A0A077ZMR0_TRITR Loading...

Integrator complex subunit 14 AlphaSync

AlphaFold DB , UniProt , Accession A0A077ZMR0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 468 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
1M81.9Confident93.3Very high35 Ų3514.4 Ų14.417%0.1727%0.074CC..  0177.20-68.9160.864.300107.6E45 S46 L105 R107 P219M1-E45 WeakPolarHBondContact CA-OE2 3.4Å; M1-E45 VanDerWaalsContact CB-OE2 3.24Å; M1-E45 WeakPolarHBondContact CB-OE2 3.3Å; M1-E45 PolarHBondContact N-OE2 3.47Å; M1-S46 PolarHBondContact O-N 2.85Å; M1-S46 VanDerWaalsContact O-N 3.09Å; M1-L105 HydrophobicContact CE-CB 3.66Å; M1-L105 HydrophobicContact CE-CD2 3.49Å; M1-L105 VanDerWaalsContact CE-CD2 3.49Å; M1-L105 HydrophobicContact CE-CG 3.39Å; M1-L105 WeakPolarHBondContact CE-O 3.44Å; M1-R107 HydrophobicContact CE-CG 4.49Å; M1-R107 PolarHBondContact SD-NH1 3.4Å; M1-P219 HydrophobicContact CG-CB 3.91Å; M1-P219 HydrophobicContact CG-CG 3.75Å; M1-P219 HydrophobicContact SD-CB 3.09Å; M1-P219 WeakPolarHBondContact SD-CB 3.39Å; M1-P219 HydrophobicContact SD-CG 3.42Å; M1-P219 WeakPolarHBondContact SD-CG 2.83Å
2P92.8Very high92.8Very high1 Ų116.3 Ų16.31%0.0069%0.089CC..EExtended strand (participates in β ladder)trans-103.4141.5169.236-32.9000112.5S46 F62 W100 T104 C106 R107P2-S46 CarbonylContact C-O 3.54Å; P2-S46 VanDerWaalsContact CA-O 3.29Å; P2-S46 WeakPolarHBondContact CA-O 3.45Å; P2-F62 HydrophobicContact CB-CD1 3.94Å; P2-F62 HydrophobicContact CB-CE1 3.64Å; P2-F62 HydrophobicContact CB-CZ 4.28Å; P2-W100 HydrophobicContact CB-CD2 4.05Å; P2-W100 HydrophobicContact CB-CG 4.18Å; P2-W100 HydrophobicContact CB-CZ2 3.96Å; P2-W100 VanDerWaalsContact CB-NE1 3.27Å; P2-W100 HydrophobicContact CG-CB 4.49Å; P2-W100 HydrophobicContact CG-CD2 3.84Å; P2-W100 HydrophobicContact CG-CG 3.75Å; P2-T104 HydrophobicContact CG-CG2 4.18Å; P2-C106 HydrophobicContact CG-CB 3.93Å; P2-C106 WeakPolarHBondContact CG-SG 3.38Å; P2-C106 WeakPolarHBondContact O-CA 3.43Å; P2-R107 PolarHBondContact O-N 3.27Å
3T95.4Very high92.6Very high0 Ų015 Ų150%08%0.082CC..EExtended strand (participates in β ladder)trans-119.4124.3174.5-66.80000109.8I5 I38 E45 S46 M47 A48 R107 I109 Y199T3-I5 HydrophobicContact CG2-CG1 4.27Å; T3-I38 HydrophobicContact CG2-CD1 4.12Å; T3-E45 PolarHBondContact N-OE1 3.07Å; T3-E45 PolarHBondContact OG1-OE1 3.04Å; T3-S46 PolarHBondContact N-O 3.05Å; T3-M47 CarbonylContact O-C 3.53Å; T3-M47 VanDerWaalsContact O-CA 3.26Å; T3-M47 WeakPolarHBondContact O-CA 3.49Å; T3-A48 PolarHBondContact O-N 2.77Å; T3-R107 CarbonylContact C-O 3.52Å; T3-R107 WeakPolarHBondContact CA-O 3.5Å; T3-R107 HydrophobicContact CG2-CB 4.47Å; T3-I109 HydrophobicContact CG2-CD1 4.13Å; T3-I109 HydrophobicContact CG2-CG1 4.44Å; T3-Y199 WeakPolarHBondContact CG2-OH 3.41Å; T3-Y199 WeakPolarHBondContact OG1-CE1 3.33Å; T3-Y199 PolarHBondContact OG1-OH 3.36Å
4L97.1Very high92.2Very high1 Ų120.5 Ų20.51%0.00511%0.111CC..EExtended strand (participates in β ladder)trans-101.5121.6173.7-172.366.2000109.1L6 A48 V50 F62 A92 L95 I96 R107 C108 I109L4-L6 HydrophobicContact CD2-CD2 3.74Å; L4-L6 HydrophobicContact CG-CD2 3.85Å; L4-A48 HydrophobicContact CD1-CB 3.64Å; L4-V50 HydrophobicContact CD1-CG2 3.58Å; L4-V50 HydrophobicContact CG-CG2 4.37Å; L4-F62 HydrophobicContact CD1-CZ 4.25Å; L4-A92 HydrophobicContact CD2-CB 3.66Å; L4-L95 HydrophobicContact CD1-CD2 3.81Å; L4-L95 HydrophobicContact CD2-CD2 4.46Å; L4-I96 HydrophobicContact CB-CD1 4.17Å; L4-I96 HydrophobicContact CB-CG1 4.35Å; L4-I96 HydrophobicContact CD2-CD1 3.96Å; L4-I96 HydrophobicContact CD2-CG1 4Å; L4-R107 PolarHBondContact N-O 3.33Å; L4-C108 CarbonylContact O-C 3.59Å; L4-C108 WeakPolarHBondContact O-CA 3.42Å; L4-I109 PolarHBondContact O-N 3.14Å
5I97.1Very high91.8Very high0 Ų023.7 Ų23.70%014%0.136CC..EExtended strand (participates in β ladder)trans-100.8115.9176.2-56.1174.6000107.7T3 L7 L34 A48 I49 V50 I109 F111T3-I5 HydrophobicContact CG2-CG1 4.27Å; I5-L7 HydrophobicContact CG2-CD2 3.63Å; I5-L7 HydrophobicContact CG2-CG 4.17Å; I5-L34 HydrophobicContact CD1-CD2 4.04Å; I5-L34 HydrophobicContact CG1-CD2 4.21Å; I5-A48 PolarHBondContact N-O 3.05Å; I5-I49 HydrophobicContact CB-CG1 4.37Å; I5-I49 WeakPolarHBondContact O-CA 3.46Å; I5-V50 PolarHBondContact O-N 3.13Å; I5-I109 CarbonylContact C-O 3.45Å; I5-I109 WeakPolarHBondContact CA-O 3.4Å; I5-F111 HydrophobicContact CG2-CD2 4.15Å; I5-F111 HydrophobicContact CG2-CE2 3.96Å
6L96.8Very high91.2Very high2 Ų226.3 Ų26.31%0.0116%0.155CC..EExtended strand (participates in β ladder)trans-98.7125.9174-52.8-176.6000108.9L4 V50 V52 A92 C108 I109 L110 F111L4-L6 HydrophobicContact CD2-CD2 3.74Å; L4-L6 HydrophobicContact CG-CD2 3.85Å; L6-V50 WeakPolarHBondContact CA-O 3.37Å; L6-V50 HydrophobicContact CD2-CB 3.73Å; L6-V50 HydrophobicContact CD2-CG1 4.01Å; L6-V50 HydrophobicContact CD2-CG2 4.31Å; L6-V52 HydrophobicContact CB-CG1 4.27Å; L6-V52 HydrophobicContact CB-CG2 4.21Å; L6-V52 HydrophobicContact CD2-CG1 4.16Å; L6-A92 HydrophobicContact CD1-CB 3.89Å; L6-A92 HydrophobicContact CD2-CB 4.1Å; L6-C108 VanDerWaalsContact CD1-SG 3.5Å; L6-I109 PolarHBondContact N-O 2.87Å; L6-L110 HydrophobicContact CB-CB 4.24Å; L6-L110 HydrophobicContact CB-CD1 3.57Å; L6-L110 HydrophobicContact CD1-CB 4.47Å; L6-L110 HydrophobicContact CD1-CD1 4.32Å; L6-L110 WeakPolarHBondContact O-CA 3.12Å; L6-F111 PolarHBondContact O-N 3.35Å
7L95.9Very high90.1Very high1 Ų127.9 Ų27.91%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-115.2122-177.1-61-175.7000109.9I5 F9 E27 I49 V50 V52 L73 F111I5-L7 HydrophobicContact CG2-CD2 3.63Å; I5-L7 HydrophobicContact CG2-CG 4.17Å; L7-F9 HydrophobicContact CB-CD2 4.05Å; L7-F9 HydrophobicContact CB-CE2 3.4Å; L7-F9 VanDerWaalsContact CB-CE2 3.4Å; L7-F9 HydrophobicContact CB-CZ 4Å; L7-F9 HydrophobicContact CD1-CE2 4.09Å; L7-F9 HydrophobicContact CD1-CZ 4.16Å; L7-F9 HydrophobicContact CG-CE2 4.4Å; L7-F9 WeakPolarHBondContact O-CD2 3.47Å; L7-F9 PolarHBondContact O-N 3.34Å; L7-E27 WeakPolarHBondContact CB-OE1 3.45Å; L7-E27 HydrophobicContact CD2-CG 3.79Å; L7-I49 HydrophobicContact CD1-CG2 3.56Å; L7-I49 HydrophobicContact CG-CG2 4.14Å; L7-V50 PolarHBondContact N-O 3.5Å; L7-V52 VanDerWaalsContact O-CG2 3.23Å; L7-V52 WeakPolarHBondContact O-CG2 3.3Å; L7-V52 PolarHBondContact O-N 3.42Å; L7-L73 HydrophobicContact CD1-CD2 3.75Å; L7-F111 HydrophobicContact CD2-CB 4.46Å; L7-F111 HydrophobicContact CD2-CD2 3.85Å; L7-F111 HydrophobicContact CD2-CG 4.38Å
8D93.9Very high89.3Confident0 Ų030.1 Ų30.10%018%0.18CC..EExtended strand (participates in β ladder)trans-82110.6-176.6-176.1-16.7000109.6S10 M13 E27 F111 T112D8-S10 WeakPolarHBondContact OD1-CB 3.35Å; D8-S10 PolarHBondContact OD1-N 3.5Å; D8-S10 PolarHBondContact OD1-OG 2.79Å; D8-M13 HydrophobicContact CB-CE 4.1Å; D8-M13 HydrophobicContact CB-CG 4.07Å; D8-M13 HydrophobicContact CB-SD 4.13Å; D8-M13 WeakPolarHBondContact O-CE 3.35Å; D8-M13 VanDerWaalsContact O-CG 3.31Å; D8-M13 WeakPolarHBondContact O-CG 3.38Å; D8-E27 PolarHBondContact N-OE2 3.46Å; D8-F111 WeakPolarHBondContact CB-O 3.32Å; D8-F111 PolarHBondContact N-O 2.75Å; D8-T112 VanDerWaalsContact OD2-CB 3.32Å; D8-T112 WeakPolarHBondContact OD2-CB 3.39Å; D8-T112 PolarHBondContact OD2-OG1 3.07Å
9F93.1Very high88.2Confident11 Ų1138.7 Ų38.75%0.04822%0.218CC..  trans-107.436.9176.6-69.9-76.1000111.8L7 L24 S51 V52 F77 V79 R80L7-F9 HydrophobicContact CB-CD2 4.05Å; L7-F9 HydrophobicContact CB-CE2 3.4Å; L7-F9 VanDerWaalsContact CB-CE2 3.4Å; L7-F9 HydrophobicContact CB-CZ 4Å; L7-F9 HydrophobicContact CD1-CE2 4.09Å; L7-F9 HydrophobicContact CD1-CZ 4.16Å; L7-F9 HydrophobicContact CG-CE2 4.4Å; L7-F9 WeakPolarHBondContact O-CD2 3.47Å; L7-F9 PolarHBondContact O-N 3.34Å; F9-L24 HydrophobicContact CD1-CD2 3.8Å; F9-L24 HydrophobicContact CE1-CD2 4.01Å; F9-S51 VanDerWaalsContact CD2-CB 3.41Å; F9-V52 PolarHBondContact N-O 2.81Å; F9-F77 HydrophobicContact CD1-CB 3.82Å; F9-F77 HydrophobicContact CD2-CB 4.32Å; F9-F77 HydrophobicContact CE1-CB 3.62Å; F9-F77 AromaticContact CE1-CD2 3.6Å; F9-F77 HydrophobicContact CE1-CD2 3.6Å; F9-F77 AromaticContact CE1-CG 3.98Å; F9-F77 HydrophobicContact CE1-CG 3.98Å; F9-F77 HydrophobicContact CE2-CB 4.05Å; F9-F77 AromaticContact CE2-CD2 3.78Å; F9-F77 HydrophobicContact CE2-CD2 3.78Å; F9-F77 HydrophobicContact CE2-CE2 4.31Å; F9-F77 AromaticContact CE2-CG 3.93Å; F9-F77 HydrophobicContact CE2-CG 3.93Å; F9-F77 HydrophobicContact CG-CB 4.18Å; F9-F77 HydrophobicContact CZ-CB 3.73Å; F9-F77 AromaticContact CZ-CD2 3.09Å; F9-F77 HydrophobicContact CZ-CD2 3.09Å; F9-F77 AromaticContact CZ-CE2 3.76Å; F9-F77 HydrophobicContact CZ-CE2 3.76Å; F9-F77 AromaticContact CZ-CG 3.6Å; F9-F77 HydrophobicContact CZ-CG 3.6Å; F9-V79 CarbonylContact O-C 3.6Å; F9-V79 WeakPolarHBondContact O-CA 3.47Å; F9-R80 PolarHBondContact O-N 3.14Å
10S91.9Very high87.4Confident1 Ų140.6 Ų40.61%0.00725%0.246CC..BIsolated β-bridgetrans-81157.8171.365.90000112.8D8 S12 M13 R80D8-S10 WeakPolarHBondContact OD1-CB 3.35Å; D8-S10 PolarHBondContact OD1-N 3.5Å; D8-S10 PolarHBondContact OD1-OG 2.79Å; S10-S12 PolarHBondContact O-N 2.71Å; S10-S12 VanDerWaalsContact O-N 3.08Å; S10-S12 PolarHBondContact OG-OG 2.98Å; S10-S12 VanDerWaalsContact OG-OG 3.12Å; S10-M13 WeakPolarHBondContact O-CB 3.37Å; S10-M13 PolarHBondContact O-N 3.46Å; S10-R80 CarbonylContact C-O 3.42Å; S10-R80 WeakPolarHBondContact CA-O 3.28Å
11L90.3Very high86.9Confident106 Ų10640.1 Ų40.156%0.55524%0.243SC*.G310 helixtrans-57.4-26.9-176.9-172.9125.6000113.5M13 L14 V79 R80L11-M13 VanDerWaalsContact C-N 3.27Å; L11-M13 PolarHBondContact O-N 3.39Å; L11-L14 WeakPolarHBondContact O-CB 3.1Å; L11-L14 PolarHBondContact O-N 2.83Å; L11-V79 HydrophobicContact CB-CG1 4.39Å; L11-R80 PolarHBondContact N-O 3.45Å
12S87.8Confident87.1Confident37 Ų3739.6 Ų39.626%0.25924%0.243SC..G310 helixtrans-71-22.2178.761.60000113.2S10 L14 S15 D113 S115S10-S12 PolarHBondContact O-N 2.71Å; S10-S12 VanDerWaalsContact O-N 3.08Å; S10-S12 PolarHBondContact OG-OG 2.98Å; S10-S12 VanDerWaalsContact OG-OG 3.12Å; S12-L14 PolarHBondContact O-N 3.26Å; S12-S15 WeakPolarHBondContact O-CB 3.27Å; S12-S15 PolarHBondContact O-N 2.78Å; S12-D113 WeakPolarHBondContact CB-OD2 3.27Å; S12-D113 PolarHBondContact OG-OD2 2.89Å; S12-S115 WeakPolarHBondContact CB-OG 3.36Å; S12-S115 PolarHBondContact OG-OG 2.99Å
13M89.4Confident87Confident0 Ų039.7 Ų39.70%024%0.244CC..G310 helixtrans-71.1-12.7175.1-64.6-77.7-68.500112.9D8 S10 L11 S15 L23 L24 E27 D113 L151D8-M13 HydrophobicContact CB-CE 4.1Å; D8-M13 HydrophobicContact CB-CG 4.07Å; D8-M13 HydrophobicContact CB-SD 4.13Å; D8-M13 WeakPolarHBondContact O-CE 3.35Å; D8-M13 VanDerWaalsContact O-CG 3.31Å; D8-M13 WeakPolarHBondContact O-CG 3.38Å; S10-M13 WeakPolarHBondContact O-CB 3.37Å; S10-M13 PolarHBondContact O-N 3.46Å; L11-M13 VanDerWaalsContact C-N 3.27Å; L11-M13 PolarHBondContact O-N 3.39Å; M13-S15 PolarHBondContact O-N 3.29Å; M13-L23 HydrophobicContact CE-CB 4.34Å; M13-L23 WeakPolarHBondContact O-CB 3.45Å; M13-L23 PolarHBondContact O-N 3.18Å; M13-L23 HydrophobicContact SD-CB 4.25Å; M13-L23 HydrophobicContact SD-CD1 4.49Å; M13-L24 HydrophobicContact CB-CD2 3.57Å; M13-L24 HydrophobicContact CB-CG 3.83Å; M13-L24 HydrophobicContact CE-CD2 4.27Å; M13-L24 HydrophobicContact CG-CD2 4.46Å; M13-L24 PolarHBondContact O-N 3.08Å; M13-E27 HydrophobicContact CE-CB 4.1Å; M13-E27 HydrophobicContact CE-CG 4.46Å; M13-E27 WeakPolarHBondContact CE-OE2 3.32Å; M13-D113 HydrophobicContact SD-CB 3.73Å; M13-D113 PolarHBondContact SD-N 3.42Å; M13-D113 VanDerWaalsContact SD-N 3.42Å; M13-L151 HydrophobicContact CE-CD1 3.71Å
14L87.7Confident86.7Confident92 Ų9240.8 Ų40.848%0.48225%0.249SC..G310 helixtrans-74.5-4.8168.5-66.6170.7000113.2L11 S12 L24 V79L11-L14 WeakPolarHBondContact O-CB 3.1Å; L11-L14 PolarHBondContact O-N 2.83Å; S12-L14 PolarHBondContact O-N 3.26Å; L14-L24 HydrophobicContact CD2-CD1 3.6Å; L14-L24 HydrophobicContact CG-CD1 4.25Å; L14-V79 HydrophobicContact CD1-CB 4.47Å; L14-V79 HydrophobicContact CD1-CG1 3.98Å; L14-V79 HydrophobicContact CD1-CG2 4.4Å; L14-V79 HydrophobicContact CD2-CG2 4.26Å; L14-V79 HydrophobicContact CG-CG1 4.28Å; L14-V79 HydrophobicContact CG-CG2 4.37Å
15S85.4Confident86.4Confident69 Ų6943.6 Ų43.648%0.48326%0.264SS..  trans-60.8142.2175.2-1730000111.4S12 M13 P17 C22 L23S12-S15 WeakPolarHBondContact O-CB 3.27Å; S12-S15 PolarHBondContact O-N 2.78Å; M13-S15 PolarHBondContact O-N 3.29Å; S15-P17 WeakPolarHBondContact O-CD 3.36Å; S15-C22 CarbonylContact O-C 3.57Å; S15-C22 WeakPolarHBondContact O-CA 3.49Å; S15-L23 PolarHBondContact O-N 2.94Å
16S82.4Confident86.1Confident65 Ų6543.6 Ų43.646%0.45526%0.264SS..  trans-109.999.2-179.4-160.80000108.9V18 T21S16-V18 VanDerWaalsContact C-N 3.31Å; S16-V18 PolarHBondContact OG-O 2.59Å; S16-T21 WeakPolarHBondContact CA-O 3.41Å; S16-T21 PolarHBondContact OG-O 3.26Å
17P72.7Confident85.9Confident54 Ų5443.6 Ų43.635%0.35126%0.264SS..SBendtrans-72.6-24.8178.429.7-37.1000113S15 T21 L23 L26S15-P17 WeakPolarHBondContact O-CD 3.36Å; P17-T21 WeakPolarHBondContact CD-O 3.4Å; P17-L23 HydrophobicContact CB-CD2 4.49Å; P17-L23 HydrophobicContact CG-CD2 3.68Å; P17-L23 HydrophobicContact CG-CG 4.48Å; P17-L26 HydrophobicContact CG-CD1 4.33Å
18V75Confident85.7Confident66 Ų6647.9 Ų47.940%0.428%0.28SS..BIsolated β-bridgetrans-128.5147.3175.5-177.60000107.4S16 G20 T21 I183S16-V18 VanDerWaalsContact C-N 3.31Å; S16-V18 PolarHBondContact OG-O 2.59Å; V18-G20 PolarHBondContact O-N 2.96Å; V18-G20 VanDerWaalsContact O-N 3.14Å; V18-T21 PolarHBondContact O-N 3.35Å; V18-I183 HydrophobicContact CG2-CG1 4.46Å
19E69.9Low85.7Confident195 Ų19552.1 Ų52.191%0.91130%0.297SS*.THydrogen-bonded Turntrans-56.7119.7177.8-70.2-172166.300110.8
20G70.9Confident85.7Confident75 Ų7551.6 Ų51.677%0.77330%0.295SS*.THydrogen-bonded Turntrans93.50.2173.100000116.5V18V18-G20 PolarHBondContact O-N 2.96Å; V18-G20 VanDerWaalsContact O-N 3.14Å
21T78.2Confident85.9Confident31 Ų3151.5 Ų51.519%0.1929%0.294CS..BIsolated β-bridgetrans-130125.1174.3550000111.1S16 P17 V18 F184S16-T21 WeakPolarHBondContact CA-O 3.41Å; S16-T21 PolarHBondContact OG-O 3.26Å; P17-T21 WeakPolarHBondContact CD-O 3.4Å; V18-T21 PolarHBondContact O-N 3.35Å; T21-F184 HydrophobicContact CG2-CE2 3.94Å; T21-F184 HydrophobicContact CG2-CZ 4.14Å
22C85.6Confident86.1Confident25 Ų2548.1 Ų48.117%0.16928%0.278CS..  trans-88.4162172700000111.2S15 L24 D25 L26S15-C22 CarbonylContact O-C 3.57Å; S15-C22 WeakPolarHBondContact O-CA 3.49Å; C22-L24 PolarHBondContact O-N 2.75Å; C22-D25 PolarHBondContact N-OD2 3.46Å; C22-D25 WeakPolarHBondContact O-CB 3.48Å; C22-D25 PolarHBondContact O-N 3.37Å; C22-D25 PolarHBondContact SG-OD2 3.28Å; C22-L26 PolarHBondContact O-N 3.18Å
23L89.7Confident86.4Confident3 Ų347.9 Ų47.92%0.01627%0.272CS..Hα-helixtrans-61.9-29.2177-60.5172.9000112M13 S15 P17 D25 L26 E27 D113 L151M13-L23 HydrophobicContact CE-CB 4.34Å; M13-L23 WeakPolarHBondContact O-CB 3.45Å; M13-L23 PolarHBondContact O-N 3.18Å; M13-L23 HydrophobicContact SD-CB 4.25Å; M13-L23 HydrophobicContact SD-CD1 4.49Å; S15-L23 PolarHBondContact O-N 2.94Å; P17-L23 HydrophobicContact CB-CD2 4.49Å; P17-L23 HydrophobicContact CG-CD2 3.68Å; P17-L23 HydrophobicContact CG-CG 4.48Å; L23-D25 VanDerWaalsContact C-N 3.32Å; L23-D25 PolarHBondContact O-N 3.27Å; L23-L26 HydrophobicContact CD2-CD1 4.1Å; L23-L26 WeakPolarHBondContact O-CB 2.96Å; L23-L26 PolarHBondContact O-N 3.3Å; L23-E27 WeakPolarHBondContact O-CB 3.37Å; L23-E27 PolarHBondContact O-N 3Å; L23-D113 HydrophobicContact CD1-CB 3.66Å; L23-L151 HydrophobicContact CD2-CB 4.01Å
24L90.2Very high86.7Confident23 Ų2347.9 Ų47.912%0.1227%0.272CS..Hα-helixtrans-63.3-34.6172.7-66.7175.9000112.9F9 M13 L14 C22 L26 E27 R28 V79F9-L24 HydrophobicContact CD1-CD2 3.8Å; F9-L24 HydrophobicContact CE1-CD2 4.01Å; M13-L24 HydrophobicContact CB-CD2 3.57Å; M13-L24 HydrophobicContact CB-CG 3.83Å; M13-L24 HydrophobicContact CE-CD2 4.27Å; M13-L24 HydrophobicContact CG-CD2 4.46Å; M13-L24 PolarHBondContact O-N 3.08Å; L14-L24 HydrophobicContact CD2-CD1 3.6Å; L14-L24 HydrophobicContact CG-CD1 4.25Å; C22-L24 PolarHBondContact O-N 2.75Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-E27 PolarHBondContact O-N 2.89Å; L24-R28 WeakPolarHBondContact O-CB 3.45Å; L24-R28 PolarHBondContact O-N 3.39Å; L24-V79 HydrophobicContact CD1-CG2 3.79Å
25D89.7Confident87.1Confident59 Ų5943.5 Ų43.532%0.31625%0.249SC..Hα-helixtrans-67.2-39.6175.9-62.2-44.3000110.9C22 L23 Y29C22-D25 PolarHBondContact N-OD2 3.46Å; C22-D25 WeakPolarHBondContact O-CB 3.48Å; C22-D25 PolarHBondContact O-N 3.37Å; C22-D25 PolarHBondContact SG-OD2 3.28Å; L23-D25 VanDerWaalsContact C-N 3.32Å; L23-D25 PolarHBondContact O-N 3.27Å; D25-Y29 WeakPolarHBondContact O-CB 3.18Å; D25-Y29 PolarHBondContact O-N 3.06Å
26L91.2Very high87.5Confident0 Ų043.2 Ų43.20%024%0.24CC..Hα-helixtrans-64.9-44.6173.4-71.4167000111.4P17 C22 L23 L24 Y29 G30 S182 F184 L187P17-L26 HydrophobicContact CG-CD1 4.33Å; C22-L26 PolarHBondContact O-N 3.18Å; L23-L26 HydrophobicContact CD2-CD1 4.1Å; L23-L26 WeakPolarHBondContact O-CB 2.96Å; L23-L26 PolarHBondContact O-N 3.3Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L26-Y29 PolarHBondContact O-N 3Å; L26-G30 PolarHBondContact O-N 3.49Å; L26-S182 WeakPolarHBondContact CD1-O 3.32Å; L26-F184 HydrophobicContact CD2-CD1 3.54Å; L26-F184 HydrophobicContact CD2-CD2 4.3Å; L26-F184 HydrophobicContact CD2-CE1 3.66Å; L26-F184 HydrophobicContact CD2-CE2 4.39Å; L26-F184 HydrophobicContact CD2-CG 3.89Å; L26-F184 HydrophobicContact CD2-CZ 4.09Å; L26-F184 HydrophobicContact CG-CE1 4.31Å; L26-L187 HydrophobicContact CB-CD2 4.27Å; L26-L187 WeakPolarHBondContact O-CD2 3.2Å
27E93Very high88.1Confident3 Ų340.4 Ų40.41%0.01422%0.22CC..Hα-helixtrans-59.6-46.7176.3-179.1178.989.900111.6L7 D8 M13 L23 L24 G30 S31 F111 L151L7-E27 WeakPolarHBondContact CB-OE1 3.45Å; L7-E27 HydrophobicContact CD2-CG 3.79Å; D8-E27 PolarHBondContact N-OE2 3.46Å; M13-E27 HydrophobicContact CE-CB 4.1Å; M13-E27 HydrophobicContact CE-CG 4.46Å; M13-E27 WeakPolarHBondContact CE-OE2 3.32Å; L23-E27 WeakPolarHBondContact O-CB 3.37Å; L23-E27 PolarHBondContact O-N 3Å; L24-E27 PolarHBondContact O-N 2.89Å; E27-G30 PolarHBondContact O-N 3.17Å; E27-S31 WeakPolarHBondContact O-CB 3.35Å; E27-S31 PolarHBondContact O-N 3Å; E27-S31 PolarHBondContact O-OG 2.87Å; E27-F111 HydrophobicContact CG-CB 3.67Å; E27-F111 HydrophobicContact CG-CD1 4.39Å; E27-F111 HydrophobicContact CG-CG 4.06Å; E27-F111 VanDerWaalsContact OE2-CB 3.31Å; E27-F111 WeakPolarHBondContact OE2-CB 3.39Å; E27-L151 HydrophobicContact CB-CD1 3.84Å
28R92.4Very high89Confident90 Ų9037.9 Ų37.934%0.3420%0.204SC..Hα-helixtrans-61.1-46.5177.7-177.9-177.8-67.6166.91.2111.7L24 S31 T32 L73L24-R28 WeakPolarHBondContact O-CB 3.45Å; L24-R28 PolarHBondContact O-N 3.39Å; R28-S31 WeakPolarHBondContact CA-OG 3.5Å; R28-S31 PolarHBondContact O-OG 3.25Å; R28-T32 WeakPolarHBondContact O-CB 3.47Å; R28-T32 PolarHBondContact O-N 3Å; R28-T32 VanDerWaalsContact O-N 3.13Å; R28-T32 PolarHBondContact O-OG1 3.46Å; R28-L73 WeakPolarHBondContact CD-O 3.39Å; R28-L73 VanDerWaalsContact CG-O 3.27Å; R28-L73 WeakPolarHBondContact CG-O 3.11Å; R28-L73 PolarHBondContact NE-O 2.82Å
29Y92.7Very high89.8Confident89 Ų8937.2 Ų37.235%0.34919%0.194SC..Hα-helixtrans-61.5-47.1175.7175.9-92.8000111.2D25 L26 T32 Y33 F184D25-Y29 WeakPolarHBondContact O-CB 3.18Å; D25-Y29 PolarHBondContact O-N 3.06Å; L26-Y29 PolarHBondContact O-N 3Å; Y29-T32 PolarHBondContact O-N 3.41Å; Y29-Y33 VanDerWaalsContact O-CB 3.31Å; Y29-Y33 WeakPolarHBondContact O-CB 3.2Å; Y29-Y33 PolarHBondContact O-N 2.98Å; Y29-F184 HydrophobicContact CD1-CB 4.21Å; Y29-F184 AromaticContact CD1-CD1 3.48Å; Y29-F184 HydrophobicContact CD1-CD1 3.48Å; Y29-F184 VanDerWaalsContact CD1-CD1 3.48Å; Y29-F184 HydrophobicContact CD1-CE1 4.33Å; Y29-F184 HydrophobicContact CD1-CG 4.3Å; Y29-F184 HydrophobicContact CD2-CD1 4.03Å; Y29-F184 HydrophobicContact CD2-CE1 4.42Å; Y29-F184 HydrophobicContact CE1-CB 3.98Å; Y29-F184 HydrophobicContact CE1-CD1 4.09Å; Y29-F184 AromaticContact CG-CD1 3.43Å; Y29-F184 HydrophobicContact CG-CD1 3.43Å; Y29-F184 VanDerWaalsContact CG-CD1 3.43Å; Y29-F184 AromaticContact CG-CE1 3.88Å; Y29-F184 HydrophobicContact CG-CE1 3.88Å; Y29-F184 HydrophobicContact CG-CG 4.46Å
30G94.3Very high90.7Very high0 Ų034.4 Ų34.40%018%0.179CC..Hα-helixtrans-63.6-46.3-178.100000113L26 E27 T32 Y33 L34 I191L26-G30 PolarHBondContact O-N 3.49Å; E27-G30 PolarHBondContact O-N 3.17Å; G30-T32 PolarHBondContact O-N 2.96Å; G30-Y33 PolarHBondContact O-N 3.04Å; G30-L34 WeakPolarHBondContact O-CB 3.12Å; G30-L34 PolarHBondContact O-N 3.39Å; G30-I191 WeakPolarHBondContact O-CD1 3.3Å
31S94.3Very high91.4Very high0 Ų034.6 Ų34.60%016%0.158CC..Hα-helixtrans-63.6-39.9177.653.40000112.3E27 R28 A35E27-S31 WeakPolarHBondContact O-CB 3.35Å; E27-S31 PolarHBondContact O-N 3Å; E27-S31 PolarHBondContact O-OG 2.87Å; R28-S31 WeakPolarHBondContact CA-OG 3.5Å; R28-S31 PolarHBondContact O-OG 3.25Å; S31-A35 PolarHBondContact O-N 3.46Å
32T94.9Very high91.7Very high35 Ų3533.7 Ų33.722%0.21515%0.152CC..Hα-helixtrans-64-51.6173.8-54.60000110.7R28 Y29 G30 L34 A35 E36 L73R28-T32 WeakPolarHBondContact O-CB 3.47Å; R28-T32 PolarHBondContact O-N 3Å; R28-T32 VanDerWaalsContact O-N 3.13Å; R28-T32 PolarHBondContact O-OG1 3.46Å; Y29-T32 PolarHBondContact O-N 3.41Å; G30-T32 PolarHBondContact O-N 2.96Å; T32-L34 VanDerWaalsContact C-N 3.29Å; T32-L34 PolarHBondContact O-N 2.92Å; T32-A35 PolarHBondContact O-N 2.97Å; T32-E36 WeakPolarHBondContact O-CG 3.23Å; T32-E36 PolarHBondContact O-N 2.96Å; T32-L73 WeakPolarHBondContact OG1-CD1 3.32Å
33Y95.7Very high91.5Very high31 Ų3137.1 Ų37.112%0.12217%0.166CC..Hα-helixtrans-61.7-37.8180-176.3-100.9000112.4Y29 G30 S37 K188 I191 D192Y29-Y33 VanDerWaalsContact O-CB 3.31Å; Y29-Y33 WeakPolarHBondContact O-CB 3.2Å; Y29-Y33 PolarHBondContact O-N 2.98Å; G30-Y33 PolarHBondContact O-N 3.04Å; Y33-S37 WeakPolarHBondContact CE1-OG 3.48Å; Y33-S37 WeakPolarHBondContact O-CB 3.31Å; Y33-S37 PolarHBondContact O-N 2.6Å; Y33-S37 PolarHBondContact O-OG 3.12Å; Y33-K188 HydrophobicContact CD1-CG 3.94Å; Y33-K188 HydrophobicContact CD2-CG 4.4Å; Y33-K188 HydrophobicContact CE1-CB 4.31Å; Y33-K188 HydrophobicContact CE1-CD 4.47Å; Y33-K188 HydrophobicContact CE1-CG 3.38Å; Y33-K188 HydrophobicContact CE2-CD 4.18Å; Y33-K188 HydrophobicContact CE2-CG 3.88Å; Y33-K188 HydrophobicContact CG-CG 4.43Å; Y33-K188 VanDerWaalsContact CZ-CE 3.43Å; Y33-K188 WeakPolarHBondContact OH-CE 3.49Å; Y33-I191 HydrophobicContact CD1-CB 3.99Å; Y33-I191 HydrophobicContact CD1-CD1 4.01Å; Y33-I191 HydrophobicContact CD1-CG2 3.66Å; Y33-I191 HydrophobicContact CE1-CB 4.22Å; Y33-I191 HydrophobicContact CE1-CG2 3.92Å; Y33-D192 VanDerWaalsContact CE1-OD1 3.28Å; Y33-D192 WeakPolarHBondContact CE1-OD1 3.31Å; Y33-D192 VanDerWaalsContact OH-CG 3.28Å; Y33-D192 PolarHBondContact OH-OD1 2.92Å; Y33-D192 PolarHBondContact OH-OD2 2.64Å
