A0A087Y386_POEFO Loading...

Ubiquitin-like protein

AlphaFold DB , UniProt , Accession A0A087Y386, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 117 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
1M39.4Very low63.6Low243 Ų24387 Ų87100%1.19756%0.557SS**  084.90-75.6163.8153.500106.8G3M1-G3 PolarHBondContact O-N 3.19Å
2S42Very low66Low120 Ų12079.8 Ų79.884%0.83951%0.511SS*.  trans-80.7100.6-175.2-53.40000108.2S4S2-S4 PolarHBondContact O-N 3.07Å; S2-S4 VanDerWaalsContact O-N 3.15Å
3G45.1Very low68.1Low69 Ų6980.9 Ų80.971%0.71150%0.499SS*.  trans-67.8105.616700000107.8M1 T5M1-G3 PolarHBondContact O-N 3.19Å; G3-T5 PolarHBondContact O-N 2.7Å
4S47.8Very low69.8Low94 Ų9475.1 Ų75.166%0.65746%0.463SS*.  trans-61.3101.5170.8-43.20000107.4S2 S6S2-S4 PolarHBondContact O-N 3.07Å; S2-S4 VanDerWaalsContact O-N 3.15Å; S4-S6 PolarHBondContact O-N 3.25Å
5T55Low71.3Confident90 Ų9072.3 Ų72.355%0.55244%0.444SS*.  trans-57.2126.8171.433.40000108.1G3 A7 D8G3-T5 PolarHBondContact O-N 2.7Å; T5-A7 PolarHBondContact O-N 3.29Å; T5-D8 PolarHBondContact O-N 2.85Å; T5-D8 PolarHBondContact OG1-OD2 3.07Å
6S58.9Low72.5Confident98 Ų9868.3 Ų68.369%0.68542%0.419SS*.G310 helixtrans-56.2-12.2-177.5-43.90000114S4 D8 M9S4-S6 PolarHBondContact O-N 3.25Å; S6-D8 VanDerWaalsContact C-N 3.28Å; S6-D8 PolarHBondContact O-N 3.23Å; S6-M9 PolarHBondContact O-N 2.87Å
7A64.8Low73.1Confident70 Ų7069.3 Ų69.358%0.57942%0.424SS*.G310 helixtrans-64.1-25.8172.600000114.1T5T5-A7 PolarHBondContact O-N 3.29Å
8D80.2Confident73.6Confident89 Ų8969.5 Ų69.548%0.47643%0.429SS..G310 helixtrans-95.81.9-178.5-62.8-80000113.2T5 S6 P28T5-D8 PolarHBondContact O-N 2.85Å; T5-D8 PolarHBondContact OG1-OD2 3.07Å; S6-D8 VanDerWaalsContact C-N 3.28Å; S6-D8 PolarHBondContact O-N 3.23Å; D8-P28 VanDerWaalsContact O-CD 3.26Å; D8-P28 WeakPolarHBondContact O-CD 3.35Å
9M85.8Confident74.2Confident43 Ų4368.5 Ų68.521%0.21243%0.434CS..  trans-98151.9179.2-58.1-170.286.600111.4S6 L25 G81S6-M9 PolarHBondContact O-N 2.87Å; M9-L25 HydrophobicContact CB-CD2 3.99Å; M9-L25 HydrophobicContact CE-CB 3.92Å; M9-L25 HydrophobicContact SD-CB 4.41Å; M9-G81 PolarHBondContact O-N 3.44Å; M9-G81 VanDerWaalsContact O-N 3.16Å
10I89.4Confident75Confident1 Ų167.9 Ų67.91%0.00543%0.425CS..EExtended strand (participates in β ladder)trans-105.8121.1175.6-60.3170.5000107.2L12 F26 P28 L73 L78 L80I10-L12 HydrophobicContact CG2-CD2 3.72Å; I10-L12 HydrophobicContact CG2-CG 4.21Å; I10-L12 PolarHBondContact O-N 3.36Å; I10-F26 PolarHBondContact N-O 2.84Å; I10-F26 PolarHBondContact O-N 2.76Å; I10-P28 HydrophobicContact CD1-CB 3.97Å; I10-L73 HydrophobicContact CB-CD1 4.27Å; I10-L73 HydrophobicContact CD1-CB 3.61Å; I10-L73 HydrophobicContact CD1-CD1 4.05Å; I10-L73 HydrophobicContact CD1-CG 4.48Å; I10-L73 HydrophobicContact CG2-CD1 4.39Å; I10-L78 HydrophobicContact CD1-CB 4.21Å; I10-L78 HydrophobicContact CG2-CD1 4.25Å; I10-L80 HydrophobicContact CD1-CD2 4.04Å; I10-L80 HydrophobicContact CG1-CD2 3.64Å
11N91.2Very high75.8Confident40 Ų4068.1 Ų68.121%0.21443%0.425CS..EExtended strand (participates in β ladder)trans-81.9114.1171.9-170.8-19.5000108.3F24 L25 T83 T84N11-F24 CarbonylContact C-O 3.57Å; N11-F24 PolarHBondContact OD1-O 3.12Å; N11-L25 HydrophobicContact CB-CD2 4.2Å; N11-T83 CarbonylContact O-C 3.51Å; N11-T83 VanDerWaalsContact O-CA 3.27Å; N11-T83 WeakPolarHBondContact O-CA 3.41Å; N11-T84 PolarHBondContact O-N 2.81Å
12L92Very high78.2Confident0 Ų060.5 Ų60.50%039%0.386CS..EExtended strand (participates in β ladder)trans-102.2120.1175.6-67.9-170.3000110.1I10 L14 E23 F24 F26 I35 L73 L78 T84 M86I10-L12 HydrophobicContact CG2-CD2 3.72Å; I10-L12 HydrophobicContact CG2-CG 4.21Å; I10-L12 PolarHBondContact O-N 3.36Å; L12-L14 HydrophobicContact CB-CD2 4.46Å; L12-E23 CarbonylContact O-C 3.53Å; L12-E23 WeakPolarHBondContact O-CA 3.23Å; L12-F24 PolarHBondContact N-O 2.85Å; L12-F24 PolarHBondContact O-N 3.07Å; L12-F26 HydrophobicContact CB-CD2 4.05Å; L12-F26 HydrophobicContact CB-CE2 4.43Å; L12-F26 HydrophobicContact CD1-CD2 3.59Å; L12-F26 HydrophobicContact CD1-CE2 4.17Å; L12-F26 HydrophobicContact CD1-CG 4.4Å; L12-F26 HydrophobicContact CG-CD2 3.95Å; L12-I35 HydrophobicContact CD1-CD1 3.87Å; L12-I35 HydrophobicContact CD1-CG2 4.42Å; L12-L73 HydrophobicContact CD1-CD1 3.76Å; L12-L73 HydrophobicContact CD1-CD2 3.83Å; L12-L73 HydrophobicContact CD1-CG 4.42Å; L12-L73 HydrophobicContact CD2-CD1 4.49Å; L12-L73 HydrophobicContact CD2-CD2 4.33Å; L12-L73 HydrophobicContact CG-CD1 4.22Å; L12-L78 HydrophobicContact CD2-CD1 4.41Å; L12-T84 WeakPolarHBondContact CA-O 3.36Å; L12-T84 HydrophobicContact CD2-CG2 4.22Å; L12-M86 HydrophobicContact CD1-SD 4.25Å; L12-M86 HydrophobicContact CD2-CE 4.03Å; L12-M86 HydrophobicContact CD2-SD 4.19Å
13R93.3Very high80.6Confident95 Ų9559.2 Ų59.236%0.35837%0.366SS..EExtended strand (participates in β ladder)trans-92.7105.9167.1-174.3176-65.4-171.8-4.7108.9K22 E23 T83 T84 V85 M86R13-K22 CarbonylContact C-O 3.56Å; R13-K22 WeakPolarHBondContact CA-O 3.28Å; R13-E23 HydrophobicContact CB-CG 4.06Å; R13-E23 HydrophobicContact CG-CG 4Å; R13-E23 IonicContact CZ-OE1 2.73Å; R13-E23 IonicContact NE-OE1 3.69Å; R13-E23 PolarHBondContact NE-OE1 2.9Å; R13-E23 VanDerWaalsContact NE-OE1 3.09Å; R13-E23 IonicContact NH2-OE1 3.09Å; R13-E23 PolarHBondContact NH2-OE1 3.41Å; R13-E23 IonicContact NH2-OE2 3.33Å; R13-T83 HydrophobicContact CB-CG2 3.79Å; R13-T84 PolarHBondContact N-O 3.07Å; R13-V85 HydrophobicContact CB-CG2 4.27Å; R13-V85 WeakPolarHBondContact O-CA 3.2Å; R13-M86 PolarHBondContact O-N 3.19Å
14L92.8Very high82.8Confident0 Ų057.1 Ų57.10%034%0.338CS..EExtended strand (participates in β ladder)trans-87.5133.3176.9-60.2-176.9000110.2L12 T21 K22 F24 I35 V39 W47 M86L12-L14 HydrophobicContact CB-CD2 4.46Å; L14-T21 CarbonylContact O-C 3.58Å; L14-T21 WeakPolarHBondContact O-CA 3.22Å; L14-K22 PolarHBondContact N-O 3.3Å; L14-K22 PolarHBondContact O-N 2.96Å; L14-F24 HydrophobicContact CD1-CD2 3.77Å; L14-F24 HydrophobicContact CD1-CE2 3.96Å; L14-F24 HydrophobicContact CG-CD2 4.12Å; L14-I35 HydrophobicContact CD1-CG2 4.47Å; L14-V39 HydrophobicContact CD1-CB 4.4Å; L14-V39 HydrophobicContact CD1-CG1 4.29Å; L14-V39 HydrophobicContact CD1-CG2 3.31Å; L14-W47 HydrophobicContact CB-CH2 4.13Å; L14-M86 CarbonylContact C-O 3.22Å; L14-M86 VanDerWaalsContact CA-O 3.3Å; L14-M86 WeakPolarHBondContact CA-O 3.38Å; L14-M86 HydrophobicContact CD2-CB 3.93Å
15I92.2Very high84.8Confident33 Ų3357.5 Ų57.517%0.16933%0.332CS..EExtended strand (participates in β ladder)trans-115123.1178.6-52.5-169.9000108.8K20 T21 V85 M86 H87 L88I15-K20 WeakPolarHBondContact CA-O 3.49Å; I15-T21 HydrophobicContact CB-CG2 4.2Å; I15-T21 HydrophobicContact CD1-CG2 4.14Å; I15-T21 HydrophobicContact CG1-CG2 3.69Å; I15-T21 HydrophobicContact CG2-CG2 4.07Å; I15-V85 HydrophobicContact CD1-CG1 3.34Å; I15-V85 HydrophobicContact CG1-CG1 3.85Å; I15-M86 PolarHBondContact N-O 2.97Å; I15-H87 CarbonylContact O-C 3.54Å; I15-H87 VanDerWaalsContact O-CA 3.28Å; I15-H87 WeakPolarHBondContact O-CA 3.22Å; I15-L88 PolarHBondContact O-N 2.73Å
