContact CA-O 3.3Å; V208-N259 WeakPolarHBondContact CA-O 3.45Å; T209-N259 PolarHBondContact N-O 2.8Å; T209-N259 PolarHBondContact O-N 3.04Å; N259-D261 PolarHBondContact ND2-OD1 3.29Å; N259-D261 PolarHBondContact ND2-OD2 2.83Å
260I97.9Very high95.4Very high0 Ų033.7 Ų33.70%019%0.185CC..EExtended strand (participates in β ladder)trans-119.9118.3176.8-50.4175.8000107.9F100 Q206 M207 V208 P248 S250 G251 L252 Y262F100-I260 HydrophobicContact CD2-CD1 3.58Å; F100-I260 HydrophobicContact CE2-CD1 3.47Å; F100-I260 VanDerWaalsContact CE2-CD1 3.47Å; F100-I260 HydrophobicContact CE2-CG1 4.2Å; F100-I260 HydrophobicContact CZ-CD1 4.38Å; Q206-I260 HydrophobicContact CG-CG2 4.12Å; M207-I260 WeakPolarHBondContact O-CA 3.34Å; V208-I260 HydrophobicContact CG1-CG1 4.44Å; V208-I260 HydrophobicContact CG2-CG1 4.39Å; V208-I260 HydrophobicContact CG2-CG2 4.46Å; P248-I260 HydrophobicContact CB-CD1 3.92Å; P248-I260 HydrophobicContact CG-CD1 4.13Å; S250-I260 WeakPolarHBondContact CA-O 3.34Å; G251-I260 PolarHBondContact N-O 3.24Å; L252-I260 HydrophobicContact CD1-CD1 4.16Å; L252-I260 HydrophobicContact CD1-CG1 4.28Å; L252-I260 HydrophobicContact CD2-CD1 4.23Å; L252-I260 HydrophobicContact CG-CD1 4.24Å; L252-I260 HydrophobicContact CG-CG1 4.42Å; I260-Y262 HydrophobicContact CG2-CD2 4.26Å; I260-Y262 HydrophobicContact CG2-CE2 3.49Å; I260-Y262 VanDerWaalsContact CG2-CE2 3.49Å
261D97.7Very high95Very high50 Ų5034.4 Ų34.427%0.26719%0.189SC..EExtended strand (participates in β ladder)trans-119.1148.9176.5-58.6-59.2000109.9M207 N259 F263M207-D261 HydrophobicContact CB-CB 4.45Å; M207-D261 PolarHBondContact N-O 3.24Å; M207-D261 PolarHBondContact O-N 3.16Å; N259-D261 PolarHBondContact ND2-OD1 3.29Å; N259-D261 PolarHBondContact ND2-OD2 2.83Å; D261-F263 HydrophobicContact CB-CE2 3.59Å; D261-F263 HydrophobicContact CB-CZ 3.66Å
262Y97.9Very high95Very high2 Ų240.1 Ų40.11%0.00821%0.21CC..EExtended strand (participates in β ladder)trans-126.9144.9176.5-65.7-90.5000111.1V205 Q206 L247 P248 S250 I260 I279 I281V205-Y262 WeakPolarHBondContact O-CA 3.38Å; Q206-Y262 HydrophobicContact CB-CD1 3.86Å; Q206-Y262 HydrophobicContact CB-CE1 3.51Å; Q206-Y262 HydrophobicContact CG-CD1 4.17Å; Q206-Y262 HydrophobicContact CG-CE1 3.5Å; L247-Y262 HydrophobicContact CB-CE1 4.39Å; L247-Y262 HydrophobicContact CD1-CD1 4.38Å; L247-Y262 HydrophobicContact CD1-CE1 3.84Å; L247-Y262 HydrophobicContact CD2-CE1 4.4Å; L247-Y262 HydrophobicContact CG-CE1 4.44Å; P248-Y262 WeakPolarHBondContact CD-OH 3.25Å; P248-Y262 VanDerWaalsContact CG-OH 3.26Å; P248-Y262 WeakPolarHBondContact CG-OH 3.32Å; P248-Y262 VanDerWaalsContact O-CE2 3.25Å; P248-Y262 WeakPolarHBondContact O-CE2 3.34Å; P248-Y262 VanDerWaalsContact O-CZ 3.31Å; P248-Y262 PolarHBondContact O-OH 2.92Å; S250-Y262 WeakPolarHBondContact OG-CD2 2.85Å; I260-Y262 HydrophobicContact CG2-CD2 4.26Å; I260-Y262 HydrophobicContact CG2-CE2 3.49Å; I260-Y262 VanDerWaalsContact CG2-CE2 3.49Å; Y262-I279 PolarHBondContact O-N 2.89Å; Y262-I279 VanDerWaalsContact O-O 3.11Å; Y262-I281 HydrophobicContact CD1-CG1 4.12Å; Y262-I281 HydrophobicContact CD2-CB 4.06Å; Y262-I281 HydrophobicContact CD2-CG1 3.56Å; Y262-I281 HydrophobicContact CE1-CG1 4.29Å; Y262-I281 HydrophobicContact CE2-CB 3.91Å; Y262-I281 HydrophobicContact CE2-CG1 3.74Å; Y262-I281 HydrophobicContact CG-CG1 3.74Å
263F97.2Very high95Very high45 Ų4539.8 Ų39.820%0.19721%0.208CC..EExtended strand (participates in β ladder)trans-142.1144.7179.6-48.8-89.1000110.7V205 M207 D261 V276 L277 P278V205-F263 PolarHBondContact N-O 2.88Å; V205-F263 PolarHBondContact O-N 3.08Å; M207-F263 HydrophobicContact CB-CE2 4.06Å; M207-F263 HydrophobicContact CE-CE2 4.02Å; M207-F263 HydrophobicContact SD-CE2 4.24Å; D261-F263 HydrophobicContact CB-CE2 3.59Å; D261-F263 HydrophobicContact CB-CZ 3.66Å; F263-V276 HydrophobicContact CB-CG1 3.66Å; F263-V276 HydrophobicContact CD1-CG1 3.7Å; F263-V276 HydrophobicContact CG-CG1 3.92Å; F263-L277 CarbonylContact C-O 3.5Å; F263-L277 VanDerWaalsContact CA-O 3.3Å; F263-L277 WeakPolarHBondContact CA-O 3.42Å; F263-P278 HydrophobicContact CD1-CB 4.03Å; F263-P278 HydrophobicContact CE1-CB 4.15Å
264I97.6Very high95.2Very high0 Ų038.1 Ų38.10%020%0.195CC..EExtended strand (participates in β ladder)trans-91117.4158.4-55.9-57000107.6I183 L185 A202 S203 L204 I242 V266 V276 L277 I279I183-I264 HydrophobicContact CD1-CD1 3.89Å; I183-I264 HydrophobicContact CG2-CG1 4.41Å; L185-I264 HydrophobicContact CD1-CG2 3.94Å; L185-I264 HydrophobicContact CD2-CG2 4.34Å; A202-I264 HydrophobicContact CB-CG2 4.47Å; S203-I264 WeakPolarHBondContact O-CA 3.35Å; L204-I264 HydrophobicContact CB-CD1 3.89Å; L204-I264 HydrophobicContact CD1-CD1 3.63Å; L204-I264 HydrophobicContact CG-CD1 4.33Å; I242-I264 HydrophobicContact CD1-CD1 4.43Å; I264-V266 HydrophobicContact CG2-CG2 4.03Å; I264-V276 WeakPolarHBondContact O-CA 3.42Å; I264-L277 HydrophobicContact CB-CB 4.29Å; I264-L277 PolarHBondContact N-O 3.38Å; I264-L277 PolarHBondContact O-N 2.93Å; I264-I279 HydrophobicContact CD1-CD1 4.04Å; I264-I279 HydrophobicContact CG1-CD1 4.19Å; I264-I279 HydrophobicContact CG1-CG2 4.16Å
265Q97.6Very high95.5Very high51 Ų5136.3 Ų36.324%0.23818%0.176CC..EExtended strand (participates in β ladder)trans-103.7111.9175.9-176.4176.1-39.700108.9A202 S203 V205 V274 V276A202-Q265 CarbonylContact C-O 3.4Å; A202-Q265 WeakPolarHBondContact CA-O 3.37Å; S203-Q265 PolarHBondContact N-O 3.34Å; S203-Q265 PolarHBondContact O-N 2.83Å; V205-Q265 HydrophobicContact CG2-CB 4.4Å; Q265-V274 HydrophobicContact CG-CG1 3.46Å; Q265-V274 VanDerWaalsContact CG-CG1 3.46Å; Q265-V276 HydrophobicContact CG-CG2 4.37Å