34L95.8Very high91.2Very high0 Ų039 Ų390%018%0.176CC..Hα-helixtrans-60-51.3173.8174.869.2000111I5 G30 T32 E36 S37 I38 I109 F111 I191 V195I5-L34 HydrophobicContact CD1-CD2 4.04Å; I5-L34 HydrophobicContact CG1-CD2 4.21Å; G30-L34 WeakPolarHBondContact O-CB 3.12Å; G30-L34 PolarHBondContact O-N 3.39Å; T32-L34 VanDerWaalsContact C-N 3.29Å; T32-L34 PolarHBondContact O-N 2.92Å; L34-E36 VanDerWaalsContact C-N 3.34Å; L34-E36 PolarHBondContact O-N 2.91Å; L34-S37 PolarHBondContact O-N 2.97Å; L34-S37 VanDerWaalsContact O-N 3.13Å; L34-I38 HydrophobicContact CD1-CD1 3.87Å; L34-I38 HydrophobicContact CD1-CG1 4.15Å; L34-I38 HydrophobicContact CG-CD1 3.86Å; L34-I38 HydrophobicContact CG-CG1 4.45Å; L34-I38 VanDerWaalsContact O-CG1 3.28Å; L34-I38 WeakPolarHBondContact O-CG1 3.24Å; L34-I38 PolarHBondContact O-N 2.88Å; L34-I109 HydrophobicContact CD1-CD1 3.82Å; L34-I109 HydrophobicContact CD2-CB 4.24Å; L34-I109 HydrophobicContact CD2-CD1 3.68Å; L34-I109 HydrophobicContact CD2-CG2 3.92Å; L34-I109 HydrophobicContact CG-CD1 4.28Å; L34-F111 HydrophobicContact CD2-CE2 3.83Å; L34-F111 HydrophobicContact CD2-CZ 3.92Å; L34-I191 HydrophobicContact CB-CD1 4.35Å; L34-I191 HydrophobicContact CB-CG2 4.03Å; L34-I191 HydrophobicContact CD1-CG2 3.79Å; L34-V195 HydrophobicContact CD1-CG2 3.81Å
35A94.9Very high91.2Very high0 Ų037.9 Ų37.90%017%0.17CC..Hα-helixtrans-60.3-42.7-179.900000112.2S31 T32 S37 R39 M47 L66 I69S31-A35 PolarHBondContact O-N 3.46Å; T32-A35 PolarHBondContact O-N 2.97Å; A35-S37 PolarHBondContact O-N 3.04Å; A35-R39 WeakPolarHBondContact O-CB 3.44Å; A35-R39 PolarHBondContact O-N 3.28Å; A35-M47 HydrophobicContact CB-CE 4.3Å; A35-M47 HydrophobicContact CB-SD 3.94Å; A35-L66 HydrophobicContact CB-CD1 3.89Å; A35-I69 HydrophobicContact CB-CD1 4.37Å; A35-I69 HydrophobicContact CB-CG2 3.73Å
36E94.5Very high91.3Very high64 Ų6435.7 Ų35.730%0.29916%0.159SC..Hα-helixtrans-62.5-41.5174-69.2-172.5167.900112.5T32 L34 R39 K40 L66 H70T32-E36 WeakPolarHBondContact O-CG 3.23Å; T32-E36 PolarHBondContact O-N 2.96Å; L34-E36 VanDerWaalsContact C-N 3.34Å; L34-E36 PolarHBondContact O-N 2.91Å; E36-R39 PolarHBondContact O-N 3.27Å; E36-K40 VanDerWaalsContact O-CG 3.29Å; E36-K40 WeakPolarHBondContact O-CG 3.38Å; E36-K40 PolarHBondContact O-N 2.84Å; E36-L66 HydrophobicContact CG-CD2 4.4Å; E36-H70 WeakPolarHBondContact CG-NE2 3.19Å; E36-H70 IonicContact OE1-CE1 3.68Å; E36-H70 PolarHBondContact OE1-CE1 3.19Å; E36-H70 IonicContact OE1-NE2 2.83Å
37S93.9Very high91.5Very high6 Ų635.7 Ų35.74%0.04216%0.159CC..Hα-helixtrans-71.3-40.7-176.6-62.60000111.9Y33 L34 A35 K40 K41Y33-S37 WeakPolarHBondContact CE1-OG 3.48Å; Y33-S37 WeakPolarHBondContact O-CB 3.31Å; Y33-S37 PolarHBondContact O-N 2.6Å; Y33-S37 PolarHBondContact O-OG 3.12Å; L34-S37 PolarHBondContact O-N 2.97Å; L34-S37 VanDerWaalsContact O-N 3.13Å; A35-S37 PolarHBondContact O-N 3.04Å; S37-K40 PolarHBondContact O-N 3.39Å; S37-K41 PolarHBondContact O-N 3.37Å
38I92.7Very high91.7Very high0 Ų035.6 Ų35.60%016%0.159CC..Hα-helixtrans-58.6-52170.4-67.5171000108.7T3 L34 K40 K41 D42 E45 M47 V195 Y199T3-I38 HydrophobicContact CG2-CD1 4.12Å; L34-I38 HydrophobicContact CD1-CD1 3.87Å; L34-I38 HydrophobicContact CD1-CG1 4.15Å; L34-I38 HydrophobicContact CG-CD1 3.86Å; L34-I38 HydrophobicContact CG-CG1 4.45Å; L34-I38 VanDerWaalsContact O-CG1 3.28Å; L34-I38 WeakPolarHBondContact O-CG1 3.24Å; L34-I38 PolarHBondContact O-N 2.88Å; I38-K40 VanDerWaalsContact C-N 3.25Å; I38-K40 PolarHBondContact O-N 2.87Å; I38-K41 PolarHBondContact O-N 3.42Å; I38-D42 PolarHBondContact O-N 3.04Å; I38-E45 HydrophobicContact CG2-CB 3.74Å; I38-E45 HydrophobicContact CG2-CG 3.71Å; I38-M47 HydrophobicContact CB-SD 4.25Å; I38-M47 HydrophobicContact CD1-SD 3.98Å; I38-M47 HydrophobicContact CG2-SD 4.13Å; I38-V195 HydrophobicContact CG1-CG2 4.15Å; I38-Y199 HydrophobicContact CD1-CE1 3.96Å; I38-Y199 HydrophobicContact CD1-CE2 4.29Å; I38-Y199 HydrophobicContact CG1-CD1 4.19Å; I38-Y199 HydrophobicContact CG1-CD2 4.36Å; I38-Y199 HydrophobicContact CG1-CE1 3.95Å; I38-Y199 HydrophobicContact CG1-CE2 4.1Å; I38-Y199 HydrophobicContact CG1-CG 4.37Å; I38-Y199 HydrophobicContact CG2-CD1 3.88Å; I38-Y199 HydrophobicContact CG2-CE1 3.9Å
39R90.8Very high91.9Very high53 Ų5331.3 Ų31.320%0.214%0.142CC..Hα-helixtrans-59-34.2-177.9-178.550.255.6102.112.4113.5A35 E36 K41 Q64 L66A35-R39 WeakPolarHBondContact O-CB 3.44Å; A35-R39 PolarHBondContact O-N 3.28Å; E36-R39 PolarHBondContact O-N 3.27Å; R39-K41 VanDerWaalsContact C-N 3.26Å; R39-K41 PolarHBondContact O-N 2.91Å; R39-Q64 PolarHBondContact NH1-O 3.04Å; R39-Q64 PolarHBondContact NH2-O 3.19Å; R39-L66 HydrophobicContact CB-CD1 4.34Å; R39-L66 HydrophobicContact CB-CD2 4.46Å; R39-L66 HydrophobicContact CG-CD2 4.27Å
40K88.6Confident92.1Very high135 Ų13527.1 Ų27.159%0.58713%0.126SC*.Hα-helixtrans-65.2-27.7175.8-75.6166.6-170.7162.10113.1E36 S37 I38E36-K40 VanDerWaalsContact O-CG 3.29Å; E36-K40 WeakPolarHBondContact O-CG 3.38Å; E36-K40 PolarHBondContact O-N 2.84Å; S37-K40 PolarHBondContact O-N 3.39Å; I38-K40 VanDerWaalsContact C-N 3.25Å; I38-K40 PolarHBondContact O-N 2.87Å
41K85.8Confident92.1Very high80 Ų8027.1 Ų27.135%0.34813%0.126SC..Hα-helixtrans-101.5-39.6-177.5-63.9-161-171.61750113.8S37 I38 R39 V195 G196S37-K41 PolarHBondContact O-N 3.37Å; I38-K41 PolarHBondContact O-N 3.42Å; R39-K41 VanDerWaalsContact C-N 3.26Å; R39-K41 PolarHBondContact O-N 2.91Å; K41-V195 HydrophobicContact CD-CG1 3.67Å; K41-V195 HydrophobicContact CG-CG1 4.18Å; K41-V195 PolarHBondContact NZ-O 2.87Å; K41-G196 VanDerWaalsContact NZ-N 3.2Å
42D84.5Confident92.1Very high11 Ų1127.1 Ų27.16%0.05913%0.126CC..  trans-131.2104.9179.3-168.7-13.2000110I38 L44 E45 V218I38-D42 PolarHBondContact O-N 3.04Å; D42-L44 PolarHBondContact O-N 3.12Å; D42-L44 WeakPolarHBondContact OD1-CB 3.49Å; D42-L44 PolarHBondContact OD1-N 3.05Å; D42-E45 HydrophobicContact CB-CB 4.16Å; D42-E45 PolarHBondContact OD1-N 2.89Å; D42-V218 WeakPolarHBondContact OD2-CG1 3.46Å
43E82.9Confident92Very high97 Ų9725.4 Ų25.445%0.45312%0.116SC..THydrogen-bonded Turntrans-73.4-15.8179-64.3-179.7-176.700113.3
44L83Confident91.6Very high43 Ų4328.1 Ų28.123%0.22513%0.13CC..THydrogen-bonded Turntrans-99.6-9.1-174.3-61.4176.3000112.9D42 S46 Q64 I261D42-L44 PolarHBondContact O-N 3.12Å; D42-L44 WeakPolarHBondContact OD1-CB 3.49Å; D42-L44 PolarHBondContact OD1-N 3.05Å; L44-S46 PolarHBondContact O-N 2.57Å; L44-Q64 PolarHBondContact O-NE2 3.35Å; L44-I261 HydrophobicContact CD1-CD1 3.5Å; L44-I261 VanDerWaalsContact CD1-CD1 3.5Å
45E88.9Confident91.4Very high0 Ų030.6 Ų30.60%014%0.143CC..  trans-63125179.2-16771.2-172.800110.5M1 T3 I38 D42 R107 Y199M1-E45 WeakPolarHBondContact CA-OE2 3.4Å; M1-E45 VanDerWaalsContact CB-OE2 3.24Å; M1-E45 WeakPolarHBondContact CB-OE2 3.3Å; M1-E45 PolarHBondContact N-OE2 3.47Å; T3-E45 PolarHBondContact N-OE1 3.07Å; T3-E45 PolarHBondContact OG1-OE1 3.04Å; I38-E45 HydrophobicContact CG2-CB 3.74Å; I38-E45 HydrophobicContact CG2-CG 3.71Å; D42-E45 HydrophobicContact CB-CB 4.16Å; D42-E45 PolarHBondContact OD1-N 2.89Å; E45-R107 IonicContact OE1-NH1 2.88Å; E45-Y199 HydrophobicContact CG-CD1 4.43Å; E45-Y199 HydrophobicContact CG-CE1 4.06Å
46S92.8Very high91.3Very high13 Ų1332 Ų329%0.09115%0.151CC..EExtended strand (participates in β ladder)trans-93127.6175.5-57.40000109.2M1 P2 T3 L44M1-S46 PolarHBondContact O-N 2.85Å; M1-S46 VanDerWaalsContact O-N 3.09Å; P2-S46 CarbonylContact C-O 3.54Å; P2-S46 VanDerWaalsContact CA-O 3.29Å; P2-S46 WeakPolarHBondContact CA-O 3.45Å; T3-S46 PolarHBondContact N-O 3.05Å; L44-S46 PolarHBondContact O-N 2.57Å
47M95.7Very high91.3Very high0 Ų032.9 Ų32.90%016%0.155CC..EExtended strand (participates in β ladder)trans-115.1139.2-176.3-68.5175.6-79.300110.8T3 A35 I38 F62 T63 I69T3-M47 CarbonylContact O-C 3.53Å; T3-M47 VanDerWaalsContact O-CA 3.26Å; T3-M47 WeakPolarHBondContact O-CA 3.49Å; A35-M47 HydrophobicContact CB-CE 4.3Å; A35-M47 HydrophobicContact CB-SD 3.94Å; I38-M47 HydrophobicContact CB-SD 4.25Å; I38-M47 HydrophobicContact CD1-SD 3.98Å; I38-M47 HydrophobicContact CG2-SD 4.13Å; M47-F62 CarbonylContact O-C 3.58Å; M47-F62 WeakPolarHBondContact O-CA 3.31Å; M47-T63 PolarHBondContact N-O 3.04Å; M47-T63 PolarHBondContact O-N 3.48Å; M47-I69 HydrophobicContact CB-CD1 3.86Å; M47-I69 HydrophobicContact CE-CD1 3.61Å; M47-I69 HydrophobicContact SD-CD1 4.14Å
48A96.7Very high91.4Very high0 Ų036.5 Ų36.50%017%0.174CC..EExtended strand (participates in β ladder)trans-123.3149.3170.600000109.8T3 L4 I5 L58 L60 F62T3-A48 PolarHBondContact O-N 2.77Å; L4-A48 HydrophobicContact CD1-CB 3.64Å; I5-A48 PolarHBondContact N-O 3.05Å; A48-L58 HydrophobicContact CB-CD1 4.49Å; A48-L60 WeakPolarHBondContact CA-O 3.5Å; A48-L60 WeakPolarHBondContact CB-O 3.4Å; A48-F62 HydrophobicContact CB-CB 4.48Å; A48-F62 HydrophobicContact CB-CD1 3.56Å; A48-F62 HydrophobicContact CB-CD2 4.08Å; A48-F62 HydrophobicContact CB-CE1 3.64Å; A48-F62 HydrophobicContact CB-CE2 4.17Å; A48-F62 HydrophobicContact CB-CG 3.79Å; A48-F62 HydrophobicContact CB-CZ 3.95Å
49I96.4Very high91.4Very high0 Ų039.3 Ų39.30%019%0.187CC..EExtended strand (participates in β ladder)trans-118.7130.5177.8-64.1171.6000109.1I5 L7 E59 L60 I69 L72 L73I5-I49 HydrophobicContact CB-CG1 4.37Å; I5-I49 WeakPolarHBondContact O-CA 3.46Å; L7-I49 HydrophobicContact CD1-CG2 3.56Å; L7-I49 HydrophobicContact CG-CG2 4.14Å; I49-E59 HydrophobicContact CG2-CB 4.39Å; I49-E59 PolarHBondContact O-N 2.89Å; I49-L60 HydrophobicContact CB-CB 4.2Å; I49-L60 HydrophobicContact CD1-CD2 4.36Å; I49-L60 PolarHBondContact N-O 2.98Å; I49-L60 PolarHBondContact O-N 3.44Å; I49-L60 VanDerWaalsContact O-N 3.12Å; I49-I69 HydrophobicContact CD1-CB 4.46Å; I49-I69 HydrophobicContact CD1-CG1 4.48Å; I49-I69 HydrophobicContact CD1-CG2 3.84Å; I49-L72 HydrophobicContact CB-CD2 3.89Å; I49-L72 HydrophobicContact CD1-CD2 3.67Å; I49-L72 HydrophobicContact CG1-CD2 4.36Å; I49-L72 HydrophobicContact CG2-CD2 3.92Å; I49-L73 HydrophobicContact CD1-CD1 4.24Å; I49-L73 HydrophobicContact CD1-CD2 3.95Å; I49-L73 HydrophobicContact CD1-CG 3.99Å
50V96.4Very high91.6Very high1 Ų138 Ų381%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-129.3127.9179.8176.80000109.1L4 I5 L6 L7 V52 V56 H57 L58 L95L4-V50 HydrophobicContact CD1-CG2 3.58Å; L4-V50 HydrophobicContact CG-CG2 4.37Å; I5-V50 PolarHBondContact O-N 3.13Å; L6-V50 WeakPolarHBondContact CA-O 3.37Å; L6-V50 HydrophobicContact CD2-CB 3.73Å; L6-V50 HydrophobicContact CD2-CG1 4.01Å; L6-V50 HydrophobicContact CD2-CG2 4.31Å; L7-V50 PolarHBondContact N-O 3.5Å; V50-V52 HydrophobicContact CG1-CG1 3.83Å; V50-V56 HydrophobicContact CG1-CG1 3.34Å; V50-H57 CarbonylContact C-O 3.03Å; V50-H57 VanDerWaalsContact CA-O 3.32Å; V50-H57 WeakPolarHBondContact CA-O 3.33Å; V50-H57 WeakPolarHBondContact CG1-O 3.41Å; V50-L58 HydrophobicContact CG2-CD1 3.8Å; V50-L95 HydrophobicContact CG2-CD1 3.92Å
51S95.1Very high92Very high0 Ų035.1 Ų35.10%018%0.179CC..EExtended strand (participates in β ladder)trans-83.9130.8169.770.90000109.2F9 V56 H57 E59 R80F9-S51 VanDerWaalsContact CD2-CB 3.41Å; S51-V56 WeakPolarHBondContact O-CA 3.38Å; S51-H57 PolarHBondContact N-O 3.34Å; S51-H57 PolarHBondContact O-N 3.19Å; S51-H57 WeakPolarHBondContact OG-CB 3.41Å; S51-E59 VanDerWaalsContact CB-OE1 3.3Å; S51-E59 WeakPolarHBondContact CB-OE1 3.12Å; S51-E59 PolarHBondContact OG-OE1 3.47Å; S51-R80 PolarHBondContact OG-NH1 2.88Å; S51-R80 PolarHBondContact OG-NH2 2.96Å
52V94.5Very high92.4Very high0 Ų033 Ų330%017%0.169CC..EExtended strand (participates in β ladder)trans-126.7134.9-176.9-62.70000110.9L6 L7 F9 V50 V56 M83 A88 L110L6-V52 HydrophobicContact CB-CG1 4.27Å; L6-V52 HydrophobicContact CB-CG2 4.21Å; L6-V52 HydrophobicContact CD2-CG1 4.16Å; L7-V52 VanDerWaalsContact O-CG2 3.23Å; L7-V52 WeakPolarHBondContact O-CG2 3.3Å; L7-V52 PolarHBondContact O-N 3.42Å; F9-V52 PolarHBondContact N-O 2.81Å; V50-V52 HydrophobicContact CG1-CG1 3.83Å; V52-V56 HydrophobicContact CG1-CG1 4.25Å; V52-V56 HydrophobicContact CG1-CG2 4.17Å; V52-M83 HydrophobicContact CB-CE 3.94Å; V52-M83 HydrophobicContact CB-SD 4.12Å; V52-M83 HydrophobicContact CG2-CE 3.45Å; V52-M83 VanDerWaalsContact CG2-CE 3.45Å; V52-M83 HydrophobicContact CG2-SD 3.88Å; V52-A88 HydrophobicContact CB-CB 4.02Å; V52-A88 HydrophobicContact CG1-CB 4.03Å; V52-L110 HydrophobicContact CG2-CD1 4Å
53A91.6Very high92.9Very high0 Ų034 Ų340%018%0.176CC..SBendtrans-154.7-107.7165.600000109.8D55 R80 K82 D84A53-D55 PolarHBondContact N-O 3.3Å; A53-R80 HydrophobicContact CB-CB 3.58Å; A53-R80 HydrophobicContact CB-CG 4.21Å; A53-K82 CarbonylContact C-O 3.59Å; A53-K82 WeakPolarHBondContact CA-O 3.21Å; A53-K82 WeakPolarHBondContact CB-O 3.43Å; A53-D84 PolarHBondContact O-N 3.3Å
54E89.1Confident93.2Very high88 Ų8833.7 Ų33.741%0.41118%0.175SC..SBendtrans-87.2-21171.565.6-172.8165.600112.4K82E54-K82 HydrophobicContact CB-CG 4.05Å; E54-K82 PolarHBondContact N-O 3.38Å
55D91.2Very high93.7Very high51 Ų5135.1 Ų35.127%0.27318%0.183SC..SBendtrans-120177167.460.95.6000109.6A53 H57 R80A53-D55 PolarHBondContact N-O 3.3Å; D55-H57 IonicContact OD1-CD2 3.26Å; D55-H57 IonicContact OD1-NE2 3.82Å; D55-H57 IonicContact OD2-CD2 2.85Å; D55-H57 PolarHBondContact OD2-CD2 2.8Å; D55-H57 IonicContact OD2-CE1 3.98Å; D55-H57 IonicContact OD2-NE2 2.8Å; D55-H57 PolarHBondContact OD2-NE2 3.4Å; D55-R80 WeakPolarHBondContact OD1-CD 3.35Å; D55-R80 IonicContact OD1-CZ 3.5Å; D55-R80 VanDerWaalsContact OD1-CZ 3.26Å; D55-R80 IonicContact OD1-NE 3.46Å; D55-R80 PolarHBondContact OD1-NE 2.85Å; D55-R80 IonicContact OD1-NH1 3.99Å; D55-R80 IonicContact OD1-NH2 2.71Å; D55-R80 IonicContact OD2-NE 2.89Å; D55-R80 PolarHBondContact OD2-NE 2.78Å
56V93.1Very high93.9Very high30 Ų3036.9 Ų36.918%0.18219%0.192CC..EExtended strand (participates in β ladder)trans-134.6123.6-178.6176.50000108.2V50 S51 V52 Y87 Q91V50-V56 HydrophobicContact CG1-CG1 3.34Å; S51-V56 WeakPolarHBondContact O-CA 3.38Å; V52-V56 HydrophobicContact CG1-CG1 4.25Å; V52-V56 HydrophobicContact CG1-CG2 4.17Å; V56-Y87 HydrophobicContact CB-CE1 4.24Å; V56-Y87 HydrophobicContact CG2-CD1 3.75Å; V56-Y87 HydrophobicContact CG2-CE1 3.68Å; V56-Q91 HydrophobicContact CB-CB 4.06Å; V56-Q91 HydrophobicContact CB-CG 4.07Å; V56-Q91 HydrophobicContact CG1-CB 3.88Å; V56-Q91 HydrophobicContact CG1-CG 4.43Å; V56-Q91 HydrophobicContact CG2-CB 3.92Å; V56-Q91 HydrophobicContact CG2-CG 3.87Å
57H94.2Very high93.9Very high82 Ų8242.9 Ų42.938%0.3822%0.218SC..EExtended strand (participates in β ladder)trans-123.1130.2177.9-64.5-91.9000111.2V50 S51 D55 E59 R80V50-H57 CarbonylContact C-O 3.03Å; V50-H57 VanDerWaalsContact CA-O 3.32Å; V50-H57 WeakPolarHBondContact CA-O 3.33Å; V50-H57 WeakPolarHBondContact CG1-O 3.41Å; S51-H57 PolarHBondContact N-O 3.34Å; S51-H57 PolarHBondContact O-N 3.19Å; S51-H57 WeakPolarHBondContact OG-CB 3.41Å; D55-H57 IonicContact OD1-CD2 3.26Å; D55-H57 IonicContact OD1-NE2 3.82Å; D55-H57 IonicContact OD2-CD2 2.85Å; D55-H57 PolarHBondContact OD2-CD2 2.8Å; D55-H57 IonicContact OD2-CE1 3.98Å; D55-H57 IonicContact OD2-NE2 2.8Å; D55-H57 PolarHBondContact OD2-NE2 3.4Å; H57-E59 PolarHBondContact O-N 3.23Å; H57-R80 PolarHBondContact CD2-NH2 2.8Å
58L94.8Very high93.8Very high82 Ų8244.1 Ų44.143%0.42923%0.229SC..EExtended strand (participates in β ladder)trans-80.3102.2172.7177.160.7000108.8A48 V50 L60 P61 L95A48-L58 HydrophobicContact CB-CD1 4.49Å; V50-L58 HydrophobicContact CG2-CD1 3.8Å; L58-L60 VanDerWaalsContact CD1-O 3.24Å; L58-L60 WeakPolarHBondContact CD1-O 3.49Å; L58-P61 HydrophobicContact CD2-CB 4.38Å; L58-L95 HydrophobicContact CB-CD1 4.09Å; L58-L95 HydrophobicContact CD1-CD1 3.95Å; L58-L95 HydrophobicContact CD1-CD2 4.49Å; L58-L95 HydrophobicContact CD2-CD1 4.21Å; L58-L95 HydrophobicContact CG-CD1 4.3Å
59E94.3Very high93.7Very high60 Ų6044.1 Ų44.128%0.2823%0.229SC..EExtended strand (participates in β ladder)trans-79.1-37.5-179-57.2-62.5166.400111.5I49 S51 H57 L72 F77I49-E59 HydrophobicContact CG2-CB 4.39Å; I49-E59 PolarHBondContact O-N 2.89Å; S51-E59 VanDerWaalsContact CB-OE1 3.3Å; S51-E59 WeakPolarHBondContact CB-OE1 3.12Å; S51-E59 PolarHBondContact OG-OE1 3.47Å; H57-E59 PolarHBondContact O-N 3.23Å; E59-L72 HydrophobicContact CB-CD1 4.21Å; E59-L72 HydrophobicContact CB-CD2 3.87Å; E59-F77 HydrophobicContact CB-CE1 3.91Å; E59-F77 HydrophobicContact CB-CZ 4.34Å; E59-F77 VanDerWaalsContact CD-CE1 3.41Å; E59-F77 HydrophobicContact CG-CD1 4.06Å; E59-F77 HydrophobicContact CG-CE1 3.47Å; E59-F77 VanDerWaalsContact CG-CE1 3.47Å; E59-F77 HydrophobicContact CG-CZ 4.14Å; E59-F77 WeakPolarHBondContact OE2-CE1 3.47Å
60L95.1Very high93.5Very high25 Ų2546 Ų4613%0.13124%0.237CC..EExtended strand (participates in β ladder)trans-141.6120.1178.3-172.373.3000110.7A48 I49 L58 T63 A68 I69 L72A48-L60 WeakPolarHBondContact CA-O 3.5Å; A48-L60 WeakPolarHBondContact CB-O 3.4Å; I49-L60 HydrophobicContact CB-CB 4.2Å; I49-L60 HydrophobicContact CD1-CD2 4.36Å; I49-L60 PolarHBondContact N-O 2.98Å; I49-L60 PolarHBondContact O-N 3.44Å; I49-L60 VanDerWaalsContact O-N 3.12Å; L58-L60 VanDerWaalsContact CD1-O 3.24Å; L58-L60 WeakPolarHBondContact CD1-O 3.49Å; L60-T63 HydrophobicContact CD2-CG2 3.68Å; L60-T63 HydrophobicContact CG-CG2 4.04Å; L60-A68 HydrophobicContact CD1-CB 4.32Å; L60-I69 HydrophobicContact CD2-CB 4.36Å; L60-I69 HydrophobicContact CD2-CG1 3.55Å; L60-L72 HydrophobicContact CB-CD2 3.76Å; L60-L72 HydrophobicContact CD2-CD2 4.46Å
61P95.6Very high93.4Very high75 Ų7550.2 Ų50.249%0.48726%0.26SS..EExtended strand (participates in β ladder)trans-64.7166.4174.429.5-35.6000111.5L58 T63L58-P61 HydrophobicContact CD2-CB 4.38Å; P61-T63 PolarHBondContact O-N 3.4Å
62F95.1Very high93.2Very high34 Ų3451.9 Ų51.915%0.14927%0.269CS..EExtended strand (participates in β ladder)trans-54.1116.6179.6-73.7-75.9000111.4P2 L4 M47 A48 L95 I96 N99 W100P2-F62 HydrophobicContact CB-CD1 3.94Å; P2-F62 HydrophobicContact CB-CE1 3.64Å; P2-F62 HydrophobicContact CB-CZ 4.28Å; L4-F62 HydrophobicContact CD1-CZ 4.25Å; M47-F62 CarbonylContact O-C 3.58Å; M47-F62 WeakPolarHBondContact O-CA 3.31Å; A48-F62 HydrophobicContact CB-CB 4.48Å; A48-F62 HydrophobicContact CB-CD1 3.56Å; A48-F62 HydrophobicContact CB-CD2 4.08Å; A48-F62 HydrophobicContact CB-CE1 3.64Å; A48-F62 HydrophobicContact CB-CE2 4.17Å; A48-F62 HydrophobicContact CB-CG 3.79Å; A48-F62 HydrophobicContact CB-CZ 3.95Å; F62-L95 HydrophobicContact CE2-CD2 3.79Å; F62-L95 HydrophobicContact CZ-CD2 4.24Å; F62-I96 HydrophobicContact CZ-CG1 4.33Å; F62-N99 HydrophobicContact CD2-CB 3.71Å; F62-N99 HydrophobicContact CE2-CB 3.75Å; F62-W100 HydrophobicContact CB-CZ2 4.48Å; F62-W100 AromaticContact CD1-NE1 3.7Å; F62-W100 AromaticContact CD2-NE1 3.4Å; F62-W100 AromaticContact CE1-NE1 3.82Å; F62-W100 AromaticContact CE2-CD1 3.73Å; F62-W100 AromaticContact CE2-NE1 3.5Å; F62-W100 AromaticContact CG-NE1 3.5Å; F62-W100 AromaticContact CZ-CD1 3.93Å; F62-W100 AromaticContact CZ-NE1 3.72Å
63T93.7Very high93Very high34 Ų3452.1 Ų52.121%0.20927%0.27CS..EExtended strand (participates in β ladder)trans-137.2152.5-177.8-173.90000111.5M47 L60 P61 D65 I69M47-T63 PolarHBondContact N-O 3.04Å; M47-T63 PolarHBondContact O-N 3.48Å; L60-T63 HydrophobicContact CD2-CG2 3.68Å; L60-T63 HydrophobicContact CG-CG2 4.04Å; P61-T63 PolarHBondContact O-N 3.4Å; T63-D65 WeakPolarHBondContact OG1-CB 3.3Å; T63-D65 PolarHBondContact OG1-N 2.87Å; T63-I69 HydrophobicContact CG2-CG1 4.25Å
64Q91.1Very high92.8Very high90 Ų9058.4 Ų58.442%0.42130%0.299SS..SBendtrans-97.87.7167.4-64.9176.3-4.500111.2R39 L44 L66R39-Q64 PolarHBondContact NH1-O 3.04Å; R39-Q64 PolarHBondContact NH2-O 3.19Å; L44-Q64 PolarHBondContact O-NE2 3.35Å; Q64-L66 PolarHBondContact O-N 3.36Å
65D92.7Very high92.6Very high72 Ų7259.8 Ų59.839%0.38531%0.306SS..  trans-90.2108.6178-174.36.5000111.7T63 Q67 A68 I69T63-D65 WeakPolarHBondContact OG1-CB 3.3Å; T63-D65 PolarHBondContact OG1-N 2.87Å; D65-Q67 VanDerWaalsContact C-N 3.28Å; D65-Q67 PolarHBondContact O-N 2.89Å; D65-Q67 WeakPolarHBondContact OD1-CB 3.23Å; D65-Q67 PolarHBondContact OD1-N 3.49Å; D65-A68 HydrophobicContact CB-CB 3.96Å; D65-A68 PolarHBondContact OD2-N 2.95Å; D65-I69 WeakPolarHBondContact O-CG1 3.06Å; D65-I69 PolarHBondContact O-N 2.86Å
66L92.6Very high92Very high37 Ų3762.4 Ų62.419%0.19433%0.325CS..Hα-helixtrans-67.2-30.1175.9-17271.7000111.8A35 E36 R39 Q64 I69 H70A35-L66 HydrophobicContact CB-CD1 3.89Å; E36-L66 HydrophobicContact CG-CD2 4.4Å; R39-L66 HydrophobicContact CB-CD1 4.34Å; R39-L66 HydrophobicContact CB-CD2 4.46Å; R39-L66 HydrophobicContact CG-CD2 4.27Å; Q64-L66 PolarHBondContact O-N 3.36Å; L66-I69 PolarHBondContact O-N 2.85Å; L66-H70 PolarHBondContact O-CD2 2.88Å; L66-H70 VanDerWaalsContact O-CG 3.32Å; L66-H70 PolarHBondContact O-N 3.04Å
67Q93.8Very high91.5Very high139 Ų13962.5 Ų62.565%0.6532%0.323SS*.Hα-helixtrans-69.6-41179.8-62.2-177.2-600111.1D65 I69 H70 N71D65-Q67 VanDerWaalsContact C-N 3.28Å; D65-Q67 PolarHBondContact O-N 2.89Å; D65-Q67 WeakPolarHBondContact OD1-CB 3.23Å; D65-Q67 PolarHBondContact OD1-N 3.49Å; Q67-I69 VanDerWaalsContact C-N 3.3Å; Q67-I69 PolarHBondContact O-N 3.42Å; Q67-H70 PolarHBondContact O-N 2.71Å; Q67-N71 WeakPolarHBondContact O-CB 3.15Å; Q67-N71 PolarHBondContact O-N 3.36Å; Q67-N71 PolarHBondContact O-ND2 2.58Å
68A93.9Very high91.2Very high26 Ų2665.2 Ų65.222%0.21534%0.341CS..Hα-helixtrans-57.8-42.9173.800000112.1L60 D65 N71 L72L60-A68 HydrophobicContact CD1-CB 4.32Å; D65-A68 HydrophobicContact CB-CB 3.96Å; D65-A68 PolarHBondContact OD2-N 2.95Å; A68-N71 PolarHBondContact O-N 2.88Å; A68-L72 WeakPolarHBondContact O-CB 3.4Å; A68-L72 PolarHBondContact O-N 2.7Å
69I93.1Very high91Very high0 Ų064 Ų640%034%0.336CS..Hα-helixtrans-61.5-49.7175.5-65.8171.9000110.5A35 M47 I49 L60 T63 D65 L66 Q67 N71 L72 L73A35-I69 HydrophobicContact CB-CD1 4.37Å; A35-I69 HydrophobicContact CB-CG2 3.73Å; M47-I69 HydrophobicContact CB-CD1 3.86Å; M47-I69 HydrophobicContact CE-CD1 3.61Å; M47-I69 HydrophobicContact SD-CD1 4.14Å; I49-I69 HydrophobicContact CD1-CB 4.46Å; I49-I69 HydrophobicContact CD1-CG1 4.48Å; I49-I69 HydrophobicContact CD1-CG2 3.84Å; L60-I69 HydrophobicContact CD2-CB 4.36Å; L60-I69 HydrophobicContact CD2-CG1 3.55Å; T63-I69 HydrophobicContact CG2-CG1 4.25Å; D65-I69 WeakPolarHBondContact O-CG1 3.06Å; D65-I69 PolarHBondContact O-N 2.86Å; L66-I69 PolarHBondContact O-N 2.85Å; Q67-I69 VanDerWaalsContact C-N 3.3Å; Q67-I69 PolarHBondContact O-N 3.42Å; I69-N71 PolarHBondContact O-N 2.96Å; I69-L72 PolarHBondContact O-N 2.88Å; I69-L73 HydrophobicContact CG2-CD1 3.89Å; I69-L73 WeakPolarHBondContact O-CG 3.4Å; I69-L73 PolarHBondContact O-N 2.85Å
70H92.9Very high90.8Very high40 Ų4063 Ų6319%0.18533%0.33CS..Hα-helixtrans-61-44.3179.5-70.4-179.9000112.2E36 L66 Q67 L72 L73 Q74E36-H70 WeakPolarHBondContact CG-NE2 3.19Å; E36-H70 IonicContact OE1-CE1 3.68Å; E36-H70 PolarHBondContact OE1-CE1 3.19Å; E36-H70 IonicContact OE1-NE2 2.83Å; L66-H70 PolarHBondContact O-CD2 2.88Å; L66-H70 VanDerWaalsContact O-CG 3.32Å; L66-H70 PolarHBondContact O-N 3.04Å; Q67-H70 PolarHBondContact O-N 2.71Å; H70-L72 VanDerWaalsContact C-N 3.33Å; H70-L72 PolarHBondContact O-N 3.34Å; H70-L73 PolarHBondContact O-N 3.1Å; H70-Q74 VanDerWaalsContact O-CG 3.3Å; H70-Q74 WeakPolarHBondContact O-CG 3.21Å; H70-Q74 PolarHBondContact O-N 3.41Å
71N93.1Very high90.4Very high90 Ų9067.8 Ų67.848%0.48136%0.355SS..Hα-helixtrans-62.6-41.7178.7-69.3-17.3000111.1Q67 A68 I69 H75Q67-N71 WeakPolarHBondContact O-CB 3.15Å; Q67-N71 PolarHBondContact O-N 3.36Å; Q67-N71 PolarHBondContact O-ND2 2.58Å; A68-N71 PolarHBondContact O-N 2.88Å; I69-N71 PolarHBondContact O-N 2.96Å; N71-H75 PolarHBondContact O-CE1 2.8Å; N71-H75 PolarHBondContact O-ND1 2.83Å