16L89.4Confident86.6Confident8 Ų853.6 Ų53.64%0.04231%0.307CS..EExtended strand (participates in β ladder)trans-78.1162.8171.9-9866.3000111.5S18 G19 K20 W43 W47 E50 L88L16-S18 PolarHBondContact O-N 3.09Å; L16-G19 WeakPolarHBondContact O-CA 3.48Å; L16-G19 PolarHBondContact O-N 2.81Å; L16-K20 HydrophobicContact CB-CB 4.45Å; L16-K20 PolarHBondContact N-O 2.83Å; L16-W43 HydrophobicContact CD2-CZ2 4.27Å; L16-W47 HydrophobicContact CD1-CD2 3.5Å; L16-W47 VanDerWaalsContact CD1-CD2 3.5Å; L16-W47 HydrophobicContact CD1-CE3 3.41Å; L16-W47 VanDerWaalsContact CD1-CE3 3.41Å; L16-W47 HydrophobicContact CD1-CG 4.33Å; L16-W47 HydrophobicContact CD1-CH2 3.38Å; L16-W47 HydrophobicContact CD1-CZ2 3.46Å; L16-W47 VanDerWaalsContact CD1-CZ2 3.46Å; L16-W47 HydrophobicContact CD1-CZ3 3.38Å; L16-W47 HydrophobicContact CD2-CB 3.97Å; L16-W47 HydrophobicContact CD2-CD2 3.71Å; L16-W47 HydrophobicContact CD2-CE3 4.1Å; L16-W47 HydrophobicContact CD2-CG 3.65Å; L16-W47 HydrophobicContact CG-CD2 4.24Å; L16-W47 HydrophobicContact CG-CE3 4.4Å; L16-E50 HydrophobicContact CD2-CB 3.92Å; L16-E50 HydrophobicContact CD2-CG 4.32Å; L16-L88 HydrophobicContact CD1-CB 4.46Å; L16-L88 HydrophobicContact CD1-CD2 4.32Å
17V83.6Confident88Confident85 Ų8551.1 Ų51.152%0.51529%0.29SS..THydrogen-bonded Turntrans-58.5-30.5174.2-64.30000112.7G19 E50 V89V17-G19 PolarHBondContact O-N 2.92Å; V17-E50 WeakPolarHBondContact CG2-OE2 3.46Å; V17-V89 HydrophobicContact CG1-CB 4.13Å; V17-V89 HydrophobicContact CG1-CG1 3.64Å
18S82.1Confident89.2Confident73 Ų7349.3 Ų49.351%0.5127%0.273SS..THydrogen-bonded Turntrans-67.4-13.8172.6-1780000114.1L16 E50L16-S18 PolarHBondContact O-N 3.09Å; S18-E50 WeakPolarHBondContact CB-OE2 3.35Å
19G85.1Confident89.7Confident51 Ų5151.6 Ų51.653%0.52629%0.285SS..SBendtrans89.5-0.9-174.700000114.2L16 V17L16-G19 WeakPolarHBondContact O-CA 3.48Å; L16-G19 PolarHBondContact O-N 2.81Å; V17-G19 PolarHBondContact O-N 2.92Å
20K89.1Confident90Very high56 Ų5651.8 Ų51.824%0.24329%0.287CS..  trans-65.6139.3172-60.2-177.7-177.8170.60109.5I15 L16 D46 E49I15-K20 WeakPolarHBondContact CA-O 3.49Å; L16-K20 HydrophobicContact CB-CB 4.45Å; L16-K20 PolarHBondContact N-O 2.83Å; K20-D46 WeakPolarHBondContact CD-O 3.46Å; K20-D46 WeakPolarHBondContact CE-O 3.47Å; K20-D46 PolarHBondContact NZ-O 3.06Å; K20-E49 IonicContact NZ-OE2 3.25Å; K20-E49 PolarHBondContact NZ-OE2 2.89Å
21T91.9Very high90.1Very high72 Ų7252.5 Ų52.544%0.44229%0.291SS..EExtended strand (participates in β ladder)trans-126.4145.2-179.272.50000112L14 I15L14-T21 CarbonylContact O-C 3.58Å; L14-T21 WeakPolarHBondContact O-CA 3.22Å; I15-T21 HydrophobicContact CB-CG2 4.2Å; I15-T21 HydrophobicContact CD1-CG2 4.14Å; I15-T21 HydrophobicContact CG1-CG2 3.69Å; I15-T21 HydrophobicContact CG2-CG2 4.07Å
22K90.9Very high90.2Very high84 Ų8450.8 Ų50.837%0.36528%0.283SS..EExtended strand (participates in β ladder)trans-145.8141.2176.9-166.775.7167.9-168.20110.1R13 L14 F24 P44 W47R13-K22 CarbonylContact C-O 3.56Å; R13-K22 WeakPolarHBondContact CA-O 3.28Å; L14-K22 PolarHBondContact N-O 3.3Å; L14-K22 PolarHBondContact O-N 2.96Å; K22-F24 HydrophobicContact CB-CD2 4.41Å; K22-F24 HydrophobicContact CB-CE2 3.7Å; K22-F24 HydrophobicContact CB-CZ 4.23Å; K22-F24 HydrophobicContact CG-CD2 4.28Å; K22-F24 HydrophobicContact CG-CE1 4.44Å; K22-F24 HydrophobicContact CG-CE2 3.56Å; K22-F24 HydrophobicContact CG-CZ 3.65Å; K22-P44 HydrophobicContact CD-CB 4.43Å; K22-P44 HydrophobicContact CG-CG 4.46Å; K22-W47 HydrophobicContact CB-CH2 3.49Å; K22-W47 VanDerWaalsContact CB-CH2 3.49Å; K22-W47 HydrophobicContact CB-CZ2 3.17Å; K22-W47 HydrophobicContact CG-CH2 4.47Å; K22-W47 HydrophobicContact CG-CZ2 4.32Å
23E92.1Very high90.1Very high92 Ų9252.9 Ų52.943%0.4330%0.3SS..EExtended strand (participates in β ladder)trans-100.9135.2-179-64.2-178.3117.600110.2L12 R13L12-E23 CarbonylContact O-C 3.53Å; L12-E23 WeakPolarHBondContact O-CA 3.23Å; R13-E23 HydrophobicContact CB-CG 4.06Å; R13-E23 HydrophobicContact CG-CG 4Å; R13-E23 IonicContact CZ-OE1 2.73Å; R13-E23 IonicContact NE-OE1 3.69Å; R13-E23 PolarHBondContact NE-OE1 2.9Å; R13-E23 VanDerWaalsContact NE-OE1 3.09Å; R13-E23 IonicContact NH2-OE1 3.09Å; R13-E23 PolarHBondContact NH2-OE1 3.41Å; R13-E23 IonicContact NH2-OE2 3.33Å
24F91.2Very high90Very high26 Ų2652.3 Ų52.311%0.11431%0.305CS..EExtended strand (participates in β ladder)trans-135.1150.9179.9-65.6-85.7000109.6N11 L12 L14 K22 F26 V39 W47N11-F24 CarbonylContact C-O 3.57Å; N11-F24 PolarHBondContact OD1-O 3.12Å; L12-F24 PolarHBondContact N-O 2.85Å; L12-F24 PolarHBondContact O-N 3.07Å; L14-F24 HydrophobicContact CD1-CD2 3.77Å; L14-F24 HydrophobicContact CD1-CE2 3.96Å; L14-F24 HydrophobicContact CG-CD2 4.12Å; K22-F24 HydrophobicContact CB-CD2 4.41Å; K22-F24 HydrophobicContact CB-CE2 3.7Å; K22-F24 HydrophobicContact CB-CZ 4.23Å; K22-F24 HydrophobicContact CG-CD2 4.28Å; K22-F24 HydrophobicContact CG-CE1 4.44Å; K22-F24 HydrophobicContact CG-CE2 3.56Å; K22-F24 HydrophobicContact CG-CZ 3.65Å; F24-F26 HydrophobicContact CB-CD2 3.95Å; F24-F26 HydrophobicContact CB-CE2 3.29Å; F24-F26 HydrophobicContact CB-CZ 3.88Å; F24-F26 HydrophobicContact CG-CE2 4.1Å; F24-F26 HydrophobicContact CG-CZ 4.37Å; F24-V39 HydrophobicContact CD2-CG2 4.34Å; F24-V39 HydrophobicContact CE2-CG1 4.39Å; F24-V39 HydrophobicContact CE2-CG2 4.15Å; F24-V39 HydrophobicContact CZ-CG1 4.31Å; F24-V39 HydrophobicContact CZ-CG2 4.31Å; F24-W47 HydrophobicContact CE2-CH2 4.01Å; F24-W47 HydrophobicContact CE2-CZ3 4.31Å
25L90.7Very high90Very high102 Ų10252.3 Ų52.353%0.53431%0.305SS..EExtended strand (participates in β ladder)trans-106.7120.3177.6-79.8157.4000109.3M9 N11M9-L25 HydrophobicContact CB-CD2 3.99Å; M9-L25 HydrophobicContact CE-CB 3.92Å; M9-L25 HydrophobicContact SD-CB 4.41Å; N11-L25 HydrophobicContact CB-CD2 4.2Å
26F91Very high89.9Confident7 Ų751 Ų513%0.03130%0.298CS..EExtended strand (participates in β ladder)trans-125.1156.8179.3-68.2-73.2000111.4I10 L12 F24 D30 I35 H38 V39 L73I10-F26 PolarHBondContact N-O 2.84Å; I10-F26 PolarHBondContact O-N 2.76Å; L12-F26 HydrophobicContact CB-CD2 4.05Å; L12-F26 HydrophobicContact CB-CE2 4.43Å; L12-F26 HydrophobicContact CD1-CD2 3.59Å; L12-F26 HydrophobicContact CD1-CE2 4.17Å; L12-F26 HydrophobicContact CD1-CG 4.4Å; L12-F26 HydrophobicContact CG-CD2 3.95Å; F24-F26 HydrophobicContact CB-CD2 3.95Å; F24-F26 HydrophobicContact CB-CE2 3.29Å; F24-F26 HydrophobicContact CB-CZ 3.88Å; F24-F26 HydrophobicContact CG-CE2 4.1Å; F24-F26 HydrophobicContact CG-CZ 4.37Å; F26-D30 HydrophobicContact CB-CB 4.46Å; F26-D30 HydrophobicContact CD1-CB 4.5Å; F26-I35 HydrophobicContact CD1-CG1 3.86Å; F26-I35 HydrophobicContact CD2-CG1 4.2Å; F26-I35 HydrophobicContact CD2-CG2 4.28Å; F26-I35 HydrophobicContact CE1-CB 4.31Å; F26-I35 HydrophobicContact CE1-CG1 3.99Å; F26-I35 HydrophobicContact CE1-CG2 4.26Å; F26-I35 HydrophobicContact CE2-CB 4.45Å; F26-I35 HydrophobicContact CE2-CG1 4.27Å; F26-I35 HydrophobicContact CE2-CG2 3.64Å; F26-I35 HydrophobicContact CG-CG1 3.96Å; F26-I35 HydrophobicContact CZ-CB 4.2Å; F26-I35 HydrophobicContact CZ-CG1 4.2Å; F26-I35 HydrophobicContact CZ-CG2 3.66Å; F26-H38 HydrophobicContact CE1-CB 3.82Å; F26-H38 AromaticContact CE1-CD2 3.65Å; F26-H38 AromaticContact CE1-CG 3.73Å; F26-H38 HydrophobicContact CZ-CB 4.22Å; F26-H38 AromaticContact CZ-CD2 3.72Å; F26-V39 HydrophobicContact CZ-CG2 4.23Å; F26-L73 HydrophobicContact CB-CD1 3.67Å