266V97.7Very high95.6Very high0 Ų038.8 Ų38.80%019%0.191CC..EExtended strand (participates in β ladder)trans-102126.4173.9-172.90000109.1L168 T170 L185 T187 V200 L201 A202 W238 I264 V274 V275L168-V266 HydrophobicContact CD1-CG1 4.47Å; L168-V266 HydrophobicContact CD2-CG1 4.25Å; T170-V266 HydrophobicContact CG2-CB 4.39Å; T170-V266 HydrophobicContact CG2-CG2 3.54Å; L185-V266 HydrophobicContact CD1-CG2 4.46Å; L185-V266 HydrophobicContact CD2-CG2 3.82Å; T187-V266 HydrophobicContact CG2-CG1 4.01Å; V200-V266 HydrophobicContact CG2-CG1 3.63Å; L201-V266 CarbonylContact O-C 3.44Å; L201-V266 WeakPolarHBondContact O-CA 3.3Å; A202-V266 HydrophobicContact CB-CG2 3.89Å; W238-V266 HydrophobicContact CZ3-CG1 4.39Å; I264-V266 HydrophobicContact CG2-CG2 4.03Å; V266-V274 CarbonylContact O-C 3.45Å; V266-V274 WeakPolarHBondContact O-CA 3.45Å; V266-V275 HydrophobicContact CB-CG1 3.85Å; V266-V275 PolarHBondContact N-O 2.92Å; V266-V275 PolarHBondContact O-N 3.25Å
267S96.7Very high95.6Very high9 Ų930.4 Ų30.46%0.06316%0.159CC..EExtended strand (participates in β ladder)trans-134.9147.2-175.267.10000113V200 L201 T273V200-S267 CarbonylContact C-O 3.51Å; V200-S267 WeakPolarHBondContact CA-O 3.41Å; L201-S267 PolarHBondContact N-O 2.78Å; L201-S267 PolarHBondContact O-N 3.03Å; S267-T273 CarbonylContact C-O 3.47Å; S267-T273 WeakPolarHBondContact CA-O 3.25Å
268L95.4Very high95.5Very high1 Ų132.4 Ų32.41%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-108.1132165.7-74.7162.9000107.5L166 L168 I189 G198 V200 P271 E272 T273L166-L268 HydrophobicContact CD1-CD1 3.98Å; L166-L268 HydrophobicContact CD2-CB 4.38Å; L166-L268 HydrophobicContact CD2-CD1 3.58Å; L166-L268 HydrophobicContact CG-CD1 4.1Å; L168-L268 HydrophobicContact CD1-CD1 4.12Å; I189-L268 HydrophobicContact CD1-CD2 4.41Å; I189-L268 HydrophobicContact CG2-CD1 3.81Å; G198-L268 WeakPolarHBondContact O-CD2 3.48Å; V200-L268 HydrophobicContact CB-CD2 3.87Å; V200-L268 HydrophobicContact CG2-CD2 4.4Å; L268-P271 VanDerWaalsContact O-O 3.09Å; L268-E272 VanDerWaalsContact O-CA 3.24Å; L268-E272 WeakPolarHBondContact O-CA 3.44Å; L268-T273 PolarHBondContact N-O 2.79Å; L268-T273 PolarHBondContact O-N 2.64Å; L268-T273 VanDerWaalsContact O-N 3.11Å
269K87.3Confident95.5Very high106 Ų10632.6 Ų32.646%0.46117%0.174SC..EExtended strand (participates in β ladder)trans-77.3-26-176.2-64.9-63.9-177.5-1800114.2Y199Y199-K269 HydrophobicContact CD1-CG 4.48Å; Y199-K269 HydrophobicContact CD2-CG 4.16Å; Y199-K269 HydrophobicContact CE1-CG 3.93Å; Y199-K269 HydrophobicContact CE2-CD 4.33Å; Y199-K269 HydrophobicContact CE2-CG 3.55Å; Y199-K269 VanDerWaalsContact CZ-CG 3.44Å; Y199-K269 VanDerWaalsContact OH-CE 3.29Å; Y199-K269 WeakPolarHBondContact OH-CE 3.31Å
270S89.3Confident95.5Very high49 Ų4933.9 Ų33.934%0.34318%0.178SC..THydrogen-bonded Turntrans-149.1115.5-179.1-161.10000110.9T197 G198T197-S270 CarbonylContact C-O 3.54Å; T197-S270 WeakPolarHBondContact CA-O 3.31Å; G198-S270 PolarHBondContact N-O 2.94Å
271P89.5Confident95.4Very high21 Ų2133.9 Ų33.914%0.13618%0.178CC..THydrogen-bonded Turncis-60.1152.5-15.633.4-39.7000110.9F156 L166 L268 T273F156-P271 HydrophobicContact CB-CB 4.39Å; F156-P271 HydrophobicContact CD1-CB 4.12Å; F156-P271 HydrophobicContact CD1-CG 3.68Å; F156-P271 HydrophobicContact CD2-CB 4.1Å; F156-P271 HydrophobicContact CD2-CG 4.23Å; F156-P271 HydrophobicContact CE1-CB 4.42Å; F156-P271 HydrophobicContact CE1-CG 3.59Å; F156-P271 HydrophobicContact CE2-CB 4.38Å; F156-P271 HydrophobicContact CE2-CG 4.13Å; F156-P271 HydrophobicContact CG-CB 3.94Å; F156-P271 HydrophobicContact CG-CG 4.01Å; F156-P271 HydrophobicContact CZ-CG 3.79Å; L166-P271 HydrophobicContact CB-CG 4.43Å; L166-P271 HydrophobicContact CD2-CG 3.6Å; L268-P271 VanDerWaalsContact O-O 3.09Å; P271-T273 PolarHBondContact O-N 3.33Å; P271-T273 VanDerWaalsContact O-N 3.09Å
272E93Very high95.4Very high140 Ų14031.6 Ų31.665%0.65417%0.166SC*.EExtended strand (participates in β ladder)trans-65.7110.7177.9-171.5177.9-170.200110.5K154 L268K154-E272 WeakPolarHBondContact CD-O 3.35Å; K154-E272 WeakPolarHBondContact CE-O 3.29Å; K154-E272 PolarHBondContact NZ-O 3.18Å; L268-E272 VanDerWaalsContact O-CA 3.24Å; L268-E272 WeakPolarHBondContact O-CA 3.44Å
273T94.9Very high95.3Very high4 Ų434 Ų343%0.02518%0.179CC..EExtended strand (participates in β ladder)trans-137.1134.7176.8-67.70000108.1T152 K154 L166 L168 S267 L268 P271T152-T273 HydrophobicContact CG2-CG2 3.93Å; K154-T273 HydrophobicContact CB-CG2 4.36Å; K154-T273 WeakPolarHBondContact CB-OG1 3.5Å; K154-T273 VanDerWaalsContact CD-OG1 3.3Å; K154-T273 WeakPolarHBondContact CD-OG1 3.2Å; L166-T273 HydrophobicContact CD2-CG2 4.5Å; L168-T273 HydrophobicContact CB-CG2 4.2Å; L168-T273 HydrophobicContact CD2-CG2 4.34Å; S267-T273 CarbonylContact C-O 3.47Å; S267-T273 WeakPolarHBondContact CA-O 3.25Å; L268-T273 PolarHBondContact N-O 2.79Å; L268-T273 PolarHBondContact O-N 2.64Å; L268-T273 VanDerWaalsContact O-N 3.11Å; P271-T273 PolarHBondContact O-N 3.33Å; P271-T273 VanDerWaalsContact O-N 3.09Å
274V96.8Very high95.3Very high47 Ų4735 Ų3529%0.28519%0.186SC..EExtended strand (participates in β ladder)trans-130.5137.7-176.9-177.30000108.9T152 Q265 V266 V276T152-V274 PolarHBondContact OG1-O 2.84Å; Q265-V274 HydrophobicContact CG-CG1 3.46Å; Q265-V274 VanDerWaalsContact CG-CG1 3.46Å; V266-V274 CarbonylContact O-C 3.45Å; V266-V274 WeakPolarHBondContact O-CA 3.45Å; V274-V276 HydrophobicContact CG1-CG2 4.05Å