72L92.5Very high90.1Very high35 Ų3568.5 Ų68.518%0.18335%0.351CS..Hα-helixtrans-62.4-50.7177-173.185.6000111.3I49 E59 L60 A68 I69 H70 Q74 H75 F77I49-L72 HydrophobicContact CB-CD2 3.89Å; I49-L72 HydrophobicContact CD1-CD2 3.67Å; I49-L72 HydrophobicContact CG1-CD2 4.36Å; I49-L72 HydrophobicContact CG2-CD2 3.92Å; E59-L72 HydrophobicContact CB-CD1 4.21Å; E59-L72 HydrophobicContact CB-CD2 3.87Å; L60-L72 HydrophobicContact CB-CD2 3.76Å; L60-L72 HydrophobicContact CD2-CD2 4.46Å; A68-L72 WeakPolarHBondContact O-CB 3.4Å; A68-L72 PolarHBondContact O-N 2.7Å; I69-L72 PolarHBondContact O-N 2.88Å; H70-L72 VanDerWaalsContact C-N 3.33Å; H70-L72 PolarHBondContact O-N 3.34Å; L72-Q74 PolarHBondContact O-N 3.26Å; L72-H75 PolarHBondContact O-N 3.23Å; L72-H75 VanDerWaalsContact O-N 3.07Å; L72-F77 HydrophobicContact CD1-CE1 4.41Å; L72-F77 HydrophobicContact CD1-CZ 4.3Å; L72-F77 HydrophobicContact CD2-CZ 3.99Å; L72-F77 HydrophobicContact CG-CE1 4.38Å; L72-F77 HydrophobicContact CG-CZ 3.79Å
73L90.1Very high89.8Confident4 Ų467 Ų672%0.02134%0.344CS..Hα-helixtrans-67.8-16.3-175.6-67.2175.7000113.8L7 R28 T32 I49 I69 H70 H75L7-L73 HydrophobicContact CD1-CD2 3.75Å; R28-L73 WeakPolarHBondContact CD-O 3.39Å; R28-L73 VanDerWaalsContact CG-O 3.27Å; R28-L73 WeakPolarHBondContact CG-O 3.11Å; R28-L73 PolarHBondContact NE-O 2.82Å; T32-L73 WeakPolarHBondContact OG1-CD1 3.32Å; I49-L73 HydrophobicContact CD1-CD1 4.24Å; I49-L73 HydrophobicContact CD1-CD2 3.95Å; I49-L73 HydrophobicContact CD1-CG 3.99Å; I69-L73 HydrophobicContact CG2-CD1 3.89Å; I69-L73 WeakPolarHBondContact O-CG 3.4Å; I69-L73 PolarHBondContact O-N 2.85Å; H70-L73 PolarHBondContact O-N 3.1Å; L73-H75 VanDerWaalsContact C-N 3.32Å
74Q87.6Confident89.7Confident133 Ų13366 Ų6662%0.62134%0.337SS*.Hα-helixtrans-72.2-24.7172.7-76.6173.43.600113.2H70 L72H70-Q74 VanDerWaalsContact O-CG 3.3Å; H70-Q74 WeakPolarHBondContact O-CG 3.21Å; H70-Q74 PolarHBondContact O-N 3.41Å; L72-Q74 PolarHBondContact O-N 3.26Å
75H85.2Confident89.6Confident117 Ų11761.7 Ų61.754%0.54232%0.317SS..SBendtrans-86.5138.2-178.7-63.978.9000110.4N71 L72 L73N71-H75 PolarHBondContact O-CE1 2.8Å; N71-H75 PolarHBondContact O-ND1 2.83Å; L72-H75 PolarHBondContact O-N 3.23Å; L72-H75 VanDerWaalsContact O-N 3.07Å; L73-H75 VanDerWaalsContact C-N 3.32Å
76P78.1Confident89.5Confident105 Ų10558.8 Ų58.868%0.68230%0.302SS*.PPolyproline II helixtrans-68.5138.8171.429.5-32.8000110.2
77F83.1Confident89.4Confident32 Ų3261.3 Ų61.314%0.1431%0.31CS..PPolyproline II helixtrans-98.6155.6170.8-60.3-89000110.2F9 E59 L72 V79F9-F77 HydrophobicContact CD1-CB 3.82Å; F9-F77 HydrophobicContact CD2-CB 4.32Å; F9-F77 HydrophobicContact CE1-CB 3.62Å; F9-F77 AromaticContact CE1-CD2 3.6Å; F9-F77 HydrophobicContact CE1-CD2 3.6Å; F9-F77 AromaticContact CE1-CG 3.98Å; F9-F77 HydrophobicContact CE1-CG 3.98Å; F9-F77 HydrophobicContact CE2-CB 4.05Å; F9-F77 AromaticContact CE2-CD2 3.78Å; F9-F77 HydrophobicContact CE2-CD2 3.78Å; F9-F77 HydrophobicContact CE2-CE2 4.31Å; F9-F77 AromaticContact CE2-CG 3.93Å; F9-F77 HydrophobicContact CE2-CG 3.93Å; F9-F77 HydrophobicContact CG-CB 4.18Å; F9-F77 HydrophobicContact CZ-CB 3.73Å; F9-F77 AromaticContact CZ-CD2 3.09Å; F9-F77 HydrophobicContact CZ-CD2 3.09Å; F9-F77 AromaticContact CZ-CE2 3.76Å; F9-F77 HydrophobicContact CZ-CE2 3.76Å; F9-F77 AromaticContact CZ-CG 3.6Å; F9-F77 HydrophobicContact CZ-CG 3.6Å; E59-F77 HydrophobicContact CB-CE1 3.91Å; E59-F77 HydrophobicContact CB-CZ 4.34Å; E59-F77 VanDerWaalsContact CD-CE1 3.41Å; E59-F77 HydrophobicContact CG-CD1 4.06Å; E59-F77 HydrophobicContact CG-CE1 3.47Å; E59-F77 VanDerWaalsContact CG-CE1 3.47Å; E59-F77 HydrophobicContact CG-CZ 4.14Å; E59-F77 WeakPolarHBondContact OE2-CE1 3.47Å; L72-F77 HydrophobicContact CD1-CE1 4.41Å; L72-F77 HydrophobicContact CD1-CZ 4.3Å; L72-F77 HydrophobicContact CD2-CZ 3.99Å; L72-F77 HydrophobicContact CG-CE1 4.38Å; L72-F77 HydrophobicContact CG-CZ 3.79Å; F77-V79 PolarHBondContact O-N 2.96Å
78D87Confident89.4Confident140 Ų14054.7 Ų54.775%0.74928%0.279SS*.PPolyproline II helixtrans-70.1127.5178.1-67.9-32.9000111.1
79V89.5Confident89.4Confident56 Ų5653.7 Ų53.734%0.33927%0.27SS..PPolyproline II helixtrans-83136.3178.1-1800000110.2F9 L11 L14 L24 F77F9-V79 CarbonylContact O-C 3.6Å; F9-V79 WeakPolarHBondContact O-CA 3.47Å; L11-V79 HydrophobicContact CB-CG1 4.39Å; L14-V79 HydrophobicContact CD1-CB 4.47Å; L14-V79 HydrophobicContact CD1-CG1 3.98Å; L14-V79 HydrophobicContact CD1-CG2 4.4Å; L14-V79 HydrophobicContact CD2-CG2 4.26Å; L14-V79 HydrophobicContact CG-CG1 4.28Å; L14-V79 HydrophobicContact CG-CG2 4.37Å; L24-V79 HydrophobicContact CD1-CG2 3.79Å; F77-V79 PolarHBondContact O-N 2.96Å
80R90.4Very high89.4Confident38 Ų3855 Ų5514%0.14328%0.276CS..BIsolated β-bridgetrans-113.6170.6-176-57.3176.3-173.2107-1.3111F9 S10 L11 S51 A53 D55 H57F9-R80 PolarHBondContact O-N 3.14Å; S10-R80 CarbonylContact C-O 3.42Å; S10-R80 WeakPolarHBondContact CA-O 3.28Å; L11-R80 PolarHBondContact N-O 3.45Å; S51-R80 PolarHBondContact OG-NH1 2.88Å; S51-R80 PolarHBondContact OG-NH2 2.96Å; A53-R80 HydrophobicContact CB-CB 3.58Å; A53-R80 HydrophobicContact CB-CG 4.21Å; D55-R80 WeakPolarHBondContact OD1-CD 3.35Å; D55-R80 IonicContact OD1-CZ 3.5Å; D55-R80 VanDerWaalsContact OD1-CZ 3.26Å; D55-R80 IonicContact OD1-NE 3.46Å; D55-R80 PolarHBondContact OD1-NE 2.85Å; D55-R80 IonicContact OD1-NH1 3.99Å; D55-R80 IonicContact OD1-NH2 2.71Å; D55-R80 IonicContact OD2-NE 2.89Å; D55-R80 PolarHBondContact OD2-NE 2.78Å; H57-R80 PolarHBondContact CD2-NH2 2.8Å
81L87.8Confident89.5Confident127 Ų12755 Ų5567%0.66528%0.276SS*.SBendtrans-70-47.1-166-68.5173.7000114.3
82K88.6Confident89.5Confident89 Ų8950.7 Ų50.739%0.38725%0.254SS..  trans-145153.9-170.961.7175.9-179.7170.40111A53 E54 S119A53-K82 CarbonylContact C-O 3.59Å; A53-K82 WeakPolarHBondContact CA-O 3.21Å; A53-K82 WeakPolarHBondContact CB-O 3.43Å; E54-K82 HydrophobicContact CB-CG 4.05Å; E54-K82 PolarHBondContact N-O 3.38Å; K82-S119 PolarHBondContact NZ-OG 2.93Å
83M89.9Confident89.6Confident2 Ų249.1 Ų49.11%0.0125%0.246CC..  trans-97.7128.2173.1178.158.4-177.900110.8V52 Y85 A88 L110 G116 R117V52-M83 HydrophobicContact CB-CE 3.94Å; V52-M83 HydrophobicContact CB-SD 4.12Å; V52-M83 HydrophobicContact CG2-CE 3.45Å; V52-M83 VanDerWaalsContact CG2-CE 3.45Å; V52-M83 HydrophobicContact CG2-SD 3.88Å; M83-Y85 HydrophobicContact CE-CD1 3.5Å; M83-Y85 HydrophobicContact CE-CE1 3.74Å; M83-Y85 HydrophobicContact CG-CD1 3.85Å; M83-Y85 HydrophobicContact CG-CE1 3.47Å; M83-Y85 VanDerWaalsContact CG-CE1 3.47Å; M83-Y85 HydrophobicContact SD-CE1 4.49Å; M83-A88 HydrophobicContact CE-CB 3.58Å; M83-L110 HydrophobicContact CE-CD1 4.21Å; M83-G116 CarbonylContact O-C 3.52Å; M83-G116 WeakPolarHBondContact O-CA 3.36Å; M83-R117 PolarHBondContact O-N 3.42Å; M83-R117 VanDerWaalsContact O-O 3.12Å
84D90.2Very high89.8Confident13 Ų1355.4 Ų55.47%0.0727%0.269CS..  trans-110.2103169.2-169.2-28.3000111.3A53 V86 Y87 A88 R117 S119A53-D84 PolarHBondContact O-N 3.3Å; D84-V86 VanDerWaalsContact C-N 3.33Å; D84-V86 PolarHBondContact O-N 3.5Å; D84-V86 WeakPolarHBondContact OD1-CB 3.22Å; D84-V86 PolarHBondContact OD1-N 3.41Å; D84-Y87 PolarHBondContact OD1-N 3.5Å; D84-Y87 VanDerWaalsContact OD1-N 3.15Å; D84-A88 VanDerWaalsContact O-CB 3.23Å; D84-A88 WeakPolarHBondContact O-CB 3.47Å; D84-A88 PolarHBondContact O-N 3.49Å; D84-R117 WeakPolarHBondContact CA-O 3.45Å; D84-S119 WeakPolarHBondContact OD2-CB 3.27Å; D84-S119 PolarHBondContact OD2-N 2.84Å
85Y90.2Very high90.1Very high0 Ų050.3 Ų50.30%025%0.246CC..Hα-helixtrans-66-32180-62.1-55.6000114.1M83 V89 L110 T112 A114 S115 G116 L163M83-Y85 HydrophobicContact CE-CD1 3.5Å; M83-Y85 HydrophobicContact CE-CE1 3.74Å; M83-Y85 HydrophobicContact CG-CD1 3.85Å; M83-Y85 HydrophobicContact CG-CE1 3.47Å; M83-Y85 VanDerWaalsContact CG-CE1 3.47Å; M83-Y85 HydrophobicContact SD-CE1 4.49Å; Y85-V89 WeakPolarHBondContact O-CB 3.47Å; Y85-V89 VanDerWaalsContact O-CG2 3.28Å; Y85-V89 WeakPolarHBondContact O-CG2 3.28Å; Y85-V89 PolarHBondContact O-N 3.13Å; Y85-V89 VanDerWaalsContact O-N 3.08Å; Y85-L110 HydrophobicContact CD1-CD2 4.08Å; Y85-L110 HydrophobicContact CE1-CD2 4.2Å; Y85-T112 HydrophobicContact CE1-CG2 4.1Å; Y85-T112 WeakPolarHBondContact CE1-OG1 3.35Å; Y85-T112 PolarHBondContact OH-OG1 2.9Å; Y85-A114 VanDerWaalsContact OH-C 3.26Å; Y85-A114 WeakPolarHBondContact OH-CA 3.26Å; Y85-A114 PolarHBondContact OH-N 3.31Å; Y85-S115 PolarHBondContact OH-N 3.47Å; Y85-G116 PolarHBondContact OH-N 3.35Å; Y85-L163 HydrophobicContact CD1-CD2 3.64Å; Y85-L163 HydrophobicContact CD2-CD2 3.93Å; Y85-L163 HydrophobicContact CD2-CG 4.18Å; Y85-L163 HydrophobicContact CE1-CD1 4.49Å; Y85-L163 HydrophobicContact CE1-CD2 3.97Å; Y85-L163 HydrophobicContact CE2-CD1 4.21Å; Y85-L163 HydrophobicContact CE2-CD2 4.22Å; Y85-L163 HydrophobicContact CE2-CG 4.2Å; Y85-L163 HydrophobicContact CG-CD2 3.64Å; Y85-L163 HydrophobicContact CG-CG 4.39Å
86V90.2Very high90.6Very high12 Ų1244.7 Ų44.77%0.07322%0.22CC..Hα-helixtrans-68.7-49.5-178.6174.90000108.5D84 E90 L131 P132 L135 I162D84-V86 VanDerWaalsContact C-N 3.33Å; D84-V86 PolarHBondContact O-N 3.5Å; D84-V86 WeakPolarHBondContact OD1-CB 3.22Å; D84-V86 PolarHBondContact OD1-N 3.41Å; V86-E90 WeakPolarHBondContact O-CB 3.33Å; V86-E90 PolarHBondContact O-N 3.01Å; V86-L131 HydrophobicContact CG2-CD2 4.05Å; V86-P132 HydrophobicContact CG1-CG 3.95Å; V86-L135 HydrophobicContact CB-CD2 4.44Å; V86-L135 HydrophobicContact CG1-CD2 3.8Å; V86-I162 HydrophobicContact CG2-CG2 4.32Å
87Y91.3Very high91.2Very high89 Ų8943 Ų4335%0.34920%0.2SC..Hα-helixtrans-64.5-45.5178-173.9-109.9000111.9V56 D84 V89 E90 Q91V56-Y87 HydrophobicContact CB-CE1 4.24Å; V56-Y87 HydrophobicContact CG2-CD1 3.75Å; V56-Y87 HydrophobicContact CG2-CE1 3.68Å; D84-Y87 PolarHBondContact OD1-N 3.5Å; D84-Y87 VanDerWaalsContact OD1-N 3.15Å; Y87-V89 PolarHBondContact O-N 2.71Å; Y87-E90 PolarHBondContact O-N 2.84Å; Y87-Q91 HydrophobicContact CD1-CG 4.23Å; Y87-Q91 HydrophobicContact CD2-CG 4.31Å; Y87-Q91 HydrophobicContact CE1-CG 3.83Å; Y87-Q91 HydrophobicContact CE2-CG 3.94Å; Y87-Q91 VanDerWaalsContact CE2-NE2 3.26Å; Y87-Q91 HydrophobicContact CG-CG 4.45Å; Y87-Q91 WeakPolarHBondContact O-CG 3.34Å; Y87-Q91 PolarHBondContact O-N 3.32Å
88A93Very high91.7Very high1 Ų145.7 Ų45.71%0.00822%0.223CC..Hα-helixtrans-58.1-45.9179.100000112.6V52 M83 D84 A92V52-A88 HydrophobicContact CB-CB 4.02Å; V52-A88 HydrophobicContact CG1-CB 4.03Å; M83-A88 HydrophobicContact CE-CB 3.58Å; D84-A88 VanDerWaalsContact O-CB 3.23Å; D84-A88 WeakPolarHBondContact O-CB 3.47Å; D84-A88 PolarHBondContact O-N 3.49Å; A88-A92 VanDerWaalsContact O-CB 3.27Å; A88-A92 WeakPolarHBondContact O-CB 3.13Å; A88-A92 PolarHBondContact O-N 2.86Å
89V93.2Very high92Very high5 Ų542.9 Ų42.93%0.0321%0.208CC..Hα-helixtrans-69.2-40179.1171.80000111.5Y85 Y87 A92 I93 L135 L139 F146 I166Y85-V89 WeakPolarHBondContact O-CB 3.47Å; Y85-V89 VanDerWaalsContact O-CG2 3.28Å; Y85-V89 WeakPolarHBondContact O-CG2 3.28Å; Y85-V89 PolarHBondContact O-N 3.13Å; Y85-V89 VanDerWaalsContact O-N 3.08Å; Y87-V89 PolarHBondContact O-N 2.71Å; V89-A92 WeakPolarHBondContact O-CB 3.41Å; V89-A92 PolarHBondContact O-N 2.91Å; V89-I93 HydrophobicContact CG1-CD1 4Å; V89-I93 HydrophobicContact CG1-CG1 4.5Å; V89-I93 VanDerWaalsContact O-CG1 3.28Å; V89-I93 WeakPolarHBondContact O-CG1 3.35Å; V89-I93 PolarHBondContact O-N 2.99Å; V89-L135 HydrophobicContact CG1-CD1 4.21Å; V89-L139 HydrophobicContact CG1-CD2 3.95Å; V89-F146 HydrophobicContact CG1-CE1 3.9Å; V89-F146 HydrophobicContact CG1-CZ 3.94Å; V89-F146 HydrophobicContact CG2-CE1 4.42Å; V89-I166 HydrophobicContact CG1-CG2 4.37Å; V89-I166 HydrophobicContact CG2-CD1 4.08Å; V89-I166 HydrophobicContact CG2-CG2 4.42Å
90E93.5Very high92.1Very high26 Ų2643.8 Ų43.812%0.12121%0.205CC..Hα-helixtrans-61.2-46.6176.3-170.4-175.5-176.600111.7V86 Y87 I93 R94 H134 L135V86-E90 WeakPolarHBondContact O-CB 3.33Å; V86-E90 PolarHBondContact O-N 3.01Å; Y87-E90 PolarHBondContact O-N 2.84Å; E90-I93 PolarHBondContact O-N 3.28Å; E90-R94 WeakPolarHBondContact O-CG 3.2Å; E90-R94 PolarHBondContact O-N 3.48Å; E90-R94 IonicContact OE1-CZ 3.6Å; E90-R94 VanDerWaalsContact OE1-CZ 3.28Å; E90-R94 IonicContact OE1-NE 3.66Å; E90-R94 PolarHBondContact OE1-NE 3.01Å; E90-R94 IonicContact OE1-NH2 3.67Å; E90-R94 PolarHBondContact OE1-NH2 3.2Å; E90-H134 IonicContact OE1-CD2 3.62Å; E90-H134 IonicContact OE1-NE2 2.77Å; E90-H134 IonicContact OE2-NE2 2.65Å; E90-L135 HydrophobicContact CB-CD1 4.37Å
91Q94.3Very high92Very high40 Ų4045.7 Ų45.719%0.18722%0.223CC..Hα-helixtrans-65.8-38.3176.9-64.8-48.7-42.300112.1V56 Y87 I93 R94 L95V56-Q91 HydrophobicContact CB-CB 4.06Å; V56-Q91 HydrophobicContact CB-CG 4.07Å; V56-Q91 HydrophobicContact CG1-CB 3.88Å; V56-Q91 HydrophobicContact CG1-CG 4.43Å; V56-Q91 HydrophobicContact CG2-CB 3.92Å; V56-Q91 HydrophobicContact CG2-CG 3.87Å; Y87-Q91 HydrophobicContact CD1-CG 4.23Å; Y87-Q91 HydrophobicContact CD2-CG 4.31Å; Y87-Q91 HydrophobicContact CE1-CG 3.83Å; Y87-Q91 HydrophobicContact CE2-CG 3.94Å; Y87-Q91 VanDerWaalsContact CE2-NE2 3.26Å; Y87-Q91 HydrophobicContact CG-CG 4.45Å; Y87-Q91 WeakPolarHBondContact O-CG 3.34Å; Y87-Q91 PolarHBondContact O-N 3.32Å; Q91-I93 VanDerWaalsContact C-N 3.34Å; Q91-I93 PolarHBondContact O-N 2.7Å; Q91-R94 PolarHBondContact O-N 2.7Å; Q91-L95 VanDerWaalsContact O-CB 3.27Å; Q91-L95 WeakPolarHBondContact O-CB 3.47Å; Q91-L95 PolarHBondContact O-N 3.42Å
92A94.8Very high91.8Very high1 Ų143.4 Ų43.41%0.00822%0.218CC..Hα-helixtrans-57.8-45.5174.600000112L4 L6 A88 V89 L95 I96L4-A92 HydrophobicContact CD2-CB 3.66Å; L6-A92 HydrophobicContact CD1-CB 3.89Å; L6-A92 HydrophobicContact CD2-CB 4.1Å; A88-A92 VanDerWaalsContact O-CB 3.27Å; A88-A92 WeakPolarHBondContact O-CB 3.13Å; A88-A92 PolarHBondContact O-N 2.86Å; V89-A92 WeakPolarHBondContact O-CB 3.41Å; V89-A92 PolarHBondContact O-N 2.91Å; A92-L95 PolarHBondContact O-N 3.4Å; A92-I96 WeakPolarHBondContact O-CG1 3.28Å; A92-I96 PolarHBondContact O-N 3.38Å
93I94.1Very high91.5Very high2 Ų244.4 Ų44.41%0.0123%0.227CC..Hα-helixtrans-62.7-46.2176.6-65.3167.6000110.7V89 E90 Q91 L95 I96 Y97 L135 L138 L139 I144 F146V89-I93 HydrophobicContact CG1-CD1 4Å; V89-I93 HydrophobicContact CG1-CG1 4.5Å; V89-I93 VanDerWaalsContact O-CG1 3.28Å; V89-I93 WeakPolarHBondContact O-CG1 3.35Å; V89-I93 PolarHBondContact O-N 2.99Å; E90-I93 PolarHBondContact O-N 3.28Å; Q91-I93 VanDerWaalsContact C-N 3.34Å; Q91-I93 PolarHBondContact O-N 2.7Å; I93-L95 VanDerWaalsContact C-N 3.34Å; I93-L95 PolarHBondContact O-N 3.15Å; I93-I96 PolarHBondContact O-N 3.39Å; I93-Y97 HydrophobicContact CG2-CD2 3.74Å; I93-Y97 HydrophobicContact CG2-CE2 3.61Å; I93-Y97 PolarHBondContact O-N 3.39Å; I93-L135 HydrophobicContact CD1-CD1 4.12Å; I93-L138 HydrophobicContact CD1-CB 4.21Å; I93-L139 HydrophobicContact CD1-CD2 4.01Å; I93-I144 HydrophobicContact CB-CD1 4.26Å; I93-I144 HydrophobicContact CG1-CD1 3.83Å; I93-I144 HydrophobicContact CG2-CD1 4.27Å; I93-F146 HydrophobicContact CD1-CZ 4.38Å; I93-F146 HydrophobicContact CG1-CZ 4.13Å
94R94Very high91.3Very high135 Ų13545.9 Ų45.951%0.50924%0.236SC..Hα-helixtrans-60.7-43.3178.4-71.8175.9-179-169.32111.9E90 Q91 Y97 S98E90-R94 WeakPolarHBondContact O-CG 3.2Å; E90-R94 PolarHBondContact O-N 3.48Å; E90-R94 IonicContact OE1-CZ 3.6Å; E90-R94 VanDerWaalsContact OE1-CZ 3.28Å; E90-R94 IonicContact OE1-NE 3.66Å; E90-R94 PolarHBondContact OE1-NE 3.01Å; E90-R94 IonicContact OE1-NH2 3.67Å; E90-R94 PolarHBondContact OE1-NH2 3.2Å; Q91-R94 PolarHBondContact O-N 2.7Å; R94-Y97 PolarHBondContact O-N 3.4Å; R94-S98 WeakPolarHBondContact O-CB 3.29Å; R94-S98 PolarHBondContact O-N 3.45Å; R94-S98 PolarHBondContact O-OG 3.15Å
95L94.5Very high91.1Very high26 Ų2646.9 Ų46.914%0.13624%0.242CC..Hα-helixtrans-67-38.8179.6-169.9151.1000112L4 V50 L58 F62 Q91 A92 I93 S98 N99L4-L95 HydrophobicContact CD1-CD2 3.81Å; L4-L95 HydrophobicContact CD2-CD2 4.46Å; V50-L95 HydrophobicContact CG2-CD1 3.92Å; L58-L95 HydrophobicContact CB-CD1 4.09Å; L58-L95 HydrophobicContact CD1-CD1 3.95Å; L58-L95 HydrophobicContact CD1-CD2 4.49Å; L58-L95 HydrophobicContact CD2-CD1 4.21Å; L58-L95 HydrophobicContact CG-CD1 4.3Å; F62-L95 HydrophobicContact CE2-CD2 3.79Å; F62-L95 HydrophobicContact CZ-CD2 4.24Å; Q91-L95 VanDerWaalsContact O-CB 3.27Å; Q91-L95 WeakPolarHBondContact O-CB 3.47Å; Q91-L95 PolarHBondContact O-N 3.42Å; A92-L95 PolarHBondContact O-N 3.4Å; I93-L95 VanDerWaalsContact C-N 3.34Å; I93-L95 PolarHBondContact O-N 3.15Å; L95-S98 PolarHBondContact O-OG 2.88Å; L95-N99 PolarHBondContact O-N 2.67Å; L95-N99 PolarHBondContact O-ND2 3.27Å
96I94.1Very high91.2Very high0 Ų047 Ų470%024%0.242CC..Hα-helixtrans-62.1-49.4173.3-73.6165.7000109.8L4 F62 A92 I93 S98 N99 W100 C106 I144L4-I96 HydrophobicContact CB-CD1 4.17Å; L4-I96 HydrophobicContact CB-CG1 4.35Å; L4-I96 HydrophobicContact CD2-CD1 3.96Å; L4-I96 HydrophobicContact CD2-CG1 4Å; F62-I96 HydrophobicContact CZ-CG1 4.33Å; A92-I96 WeakPolarHBondContact O-CG1 3.28Å; A92-I96 PolarHBondContact O-N 3.38Å; I93-I96 PolarHBondContact O-N 3.39Å; I96-S98 VanDerWaalsContact C-N 3.32Å; I96-S98 PolarHBondContact O-N 3.05Å; I96-N99 PolarHBondContact O-N 3.14Å; I96-N99 VanDerWaalsContact O-N 3.14Å; I96-W100 PolarHBondContact O-N 3Å; I96-C106 HydrophobicContact CD1-CB 4.28Å; I96-C106 HydrophobicContact CG2-CB 3.88Å; I96-C106 WeakPolarHBondContact CG2-SG 3.28Å; I96-I144 HydrophobicContact CB-CD1 4.33Å; I96-I144 HydrophobicContact CD1-CD1 3.68Å; I96-I144 HydrophobicContact CD1-CG1 4.06Å; I96-I144 HydrophobicContact CD1-CG2 4.16Å; I96-I144 HydrophobicContact CG2-CD1 4.21Å; I96-I144 HydrophobicContact CG2-CG1 4.4Å
97Y92Very high91.4Very high69 Ų6946.9 Ų46.927%0.27124%0.24SC..Hα-helixtrans-75.6-14.6-177.5-66.6-28.4000115.6I93 R94 N99 C142 N143I93-Y97 HydrophobicContact CG2-CD2 3.74Å; I93-Y97 HydrophobicContact CG2-CE2 3.61Å; I93-Y97 PolarHBondContact O-N 3.39Å; R94-Y97 PolarHBondContact O-N 3.4Å; Y97-N99 VanDerWaalsContact C-N 3.34Å; Y97-C142 HydrophobicContact CE2-CB 4.42Å; Y97-C142 WeakPolarHBondContact OH-CA 3.14Å; Y97-C142 VanDerWaalsContact OH-CB 3.25Å; Y97-C142 WeakPolarHBondContact OH-CB 3.37Å; Y97-N143 PolarHBondContact OH-N 2.63Å; Y97-N143 VanDerWaalsContact OH-N 3.12Å
98S93.5Very high91.6Very high89 Ų8942.7 Ų42.762%0.62222%0.224SC*.Hα-helixtrans-76-24.1167.967.90000112.7R94 L95 I96R94-S98 WeakPolarHBondContact O-CB 3.29Å; R94-S98 PolarHBondContact O-N 3.45Å; R94-S98 PolarHBondContact O-OG 3.15Å; L95-S98 PolarHBondContact O-OG 2.88Å; I96-S98 VanDerWaalsContact C-N 3.32Å; I96-S98 PolarHBondContact O-N 3.05Å
99N93.1Very high91.8Very high80 Ų8042.6 Ų42.643%0.42822%0.224SC..Hα-helixtrans-106.3-28.8-176.4-72.6-85.7000113.3F62 L95 I96 Y97F62-N99 HydrophobicContact CD2-CB 3.71Å; F62-N99 HydrophobicContact CE2-CB 3.75Å; L95-N99 PolarHBondContact O-N 2.67Å; L95-N99 PolarHBondContact O-ND2 3.27Å; I96-N99 PolarHBondContact O-N 3.14Å; I96-N99 VanDerWaalsContact O-N 3.14Å; Y97-N99 VanDerWaalsContact C-N 3.34Å
100W91.3Very high91.9Very high75 Ų7542.7 Ų42.728%0.28422%0.224SC..SBendtrans-130.6141.9-173.4-60.997.5000111.7P2 F62 I96P2-W100 HydrophobicContact CB-CD2 4.05Å; P2-W100 HydrophobicContact CB-CG 4.18Å; P2-W100 HydrophobicContact CB-CZ2 3.96Å; P2-W100 VanDerWaalsContact CB-NE1 3.27Å; P2-W100 HydrophobicContact CG-CB 4.49Å; P2-W100 HydrophobicContact CG-CD2 3.84Å; P2-W100 HydrophobicContact CG-CG 3.75Å; F62-W100 HydrophobicContact CB-CZ2 4.48Å; F62-W100 AromaticContact CD1-NE1 3.7Å; F62-W100 AromaticContact CD2-NE1 3.4Å; F62-W100 AromaticContact CE1-NE1 3.82Å; F62-W100 AromaticContact CE2-CD1 3.73Å; F62-W100 AromaticContact CE2-NE1 3.5Å; F62-W100 AromaticContact CG-NE1 3.5Å; F62-W100 AromaticContact CZ-CD1 3.93Å; F62-W100 AromaticContact CZ-NE1 3.72Å; I96-W100 PolarHBondContact O-N 3Å
101P88.1Confident92Very high79 Ų7941.4 Ų41.451%0.51322%0.218SC..  trans-56.5145.1173-26.936.5000112.3N103 T104P101-N103 WeakPolarHBondContact CB-OD1 3.46Å; P101-N103 PolarHBondContact O-N 2.97Å; P101-N103 VanDerWaalsContact O-N 3.07Å; P101-T104 VanDerWaalsContact O-CB 3.27Å; P101-T104 WeakPolarHBondContact O-CB 3.07Å; P101-T104 PolarHBondContact O-N 3Å; P101-T104 PolarHBondContact O-OG1 2.92Å; P101-T104 VanDerWaalsContact O-OG1 3.11Å
102S84.5Confident91.9Very high79 Ų7939.5 Ų39.555%0.55221%0.209SC*.THydrogen-bonded Turntrans-62-20.2-17557.20000115T104 N143S102-T104 VanDerWaalsContact C-N 3.31Å; S102-N143 PolarHBondContact O-ND2 3.09Å
103N81.4Confident91.6Very high109 Ų10940 Ų4058%0.58321%0.212SC*.THydrogen-bonded Turntrans-82-5.9174.766.6-21000113.8P101 L105P101-N103 WeakPolarHBondContact CB-OD1 3.46Å; P101-N103 PolarHBondContact O-N 2.97Å; P101-N103 VanDerWaalsContact O-N 3.07Å; N103-L105 PolarHBondContact O-N 3.34Å
104T85.5Confident91.2Very high34 Ų3440.2 Ų40.221%0.20921%0.213CC..SBendtrans-78.1122176.3-52.70000108.8P2 P101 S102 C106P2-T104 HydrophobicContact CG-CG2 4.18Å; P101-T104 VanDerWaalsContact O-CB 3.27Å; P101-T104 WeakPolarHBondContact O-CB 3.07Å; P101-T104 PolarHBondContact O-N 3Å; P101-T104 PolarHBondContact O-OG1 2.92Å; P101-T104 VanDerWaalsContact O-OG1 3.11Å; S102-T104 VanDerWaalsContact C-N 3.31Å; T104-C106 PolarHBondContact O-N 3.04Å; T104-C106 PolarHBondContact O-SG 2.94Å
105L87.2Confident90.8Very high34 Ų3435.4 Ų35.418%0.17820%0.2CC..  trans-68.2123.2169.7-177.268.9000108.5M1 N103 N143 V145 W172M1-L105 HydrophobicContact CE-CB 3.66Å; M1-L105 HydrophobicContact CE-CD2 3.49Å; M1-L105 VanDerWaalsContact CE-CD2 3.49Å; M1-L105 HydrophobicContact CE-CG 3.39Å; M1-L105 WeakPolarHBondContact CE-O 3.44Å; N103-L105 PolarHBondContact O-N 3.34Å; L105-N143 CarbonylContact C-O 3.56Å; L105-N143 WeakPolarHBondContact CA-O 3.35Å; L105-V145 HydrophobicContact CD1-CG2 3.92Å; L105-W172 HydrophobicContact CD1-CD2 3.86Å; L105-W172 HydrophobicContact CD1-CE3 4.31Å; L105-W172 HydrophobicContact CD1-CG 4.15Å; L105-W172 HydrophobicContact CD1-CZ2 4.2Å
106C92Very high90Very high1 Ų134.3 Ų34.31%0.00720%0.195CC..EExtended strand (participates in β ladder)trans-120.3158.4-177.9-520000109.8P2 I96 T104 N143 I144 V145P2-C106 HydrophobicContact CG-CB 3.93Å; P2-C106 WeakPolarHBondContact CG-SG 3.38Å; P2-C106 WeakPolarHBondContact O-CA 3.43Å; I96-C106 HydrophobicContact CD1-CB 4.28Å; I96-C106 HydrophobicContact CG2-CB 3.88Å; I96-C106 WeakPolarHBondContact CG2-SG 3.28Å; T104-C106 PolarHBondContact O-N 3.04Å; T104-C106 PolarHBondContact O-SG 2.94Å; C106-N143 PolarHBondContact N-O 2.94Å; C106-I144 HydrophobicContact CB-CG1 4.17Å; C106-I144 CarbonylContact O-C 3.55Å; C106-I144 WeakPolarHBondContact O-CA 3.37Å; C106-V145 PolarHBondContact O-N 3.28Å
107R94Very high89Confident10 Ų1043 Ų434%0.03823%0.228CC..EExtended strand (participates in β ladder)trans-117.7138.5174.1-63-175.8-178.191.60.6110M1 P2 T3 L4 E45 V145 E198 Y199M1-R107 HydrophobicContact CE-CG 4.49Å; M1-R107 PolarHBondContact SD-NH1 3.4Å; P2-R107 PolarHBondContact O-N 3.27Å; T3-R107 CarbonylContact C-O 3.52Å; T3-R107 WeakPolarHBondContact CA-O 3.5Å; T3-R107 HydrophobicContact CG2-CB 4.47Å; L4-R107 PolarHBondContact N-O 3.33Å; E45-R107 IonicContact OE1-NH1 2.88Å; R107-V145 CarbonylContact C-O 3.58Å; R107-V145 WeakPolarHBondContact CA-O 3.44Å; R107-V145 HydrophobicContact CG-CB 4.39Å; R107-E198 IonicContact CZ-OE2 2.6Å; R107-E198 IonicContact NE-OE2 3.28Å; R107-E198 PolarHBondContact NE-OE2 3.01Å; R107-E198 PolarHBondContact NH2-O 3.08Å; R107-E198 IonicContact NH2-OE2 2.78Å; R107-Y199 VanDerWaalsContact CD-CZ 3.45Å; R107-Y199 WeakPolarHBondContact CD-OH 3.44Å