27S90.1Very high90Very high46 Ų4656.2 Ų56.232%0.32232%0.32SS..  trans-84.6151.3172.4-57.60000110.2N29 D30S27-N29 PolarHBondContact O-N 2.87Å; S27-D30 WeakPolarHBondContact CA-OD2 3.37Å; S27-D30 VanDerWaalsContact CB-OD2 3.32Å; S27-D30 WeakPolarHBondContact CB-OD2 3.44Å; S27-D30 PolarHBondContact N-OD2 3.43Å; S27-D30 WeakPolarHBondContact O-CB 3.28Å; S27-D30 PolarHBondContact O-N 2.97Å
28P89.4Confident90.4Very high33 Ų3356.1 Ų56.121%0.21431%0.314CS..THydrogen-bonded Turntrans-59.6-20173.424-34.4000113.7D8 I10 D30 G74 L80D8-P28 VanDerWaalsContact O-CD 3.26Å; D8-P28 WeakPolarHBondContact O-CD 3.35Å; I10-P28 HydrophobicContact CD1-CB 3.97Å; P28-D30 VanDerWaalsContact C-N 3.34Å; P28-G74 WeakPolarHBondContact O-CA 3.46Å; P28-G74 PolarHBondContact O-N 2.8Å; P28-L80 HydrophobicContact CB-CD2 4.35Å; P28-L80 HydrophobicContact CG-CD2 4.22Å
29N89.9Confident90.8Very high137 Ų13752.6 Ų52.673%0.73329%0.29SS*.THydrogen-bonded Turntrans-79-15.9176.3-65-45.8000113.4S27S27-N29 PolarHBondContact O-N 2.87Å
30D91.9Very high91Very high47 Ų4753.1 Ų53.125%0.25128%0.276SS..  trans-71.1134-179.2-67.5-50.8000110.6F26 S27 P28 I35 T72 L73F26-D30 HydrophobicContact CB-CB 4.46Å; F26-D30 HydrophobicContact CD1-CB 4.5Å; S27-D30 WeakPolarHBondContact CA-OD2 3.37Å; S27-D30 VanDerWaalsContact CB-OD2 3.32Å; S27-D30 WeakPolarHBondContact CB-OD2 3.44Å; S27-D30 PolarHBondContact N-OD2 3.43Å; S27-D30 WeakPolarHBondContact O-CB 3.28Å; S27-D30 PolarHBondContact O-N 2.97Å; P28-D30 VanDerWaalsContact C-N 3.34Å; D30-I35 HydrophobicContact CB-CG1 4.23Å; D30-T72 WeakPolarHBondContact O-CA 3.4Å; D30-L73 PolarHBondContact O-N 2.75Å; D30-L73 VanDerWaalsContact O-N 3.14Å
31S93.1Very high91Very high15 Ų1555.5 Ų55.511%0.10529%0.292CS..BIsolated β-bridgetrans-86.1159.3177.1780000111.6A33 D34 I35 G69 V71S31-A33 PolarHBondContact O-N 3.47Å; S31-D34 WeakPolarHBondContact CB-OD2 3.21Å; S31-D34 PolarHBondContact N-OD2 3.1Å; S31-D34 PolarHBondContact O-N 2.98Å; S31-D34 VanDerWaalsContact OG-CG 3.24Å; S31-D34 PolarHBondContact OG-N 3.43Å; S31-D34 PolarHBondContact OG-OD2 3.47Å; S31-I35 WeakPolarHBondContact O-CG1 3.46Å; S31-I35 PolarHBondContact O-N 3.44Å; S31-G69 VanDerWaalsContact CB-O 3.27Å; S31-G69 WeakPolarHBondContact CB-O 3.41Å; S31-G69 PolarHBondContact OG-O 2.72Å; S31-V71 CarbonylContact C-O 3.6Å; S31-V71 WeakPolarHBondContact CA-O 3.38Å
32A91.4Very high90.9Very high4 Ų456.4 Ų56.43%0.03329%0.294CS..Hα-helixtrans-58.2-31.9176.500000112.2A36 L60 L67 H68 G69 V71A32-A36 VanDerWaalsContact O-CB 3.31Å; A32-A36 WeakPolarHBondContact O-CB 3.38Å; A32-A36 PolarHBondContact O-N 2.84Å; A32-L60 HydrophobicContact CB-CD1 4.4Å; A32-L60 HydrophobicContact CB-CD2 4.39Å; A32-L60 WeakPolarHBondContact O-CD1 3.25Å; A32-L67 HydrophobicContact CB-CB 4.15Å; A32-H68 WeakPolarHBondContact CB-O 3.31Å; A32-G69 PolarHBondContact N-O 2.78Å; A32-V71 PolarHBondContact N-O 3.21Å
33A90.6Very high90.7Very high45 Ų4554 Ų5437%0.37228%0.283SS..Hα-helixtrans-69-42.717400000112S31 I35 A36 K37 G69S31-A33 PolarHBondContact O-N 3.47Å; A33-I35 VanDerWaalsContact C-N 3.33Å; A33-A36 PolarHBondContact O-N 2.91Å; A33-K37 WeakPolarHBondContact O-CB 3.45Å; A33-K37 PolarHBondContact O-N 2.85Å; A33-G69 WeakPolarHBondContact CB-O 3.41Å; A33-G69 PolarHBondContact N-O 2.81Å
34D92.3Very high90.4Very high83 Ų8350.3 Ų50.344%0.44427%0.267SS..Hα-helixtrans-63.9-41.1176.8-64-50.6000111.1S31 K37 H38S31-D34 WeakPolarHBondContact CB-OD2 3.21Å; S31-D34 PolarHBondContact N-OD2 3.1Å; S31-D34 PolarHBondContact O-N 2.98Å; S31-D34 VanDerWaalsContact OG-CG 3.24Å; S31-D34 PolarHBondContact OG-N 3.43Å; S31-D34 PolarHBondContact OG-OD2 3.47Å; D34-K37 PolarHBondContact O-N 2.87Å; D34-H38 VanDerWaalsContact O-CB 3.31Å; D34-H38 WeakPolarHBondContact O-CB 3.27Å; D34-H38 PolarHBondContact O-N 2.86Å
35I91.9Very high90Very high0 Ų056.6 Ų56.60%030%0.298CS..Hα-helixtrans-62.4-49.8175.3-65.3160.6000110.5L12 L14 F26 D30 S31 A33 K37 H38 V39 L60 L73L12-I35 HydrophobicContact CD1-CD1 3.87Å; L12-I35 HydrophobicContact CD1-CG2 4.42Å; L14-I35 HydrophobicContact CD1-CG2 4.47Å; F26-I35 HydrophobicContact CD1-CG1 3.86Å; F26-I35 HydrophobicContact CD2-CG1 4.2Å; F26-I35 HydrophobicContact CD2-CG2 4.28Å; F26-I35 HydrophobicContact CE1-CB 4.31Å; F26-I35 HydrophobicContact CE1-CG1 3.99Å; F26-I35 HydrophobicContact CE1-CG2 4.26Å; F26-I35 HydrophobicContact CE2-CB 4.45Å; F26-I35 HydrophobicContact CE2-CG1 4.27Å; F26-I35 HydrophobicContact CE2-CG2 3.64Å; F26-I35 HydrophobicContact CG-CG1 3.96Å; F26-I35 HydrophobicContact CZ-CB 4.2Å; F26-I35 HydrophobicContact CZ-CG1 4.2Å; F26-I35 HydrophobicContact CZ-CG2 3.66Å; D30-I35 HydrophobicContact CB-CG1 4.23Å; S31-I35 WeakPolarHBondContact O-CG1 3.46Å; S31-I35 PolarHBondContact O-N 3.44Å; A33-I35 VanDerWaalsContact C-N 3.33Å; I35-K37 VanDerWaalsContact C-N 3.28Å; I35-K37 PolarHBondContact O-N 2.78Å; I35-H38 PolarHBondContact O-N 3.47Å; I35-V39 HydrophobicContact CG2-CG2 4.27Å; I35-V39 WeakPolarHBondContact O-CB 3.39Å; I35-V39 WeakPolarHBondContact O-CG2 3.39Å; I35-V39 PolarHBondContact O-N 2.92Å; I35-L60 HydrophobicContact CB-CD2 4.18Å; I35-L60 HydrophobicContact CD1-CD2 4.2Å; I35-L60 HydrophobicContact CG2-CD2 3.79Å; I35-L73 HydrophobicContact CD1-CD1 3.82Å; I35-L73 HydrophobicContact CD1-CD2 3.67Å; I35-L73 HydrophobicContact CD1-CG 3.7Å
36A90.9Very high89.7Confident4 Ų457.1 Ų57.13%0.03330%0.301CS..Hα-helixtrans-56.2-44.5177.600000111.7A32 A33 Y40 L58 L60A32-A36 VanDerWaalsContact O-CB 3.31Å; A32-A36 WeakPolarHBondContact O-CB 3.38Å; A32-A36 PolarHBondContact O-N 2.84Å; A33-A36 PolarHBondContact O-N 2.91Å; A36-Y40 WeakPolarHBondContact O-CB 3.3Å; A36-Y40 PolarHBondContact O-N 3.21Å; A36-L58 HydrophobicContact CB-CB 3.86Å; A36-L58 HydrophobicContact CB-CD1 4.32Å; A36-L58 WeakPolarHBondContact O-CD1 3.49Å; A36-L60 HydrophobicContact CB-CD1 4.02Å
37K90.9Very high89.4Confident118 Ų11857 Ų5751%0.51330%0.301SS..Hα-helixtrans-64.2-47.4175.9179.9171.5178.6166.40112A33 D34 I35 V39 Y40 D41 P55A33-K37 WeakPolarHBondContact O-CB 3.45Å; A33-K37 PolarHBondContact O-N 2.85Å; D34-K37 PolarHBondContact O-N 2.87Å; I35-K37 VanDerWaalsContact C-N 3.28Å; I35-K37 PolarHBondContact O-N 2.78Å; K37-V39 VanDerWaalsContact C-N 3.28Å; K37-V39 PolarHBondContact O-N 3.33Å; K37-Y40 WeakPolarHBondContact O-CA 3.49Å; K37-Y40 WeakPolarHBondContact O-CB 3.41Å; K37-Y40 PolarHBondContact O-N 3.35Å; K37-Y40 VanDerWaalsContact O-N 3.1Å; K37-D41 WeakPolarHBondContact CG-OD2 3.28Å; K37-D41 PolarHBondContact O-N 2.81Å; K37-P55 HydrophobicContact CB-CB 4.32Å
38H91.6Very high89Confident83 Ų8360.8 Ų60.838%0.38431%0.313SS..Hα-helixtrans-59-41.8179.4-175.189.9000112.1F26 D34 I35 D41 N42F26-H38 HydrophobicContact CE1-CB 3.82Å; F26-H38 AromaticContact CE1-CD2 3.65Å; F26-H38 AromaticContact CE1-CG 3.73Å; F26-H38 HydrophobicContact CZ-CB 4.22Å; F26-H38 AromaticContact CZ-CD2 3.72Å; D34-H38 VanDerWaalsContact O-CB 3.31Å; D34-H38 WeakPolarHBondContact O-CB 3.27Å; D34-H38 PolarHBondContact O-N 2.86Å; I35-H38 PolarHBondContact O-N 3.47Å; H38-D41 PolarHBondContact O-N 2.78Å; H38-N42 WeakPolarHBondContact O-CB 3.36Å; H38-N42 PolarHBondContact O-N 2.96Å; H38-N42 PolarHBondContact O-ND2 3.44Å