275V97.3Very high95.1Very high3 Ų337.6 Ų37.62%0.01820%0.202CC..EExtended strand (participates in β ladder)trans-124.5142.5165.5680000108.4A150 L168 T170 V266A150-V275 HydrophobicContact CB-CG2 3.41Å; A150-V275 VanDerWaalsContact CB-CG2 3.41Å; L168-V275 HydrophobicContact CD2-CB 4.15Å; L168-V275 HydrophobicContact CD2-CG1 3.56Å; L168-V275 HydrophobicContact CG-CB 4.44Å; L168-V275 HydrophobicContact CG-CG1 3.77Å; T170-V275 WeakPolarHBondContact OG1-CG1 3.48Å; V266-V275 HydrophobicContact CB-CG1 3.85Å; V266-V275 PolarHBondContact N-O 2.92Å; V266-V275 PolarHBondContact O-N 3.25Å
276V96.9Very high94.8Very high65 Ų6535.8 Ų35.839%0.39420%0.195SC..EExtended strand (participates in β ladder)trans-122.8126.7-175-1760000108.7F263 I264 Q265 V274F263-V276 HydrophobicContact CB-CG1 3.66Å; F263-V276 HydrophobicContact CD1-CG1 3.7Å; F263-V276 HydrophobicContact CG-CG1 3.92Å; I264-V276 WeakPolarHBondContact O-CA 3.42Å; Q265-V276 HydrophobicContact CG-CG2 4.37Å; V274-V276 HydrophobicContact CG1-CG2 4.05Å
277L95.6Very high94.4Very high1 Ų140.7 Ų40.71%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-107.5115.4171.8-68.1176.1000109.2A150 T170 L185 F263 I264A150-L277 HydrophobicContact CB-CD2 3.51Å; A150-L277 HydrophobicContact CB-CG 4.44Å; T170-L277 HydrophobicContact CG2-CD1 3.42Å; T170-L277 VanDerWaalsContact CG2-CD1 3.42Å; T170-L277 HydrophobicContact CG2-CG 4.24Å; L185-L277 HydrophobicContact CD1-CD1 4.12Å; F263-L277 CarbonylContact C-O 3.5Å; F263-L277 VanDerWaalsContact CA-O 3.3Å; F263-L277 WeakPolarHBondContact CA-O 3.42Å; I264-L277 HydrophobicContact CB-CB 4.29Å; I264-L277 PolarHBondContact N-O 3.38Å; I264-L277 PolarHBondContact O-N 2.93Å
278P95.3Very high93.3Very high56 Ų5646 Ų4636%0.36425%0.248SC..EExtended strand (participates in β ladder)trans-69.1138.4171.929.7-32.8000110.1F263F263-P278 HydrophobicContact CD1-CB 4.03Å; F263-P278 HydrophobicContact CE1-CB 4.15Å
279I95.9Very high91.7Very high4 Ų450.4 Ų50.42%0.02128%0.279CS..EExtended strand (participates in β ladder)trans-133.5160.7174.366.3168000110.7R175 Y177 I183 L204 Y262 I264 I281R175-I279 CarbonylContact O-C 3.49Å; R175-I279 VanDerWaalsContact O-CA 3.27Å; R175-I279 WeakPolarHBondContact O-CA 3.34Å; Y177-I279 HydrophobicContact CD2-CB 4.4Å; Y177-I279 HydrophobicContact CD2-CD1 4.4Å; Y177-I279 HydrophobicContact CE2-CB 4.33Å; Y177-I279 HydrophobicContact CE2-CG2 4.1Å; I183-I279 HydrophobicContact CD1-CD1 3.73Å; L204-I279 HydrophobicContact CD1-CD1 3.55Å; Y262-I279 PolarHBondContact O-N 2.89Å; Y262-I279 VanDerWaalsContact O-O 3.11Å; I264-I279 HydrophobicContact CD1-CD1 4.04Å; I264-I279 HydrophobicContact CG1-CD1 4.19Å; I264-I279 HydrophobicContact CG1-CG2 4.16Å; I279-I281 HydrophobicContact CD1-CD1 4.16Å
280F97.2Very high90Very high58 Ų5851.1 Ų51.125%0.25429%0.294SS..EExtended strand (participates in β ladder)trans-114.6134.6175.8-65.7-91.2000110.4L138 V141 I144 R175 G176 Y177 S250L138-F280 HydrophobicContact CD2-CB 3.74Å; V141-F280 HydrophobicContact CG1-CD1 4.18Å; V141-F280 HydrophobicContact CG1-CD2 4.12Å; V141-F280 HydrophobicContact CG1-CE1 4.01Å; V141-F280 HydrophobicContact CG1-CE2 3.94Å; V141-F280 HydrophobicContact CG1-CG 4.24Å; V141-F280 HydrophobicContact CG1-CZ 3.88Å; I144-F280 HydrophobicContact CD1-CB 4.17Å; I144-F280 HydrophobicContact CD1-CD2 3.74Å; I144-F280 HydrophobicContact CD1-CG 4.2Å; R175-F280 PolarHBondContact O-N 3.2Å; G176-F280 CarbonylContact C-O 3.55Å; G176-F280 WeakPolarHBondContact CA-O 3.33Å; Y177-F280 PolarHBondContact N-O 2.73Å; S250-F280 WeakPolarHBondContact OG-CA 3.28Å
281I97.6Very high87.9Confident0 Ų055.7 Ų55.70%032%0.32CS..EExtended strand (participates in β ladder)trans-104121.7169.5-55.9-54000107.6L136 Y177 V244 L247 Q249 S250 Y262 I279L136-I281 WeakPolarHBondContact CD2-O 3.43Å; Y177-I281 CarbonylContact O-C 3.5Å; Y177-I281 VanDerWaalsContact O-CA 3.27Å; Y177-I281 WeakPolarHBondContact O-CA 3.44Å; V244-I281 HydrophobicContact CG1-CD1 3.78Å; V244-I281 HydrophobicContact CG2-CD1 4.47Å; L247-I281 HydrophobicContact CB-CG2 4.18Å; L247-I281 HydrophobicContact CD1-CG1 4.43Å; Q249-I281 CarbonylContact C-O 3.58Å; Q249-I281 VanDerWaalsContact CA-O 3.23Å; Q249-I281 WeakPolarHBondContact CA-O 3.39Å; S250-I281 PolarHBondContact N-O 3.16Å; S250-I281 PolarHBondContact OG-N 3.31Å; Y262-I281 HydrophobicContact CD1-CG1 4.12Å; Y262-I281 HydrophobicContact CD2-CB 4.06Å; Y262-I281 HydrophobicContact CD2-CG1 3.56Å; Y262-I281 HydrophobicContact CE1-CG1 4.29Å; Y262-I281 HydrophobicContact CE2-CB 3.91Å; Y262-I281 HydrophobicContact CE2-CG1 3.74Å; Y262-I281 HydrophobicContact CG-CG1 3.74Å; I279-I281 HydrophobicContact CD1-CD1 4.16Å
282G97.1Very high85.6Confident1 Ų157.3 Ų57.31%0.0134%0.34CS..  trans-125.3-172.1-178.500000113.3Y177 V178 P179Y177-G282 PolarHBondContact O-N 3.39Å; V178-G282 WeakPolarHBondContact CG1-O 3.44Å; P179-G282 WeakPolarHBondContact CD-O 3.42Å
283N95.9Very high83.1Confident53 Ų5355.9 Ų55.928%0.28335%0.346SS..SBendtrans-110.5-29.4177.2-50.691.8000112M135 L136 Q249M135-N283 WeakPolarHBondContact CA-OD1 3.38Å; M135-N283 HydrophobicContact CB-CB 3.98Å; M135-N283 HydrophobicContact CG-CB 4.05Å; M135-N283 HydrophobicContact SD-CB 4.43Å; L136-N283 PolarHBondContact N-OD1 2.94Å; L136-N283 PolarHBondContact O-N 2.7Å; Q249-N283 PolarHBondContact OE1-OD1 3.09Å
284I95.9Very high80.5Confident67 Ų6762.6 Ų62.634%0.34438%0.38SS..BIsolated β-bridgetrans-110.3123175.6-50179.4000107.8L136 N137 L138L136-I284 PolarHBondContact O-N 2.74Å; N137-I284 HydrophobicContact CB-CB 4.37Å; N137-I284 HydrophobicContact CB-CD1 4.04Å; L138-I284 WeakPolarHBondContact CB-O 3.39Å; L138-I284 WeakPolarHBondContact CG-O 3.24Å; L138-I284 PolarHBondContact N-O 2.68Å