108C95.8Very high87.7Confident1 Ų140.7 Ų40.71%0.00722%0.222CC..EExtended strand (participates in β ladder)trans-122.9115.8175.7-1720000108.1L4 L6 I144 V145 F146 H147L4-C108 CarbonylContact O-C 3.59Å; L4-C108 WeakPolarHBondContact O-CA 3.42Å; L6-C108 VanDerWaalsContact CD1-SG 3.5Å; C108-I144 HydrophobicContact CB-CG2 3.72Å; C108-V145 PolarHBondContact N-O 2.92Å; C108-F146 HydrophobicContact CB-CD1 3.63Å; C108-F146 HydrophobicContact CB-CE1 3.74Å; C108-F146 HydrophobicContact CB-CG 4.32Å; C108-F146 CarbonylContact O-C 3.58Å; C108-F146 WeakPolarHBondContact O-CA 3.27Å; C108-H147 PolarHBondContact O-N 3.29Å
109I96.7Very high86.1Confident0 Ų039.8 Ų39.80%022%0.216CC..EExtended strand (participates in β ladder)trans-111.1113.6-179.1-56.2179.4000108T3 L4 I5 L6 L34 F111 H147 I149 Y199T3-I109 HydrophobicContact CG2-CD1 4.13Å; T3-I109 HydrophobicContact CG2-CG1 4.44Å; L4-I109 PolarHBondContact O-N 3.14Å; I5-I109 CarbonylContact C-O 3.45Å; I5-I109 WeakPolarHBondContact CA-O 3.4Å; L6-I109 PolarHBondContact N-O 2.87Å; L34-I109 HydrophobicContact CD1-CD1 3.82Å; L34-I109 HydrophobicContact CD2-CB 4.24Å; L34-I109 HydrophobicContact CD2-CD1 3.68Å; L34-I109 HydrophobicContact CD2-CG2 3.92Å; L34-I109 HydrophobicContact CG-CD1 4.28Å; I109-F111 HydrophobicContact CG2-CD2 4.36Å; I109-F111 HydrophobicContact CG2-CE2 3.85Å; I109-F111 HydrophobicContact CG2-CZ 4.41Å; I109-H147 CarbonylContact C-O 3.46Å; I109-H147 VanDerWaalsContact CA-O 3.27Å; I109-H147 WeakPolarHBondContact CA-O 3.28Å; I109-H147 HydrophobicContact CG1-CB 4.26Å; I109-I149 HydrophobicContact CG2-CD1 3.81Å; I109-I149 HydrophobicContact CG2-CG1 4.33Å; I109-Y199 WeakPolarHBondContact CD1-OH 3.21Å
110L95.8Very high84.4Confident6 Ų643.9 Ų43.93%0.03123%0.232CC..EExtended strand (participates in β ladder)trans-103.6122.3178.9172.864.6000109.9L6 V52 M83 Y85 T112 H147 I148 I149 L163L6-L110 HydrophobicContact CB-CB 4.24Å; L6-L110 HydrophobicContact CB-CD1 3.57Å; L6-L110 HydrophobicContact CD1-CB 4.47Å; L6-L110 HydrophobicContact CD1-CD1 4.32Å; L6-L110 WeakPolarHBondContact O-CA 3.12Å; V52-L110 HydrophobicContact CG2-CD1 4Å; M83-L110 HydrophobicContact CE-CD1 4.21Å; Y85-L110 HydrophobicContact CD1-CD2 4.08Å; Y85-L110 HydrophobicContact CE1-CD2 4.2Å; L110-T112 HydrophobicContact CD2-CG2 4.08Å; L110-T112 HydrophobicContact CG-CG2 4.07Å; L110-H147 PolarHBondContact N-O 2.89Å; L110-I148 HydrophobicContact CB-CG1 4.29Å; L110-I148 HydrophobicContact CD2-CG1 4.33Å; L110-I148 HydrophobicContact CD2-CG2 4.18Å; L110-I148 HydrophobicContact CG-CG2 4.45Å; L110-I148 CarbonylContact O-C 3.58Å; L110-I148 WeakPolarHBondContact O-CA 3.38Å; L110-I149 PolarHBondContact O-N 2.85Å; L110-L163 HydrophobicContact CD2-CD2 4.33Å
111F94.6Very high82.6Confident0 Ų042.6 Ų42.60%023%0.233CC..EExtended strand (participates in β ladder)trans-92.4130165.5-67.2-99000108.4I5 L6 L7 D8 E27 L34 I109 I149 L151 L187I5-F111 HydrophobicContact CG2-CD2 4.15Å; I5-F111 HydrophobicContact CG2-CE2 3.96Å; L6-F111 PolarHBondContact O-N 3.35Å; L7-F111 HydrophobicContact CD2-CB 4.46Å; L7-F111 HydrophobicContact CD2-CD2 3.85Å; L7-F111 HydrophobicContact CD2-CG 4.38Å; D8-F111 WeakPolarHBondContact CB-O 3.32Å; D8-F111 PolarHBondContact N-O 2.75Å; E27-F111 HydrophobicContact CG-CB 3.67Å; E27-F111 HydrophobicContact CG-CD1 4.39Å; E27-F111 HydrophobicContact CG-CG 4.06Å; E27-F111 VanDerWaalsContact OE2-CB 3.31Å; E27-F111 WeakPolarHBondContact OE2-CB 3.39Å; L34-F111 HydrophobicContact CD2-CE2 3.83Å; L34-F111 HydrophobicContact CD2-CZ 3.92Å; I109-F111 HydrophobicContact CG2-CD2 4.36Å; I109-F111 HydrophobicContact CG2-CE2 3.85Å; I109-F111 HydrophobicContact CG2-CZ 4.41Å; F111-I149 HydrophobicContact CD1-CB 4.28Å; F111-I149 HydrophobicContact CD1-CD1 4.28Å; F111-I149 HydrophobicContact CD1-CG2 4.36Å; F111-I149 HydrophobicContact CE1-CD1 3.73Å; F111-I149 HydrophobicContact CE1-CG2 4.48Å; F111-I149 HydrophobicContact CE2-CD1 4.36Å; F111-I149 HydrophobicContact CZ-CD1 3.77Å; F111-L151 HydrophobicContact CD1-CD2 4.28Å; F111-L187 HydrophobicContact CE1-CD1 4.2Å
112T92.4Very high80.9Confident0 Ų043.4 Ų43.40%024%0.238CC..EExtended strand (participates in β ladder)trans-162.4161.3-179.4-177.70000111.2D8 Y85 L110 A114 I148 I149 C150 L151 L163D8-T112 VanDerWaalsContact OD2-CB 3.32Å; D8-T112 WeakPolarHBondContact OD2-CB 3.39Å; D8-T112 PolarHBondContact OD2-OG1 3.07Å; Y85-T112 HydrophobicContact CE1-CG2 4.1Å; Y85-T112 WeakPolarHBondContact CE1-OG1 3.35Å; Y85-T112 PolarHBondContact OH-OG1 2.9Å; L110-T112 HydrophobicContact CD2-CG2 4.08Å; L110-T112 HydrophobicContact CG-CG2 4.07Å; T112-A114 VanDerWaalsContact C-N 3.33Å; T112-A114 PolarHBondContact OG1-N 3.45Å; T112-I148 HydrophobicContact CG2-CG2 3.84Å; T112-I149 PolarHBondContact N-O 3.49Å; T112-I149 VanDerWaalsContact N-O 3.1Å; T112-C150 CarbonylContact O-C 3.57Å; T112-C150 VanDerWaalsContact O-CA 3.28Å; T112-C150 WeakPolarHBondContact O-CA 3.48Å; T112-L151 PolarHBondContact O-N 3.02Å; T112-L163 HydrophobicContact CG2-CD1 4.39Å
113D89.2Confident79.2Confident12 Ų1245 Ų456%0.06425%0.247CC..  trans-88.52.4171.172.3-5.4000114S12 M13 L23 S115S12-D113 WeakPolarHBondContact CB-OD2 3.27Å; S12-D113 PolarHBondContact OG-OD2 2.89Å; M13-D113 HydrophobicContact SD-CB 3.73Å; M13-D113 PolarHBondContact SD-N 3.42Å; M13-D113 VanDerWaalsContact SD-N 3.42Å; L23-D113 HydrophobicContact CD1-CB 3.66Å; D113-S115 PolarHBondContact O-N 2.82Å; D113-S115 WeakPolarHBondContact OD1-CB 3.48Å; D113-S115 PolarHBondContact OD1-N 3.34Å; D113-S115 PolarHBondContact OD1-OG 2.98Å; D113-S115 PolarHBondContact OD2-OG 3.4Å
114A86.2Confident77.5Confident5 Ų546.7 Ų46.74%0.04125%0.254CS..SBendtrans61.922.7-17700000115Y85 T112 C157 L163Y85-A114 VanDerWaalsContact OH-C 3.26Å; Y85-A114 WeakPolarHBondContact OH-CA 3.26Å; Y85-A114 PolarHBondContact OH-N 3.31Å; T112-A114 VanDerWaalsContact C-N 3.33Å; T112-A114 PolarHBondContact OG1-N 3.45Å; A114-C157 WeakPolarHBondContact O-CB 3.32Å; A114-L163 HydrophobicContact CB-CD1 3.92Å
115S84.7Confident75.6Confident35 Ų3548.5 Ų48.525%0.24527%0.268CS..  trans-97.5-9.7-179.578.40000114.8S12 Y85 D113 N159S12-S115 WeakPolarHBondContact CB-OG 3.36Å; S12-S115 PolarHBondContact OG-OG 2.99Å; Y85-S115 PolarHBondContact OH-N 3.47Å; D113-S115 PolarHBondContact O-N 2.82Å; D113-S115 WeakPolarHBondContact OD1-CB 3.48Å; D113-S115 PolarHBondContact OD1-N 3.34Å; D113-S115 PolarHBondContact OD1-OG 2.98Å; D113-S115 PolarHBondContact OD2-OG 3.4Å; S115-N159 PolarHBondContact O-ND2 3.05Å
116G78.1Confident73.6Confident3 Ų357 Ų573%0.03130%0.304CS..  trans-58.3160.5-178.200000114.7M83 Y85 N159M83-G116 CarbonylContact O-C 3.52Å; M83-G116 WeakPolarHBondContact O-CA 3.36Å; Y85-G116 PolarHBondContact OH-N 3.35Å; G116-N159 WeakPolarHBondContact O-CB 3.34Å; G116-N159 VanDerWaalsContact O-CG 3.24Å; G116-N159 PolarHBondContact O-ND2 3.02Å
117R72Confident72Confident182 Ų18261.1 Ų61.169%0.68735%0.347SS*.  trans-130147.5-176.2-62.2-178.7-176.6-174.9-0.2109.7M83 D84M83-R117 PolarHBondContact O-N 3.42Å; M83-R117 VanDerWaalsContact O-O 3.12Å; D84-R117 WeakPolarHBondContact CA-O 3.45Å
118S66.1Low70.6Confident21 Ų2168.7 Ų68.715%0.14738%0.38CS..  trans-69.6131.5166.11710000108.9E120 V121S118-E120 PolarHBondContact O-N 3.46Å; S118-E120 PolarHBondContact OG-N 3.25Å; S118-V121 PolarHBondContact OG-N 3.43Å
119S60.3Low69.3Low69 Ų6970.5 Ų70.548%0.48339%0.393SS..SBendtrans-74.2-12.5178.7-159.50000113.2K82 D84K82-S119 PolarHBondContact NZ-OG 2.93Å; D84-S119 WeakPolarHBondContact OD2-CB 3.27Å; D84-S119 PolarHBondContact OD2-N 2.84Å
120E57Low68.3Low166 Ų16672.7 Ų72.778%0.77641%0.406SS*.SBendtrans-122.1-11.4-169.4-64-166.9162.500115.7S118 P122S118-E120 PolarHBondContact O-N 3.46Å; S118-E120 PolarHBondContact OG-N 3.25Å; E120-P122 WeakPolarHBondContact O-CD 3.36Å
121V54Low67.8Low49 Ų4972.7 Ų72.730%0.29741%0.406SS..  trans-107.3110.9-174-174.90000111S118 V130S118-V121 PolarHBondContact OG-N 3.43Å; V121-V130 HydrophobicContact CB-CG1 4.45Å; V121-V130 HydrophobicContact CG1-CG1 4.12Å; V121-V130 WeakPolarHBondContact CG2-O 3.39Å
122P50.4Low67.3Low95 Ų9574.1 Ų74.162%0.61742%0.415SS*.  trans-60.4138.6171.124-30.3000108.8E120 I124E120-P122 WeakPolarHBondContact O-CD 3.36Å; P122-I124 PolarHBondContact O-N 2.93Å
123P48.8Very low67.1Low114 Ų11480.8 Ų80.874%0.7445%0.451SS*.SBendtrans-60.9136170.929.6-31.4000106
124I47.7Very low67.1Low144 Ų14484.6 Ų84.674%0.73847%0.468SS*.  trans9482.6172.6-40.6143.6000114.6P122 F126P122-I124 PolarHBondContact O-N 2.93Å; I124-F126 HydrophobicContact CG2-CD2 4.08Å; I124-F126 HydrophobicContact CG2-CE2 4.2Å
125S44.9Very low67.3Low72 Ų7284.4 Ų84.450%0.50347%0.466SS..  trans-127.5107.9137.4320000108.5G127 K128S125-G127 PolarHBondContact O-N 2.81Å; S125-K128 PolarHBondContact O-N 3.14Å
126F45.7Very low67.5Low212 Ų21283.3 Ų83.393%0.9346%0.458SS*.THydrogen-bonded Turntrans-51.8112.9176.2-88.3-95.4000109.9I124I124-F126 HydrophobicContact CG2-CD2 4.08Å; I124-F126 HydrophobicContact CG2-CE2 4.2Å
127G58.3Low68.1Low88 Ų8889.1 Ų89.191%0.90748%0.484SS*.THydrogen-bonded Turntrans97.7-4.6169.700000117.5S125S125-G127 PolarHBondContact O-N 2.81Å
128K63.9Low69Low168 Ų16883.1 Ų83.173%0.7347%0.465SS*.SBendtrans-102.4147.2175-69.3-172.1179.1-176.20111.6S125S125-K128 PolarHBondContact O-N 3.14Å
129S68.9Low70.2Confident40 Ų4082.1 Ų82.128%0.2846%0.458SS..  trans-52.4140.5173.2-175.70000110.3L131 E165S129-L131 PolarHBondContact O-N 2.85Å; S129-L131 PolarHBondContact OG-N 2.84Å; S129-L131 PolarHBondContact OG-O 2.76Å; S129-E165 VanDerWaalsContact CA-OE1 3.31Å; S129-E165 WeakPolarHBondContact CA-OE1 3.47Å; S129-E165 WeakPolarHBondContact CB-OE1 3.44Å; S129-E165 PolarHBondContact OG-OE1 2.78Å
130V76.2Confident71.6Confident46 Ų4685.5 Ų85.528%0.27946%0.461SS..SBendtrans-75.7-14.8172.3-171.90000110.3V121 I162 E165V121-V130 HydrophobicContact CB-CG1 4.45Å; V121-V130 HydrophobicContact CG1-CG1 4.12Å; V121-V130 WeakPolarHBondContact CG2-O 3.39Å; V130-I162 HydrophobicContact CG1-CD1 4.28Å; V130-I162 HydrophobicContact CG1-CG1 3.8Å; V130-E165 WeakPolarHBondContact CB-OE2 3.29Å; V130-E165 PolarHBondContact N-OE2 2.83Å
131L83.6Confident73Confident6 Ų682.2 Ų82.23%0.03145%0.449CS..SBendtrans-90.8141.7179-56.9-179.3000110.9V86 S129 L135 V136 L139 I162 E165 I166 K169V86-L131 HydrophobicContact CG2-CD2 4.05Å; S129-L131 PolarHBondContact O-N 2.85Å; S129-L131 PolarHBondContact OG-N 2.84Å; S129-L131 PolarHBondContact OG-O 2.76Å; L131-L135 HydrophobicContact CD2-CD2 4.19Å; L131-V136 HydrophobicContact CB-CG2 3.75Å; L131-V136 HydrophobicContact CD1-CG2 4.42Å; L131-L139 HydrophobicContact CD1-CD1 3.9Å; L131-I162 HydrophobicContact CD2-CG2 4.01Å; L131-E165 HydrophobicContact CD1-CB 4.21Å; L131-E165 HydrophobicContact CD1-CG 3.77Å; L131-E165 HydrophobicContact CG-CB 4.35Å; L131-E165 HydrophobicContact CG-CG 3.96Å; L131-I166 HydrophobicContact CD1-CG1 3.9Å; L131-I166 HydrophobicContact CD2-CD1 4.44Å; L131-I166 HydrophobicContact CD2-CG1 3.9Å; L131-K169 HydrophobicContact CD1-CG 4.33Å
132P85.7Confident74.6Confident29 Ų2980 Ų8019%0.18844%0.435CS..  trans-57.4142.8168.5-24.134.1000112.1V86 H134 L135 V136V86-P132 HydrophobicContact CG1-CG 3.95Å; P132-H134 WeakPolarHBondContact CB-CE1 3.35Å; P132-H134 WeakPolarHBondContact CB-ND1 3.5Å; P132-H134 PolarHBondContact O-N 2.98Å; P132-H134 VanDerWaalsContact O-N 3.14Å; P132-L135 PolarHBondContact O-N 2.77Å; P132-V136 PolarHBondContact O-N 2.84Å; P132-V136 VanDerWaalsContact O-N 3.09Å
133D87Confident76.4Confident141 Ų14177.1 Ų77.175%0.75441%0.414SS*.Hα-helixtrans-56.4-35.2-177-71.2-31.1000113.1V136 H137D133-V136 PolarHBondContact O-N 2.65Å; D133-H137 PolarHBondContact O-N 2.95Å
134H89.3Confident78.5Confident92 Ų9271.7 Ų71.743%0.42638%0.379SS..Hα-helixtrans-64.6-40.3177.267.5-93.7000111.8E90 P132 H137 L138E90-H134 IonicContact OE1-CD2 3.62Å; E90-H134 IonicContact OE1-NE2 2.77Å; E90-H134 IonicContact OE2-NE2 2.65Å; P132-H134 WeakPolarHBondContact CB-CE1 3.35Å; P132-H134 WeakPolarHBondContact CB-ND1 3.5Å; P132-H134 PolarHBondContact O-N 2.98Å; P132-H134 VanDerWaalsContact O-N 3.14Å; H134-H137 PolarHBondContact O-N 3.32Å; H134-L138 WeakPolarHBondContact O-CG 3.34Å; H134-L138 PolarHBondContact O-N 2.81Å
135L90.3Very high80.6Confident0 Ų065 Ų650%035%0.345CS..Hα-helixtrans-69.6-38.9177.4-177.661.1000110.8V86 V89 E90 I93 L131 P132 H137 L138 L139V86-L135 HydrophobicContact CB-CD2 4.44Å; V86-L135 HydrophobicContact CG1-CD2 3.8Å; V89-L135 HydrophobicContact CG1-CD1 4.21Å; E90-L135 HydrophobicContact CB-CD1 4.37Å; I93-L135 HydrophobicContact CD1-CD1 4.12Å; L131-L135 HydrophobicContact CD2-CD2 4.19Å; P132-L135 PolarHBondContact O-N 2.77Å; L135-H137 VanDerWaalsContact C-N 3.28Å; L135-H137 PolarHBondContact O-N 3.31Å; L135-L138 PolarHBondContact O-N 3.36Å; L135-L139 HydrophobicContact CD1-CD1 4.37Å; L135-L139 HydrophobicContact CD1-CG 4.17Å; L135-L139 HydrophobicContact CG-CD1 3.97Å; L135-L139 HydrophobicContact CG-CG 4.25Å; L135-L139 WeakPolarHBondContact O-CB 3.27Å; L135-L139 VanDerWaalsContact O-CG 3.29Å; L135-L139 WeakPolarHBondContact O-CG 3.47Å; L135-L139 PolarHBondContact O-N 3.29Å
136V90.3Very high83Confident13 Ų1361.9 Ų61.98%0.07932%0.322CS..Hα-helixtrans-59.6-42.2173.7177.80000110.8L131 P132 D133 R140 K169L131-V136 HydrophobicContact CB-CG2 3.75Å; L131-V136 HydrophobicContact CD1-CG2 4.42Å; P132-V136 PolarHBondContact O-N 2.84Å; P132-V136 VanDerWaalsContact O-N 3.09Å; D133-V136 PolarHBondContact O-N 2.65Å; V136-R140 WeakPolarHBondContact O-CB 3.47Å; V136-R140 VanDerWaalsContact O-CG 3.3Å; V136-R140 WeakPolarHBondContact O-CG 3.39Å; V136-R140 PolarHBondContact O-N 2.98Å; V136-R140 VanDerWaalsContact O-N 3.12Å; V136-K169 HydrophobicContact CG1-CD 4.12Å; V136-K169 HydrophobicContact CG1-CG 4.29Å
137H90Very high85.4Confident124 Ų12451.8 Ų51.857%0.57428%0.278SS*.Hα-helixtrans-64.5-41.6175.3-174.5-79.7000112.1D133 H134 L135 N141D133-H137 PolarHBondContact O-N 2.95Å; H134-H137 PolarHBondContact O-N 3.32Å; L135-H137 VanDerWaalsContact C-N 3.28Å; L135-H137 PolarHBondContact O-N 3.31Å; H137-N141 PolarHBondContact CE1-ND2 2.92Å; H137-N141 PolarHBondContact ND1-ND2 3.31Å; H137-N141 PolarHBondContact NE2-ND2 3.09Å; H137-N141 PolarHBondContact O-N 3.06Å; H137-N141 PolarHBondContact O-ND2 3.2Å
138L90.8Very high87.1Confident56 Ų5647.8 Ų47.829%0.29324%0.236SC..Hα-helixtrans-63-49.3176-72.3171.5000111.5I93 H134 L135 R140 N141 C142I93-L138 HydrophobicContact CD1-CB 4.21Å; H134-L138 WeakPolarHBondContact O-CG 3.34Å; H134-L138 PolarHBondContact O-N 2.81Å; L135-L138 PolarHBondContact O-N 3.36Å; L138-R140 VanDerWaalsContact C-N 3.29Å; L138-R140 PolarHBondContact O-N 3.37Å; L138-N141 CarbonylContact O-C 3.57Å; L138-N141 PolarHBondContact O-N 2.79Å; L138-N141 VanDerWaalsContact O-N 3.15Å; L138-C142 VanDerWaalsContact O-CB 3.23Å; L138-C142 WeakPolarHBondContact O-CB 3.36Å; L138-C142 PolarHBondContact O-N 3.17Å
139L91.2Very high88.5Confident0 Ų039.8 Ų39.80%020%0.201CC..Hα-helixtrans-61.1-36.7-178.8-70.5170.7000112.8V89 I93 L131 L135 N141 C142 F146 I166 K169 T170V89-L139 HydrophobicContact CG1-CD2 3.95Å; I93-L139 HydrophobicContact CD1-CD2 4.01Å; L131-L139 HydrophobicContact CD1-CD1 3.9Å; L135-L139 HydrophobicContact CD1-CD1 4.37Å; L135-L139 HydrophobicContact CD1-CG 4.17Å; L135-L139 HydrophobicContact CG-CD1 3.97Å; L135-L139 HydrophobicContact CG-CG 4.25Å; L135-L139 WeakPolarHBondContact O-CB 3.27Å; L135-L139 VanDerWaalsContact O-CG 3.29Å; L135-L139 WeakPolarHBondContact O-CG 3.47Å; L135-L139 PolarHBondContact O-N 3.29Å; L139-N141 VanDerWaalsContact C-N 3.31Å; L139-N141 PolarHBondContact O-N 3.26Å; L139-C142 PolarHBondContact O-SG 2.81Å; L139-F146 HydrophobicContact CD2-CE2 3.86Å; L139-F146 HydrophobicContact CD2-CZ 4.09Å; L139-I166 HydrophobicContact CD1-CB 4.37Å; L139-I166 HydrophobicContact CD1-CG1 4.36Å; L139-I166 HydrophobicContact CD1-CG2 4.12Å; L139-I166 HydrophobicContact CD2-CG2 4.09Å; L139-K169 HydrophobicContact CB-CB 4.12Å; L139-K169 HydrophobicContact CD1-CB 4.17Å; L139-T170 HydrophobicContact CB-CG2 4.35Å; L139-T170 HydrophobicContact CD2-CG2 3.81Å; L139-T170 WeakPolarHBondContact O-CA 3.35Å
140R88.7Confident89.6Confident141 Ų14138 Ų3853%0.53219%0.188SC..Hα-helixtrans-70.3-26.6178.3-78176.9173.3178.4-1.9114V136 L138 K169 Q171V136-R140 WeakPolarHBondContact O-CB 3.47Å; V136-R140 VanDerWaalsContact O-CG 3.3Å; V136-R140 WeakPolarHBondContact O-CG 3.39Å; V136-R140 PolarHBondContact O-N 2.98Å; V136-R140 VanDerWaalsContact O-N 3.12Å; L138-R140 VanDerWaalsContact C-N 3.29Å; L138-R140 PolarHBondContact O-N 3.37Å; R140-K169 WeakPolarHBondContact CG-O 3.26Å; R140-Q171 PolarHBondContact O-OE1 3.47Å
141N87.2Confident90.3Very high97 Ų9735.8 Ų35.852%0.51918%0.175SC..Hα-helixtrans-109.3-1.3-175.5-64.8-52.2000112.7H137 L138 L139H137-N141 PolarHBondContact CE1-ND2 2.92Å; H137-N141 PolarHBondContact ND1-ND2 3.31Å; H137-N141 PolarHBondContact NE2-ND2 3.09Å; H137-N141 PolarHBondContact O-N 3.06Å; H137-N141 PolarHBondContact O-ND2 3.2Å; L138-N141 CarbonylContact O-C 3.57Å; L138-N141 PolarHBondContact O-N 2.79Å; L138-N141 VanDerWaalsContact O-N 3.15Å; L139-N141 VanDerWaalsContact C-N 3.31Å; L139-N141 PolarHBondContact O-N 3.26Å
142C88.7Confident90.3Very high1 Ų136.8 Ų36.81%0.00718%0.182CC..  trans-85.6135.2-177.6710000112.3Y97 L138 L139 I144Y97-C142 HydrophobicContact CE2-CB 4.42Å; Y97-C142 WeakPolarHBondContact OH-CA 3.14Å; Y97-C142 VanDerWaalsContact OH-CB 3.25Å; Y97-C142 WeakPolarHBondContact OH-CB 3.37Å; L138-C142 VanDerWaalsContact O-CB 3.23Å; L138-C142 WeakPolarHBondContact O-CB 3.36Å; L138-C142 PolarHBondContact O-N 3.17Å; L139-C142 PolarHBondContact O-SG 2.81Å; C142-I144 HydrophobicContact CB-CB 4.47Å; C142-I144 HydrophobicContact CB-CD1 4.06Å; C142-I144 HydrophobicContact CB-CG1 4.22Å; C142-I144 PolarHBondContact O-N 3.41Å
143N88.2Confident89.6Confident35 Ų3537.9 Ų37.919%0.18719%0.19CC..  trans-82.853.5168.9-68.5-37.8000112Y97 S102 L105 C106 W172Y97-N143 PolarHBondContact OH-N 2.63Å; Y97-N143 VanDerWaalsContact OH-N 3.12Å; S102-N143 PolarHBondContact O-ND2 3.09Å; L105-N143 CarbonylContact C-O 3.56Å; L105-N143 WeakPolarHBondContact CA-O 3.35Å; C106-N143 PolarHBondContact N-O 2.94Å; N143-W172 PolarHBondContact OD1-NE1 3.49Å; N143-W172 VanDerWaalsContact OD1-NE1 3.12Å
144I92.1Very high88.5Confident0 Ų036.5 Ų36.50%018%0.182CC..EExtended strand (participates in β ladder)trans-126.3128-178.4-56.5165.3000109.2I93 I96 C106 C108 C142 F146I93-I144 HydrophobicContact CB-CD1 4.26Å; I93-I144 HydrophobicContact CG1-CD1 3.83Å; I93-I144 HydrophobicContact CG2-CD1 4.27Å; I96-I144 HydrophobicContact CB-CD1 4.33Å; I96-I144 HydrophobicContact CD1-CD1 3.68Å; I96-I144 HydrophobicContact CD1-CG1 4.06Å; I96-I144 HydrophobicContact CD1-CG2 4.16Å; I96-I144 HydrophobicContact CG2-CD1 4.21Å; I96-I144 HydrophobicContact CG2-CG1 4.4Å; C106-I144 HydrophobicContact CB-CG1 4.17Å; C106-I144 CarbonylContact O-C 3.55Å; C106-I144 WeakPolarHBondContact O-CA 3.37Å; C108-I144 HydrophobicContact CB-CG2 3.72Å; C142-I144 HydrophobicContact CB-CB 4.47Å; C142-I144 HydrophobicContact CB-CD1 4.06Å; C142-I144 HydrophobicContact CB-CG1 4.22Å; C142-I144 PolarHBondContact O-N 3.41Å; I144-F146 HydrophobicContact CB-CD2 4.42Å; I144-F146 HydrophobicContact CB-CE2 3.8Å; I144-F146 HydrophobicContact CB-CZ 4.21Å; I144-F146 HydrophobicContact CG2-CD2 3.98Å; I144-F146 HydrophobicContact CG2-CE1 4.22Å; I144-F146 HydrophobicContact CG2-CE2 3.58Å; I144-F146 HydrophobicContact CG2-CG 4.49Å; I144-F146 HydrophobicContact CG2-CZ 3.72Å
145V92.7Very high87Confident5 Ų539.3 Ų39.33%0.0319%0.193CC..EExtended strand (participates in β ladder)trans-93.7122170-171.10000108.5L105 C106 R107 C108 W172L105-V145 HydrophobicContact CD1-CG2 3.92Å; C106-V145 PolarHBondContact O-N 3.28Å; R107-V145 CarbonylContact C-O 3.58Å; R107-V145 WeakPolarHBondContact CA-O 3.44Å; R107-V145 HydrophobicContact CG-CB 4.39Å; C108-V145 PolarHBondContact N-O 2.92Å; V145-W172 HydrophobicContact CG2-CB 3.88Å; V145-W172 HydrophobicContact CG2-CG 4.38Å
146F94.6Very high85.2Confident5 Ų550.5 Ų50.52%0.02224%0.235CC..EExtended strand (participates in β ladder)trans-98.1125.5178.2-68.4-95000110.8V89 I93 C108 L139 I144 T170 S174 Q175V89-F146 HydrophobicContact CG1-CE1 3.9Å; V89-F146 HydrophobicContact CG1-CZ 3.94Å; V89-F146 HydrophobicContact CG2-CE1 4.42Å; I93-F146 HydrophobicContact CD1-CZ 4.38Å; I93-F146 HydrophobicContact CG1-CZ 4.13Å; C108-F146 HydrophobicContact CB-CD1 3.63Å; C108-F146 HydrophobicContact CB-CE1 3.74Å; C108-F146 HydrophobicContact CB-CG 4.32Å; C108-F146 CarbonylContact O-C 3.58Å; C108-F146 WeakPolarHBondContact O-CA 3.27Å; L139-F146 HydrophobicContact CD2-CE2 3.86Å; L139-F146 HydrophobicContact CD2-CZ 4.09Å; I144-F146 HydrophobicContact CB-CD2 4.42Å; I144-F146 HydrophobicContact CB-CE2 3.8Å; I144-F146 HydrophobicContact CB-CZ 4.21Å; I144-F146 HydrophobicContact CG2-CD2 3.98Å; I144-F146 HydrophobicContact CG2-CE1 4.22Å; I144-F146 HydrophobicContact CG2-CE2 3.58Å; I144-F146 HydrophobicContact CG2-CG 4.49Å; I144-F146 HydrophobicContact CG2-CZ 3.72Å; F146-T170 HydrophobicContact CD2-CG2 3.49Å; F146-T170 VanDerWaalsContact CD2-CG2 3.49Å; F146-T170 HydrophobicContact CE2-CG2 3.82Å; F146-T170 HydrophobicContact CG-CG2 4.5Å; F146-S174 PolarHBondContact N-OG 3.03Å; F146-S174 CarbonylContact O-C 3.52Å; F146-S174 WeakPolarHBondContact O-CA 3.4Å; F146-S174 WeakPolarHBondContact O-CB 3.42Å; F146-Q175 PolarHBondContact O-N 3.37Å
147H95.4Very high83.5Confident1 Ų151.7 Ų51.71%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-113.9117.3165.3-65.3-68.9000109.2C108 I109 L110 Q175 H177 I194 E198C108-H147 PolarHBondContact O-N 3.29Å; I109-H147 CarbonylContact C-O 3.46Å; I109-H147 VanDerWaalsContact CA-O 3.27Å; I109-H147 WeakPolarHBondContact CA-O 3.28Å; I109-H147 HydrophobicContact CG1-CB 4.26Å; L110-H147 PolarHBondContact N-O 2.89Å; H147-Q175 WeakPolarHBondContact CA-O 3.46Å; H147-H177 AromaticContact CG-NE2 3.96Å; H147-H177 AromaticContact ND1-NE2 3.25Å; H147-H177 PolarHBondContact ND1-NE2 3.25Å; H147-I194 HydrophobicContact CB-CD1 4.4Å; H147-E198 IonicContact CE1-OE1 2.63Å; H147-E198 VanDerWaalsContact NE2-CG 3.29Å; H147-E198 WeakPolarHBondContact NE2-CG 3.19Å; H147-E198 IonicContact NE2-OE1 3.36Å
148I94.3Very high81.9Confident4 Ų448.5 Ų48.52%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-106.8114.7178.7-59.2159.1000107.6L110 T112 L163 V167 Q175 I176 H177L110-I148 HydrophobicContact CB-CG1 4.29Å; L110-I148 HydrophobicContact CD2-CG1 4.33Å; L110-I148 HydrophobicContact CD2-CG2 4.18Å; L110-I148 HydrophobicContact CG-CG2 4.45Å; L110-I148 CarbonylContact O-C 3.58Å; L110-I148 WeakPolarHBondContact O-CA 3.38Å; T112-I148 HydrophobicContact CG2-CG2 3.84Å; I148-L163 HydrophobicContact CD1-CB 4.13Å; I148-L163 HydrophobicContact CD1-CD2 3.96Å; I148-L163 HydrophobicContact CG2-CD1 4.14Å; I148-L163 HydrophobicContact CG2-CD2 4.4Å; I148-V167 HydrophobicContact CD1-CG2 3.67Å; I148-Q175 PolarHBondContact N-O 2.97Å; I148-I176 HydrophobicContact CB-CG1 4.38Å; I148-I176 HydrophobicContact CB-CG2 4.31Å; I148-I176 HydrophobicContact CD1-CG1 4.18Å; I148-I176 HydrophobicContact CG2-CG2 4.4Å; I148-I176 CarbonylContact O-C 3.57Å; I148-I176 WeakPolarHBondContact O-CA 3.16Å; I148-H177 PolarHBondContact O-N 2.82Å