39V90.3Very high88.5Confident0 Ų067.3 Ų67.30%034%0.341CS..Hα-helixtrans-67.9-39.3177176.50000111L14 F24 F26 I35 K37 N42 W43 W47 L88L14-V39 HydrophobicContact CD1-CB 4.4Å; L14-V39 HydrophobicContact CD1-CG1 4.29Å; L14-V39 HydrophobicContact CD1-CG2 3.31Å; F24-V39 HydrophobicContact CD2-CG2 4.34Å; F24-V39 HydrophobicContact CE2-CG1 4.39Å; F24-V39 HydrophobicContact CE2-CG2 4.15Å; F24-V39 HydrophobicContact CZ-CG1 4.31Å; F24-V39 HydrophobicContact CZ-CG2 4.31Å; F26-V39 HydrophobicContact CZ-CG2 4.23Å; I35-V39 HydrophobicContact CG2-CG2 4.27Å; I35-V39 WeakPolarHBondContact O-CB 3.39Å; I35-V39 WeakPolarHBondContact O-CG2 3.39Å; I35-V39 PolarHBondContact O-N 2.92Å; K37-V39 VanDerWaalsContact C-N 3.28Å; K37-V39 PolarHBondContact O-N 3.33Å; V39-N42 CarbonylContact O-C 3.51Å; V39-N42 VanDerWaalsContact O-C 3.22Å; V39-N42 PolarHBondContact O-N 3.2Å; V39-W43 HydrophobicContact CG1-CE3 3.99Å; V39-W43 HydrophobicContact CG1-CZ3 3.97Å; V39-W43 VanDerWaalsContact O-CA 3.22Å; V39-W43 WeakPolarHBondContact O-CA 3.31Å; V39-W43 PolarHBondContact O-N 3.29Å; V39-W47 HydrophobicContact CG1-CE3 4.46Å; V39-W47 HydrophobicContact CG1-CZ3 3.7Å; V39-L88 HydrophobicContact CB-CD2 4.46Å; V39-L88 HydrophobicContact CG1-CD2 3.64Å
40Y89.2Confident87.8Confident61 Ų6163.6 Ų63.624%0.23932%0.319CS..Hα-helixtrans-60.6-44.8173.4-178.8-85.8000112.3A36 K37 V52 P55 L58A36-Y40 WeakPolarHBondContact O-CB 3.3Å; A36-Y40 PolarHBondContact O-N 3.21Å; K37-Y40 WeakPolarHBondContact O-CA 3.49Å; K37-Y40 WeakPolarHBondContact O-CB 3.41Å; K37-Y40 PolarHBondContact O-N 3.35Å; K37-Y40 VanDerWaalsContact O-N 3.1Å; Y40-V52 HydrophobicContact CD2-CG2 3.72Å; Y40-V52 HydrophobicContact CE2-CG2 3.83Å; Y40-V52 VanDerWaalsContact CE2-O 3.28Å; Y40-V52 WeakPolarHBondContact CE2-O 3.41Å; Y40-P55 HydrophobicContact CD1-CB 4.41Å; Y40-P55 HydrophobicContact CD1-CG 4.41Å; Y40-P55 HydrophobicContact CD2-CB 4.23Å; Y40-P55 HydrophobicContact CG-CB 3.92Å; Y40-P55 HydrophobicContact CG-CG 4.36Å; Y40-L58 HydrophobicContact CD2-CD1 4.49Å
41D90Very high87.1Confident107 Ų10766.9 Ų66.957%0.57233%0.333SS*.Hα-helixtrans-70.3-34.3178.1-73.6-54.8000112.1K37 H38K37-D41 WeakPolarHBondContact CG-OD2 3.28Å; K37-D41 PolarHBondContact O-N 2.81Å; H38-D41 PolarHBondContact O-N 2.78Å
42N89.6Confident86.4Confident90 Ų9066.9 Ų66.948%0.48133%0.333SS..THydrogen-bonded Turntrans-104.338.2178-63.7-90000111.7H38 V39 P44H38-N42 WeakPolarHBondContact O-CB 3.36Å; H38-N42 PolarHBondContact O-N 2.96Å; H38-N42 PolarHBondContact O-ND2 3.44Å; V39-N42 CarbonylContact O-C 3.51Å; V39-N42 VanDerWaalsContact O-C 3.22Å; V39-N42 PolarHBondContact O-N 3.2Å; N42-P44 WeakPolarHBondContact O-CD 3.44Å; N42-P44 VanDerWaalsContact O-N 3.13Å
43W86.7Confident85.8Confident35 Ų3570.8 Ų70.813%0.13336%0.36CS..  trans-61118.1-175.3-160.4-100.8000109.5L16 V39 W47 E50 L58 L88L16-W43 HydrophobicContact CD2-CZ2 4.27Å; V39-W43 HydrophobicContact CG1-CE3 3.99Å; V39-W43 HydrophobicContact CG1-CZ3 3.97Å; V39-W43 VanDerWaalsContact O-CA 3.22Å; V39-W43 WeakPolarHBondContact O-CA 3.31Å; V39-W43 PolarHBondContact O-N 3.29Å; W43-W47 HydrophobicContact CD2-CB 4.49Å; W43-W47 HydrophobicContact CD2-CE3 4.31Å; W43-W47 HydrophobicContact CE3-CE3 4.35Å; W43-W47 HydrophobicContact CH2-CE3 4.24Å; W43-W47 HydrophobicContact CZ2-CB 4.02Å; W43-W47 HydrophobicContact CZ2-CE3 4.17Å; W43-W47 HydrophobicContact CZ3-CE3 4.33Å; W43-W47 VanDerWaalsContact NE1-CB 3.33Å; W43-W47 PolarHBondContact NE1-O 3.26Å; W43-E50 HydrophobicContact CZ2-CB 4.44Å; W43-E50 VanDerWaalsContact CZ2-O 3.25Å; W43-E50 WeakPolarHBondContact CZ2-O 3.17Å; W43-L58 HydrophobicContact CH2-CD2 4.32Å; W43-L58 HydrophobicContact CZ3-CD1 4.14Å; W43-L58 HydrophobicContact CZ3-CD2 4.34Å; W43-L88 HydrophobicContact CH2-CD2 4.28Å; W43-L88 HydrophobicContact CZ3-CD2 4.04Å
44P85.4Confident85.4Confident14 Ų1471 Ų719%0.09136%0.359CS..  trans-69.1145.3-176.527.5-33000110K22 N42 D46 W47K22-P44 HydrophobicContact CD-CB 4.43Å; K22-P44 HydrophobicContact CG-CG 4.46Å; N42-P44 WeakPolarHBondContact O-CD 3.44Å; N42-P44 VanDerWaalsContact O-N 3.13Å; P44-D46 PolarHBondContact O-N 2.91Å; P44-W47 VanDerWaalsContact CD-CE3 3.41Å; P44-W47 HydrophobicContact CG-CB 3.97Å; P44-W47 HydrophobicContact CG-CD2 3.22Å; P44-W47 HydrophobicContact CG-CE3 3.4Å; P44-W47 VanDerWaalsContact CG-CE3 3.4Å; P44-W47 HydrophobicContact CG-CG 3.49Å; P44-W47 VanDerWaalsContact CG-CG 3.49Å; P44-W47 HydrophobicContact CG-CH2 4.46Å; P44-W47 HydrophobicContact CG-CZ2 4.33Å; P44-W47 HydrophobicContact CG-CZ3 4.02Å; P44-W47 WeakPolarHBondContact O-CA 3.48Å; P44-W47 WeakPolarHBondContact O-CB 3.42Å; P44-W47 PolarHBondContact O-N 2.8Å
45M83.8Confident84.9Confident158 Ų15868.6 Ų68.678%0.77835%0.347SS*.G310 helixtrans-57.9-33.8179.9-60.2-177.674.500112.2W47 E48M45-W47 PolarHBondContact O-N 3.37Å; M45-E48 VanDerWaalsContact O-CB 3.28Å; M45-E48 WeakPolarHBondContact O-CB 3.33Å; M45-E48 PolarHBondContact O-N 3.33Å
46D83.3Confident84.4Confident112 Ų11274.7 Ų74.760%0.59938%0.38SS*.G310 helixtrans-59.5-18.8173.6-64.2-80.5000113.5K20 P44K20-D46 WeakPolarHBondContact CD-O 3.46Å; K20-D46 WeakPolarHBondContact CE-O 3.47Å; K20-D46 PolarHBondContact NZ-O 3.06Å; P44-D46 PolarHBondContact O-N 2.91Å
47W85Confident84Confident4 Ų476.1 Ų76.12%0.01539%0.387CS..G310 helixtrans-105.94179.4-59.9-1.5000112.8L14 L16 K22 F24 V39 W43 P44 M45 E49 E50 Q51 L88L14-W47 HydrophobicContact CB-CH2 4.13Å; L16-W47 HydrophobicContact CD1-CD2 3.5Å; L16-W47 VanDerWaalsContact CD1-CD2 3.5Å; L16-W47 HydrophobicContact CD1-CE3 3.41Å; L16-W47 VanDerWaalsContact CD1-CE3 3.41Å; L16-W47 HydrophobicContact CD1-CG 4.33Å; L16-W47 HydrophobicContact CD1-CH2 3.38Å; L16-W47 HydrophobicContact CD1-CZ2 3.46Å; L16-W47 VanDerWaalsContact CD1-CZ2 3.46Å; L16-W47 HydrophobicContact CD1-CZ3 3.38Å; L16-W47 HydrophobicContact CD2-CB 3.97Å; L16-W47 HydrophobicContact CD2-CD2 3.71Å; L16-W47 HydrophobicContact CD2-CE3 4.1Å; L16-W47 HydrophobicContact CD2-CG 3.65Å; L16-W47 HydrophobicContact CG-CD2 4.24Å; L16-W47 HydrophobicContact CG-CE3 4.4Å; K22-W47 HydrophobicContact CB-CH2 3.49Å; K22-W47 VanDerWaalsContact CB-CH2 3.49Å; K22-W47 HydrophobicContact CB-CZ2 3.17Å; K22-W47 HydrophobicContact CG-CH2 4.47Å; K22-W47 HydrophobicContact CG-CZ2 4.32Å; F24-W47 HydrophobicContact CE2-CH2 4.01Å; F24-W47 HydrophobicContact CE2-CZ3 4.31Å; V39-W47 HydrophobicContact CG1-CE3 4.46Å; V39-W47 HydrophobicContact CG1-CZ3 3.7Å; W43-W47 HydrophobicContact CD2-CB 4.49Å; W43-W47 HydrophobicContact CD2-CE3 4.31Å; W43-W47 HydrophobicContact CE3-CE3 4.35Å; W43-W47 HydrophobicContact CH2-CE3 4.24Å; W43-W47 HydrophobicContact CZ2-CB 4.02Å; W43-W47 HydrophobicContact CZ2-CE3 4.17Å; W43-W47 HydrophobicContact CZ3-CE3 4.33Å; W43-W47 VanDerWaalsContact NE1-CB 3.33Å; W43-W47 PolarHBondContact NE1-O 3.26Å; P44-W47 VanDerWaalsContact CD-CE3 3.41Å; P44-W47 HydrophobicContact CG-CB 3.97Å; P44-W47 HydrophobicContact CG-CD2 3.22Å; P44-W47 HydrophobicContact CG-CE3 3.4Å; P44-W47 VanDerWaalsContact CG-CE3 3.4Å; P44-W47 HydrophobicContact CG-CG 3.49Å; P44-W47 VanDerWaalsContact CG-CG 3.49Å; P44-W47 HydrophobicContact CG-CH2 4.46Å; P44-W47 HydrophobicContact CG-CZ2 4.33Å; P44-W47 HydrophobicContact CG-CZ3 4.02Å; P44-W47 WeakPolarHBondContact O-CA 3.48Å; P44-W47 WeakPolarHBondContact O-CB 3.42Å; P44-W47 PolarHBondContact O-N 2.8Å; M45-W47 PolarHBondContact O-N 3.37Å; W47-E49 PolarHBondContact O-N 2.77Å; W47-E49 VanDerWaalsContact O-N 3.12Å; W47-E50 CarbonylContact O-C 3.53Å; W47-E50 WeakPolarHBondContact O-CA 3.34Å; W47-E50 PolarHBondContact O-N 3.49Å; W47-Q51 PolarHBondContact O-N 3.26Å; W47-L88 HydrophobicContact CZ3-CD2 4.26Å