285P94.6Very high77.8Confident53 Ų5365.8 Ų65.834%0.34440%0.402SS..  trans-67.7159.5-176.129.2-35.6000112.2N139 V178N139-P285 PolarHBondContact ND2-O 2.72Å; V178-P285 HydrophobicContact CG1-CB 4.08Å; V178-P285 HydrophobicContact CG2-CB 4.27Å
286V91.9Very high75.1Confident13 Ų1371.9 Ų71.98%0.07944%0.439CS..  trans-64134.4172.6-177.40000109.5L138 I144 L288L138-V286 HydrophobicContact CB-CG2 3.77Å; L138-V286 HydrophobicContact CD1-CG2 4.18Å; I144-V286 HydrophobicContact CG1-CG2 3.77Å; I144-V286 HydrophobicContact CG2-CG1 4.36Å; I144-V286 HydrophobicContact CG2-CG2 4.36Å; V286-L288 HydrophobicContact CG1-CD2 4.45Å; V286-L288 PolarHBondContact O-N 2.87Å
287N88.3Confident72.7Confident104 Ų10473.6 Ų73.656%0.55645%0.454SS*.  trans-7492.4173.8-68.7-30.9000109N139 S289N139-N287 WeakPolarHBondContact OD1-CB 3.41Å; N139-N287 PolarHBondContact OD1-N 2.89Å; N139-N287 PolarHBondContact OD1-ND2 2.89Å; N287-S289 PolarHBondContact O-N 3.34Å
288L74Confident70.1Confident121 Ų12179.5 Ų79.563%0.63449%0.493SS*.  trans-74.775.2169.7-61.1173.6000108.4V286 P290V286-L288 HydrophobicContact CG1-CD2 4.45Å; V286-L288 PolarHBondContact O-N 2.87Å; L288-P290 WeakPolarHBondContact O-CD 3.34Å
289S61.8Low67.4Low93 Ų9382 Ų8265%0.6551%0.511SS*.  trans-58.4122.8163.4-39.60000106.1N287 V291N287-S289 PolarHBondContact O-N 3.34Å; S289-V291 PolarHBondContact O-N 2.91Å
290P50.8Low64.9Low120 Ų12087.6 Ų87.678%0.77955%0.551SS**  trans-56.5117.9165.7-14.427000105.2L288 G292L288-P290 WeakPolarHBondContact O-CD 3.34Å; P290-G292 PolarHBondContact O-N 3.29Å
291V46.3Very low62.2Low145 Ų14590 Ų9088%0.87958%0.575SS**  trans-55.6101.3163.7172.50000104.2S289 S293S289-V291 PolarHBondContact O-N 2.91Å; V291-S293 PolarHBondContact O-N 2.91Å
292G41.4Very low59.3Low55 Ų5598.4 Ų98.457%0.56762%0.619SS**  trans-55119.5-177.400000106.9P290 I294P290-G292 PolarHBondContact O-N 3.29Å; G292-I294 VanDerWaalsContact C-N 3.28Å; G292-I294 PolarHBondContact O-N 2.89Å
293S38.9Very low56.4Low110 Ų110102.5 Ų102.577%0.76965%0.653SS**  trans-48.4104.8153.448.20000106.1V291 P295V291-S293 PolarHBondContact O-N 2.91Å; S293-P295 WeakPolarHBondContact O-CD 3.22Å
294I41.1Very low53.8Low145 Ų145105.7 Ų105.774%0.74468%0.676SS**  trans-54.3114.2168.7-61.4168000104.4G292 T296G292-I294 VanDerWaalsContact C-N 3.28Å; G292-I294 PolarHBondContact O-N 2.89Å; I294-T296 VanDerWaalsContact C-N 3.32Å; I294-T296 PolarHBondContact O-N 2.84Å
295P40Very low50.8Low115 Ų115107.8 Ų107.875%0.74770%0.697SS**  trans-69.6104164.81.915.1000104.1S293 S297S293-P295 WeakPolarHBondContact O-CD 3.22Å; P295-S297 PolarHBondContact O-N 2.99Å
296T39.9Very low47.8Very low130 Ų130110.1 Ų110.180%0.79872%0.721SS**  trans-62.590.8164.8-6.10000106.3I294 P298I294-T296 VanDerWaalsContact C-N 3.32Å; I294-T296 PolarHBondContact O-N 2.84Å; T296-P298 WeakPolarHBondContact O-CD 3.3Å
297S46.2Very low45Very low101 Ų101116.5 Ų116.571%0.70676%0.76SS**  trans-62.9122167.651.30000107.5P295 S299P295-S297 PolarHBondContact O-N 2.99Å; S297-S299 PolarHBondContact O-N 3.06Å; S297-S299 VanDerWaalsContact O-N 3.16Å
298P42.4Very low42.3Very low126 Ų126114.9 Ų114.982%0.81877%0.768SS**  trans-68.5116.9174.226.4-29.7000108.3T296 S300T296-P298 WeakPolarHBondContact O-CD 3.3Å; P298-S300 PolarHBondContact O-N 2.97Å
299S37.1Very low40.3Very low108 Ų108116.1 Ų116.176%0.75578%0.78SS**  trans-57.6115.9169.448.70000109.6S297 S301S297-S299 PolarHBondContact O-N 3.06Å; S297-S299 VanDerWaalsContact O-N 3.16Å; S299-S301 PolarHBondContact O-N 3.41Å
300S44.9Very low39.2Very low121 Ų121118.9 Ų118.985%0.84679%0.785SS**  trans-74.5106.5165.757.10000109.1P298P298-S300 PolarHBondContact O-N 2.97Å
301S38.9Very low38.6Very low109 Ų109119.2 Ų119.276%0.76279%0.786SS**  trans-123.1129.9160.555.80000109.6S299S299-S301 PolarHBondContact O-N 3.41Å
302L37.6Very low38.3Very low176 Ų176116.8 Ų116.892%0.92178%0.776SS**  trans-66.6144.1-176.4-71.299.4000112
303A37.1Very low37.9Very low88 Ų88118.7 Ų118.773%0.72779%0.787SS**  trans-71.8167.8166.100000111.4
304P41.1Very low38.1Very low119 Ų119118.7 Ų118.777%0.77378%0.784SS**  -148.3146.677.836.9-16.9000118
305S32.1Very low38Very low112 Ų112117.7 Ų117.778%0.78379%0.787SS**  trans47.7125.1141.859.40000123.1
306A32.6Very low37.8Very low102 Ų102119 Ų11984%0.84379%0.792SS**  -167.7149.2115.900000112.6
307T33.1Very low37.6Very low147 Ų147121.6 Ų121.690%0.90280%0.795SS**  trans-51.6150.3-176.841.20000118.4
308G31.2Very low37Very low70 Ų70125.2 Ų125.272%0.72280%0.801SS**  trans151.4103.7140.700000118.8
309V31.7Very low36.6Very low146 Ų146126.7 Ų126.789%0.88580%0.802SS**  trans76.2112.3139.9-166.30000119.7
310M37.9Very low37.1Very low152 Ų152125.8 Ų125.875%0.74979%0.794SS**  trans-80.5154159.7-174.6167.982.700110.5
311P38.5Very low36.5Very low126 Ų126128.1 Ų128.182%0.81880%0.797SS**  -135.1150.5115.828.2-12000113.8
312S40.5Very low36.4Very low94 Ų94126.4 Ų126.466%0.65780%0.796SS**  trans-90.6152.3172.7-760000112.2
313A32.7Very low35.9Very low96 Ų96127.5 Ų127.579%0.79380%0.796SS**  trans150.5160133.900000111.9
314P42.7Very low35.8Very low109 Ų109131.8 Ų131.871%0.70881%0.806SS**  cis-128.1176.7-44.236.8-20.6000111.8
315P40.3Very low35.2Very low125 Ų125129.7 Ų129.781%0.81281%0.805SS**  trans-82140172.332.2-27.8000110.8
316V35.6Very low35.1Very low141 Ų141129.3 Ų129.386%0.85581%0.809SS**  trans-106.9121.2172.1171.10000108.7
317E35.2Very low35Very low185 Ų185127.1 Ų127.186%0.86480%0.797SS**  trans-79.2161.3171.5-66.4-167.5144.200112.4