149I94.2Very high80.4Confident0 Ų048 Ų480%024%0.243CC..EExtended strand (participates in β ladder)trans-97.4103.3179.2-56.3175.4000107.7I109 L110 F111 T112 L151 L187 I191 I194I109-I149 HydrophobicContact CG2-CD1 3.81Å; I109-I149 HydrophobicContact CG2-CG1 4.33Å; L110-I149 PolarHBondContact O-N 2.85Å; F111-I149 HydrophobicContact CD1-CB 4.28Å; F111-I149 HydrophobicContact CD1-CD1 4.28Å; F111-I149 HydrophobicContact CD1-CG2 4.36Å; F111-I149 HydrophobicContact CE1-CD1 3.73Å; F111-I149 HydrophobicContact CE1-CG2 4.48Å; F111-I149 HydrophobicContact CE2-CD1 4.36Å; F111-I149 HydrophobicContact CZ-CD1 3.77Å; T112-I149 PolarHBondContact N-O 3.49Å; T112-I149 VanDerWaalsContact N-O 3.1Å; I149-L151 HydrophobicContact CG2-CD2 4.09Å; I149-L151 PolarHBondContact O-N 3.31Å; I149-L187 HydrophobicContact CG2-CD1 3.81Å; I149-I191 HydrophobicContact CD1-CG1 4.35Å; I149-I194 HydrophobicContact CD1-CD1 3.79Å; I149-I194 HydrophobicContact CG1-CD1 3.95Å
150C91.7Very high79.6Confident1 Ų148.1 Ų48.11%0.00724%0.243CC..EExtended strand (participates in β ladder)trans-81.8108.6176.7-61.90000109.5T112 I176 H177 Y178 L179T112-C150 CarbonylContact O-C 3.57Å; T112-C150 VanDerWaalsContact O-CA 3.28Å; T112-C150 WeakPolarHBondContact O-CA 3.48Å; C150-I176 WeakPolarHBondContact SG-CG2 3.35Å; C150-H177 PolarHBondContact N-O 2.83Å; C150-Y178 HydrophobicContact CB-CD1 3.78Å; C150-Y178 HydrophobicContact CB-CE1 4.24Å; C150-Y178 HydrophobicContact CB-CG 4.4Å; C150-L179 PolarHBondContact O-N 3.02Å; C150-L179 VanDerWaalsContact O-N 3.14Å
151L90Very high79.1Confident0 Ų044.7 Ų44.70%024%0.238CC..  trans-76.4-23.4-176.4-61.6178.7000113.3M13 L23 E27 F111 T112 I149 L179 S182 L187M13-L151 HydrophobicContact CE-CD1 3.71Å; L23-L151 HydrophobicContact CD2-CB 4.01Å; E27-L151 HydrophobicContact CB-CD1 3.84Å; F111-L151 HydrophobicContact CD1-CD2 4.28Å; T112-L151 PolarHBondContact O-N 3.02Å; I149-L151 HydrophobicContact CG2-CD2 4.09Å; I149-L151 PolarHBondContact O-N 3.31Å; L151-L179 HydrophobicContact CD2-CD1 3.86Å; L151-S182 WeakPolarHBondContact O-CB 3.33Å; L151-S182 PolarHBondContact O-OG 3.31Å; L151-L187 HydrophobicContact CD2-CD1 4.05Å; L151-L187 HydrophobicContact CD2-CD2 4.17Å
152S83.4Confident79.1Confident27 Ų2740.5 Ų40.519%0.18922%0.216CC..SBendtrans-91.3135.3179.3-175.30000111.5N154S152-N154 PolarHBondContact O-N 3.23Å
153P70.7Confident79Confident52 Ų5240.5 Ų40.534%0.33822%0.215SC..  trans-76.5-9.4-173.733-34.7000112.7K155 L179 P180 S182P153-K155 PolarHBondContact O-N 3.45Å; P153-L179 WeakPolarHBondContact CA-O 3.4Å; P153-P180 WeakPolarHBondContact CB-O 3.38Å; P153-S182 WeakPolarHBondContact CD-OG 3.33Å
154N65.7Low79Confident112 Ų11244.4 Ų44.460%0.59923%0.227SC*.  trans-75.689.7-177.5-88.1-27.8000111.6S152 R156 C157S152-N154 PolarHBondContact O-N 3.23Å; N154-R156 PolarHBondContact O-N 3.49Å; N154-C157 PolarHBondContact O-N 2.91Å
155K57.8Low78.8Confident151 Ų15145.9 Ų45.966%0.65723%0.234SC*.THydrogen-bonded Turntrans-54.1-12.2169.6-66.6-176.9179.3179.20114.4P153P153-K155 PolarHBondContact O-N 3.45Å
156R52.3Low78.7Confident235 Ų23545.7 Ų45.789%0.88723%0.233SC*.THydrogen-bonded Turntrans-94.24-174.4-64.9-172.8-179.8175.31.2114.8N154 G158N154-R156 PolarHBondContact O-N 3.49Å; R156-G158 PolarHBondContact O-N 2.89Å
157C55Low78.6Confident38 Ų3846.7 Ų46.726%0.25724%0.24SC..  trans-59111.4169.6-77.10000109A114 N154 N159 A160A114-C157 WeakPolarHBondContact O-CB 3.32Å; N154-C157 PolarHBondContact O-N 2.91Å; C157-N159 PolarHBondContact O-N 3.47Å; C157-A160 WeakPolarHBondContact O-CB 3.44Å; C157-A160 PolarHBondContact O-N 3.37Å
158G54.5Low78.3Confident57 Ų5750.6 Ų50.659%0.58827%0.267SS*.THydrogen-bonded Turntrans-56.4-15.6-17700000114.1R156 T161R156-G158 PolarHBondContact O-N 2.89Å; G158-T161 PolarHBondContact O-OG1 3.05Å; G158-T161 VanDerWaalsContact O-OG1 3.09Å
159N61Low78.1Confident47 Ų4753 Ų5325%0.25128%0.278SS..THydrogen-bonded Turntrans-85.7-7.8-179.4-58.9-15000113.8S115 G116 C157 T161 I162S115-N159 PolarHBondContact O-ND2 3.05Å; G116-N159 WeakPolarHBondContact O-CB 3.34Å; G116-N159 VanDerWaalsContact O-CG 3.24Å; G116-N159 PolarHBondContact O-ND2 3.02Å; C157-N159 PolarHBondContact O-N 3.47Å; N159-T161 PolarHBondContact O-N 3.13Å; N159-I162 PolarHBondContact O-N 3.45Å; N159-I162 VanDerWaalsContact O-N 3.14Å
160A72.5Confident77.8Confident2 Ų253.7 Ų53.72%0.01728%0.282CS..Hα-helixtrans-60.9-11.4171.200000113C157 R164C157-A160 WeakPolarHBondContact O-CB 3.44Å; C157-A160 PolarHBondContact O-N 3.37Å; A160-R164 WeakPolarHBondContact O-CB 3.41Å; A160-R164 WeakPolarHBondContact O-CG 3.21Å; A160-R164 PolarHBondContact O-N 3.04Å
161T80.2Confident77.2Confident69 Ų6959.3 Ų59.342%0.42331%0.308SS..Hα-helixtrans-61.7-43.4172500000112.3G158 N159 R164 E165G158-T161 PolarHBondContact O-OG1 3.05Å; G158-T161 VanDerWaalsContact O-OG1 3.09Å; N159-T161 PolarHBondContact O-N 3.13Å; T161-R164 PolarHBondContact O-N 3.16Å; T161-E165 WeakPolarHBondContact O-CB 3.15Å; T161-E165 PolarHBondContact O-N 2.9Å
162I85.5Confident76.9Confident9 Ų962.5 Ų62.55%0.04632%0.32CS..Hα-helixtrans-65-48.8-179.6-62.3172.1000110.2V86 V130 L131 N159 R164 E165 I166V86-I162 HydrophobicContact CG2-CG2 4.32Å; V130-I162 HydrophobicContact CG1-CD1 4.28Å; V130-I162 HydrophobicContact CG1-CG1 3.8Å; L131-I162 HydrophobicContact CD2-CG2 4.01Å; N159-I162 PolarHBondContact O-N 3.45Å; N159-I162 VanDerWaalsContact O-N 3.14Å; I162-R164 PolarHBondContact O-N 2.83Å; I162-E165 PolarHBondContact O-N 2.99Å; I162-E165 VanDerWaalsContact O-N 3.13Å; I162-I166 HydrophobicContact CG2-CD1 3.92Å; I162-I166 WeakPolarHBondContact O-CG1 3.29Å; I162-I166 PolarHBondContact O-N 3.25Å
163L87.7Confident76.9Confident0 Ų069.9 Ų69.90%034%0.344CS..Hα-helixtrans-62-42.5179.1-63.6174.8000111.9Y85 L110 T112 A114 I148 E165 I166 V167 I176Y85-L163 HydrophobicContact CD1-CD2 3.64Å; Y85-L163 HydrophobicContact CD2-CD2 3.93Å; Y85-L163 HydrophobicContact CD2-CG 4.18Å; Y85-L163 HydrophobicContact CE1-CD1 4.49Å; Y85-L163 HydrophobicContact CE1-CD2 3.97Å; Y85-L163 HydrophobicContact CE2-CD1 4.21Å; Y85-L163 HydrophobicContact CE2-CD2 4.22Å; Y85-L163 HydrophobicContact CE2-CG 4.2Å; Y85-L163 HydrophobicContact CG-CD2 3.64Å; Y85-L163 HydrophobicContact CG-CG 4.39Å; L110-L163 HydrophobicContact CD2-CD2 4.33Å; T112-L163 HydrophobicContact CG2-CD1 4.39Å; A114-L163 HydrophobicContact CB-CD1 3.92Å; I148-L163 HydrophobicContact CD1-CB 4.13Å; I148-L163 HydrophobicContact CD1-CD2 3.96Å; I148-L163 HydrophobicContact CG2-CD1 4.14Å; I148-L163 HydrophobicContact CG2-CD2 4.4Å; L163-E165 VanDerWaalsContact C-N 3.3Å; L163-E165 PolarHBondContact O-N 2.88Å; L163-I166 HydrophobicContact CD2-CD1 4.45Å; L163-I166 PolarHBondContact O-N 3.41Å; L163-V167 PolarHBondContact O-N 2.98Å; L163-I176 HydrophobicContact CB-CD1 3.91Å
164R88.3Confident77.8Confident117 Ų11768 Ų6844%0.44233%0.332SS..Hα-helixtrans-62.4-39.7174.2-74.9175.1-155.3135.44.7111.5A160 T161 I162 S168 I176A160-R164 WeakPolarHBondContact O-CB 3.41Å; A160-R164 WeakPolarHBondContact O-CG 3.21Å; A160-R164 PolarHBondContact O-N 3.04Å; T161-R164 PolarHBondContact O-N 3.16Å; I162-R164 PolarHBondContact O-N 2.83Å; R164-S168 VanDerWaalsContact O-CB 3.3Å; R164-S168 WeakPolarHBondContact O-CB 3.24Å; R164-S168 PolarHBondContact O-N 3.44Å; R164-S168 PolarHBondContact O-OG 3.07Å; R164-I176 HydrophobicContact CB-CD1 4.36Å; R164-I176 HydrophobicContact CG-CD1 3.75Å
165E88Confident79.1Confident31 Ų3167.2 Ų67.215%0.14532%0.324CS..Hα-helixtrans-64.9-47177.1-168.3162.6-162.200111S129 V130 L131 T161 I162 L163 V167 S168 K169S129-E165 VanDerWaalsContact CA-OE1 3.31Å; S129-E165 WeakPolarHBondContact CA-OE1 3.47Å; S129-E165 WeakPolarHBondContact CB-OE1 3.44Å; S129-E165 PolarHBondContact OG-OE1 2.78Å; V130-E165 WeakPolarHBondContact CB-OE2 3.29Å; V130-E165 PolarHBondContact N-OE2 2.83Å; L131-E165 HydrophobicContact CD1-CB 4.21Å; L131-E165 HydrophobicContact CD1-CG 3.77Å; L131-E165 HydrophobicContact CG-CB 4.35Å; L131-E165 HydrophobicContact CG-CG 3.96Å; T161-E165 WeakPolarHBondContact O-CB 3.15Å; T161-E165 PolarHBondContact O-N 2.9Å; I162-E165 PolarHBondContact O-N 2.99Å; I162-E165 VanDerWaalsContact O-N 3.13Å; L163-E165 VanDerWaalsContact C-N 3.3Å; L163-E165 PolarHBondContact O-N 2.88Å; E165-V167 VanDerWaalsContact C-N 3.34Å; E165-V167 PolarHBondContact O-N 3.22Å; E165-S168 WeakPolarHBondContact CA-OG 3.17Å; E165-S168 PolarHBondContact O-N 2.94Å; E165-S168 PolarHBondContact O-OG 3.23Å; E165-K169 HydrophobicContact CG-CG 4.27Å; E165-K169 WeakPolarHBondContact O-CG 3.09Å; E165-K169 PolarHBondContact O-N 3.23Å; E165-K169 WeakPolarHBondContact OE1-CE 3.09Å; E165-K169 IonicContact OE1-NZ 3Å
166I90Very high80.7Confident1 Ų161.5 Ų61.51%0.00530%0.301CS..Hα-helixtrans-52.2-53.6175.6-69.4158.8000110.3V89 L131 L139 I162 L163 S168 K169 T170V89-I166 HydrophobicContact CG1-CG2 4.37Å; V89-I166 HydrophobicContact CG2-CD1 4.08Å; V89-I166 HydrophobicContact CG2-CG2 4.42Å; L131-I166 HydrophobicContact CD1-CG1 3.9Å; L131-I166 HydrophobicContact CD2-CD1 4.44Å; L131-I166 HydrophobicContact CD2-CG1 3.9Å; L139-I166 HydrophobicContact CD1-CB 4.37Å; L139-I166 HydrophobicContact CD1-CG1 4.36Å; L139-I166 HydrophobicContact CD1-CG2 4.12Å; L139-I166 HydrophobicContact CD2-CG2 4.09Å; I162-I166 HydrophobicContact CG2-CD1 3.92Å; I162-I166 WeakPolarHBondContact O-CG1 3.29Å; I162-I166 PolarHBondContact O-N 3.25Å; L163-I166 HydrophobicContact CD2-CD1 4.45Å; L163-I166 PolarHBondContact O-N 3.41Å; I166-S168 VanDerWaalsContact C-N 3.3Å; I166-S168 PolarHBondContact O-N 2.72Å; I166-K169 PolarHBondContact O-N 2.93Å; I166-T170 WeakPolarHBondContact O-CG2 3.44Å; I166-T170 PolarHBondContact O-N 2.79Å
167V91.6Very high82.6Confident27 Ų2751.9 Ų51.916%0.16427%0.266CS..Hα-helixtrans-62.7-34.9179.3167.80000112.6I148 L163 E165 K169 T170 S174 I176I148-V167 HydrophobicContact CD1-CG2 3.67Å; L163-V167 PolarHBondContact O-N 2.98Å; E165-V167 VanDerWaalsContact C-N 3.34Å; E165-V167 PolarHBondContact O-N 3.22Å; V167-K169 VanDerWaalsContact C-N 3.33Å; V167-K169 PolarHBondContact O-N 3.35Å; V167-T170 PolarHBondContact O-OG1 3.1Å; V167-S174 WeakPolarHBondContact CG1-O 3.42Å; V167-I176 HydrophobicContact CB-CG1 4.36Å; V167-I176 HydrophobicContact CG2-CD1 4.28Å; V167-I176 HydrophobicContact CG2-CG1 3.75Å
168S90Very high84.2Confident83 Ų8353.3 Ų53.358%0.5827%0.266SS*.Hα-helixtrans-72-25.317876.60000114R164 E165 I166R164-S168 VanDerWaalsContact O-CB 3.3Å; R164-S168 WeakPolarHBondContact O-CB 3.24Å; R164-S168 PolarHBondContact O-N 3.44Å; R164-S168 PolarHBondContact O-OG 3.07Å; E165-S168 WeakPolarHBondContact CA-OG 3.17Å; E165-S168 PolarHBondContact O-N 2.94Å; E165-S168 PolarHBondContact O-OG 3.23Å; I166-S168 VanDerWaalsContact C-N 3.3Å; I166-S168 PolarHBondContact O-N 2.72Å
169K89.4Confident85.8Confident54 Ų5450.7 Ų50.724%0.23524%0.239CC..Hα-helixtrans-89.9-15.7-178.6-61.5-54.8179.5-177.50112.9L131 V136 L139 R140 E165 I166 V167L131-K169 HydrophobicContact CD1-CG 4.33Å; V136-K169 HydrophobicContact CG1-CD 4.12Å; V136-K169 HydrophobicContact CG1-CG 4.29Å; L139-K169 HydrophobicContact CB-CB 4.12Å; L139-K169 HydrophobicContact CD1-CB 4.17Å; R140-K169 WeakPolarHBondContact CG-O 3.26Å; E165-K169 HydrophobicContact CG-CG 4.27Å; E165-K169 WeakPolarHBondContact O-CG 3.09Å; E165-K169 PolarHBondContact O-N 3.23Å; E165-K169 WeakPolarHBondContact OE1-CE 3.09Å; E165-K169 IonicContact OE1-NZ 3Å; I166-K169 PolarHBondContact O-N 2.93Å; V167-K169 VanDerWaalsContact C-N 3.33Å; V167-K169 PolarHBondContact O-N 3.35Å
170T88.6Confident86.7Confident14 Ų1452.1 Ų52.19%0.08625%0.251CS..  trans-70.3142.3177.956.40000111.7L139 F146 I166 V167 W172 S174L139-T170 HydrophobicContact CB-CG2 4.35Å; L139-T170 HydrophobicContact CD2-CG2 3.81Å; L139-T170 WeakPolarHBondContact O-CA 3.35Å; F146-T170 HydrophobicContact CD2-CG2 3.49Å; F146-T170 VanDerWaalsContact CD2-CG2 3.49Å; F146-T170 HydrophobicContact CE2-CG2 3.82Å; F146-T170 HydrophobicContact CG-CG2 4.5Å; I166-T170 WeakPolarHBondContact O-CG2 3.44Å; I166-T170 PolarHBondContact O-N 2.79Å; V167-T170 PolarHBondContact O-OG1 3.1Å; T170-W172 PolarHBondContact OG1-O 2.75Å; T170-S174 WeakPolarHBondContact CB-OG 3.42Å; T170-S174 WeakPolarHBondContact OG1-CB 3.31Å; T170-S174 PolarHBondContact OG1-OG 2.93Å
171Q79.8Confident87.2Confident119 Ų11956.2 Ų56.256%0.55627%0.271SS*.SBendtrans-67.8-35.9178.6-175.7-178.9-5.800113.1R140R140-Q171 PolarHBondContact O-OE1 3.47Å
172W82.7Confident87.3Confident67 Ų6753 Ų5325%0.25425%0.252SS..SBendtrans-91.5169.2-175.8-6191.9000111.8L105 N143 V145 T170 S174 V222L105-W172 HydrophobicContact CD1-CD2 3.86Å; L105-W172 HydrophobicContact CD1-CE3 4.31Å; L105-W172 HydrophobicContact CD1-CG 4.15Å; L105-W172 HydrophobicContact CD1-CZ2 4.2Å; N143-W172 PolarHBondContact OD1-NE1 3.49Å; N143-W172 VanDerWaalsContact OD1-NE1 3.12Å; V145-W172 HydrophobicContact CG2-CB 3.88Å; V145-W172 HydrophobicContact CG2-CG 4.38Å; T170-W172 PolarHBondContact OG1-O 2.75Å; W172-S174 PolarHBondContact O-N 2.91Å; W172-V222 HydrophobicContact CE3-CG1 4.46Å; W172-V222 HydrophobicContact CZ3-CB 4.26Å; W172-V222 HydrophobicContact CZ3-CG1 3.86Å
173R83.6Confident87.4Confident183 Ų18355.6 Ų55.669%0.69127%0.265SS*.  trans-7264.1-178.1-68.5-175.7177.5171.41.5112.4
174S90.7Very high87.5Confident12 Ų1258.9 Ų58.98%0.08428%0.279CS..  trans-68.8149.1171.5-57.40000110.7F146 V167 T170 W172F146-S174 PolarHBondContact N-OG 3.03Å; F146-S174 CarbonylContact O-C 3.52Å; F146-S174 WeakPolarHBondContact O-CA 3.4Å; F146-S174 WeakPolarHBondContact O-CB 3.42Å; V167-S174 WeakPolarHBondContact CG1-O 3.42Å; T170-S174 WeakPolarHBondContact CB-OG 3.42Å; T170-S174 WeakPolarHBondContact OG1-CB 3.31Å; T170-S174 PolarHBondContact OG1-OG 2.93Å; W172-S174 PolarHBondContact O-N 2.91Å
175Q92.1Very high87.6Confident95 Ų9560.6 Ų60.644%0.44429%0.293SS..EExtended strand (participates in β ladder)trans-144149.7-175-65.9-176.2-7.600112.1F146 H147 I148 H177F146-Q175 PolarHBondContact O-N 3.37Å; H147-Q175 WeakPolarHBondContact CA-O 3.46Å; I148-Q175 PolarHBondContact N-O 2.97Å; Q175-H177 PolarHBondContact OE1-CE1 3.49Å
176I91.5Very high87.7Confident32 Ų3262.2 Ų62.216%0.16430%0.3CS..EExtended strand (participates in β ladder)trans-106.5123.8169.1-50.3178.6000108.1I148 C150 L163 R164 V167 Y178I148-I176 HydrophobicContact CB-CG1 4.38Å; I148-I176 HydrophobicContact CB-CG2 4.31Å; I148-I176 HydrophobicContact CD1-CG1 4.18Å; I148-I176 HydrophobicContact CG2-CG2 4.4Å; I148-I176 CarbonylContact O-C 3.57Å; I148-I176 WeakPolarHBondContact O-CA 3.16Å; C150-I176 WeakPolarHBondContact SG-CG2 3.35Å; L163-I176 HydrophobicContact CB-CD1 3.91Å; R164-I176 HydrophobicContact CB-CD1 4.36Å; R164-I176 HydrophobicContact CG-CD1 3.75Å; V167-I176 HydrophobicContact CB-CG1 4.36Å; V167-I176 HydrophobicContact CG2-CD1 4.28Å; V167-I176 HydrophobicContact CG2-CG1 3.75Å; I176-Y178 HydrophobicContact CB-CE2 3.91Å; I176-Y178 HydrophobicContact CG2-CD2 4.05Å; I176-Y178 HydrophobicContact CG2-CE1 4.17Å; I176-Y178 HydrophobicContact CG2-CE2 3.46Å; I176-Y178 VanDerWaalsContact CG2-CE2 3.46Å
177H92.2Very high87.9Confident33 Ų3362.2 Ų62.215%0.15330%0.3CS..EExtended strand (participates in β ladder)trans-104116.5178.4-56.7-78.6000108.7H147 I148 C150 Q175 C190 I194H147-H177 AromaticContact CG-NE2 3.96Å; H147-H177 AromaticContact ND1-NE2 3.25Å; H147-H177 PolarHBondContact ND1-NE2 3.25Å; I148-H177 PolarHBondContact O-N 2.82Å; C150-H177 PolarHBondContact N-O 2.83Å; Q175-H177 PolarHBondContact OE1-CE1 3.49Å; H177-C190 VanDerWaalsContact CB-SG 3.51Å; H177-I194 WeakPolarHBondContact NE2-CG1 3.46Å
178Y88.9Confident88Confident67 Ų6764.8 Ų64.826%0.26331%0.309SS..EExtended strand (participates in β ladder)trans-100.4120.9176.8-63.8-91.5000109.2C150 I176C150-Y178 HydrophobicContact CB-CD1 3.78Å; C150-Y178 HydrophobicContact CB-CE1 4.24Å; C150-Y178 HydrophobicContact CB-CG 4.4Å; I176-Y178 HydrophobicContact CB-CE2 3.91Å; I176-Y178 HydrophobicContact CG2-CD2 4.05Å; I176-Y178 HydrophobicContact CG2-CE1 4.17Å; I176-Y178 HydrophobicContact CG2-CE2 3.46Å; I176-Y178 VanDerWaalsContact CG2-CE2 3.46Å
179L86.7Confident88.2Confident3 Ų366 Ų662%0.01631%0.305CS..PPolyproline II helixtrans-70.3126.7171.1-61.5-174.2000109.3C150 L151 P153 I181 L187 C190C150-L179 PolarHBondContact O-N 3.02Å; C150-L179 VanDerWaalsContact O-N 3.14Å; L151-L179 HydrophobicContact CD2-CD1 3.86Å; P153-L179 WeakPolarHBondContact CA-O 3.4Å; L179-I181 PolarHBondContact O-N 2.93Å; L179-L187 HydrophobicContact CD1-CB 3.93Å; L179-L187 HydrophobicContact CD1-CD1 4.08Å; L179-L187 HydrophobicContact CD1-CG 4.49Å; L179-L187 HydrophobicContact CD2-CD1 4.49Å; L179-C190 HydrophobicContact CD2-CB 3.78Å
180P81.5Confident88.4Confident77 Ų7764 Ų6450%0.530%0.299SS..SBendtrans-66.3-33.2176.627.3-33.2000111.2P153 E186P153-P180 WeakPolarHBondContact CB-O 3.38Å; P180-E186 HydrophobicContact CG-CG 4.27Å; P180-E186 WeakPolarHBondContact CG-OE2 3.27Å
181I81.6Confident88.8Confident87 Ų8763.4 Ų63.445%0.44630%0.295SS..SBendtrans-141.2136.3178.3-44.5176.4000107.4L179 I183L179-I181 PolarHBondContact O-N 2.93Å; I181-I183 HydrophobicContact CB-CD1 4.26Å; I181-I183 HydrophobicContact CB-CG1 4.48Å; I181-I183 HydrophobicContact CG2-CD1 3.52Å; I181-I183 HydrophobicContact CG2-CG1 3.76Å; I181-I183 PolarHBondContact O-N 2.99Å
182S82.8Confident89.5Confident3 Ų360.8 Ų60.82%0.02129%0.285CS..  trans-77.565.2178.6-50.20000111.6L26 L151 P153L26-S182 WeakPolarHBondContact CD1-O 3.32Å; L151-S182 WeakPolarHBondContact O-CB 3.33Å; L151-S182 PolarHBondContact O-OG 3.31Å; P153-S182 WeakPolarHBondContact CD-OG 3.33Å
183I87Confident90Very high63 Ų6362.1 Ų62.132%0.32330%0.297SS..  trans-121148.7177.2-63.3167.5000108.9V18 I181 E185 E186 L187V18-I183 HydrophobicContact CG2-CG1 4.46Å; I181-I183 HydrophobicContact CB-CD1 4.26Å; I181-I183 HydrophobicContact CB-CG1 4.48Å; I181-I183 HydrophobicContact CG2-CD1 3.52Å; I181-I183 HydrophobicContact CG2-CG1 3.76Å; I181-I183 PolarHBondContact O-N 2.99Å; I183-E185 VanDerWaalsContact C-N 3.25Å; I183-E185 HydrophobicContact CG2-CB 4.4Å; I183-E185 PolarHBondContact O-N 3.03Å; I183-E186 PolarHBondContact O-N 2.83Å; I183-L187 PolarHBondContact O-N 3.37Å
184F90.4Very high90.5Very high68 Ų6853.4 Ų53.430%0.29826%0.264SS..Hα-helixtrans-54.5-36.7-179.3-62.7-73.4000113.8T21 L26 Y29 L187 K188T21-F184 HydrophobicContact CG2-CE2 3.94Å; T21-F184 HydrophobicContact CG2-CZ 4.14Å; L26-F184 HydrophobicContact CD2-CD1 3.54Å; L26-F184 HydrophobicContact CD2-CD2 4.3Å; L26-F184 HydrophobicContact CD2-CE1 3.66Å; L26-F184 HydrophobicContact CD2-CE2 4.39Å; L26-F184 HydrophobicContact CD2-CG 3.89Å; L26-F184 HydrophobicContact CD2-CZ 4.09Å; L26-F184 HydrophobicContact CG-CE1 4.31Å; Y29-F184 HydrophobicContact CD1-CB 4.21Å; Y29-F184 AromaticContact CD1-CD1 3.48Å; Y29-F184 HydrophobicContact CD1-CD1 3.48Å; Y29-F184 VanDerWaalsContact CD1-CD1 3.48Å; Y29-F184 HydrophobicContact CD1-CE1 4.33Å; Y29-F184 HydrophobicContact CD1-CG 4.3Å; Y29-F184 HydrophobicContact CD2-CD1 4.03Å; Y29-F184 HydrophobicContact CD2-CE1 4.42Å; Y29-F184 HydrophobicContact CE1-CB 3.98Å; Y29-F184 HydrophobicContact CE1-CD1 4.09Å; Y29-F184 AromaticContact CG-CD1 3.43Å; Y29-F184 HydrophobicContact CG-CD1 3.43Å; Y29-F184 VanDerWaalsContact CG-CD1 3.43Å; Y29-F184 AromaticContact CG-CE1 3.88Å; Y29-F184 HydrophobicContact CG-CE1 3.88Å; Y29-F184 HydrophobicContact CG-CG 4.46Å; F184-L187 PolarHBondContact O-N 3.14Å; F184-K188 VanDerWaalsContact O-CB 3.3Å; F184-K188 WeakPolarHBondContact O-CB 3.35Å; F184-K188 PolarHBondContact O-N 3.25Å
185E91.2Very high90.6Very high154 Ų15452.9 Ų52.972%0.7226%0.26SS*.Hα-helixtrans-67.4-44.7-177.8-67.116217300112.7I183 K188 Q189I183-E185 VanDerWaalsContact C-N 3.25Å; I183-E185 HydrophobicContact CG2-CB 4.4Å; I183-E185 PolarHBondContact O-N 3.03Å; E185-K188 WeakPolarHBondContact O-CB 3.31Å; E185-K188 PolarHBondContact O-N 2.98Å; E185-Q189 PolarHBondContact O-N 2.97Å
186E89.9Confident90.5Very high65 Ų6549.8 Ų49.830%0.30425%0.254SS..Hα-helixtrans-65.8-41.4175.8-74.4-68.9157.800111.2P180 I183 K188 Q189 C190P180-E186 HydrophobicContact CG-CG 4.27Å; P180-E186 WeakPolarHBondContact CG-OE2 3.27Å; I183-E186 PolarHBondContact O-N 2.83Å; E186-K188 VanDerWaalsContact C-N 3.32Å; E186-K188 PolarHBondContact O-N 3.09Å; E186-Q189 PolarHBondContact O-N 3.04Å; E186-C190 WeakPolarHBondContact O-CB 3.42Å; E186-C190 PolarHBondContact O-N 3.39Å
187L93.1Very high90.4Very high0 Ų053 Ų530%028%0.275CS..Hα-helixtrans-61.3-43.2174.6177.556000111.4L26 F111 I149 L151 L179 I183 F184 Q189 C190 I191L26-L187 HydrophobicContact CB-CD2 4.27Å; L26-L187 WeakPolarHBondContact O-CD2 3.2Å; F111-L187 HydrophobicContact CE1-CD1 4.2Å; I149-L187 HydrophobicContact CG2-CD1 3.81Å; L151-L187 HydrophobicContact CD2-CD1 4.05Å; L151-L187 HydrophobicContact CD2-CD2 4.17Å; L179-L187 HydrophobicContact CD1-CB 3.93Å; L179-L187 HydrophobicContact CD1-CD1 4.08Å; L179-L187 HydrophobicContact CD1-CG 4.49Å; L179-L187 HydrophobicContact CD2-CD1 4.49Å; I183-L187 PolarHBondContact O-N 3.37Å; F184-L187 PolarHBondContact O-N 3.14Å; L187-Q189 PolarHBondContact O-N 3.43Å; L187-C190 WeakPolarHBondContact O-CB 3.27Å; L187-C190 PolarHBondContact O-N 2.87Å; L187-I191 HydrophobicContact CD1-CD1 3.89Å; L187-I191 HydrophobicContact CD1-CG1 4.22Å; L187-I191 HydrophobicContact CG-CD1 3.94Å; L187-I191 WeakPolarHBondContact O-CG1 3.23Å; L187-I191 PolarHBondContact O-N 3.32Å
188K94.2Very high90.1Very high82 Ų8253.3 Ų53.336%0.35728%0.276SS..Hα-helixtrans-58.7-47.7175.4-170.7-171.4174.9-179.40111.4Y33 F184 E185 E186 C190 I191 D192Y33-K188 HydrophobicContact CD1-CG 3.94Å; Y33-K188 HydrophobicContact CD2-CG 4.4Å; Y33-K188 HydrophobicContact CE1-CB 4.31Å; Y33-K188 HydrophobicContact CE1-CD 4.47Å; Y33-K188 HydrophobicContact CE1-CG 3.38Å; Y33-K188 HydrophobicContact CE2-CD 4.18Å; Y33-K188 HydrophobicContact CE2-CG 3.88Å; Y33-K188 HydrophobicContact CG-CG 4.43Å; Y33-K188 VanDerWaalsContact CZ-CE 3.43Å; Y33-K188 WeakPolarHBondContact OH-CE 3.49Å; F184-K188 VanDerWaalsContact O-CB 3.3Å; F184-K188 WeakPolarHBondContact O-CB 3.35Å; F184-K188 PolarHBondContact O-N 3.25Å; E185-K188 WeakPolarHBondContact O-CB 3.31Å; E185-K188 PolarHBondContact O-N 2.98Å; E186-K188 VanDerWaalsContact C-N 3.32Å; E186-K188 PolarHBondContact O-N 3.09Å; K188-C190 PolarHBondContact O-N 3.4Å; K188-I191 PolarHBondContact O-N 3.37Å; K188-D192 WeakPolarHBondContact O-CB 3.36Å; K188-D192 PolarHBondContact O-N 3.09Å
189Q94.4Very high90.1Very high107 Ų10750.5 Ų50.550%0.527%0.265SS..Hα-helixtrans-63.3-40.7177.7-173.2177.86.800112.2E185 E186 L187 D192 N193E185-Q189 PolarHBondContact O-N 2.97Å; E186-Q189 PolarHBondContact O-N 3.04Å; L187-Q189 PolarHBondContact O-N 3.43Å; Q189-D192 PolarHBondContact O-N 2.9Å; Q189-N193 PolarHBondContact O-N 3.18Å; Q189-N193 PolarHBondContact O-ND2 2.94Å