48E80.9Confident83.9Confident126 Ų12670.8 Ų70.859%0.58936%0.364SS*.G310 helixtrans-51.1-39.6-174.8-173.417899.900113M45 E50 Q51M45-E48 VanDerWaalsContact O-CB 3.28Å; M45-E48 WeakPolarHBondContact O-CB 3.33Å; M45-E48 PolarHBondContact O-N 3.33Å; E48-E50 PolarHBondContact O-N 3.16Å; E48-Q51 VanDerWaalsContact O-CB 3.23Å; E48-Q51 WeakPolarHBondContact O-CB 3.39Å; E48-Q51 PolarHBondContact O-N 3.26Å
49E79.3Confident83.7Confident171 Ų17170.7 Ų70.780%0.79936%0.36SS*.G310 helixtrans-61.4-24.9177.1-59.8176.910400114.2K20 W47K20-E49 IonicContact NZ-OE2 3.25Å; K20-E49 PolarHBondContact NZ-OE2 2.89Å; W47-E49 PolarHBondContact O-N 2.77Å; W47-E49 VanDerWaalsContact O-N 3.12Å
50E74.9Confident83.6Confident59 Ų5970.9 Ų70.928%0.27636%0.361SS..G310 helixtrans-106.115.3179.4-65.9-119.690.200111.8L16 V17 S18 W43 W47 E48 V52L16-E50 HydrophobicContact CD2-CB 3.92Å; L16-E50 HydrophobicContact CD2-CG 4.32Å; V17-E50 WeakPolarHBondContact CG2-OE2 3.46Å; S18-E50 WeakPolarHBondContact CB-OE2 3.35Å; W43-E50 HydrophobicContact CZ2-CB 4.44Å; W43-E50 VanDerWaalsContact CZ2-O 3.25Å; W43-E50 WeakPolarHBondContact CZ2-O 3.17Å; W47-E50 CarbonylContact O-C 3.53Å; W47-E50 WeakPolarHBondContact O-CA 3.34Å; W47-E50 PolarHBondContact O-N 3.49Å; E48-E50 PolarHBondContact O-N 3.16Å; E50-V52 PolarHBondContact O-N 3.4Å
51Q77.8Confident83.7Confident115 Ų11569.1 Ų69.154%0.53736%0.355SS..  trans-61.1128.4177.5-170176.62500110.1W47 E48W47-Q51 PolarHBondContact O-N 3.26Å; E48-Q51 VanDerWaalsContact O-CB 3.23Å; E48-Q51 WeakPolarHBondContact O-CB 3.39Å; E48-Q51 PolarHBondContact O-N 3.26Å
52V79.4Confident83.7Confident16 Ų1666.3 Ų66.310%0.09734%0.337CS..  trans-92.4162.4-178.4-65.10000111.8Y40 E50 S54 I57 L58 A90Y40-V52 HydrophobicContact CD2-CG2 3.72Å; Y40-V52 HydrophobicContact CE2-CG2 3.83Å; Y40-V52 VanDerWaalsContact CE2-O 3.28Å; Y40-V52 WeakPolarHBondContact CE2-O 3.41Å; E50-V52 PolarHBondContact O-N 3.4Å; V52-S54 VanDerWaalsContact C-N 3.31Å; V52-S54 WeakPolarHBondContact CG2-O 3.34Å; V52-S54 PolarHBondContact O-N 2.95Å; V52-I57 HydrophobicContact CB-CD1 3.7Å; V52-I57 HydrophobicContact CB-CG1 4.27Å; V52-I57 HydrophobicContact CG1-CD1 3.98Å; V52-I57 HydrophobicContact CG2-CD1 4.41Å; V52-I57 HydrophobicContact CG2-CG1 4.46Å; V52-L58 HydrophobicContact CG1-CD2 4.12Å; V52-L58 HydrophobicContact CG2-CD1 4.25Å; V52-L58 HydrophobicContact CG2-CD2 3.85Å; V52-L58 HydrophobicContact CG2-CG 3.98Å; V52-A90 HydrophobicContact CG1-CB 3.43Å; V52-A90 VanDerWaalsContact CG1-CB 3.43Å
53S78.8Confident83.5Confident86 Ų8669.4 Ų69.460%0.60135%0.349SS*.SBendtrans-75.1-18.2177.6-54.80000113.7
54S80.6Confident83.4Confident50 Ų5070.9 Ų70.935%0.3538%0.375SS..  trans-159144.7-175.1-76.90000113.6V52 N56 I57V52-S54 VanDerWaalsContact C-N 3.31Å; V52-S54 WeakPolarHBondContact CG2-O 3.34Å; V52-S54 PolarHBondContact O-N 2.95Å; S54-N56 VanDerWaalsContact C-N 3.25Å; S54-N56 PolarHBondContact O-N 2.94Å; S54-I57 WeakPolarHBondContact O-CG1 2.96Å; S54-I57 PolarHBondContact O-N 2.84Å
55P82.3Confident83.4Confident31 Ų3179.4 Ų79.420%0.20141%0.405CS..G310 helixtrans-68.2-25.2174.526.8-34.4000112.8K37 Y40 I57 L58K37-P55 HydrophobicContact CB-CB 4.32Å; Y40-P55 HydrophobicContact CD1-CB 4.41Å; Y40-P55 HydrophobicContact CD1-CG 4.41Å; Y40-P55 HydrophobicContact CD2-CB 4.23Å; Y40-P55 HydrophobicContact CG-CB 3.92Å; Y40-P55 HydrophobicContact CG-CG 4.36Å; P55-I57 PolarHBondContact O-N 3.46Å; P55-L58 WeakPolarHBondContact O-CB 3.32Å; P55-L58 PolarHBondContact O-N 2.99Å
56N80.8Confident83.6Confident129 Ų12977.8 Ų77.869%0.6939%0.394SS*.G310 helixtrans-66.2-23.9-177.9-73.4-38.9000114.1S54 L58 R59S54-N56 VanDerWaalsContact C-N 3.25Å; S54-N56 PolarHBondContact O-N 2.94Å; N56-L58 VanDerWaalsContact C-N 3.34Å; N56-R59 PolarHBondContact O-NH1 3.45Å
57I83.8Confident83.9Confident34 Ų3473.2 Ų73.217%0.17437%0.37CS..G310 helixtrans-85-11.7176.357.6156000112.1V52 S54 P55 A90 R91 E92V52-I57 HydrophobicContact CB-CD1 3.7Å; V52-I57 HydrophobicContact CB-CG1 4.27Å; V52-I57 HydrophobicContact CG1-CD1 3.98Å; V52-I57 HydrophobicContact CG2-CD1 4.41Å; V52-I57 HydrophobicContact CG2-CG1 4.46Å; S54-I57 WeakPolarHBondContact O-CG1 2.96Å; S54-I57 PolarHBondContact O-N 2.84Å; P55-I57 PolarHBondContact O-N 3.46Å; I57-A90 HydrophobicContact CD1-CB 4.42Å; I57-R91 HydrophobicContact CB-CB 4.04Å; I57-R91 HydrophobicContact CG2-CB 4.49Å; I57-R91 WeakPolarHBondContact O-CB 3.11Å; I57-R91 PolarHBondContact O-N 3.27Å; I57-E92 HydrophobicContact CD1-CB 4.12Å; I57-E92 HydrophobicContact CD1-CG 3.92Å; I57-E92 WeakPolarHBondContact CD1-OE2 3.35Å
58L87.6Confident83.9Confident6 Ų678.8 Ų78.83%0.03140%0.396CS..EExtended strand (participates in β ladder)trans-70.6137.8173-63.9172.8000109.9A36 Y40 W43 V52 P55 N56 L88 V89A36-L58 HydrophobicContact CB-CB 3.86Å; A36-L58 HydrophobicContact CB-CD1 4.32Å; A36-L58 WeakPolarHBondContact O-CD1 3.49Å; Y40-L58 HydrophobicContact CD2-CD1 4.49Å; W43-L58 HydrophobicContact CH2-CD2 4.32Å; W43-L58 HydrophobicContact CZ3-CD1 4.14Å; W43-L58 HydrophobicContact CZ3-CD2 4.34Å; V52-L58 HydrophobicContact CG1-CD2 4.12Å; V52-L58 HydrophobicContact CG2-CD1 4.25Å; V52-L58 HydrophobicContact CG2-CD2 3.85Å; V52-L58 HydrophobicContact CG2-CG 3.98Å; P55-L58 WeakPolarHBondContact O-CB 3.32Å; P55-L58 PolarHBondContact O-N 2.99Å; N56-L58 VanDerWaalsContact C-N 3.34Å; L58-L88 HydrophobicContact CB-CD1 4.06Å; L58-L88 HydrophobicContact CD2-CD1 4.33Å; L58-L88 HydrophobicContact CD2-CD2 4.36Å; L58-L88 HydrophobicContact CD2-CG 4.17Å; L58-V89 CarbonylContact C-O 3.59Å; L58-V89 WeakPolarHBondContact CA-O 3.41Å
59R87.3Confident84.2Confident81 Ų8173.6 Ų73.631%0.30638%0.376SS..EExtended strand (participates in β ladder)trans-131.4130.2176.9-69.9-69.6179.6-94.21.8108.8N56 F66 V89N56-R59 PolarHBondContact O-NH1 3.45Å; R59-F66 HydrophobicContact CB-CD1 4.15Å; R59-V89 HydrophobicContact CB-CG2 3.96Å; R59-V89 PolarHBondContact N-O 3.38Å; R59-V89 PolarHBondContact O-N 3.42Å
60L90.1Very high84.6Confident3 Ų371.8 Ų71.82%0.01637%0.371CS..EExtended strand (participates in β ladder)trans-87.5137.8173.2-77.274.6000109A32 I35 A36 F66 L67 M86 H87 L88A32-L60 HydrophobicContact CB-CD1 4.4Å; A32-L60 HydrophobicContact CB-CD2 4.39Å; A32-L60 WeakPolarHBondContact O-CD1 3.25Å; I35-L60 HydrophobicContact CB-CD2 4.18Å; I35-L60 HydrophobicContact CD1-CD2 4.2Å; I35-L60 HydrophobicContact CG2-CD2 3.79Å; A36-L60 HydrophobicContact CB-CD1 4.02Å; L60-F66 WeakPolarHBondContact O-CA 3.41Å; L60-L67 HydrophobicContact CB-CB 4.17Å; L60-L67 HydrophobicContact CB-CD1 4.05Å; L60-L67 HydrophobicContact CB-CG 4.46Å; L60-L67 PolarHBondContact O-N 3.3Å; L60-M86 HydrophobicContact CD2-SD 4.03Å; L60-H87 CarbonylContact C-O 3.51Å; L60-H87 WeakPolarHBondContact CA-O 3.27Å; L60-L88 HydrophobicContact CD1-CD1 3.91Å; L60-L88 HydrophobicContact CG-CD1 4.29Å