318H34.4Very low34.9Very low177 Ų177123.3 Ų123.382%0.81979%0.787SS**  trans-33.8146-178.9-80.7-69.6000119.5
319D33.7Very low35.5Very low157 Ų157129.3 Ų129.384%0.8479%0.793SS**  -155.4156.8106.9-116.6-18.2000111.7
320P46.9Very low36.3Very low90 Ų90127.6 Ų127.658%0.58478%0.784SS**  trans-93.2149.2-16537.6-34.1000111.2
321D32.5Very low37.3Very low170 Ų170123 Ų12391%0.90977%0.767SS**  trans-165.6124.5142-98.5-32000111.2
322G36.2Very low39.4Very low72 Ų72122 Ų12274%0.74275%0.751SS**  trans66.183.6143.900000119
323E28.7Very low41.4Very low199 Ų199123.5 Ų123.593%0.9375%0.747SS**  trans-143.9113.3136.4-126.3174.6130.500111.4G325E323-G325 PolarHBondContact O-N 2.83Å; E323-G325 VanDerWaalsContact O-N 3.17Å
324L33.1Very low44.1Very low179 Ų179119.9 Ų119.994%0.93771%0.714SS**  trans-60.9111.9-178.1-75.2154.2000110.5A326L324-A326 PolarHBondContact O-N 2.76Å
325G29.5Very low45.9Very low74 Ų74118.9 Ų118.976%0.76371%0.708SS**  trans25.184.7148.700000117.4E323 G327E323-G325 PolarHBondContact O-N 2.83Å; E323-G325 VanDerWaalsContact O-N 3.17Å; G325-G327 VanDerWaalsContact C-N 3.27Å; G325-G327 PolarHBondContact O-N 2.77Å
326A30.9Very low48Very low104 Ų104115.6 Ų115.686%0.8669%0.686SS**  trans-67.895.2148.200000107.3L324 G328L324-A326 PolarHBondContact O-N 2.76Å; A326-G328 PolarHBondContact O-N 2.85Å; A326-G328 VanDerWaalsContact O-N 3.12Å
327G30.2Very low50.3Low57 Ų57114.7 Ų114.759%0.58867%0.67SS**  trans-51.5120172.700000109.4G325 F329G325-G327 VanDerWaalsContact C-N 3.27Å; G325-G327 PolarHBondContact O-N 2.77Å; G327-F329 PolarHBondContact O-N 3.2Å; G327-F329 VanDerWaalsContact O-N 3.08Å
328G31.4Very low52.8Low67 Ų67108.8 Ų108.869%0.69165%0.65SS**  trans-50.7120.4167.700000108A326 T330A326-G328 PolarHBondContact O-N 2.85Å; A326-G328 VanDerWaalsContact O-N 3.12Å; G328-T330 PolarHBondContact O-N 3.13Å
329F42.3Very low55.4Low195 Ų195101.5 Ų101.586%0.85562%0.616SS**  trans-66.488.5169.8-68.4-80.8000107G327 S331G327-F329 PolarHBondContact O-N 3.2Å; G327-F329 VanDerWaalsContact O-N 3.08Å; F329-S331 PolarHBondContact O-N 2.81Å
330T49.8Very low57.9Low111 Ų11197.6 Ų97.668%0.68160%0.601SS**  trans-64.1101.9166.150.60000106.4G328 E332G328-T330 PolarHBondContact O-N 3.13Å; T330-E332 PolarHBondContact O-N 2.9Å
331S58Low59.7Low56 Ų5696.3 Ų96.339%0.39259%0.587SS.*  trans-67.9110.7168.7-167.80000107.2H235 F329H235-S331 PolarHBondContact CE1-OG 3.12Å; H235-S331 PolarHBondContact ND1-OG 2.88Å; F329-S331 PolarHBondContact O-N 2.81Å
332E82.6Confident61.6Low103 Ų10394.6 Ų94.648%0.48157%0.574SS.*EExtended strand (participates in β ladder)trans-78.3130.2174.9-73.2176.6177.900108.9A236 E237 T330A236-E332 WeakPolarHBondContact CA-O 3.26Å; A236-E332 WeakPolarHBondContact CB-O 3.49Å; E237-E332 PolarHBondContact N-O 2.83Å; T330-E332 PolarHBondContact O-N 2.9Å
333E82.2Confident62Low127 Ų12797 Ų9759%0.59357%0.569SS**EExtended strand (participates in β ladder)trans-82.2131.3171.4-171.4164.8-157.500109.3E237E237-E333 VanDerWaalsContact O-CA 3.31Å; E237-E333 WeakPolarHBondContact O-CA 3.41Å
334I89.3Confident62.8Low19 Ų1993.7 Ų93.710%0.09757%0.565CS.*PPolyproline II helixtrans-97.6136.9-175-66175.5000110.8A228 V230 A236 E237A228-I334 HydrophobicContact CB-CG2 3.36Å; V230-I334 HydrophobicContact CB-CD1 4.45Å; V230-I334 HydrophobicContact CG2-CD1 3.58Å; A236-I334 HydrophobicContact CB-CD1 3.2Å; A236-I334 HydrophobicContact CB-CG1 3.64Å; E237-I334 PolarHBondContact O-N 3.27Å
335P81.5Confident63.1Low89 Ų8989.3 Ų89.358%0.57855%0.549SS*.PPolyproline II helixtrans-73.9149.7177.930.7-36.6000113A228A228-P335 HydrophobicContact CB-CG 4.48Å; A228-P335 PolarHBondContact N-O 3.36Å
336T84.7Confident63.4Low55 Ų5590.2 Ų90.234%0.33755%0.55SS..EExtended strand (participates in β ladder)trans-79.6133.8169.2-57.40000110.3E226 W238 E240E226-T336 CarbonylContact O-C 3.52Å; E226-T336 VanDerWaalsContact O-CG2 3.24Å; E226-T336 WeakPolarHBondContact O-CG2 3.24Å; W238-T336 PolarHBondContact NE1-OG1 2.74Å; E240-T336 WeakPolarHBondContact OE2-CB 3.48Å; E240-T336 WeakPolarHBondContact OE2-CG2 3.35Å; E240-T336 PolarHBondContact OE2-OG1 2.79Å
337K83.6Confident63.4Low122 Ų12289.9 Ų89.953%0.5354%0.541SS..EExtended strand (participates in β ladder)trans-95.5-37.7-178.1-71.1178.1167.7179.30113.1E226E226-K337 HydrophobicContact CG-CB 4.4Å; E226-K337 HydrophobicContact CG-CD 4.45Å; E226-K337 PolarHBondContact O-N 2.98Å; E226-K337 VanDerWaalsContact OE1-CD 3.23Å; E226-K337 WeakPolarHBondContact OE1-CD 3.43Å
338S86.5Confident63.5Low62 Ų6292.5 Ų92.543%0.43455%0.548SS..EExtended strand (participates in β ladder)trans-155149179.266.70000111.6V225 E226V225-S338 WeakPolarHBondContact CA-O 3.42Å; E226-S338 WeakPolarHBondContact CB-OG 3.38Å; E226-S338 PolarHBondContact N-O 2.8Å; E226-S338 PolarHBondContact O-N 3.01Å
339H90Very high63.3Low24 Ų2494.9 Ų94.911%0.11155%0.549CS..EExtended strand (participates in β ladder)trans-136.6116179.2-170.1-23.1000109V225 E240 Q241 Q341 Q342V225-H339 HydrophobicContact CG1-CB 4.16Å; V225-H339 VanDerWaalsContact CG1-CE1 3.42Å; V225-H339 WeakPolarHBondContact CG1-CE1 3.4Å; V225-H339 VanDerWaalsContact CG1-ND1 3.3Å; V225-H339 WeakPolarHBondContact CG1-ND1 2.89Å; E240-H339 IonicContact OE1-CD2 3.87Å; Q241-H339 PolarHBondContact O-NE2 3.16Å; H339-Q341 PolarHBondContact CE1-OE1 2.97Å; H339-Q341 PolarHBondContact ND1-N 2.72Å; H339-Q341 PolarHBondContact O-N 2.86Å; H339-Q342 HydrophobicContact CB-CB 4.12Å; H339-Q342 HydrophobicContact CB-CG 3.98Å; H339-Q342 PolarHBondContact O-N 2.84Å