190C94Very high90.1Very high14 Ų1453.2 Ų53.210%0.09528%0.284CS..Hα-helixtrans-59.1-47.2174.3177.40000111.5H177 L179 E186 L187 K188 N193 I194H177-C190 VanDerWaalsContact CB-SG 3.51Å; L179-C190 HydrophobicContact CD2-CB 3.78Å; E186-C190 WeakPolarHBondContact O-CB 3.42Å; E186-C190 PolarHBondContact O-N 3.39Å; L187-C190 WeakPolarHBondContact O-CB 3.27Å; L187-C190 PolarHBondContact O-N 2.87Å; K188-C190 PolarHBondContact O-N 3.4Å; C190-N193 WeakPolarHBondContact O-CB 3.29Å; C190-N193 PolarHBondContact O-N 2.49Å; C190-I194 WeakPolarHBondContact O-CG1 3.45Å; C190-I194 PolarHBondContact O-N 3.32Å
191I95.8Very high90.4Very high0 Ų050.9 Ų50.90%027%0.269CS..Hα-helixtrans-63.5-45176.6-69.4163.9000111G30 Y33 L34 I149 L187 K188 N193 I194 V195G30-I191 WeakPolarHBondContact O-CD1 3.3Å; Y33-I191 HydrophobicContact CD1-CB 3.99Å; Y33-I191 HydrophobicContact CD1-CD1 4.01Å; Y33-I191 HydrophobicContact CD1-CG2 3.66Å; Y33-I191 HydrophobicContact CE1-CB 4.22Å; Y33-I191 HydrophobicContact CE1-CG2 3.92Å; L34-I191 HydrophobicContact CB-CD1 4.35Å; L34-I191 HydrophobicContact CB-CG2 4.03Å; L34-I191 HydrophobicContact CD1-CG2 3.79Å; I149-I191 HydrophobicContact CD1-CG1 4.35Å; L187-I191 HydrophobicContact CD1-CD1 3.89Å; L187-I191 HydrophobicContact CD1-CG1 4.22Å; L187-I191 HydrophobicContact CG-CD1 3.94Å; L187-I191 WeakPolarHBondContact O-CG1 3.23Å; L187-I191 PolarHBondContact O-N 3.32Å; K188-I191 PolarHBondContact O-N 3.37Å; I191-N193 PolarHBondContact O-N 3.12Å; I191-I194 PolarHBondContact O-N 2.84Å; I191-V195 HydrophobicContact CG2-CG2 3.95Å; I191-V195 WeakPolarHBondContact O-CB 3.3Å; I191-V195 VanDerWaalsContact O-CG2 3.27Å; I191-V195 WeakPolarHBondContact O-CG2 3.1Å; I191-V195 PolarHBondContact O-N 3.15Å
192D95Very high90.9Very high65 Ų6548.7 Ų48.735%0.34826%0.258SS..Hα-helixtrans-59.3-36.1178-75.8-24.4000111.9Y33 K188 Q189 G196Y33-D192 VanDerWaalsContact CE1-OD1 3.28Å; Y33-D192 WeakPolarHBondContact CE1-OD1 3.31Å; Y33-D192 VanDerWaalsContact OH-CG 3.28Å; Y33-D192 PolarHBondContact OH-OD1 2.92Å; Y33-D192 PolarHBondContact OH-OD2 2.64Å; K188-D192 WeakPolarHBondContact O-CB 3.36Å; K188-D192 PolarHBondContact O-N 3.09Å; Q189-D192 PolarHBondContact O-N 2.9Å; D192-G196 VanDerWaalsContact O-CA 3.32Å; D192-G196 WeakPolarHBondContact O-CA 3.46Å; D192-G196 PolarHBondContact O-N 3.17Å
193N94Very high91.3Very high94 Ų9455.4 Ų55.450%0.50329%0.289SS..Hα-helixtrans-66.5-49.7174-70.2-25.9000111.6Q189 C190 I191 V195 G196 T197Q189-N193 PolarHBondContact O-N 3.18Å; Q189-N193 PolarHBondContact O-ND2 2.94Å; C190-N193 WeakPolarHBondContact O-CB 3.29Å; C190-N193 PolarHBondContact O-N 2.49Å; I191-N193 PolarHBondContact O-N 3.12Å; N193-V195 VanDerWaalsContact C-N 3.35Å; N193-V195 PolarHBondContact O-N 3.36Å; N193-G196 CarbonylContact O-C 3.5Å; N193-G196 WeakPolarHBondContact O-CA 3.33Å; N193-G196 PolarHBondContact O-N 3.49Å; N193-G196 VanDerWaalsContact O-N 3.1Å; N193-T197 WeakPolarHBondContact O-CG2 3.39Å; N193-T197 PolarHBondContact O-N 3.29Å; N193-T197 PolarHBondContact O-OG1 2.7Å
194I93.4Very high91.6Very high1 Ų153.6 Ų53.61%0.00528%0.281CS..Hα-helixtrans-59.1-48.7177.4-64.6166.1000110.1H147 I149 H177 C190 I191 G196 T197 E198H147-I194 HydrophobicContact CB-CD1 4.4Å; I149-I194 HydrophobicContact CD1-CD1 3.79Å; I149-I194 HydrophobicContact CG1-CD1 3.95Å; H177-I194 WeakPolarHBondContact NE2-CG1 3.46Å; C190-I194 WeakPolarHBondContact O-CG1 3.45Å; C190-I194 PolarHBondContact O-N 3.32Å; I191-I194 PolarHBondContact O-N 2.84Å; I194-G196 PolarHBondContact O-N 3.01Å; I194-T197 PolarHBondContact O-N 3.35Å; I194-T197 PolarHBondContact O-OG1 3.44Å; I194-T197 VanDerWaalsContact O-OG1 3.07Å; I194-E198 HydrophobicContact CG2-CG 4.42Å; I194-E198 VanDerWaalsContact O-CB 3.31Å; I194-E198 WeakPolarHBondContact O-CB 3.41Å; I194-E198 PolarHBondContact O-N 3.06Å
195V93.2Very high91.8Very high1 Ų153 Ų531%0.00628%0.283CS..Hα-helixtrans-65.6-30.6178.3179.30000110.9L34 I38 K41 I191 N193 Y199L34-V195 HydrophobicContact CD1-CG2 3.81Å; I38-V195 HydrophobicContact CG1-CG2 4.15Å; K41-V195 HydrophobicContact CD-CG1 3.67Å; K41-V195 HydrophobicContact CG-CG1 4.18Å; K41-V195 PolarHBondContact NZ-O 2.87Å; I191-V195 HydrophobicContact CG2-CG2 3.95Å; I191-V195 WeakPolarHBondContact O-CB 3.3Å; I191-V195 VanDerWaalsContact O-CG2 3.27Å; I191-V195 WeakPolarHBondContact O-CG2 3.1Å; I191-V195 PolarHBondContact O-N 3.15Å; N193-V195 VanDerWaalsContact C-N 3.35Å; N193-V195 PolarHBondContact O-N 3.36Å; V195-Y199 HydrophobicContact CB-CD2 4.45Å; V195-Y199 HydrophobicContact CG1-CD2 4.47Å; V195-Y199 HydrophobicContact CG2-CD2 4.39Å; V195-Y199 PolarHBondContact O-N 2.9Å
196G90.6Very high92Very high30 Ų3045.7 Ų45.731%0.30925%0.249SC..Hα-helixtrans-61.3-43.9171.500000114.3K41 D192 N193 I194 C200K41-G196 VanDerWaalsContact NZ-N 3.2Å; D192-G196 VanDerWaalsContact O-CA 3.32Å; D192-G196 WeakPolarHBondContact O-CA 3.46Å; D192-G196 PolarHBondContact O-N 3.17Å; N193-G196 CarbonylContact O-C 3.5Å; N193-G196 WeakPolarHBondContact O-CA 3.33Å; N193-G196 PolarHBondContact O-N 3.49Å; N193-G196 VanDerWaalsContact O-N 3.1Å; I194-G196 PolarHBondContact O-N 3.01Å; G196-C200 VanDerWaalsContact O-CB 3.27Å; G196-C200 WeakPolarHBondContact O-CB 3.25Å
197T87.9Confident92.2Very high99 Ų9944.7 Ų44.761%0.60724%0.244SC*.Hα-helixtrans-87.7-41.2-174.953.50000112.3N193 I194N193-T197 WeakPolarHBondContact O-CG2 3.39Å; N193-T197 PolarHBondContact O-N 3.29Å; N193-T197 PolarHBondContact O-OG1 2.7Å; I194-T197 PolarHBondContact O-N 3.35Å; I194-T197 PolarHBondContact O-OG1 3.44Å; I194-T197 VanDerWaalsContact O-OG1 3.07Å
198E87.3Confident92.4Very high40 Ų4046 Ų4619%0.18725%0.253CS..Hα-helixtrans-93.5-37.2-166.1-71.3-58.1136.200114.2R107 H147 I194R107-E198 IonicContact CZ-OE2 2.6Å; R107-E198 IonicContact NE-OE2 3.28Å; R107-E198 PolarHBondContact NE-OE2 3.01Å; R107-E198 PolarHBondContact NH2-O 3.08Å; R107-E198 IonicContact NH2-OE2 2.78Å; H147-E198 IonicContact CE1-OE1 2.63Å; H147-E198 VanDerWaalsContact NE2-CG 3.29Å; H147-E198 WeakPolarHBondContact NE2-CG 3.19Å; H147-E198 IonicContact NE2-OE1 3.36Å; I194-E198 HydrophobicContact CG2-CG 4.42Å; I194-E198 VanDerWaalsContact O-CB 3.31Å; I194-E198 WeakPolarHBondContact O-CB 3.41Å; I194-E198 PolarHBondContact O-N 3.06Å
199Y88.9Confident92.3Very high8 Ų844.1 Ų44.13%0.03126%0.257CS..SBendtrans-1098.6-171.3-56.2-98.5000112.2T3 I38 E45 R107 I109 V195 P201T3-Y199 WeakPolarHBondContact CG2-OH 3.41Å; T3-Y199 WeakPolarHBondContact OG1-CE1 3.33Å; T3-Y199 PolarHBondContact OG1-OH 3.36Å; I38-Y199 HydrophobicContact CD1-CE1 3.96Å; I38-Y199 HydrophobicContact CD1-CE2 4.29Å; I38-Y199 HydrophobicContact CG1-CD1 4.19Å; I38-Y199 HydrophobicContact CG1-CD2 4.36Å; I38-Y199 HydrophobicContact CG1-CE1 3.95Å; I38-Y199 HydrophobicContact CG1-CE2 4.1Å; I38-Y199 HydrophobicContact CG1-CG 4.37Å; I38-Y199 HydrophobicContact CG2-CD1 3.88Å; I38-Y199 HydrophobicContact CG2-CE1 3.9Å; E45-Y199 HydrophobicContact CG-CD1 4.43Å; E45-Y199 HydrophobicContact CG-CE1 4.06Å; R107-Y199 VanDerWaalsContact CD-CZ 3.45Å; R107-Y199 WeakPolarHBondContact CD-OH 3.44Å; I109-Y199 WeakPolarHBondContact CD1-OH 3.21Å; V195-Y199 HydrophobicContact CB-CD2 4.45Å; V195-Y199 HydrophobicContact CG1-CD2 4.47Å; V195-Y199 HydrophobicContact CG2-CD2 4.39Å; V195-Y199 PolarHBondContact O-N 2.9Å; Y199-P201 WeakPolarHBondContact O-CD 3.18Å
200C86.9Confident92.2Very high59 Ų5946.8 Ų46.840%0.39927%0.274SS..  trans-74.3121.7176.4-163.40000109.3G196G196-C200 VanDerWaalsContact O-CB 3.27Å; G196-C200 WeakPolarHBondContact O-CB 3.25Å
201P87.9Confident92.2Very high28 Ų2850.4 Ų50.418%0.18229%0.292CS..  trans-62.7143.7174.326.3-34000110.4Y199 Q203 N216 V218Y199-P201 WeakPolarHBondContact O-CD 3.18Å; P201-Q203 PolarHBondContact O-N 3.36Å; P201-N216 HydrophobicContact CB-CB 4.03Å; P201-V218 HydrophobicContact CB-CG2 3.89Å
202L90.3Very high92.1Very high42 Ų4257.9 Ų57.922%0.2232%0.321CS..EExtended strand (participates in β ladder)trans-78.9108.2172.3174.963.3000109N216 I217 L221 F237L202-N216 WeakPolarHBondContact O-CA 3.46Å; L202-I217 HydrophobicContact CB-CB 4.19Å; L202-I217 HydrophobicContact CD2-CD1 4.06Å; L202-I217 PolarHBondContact N-O 3.48Å; L202-I217 VanDerWaalsContact N-O 3.13Å; L202-I217 PolarHBondContact O-N 2.76Å; L202-L221 HydrophobicContact CD2-CB 3.98Å; L202-L221 HydrophobicContact CD2-CD1 4.07Å; L202-L221 HydrophobicContact CD2-CG 4.3Å; L202-F237 HydrophobicContact CD2-CB 4.42Å; L202-F237 HydrophobicContact CD2-CD1 3.73Å; L202-F237 HydrophobicContact CD2-CD2 4.4Å; L202-F237 HydrophobicContact CD2-CE1 4.03Å; L202-F237 HydrophobicContact CD2-CG 3.91Å; L202-F237 HydrophobicContact CD2-CZ 4.49Å
203Q91.8Very high92Very high143 Ų14355.4 Ų55.467%0.66831%0.308SS*.EExtended strand (participates in β ladder)trans-79.4124.8176.7-58.2-172.5-2000109.6P201P201-Q203 PolarHBondContact O-N 3.36Å
204T93.6Very high91.9Very high25 Ų2556.3 Ų56.315%0.15331%0.313CS..EExtended strand (participates in β ladder)trans-150173.3179.6-166.90000111.6V215 I217 F237 L240T204-V215 HydrophobicContact CG2-CG2 3.75Å; T204-V215 PolarHBondContact N-O 3.12Å; T204-V215 PolarHBondContact O-N 2.82Å; T204-I217 HydrophobicContact CG2-CD1 3.75Å; T204-I217 HydrophobicContact CG2-CG1 3.99Å; T204-F237 HydrophobicContact CG2-CZ 3.96Å; T204-F237 WeakPolarHBondContact OG1-CZ 3.29Å; T204-L240 HydrophobicContact CG2-CB 4.2Å; T204-L240 HydrophobicContact CG2-CD2 4.17Å
205V94.3Very high91.9Very high57 Ų5756.3 Ų56.335%0.34531%0.313SS..EExtended strand (participates in β ladder)trans-107.8120.3176.3-176.70000108.3Q207 R212V205-Q207 PolarHBondContact O-N 3.25Å; V205-R212 HydrophobicContact CG1-CB 3.9Å; V205-R212 HydrophobicContact CG1-CG 4.27Å
206L94.9Very high91.9Very high0 Ų057.3 Ų57.30%032%0.318CS..EExtended strand (participates in β ladder)trans-78.7117.5168.3175.764.6000108.5R212 C213 V215 L240 I242 F280 L284L206-R212 WeakPolarHBondContact O-CA 3.29Å; L206-C213 PolarHBondContact N-O 3.11Å; L206-C213 PolarHBondContact O-N 3.07Å; L206-V215 HydrophobicContact CB-CG1 4.07Å; L206-V215 HydrophobicContact CB-CG2 3.93Å; L206-L240 HydrophobicContact CB-CD2 4.15Å; L206-L240 HydrophobicContact CD1-CD2 3.72Å; L206-L240 HydrophobicContact CD1-CG 3.66Å; L206-I242 HydrophobicContact CD1-CD1 4.03Å; L206-I242 HydrophobicContact CD1-CG1 3.84Å; L206-I242 HydrophobicContact CG-CD1 4.49Å; L206-F280 HydrophobicContact CD2-CE1 4.1Å; L206-F280 HydrophobicContact CG-CE1 4.06Å; L206-L284 HydrophobicContact CD2-CD2 3.66Å
207Q95.8Very high91.9Very high43 Ų4355.9 Ų55.920%0.20130%0.303CS..EExtended strand (participates in β ladder)trans-114.2136.3-178-178.5171.6-18.200111.5V205 G209 L211 R212 L240 E241 I242V205-Q207 PolarHBondContact O-N 3.25Å; Q207-G209 WeakPolarHBondContact CG-O 3.49Å; Q207-G209 PolarHBondContact NE2-O 2.88Å; Q207-L211 CarbonylContact C-O 3.48Å; Q207-L211 WeakPolarHBondContact CA-O 3.27Å; Q207-R212 HydrophobicContact CB-CG 4.33Å; Q207-R212 HydrophobicContact CG-CG 4.07Å; Q207-L240 PolarHBondContact N-O 2.72Å; Q207-E241 CarbonylContact O-C 3.56Å; Q207-E241 WeakPolarHBondContact O-CA 3.4Å; Q207-I242 PolarHBondContact O-N 3.05Å
208C95.3Very high92Very high28 Ų2852 Ų5219%0.18928%0.28CS..EExtended strand (participates in β ladder)trans-135.991.7170.3-178.30000108.4N210 L211 I242 F280C208-N210 PolarHBondContact O-N 2.79Å; C208-N210 VanDerWaalsContact O-N 3.1Å; C208-L211 HydrophobicContact CB-CB 4.4Å; C208-L211 PolarHBondContact N-O 2.9Å; C208-L211 WeakPolarHBondContact O-CB 3.38Å; C208-L211 PolarHBondContact O-N 3.43Å; C208-I242 HydrophobicContact CB-CB 3.99Å; C208-I242 HydrophobicContact CB-CD1 3.96Å; C208-I242 HydrophobicContact CB-CG1 4.22Å; C208-F280 HydrophobicContact CB-CE1 3.86Å; C208-F280 HydrophobicContact CB-CE2 4.27Å; C208-F280 HydrophobicContact CB-CZ 3.4Å
209G92.6Very high92Very high43 Ų4351.5 Ų51.544%0.44328%0.28SS..THydrogen-bonded Turntrans57.6-114.6-168.600000111Q207Q207-G209 WeakPolarHBondContact CG-O 3.49Å; Q207-G209 PolarHBondContact NE2-O 2.88Å
210N93.2Very high91.9Very high163 Ų16353.1 Ų53.187%0.87229%0.293SS*.THydrogen-bonded Turntrans-88.2-11.6178.3-67.3-20.7000114C208C208-N210 PolarHBondContact O-N 2.79Å; C208-N210 VanDerWaalsContact O-N 3.1Å
211L93.6Very high91.9Very high90 Ų9051 Ų5147%0.47128%0.277SS..EExtended strand (participates in β ladder)trans-81.4130.3176.9-58.4175.2000109.1Q207 C208 F280Q207-L211 CarbonylContact C-O 3.48Å; Q207-L211 WeakPolarHBondContact CA-O 3.27Å; C208-L211 HydrophobicContact CB-CB 4.4Å; C208-L211 PolarHBondContact N-O 2.9Å; C208-L211 WeakPolarHBondContact O-CB 3.38Å; C208-L211 PolarHBondContact O-N 3.43Å; L211-F280 HydrophobicContact CB-CD1 4.19Å; L211-F280 HydrophobicContact CB-CD2 3.82Å; L211-F280 HydrophobicContact CB-CE1 4.31Å; L211-F280 HydrophobicContact CB-CE2 3.95Å; L211-F280 HydrophobicContact CB-CG 3.96Å; L211-F280 HydrophobicContact CB-CZ 4.2Å; L211-F280 HydrophobicContact CD1-CD2 3.78Å; L211-F280 HydrophobicContact CD1-CE2 3.65Å; L211-F280 HydrophobicContact CD1-CZ 4.49Å; L211-F280 HydrophobicContact CG-CD2 4.35Å; L211-F280 HydrophobicContact CG-CE2 4.45Å
212R93.4Very high91.6Very high157 Ų15753 Ų5359%0.59229%0.288SS*.EExtended strand (participates in β ladder)trans-138.9142.2-177.5-65.5-179.2179.7176.3-3.4110.5V205 L206 Q207V205-R212 HydrophobicContact CG1-CB 3.9Å; V205-R212 HydrophobicContact CG1-CG 4.27Å; L206-R212 WeakPolarHBondContact O-CA 3.29Å; Q207-R212 HydrophobicContact CB-CG 4.33Å; Q207-R212 HydrophobicContact CG-CG 4.07Å
213C92.4Very high91.4Very high12 Ų1253.8 Ų53.88%0.08130%0.296CS..EExtended strand (participates in β ladder)trans-147.7144166.962.50000112.2L206 F280L206-C213 PolarHBondContact N-O 3.11Å; L206-C213 PolarHBondContact O-N 3.07Å; C213-F280 HydrophobicContact CB-CB 4.12Å; C213-F280 HydrophobicContact CB-CD1 4.37Å
214D93.5Very high91Very high113 Ų11347.2 Ų47.260%0.60427%0.266SS*.EExtended strand (participates in β ladder)trans-73.6127.7174.4-55.4-36.3000110.2T264D214-T264 PolarHBondContact O-OG1 3.33Å
215V93Very high90.5Very high2 Ų252.9 Ų52.91%0.01229%0.285CS..EExtended strand (participates in β ladder)trans-135.8153.4-178.5-61.60000110.9T204 L206 L240 L262 C263 Y281T204-V215 HydrophobicContact CG2-CG2 3.75Å; T204-V215 PolarHBondContact N-O 3.12Å; T204-V215 PolarHBondContact O-N 2.82Å; L206-V215 HydrophobicContact CB-CG1 4.07Å; L206-V215 HydrophobicContact CB-CG2 3.93Å; V215-L240 HydrophobicContact CG2-CD2 4.08Å; V215-L262 HydrophobicContact CG2-CD2 4.5Å; V215-C263 CarbonylContact C-O 3.6Å; V215-C263 WeakPolarHBondContact CA-O 3.5Å; V215-Y281 HydrophobicContact CG1-CD2 4Å
216N92.2Very high90Very high21 Ų2153.1 Ų53.111%0.11228%0.279CS..EExtended strand (participates in β ladder)trans-110.6128.1174-63.5-27.9000108.2P201 L202 L262 C263 N265P201-N216 HydrophobicContact CB-CB 4.03Å; L202-N216 WeakPolarHBondContact O-CA 3.46Å; N216-L262 WeakPolarHBondContact O-CA 3.38Å; N216-C263 HydrophobicContact CB-CB 4.49Å; N216-C263 PolarHBondContact N-O 2.86Å; N216-C263 PolarHBondContact O-N 2.97Å; N216-N265 PolarHBondContact ND2-OD1 3.33Å
217I91.9Very high89.3Confident0 Ų060.2 Ų60.20%031%0.311CS..EExtended strand (participates in β ladder)trans-94.3120174-51.2177.9000108.3L202 T204 P219 L221 F237 L240 H260 L262 L320L202-I217 HydrophobicContact CB-CB 4.19Å; L202-I217 HydrophobicContact CD2-CD1 4.06Å; L202-I217 PolarHBondContact N-O 3.48Å; L202-I217 VanDerWaalsContact N-O 3.13Å; L202-I217 PolarHBondContact O-N 2.76Å; T204-I217 HydrophobicContact CG2-CD1 3.75Å; T204-I217 HydrophobicContact CG2-CG1 3.99Å; I217-P219 CarbonylContact C-O 3.56Å; I217-P219 CarbonylContact O-C 3.59Å; I217-L221 HydrophobicContact CD1-CD1 3.89Å; I217-L221 HydrophobicContact CG2-CG 4.33Å; I217-F237 HydrophobicContact CD1-CE2 4.07Å; I217-F237 HydrophobicContact CD1-CZ 4.24Å; I217-L240 HydrophobicContact CD1-CD2 4.43Å; I217-H260 HydrophobicContact CG2-CB 3.49Å; I217-H260 VanDerWaalsContact CG2-CB 3.49Å; I217-L262 HydrophobicContact CB-CD2 4.41Å; I217-L262 HydrophobicContact CD1-CD2 4.44Å; I217-L262 HydrophobicContact CG1-CD2 3.66Å; I217-L320 HydrophobicContact CD1-CD2 3.93Å; I217-L320 HydrophobicContact CG1-CD2 4.48Å; I217-L320 HydrophobicContact CG2-CD2 4.09Å
218V89.1Confident88.5Confident18 Ų1861.8 Ų61.811%0.10932%0.323CS..EExtended strand (participates in β ladder)trans-126.6119.5-177.4-176.20000110.4D42 P201 H260 I261D42-V218 WeakPolarHBondContact OD2-CG1 3.46Å; P201-V218 HydrophobicContact CB-CG2 3.89Å; V218-H260 CarbonylContact O-C 3.54Å; V218-I261 PolarHBondContact N-O 3.45Å; V218-I261 PolarHBondContact O-N 2.86Å
219P86.5Confident87.8Confident29 Ų2965.5 Ų65.519%0.18836%0.356CS..SBendcis-71.2169.1-533.4-38.2000112.6M1 I217 H260M1-P219 HydrophobicContact CG-CB 3.91Å; M1-P219 HydrophobicContact CG-CG 3.75Å; M1-P219 HydrophobicContact SD-CB 3.09Å; M1-P219 WeakPolarHBondContact SD-CB 3.39Å; M1-P219 HydrophobicContact SD-CG 3.42Å; M1-P219 WeakPolarHBondContact SD-CG 2.83Å; I217-P219 CarbonylContact C-O 3.56Å; I217-P219 CarbonylContact O-C 3.59Å; P219-H260 PolarHBondContact O-ND1 3.5Å
220S86.8Confident87.4Confident43 Ų4365.9 Ų65.930%0.30136%0.36SS..PPolyproline II helixtrans-59147.8175.3-173.50000112.1V222S220-V222 PolarHBondContact O-N 3Å
221L87.4Confident87Confident13 Ų1362.9 Ų62.97%0.06835%0.347CS..PPolyproline II helixtrans-74.2124.9175.2-75.3165.6000110L202 I217 F237 H260 W303 L320 C322L202-L221 HydrophobicContact CD2-CB 3.98Å; L202-L221 HydrophobicContact CD2-CD1 4.07Å; L202-L221 HydrophobicContact CD2-CG 4.3Å; I217-L221 HydrophobicContact CD1-CD1 3.89Å; I217-L221 HydrophobicContact CG2-CG 4.33Å; L221-F237 HydrophobicContact CB-CB 4.36Å; L221-F237 HydrophobicContact CD1-CB 4.14Å; L221-F237 HydrophobicContact CD1-CD2 3.3Å; L221-F237 HydrophobicContact CD1-CE2 3.92Å; L221-F237 HydrophobicContact CD1-CG 3.91Å; L221-H260 WeakPolarHBondContact CD2-NE2 3.48Å; L221-W303 HydrophobicContact CD2-CH2 4.28Å; L221-L320 HydrophobicContact CD1-CD2 4.41Å; L221-C322 VanDerWaalsContact CD2-SG 3.57Å
222V82.1Confident86.6Confident70 Ų7062.9 Ų62.942%0.42435%0.351SS..PPolyproline II helixtrans-93.2135176.3-173.60000109.3W172 S220 C224W172-V222 HydrophobicContact CE3-CG1 4.46Å; W172-V222 HydrophobicContact CZ3-CB 4.26Å; W172-V222 HydrophobicContact CZ3-CG1 3.86Å; S220-V222 PolarHBondContact O-N 3Å; V222-C224 PolarHBondContact O-N 2.77Å
223P85Confident86.4Confident59 Ų5958.5 Ų58.538%0.38334%0.336SS..PPolyproline II helixtrans-53.5133.3173.2-28.235.9000112E234 Y235P223-E234 HydrophobicContact CB-CG 4.38Å; P223-Y235 CarbonylContact C-O 3.57Å; P223-Y235 WeakPolarHBondContact CA-O 3.36Å
224C83.3Confident86.2Confident6 Ų662.2 Ų62.24%0.04135%0.352CS..EExtended strand (participates in β ladder)trans-105.2123.6-175.1-178.80000110.2V222 R226 Y235 F257 P325V222-C224 PolarHBondContact O-N 2.77Å; C224-R226 PolarHBondContact SG-NH1 2.81Å; C224-Y235 PolarHBondContact N-O 2.73Å; C224-Y235 PolarHBondContact O-N 2.83Å; C224-F257 HydrophobicContact CB-CE1 4.42Å; C224-P325 HydrophobicContact CB-CG 4.15Å
225R84.1Confident86Confident143 Ų14357.6 Ų57.654%0.5433%0.326SS..EExtended strand (participates in β ladder)trans-101.9130.4175.8-65.4177.5-177.6-170.8-7.9110T232 K233 E234R225-T232 HydrophobicContact CB-CG2 4.24Å; R225-K233 WeakPolarHBondContact CA-O 3.37Å; R225-E234 HydrophobicContact CG-CB 4.2Å; R225-E234 HydrophobicContact CG-CG 3.96Å; R225-E234 IonicContact CZ-OE1 3.93Å; R225-E234 VanDerWaalsContact CZ-OE1 3.27Å; R225-E234 IonicContact NE-OE1 3.59Å; R225-E234 PolarHBondContact NE-OE1 3.25Å; R225-E234 IonicContact NE-OE2 3.79Å; R225-E234 IonicContact NH2-OE1 3.94Å; R225-E234 PolarHBondContact NH2-OE1 3.16Å; R225-E234 IonicContact NH2-OE2 3.04Å
226R83.1Confident85.9Confident62 Ų6260.6 Ų60.623%0.23435%0.347CS..EExtended strand (participates in β ladder)trans-131.3140.9176.2-68.5-62.2-174.1-95.6-6.5111.3C224 V228 T232 K233 Y235 E324C224-R226 PolarHBondContact SG-NH1 2.81Å; R226-V228 HydrophobicContact CB-CG2 3.97Å; R226-T232 CarbonylContact O-C 3.59Å; R226-T232 WeakPolarHBondContact O-CA 3.41Å; R226-K233 PolarHBondContact N-O 2.87Å; R226-K233 PolarHBondContact O-N 3.13Å; R226-Y235 HydrophobicContact CB-CE2 4.12Å; R226-Y235 HydrophobicContact CG-CE2 4.37Å; R226-E324 IonicContact CZ-OE1 3.94Å; R226-E324 IonicContact CZ-OE2 3.84Å; R226-E324 IonicContact NE-OE1 3.96Å; R226-E324 PolarHBondContact NE-OE1 2.85Å; R226-E324 VanDerWaalsContact NH2-CD 3.32Å; R226-E324 IonicContact NH2-OE1 3.98Å; R226-E324 PolarHBondContact NH2-OE1 2.82Å; R226-E324 IonicContact NH2-OE2 2.86Å; R226-E324 PolarHBondContact NH2-OE2 3.34Å
227F80.9Confident85.9Confident150 Ų15061.8 Ų61.866%0.65835%0.351SS*.EExtended strand (participates in β ladder)trans-90.9106172.2-166.6-102.2000108.3G230F227-G230 VanDerWaalsContact CE2-C 3.5Å; F227-G230 WeakPolarHBondContact CE2-O 3.42Å; F227-G230 VanDerWaalsContact CZ-C 3.46Å; F227-G230 WeakPolarHBondContact CZ-O 3.36Å
228V79.7Confident85.9Confident75 Ų7567.5 Ų67.546%0.45538%0.382SS..EExtended strand (participates in β ladder)trans-123.2124-177.4-175.70000107.9R226 G230 V231R226-V228 HydrophobicContact CB-CG2 3.97Å; V228-G230 PolarHBondContact O-N 3.17Å; V228-G230 VanDerWaalsContact O-N 3.11Å; V228-V231 PolarHBondContact N-O 2.63Å; V228-V231 PolarHBondContact O-N 2.92Å; V228-V231 VanDerWaalsContact O-O 3.08Å
229A81Confident86.1Confident107 Ų10769.8 Ų69.888%0.88439%0.391SS*.THydrogen-bonded Turntrans5038.317700000114.7
230G82.9Confident86.5Confident51 Ų5168.5 Ų68.553%0.52638%0.383SS..THydrogen-bonded Turntrans89.3-7.1178.400000115.4F227 V228F227-G230 VanDerWaalsContact CE2-C 3.5Å; F227-G230 WeakPolarHBondContact CE2-O 3.42Å; F227-G230 VanDerWaalsContact CZ-C 3.46Å; F227-G230 WeakPolarHBondContact CZ-O 3.36Å; V228-G230 PolarHBondContact O-N 3.17Å; V228-G230 VanDerWaalsContact O-N 3.11Å
231V85.9Confident87Confident100 Ų10069.1 Ų69.161%0.60638%0.381SS*.EExtended strand (participates in β ladder)trans-117.3138.6-178-176.20000110V228 K233V228-V231 PolarHBondContact N-O 2.63Å; V228-V231 PolarHBondContact O-N 2.92Å; V228-V231 VanDerWaalsContact O-O 3.08Å; V231-K233 PolarHBondContact O-N 2.86Å
232T84.9Confident87.4Confident89 Ų8968.9 Ų68.955%0.54638%0.38SS..EExtended strand (participates in β ladder)trans-81.8107.8171.6-54.80000108.7R225 R226R225-T232 HydrophobicContact CB-CG2 4.24Å; R226-T232 CarbonylContact O-C 3.59Å; R226-T232 WeakPolarHBondContact O-CA 3.41Å
233K87.8Confident88Confident65 Ų6569.1 Ų69.128%0.28338%0.378SS..EExtended strand (participates in β ladder)trans-92.9130.9171.6-170.5167.2177.6176.30108.9R225 R226 V231 Y235 E301 D302R225-K233 WeakPolarHBondContact CA-O 3.37Å; R226-K233 PolarHBondContact N-O 2.87Å; R226-K233 PolarHBondContact O-N 3.13Å; V231-K233 PolarHBondContact O-N 2.86Å; K233-Y235 HydrophobicContact CB-CE2 3.9Å; K233-Y235 HydrophobicContact CD-CE1 4.1Å; K233-Y235 HydrophobicContact CD-CE2 4.11Å; K233-Y235 HydrophobicContact CG-CD2 4.33Å; K233-Y235 HydrophobicContact CG-CE1 4.46Å; K233-Y235 HydrophobicContact CG-CE2 3.79Å; K233-E301 IonicContact NZ-OE1 3.97Å; K233-E301 PolarHBondContact NZ-OE1 2.78Å; K233-D302 IonicContact NZ-OD2 3.79Å