61I89.9Confident85.4Confident25 Ų2571.1 Ų71.113%0.12837%0.372CS..EExtended strand (participates in β ladder)trans-119.7124.5174.3-53171000108.2R65 F66 M86 H87 V89I61-R65 CarbonylContact C-O 3.53Å; I61-R65 VanDerWaalsContact CA-O 3.31Å; I61-R65 WeakPolarHBondContact CA-O 3.31Å; I61-F66 HydrophobicContact CD1-CD1 4.03Å; I61-F66 HydrophobicContact CD1-CE1 3.46Å; I61-F66 VanDerWaalsContact CD1-CE1 3.46Å; I61-F66 HydrophobicContact CD1-CZ 3.78Å; I61-F66 HydrophobicContact CG1-CD1 3.59Å; I61-F66 HydrophobicContact CG1-CE1 3.58Å; I61-F66 HydrophobicContact CG1-CG 4.24Å; I61-F66 HydrophobicContact CG1-CZ 4.21Å; I61-M86 WeakPolarHBondContact O-CA 3.33Å; I61-H87 HydrophobicContact CB-CB 4.13Å; I61-H87 PolarHBondContact N-O 3.09Å; I61-H87 PolarHBondContact O-N 3.14Å; I61-V89 HydrophobicContact CD1-CB 4.48Å; I61-V89 HydrophobicContact CD1-CG1 3.72Å; I61-V89 HydrophobicContact CD1-CG2 3.84Å; I61-V89 HydrophobicContact CG1-CG2 4.28Å
62Y90.6Very high86.1Confident47 Ų4768 Ų6818%0.18436%0.36CS..EExtended strand (participates in β ladder)trans-122.9124.2176179.2-116.9000109.6G64 R65 L76 L78 T84 M86Y62-G64 PolarHBondContact O-N 3.18Å; Y62-R65 PolarHBondContact N-O 2.77Å; Y62-R65 WeakPolarHBondContact O-CB 3.32Å; Y62-R65 PolarHBondContact O-N 2.86Å; Y62-L76 HydrophobicContact CD1-CD1 4.3Å; Y62-L78 HydrophobicContact CE1-CD2 4.02Å; Y62-L78 HydrophobicContact CE2-CD2 4.12Å; Y62-L78 WeakPolarHBondContact OH-CD2 3.49Å; Y62-T84 HydrophobicContact CD2-CG2 4.03Å; Y62-T84 HydrophobicContact CE2-CG2 3.47Å; Y62-T84 VanDerWaalsContact CE2-CG2 3.47Å; Y62-M86 HydrophobicContact CD2-CE 3.84Å; Y62-M86 HydrophobicContact CD2-CG 3.89Å; Y62-M86 HydrophobicContact CE2-CE 4.46Å; Y62-M86 HydrophobicContact CG-CE 3.98Å; Y62-M86 HydrophobicContact CG-CG 4.46Å
63Q85.5Confident86.6Confident155 Ų15567.4 Ų67.472%0.72436%0.356SS*.THydrogen-bonded Turntrans50.939.4-177.8-56.4-176.1-76.300114R65Q63-R65 VanDerWaalsContact C-N 3.27Å; Q63-R65 PolarHBondContact O-N 2.95Å
64G84.1Confident87Confident67 Ų6765.1 Ų65.169%0.69135%0.346SS*.THydrogen-bonded Turntrans75.610.3-17800000114.8Y62Y62-G64 PolarHBondContact O-N 3.18Å
65R85.8Confident87.4Confident192 Ų19266 Ų6673%0.72536%0.357SS*.EExtended strand (participates in β ladder)trans-114.1129.5177.2-58.6-178.7178.9-132.1-1.1110.5I61 Y62 Q63 L67I61-R65 CarbonylContact C-O 3.53Å; I61-R65 VanDerWaalsContact CA-O 3.31Å; I61-R65 WeakPolarHBondContact CA-O 3.31Å; Y62-R65 PolarHBondContact N-O 2.77Å; Y62-R65 WeakPolarHBondContact O-CB 3.32Å; Y62-R65 PolarHBondContact O-N 2.86Å; Q63-R65 VanDerWaalsContact C-N 3.27Å; Q63-R65 PolarHBondContact O-N 2.95Å; R65-L67 PolarHBondContact O-N 3.15Å
66F88.1Confident87.5Confident124 Ų12466.7 Ų66.754%0.54436%0.359SS..EExtended strand (participates in β ladder)trans-68.8126.3172.2-66.6-90.3000109.9R59 L60 I61 V89R59-F66 HydrophobicContact CB-CD1 4.15Å; L60-F66 WeakPolarHBondContact O-CA 3.41Å; I61-F66 HydrophobicContact CD1-CD1 4.03Å; I61-F66 HydrophobicContact CD1-CE1 3.46Å; I61-F66 VanDerWaalsContact CD1-CE1 3.46Å; I61-F66 HydrophobicContact CD1-CZ 3.78Å; I61-F66 HydrophobicContact CG1-CD1 3.59Å; I61-F66 HydrophobicContact CG1-CE1 3.58Å; I61-F66 HydrophobicContact CG1-CG 4.24Å; I61-F66 HydrophobicContact CG1-CZ 4.21Å; F66-V89 HydrophobicContact CE1-CG2 4.03Å
67L89.9Confident87.7Confident17 Ų1769.7 Ų69.79%0.08937%0.366CS..PPolyproline II helixtrans-83.4134.7173-62179.4000109.5A32 L60 R65 V71 L76 M86A32-L67 HydrophobicContact CB-CB 4.15Å; L60-L67 HydrophobicContact CB-CB 4.17Å; L60-L67 HydrophobicContact CB-CD1 4.05Å; L60-L67 HydrophobicContact CB-CG 4.46Å; L60-L67 PolarHBondContact O-N 3.3Å; R65-L67 PolarHBondContact O-N 3.15Å; L67-V71 HydrophobicContact CD2-CG1 4.46Å; L67-L76 HydrophobicContact CD1-CD1 3.66Å; L67-L76 HydrophobicContact CD2-CD1 3.84Å; L67-L76 HydrophobicContact CD2-CD2 3.79Å; L67-L76 HydrophobicContact CD2-CG 4.42Å; L67-L76 HydrophobicContact CG-CD1 4.43Å; L67-M86 HydrophobicContact CD1-CE 4.11Å; L67-M86 HydrophobicContact CD1-SD 3.95Å
68H85.4Confident87.7Confident121 Ų12168.7 Ų68.756%0.5636%0.361SS*.PPolyproline II helixtrans-78.5147.1172.7-171.8-96.4000109.9A32 N70 V71A32-H68 WeakPolarHBondContact CB-O 3.31Å; H68-N70 PolarHBondContact ND1-N 2.91Å; H68-N70 PolarHBondContact O-N 3.36Å; H68-V71 HydrophobicContact CB-CG2 4.06Å; H68-V71 WeakPolarHBondContact O-CB 3.26Å; H68-V71 PolarHBondContact O-N 3.2Å
69G86.6Confident87.3Confident16 Ų1671.4 Ų71.417%0.16538%0.379CS..THydrogen-bonded Turntrans-52.4-33.9-176.900000114.2S31 A32 A33 V71S31-G69 VanDerWaalsContact CB-O 3.27Å; S31-G69 WeakPolarHBondContact CB-O 3.41Å; S31-G69 PolarHBondContact OG-O 2.72Å; A32-G69 PolarHBondContact N-O 2.78Å; A33-G69 WeakPolarHBondContact CB-O 3.41Å; A33-G69 PolarHBondContact N-O 2.81Å; G69-V71 VanDerWaalsContact C-N 3.32Å; G69-V71 PolarHBondContact O-N 2.99Å
70N88.1Confident87.1Confident133 Ų13371.5 Ų71.571%0.71139%0.385SS*.THydrogen-bonded Turntrans-80.5-5.6-179.5-58.418.4000114.3H68H68-N70 PolarHBondContact ND1-N 2.91Å; H68-N70 PolarHBondContact O-N 3.36Å
71V91.1Very high86.6Confident46 Ų4674.2 Ų74.228%0.27941%0.413SS..  trans-81127.8180175.40000109.1S31 A32 L67 H68 G69 A75 L76S31-V71 CarbonylContact C-O 3.6Å; S31-V71 WeakPolarHBondContact CA-O 3.38Å; A32-V71 PolarHBondContact N-O 3.21Å; L67-V71 HydrophobicContact CD2-CG1 4.46Å; H68-V71 HydrophobicContact CB-CG2 4.06Å; H68-V71 WeakPolarHBondContact O-CB 3.26Å; H68-V71 PolarHBondContact O-N 3.2Å; G69-V71 VanDerWaalsContact C-N 3.32Å; G69-V71 PolarHBondContact O-N 2.99Å; V71-A75 HydrophobicContact CG1-CB 4.43Å; V71-L76 HydrophobicContact CG1-CD2 4.05Å; V71-L76 HydrophobicContact CG1-CG 4.12Å
72T92.8Very high86.2Confident49 Ų4981.5 Ų81.530%0.30144%0.439SS..BIsolated β-bridgetrans-91.5155.3175.8610000112.1D30 G74 A75D30-T72 WeakPolarHBondContact O-CA 3.4Å; T72-G74 PolarHBondContact O-N 3.24Å; T72-A75 WeakPolarHBondContact O-CB 3.26Å; T72-A75 PolarHBondContact O-N 2.97Å; T72-A75 VanDerWaalsContact O-N 3.09Å; T72-A75 PolarHBondContact OG1-N 3.06Å
73L89.6Confident86.2Confident3 Ų382.5 Ų82.52%0.01645%0.45CS..THydrogen-bonded Turntrans-61.6-34.3177.2-63.3179.2000112.6I10 L12 F26 D30 I35 A75 L76 L78 M86I10-L73 HydrophobicContact CB-CD1 4.27Å; I10-L73 HydrophobicContact CD1-CB 3.61Å; I10-L73 HydrophobicContact CD1-CD1 4.05Å; I10-L73 HydrophobicContact CD1-CG 4.48Å; I10-L73 HydrophobicContact CG2-CD1 4.39Å; L12-L73 HydrophobicContact CD1-CD1 3.76Å; L12-L73 HydrophobicContact CD1-CD2 3.83Å; L12-L73 HydrophobicContact CD1-CG 4.42Å; L12-L73 HydrophobicContact CD2-CD1 4.49Å; L12-L73 HydrophobicContact CD2-CD2 4.33Å; L12-L73 HydrophobicContact CG-CD1 4.22Å; F26-L73 HydrophobicContact CB-CD1 3.67Å; D30-L73 PolarHBondContact O-N 2.75Å; D30-L73 VanDerWaalsContact O-N 3.14Å; I35-L73 HydrophobicContact CD1-CD1 3.82Å; I35-L73 HydrophobicContact CD1-CD2 3.67Å; I35-L73 HydrophobicContact CD1-CG 3.7Å; L73-A75 VanDerWaalsContact C-N 3.3Å; L73-A75 PolarHBondContact O-N 2.88Å; L73-L76 WeakPolarHBondContact O-CB 3.42Å; L73-L76 PolarHBondContact O-N 2.83Å; L73-L78 HydrophobicContact CB-CD1 4.23Å; L73-L78 HydrophobicContact CD2-CD1 3.91Å; L73-M86 HydrophobicContact CD2-CE 3.82Å; L73-M86 HydrophobicContact CD2-SD 4.43Å