340S86.1Confident62.7Low75 Ų7591.4 Ų91.452%0.52454%0.543SS..THydrogen-bonded Turntrans-65.6-10.1-173.677.60000114.5E224E224-S340 PolarHBondContact N-OG 2.89Å; E224-S340 VanDerWaalsContact O-CB 3.31Å; E224-S340 WeakPolarHBondContact O-CB 3.38Å; E224-S340 PolarHBondContact O-N 3.45Å; E224-S340 PolarHBondContact O-OG 2.87Å
341Q84.9Confident61.6Low63 Ų6394 Ų9429%0.29455%0.55SS..THydrogen-bonded Turntrans-105.3-6-179.2-53-176.4-60.400111.9A223 I243 H339A223-Q341 HydrophobicContact CB-CG 3.98Å; I243-Q341 PolarHBondContact O-NE2 2.79Å; H339-Q341 PolarHBondContact CE1-OE1 2.97Å; H339-Q341 PolarHBondContact ND1-N 2.72Å; H339-Q341 PolarHBondContact O-N 2.86Å
342Q71.9Confident60.1Low134 Ų13496.5 Ų96.563%0.62657%0.568SS**SBendtrans-97.3131.1170.8-67.1-179.1-5.800108.5H339 P344H339-Q342 HydrophobicContact CB-CB 4.12Å; H339-Q342 HydrophobicContact CB-CG 3.98Å; H339-Q342 PolarHBondContact O-N 2.84Å; Q342-P344 WeakPolarHBondContact O-CD 3.27Å
343D45.2Very low57.6Low121 Ų12197 Ų9765%0.64758%0.58SS**  trans-68.9121.3179.2-157.2-31.6000109.3S345D343-S345 PolarHBondContact O-N 2.9Å; D343-S345 PolarHBondContact OD1-N 2.83Å; D343-S345 PolarHBondContact OD1-OG 3.27Å
344P44.7Very low55.1Low130 Ų13096.7 Ų96.784%0.84459%0.592SS**THydrogen-bonded Turntrans-69.96.417926.9-32.6000113.9Q342Q342-P344 WeakPolarHBondContact O-CD 3.27Å
345S40.5Very low52.2Low87 Ų8799.5 Ų99.561%0.60862%0.617SS**THydrogen-bonded Turntrans-91.3-0-176.359.60000116.1D343 S347D343-S345 PolarHBondContact O-N 2.9Å; D343-S345 PolarHBondContact OD1-N 2.83Å; D343-S345 PolarHBondContact OD1-OG 3.27Å; S345-S347 PolarHBondContact O-N 3.4Å
346A35.3Very low49.7Very low93 Ų93104.7 Ų104.777%0.76963%0.631SS**  trans-95.574.4172.700000111.5
347S31Very low47Very low97 Ų97106.1 Ų106.168%0.67864%0.644SS**  trans-85.9135.216551.70000110S345 V349S345-S347 PolarHBondContact O-N 3.4Å; S347-V349 PolarHBondContact O-N 3.3Å
348P32.3Very low44.3Very low113 Ų113109.3 Ų109.373%0.73466%0.66SS**  trans-71.7119.9172.228.3-29.7000108.5T350P348-T350 PolarHBondContact O-N 2.96Å
349V27.6Very low41.4Very low117 Ų117110.7 Ų110.771%0.70968%0.675SS**  trans-62.6100177-179.40000108.7S347 M351S347-V349 PolarHBondContact O-N 3.3Å; V349-M351 HydrophobicContact CG1-CE 3.99Å; V349-M351 HydrophobicContact CG1-CG 4.22Å; V349-M351 HydrophobicContact CG1-SD 4.13Å
350T28.1Very low39Very low121 Ų121115.6 Ų115.674%0.74271%0.709SS**  trans-91.299.1168.4-52.40000107.4P348 S352P348-T350 PolarHBondContact O-N 2.96Å; T350-S352 PolarHBondContact O-N 3.31Å
351M27.6Very low36.1Very low166 Ų166115.9 Ų115.982%0.81872%0.723SS**  trans-63.8125174.8-69.8-70.3-170.500109.9V349V349-M351 HydrophobicContact CG1-CE 3.99Å; V349-M351 HydrophobicContact CG1-CG 4.22Å; V349-M351 HydrophobicContact CG1-SD 4.13Å
352S26Very low33.5Very low109 Ų109118.1 Ų118.176%0.76275%0.753SS**  trans-112.2136.5166.1-64.70000109.6T350T350-S352 PolarHBondContact O-N 3.31Å
353P31.6Very low31.3Very low114 Ų114116 Ų11674%0.7476%0.758SS**  trans-96.3148.9-174.335.8-31.3000113.2
354S28.6Very low30.4Very low120 Ų120118 Ų11884%0.83977%0.768SS**  trans77.8138165.4-27.60000115
355A28.1Very low30Very low77 Ų77117.2 Ų117.264%0.63676%0.763SS**  cis-171.2145.232.800000111.3
356F29.1Very low29.8Very low199 Ų199119.5 Ų119.587%0.87378%0.776SS**  trans46.3138.6145.6-63.8-78.4000120.5
357S27.9Very low29.4Very low85 Ų85118.4 Ų118.459%0.59477%0.773SS**  cis-175.615521.2-107.40000111.5
358H28Very low29.2Very low189 Ų189125.9 Ų125.988%0.87579%0.787SS**  trans65.3134.4150.2-69.6-63.9000124.3
359A25.5Very low29Very low90 Ų90128.2 Ų128.274%0.74479%0.792SS**  trans-93.7-157.6-175.300000112.6
360P39Very low29Very low128 Ų128128.4 Ų128.483%0.83180%0.796SS**  cis-131.9171.2-38.724.4-3000113.3
361G25.4Very low28.8Very low80 Ų80126.1 Ų126.183%0.82580%0.797SS**  trans110.2115139.600000118.6
362A29.8Very low29Very low111 Ų111123.2 Ų123.292%0.91780%0.799SS**  trans-178.6133132.400000109.6
363A25.9Very low29.1Very low88 Ų88124.1 Ų124.173%0.72780%0.8SS**  trans-110.9160.2-178.900000111.9
364L27.1Very low28.9Very low165 Ų165123.1 Ų123.186%0.86480%0.801SS**  trans89.1154.5160.4-54.1170.8000117.8
365P35.5Very low28.9Very low113 Ų113122.8 Ų122.873%0.73480%0.796SS**  cis-129.9-177.8-15.125.1-0.8000113.6
366P36.8Very low28.7Very low135 Ų135126.9 Ų126.988%0.87781%0.807SS**  trans-88.2130.9-177.233.9-29.6000112.3
367G27Very low28.4Very low70 Ų70126.1 Ų126.172%0.72280%0.803SS**  trans-142.9119.5178.500000111.7
368R26.6Very low28.3Very low253 Ų253128.1 Ų128.196%0.95582%0.816SS**  trans-48.3134.2-179.6-75.4167.9160.3-178.7-6.4114.1
369L27Very low28.2Very low162 Ų162124.1 Ų124.185%0.84880%0.8SS**  trans-125.9138.9155.3-95.9143.1000108.9G371L369-G371 PolarHBondContact O-N 2.8Å
370P27.7Very low28.3Very low121 Ų121124.6 Ų124.679%0.78680%0.798SS**  trans-73.5126.9175.4-016.8000109.4A372P370-A372 PolarHBondContact O-N 2.81Å; P370-A372 VanDerWaalsContact O-N 3.11Å
371G24.3Very low28.2Very low74 Ų74123 Ų12376%0.76379%0.786SS**  trans-64.8107.1175.800000111.6L369L369-G371 PolarHBondContact O-N 2.8Å
372A32.3Very low28.6Very low104 Ų104120 Ų12086%0.8676%0.756SS**  trans-92.885.3155.200000107.7P370P370-A372 PolarHBondContact O-N 2.81Å; P370-A372 VanDerWaalsContact O-N 3.11Å
373T27.7Very low28.8Very low129 Ų129117.6 Ų117.679%0.79174%0.736SS**  trans-110.297.6165.635.50000107.8
374A27Very low29.2Very low93 Ų93115.8 Ų115.877%0.76972%0.716SS**PPolyproline II helixtrans-58.1128.4157.600000108.1L376A374-L376 PolarHBondContact O-N 2.78Å
375P28.5Very low29.6Very low113 Ų113112.3 Ų112.373%0.73470%0.697SS**PPolyproline II helixtrans-75128.2168.31.713.8000108.7F377P375-F377 PolarHBondContact O-N 2.95Å