234E88.9Confident88.4Confident90 Ų9067.3 Ų67.342%0.42137%0.37SS..EExtended strand (participates in β ladder)trans-102.5125.5174.5-173.9164.5-138.500108.6P223 R225P223-E234 HydrophobicContact CB-CG 4.38Å; R225-E234 HydrophobicContact CG-CB 4.2Å; R225-E234 HydrophobicContact CG-CG 3.96Å; R225-E234 IonicContact CZ-OE1 3.93Å; R225-E234 VanDerWaalsContact CZ-OE1 3.27Å; R225-E234 IonicContact NE-OE1 3.59Å; R225-E234 PolarHBondContact NE-OE1 3.25Å; R225-E234 IonicContact NE-OE2 3.79Å; R225-E234 IonicContact NH2-OE1 3.94Å; R225-E234 PolarHBondContact NH2-OE1 3.16Å; R225-E234 IonicContact NH2-OE2 3.04Å
235Y89.3Confident88.9Confident16 Ų1671.9 Ų71.96%0.06339%0.389CS..EExtended strand (participates in β ladder)trans-106.3120-180-63.9-97000108.3P223 C224 R226 K233 E301 D302 P325P223-Y235 CarbonylContact C-O 3.57Å; P223-Y235 WeakPolarHBondContact CA-O 3.36Å; C224-Y235 PolarHBondContact N-O 2.73Å; C224-Y235 PolarHBondContact O-N 2.83Å; R226-Y235 HydrophobicContact CB-CE2 4.12Å; R226-Y235 HydrophobicContact CG-CE2 4.37Å; K233-Y235 HydrophobicContact CB-CE2 3.9Å; K233-Y235 HydrophobicContact CD-CE1 4.1Å; K233-Y235 HydrophobicContact CD-CE2 4.11Å; K233-Y235 HydrophobicContact CG-CD2 4.33Å; K233-Y235 HydrophobicContact CG-CE1 4.46Å; K233-Y235 HydrophobicContact CG-CE2 3.79Å; Y235-E301 WeakPolarHBondContact CD1-O 3.15Å; Y235-D302 HydrophobicContact CE1-CB 4.18Å; Y235-P325 HydrophobicContact CD1-CB 3.51Å; Y235-P325 HydrophobicContact CD1-CG 4.49Å; Y235-P325 HydrophobicContact CD2-CB 3.69Å; Y235-P325 HydrophobicContact CD2-CG 4.19Å; Y235-P325 HydrophobicContact CE1-CB 3.62Å; Y235-P325 HydrophobicContact CE2-CB 3.83Å; Y235-P325 HydrophobicContact CG-CB 3.52Å; Y235-P325 HydrophobicContact CG-CG 4.09Å
236C90.8Very high89.2Confident66 Ų6666 Ų6645%0.44637%0.368SS..  trans-115.4152.1-179.6-660000109.9
237F92.5Very high89.6Confident45 Ų4564.6 Ų64.620%0.19737%0.368CS..  trans-67.8138.1168.5177.8-95.6000109.9L202 T204 I217 L221 L240 I299L202-F237 HydrophobicContact CD2-CB 4.42Å; L202-F237 HydrophobicContact CD2-CD1 3.73Å; L202-F237 HydrophobicContact CD2-CD2 4.4Å; L202-F237 HydrophobicContact CD2-CE1 4.03Å; L202-F237 HydrophobicContact CD2-CG 3.91Å; L202-F237 HydrophobicContact CD2-CZ 4.49Å; T204-F237 HydrophobicContact CG2-CZ 3.96Å; T204-F237 WeakPolarHBondContact OG1-CZ 3.29Å; I217-F237 HydrophobicContact CD1-CE2 4.07Å; I217-F237 HydrophobicContact CD1-CZ 4.24Å; L221-F237 HydrophobicContact CB-CB 4.36Å; L221-F237 HydrophobicContact CD1-CB 4.14Å; L221-F237 HydrophobicContact CD1-CD2 3.3Å; L221-F237 HydrophobicContact CD1-CE2 3.92Å; L221-F237 HydrophobicContact CD1-CG 3.91Å; F237-L240 HydrophobicContact CE2-CB 4.19Å; F237-L240 HydrophobicContact CZ-CB 4.09Å; F237-I299 HydrophobicContact CD2-CB 4.16Å; F237-I299 HydrophobicContact CE2-CB 4.36Å; F237-I299 HydrophobicContact CE2-CG2 4.43Å
238D92.3Very high89.9Confident120 Ų12061.3 Ų61.364%0.64236%0.357SS*.  trans-122.3-63178.9-177.821.6000110.6I299D238-I299 PolarHBondContact N-O 3.36Å
239Q93.3Very high90.3Very high66 Ų6664.5 Ų64.531%0.30837%0.371SS..  trans-145.5159.6-177.557.1171.311.100110.6E241 I299Q239-E241 PolarHBondContact NE2-OE2 3.47Å; Q239-I299 CarbonylContact O-C 3.58Å; Q239-I299 WeakPolarHBondContact O-CA 3.5Å
240L95.6Very high90.6Very high2 Ų261.7 Ų61.71%0.0134%0.342CS..EExtended strand (participates in β ladder)trans-111.988.4174.4-175.663.5000110.3T204 L206 Q207 V215 I217 F237 L262 C297 I299 L320T204-L240 HydrophobicContact CG2-CB 4.2Å; T204-L240 HydrophobicContact CG2-CD2 4.17Å; L206-L240 HydrophobicContact CB-CD2 4.15Å; L206-L240 HydrophobicContact CD1-CD2 3.72Å; L206-L240 HydrophobicContact CD1-CG 3.66Å; Q207-L240 PolarHBondContact N-O 2.72Å; V215-L240 HydrophobicContact CG2-CD2 4.08Å; I217-L240 HydrophobicContact CD1-CD2 4.43Å; F237-L240 HydrophobicContact CE2-CB 4.19Å; F237-L240 HydrophobicContact CZ-CB 4.09Å; L240-L262 HydrophobicContact CD2-CD1 4.44Å; L240-L262 HydrophobicContact CD2-CD2 4.13Å; L240-C297 HydrophobicContact CD1-CB 3.94Å; L240-I299 HydrophobicContact CD1-CG2 3.67Å; L240-L320 HydrophobicContact CD1-CD1 3.81Å; L240-L320 HydrophobicContact CD1-CD2 4.41Å
241E96.3Very high90.8Very high56 Ų5660 Ų6026%0.26232%0.32SS..EExtended strand (participates in β ladder)trans-114122.4-175-176178-162.400111.6Q207 Q239 I243 C297 K298Q207-E241 CarbonylContact O-C 3.56Å; Q207-E241 WeakPolarHBondContact O-CA 3.4Å; Q239-E241 PolarHBondContact NE2-OE2 3.47Å; E241-I243 PolarHBondContact O-N 3.41Å; E241-C297 CarbonylContact O-C 3.53Å; E241-C297 WeakPolarHBondContact O-CA 3.32Å; E241-K298 PolarHBondContact N-O 2.77Å; E241-K298 VanDerWaalsContact N-O 3.15Å; E241-K298 PolarHBondContact O-N 2.83Å
242I96.5Very high90.7Very high9 Ų958 Ų585%0.04631%0.314CS..EExtended strand (participates in β ladder)trans-73.4119.4172.4-55.1-173.9000109L206 Q207 C208 F245 F280 L284 A295 I296L206-I242 HydrophobicContact CD1-CD1 4.03Å; L206-I242 HydrophobicContact CD1-CG1 3.84Å; L206-I242 HydrophobicContact CG-CD1 4.49Å; Q207-I242 PolarHBondContact O-N 3.05Å; C208-I242 HydrophobicContact CB-CB 3.99Å; C208-I242 HydrophobicContact CB-CD1 3.96Å; C208-I242 HydrophobicContact CB-CG1 4.22Å; I242-F245 HydrophobicContact CG2-CE1 4.37Å; I242-F245 HydrophobicContact CG2-CE2 4.48Å; I242-F245 HydrophobicContact CG2-CZ 4.09Å; I242-F280 HydrophobicContact CD1-CE1 4.46Å; I242-F280 HydrophobicContact CD1-CZ 4.13Å; I242-L284 HydrophobicContact CD1-CD1 4.14Å; I242-L284 HydrophobicContact CD1-CD2 3.66Å; I242-A295 HydrophobicContact CD1-CB 4.06Å; I242-A295 HydrophobicContact CG1-CB 4.5Å; I242-A295 HydrophobicContact CG2-CB 3.99Å; I242-I296 CarbonylContact C-O 3.56Å; I242-I296 WeakPolarHBondContact CA-O 3.47Å
243I93.7Very high90.7Very high75 Ų7559.9 Ų59.939%0.38533%0.33SS..EExtended strand (participates in β ladder)trans-100.3-18.9179.959.9170.4000112.9E241 I296 K298 Y304E241-I243 PolarHBondContact O-N 3.41Å; I243-I296 HydrophobicContact CD1-CG2 3.85Å; I243-I296 HydrophobicContact CG1-CB 4.19Å; I243-I296 HydrophobicContact CG1-CG2 3.85Å; I243-I296 WeakPolarHBondContact CG1-O 3.43Å; I243-I296 PolarHBondContact N-O 2.77Å; I243-K298 HydrophobicContact CG2-CB 3.99Å; I243-Y304 HydrophobicContact CD1-CD1 3.97Å; I243-Y304 HydrophobicContact CD1-CE1 3.9Å
244G93.4Very high90.9Very high21 Ų2157.2 Ų57.222%0.21632%0.32CS..EExtended strand (participates in β ladder)trans178.3-176.3-179.300000113.3I296G244-I296 PolarHBondContact N-O 3.49Å; G244-I296 PolarHBondContact O-N 2.92Å
245F93.8Very high90.9Very high101 Ų10156.7 Ų56.744%0.44332%0.324SS..EExtended strand (participates in β ladder)trans-129.3140.9179.1-58.3-87.7000109.6I242 L284 L288 V294 A295I242-F245 HydrophobicContact CG2-CE1 4.37Å; I242-F245 HydrophobicContact CG2-CE2 4.48Å; I242-F245 HydrophobicContact CG2-CZ 4.09Å; F245-L284 HydrophobicContact CE1-CD1 4.06Å; F245-L288 HydrophobicContact CD1-CD2 3.95Å; F245-L288 HydrophobicContact CE1-CD2 4.14Å; F245-V294 CarbonylContact C-O 3.47Å; F245-V294 VanDerWaalsContact CA-O 3.27Å; F245-V294 WeakPolarHBondContact CA-O 3.4Å; F245-A295 HydrophobicContact CD1-CB 3.89Å; F245-A295 HydrophobicContact CE1-CB 3.78Å
246L91.6Very high90.9Very high19 Ų1957.6 Ų57.610%0.09933%0.331CS..EExtended strand (participates in β ladder)trans-125.1153175-66.9179.3000109.3M293 V294 I296 L333 F353L246-M293 CarbonylContact O-C 3.53Å; L246-M293 VanDerWaalsContact O-CA 3.27Å; L246-M293 WeakPolarHBondContact O-CA 3.37Å; L246-M293 WeakPolarHBondContact O-CB 3.24Å; L246-V294 HydrophobicContact CB-CG2 3.91Å; L246-V294 PolarHBondContact N-O 3.29Å; L246-V294 WeakPolarHBondContact O-CG2 3.23Å; L246-V294 PolarHBondContact O-N 2.93Å; L246-I296 HydrophobicContact CB-CG1 4.45Å; L246-I296 HydrophobicContact CD1-CD1 3.83Å; L246-I296 HydrophobicContact CD1-CG1 3.62Å; L246-I296 HydrophobicContact CG-CD1 4.35Å; L246-I296 HydrophobicContact CG-CG1 3.8Å; L246-L333 HydrophobicContact CD1-CD1 3.84Å; L246-L333 HydrophobicContact CD1-CD2 4.28Å; L246-F353 HydrophobicContact CD2-CE1 4.43Å; L246-F353 HydrophobicContact CD2-CE2 3.92Å; L246-F353 HydrophobicContact CD2-CZ 3.46Å; L246-F353 VanDerWaalsContact CD2-CZ 3.46Å
247S90.1Very high90.7Very high33 Ų3357.9 Ų57.923%0.23133%0.325CS..EExtended strand (participates in β ladder)trans-69.1151.8169.878.10000110.1D249 D250 L251S247-D249 PolarHBondContact O-N 3.29Å; S247-D250 WeakPolarHBondContact CB-OD2 3.37Å; S247-D250 PolarHBondContact O-N 3.44Å; S247-D250 WeakPolarHBondContact OG-CB 3.34Å; S247-D250 PolarHBondContact OG-N 3.26Å; S247-D250 PolarHBondContact OG-OD2 3.42Å; S247-L251 PolarHBondContact O-N 3.38Å
248L88.6Confident90.5Very high81 Ų8157.9 Ų57.942%0.42433%0.329SS..Hα-helixtrans-59.6-34.4173.6-80.2167.8000112L251 A252 S292 V294L248-L251 PolarHBondContact O-N 3Å; L248-A252 PolarHBondContact O-N 3.46Å; L248-S292 WeakPolarHBondContact CB-O 3.27Å; L248-S292 WeakPolarHBondContact CG-O 3.41Å; L248-S292 PolarHBondContact N-O 2.76Å; L248-V294 HydrophobicContact CD2-CG1 3.36Å; L248-V294 HydrophobicContact CG-CG1 4.1Å
249D87.6Confident90.4Very high142 Ų14260.9 Ų60.976%0.75933%0.331SS*.Hα-helixtrans-67-41.3179.7-65.5-27000111.6S247 L251 A252S247-D249 PolarHBondContact O-N 3.29Å; D249-L251 VanDerWaalsContact C-N 3.33Å; D249-L251 PolarHBondContact O-N 3.26Å; D249-A252 WeakPolarHBondContact O-CA 3.3Å; D249-A252 WeakPolarHBondContact O-CB 3.49Å; D249-A252 PolarHBondContact O-N 3.19Å; D249-A252 VanDerWaalsContact O-N 3.13Å
250D87.2Confident90.3Very high49 Ų4958.2 Ų58.226%0.26232%0.319SS..Hα-helixtrans-66.8-35.6177.3-66.5-42.3000112.1S247 A252 W332 F353S247-D250 WeakPolarHBondContact CB-OD2 3.37Å; S247-D250 PolarHBondContact O-N 3.44Å; S247-D250 WeakPolarHBondContact OG-CB 3.34Å; S247-D250 PolarHBondContact OG-N 3.26Å; S247-D250 PolarHBondContact OG-OD2 3.42Å; D250-A252 PolarHBondContact O-N 3.36Å; D250-W332 PolarHBondContact O-NE1 3.02Å; D250-W332 VanDerWaalsContact O-NE1 3.16Å; D250-F353 HydrophobicContact CB-CD2 3.58Å; D250-F353 HydrophobicContact CB-CE2 3.67Å; D250-F353 VanDerWaalsContact CG-CD2 3.45Å; D250-F353 WeakPolarHBondContact OD1-CD2 3.5Å
251L87.6Confident90.1Very high14 Ų1459.9 Ų59.97%0.07333%0.327CS..Hα-helixtrans-68.1-25175.1-172.466.2000111.7S247 L248 D249 C253 A254 V294 N306 F323 W332 L333S247-L251 PolarHBondContact O-N 3.38Å; L248-L251 PolarHBondContact O-N 3Å; D249-L251 VanDerWaalsContact C-N 3.33Å; D249-L251 PolarHBondContact O-N 3.26Å; L251-C253 VanDerWaalsContact C-N 3.26Å; L251-C253 PolarHBondContact O-N 3.32Å; L251-A254 HydrophobicContact CD1-CB 3.57Å; L251-A254 HydrophobicContact CG-CB 3.97Å; L251-A254 WeakPolarHBondContact O-CB 3.3Å; L251-A254 PolarHBondContact O-N 3.07Å; L251-V294 HydrophobicContact CB-CG2 4.41Å; L251-V294 HydrophobicContact CD2-CG1 4.17Å; L251-V294 HydrophobicContact CD2-CG2 4.04Å; L251-N306 HydrophobicContact CD2-CB 4.33Å; L251-F323 HydrophobicContact CD1-CE1 4.16Å; L251-F323 HydrophobicContact CD1-CZ 3.78Å; L251-W332 WeakPolarHBondContact O-CZ2 3.49Å; L251-L333 HydrophobicContact CD1-CD1 4.07Å
252A83.8Confident89.9Confident59 Ų5957.2 Ų57.249%0.48832%0.315SS..THydrogen-bonded Turntrans46.439.8169.700000115.4L248 D249 D250 A254 W332L248-A252 PolarHBondContact O-N 3.46Å; D249-A252 WeakPolarHBondContact O-CA 3.3Å; D249-A252 WeakPolarHBondContact O-CB 3.49Å; D249-A252 PolarHBondContact O-N 3.19Å; D249-A252 VanDerWaalsContact O-N 3.13Å; D250-A252 PolarHBondContact O-N 3.36Å; A252-A254 PolarHBondContact O-N 3.47Å; A252-W332 HydrophobicContact CB-CZ2 4.22Å
253C84.9Confident89.4Confident129 Ų12958.2 Ų58.287%0.87232%0.322SS*.THydrogen-bonded Turntrans57.742.5-174.9-60.20000114.1L251L251-C253 VanDerWaalsContact C-N 3.26Å; L251-C253 PolarHBondContact O-N 3.32Å
254A90.1Very high89Confident8 Ų855.1 Ų55.17%0.06631%0.307CS..  trans-45.1141.4176.200000113.1L251 A252 V256 F323 V330 W332L251-A254 HydrophobicContact CD1-CB 3.57Å; L251-A254 HydrophobicContact CG-CB 3.97Å; L251-A254 WeakPolarHBondContact O-CB 3.3Å; L251-A254 PolarHBondContact O-N 3.07Å; A252-A254 PolarHBondContact O-N 3.47Å; A254-V256 WeakPolarHBondContact O-CG2 3.36Å; A254-V256 PolarHBondContact O-N 3.49Å; A254-F323 HydrophobicContact CB-CE1 3.93Å; A254-V330 HydrophobicContact CB-CB 4.47Å; A254-V330 HydrophobicContact CB-CG1 3.8Å; A254-V330 HydrophobicContact CB-CG2 3.74Å; A254-W332 HydrophobicContact CB-CH2 4.35Å; A254-W332 HydrophobicContact CB-CZ2 3.86Å
255P90Very high87.9Confident79 Ų7958.4 Ų58.451%0.51332%0.319SS..  trans-62.1133.5178.626.9-34.2000110.2
256V89.6Confident86Confident36 Ų3655.9 Ų55.922%0.21831%0.314CS..  trans-114.2133.1-179.4178.90000108A254 T258 R259 N321 C322A254-V256 WeakPolarHBondContact O-CG2 3.36Å; A254-V256 PolarHBondContact O-N 3.49Å; V256-T258 WeakPolarHBondContact CG1-O 3.18Å; V256-R259 HydrophobicContact CG1-CG 3.85Å; V256-N321 HydrophobicContact CB-CB 4.38Å; V256-N321 HydrophobicContact CG1-CB 3.61Å; V256-N321 HydrophobicContact CG2-CB 3.79Å; V256-C322 VanDerWaalsContact CG1-O 3.29Å; V256-C322 WeakPolarHBondContact CG1-O 3.2Å
257F86.5Confident84.3Confident72 Ų7258.7 Ų58.732%0.31633%0.327SS..SBendtrans-77.6-53.4177.9-179.6-121.8000111.2C224 C322 E324C224-F257 HydrophobicContact CB-CE1 4.42Å; F257-C322 PolarHBondContact N-O 3.12Å; F257-E324 WeakPolarHBondContact CD2-OE2 3.35Å; F257-E324 WeakPolarHBondContact CG-OE2 3.41Å
258T87.8Confident82.4Confident45 Ų4559.4 Ų59.428%0.27633%0.331SS..EExtended strand (participates in β ladder)trans-135.4149.2177.758.50000111.8V256 H260 C322V256-T258 WeakPolarHBondContact CG1-O 3.18Å; T258-H260 WeakPolarHBondContact CB-NE2 3.44Å; T258-H260 PolarHBondContact OG1-NE2 3.19Å; T258-C322 PolarHBondContact N-O 2.86Å; T258-C322 PolarHBondContact O-N 3.39Å; T258-C322 WeakPolarHBondContact OG1-CB 3.39Å
259R89.7Confident80.4Confident183 Ų18358.4 Ų58.469%0.69134%0.341SS*.EExtended strand (participates in β ladder)trans-119.9134.2179.9-63.9-176.9-176.7177-0.6109.9V256V256-R259 HydrophobicContact CG1-CG 3.85Å
260H91.5Very high78.4Confident10 Ų1059.5 Ų59.55%0.04634%0.339CS..EExtended strand (participates in β ladder)trans-136.9155.8-177.2-51.6-96.8000109.4I217 V218 P219 L221 T258 S319 L320I217-H260 HydrophobicContact CG2-CB 3.49Å; I217-H260 VanDerWaalsContact CG2-CB 3.49Å; V218-H260 CarbonylContact O-C 3.54Å; P219-H260 PolarHBondContact O-ND1 3.5Å; L221-H260 WeakPolarHBondContact CD2-NE2 3.48Å; T258-H260 WeakPolarHBondContact CB-NE2 3.44Å; T258-H260 PolarHBondContact OG1-NE2 3.19Å; H260-S319 CarbonylContact O-C 3.58Å; H260-S319 WeakPolarHBondContact O-CA 3.48Å; H260-S319 PolarHBondContact O-OG 2.99Å; H260-L320 HydrophobicContact CB-CB 4.26Å; H260-L320 PolarHBondContact N-O 2.84Å; H260-L320 PolarHBondContact O-N 2.76Å
261I91.1Very high76.4Confident37 Ų3759.5 Ų59.519%0.1934%0.343CS..EExtended strand (participates in β ladder)trans-102131.8175.9-59.1176000107.1L44 V218 C263 F317L44-I261 HydrophobicContact CD1-CD1 3.5Å; L44-I261 VanDerWaalsContact CD1-CD1 3.5Å; V218-I261 PolarHBondContact N-O 3.45Å; V218-I261 PolarHBondContact O-N 2.86Å; I261-C263 VanDerWaalsContact CG2-SG 3.55Å; I261-F317 HydrophobicContact CB-CD2 4.43Å; I261-F317 HydrophobicContact CD1-CE2 4.24Å; I261-F317 HydrophobicContact CD1-CZ 4.29Å; I261-F317 HydrophobicContact CG1-CD2 4.22Å; I261-F317 HydrophobicContact CG1-CE2 3.89Å; I261-F317 HydrophobicContact CG1-CZ 4.42Å; I261-F317 HydrophobicContact CG2-CB 4.16Å; I261-F317 HydrophobicContact CG2-CD2 3.69Å; I261-F317 HydrophobicContact CG2-CE2 4.24Å; I261-F317 HydrophobicContact CG2-CG 3.96Å
262L92.4Very high74.4Confident0 Ų068.7 Ų68.70%038%0.382CS..EExtended strand (participates in β ladder)trans-93.7112.5169.7-61.4179.8000108.2V215 N216 I217 L240 Y281 V307 L318 L320V215-L262 HydrophobicContact CG2-CD2 4.5Å; N216-L262 WeakPolarHBondContact O-CA 3.38Å; I217-L262 HydrophobicContact CB-CD2 4.41Å; I217-L262 HydrophobicContact CD1-CD2 4.44Å; I217-L262 HydrophobicContact CG1-CD2 3.66Å; L240-L262 HydrophobicContact CD2-CD1 4.44Å; L240-L262 HydrophobicContact CD2-CD2 4.13Å; L262-Y281 HydrophobicContact CB-CE2 4.11Å; L262-Y281 VanDerWaalsContact O-CE2 3.29Å; L262-Y281 WeakPolarHBondContact O-CE2 3.4Å; L262-Y281 PolarHBondContact O-OH 2.8Å; L262-V307 HydrophobicContact CD1-CG1 4.06Å; L262-V307 HydrophobicContact CD1-CG2 3.87Å; L262-L318 HydrophobicContact CB-CB 3.99Å; L262-L318 WeakPolarHBondContact CB-O 3.18Å; L262-L318 HydrophobicContact CD1-CB 4.16Å; L262-L318 HydrophobicContact CG-CB 4.5Å; L262-L318 PolarHBondContact N-O 3.06Å; L262-L320 HydrophobicContact CD1-CB 4.2Å; L262-L320 HydrophobicContact CD2-CB 3.98Å; L262-L320 HydrophobicContact CD2-CD2 4.3Å; L262-L320 HydrophobicContact CG-CB 3.91Å
263C86.9Confident72.8Confident29 Ų2970.7 Ų70.720%0.19639%0.392CS..EExtended strand (participates in β ladder)trans-108.4150174.6-60.80000109.6V215 N216 I261V215-C263 CarbonylContact C-O 3.6Å; V215-C263 WeakPolarHBondContact CA-O 3.5Å; N216-C263 HydrophobicContact CB-CB 4.49Å; N216-C263 PolarHBondContact N-O 2.86Å; N216-C263 PolarHBondContact O-N 2.97Å; I261-C263 VanDerWaalsContact CG2-SG 3.55Å
264T85.4Confident71.3Confident11 Ų1165.7 Ų65.77%0.06736%0.36CS..  trans-110.5147.8167.7-177.50000110D214 C266 E267 Y281 F282D214-T264 PolarHBondContact O-OG1 3.33Å; T264-C266 HydrophobicContact CG2-CB 3.96Å; T264-C266 PolarHBondContact O-N 3Å; T264-E267 HydrophobicContact CG2-CG 3.87Å; T264-E267 PolarHBondContact O-N 2.89Å; T264-Y281 HydrophobicContact CG2-CD1 3.82Å; T264-Y281 HydrophobicContact CG2-CE1 4.17Å; T264-Y281 HydrophobicContact CG2-CG 4.11Å; T264-F282 HydrophobicContact CG2-CZ 4.18Å
265N69.4Low69.7Low89 Ų8969.6 Ų69.648%0.47639%0.393SS..G310 helixtrans-57.1-23.3177.3-70.8-19000112.6N216 E267 S268N216-N265 PolarHBondContact ND2-OD1 3.33Å; N265-E267 VanDerWaalsContact C-N 3.27Å; N265-E267 PolarHBondContact O-N 3Å; N265-S268 PolarHBondContact O-N 3.28Å; N265-S268 PolarHBondContact O-OG 3.38Å
266C54.4Low68.3Low49 Ų4971 Ų7133%0.33141%0.405SS..G310 helixtrans-64.6-26.1176.2-59.60000113.5T264 F282T264-C266 HydrophobicContact CG2-CB 3.96Å; T264-C266 PolarHBondContact O-N 3Å; C266-F282 HydrophobicContact CB-CE2 4.45Å
267E55.5Low67.6Low78 Ų7877.2 Ų77.236%0.36443%0.429SS..G310 helixtrans-76.7-24.7-179.9-72.1-175.8157.300112.7T264 N265 G269 F282 R285T264-E267 HydrophobicContact CG2-CG 3.87Å; T264-E267 PolarHBondContact O-N 2.89Å; N265-E267 VanDerWaalsContact C-N 3.27Å; N265-E267 PolarHBondContact O-N 3Å; E267-G269 PolarHBondContact O-N 3.49Å; E267-F282 HydrophobicContact CG-CE1 4.26Å; E267-F282 HydrophobicContact CG-CZ 4.06Å; E267-R285 IonicContact OE1-NH1 3.45Å; E267-R285 PolarHBondContact OE1-NH1 3.37Å
268S50.3Low67.2Low47 Ų4780.2 Ų80.233%0.32946%0.455SS..G310 helixtrans-71.56.3-175.469.20000115.2N265 K270N265-S268 PolarHBondContact O-N 3.28Å; N265-S268 PolarHBondContact O-OG 3.38Å; S268-K270 PolarHBondContact O-N 3.1Å
269G45.8Very low67.2Low61 Ų6179.3 Ų79.363%0.62945%0.451SS*.SBendtrans63.8-2.3177.900000115.6E267 S271E267-G269 PolarHBondContact O-N 3.49Å; G269-S271 VanDerWaalsContact C-N 3.25Å; G269-S271 PolarHBondContact O-N 3.27Å
270K46.2Very low67.3Low164 Ų16471.7 Ų71.771%0.71342%0.423SS*.SBendtrans-75.3-7.2-174.1-73.5174.3-174.2172.10114S268S268-K270 PolarHBondContact O-N 3.1Å
271S44.6Very low67.4Low49 Ų4971.2 Ų71.234%0.34342%0.421SS..  trans-143.395.317554.90000112.4G269 S273 A274G269-S271 VanDerWaalsContact C-N 3.25Å; G269-S271 PolarHBondContact O-N 3.27Å; S271-S273 PolarHBondContact O-N 2.94Å; S271-A274 PolarHBondContact O-N 3.48Å; S271-A274 VanDerWaalsContact OG-CB 3.26Å; S271-A274 WeakPolarHBondContact OG-CB 3.35Å
272K47Very low67.3Low207 Ų20772.6 Ų72.690%0.943%0.426SS*.THydrogen-bonded Turntrans-55.2-20.3170.2-72.8-176.1176.8179.60113.3
273S49.2Very low67.4Low101 Ų10177.9 Ų77.971%0.70645%0.453SS*.THydrogen-bonded Turntrans-81-17.8177.455.90000114.6S271S271-S273 PolarHBondContact O-N 2.94Å
274A53.3Low67.7Low24 Ų2476.8 Ų76.820%0.19845%0.446CS..THydrogen-bonded Turntrans-83-25.6-177.800000113.1S271 S276 K277S271-A274 PolarHBondContact O-N 3.48Å; S271-A274 VanDerWaalsContact OG-CB 3.26Å; S271-A274 WeakPolarHBondContact OG-CB 3.35Å; A274-S276 PolarHBondContact O-N 2.93Å; A274-S276 VanDerWaalsContact O-N 3.09Å; A274-K277 PolarHBondContact O-N 3.28Å
275A56.3Low68.1Low90 Ų9078 Ų7874%0.74445%0.449SS*.THydrogen-bonded Turntrans-62.6-18.8-176.600000114.4
276S60.5Low69.1Low110 Ų11077.5 Ų77.577%0.76945%0.446SS*.THydrogen-bonded Turntrans-86-14.4-178.3-172.80000114.3A274A274-S276 PolarHBondContact O-N 2.93Å; A274-S276 VanDerWaalsContact O-N 3.09Å
277K75.2Confident71Confident165 Ų16577.5 Ų77.572%0.71745%0.45SS*.SBendtrans-88.7134-178.5-70.6-175.5179.9-179.60110.1A274 S279A274-K277 PolarHBondContact O-N 3.28Å; K277-S279 PolarHBondContact O-N 3.39Å
278P79.7Confident72.9Confident135 Ų13574 Ų7488%0.87743%0.433SS*.  trans-60.5123.6173.825.9-32.8000109.2
279S86.5Confident74.8Confident27 Ų2774.6 Ų74.619%0.18944%0.441CS..  trans-109.9129.5179177.40000110.1K277 Y281 F282 L283K277-S279 PolarHBondContact O-N 3.39Å; S279-Y281 PolarHBondContact O-N 2.86Å; S279-Y281 PolarHBondContact OG-N 2.86Å; S279-F282 PolarHBondContact O-N 2.84Å; S279-L283 PolarHBondContact O-N 3.01Å
280F92.2Very high77Confident22 Ų2279.4 Ų79.410%0.09645%0.447CS..Hα-helixtrans-57.2-32.7175172.9-124000112L206 C208 L211 C213 I242 F282 L283 L284L206-F280 HydrophobicContact CD2-CE1 4.1Å; L206-F280 HydrophobicContact CG-CE1 4.06Å; C208-F280 HydrophobicContact CB-CE1 3.86Å; C208-F280 HydrophobicContact CB-CE2 4.27Å; C208-F280 HydrophobicContact CB-CZ 3.4Å; L211-F280 HydrophobicContact CB-CD1 4.19Å; L211-F280 HydrophobicContact CB-CD2 3.82Å; L211-F280 HydrophobicContact CB-CE1 4.31Å; L211-F280 HydrophobicContact CB-CE2 3.95Å; L211-F280 HydrophobicContact CB-CG 3.96Å; L211-F280 HydrophobicContact CB-CZ 4.2Å; L211-F280 HydrophobicContact CD1-CD2 3.78Å; L211-F280 HydrophobicContact CD1-CE2 3.65Å; L211-F280 HydrophobicContact CD1-CZ 4.49Å; L211-F280 HydrophobicContact CG-CD2 4.35Å; L211-F280 HydrophobicContact CG-CE2 4.45Å; C213-F280 HydrophobicContact CB-CB 4.12Å; C213-F280 HydrophobicContact CB-CD1 4.37Å; I242-F280 HydrophobicContact CD1-CE1 4.46Å; I242-F280 HydrophobicContact CD1-CZ 4.13Å; F280-F282 PolarHBondContact O-N 3.25Å; F280-L283 PolarHBondContact O-N 3.1Å; F280-L284 HydrophobicContact CE1-CD2 4.44Å; F280-L284 HydrophobicContact CE2-CB 4.14Å; F280-L284 HydrophobicContact CZ-CB 4.27Å; F280-L284 HydrophobicContact CZ-CD1 4.41Å; F280-L284 HydrophobicContact CZ-CD2 4.19Å; F280-L284 WeakPolarHBondContact O-CB 3.24Å; F280-L284 PolarHBondContact O-N 3.39Å
281Y92.7Very high79.1Confident0 Ų074.1 Ų74.10%043%0.431CS..Hα-helixtrans-55.2-51.4176.5178.3-90.2000112.5V215 L262 T264 S279 L284 R285 L318V215-Y281 HydrophobicContact CG1-CD2 4Å; L262-Y281 HydrophobicContact CB-CE2 4.11Å; L262-Y281 VanDerWaalsContact O-CE2 3.29Å; L262-Y281 WeakPolarHBondContact O-CE2 3.4Å; L262-Y281 PolarHBondContact O-OH 2.8Å; T264-Y281 HydrophobicContact CG2-CD1 3.82Å; T264-Y281 HydrophobicContact CG2-CE1 4.17Å; T264-Y281 HydrophobicContact CG2-CG 4.11Å; S279-Y281 PolarHBondContact O-N 2.86Å; S279-Y281 PolarHBondContact OG-N 2.86Å; Y281-L284 PolarHBondContact O-N 2.84Å; Y281-R285 WeakPolarHBondContact O-CB 3.36Å; Y281-R285 PolarHBondContact O-N 2.89Å; Y281-L318 HydrophobicContact CD2-CD1 3.9Å; Y281-L318 HydrophobicContact CE2-CB 4.06Å; Y281-L318 HydrophobicContact CE2-CD1 3.74Å; Y281-L318 HydrophobicContact CE2-CG 4.12Å; Y281-L318 PolarHBondContact OH-N 2.88Å; Y281-L318 VanDerWaalsContact OH-N 3.17Å