74G86.9Confident86.5Confident38 Ų3875.7 Ų75.739%0.39242%0.419SS..G310 helixtrans-63.1-34.5174.300000112.8P28 T72 L76 K77P28-G74 WeakPolarHBondContact O-CA 3.46Å; P28-G74 PolarHBondContact O-N 2.8Å; T72-G74 PolarHBondContact O-N 3.24Å; G74-L76 PolarHBondContact O-N 2.7Å; G74-K77 PolarHBondContact O-N 2.84Å
75A88.6Confident86.8Confident68 Ų6875.6 Ų75.656%0.56241%0.405SS*.G310 helixtrans-66.1-26.1176.400000112.6V71 T72 L73 K77V71-A75 HydrophobicContact CG1-CB 4.43Å; T72-A75 WeakPolarHBondContact O-CB 3.26Å; T72-A75 PolarHBondContact O-N 2.97Å; T72-A75 VanDerWaalsContact O-N 3.09Å; T72-A75 PolarHBondContact OG1-N 3.06Å; L73-A75 VanDerWaalsContact C-N 3.3Å; L73-A75 PolarHBondContact O-N 2.88Å; A75-K77 PolarHBondContact O-N 3.31Å
76L85.6Confident87.1Confident47 Ų4766.5 Ų66.525%0.24637%0.371CS..G310 helixtrans-80.6-2.4175.7-60.8175.7000113.2Y62 L67 V71 L73 G74 L78 M86Y62-L76 HydrophobicContact CD1-CD1 4.3Å; L67-L76 HydrophobicContact CD1-CD1 3.66Å; L67-L76 HydrophobicContact CD2-CD1 3.84Å; L67-L76 HydrophobicContact CD2-CD2 3.79Å; L67-L76 HydrophobicContact CD2-CG 4.42Å; L67-L76 HydrophobicContact CG-CD1 4.43Å; V71-L76 HydrophobicContact CG1-CD2 4.05Å; V71-L76 HydrophobicContact CG1-CG 4.12Å; L73-L76 WeakPolarHBondContact O-CB 3.42Å; L73-L76 PolarHBondContact O-N 2.83Å; G74-L76 PolarHBondContact O-N 2.7Å; L76-L78 HydrophobicContact CB-CD1 4.39Å; L76-L78 HydrophobicContact CB-CD2 4.13Å; L76-L78 HydrophobicContact CB-CG 3.87Å; L76-L78 HydrophobicContact CD1-CD1 4.46Å; L76-L78 PolarHBondContact O-N 3.4Å; L76-M86 HydrophobicContact CD1-CE 3.89Å
77K83.7Confident87.3Confident192 Ų19264.6 Ų64.684%0.83536%0.364SS*.THydrogen-bonded Turntrans51.940.8-178.6-59-176.5177.7-1770112.5G74 A75G74-K77 PolarHBondContact O-N 2.84Å; A75-K77 PolarHBondContact O-N 3.31Å
78L84.1Confident87.3Confident13 Ų1364 Ų647%0.06836%0.361CS..PPolyproline II helixtrans-69139.3178.3-59.6176.7000110.3I10 L12 Y62 L73 L76 L80 T84 M86I10-L78 HydrophobicContact CD1-CB 4.21Å; I10-L78 HydrophobicContact CG2-CD1 4.25Å; L12-L78 HydrophobicContact CD2-CD1 4.41Å; Y62-L78 HydrophobicContact CE1-CD2 4.02Å; Y62-L78 HydrophobicContact CE2-CD2 4.12Å; Y62-L78 WeakPolarHBondContact OH-CD2 3.49Å; L73-L78 HydrophobicContact CB-CD1 4.23Å; L73-L78 HydrophobicContact CD2-CD1 3.91Å; L76-L78 HydrophobicContact CB-CD1 4.39Å; L76-L78 HydrophobicContact CB-CD2 4.13Å; L76-L78 HydrophobicContact CB-CG 3.87Å; L76-L78 HydrophobicContact CD1-CD1 4.46Å; L76-L78 PolarHBondContact O-N 3.4Å; L78-L80 PolarHBondContact O-N 3.26Å; L78-T84 HydrophobicContact CD1-CG2 4.03Å; L78-T84 HydrophobicContact CD2-CG2 3.85Å; L78-M86 HydrophobicContact CD1-CE 3.68Å
79P79.9Confident87.4Confident63 Ų6359.2 Ų59.241%0.40934%0.339SS..PPolyproline II helixtrans-66.9122.2175.624.5-30.3000110.8R82P79-R82 HydrophobicContact CB-CB 4.32Å; P79-R82 HydrophobicContact CB-CG 4.22Å; P79-R82 HydrophobicContact CG-CB 4Å; P79-R82 HydrophobicContact CG-CG 4.24Å; P79-R82 PolarHBondContact O-N 2.9Å
80L82.7Confident87.2Confident83 Ų8359 Ų5944%0.43534%0.336SS..THydrogen-bonded Turntrans-62.3143.7173.6-56175.1000110.1I10 P28 L78 R82I10-L80 HydrophobicContact CD1-CD2 4.04Å; I10-L80 HydrophobicContact CG1-CD2 3.64Å; P28-L80 HydrophobicContact CB-CD2 4.35Å; P28-L80 HydrophobicContact CG-CD2 4.22Å; L78-L80 PolarHBondContact O-N 3.26Å; L80-R82 PolarHBondContact O-N 3.17Å
81G78.8Confident86.2Confident60 Ų6060.2 Ų60.262%0.61933%0.331SS*.THydrogen-bonded Turntrans72.94-178.400000115.7M9M9-G81 PolarHBondContact O-N 3.44Å; M9-G81 VanDerWaalsContact O-N 3.16Å
82R83.3Confident84.9Confident178 Ų17864.2 Ų64.267%0.67235%0.347SS*.SBendtrans-106.4151.7169.2-70-164.1178-172.10.2111.7P79 L80 T84P79-R82 HydrophobicContact CB-CB 4.32Å; P79-R82 HydrophobicContact CB-CG 4.22Å; P79-R82 HydrophobicContact CG-CB 4Å; P79-R82 HydrophobicContact CG-CG 4.24Å; P79-R82 PolarHBondContact O-N 2.9Å; L80-R82 PolarHBondContact O-N 3.17Å; R82-T84 PolarHBondContact O-N 3.34Å
83T89.6Confident83Confident68 Ų6865.8 Ų65.842%0.41736%0.356SS..EExtended strand (participates in β ladder)trans-78.4118.7171.3-53.30000110N11 R13N11-T83 CarbonylContact O-C 3.51Å; N11-T83 VanDerWaalsContact O-CA 3.27Å; N11-T83 WeakPolarHBondContact O-CA 3.41Å; R13-T83 HydrophobicContact CB-CG2 3.79Å
84T91.1Very high80.9Confident11 Ų1169.3 Ų69.37%0.06738%0.375CS..EExtended strand (participates in β ladder)trans-103.2130173.5-61.40000109.3N11 L12 R13 Y62 L78 R82 M86N11-T84 PolarHBondContact O-N 2.81Å; L12-T84 WeakPolarHBondContact CA-O 3.36Å; L12-T84 HydrophobicContact CD2-CG2 4.22Å; R13-T84 PolarHBondContact N-O 3.07Å; Y62-T84 HydrophobicContact CD2-CG2 4.03Å; Y62-T84 HydrophobicContact CE2-CG2 3.47Å; Y62-T84 VanDerWaalsContact CE2-CG2 3.47Å; L78-T84 HydrophobicContact CD1-CG2 4.03Å; L78-T84 HydrophobicContact CD2-CG2 3.85Å; R82-T84 PolarHBondContact O-N 3.34Å; T84-M86 HydrophobicContact CG2-CE 4.01Å; T84-M86 HydrophobicContact CG2-CG 4.38Å
85V91.6Very high79.1Confident66 Ų6672.7 Ų72.740%0.439%0.39SS..EExtended strand (participates in β ladder)trans-91.7129.5178.7-179.40000109.9R13 I15R13-V85 HydrophobicContact CB-CG2 4.27Å; R13-V85 WeakPolarHBondContact O-CA 3.2Å; I15-V85 HydrophobicContact CD1-CG1 3.34Å; I15-V85 HydrophobicContact CG1-CG1 3.85Å
86M92.9Very high77.1Confident0 Ų078 Ų780%040%0.403CS..EExtended strand (participates in β ladder)trans-134.1151.8173.6-64-172177.900109.9L12 R13 L14 I15 L60 I61 Y62 L67 L73 L76 L78 T84L12-M86 HydrophobicContact CD1-SD 4.25Å; L12-M86 HydrophobicContact CD2-CE 4.03Å; L12-M86 HydrophobicContact CD2-SD 4.19Å; R13-M86 PolarHBondContact O-N 3.19Å; L14-M86 CarbonylContact C-O 3.22Å; L14-M86 VanDerWaalsContact CA-O 3.3Å; L14-M86 WeakPolarHBondContact CA-O 3.38Å; L14-M86 HydrophobicContact CD2-CB 3.93Å; I15-M86 PolarHBondContact N-O 2.97Å; L60-M86 HydrophobicContact CD2-SD 4.03Å; I61-M86 WeakPolarHBondContact O-CA 3.33Å; Y62-M86 HydrophobicContact CD2-CE 3.84Å; Y62-M86 HydrophobicContact CD2-CG 3.89Å; Y62-M86 HydrophobicContact CE2-CE 4.46Å; Y62-M86 HydrophobicContact CG-CE 3.98Å; Y62-M86 HydrophobicContact CG-CG 4.46Å; L67-M86 HydrophobicContact CD1-CE 4.11Å; L67-M86 HydrophobicContact CD1-SD 3.95Å; L73-M86 HydrophobicContact CD2-CE 3.82Å; L73-M86 HydrophobicContact CD2-SD 4.43Å; L76-M86 HydrophobicContact CD1-CE 3.89Å; L78-M86 HydrophobicContact CD1-CE 3.68Å; T84-M86 HydrophobicContact CG2-CE 4.01Å; T84-M86 HydrophobicContact CG2-CG 4.38Å
87H90.9Very high75.3Confident85 Ų8581.1 Ų81.139%0.39443%0.426SS..EExtended strand (participates in β ladder)trans-96.6140.4172-58.463.7000109.6I15 L60 I61I15-H87 CarbonylContact O-C 3.54Å; I15-H87 VanDerWaalsContact O-CA 3.28Å; I15-H87 WeakPolarHBondContact O-CA 3.22Å; L60-H87 CarbonylContact C-O 3.51Å; L60-H87 WeakPolarHBondContact CA-O 3.27Å; I61-H87 HydrophobicContact CB-CB 4.13Å; I61-H87 PolarHBondContact N-O 3.09Å; I61-H87 PolarHBondContact O-N 3.14Å