376L25.7Very low29.5Very low163 Ų163109.2 Ų109.285%0.85368%0.677SS**PPolyproline II helixtrans-56.7121.5162.3-73.8159.9000108.4A374 C378A374-L376 PolarHBondContact O-N 2.78Å; L376-C378 PolarHBondContact O-N 2.86Å
377F22.6Very low29.5Very low183 Ų183112.9 Ų112.980%0.80368%0.68SS**  trans-66.993.6175.3-81.2-89.1000110.4P375 L379P375-F377 PolarHBondContact O-N 2.95Å; F377-L379 HydrophobicContact CD1-CD1 4.19Å; F377-L379 HydrophobicContact CD1-CG 4.21Å; F377-L379 PolarHBondContact O-N 2.84Å
378C24.6Very low30.2Very low126 Ų126117 Ų11785%0.85168%0.678SS**  trans-87.181158.7-74.10000108.7L376 S380L376-C378 PolarHBondContact O-N 2.86Å; C378-S380 PolarHBondContact O-N 2.78Å; C378-S380 VanDerWaalsContact O-N 3.08Å
379L25.3Very low30.3Very low105 Ų105111.8 Ų111.855%0.5567%0.674SS.*  trans-78.889.4170.6-73168000109.3R220 F377 T381R220-L379 PolarHBondContact NH1-O 3.3Å; R220-L379 PolarHBondContact NH2-O 2.74Å; F377-L379 HydrophobicContact CD1-CD1 4.19Å; F377-L379 HydrophobicContact CD1-CG 4.21Å; F377-L379 PolarHBondContact O-N 2.84Å; L379-T381 VanDerWaalsContact C-N 3.34Å; L379-T381 HydrophobicContact CD2-CG2 4.44Å; L379-T381 PolarHBondContact O-N 2.7Å
380S28.8Very low30.4Very low101 Ų101113.6 Ų113.671%0.70668%0.678SS**  trans-85.876.6158-166.30000109.5C378C378-S380 PolarHBondContact O-N 2.78Å; C378-S380 VanDerWaalsContact O-N 3.08Å
381T36.3Very low30.6Very low93 Ų93110.4 Ų110.457%0.57167%0.668SS**  trans-99.896.1168.250.90000109.7R220 L379R220-T381 VanDerWaalsContact NH1-N 3.13Å; R220-T381 PolarHBondContact NH1-O 3.09Å; L379-T381 VanDerWaalsContact C-N 3.34Å; L379-T381 HydrophobicContact CD2-CG2 4.44Å; L379-T381 PolarHBondContact O-N 2.7Å
382G33.8Very low31.1Very low19 Ų19115.4 Ų115.420%0.19668%0.677CS.*  trans-174.234.5175.400000110.6P246P246-G382 VanDerWaalsContact O-O 3.12Å
383A33.8Very low31.1Very low60 Ų60116 Ų11650%0.49667%0.67SS.*  trans-96.2114.5-176.600000110I385 P386A383-I385 PolarHBondContact O-N 3.06Å; A383-P386 HydrophobicContact CB-CG 3.56Å
384T34.9Very low31.2Very low50 Ų50116.8 Ų116.831%0.30767%0.669SS.*SBendtrans-79.672.9173.9-45.50000109.9L247 P248L247-T384 PolarHBondContact O-OG1 3.39Å; P248-T384 WeakPolarHBondContact CA-OG1 3.19Å; P248-T384 VanDerWaalsContact N-OG1 3.09Å
385I35.7Very low31.3Very low91 Ų91118.2 Ų118.247%0.46767%0.671SS.*  trans95.2101.6-176.1-50.3155.5000112.2V17 A383V17-I385 HydrophobicContact CG1-CD1 4.42Å; V17-I385 HydrophobicContact CG2-CD1 4.27Å; A383-I385 PolarHBondContact O-N 3.06Å
386P34.2Very low31.4Very low48 Ų48119.7 Ų119.731%0.31267%0.671SS.*  trans-94.5143155.4-12.234.3000108.8A383 F388A383-P386 HydrophobicContact CB-CG 3.56Å; P386-F388 HydrophobicContact CB-CD1 4.17Å; P386-F388 HydrophobicContact CB-CD2 3.6Å; P386-F388 HydrophobicContact CB-CE1 3.83Å; P386-F388 HydrophobicContact CB-CE2 3.29Å; P386-F388 HydrophobicContact CB-CG 4.06Å; P386-F388 HydrophobicContact CB-CZ 3.39Å; P386-F388 VanDerWaalsContact CD-CE2 3.44Å; P386-F388 HydrophobicContact CG-CD2 3.8Å; P386-F388 HydrophobicContact CG-CE1 4.26Å; P386-F388 HydrophobicContact CG-CE2 3.06Å; P386-F388 HydrophobicContact CG-CZ 3.33Å; P386-F388 PolarHBondContact O-N 3.41Å; P386-F388 VanDerWaalsContact O-N 3.11Å
387F36.5Very low31.5Very low213 Ų213117.9 Ų117.993%0.93467%0.669SS**  trans-52115.6150.8-71.1-93.1000107.4
388F41.4Very low31.9Very low157 Ų157115.2 Ų115.269%0.68967%0.668SS**  trans-127.8116172.7-74.7-56.6000110.3P386P386-F388 HydrophobicContact CB-CD1 4.17Å; P386-F388 HydrophobicContact CB-CD2 3.6Å; P386-F388 HydrophobicContact CB-CE1 3.83Å; P386-F388 HydrophobicContact CB-CE2 3.29Å; P386-F388 HydrophobicContact CB-CG 4.06Å; P386-F388 HydrophobicContact CB-CZ 3.39Å; P386-F388 VanDerWaalsContact CD-CE2 3.44Å; P386-F388 HydrophobicContact CG-CD2 3.8Å; P386-F388 HydrophobicContact CG-CE1 4.26Å; P386-F388 HydrophobicContact CG-CE2 3.06Å; P386-F388 HydrophobicContact CG-CZ 3.33Å; P386-F388 PolarHBondContact O-N 3.41Å; P386-F388 VanDerWaalsContact O-N 3.11Å
389T28.2Very low32.2Very low142 Ų142114.4 Ų114.487%0.87166%0.663SS**  trans-85.2128.7160.9460000108.5
390E29.8Very low32.3Very low200 Ų200115 Ų11594%0.93568%0.675SS**  trans-102.8114.4168.7-164.2168.1-158.800107.4
391G31.8Very low32.3Very low55 Ų55115.5 Ų115.557%0.56768%0.678SS**SBendtrans151.1135.5175.200000113.4V393G391-V393 VanDerWaalsContact C-N 3.27Å; G391-V393 PolarHBondContact O-N 2.97Å
392D34.3Very low32Very low178 Ų178118.9 Ų118.995%0.95269%0.692SS**  trans-64.684.4171.2-163.915.8000109.4
393V33.1Very low31.9Very low117 Ų117126 Ų12671%0.70972%0.724SS**  trans-137.4121.3178.3-171.40000107.5G391G391-V393 VanDerWaalsContact C-N 3.27Å; G391-V393 PolarHBondContact O-N 2.97Å
394N28.2Very low31.8Very low145 Ų145130.2 Ų130.278%0.77574%0.737SS**  trans-47.8128.5171.1-77.4-38.7000109.8I396N394-I396 PolarHBondContact O-N 3.33Å; N394-I396 VanDerWaalsContact O-N 3.08Å
395P30.1Very low31.4Very low124 Ų124133.2 Ų133.281%0.80576%0.758SS**  trans-66.2114.7-175.925.1-32.2000110.1
396I30.9Very low31.2Very low143 Ų143134.7 Ų134.773%0.73377%0.773SS**  trans-83.3124.6160.5-63.7171.5000106N394 T398N394-I396 PolarHBondContact O-N 3.33Å; N394-I396 VanDerWaalsContact O-N 3.08Å; I396-T398 PolarHBondContact O-N 3.45Å; I396-T398 VanDerWaalsContact O-N 3.1Å
397P28.1Very low31.1Very low125 Ų125140.9 Ų140.981%0.81280%0.798SS**  trans-68.7110.2178.5-10.424.4000109.4
398T29.8Very low30.7Very low128 Ų128141.3 Ų141.379%0.78580%0.795SS**  trans-89111166.4-22.90000108I396 C400I396-T398 PolarHBondContact O-N 3.45Å; I396-T398 VanDerWaalsContact O-N 3.1Å; T398-C400 PolarHBondContact O-N 2.95Å
399S31.4Very low30.2Very low108 Ų108139.5 Ų139.576%0.75580%0.802SS**  trans-63.9106.8173.751.40000110.8
400C27.3Very low30.3Very low118 Ų118138.3 Ų138.380%0.79780%0.799SS**  trans-112104.3161.3-80.70000108.1T398 L402T398-C400 PolarHBondContact O-N 2.95Å; C400-L402 PolarHBondContact O-N 2.84Å
401S29Very low30.3Very low111 Ų111134 Ų13478%0.77679%0.79SS**  trans-69.5112.6-177.7-360000110.6I403S401-I403 PolarHBondContact O-N 3.46Å
402L29.7Very low30.3Very low165 Ų165139.2 Ų139.286%0.86481%0.805SS**  trans-69.6119.5160.2-73.1166.6000107.7C400 L404C400-L402 PolarHBondContact O-N 2.84Å; L402-L404 PolarHBondContact O-N 3.43Å
403I31.4Very low30.2Very low169 Ų169141 Ų14187%0.86780%0.8SS**  trans-68.4109.3176-62.6169000107.9S401S401-I403 PolarHBondContact O-N 3.46Å
404L32.4Very low30.5Very low147 Ų147140.6 Ų140.677%0.7780%0.799SS**  trans-91.9150.9163.4-72.4169.2000109.3L402L402-L404 PolarHBondContact O-N 3.43Å
405P27.2Very low31.2Very low113 Ų113143.4 Ų143.473%0.73481%0.808SS**  trans-67.9153.7178.328.6-32.5000111.6
406P31.5Very low32.2Very low122 Ų122145.5 Ų145.579%0.79281%0.807SS**  trans-100.499.5-155.435-25.7000111.4
407E31.3Very low33.2Very low179 Ų179144 Ų14484%0.83681%0.807SS**  trans-142.4128.9159-69-163.6179.900112.4
408Y28.2Very low34.6Very low222 Ų222143.6 Ų143.687%0.87180%0.804SS**  trans73.785.4177.2-73.1-86.3000119.4S410Y408-S410 PolarHBondContact O-N 2.87Å
409S31.4Very low36.1Very low118 Ų118141.6 Ų141.683%0.82579%0.793SS**  trans-45.3124.7153.7-52.50000112.3
410S29.1Very low37.7Very low118 Ų118141 Ų14183%0.82579%0.785SS**  trans-105.1120.4154.546.90000107.5Y408Y408-S410 PolarHBondContact O-N 2.87Å
411C29.6Very low38.8Very low108 Ų108144.9 Ų144.973%0.7378%0.784SS**  trans-67.7135.9-179.8-66.30000110.1Y413C411-Y413 PolarHBondContact O-N 2.96Å; C411-Y413 VanDerWaalsContact O-N 3.13Å
412D31.5Very low40.2Very low165 Ų165147.4 Ų147.488%0.88278%0.784SS**  trans-56.1111.4163.1-75.5-50.9000109.4
413Y32.7Very low41.6Very low217 Ų217145.6 Ų145.685%0.85177%0.771SS**  trans-86.9123.9161.2-93.8-90.4000107.9C411 Q415C411-Y413 PolarHBondContact O-N 2.96Å; C411-Y413 VanDerWaalsContact O-N 3.13Å; Y413-Q415 PolarHBondContact O-N 2.95Å
414P38.9Very low42.7Very low107 Ų107141.7 Ų141.770%0.69576%0.758SS**  trans-65.2128.1164.925.1-28.8000109E416P414-E416 VanDerWaalsContact C-N 3.3Å; P414-E416 PolarHBondContact O-N 2.78Å
415Q44.5Very low43.5Very low205 Ų205139.2 Ų139.296%0.95875%0.753SS**  trans-69.790.8166.6-81.7-145-37.900109.1Y413Y413-Q415 PolarHBondContact O-N 2.95Å
416E49.4Very low44.8Very low167 Ų167138.6 Ų138.678%0.7875%0.751SS**  trans-136.8122.6159.6-136.5164-166.700107.1P414P414-E416 VanDerWaalsContact C-N 3.3Å; P414-E416 PolarHBondContact O-N 2.78Å
417P53.7Low45.7Very low113 Ų113137.8 Ų137.873%0.73475%0.748SS**PPolyproline II helixtrans-63.2136.8175.926.3-31.7000108.8
418P55.9Low46.5Very low115 Ų115135.4 Ų135.475%0.74775%0.745SS**PPolyproline II helixtrans-61.6145177.425.1-32.4000110.4
419P61.4Low47Very low86 Ų86132 Ų13256%0.55874%0.742SS**PPolyproline II helixtrans-61.7153.4179.825.5-33.6000111.4E423P419-E423 HydrophobicContact CB-CB 4.43Å
420T66.3Low47.5Very low96 Ų96131.6 Ų131.659%0.58974%0.74SS**PPolyproline II helixtrans-70147.4-176.2-27.20000109.7E422 E423T420-E422 PolarHBondContact O-N 3.22Å; T420-E423 PolarHBondContact N-OE2 2.84Å; T420-E423 PolarHBondContact O-N 2.89Å; T420-E423 PolarHBondContact OG1-OE2 2.9Å
421Y48.8Very low48.1Very low200 Ų200131.3 Ų131.378%0.78474%0.737SS**THydrogen-bonded Turntrans-50.7-28.1-176.8177.2-104000114.3
422E60.4Low48.8Very low163 Ų163135.8 Ų135.876%0.76275%0.745SS**THydrogen-bonded Turntrans-74.8-23.1177.9-61.1-168.4156.200113.7T420T420-E422 PolarHBondContact O-N 3.22Å
423E58.3Low49.1Very low127 Ų127134.6 Ų134.659%0.59374%0.738SS**THydrogen-bonded Turntrans-85.2-15-179.1-69.7172.3133.300113.3P419 T420P419-E423 HydrophobicContact CB-CB 4.43Å; T420-E423 PolarHBondContact N-OE2 2.84Å; T420-E423 PolarHBondContact O-N 2.89Å; T420-E423 PolarHBondContact OG1-OE2 2.9Å
424S54Low49.5Very low87 Ų87129 Ų12961%0.60873%0.731SS**THydrogen-bonded Turntrans-89.2-5.7177.5-74.20000114.5
425C49.4Very low49.6Very low96 Ų96127.5 Ų127.565%0.64974%0.735SS**SBendtrans-114.65.3-172.4-63.60000115.3
426S54Low49.2Very low100 Ų100131 Ų13170%0.69975%0.751SS**SBendtrans-118.420.1-17359.10000116.1
427S51.3Low49.2Very low104 Ų104129.2 Ų129.273%0.72775%0.75SS**  trans-126.358.1174.162.30000112.4
428V47.7Very low49Very low129 Ų129130 Ų13078%0.78275%0.751SS**  trans-138.891.8156.3-175.30000106.8
429D39.3Very low48.6Very low150 Ų150130.8 Ų130.880%0.80275%0.751SS**  trans160.7103.9143-85.4-23.1000109.6
430S40.7Very low47.9Very low111 Ų111133.5 Ų133.578%0.77676%0.762SS**  173.9118.212043.30000112.6
431S42Very low46.7Very low111 Ų111135.8 Ų135.878%0.77677%0.773SS**  trans75.595.6141.535.50000121
432F44Very low46.6Very low202 Ų202131.5 Ų131.589%0.88677%0.772SS**  -25.7131119.8-88.1-102.8000113.5
433N38Very low45.6Very low140 Ų140129.3 Ų129.375%0.74977%0.773SS**  -177.7143.3103.7-147.76.4000113
434S41.2Very low44.6Very low101 Ų101129.5 Ų129.571%0.70679%0.787SS**  trans42.8129.4148.257.20000120.2
435G41Very low43.8Very low75 Ų75133 Ų13377%0.77380%0.802SS**  cis118132.741.500000108.8
436Q37.5Very low43.3Very low277 Ų277136.4 Ų136.4100%1.29482%0.816SS**  trans86.30-176.1-103.9177.7-4.800118.2

Retrieved 436 of 436 residues in 227.5 ms (Link to these results)

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