88L89.9Confident73.4Confident5 Ų577.5 Ų77.53%0.02642%0.416CS..EExtended strand (participates in β ladder)trans-110.7119.2173.5-174.571.1000107.7I15 L16 V39 W43 W47 L58 L60I15-L88 PolarHBondContact O-N 2.73Å; L16-L88 HydrophobicContact CD1-CB 4.46Å; L16-L88 HydrophobicContact CD1-CD2 4.32Å; V39-L88 HydrophobicContact CB-CD2 4.46Å; V39-L88 HydrophobicContact CG1-CD2 3.64Å; W43-L88 HydrophobicContact CH2-CD2 4.28Å; W43-L88 HydrophobicContact CZ3-CD2 4.04Å; W47-L88 HydrophobicContact CZ3-CD2 4.26Å; L58-L88 HydrophobicContact CB-CD1 4.06Å; L58-L88 HydrophobicContact CD2-CD1 4.33Å; L58-L88 HydrophobicContact CD2-CD2 4.36Å; L58-L88 HydrophobicContact CD2-CG 4.17Å; L60-L88 HydrophobicContact CD1-CD1 3.91Å; L60-L88 HydrophobicContact CG-CD1 4.29Å
89V87Confident71.7Confident19 Ų1982.4 Ų82.412%0.11545%0.451CS..EExtended strand (participates in β ladder)trans-126.1143.9-179.5-53.60000110.7V17 L58 R59 I61 F66V17-V89 HydrophobicContact CG1-CB 4.13Å; V17-V89 HydrophobicContact CG1-CG1 3.64Å; L58-V89 CarbonylContact C-O 3.59Å; L58-V89 WeakPolarHBondContact CA-O 3.41Å; R59-V89 HydrophobicContact CB-CG2 3.96Å; R59-V89 PolarHBondContact N-O 3.38Å; R59-V89 PolarHBondContact O-N 3.42Å; I61-V89 HydrophobicContact CD1-CB 4.48Å; I61-V89 HydrophobicContact CD1-CG1 3.72Å; I61-V89 HydrophobicContact CD1-CG2 3.84Å; I61-V89 HydrophobicContact CG1-CG2 4.28Å; F66-V89 HydrophobicContact CE1-CG2 4.03Å
90A83.9Confident70.6Confident12 Ų1287.1 Ų87.110%0.09947%0.467CS..EExtended strand (participates in β ladder)trans-86.9136.5172.400000110.1V52 I57 E92 T93V52-A90 HydrophobicContact CG1-CB 3.43Å; V52-A90 VanDerWaalsContact CG1-CB 3.43Å; I57-A90 HydrophobicContact CD1-CB 4.42Å; A90-E92 VanDerWaalsContact C-N 3.27Å; A90-E92 PolarHBondContact O-N 2.84Å; A90-T93 HydrophobicContact CB-CG2 4.28Å; A90-T93 PolarHBondContact O-N 3.32Å; A90-T93 PolarHBondContact O-OG1 3.24Å
91R67.1Low68.9Low159 Ų15986 Ų8660%0.648%0.476SS*.G310 helixtrans-71.1-23.3176.9-148.6-163.5-171.8-166.20.8112.8I57 T93 L94I57-R91 HydrophobicContact CB-CB 4.04Å; I57-R91 HydrophobicContact CG2-CB 4.49Å; I57-R91 WeakPolarHBondContact O-CB 3.11Å; I57-R91 PolarHBondContact O-N 3.27Å; R91-T93 PolarHBondContact O-N 3.44Å; R91-L94 HydrophobicContact CB-CD1 4.41Å; R91-L94 HydrophobicContact CG-CD1 3.64Å; R91-L94 WeakPolarHBondContact O-CB 3.41Å; R91-L94 PolarHBondContact O-N 2.57Å
92E63.5Low67.4Low130 Ų13092.8 Ų92.861%0.60749%0.492SS*.G310 helixtrans-64.7-28.9173.2-87.6-178.882.500112.3I57 A90 L94I57-E92 HydrophobicContact CD1-CB 4.12Å; I57-E92 HydrophobicContact CD1-CG 3.92Å; I57-E92 WeakPolarHBondContact CD1-OE2 3.35Å; A90-E92 VanDerWaalsContact C-N 3.27Å; A90-E92 PolarHBondContact O-N 2.84Å; E92-L94 VanDerWaalsContact C-N 3.34Å
93T52.5Low65.9Low81 Ų8195 Ų9550%0.49750%0.5SS..G310 helixtrans-90.82.6176.765.60000112.7A90 R91 P95A90-T93 HydrophobicContact CB-CG2 4.28Å; A90-T93 PolarHBondContact O-N 3.32Å; A90-T93 PolarHBondContact O-OG1 3.24Å; R91-T93 PolarHBondContact O-N 3.44Å; T93-P95 WeakPolarHBondContact O-CD 3.37Å
94L46.4Very low64.2Low78 Ų7898.3 Ų98.341%0.40852%0.515SS..SBendtrans-73.9122.5168.8-83.7166.4000107R91 E92 E96R91-L94 HydrophobicContact CB-CD1 4.41Å; R91-L94 HydrophobicContact CG-CD1 3.64Å; R91-L94 WeakPolarHBondContact O-CB 3.41Å; R91-L94 PolarHBondContact O-N 2.57Å; E92-L94 VanDerWaalsContact C-N 3.34Å; L94-E96 PolarHBondContact O-N 3.05Å
95P48.1Very low62.2Low109 Ų109107.8 Ų107.871%0.70855%0.55SS*.  trans-52.1135.5167.822.8-31.3000107.2T93T93-P95 WeakPolarHBondContact O-CD 3.37Å
96E46.8Very low60.2Low179 Ų179112 Ų11284%0.83657%0.565SS**  trans-42.4129.6175.7-65.9-177.682.900108.1L94 N98L94-E96 PolarHBondContact O-N 3.05Å; E96-N98 VanDerWaalsContact C-N 3.33Å; E96-N98 PolarHBondContact O-N 2.91Å
97P46.8Very low58.2Low113 Ų113122 Ų12273%0.73461%0.608SS**  trans-55.1110.6174.623.4-30.9000105S99P97-S99 VanDerWaalsContact C-N 3.3Å; P97-S99 PolarHBondContact O-N 3.36Å; P97-S99 PolarHBondContact O-OG 3.06Å
98N45.5Very low56.1Low115 Ų115124.9 Ų124.962%0.61563%0.632SS**  trans-42.799.6-174179.323.4000107.7E96 Q100E96-N98 VanDerWaalsContact C-N 3.33Å; E96-N98 PolarHBondContact O-N 2.91Å; N98-Q100 PolarHBondContact ND2-OE1 3.31Å; N98-Q100 PolarHBondContact O-N 2.92Å; N98-Q100 WeakPolarHBondContact OD1-CB 3.39Å; N98-Q100 VanDerWaalsContact OD1-CG 3.26Å; N98-Q100 WeakPolarHBondContact OD1-CG 3.5Å
99S47Very low54Low116 Ų116127.8 Ų127.881%0.81166%0.663SS**  trans-79.560.5173.6-67.20000105.4P97 G101P97-S99 VanDerWaalsContact C-N 3.3Å; P97-S99 PolarHBondContact O-N 3.36Å; P97-S99 PolarHBondContact O-OG 3.06Å; S99-G101 PolarHBondContact O-N 2.96Å
100Q56.3Low52.3Low162 Ų162135.7 Ų135.776%0.75770%0.699SS**  trans-71.688.9174.7-120.1178.4-4.700106.7N98N98-Q100 PolarHBondContact ND2-OE1 3.31Å; N98-Q100 PolarHBondContact O-N 2.92Å; N98-Q100 WeakPolarHBondContact OD1-CB 3.39Å; N98-Q100 VanDerWaalsContact OD1-CG 3.26Å; N98-Q100 WeakPolarHBondContact OD1-CG 3.5Å
101G48.4Very low50.7Low60 Ų60139.9 Ų139.962%0.61973%0.728SS**  trans68.675.4148.200000115.2S99 R103S99-G101 PolarHBondContact O-N 2.96Å; G101-R103 PolarHBondContact O-N 3.45Å
102Q47.1Very low49.9Very low202 Ų202139.4 Ų139.494%0.94474%0.737SS**  trans-73.472.1142.2-154.5173.3-18.100107.6N104Q102-N104 PolarHBondContact O-N 3.44Å
103R52.5Low49.3Very low226 Ų226137.1 Ų137.185%0.85374%0.735SS**  trans-73.891.9168-157179.5-167.4-178.74.8106.2G101 R105G101-R103 PolarHBondContact O-N 3.45Å; R103-R105 PolarHBondContact O-N 3.11Å; R103-R105 VanDerWaalsContact O-N 3.11Å
104N52.6Low49.3Very low136 Ų136140 Ų14073%0.72776%0.756SS**  trans-48.6113.7160.2-175.522.1000108.5Q102Q102-N104 PolarHBondContact O-N 3.44Å
105R49.3Very low49.4Very low211 Ų211141.6 Ų141.680%0.79677%0.769SS**  trans-146.282.3157.4-166.1167174147.9-3.3108.1R103R103-R105 PolarHBondContact O-N 3.11Å; R103-R105 VanDerWaalsContact O-N 3.11Å
106E49.4Very low49.3Very low153 Ų153143.6 Ų143.672%0.71577%0.772SS**  39.4110.9127.1-61.5172.998.200116.5T108E106-T108 PolarHBondContact O-N 3.18Å
107K52.1Low49.5Very low210 Ų210146.6 Ų146.691%0.91379%0.793SS**  trans-29.9113.4151-90.1172.1166.7-179.50111.9
108T45.4Very low49.6Very low146 Ų146148.3 Ų148.390%0.89680%0.796SS**  trans-160.8133.4138.3-51.50000109E106E106-T108 PolarHBondContact O-N 3.18Å
109G47.1Very low49.8Very low66 Ų66150 Ų15068%0.6881%0.805SS**  trans103.989150.600000116.4
110E50.8Low50Low186 Ų186151.9 Ų151.987%0.86981%0.805SS**  27.9139125.2-68.6-150.592.400121.6
111S50.8Low49.6Very low99 Ų99151.3 Ų151.369%0.69281%0.808SS**  trans91.4103.3137.3-66.80000120
112N50.1Low49.7Very low149 Ų149157 Ų15780%0.79782%0.819SS**  74.9143.9114.8-152.131.6000120.6
113C50.3Low49.8Very low83 Ų83154 Ų15456%0.56181%0.811SS**  trans72.6108.1157.3-80.10000119.7
114C51.7Low49.7Very low141 Ų141148.9 Ų148.995%0.95381%0.808SS**  trans-127.794.4132.8-77.20000109
115V49Very low49.4Very low112 Ų112149.8 Ų149.868%0.67981%0.814SS**  trans-96.5136.9154-83.20000108.2
116I46Very low49.4Very low150 Ų150144.8 Ų144.877%0.76982%0.816SS**  trans62.3116.7146-55.1161.8000118.5
117L50.7Low49.4Very low242 Ų242144 Ų144100%1.26783%0.825SS**  -157.70103.5-121.2138.1000111.3

Retrieved 117 of 117 residues in 899.3 ms (Link to these results)