282F90.5Very high81.2Confident67 Ų6775.3 Ų75.329%0.29444%0.439SS..Hα-helixtrans-70.3-36.1-179.2-65.7-58.7000111.9T264 C266 E267 S279 F280 N286T264-F282 HydrophobicContact CG2-CZ 4.18Å; C266-F282 HydrophobicContact CB-CE2 4.45Å; E267-F282 HydrophobicContact CG-CE1 4.26Å; E267-F282 HydrophobicContact CG-CZ 4.06Å; S279-F282 PolarHBondContact O-N 2.84Å; F280-F282 PolarHBondContact O-N 3.25Å; F282-N286 WeakPolarHBondContact O-CB 3.2Å; F282-N286 VanDerWaalsContact O-CG 3.24Å; F282-N286 PolarHBondContact O-N 2.8Å; F282-N286 PolarHBondContact O-ND2 3.48Å
283L92.9Very high83.4Confident110 Ų11069.3 Ų69.358%0.57642%0.415SS*.Hα-helixtrans-60-50.3173.8178.264.4000110.7S279 F280 N286 A287S279-L283 PolarHBondContact O-N 3.01Å; F280-L283 PolarHBondContact O-N 3.1Å; L283-N286 PolarHBondContact O-N 2.85Å; L283-A287 WeakPolarHBondContact O-CB 3.28Å; L283-A287 PolarHBondContact O-N 2.87Å
284L94.1Very high85.5Confident7 Ų764.5 Ų64.54%0.03738%0.382CS..Hα-helixtrans-62.1-48.1179.2-178.666.5000111.4L206 I242 F245 F280 Y281 N286 A287 L288 L318L206-L284 HydrophobicContact CD2-CD2 3.66Å; I242-L284 HydrophobicContact CD1-CD1 4.14Å; I242-L284 HydrophobicContact CD1-CD2 3.66Å; F245-L284 HydrophobicContact CE1-CD1 4.06Å; F280-L284 HydrophobicContact CE1-CD2 4.44Å; F280-L284 HydrophobicContact CE2-CB 4.14Å; F280-L284 HydrophobicContact CZ-CB 4.27Å; F280-L284 HydrophobicContact CZ-CD1 4.41Å; F280-L284 HydrophobicContact CZ-CD2 4.19Å; F280-L284 WeakPolarHBondContact O-CB 3.24Å; F280-L284 PolarHBondContact O-N 3.39Å; Y281-L284 PolarHBondContact O-N 2.84Å; L284-N286 VanDerWaalsContact C-N 3.34Å; L284-N286 PolarHBondContact O-N 2.79Å; L284-A287 PolarHBondContact O-N 2.96Å; L284-L288 HydrophobicContact CD1-CD1 3.9Å; L284-L288 HydrophobicContact CD1-CD2 4.37Å; L284-L288 HydrophobicContact CD1-CG 3.95Å; L284-L288 HydrophobicContact CG-CD1 3.89Å; L284-L288 HydrophobicContact CG-CG 4.29Å; L284-L288 WeakPolarHBondContact O-CB 3.21Å; L284-L288 VanDerWaalsContact O-CG 3.3Å; L284-L288 WeakPolarHBondContact O-CG 3.47Å; L284-L288 PolarHBondContact O-N 3.04Å; L284-L318 HydrophobicContact CD2-CD1 4.02Å; L284-L318 HydrophobicContact CG-CD1 4.33Å
285R93.1Very high87.5Confident37 Ų3763.4 Ų63.414%0.1437%0.372CS..Hα-helixtrans-55.5-49.2178.2-171.4-176.274.9-171.91.8111.8E267 Y281 A289 P309 S316 L318E267-R285 IonicContact OE1-NH1 3.45Å; E267-R285 PolarHBondContact OE1-NH1 3.37Å; Y281-R285 WeakPolarHBondContact O-CB 3.36Å; Y281-R285 PolarHBondContact O-N 2.89Å; R285-A289 WeakPolarHBondContact O-CB 3.27Å; R285-A289 PolarHBondContact O-N 2.88Å; R285-A289 VanDerWaalsContact O-N 3.16Å; R285-P309 HydrophobicContact CG-CB 4.48Å; R285-S316 VanDerWaalsContact CZ-OG 3.24Å; R285-S316 PolarHBondContact NH1-O 3.49Å; R285-S316 PolarHBondContact NH1-OG 2.84Å; R285-S316 PolarHBondContact NH2-OG 3.15Å; R285-L318 HydrophobicContact CB-CD1 4.24Å; R285-L318 HydrophobicContact CB-CD2 3.93Å; R285-L318 HydrophobicContact CB-CG 3.9Å; R285-L318 HydrophobicContact CG-CD2 3.99Å; R285-L318 HydrophobicContact CG-CG 4.07Å
286N91.6Very high89.4Confident77 Ų7759.2 Ų59.241%0.41234%0.337SS..Hα-helixtrans-69-42.9-179.6-68-13.2000110.9F282 L283 L284 L288 A289 H290F282-N286 WeakPolarHBondContact O-CB 3.2Å; F282-N286 VanDerWaalsContact O-CG 3.24Å; F282-N286 PolarHBondContact O-N 2.8Å; F282-N286 PolarHBondContact O-ND2 3.48Å; L283-N286 PolarHBondContact O-N 2.85Å; L284-N286 VanDerWaalsContact C-N 3.34Å; L284-N286 PolarHBondContact O-N 2.79Å; N286-L288 PolarHBondContact O-N 2.91Å; N286-A289 PolarHBondContact O-N 2.98Å; N286-H290 PolarHBondContact O-N 3.41Å; N286-H290 VanDerWaalsContact O-N 3.1Å; N286-H290 PolarHBondContact O-ND1 3.13Å
287A94.3Very high91.1Very high50 Ų5054 Ų5441%0.41330%0.301SS..Hα-helixtrans-58.3-50.5179.300000111.6L283 L284 A289 H290 S291L283-A287 WeakPolarHBondContact O-CB 3.28Å; L283-A287 PolarHBondContact O-N 2.87Å; L284-A287 PolarHBondContact O-N 2.96Å; A287-A289 VanDerWaalsContact C-N 3.3Å; A287-A289 PolarHBondContact O-N 3.35Å; A287-H290 PolarHBondContact O-N 3.23Å; A287-S291 WeakPolarHBondContact O-CB 3.38Å; A287-S291 PolarHBondContact O-N 2.86Å; A287-S291 PolarHBondContact O-OG 2.97Å
288L94.3Very high92Very high4 Ų449.6 Ų49.62%0.02128%0.282CS..Hα-helixtrans-62.4-37.5179.2-65.1176.3000112.3F245 L284 N286 H290 S292 M293 A295 V307 P309 L318F245-L288 HydrophobicContact CD1-CD2 3.95Å; F245-L288 HydrophobicContact CE1-CD2 4.14Å; L284-L288 HydrophobicContact CD1-CD1 3.9Å; L284-L288 HydrophobicContact CD1-CD2 4.37Å; L284-L288 HydrophobicContact CD1-CG 3.95Å; L284-L288 HydrophobicContact CG-CD1 3.89Å; L284-L288 HydrophobicContact CG-CG 4.29Å; L284-L288 WeakPolarHBondContact O-CB 3.21Å; L284-L288 VanDerWaalsContact O-CG 3.3Å; L284-L288 WeakPolarHBondContact O-CG 3.47Å; L284-L288 PolarHBondContact O-N 3.04Å; N286-L288 PolarHBondContact O-N 2.91Å; L288-H290 VanDerWaalsContact C-N 3.34Å; L288-H290 PolarHBondContact O-N 3.39Å; L288-S292 PolarHBondContact O-N 2.82Å; L288-M293 HydrophobicContact CD2-CB 4.28Å; L288-M293 WeakPolarHBondContact CD2-O 3.39Å; L288-A295 HydrophobicContact CD1-CB 4.25Å; L288-A295 HydrophobicContact CD2-CB 4.32Å; L288-V307 HydrophobicContact CD1-CG1 4.3Å; L288-P309 HydrophobicContact CB-CG 3.87Å; L288-L318 HydrophobicContact CD1-CD2 4.18Å
289A90.8Very high92.7Very high59 Ų5943.2 Ų43.249%0.48824%0.24SC..Hα-helixtrans-68-34.3-179.700000112.5R285 N286 A287 P309R285-A289 WeakPolarHBondContact O-CB 3.27Å; R285-A289 PolarHBondContact O-N 2.88Å; R285-A289 VanDerWaalsContact O-N 3.16Å; N286-A289 PolarHBondContact O-N 2.98Å; A287-A289 VanDerWaalsContact C-N 3.3Å; A287-A289 PolarHBondContact O-N 3.35Å; A289-P309 HydrophobicContact CB-CB 4.03Å; A289-P309 HydrophobicContact CB-CG 4.03Å
290H91.4Very high93Very high163 Ų16342 Ų4276%0.75523%0.232SC*.Hα-helixtrans-85.7-27.7179.8-68.881.9000113.1N286 A287 L288N286-H290 PolarHBondContact O-N 3.41Å; N286-H290 VanDerWaalsContact O-N 3.1Å; N286-H290 PolarHBondContact O-ND1 3.13Å; A287-H290 PolarHBondContact O-N 3.23Å; L288-H290 VanDerWaalsContact C-N 3.34Å; L288-H290 PolarHBondContact O-N 3.39Å
291S90.6Very high92.9Very high53 Ų5346.9 Ų46.937%0.37126%0.255SS..Hα-helixtrans-91.3-5.1-17665.70000114.5A287 M293A287-S291 WeakPolarHBondContact O-CB 3.38Å; A287-S291 PolarHBondContact O-N 2.86Å; A287-S291 PolarHBondContact O-OG 2.97Å; S291-M293 WeakPolarHBondContact O-CG 3.45Å; S291-M293 PolarHBondContact O-N 2.78Å; S291-M293 WeakPolarHBondContact OG-CB 3.49Å
292S89.4Confident92.7Very high74 Ų7447.9 Ų47.952%0.51726%0.26SS..THydrogen-bonded Turntrans52.938.6-171.5-61.50000112.5L248 L288L248-S292 WeakPolarHBondContact CB-O 3.27Å; L248-S292 WeakPolarHBondContact CG-O 3.41Å; L248-S292 PolarHBondContact N-O 2.76Å; L288-S292 PolarHBondContact O-N 2.82Å
293M92.3Very high92.9Very high80 Ų8044.9 Ų44.939%0.39425%0.247SC..EExtended strand (participates in β ladder)trans-116.6162.6179.6-65.8-179.4176.200111.6L246 L288 S291L246-M293 CarbonylContact O-C 3.53Å; L246-M293 VanDerWaalsContact O-CA 3.27Å; L246-M293 WeakPolarHBondContact O-CA 3.37Å; L246-M293 WeakPolarHBondContact O-CB 3.24Å; L288-M293 HydrophobicContact CD2-CB 4.28Å; L288-M293 WeakPolarHBondContact CD2-O 3.39Å; S291-M293 WeakPolarHBondContact O-CG 3.45Å; S291-M293 PolarHBondContact O-N 2.78Å; S291-M293 WeakPolarHBondContact OG-CB 3.49Å
294V94.3Very high93Very high1 Ų140.3 Ų40.31%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-119.5147.5170.2-63.60000109.4F245 L246 L248 L251 I296 N306 C308F245-V294 CarbonylContact C-O 3.47Å; F245-V294 VanDerWaalsContact CA-O 3.27Å; F245-V294 WeakPolarHBondContact CA-O 3.4Å; L246-V294 HydrophobicContact CB-CG2 3.91Å; L246-V294 PolarHBondContact N-O 3.29Å; L246-V294 WeakPolarHBondContact O-CG2 3.23Å; L246-V294 PolarHBondContact O-N 2.93Å; L248-V294 HydrophobicContact CD2-CG1 3.36Å; L248-V294 HydrophobicContact CG-CG1 4.1Å; L251-V294 HydrophobicContact CB-CG2 4.41Å; L251-V294 HydrophobicContact CD2-CG1 4.17Å; L251-V294 HydrophobicContact CD2-CG2 4.04Å; V294-I296 HydrophobicContact CG2-CD1 4.31Å; V294-N306 HydrophobicContact CB-CB 4.48Å; V294-C308 HydrophobicContact CG1-CB 3.93Å
295A95.5Very high93Very high0 Ų040 Ų400%022%0.22CC..EExtended strand (participates in β ladder)trans-93.5128.5171.900000109.5I242 F245 L288 N306 V307I242-A295 HydrophobicContact CD1-CB 4.06Å; I242-A295 HydrophobicContact CG1-CB 4.5Å; I242-A295 HydrophobicContact CG2-CB 3.99Å; F245-A295 HydrophobicContact CD1-CB 3.89Å; F245-A295 HydrophobicContact CE1-CB 3.78Å; L288-A295 HydrophobicContact CD1-CB 4.25Å; L288-A295 HydrophobicContact CD2-CB 4.32Å; A295-N306 CarbonylContact O-C 3.58Å; A295-N306 VanDerWaalsContact O-CA 3.28Å; A295-N306 WeakPolarHBondContact O-CA 3.4Å; A295-V307 HydrophobicContact CB-CB 4.26Å; A295-V307 PolarHBondContact N-O 2.9Å; A295-V307 PolarHBondContact O-N 2.96Å
296I95.2Very high93.1Very high3 Ų338.3 Ų38.32%0.01521%0.214CC..EExtended strand (participates in β ladder)trans-90.3130.2173.6-57.3-56.5000108.7I242 I243 G244 L246 V294 N306 F323 F336I242-I296 CarbonylContact C-O 3.56Å; I242-I296 WeakPolarHBondContact CA-O 3.47Å; I243-I296 HydrophobicContact CD1-CG2 3.85Å; I243-I296 HydrophobicContact CG1-CB 4.19Å; I243-I296 HydrophobicContact CG1-CG2 3.85Å; I243-I296 WeakPolarHBondContact CG1-O 3.43Å; I243-I296 PolarHBondContact N-O 2.77Å; G244-I296 PolarHBondContact N-O 3.49Å; G244-I296 PolarHBondContact O-N 2.92Å; L246-I296 HydrophobicContact CB-CG1 4.45Å; L246-I296 HydrophobicContact CD1-CD1 3.83Å; L246-I296 HydrophobicContact CD1-CG1 3.62Å; L246-I296 HydrophobicContact CG-CD1 4.35Å; L246-I296 HydrophobicContact CG-CG1 3.8Å; V294-I296 HydrophobicContact CG2-CD1 4.31Å; I296-N306 HydrophobicContact CD1-CB 3.87Å; I296-F323 HydrophobicContact CD1-CE2 4.37Å; I296-F336 HydrophobicContact CD1-CE1 4.35Å; I296-F336 HydrophobicContact CG1-CE1 4.38Å; I296-F336 HydrophobicContact CG2-CD1 3.81Å; I296-F336 HydrophobicContact CG2-CE1 3.71Å; I296-F336 HydrophobicContact CG2-CZ 4.46Å
297C95.2Very high93.3Very high0 Ų034.7 Ų34.70%020%0.195CC..EExtended strand (participates in β ladder)trans-121.1139-175.6-54.90000110.7L240 E241 Y304 A305 V307L240-C297 HydrophobicContact CD1-CB 3.94Å; E241-C297 CarbonylContact O-C 3.53Å; E241-C297 WeakPolarHBondContact O-CA 3.32Å; C297-Y304 CarbonylContact O-C 3.44Å; C297-Y304 VanDerWaalsContact O-CA 3.29Å; C297-Y304 WeakPolarHBondContact O-CA 3.41Å; C297-A305 PolarHBondContact N-O 2.85Å; C297-A305 PolarHBondContact O-N 3.24Å; C297-V307 WeakPolarHBondContact SG-CG2 3.47Å
298K95.1Very high93.3Very high73 Ų7333.4 Ų33.432%0.31718%0.183SC..EExtended strand (participates in β ladder)trans-87.3124.3163.5-174.7-178178.3-170.40108E241 I243 G300 Y304E241-K298 PolarHBondContact N-O 2.77Å; E241-K298 VanDerWaalsContact N-O 3.15Å; E241-K298 PolarHBondContact O-N 2.83Å; I243-K298 HydrophobicContact CG2-CB 3.99Å; K298-G300 VanDerWaalsContact CE-O 3.3Å; K298-G300 WeakPolarHBondContact CE-O 3.47Å; K298-G300 WeakPolarHBondContact CG-O 3.22Å; K298-Y304 HydrophobicContact CB-CD1 4.35Å; K298-Y304 HydrophobicContact CB-CE1 4.33Å; K298-Y304 HydrophobicContact CG-CE1 4.27Å
299I94.3Very high93.2Very high0 Ų035 Ų350%019%0.193CC..EExtended strand (participates in β ladder)trans-109-18-179.356.1170000113.7F237 D238 Q239 L240 W303 A305 C322F237-I299 HydrophobicContact CD2-CB 4.16Å; F237-I299 HydrophobicContact CE2-CB 4.36Å; F237-I299 HydrophobicContact CE2-CG2 4.43Å; D238-I299 PolarHBondContact N-O 3.36Å; Q239-I299 CarbonylContact O-C 3.58Å; Q239-I299 WeakPolarHBondContact O-CA 3.5Å; L240-I299 HydrophobicContact CD1-CG2 3.67Å; I299-W303 HydrophobicContact CD1-CB 4.4Å; I299-W303 HydrophobicContact CD1-CD2 3.34Å; I299-W303 HydrophobicContact CD1-CE3 3.84Å; I299-W303 HydrophobicContact CD1-CG 3.59Å; I299-W303 HydrophobicContact CD1-CH2 4.38Å; I299-W303 HydrophobicContact CD1-CZ2 3.94Å; I299-W303 HydrophobicContact CD1-CZ3 4.33Å; I299-W303 HydrophobicContact CG1-CB 3.92Å; I299-W303 HydrophobicContact CG1-CD2 3.75Å; I299-W303 HydrophobicContact CG1-CE3 4.11Å; I299-W303 HydrophobicContact CG1-CG 3.65Å; I299-W303 WeakPolarHBondContact CG1-O 3.46Å; I299-W303 PolarHBondContact N-O 3.34Å; I299-A305 HydrophobicContact CD1-CB 4.19Å; I299-A305 HydrophobicContact CG2-CB 3.94Å; I299-C322 HydrophobicContact CD1-CB 4.05Å
300G92.7Very high93.2Very high1 Ų138.2 Ų38.21%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-170.1-167177.800000111.9K298 D302 W303K298-G300 VanDerWaalsContact CE-O 3.3Å; K298-G300 WeakPolarHBondContact CE-O 3.47Å; K298-G300 WeakPolarHBondContact CG-O 3.22Å; G300-D302 PolarHBondContact O-N 2.9Å; G300-W303 PolarHBondContact N-O 3.48Å
301E90.2Very high92.8Very high126 Ų12635.1 Ų35.159%0.58919%0.191SC*.THydrogen-bonded Turntrans-70.2116.7171.9-166.6-162.4133.300109.8K233 Y235 W303K233-E301 IonicContact NZ-OE1 3.97Å; K233-E301 PolarHBondContact NZ-OE1 2.78Å; Y235-E301 WeakPolarHBondContact CD1-O 3.15Å; E301-W303 PolarHBondContact O-N 2.65Å
302D89.4Confident92.2Very high21 Ų2135.5 Ų35.511%0.11219%0.193CC..THydrogen-bonded Turntrans5433.9-175-60.3-34000114.3K233 Y235 G300 G326 R337K233-D302 IonicContact NZ-OD2 3.79Å; Y235-D302 HydrophobicContact CE1-CB 4.18Å; G300-D302 PolarHBondContact O-N 2.9Å; D302-G326 PolarHBondContact O-N 3.46Å; D302-R337 IonicContact OD1-CZ 2.98Å; D302-R337 IonicContact OD1-NE 2.79Å; D302-R337 PolarHBondContact OD1-NE 2.78Å; D302-R337 IonicContact OD1-NH2 2.98Å; D302-R337 PolarHBondContact OD1-NH2 3.16Å; D302-R337 IonicContact OD2-CZ 3.85Å; D302-R337 IonicContact OD2-NH2 2.96Å; D302-R337 PolarHBondContact OD2-NH2 3.05Å
303W93.6Very high91.5Very high3 Ų341.6 Ų41.61%0.01121%0.213CC..EExtended strand (participates in β ladder)trans-134.2122.3177.1-161.119.5000110.3L221 I299 G300 E301 C322 F323 P325L221-W303 HydrophobicContact CD2-CH2 4.28Å; I299-W303 HydrophobicContact CD1-CB 4.4Å; I299-W303 HydrophobicContact CD1-CD2 3.34Å; I299-W303 HydrophobicContact CD1-CE3 3.84Å; I299-W303 HydrophobicContact CD1-CG 3.59Å; I299-W303 HydrophobicContact CD1-CH2 4.38Å; I299-W303 HydrophobicContact CD1-CZ2 3.94Å; I299-W303 HydrophobicContact CD1-CZ3 4.33Å; I299-W303 HydrophobicContact CG1-CB 3.92Å; I299-W303 HydrophobicContact CG1-CD2 3.75Å; I299-W303 HydrophobicContact CG1-CE3 4.11Å; I299-W303 HydrophobicContact CG1-CG 3.65Å; I299-W303 WeakPolarHBondContact CG1-O 3.46Å; I299-W303 PolarHBondContact N-O 3.34Å; G300-W303 PolarHBondContact N-O 3.48Å; E301-W303 PolarHBondContact O-N 2.65Å; W303-C322 HydrophobicContact CZ2-CB 4.4Å; W303-F323 PolarHBondContact NE1-O 3.47Å; W303-P325 HydrophobicContact CD2-CG 4.43Å; W303-P325 HydrophobicContact CG-CB 4.28Å; W303-P325 HydrophobicContact CG-CG 4.3Å
304Y94.7Very high90.6Very high14 Ų1443.5 Ų43.56%0.05523%0.23CC..EExtended strand (participates in β ladder)trans-126.1156.3-171.8-59.6-86.2000110.2I243 C297 K298 F323 F336 R337I243-Y304 HydrophobicContact CD1-CD1 3.97Å; I243-Y304 HydrophobicContact CD1-CE1 3.9Å; C297-Y304 CarbonylContact O-C 3.44Å; C297-Y304 VanDerWaalsContact O-CA 3.29Å; C297-Y304 WeakPolarHBondContact O-CA 3.41Å; K298-Y304 HydrophobicContact CB-CD1 4.35Å; K298-Y304 HydrophobicContact CB-CE1 4.33Å; K298-Y304 HydrophobicContact CG-CE1 4.27Å; Y304-F323 WeakPolarHBondContact O-CB 3.5Å; Y304-F323 WeakPolarHBondContact O-CD2 3.39Å; Y304-F323 PolarHBondContact O-N 2.87Å; Y304-F336 HydrophobicContact CD1-CB 3.81Å; Y304-F336 HydrophobicContact CD1-CD2 4.17Å; Y304-F336 HydrophobicContact CD1-CG 4.03Å; Y304-F336 HydrophobicContact CD2-CB 3.99Å; Y304-F336 AromaticContact CD2-CD2 3.55Å; Y304-F336 HydrophobicContact CD2-CD2 3.55Å; Y304-F336 HydrophobicContact CD2-CE2 4.42Å; Y304-F336 HydrophobicContact CD2-CG 4.1Å; Y304-F336 HydrophobicContact CE1-CB 3.61Å; Y304-F336 HydrophobicContact CE1-CG 4.34Å; Y304-F336 HydrophobicContact CE2-CB 3.82Å; Y304-F336 HydrophobicContact CE2-CD2 4.17Å; Y304-F336 HydrophobicContact CE2-CG 4.42Å; Y304-F336 HydrophobicContact CG-CB 3.98Å; Y304-F336 AromaticContact CG-CD2 3.55Å; Y304-F336 HydrophobicContact CG-CD2 3.55Å; Y304-F336 HydrophobicContact CG-CE2 4.22Å; Y304-F336 AromaticContact CG-CG 3.89Å; Y304-F336 HydrophobicContact CG-CG 3.89Å; Y304-R337 VanDerWaalsContact OH-CG 3.3Å; Y304-R337 WeakPolarHBondContact OH-CG 3.48Å
305A95.4Very high89.9Confident0 Ų049.5 Ų49.50%025%0.252CS..EExtended strand (participates in β ladder)trans-142.2161.3176.600000110C297 I299 L320 N321 C322C297-A305 PolarHBondContact N-O 2.85Å; C297-A305 PolarHBondContact O-N 3.24Å; I299-A305 HydrophobicContact CD1-CB 4.19Å; I299-A305 HydrophobicContact CG2-CB 3.94Å; A305-L320 HydrophobicContact CB-CD1 3.58Å; A305-L320 HydrophobicContact CB-CG 4.22Å; A305-N321 CarbonylContact C-O 3.59Å; A305-N321 WeakPolarHBondContact CA-O 3.4Å; A305-N321 WeakPolarHBondContact CB-O 3.36Å; A305-C322 HydrophobicContact CB-CB 4.47Å
306N95.3Very high89.4Confident3 Ų351.9 Ų51.92%0.01627%0.269CS..EExtended strand (participates in β ladder)trans-107.1147.9162.171.768.6000110.5L251 V294 A295 I296 N321 F323L251-N306 HydrophobicContact CD2-CB 4.33Å; V294-N306 HydrophobicContact CB-CB 4.48Å; A295-N306 CarbonylContact O-C 3.58Å; A295-N306 VanDerWaalsContact O-CA 3.28Å; A295-N306 WeakPolarHBondContact O-CA 3.4Å; I296-N306 HydrophobicContact CD1-CB 3.87Å; N306-N321 PolarHBondContact N-O 3.46Å; N306-N321 PolarHBondContact O-N 3.32Å; N306-N321 WeakPolarHBondContact OD1-CB 3.36Å; N306-N321 PolarHBondContact OD1-ND2 3.36Å; N306-F323 HydrophobicContact CB-CE2 4.24Å; N306-F323 HydrophobicContact CB-CZ 3.89Å; N306-F323 WeakPolarHBondContact ND2-CE1 3.32Å; N306-F323 WeakPolarHBondContact ND2-CZ 3.33Å
307V95.9Very high89.1Confident0 Ų053.6 Ų53.60%028%0.276CS..EExtended strand (participates in β ladder)trans-110120.9168.9172.60000107.5L262 L288 A295 C297 L318 S319 L320L262-V307 HydrophobicContact CD1-CG1 4.06Å; L262-V307 HydrophobicContact CD1-CG2 3.87Å; L288-V307 HydrophobicContact CD1-CG1 4.3Å; A295-V307 HydrophobicContact CB-CB 4.26Å; A295-V307 PolarHBondContact N-O 2.9Å; A295-V307 PolarHBondContact O-N 2.96Å; C297-V307 WeakPolarHBondContact SG-CG2 3.47Å; V307-L318 HydrophobicContact CG1-CB 4.11Å; V307-L318 HydrophobicContact CG1-CD1 4.13Å; V307-L318 HydrophobicContact CG1-CD2 3.87Å; V307-L318 HydrophobicContact CG1-CG 4.27Å; V307-S319 VanDerWaalsContact CA-O 3.3Å; V307-S319 WeakPolarHBondContact CA-O 3.15Å; V307-L320 HydrophobicContact CG2-CD1 3.58Å
308C93.8Very high89.1Confident23 Ų2353.6 Ų53.616%0.15528%0.276CS..EExtended strand (participates in β ladder)trans-126.5148.2178.169.20000111.2V294 S319 N321V294-C308 HydrophobicContact CG1-CB 3.93Å; C308-S319 PolarHBondContact N-O 3.26Å; C308-S319 PolarHBondContact O-N 3.1Å; C308-N321 PolarHBondContact SG-ND2 2.94Å
309P92.9Very high89Confident37 Ų3750.8 Ų50.824%0.2427%0.266CS..EExtended strand (participates in β ladder)trans-75.9136.2173.632.6-33.5000109.5R285 L288 A289 L318R285-P309 HydrophobicContact CG-CB 4.48Å; L288-P309 HydrophobicContact CB-CG 3.87Å; A289-P309 HydrophobicContact CB-CB 4.03Å; A289-P309 HydrophobicContact CB-CG 4.03Å; P309-L318 HydrophobicContact CB-CD2 4.35Å
310Y88.9Confident89Confident127 Ų12750.8 Ų50.850%0.49827%0.266SS..EExtended strand (participates in β ladder)trans-121.4130.4170.8-171.6-90.8000109.2S316 F317Y310-S316 CarbonylContact O-C 3.48Å; Y310-S316 VanDerWaalsContact O-CA 3.27Å; Y310-S316 WeakPolarHBondContact O-CA 3.29Å; Y310-F317 HydrophobicContact CD1-CD1 4.32Å; Y310-F317 AromaticContact CD1-CE1 3.48Å; Y310-F317 HydrophobicContact CD1-CE1 3.48Å; Y310-F317 VanDerWaalsContact CD1-CE1 3.48Å; Y310-F317 AromaticContact CD1-CE2 3.97Å; Y310-F317 HydrophobicContact CD1-CE2 3.97Å; Y310-F317 AromaticContact CD1-CZ 3.26Å; Y310-F317 HydrophobicContact CD1-CZ 3.26Å; Y310-F317 HydrophobicContact CE1-CE1 4.11Å; Y310-F317 AromaticContact CE1-CZ 3.94Å; Y310-F317 HydrophobicContact CE1-CZ 3.94Å; Y310-F317 HydrophobicContact CG-CE1 4.35Å; Y310-F317 HydrophobicContact CG-CE2 4.05Å; Y310-F317 AromaticContact CG-CZ 3.8Å; Y310-F317 HydrophobicContact CG-CZ 3.8Å; Y310-F317 PolarHBondContact N-O 3.43Å; Y310-F317 PolarHBondContact O-N 2.79Å; Y310-F317 VanDerWaalsContact O-O 3.13Å
311S83.6Confident89.1Confident99 Ų9951.5 Ų51.569%0.69227%0.27SS*.EExtended strand (participates in β ladder)trans-128.8121.3175.858.40000109.7
312S79Confident89.3Confident61 Ų6145.5 Ų45.543%0.42724%0.242SC..  trans-107.7167.71641770000108.9T314 R315S312-T314 PolarHBondContact O-N 2.94Å; S312-R315 PolarHBondContact N-O 2.82Å; S312-R315 PolarHBondContact O-N 2.61Å
313E74.4Confident89.5Confident201 Ų20144.5 Ų44.594%0.93924%0.236SC*.SBendtrans-51.1-31.9179-64.6-175.6168.800112.9
314T72.9Confident89.3Confident120 Ų12048 Ų4874%0.73625%0.252SS*.SBendtrans-101-24.5-174.157.90000114.2S312S312-T314 PolarHBondContact O-N 2.94Å
315R78.8Confident89.2Confident127 Ų12747.9 Ų47.948%0.47925%0.254SS..  trans-151.6144.2-169.2-63.4-171.3-175.5-161.52112.4S312S312-R315 PolarHBondContact N-O 2.82Å; S312-R315 PolarHBondContact O-N 2.61Å
316S85.5Confident88.8Confident50 Ų5048.8 Ų48.835%0.3526%0.263SS..EExtended strand (participates in β ladder)trans-124.2130.6169.456.30000110.2R285 Y310R285-S316 VanDerWaalsContact CZ-OG 3.24Å; R285-S316 PolarHBondContact NH1-O 3.49Å; R285-S316 PolarHBondContact NH1-OG 2.84Å; R285-S316 PolarHBondContact NH2-OG 3.15Å; Y310-S316 CarbonylContact O-C 3.48Å; Y310-S316 VanDerWaalsContact O-CA 3.27Å; Y310-S316 WeakPolarHBondContact O-CA 3.29Å
317F90.2Very high88.3Confident39 Ų3952.3 Ų52.317%0.17128%0.282CS..EExtended strand (participates in β ladder)trans-147.3168-178.657.1-96.5000110.5I261 Y310I261-F317 HydrophobicContact CB-CD2 4.43Å; I261-F317 HydrophobicContact CD1-CE2 4.24Å; I261-F317 HydrophobicContact CD1-CZ 4.29Å; I261-F317 HydrophobicContact CG1-CD2 4.22Å; I261-F317 HydrophobicContact CG1-CE2 3.89Å; I261-F317 HydrophobicContact CG1-CZ 4.42Å; I261-F317 HydrophobicContact CG2-CB 4.16Å; I261-F317 HydrophobicContact CG2-CD2 3.69Å; I261-F317 HydrophobicContact CG2-CE2 4.24Å; I261-F317 HydrophobicContact CG2-CG 3.96Å; Y310-F317 HydrophobicContact CD1-CD1 4.32Å; Y310-F317 AromaticContact CD1-CE1 3.48Å; Y310-F317 HydrophobicContact CD1-CE1 3.48Å; Y310-F317 VanDerWaalsContact CD1-CE1 3.48Å; Y310-F317 AromaticContact CD1-CE2 3.97Å; Y310-F317 HydrophobicContact CD1-CE2 3.97Å; Y310-F317 AromaticContact CD1-CZ 3.26Å; Y310-F317 HydrophobicContact CD1-CZ 3.26Å; Y310-F317 HydrophobicContact CE1-CE1 4.11Å; Y310-F317 AromaticContact CE1-CZ 3.94Å; Y310-F317 HydrophobicContact CE1-CZ 3.94Å; Y310-F317 HydrophobicContact CG-CE1 4.35Å; Y310-F317 HydrophobicContact CG-CE2 4.05Å; Y310-F317 AromaticContact CG-CZ 3.8Å; Y310-F317 HydrophobicContact CG-CZ 3.8Å; Y310-F317 PolarHBondContact N-O 3.43Å; Y310-F317 PolarHBondContact O-N 2.79Å; Y310-F317 VanDerWaalsContact O-O 3.13Å
318L93.8Very high87.8Confident0 Ų055.3 Ų55.30%030%0.298CS..EExtended strand (participates in β ladder)trans-91.9129.1169.1-74.7176.9000109.6L262 Y281 L284 R285 L288 V307 P309L262-L318 HydrophobicContact CB-CB 3.99Å; L262-L318 WeakPolarHBondContact CB-O 3.18Å; L262-L318 HydrophobicContact CD1-CB 4.16Å; L262-L318 HydrophobicContact CG-CB 4.5Å; L262-L318 PolarHBondContact N-O 3.06Å; Y281-L318 HydrophobicContact CD2-CD1 3.9Å; Y281-L318 HydrophobicContact CE2-CB 4.06Å; Y281-L318 HydrophobicContact CE2-CD1 3.74Å; Y281-L318 HydrophobicContact CE2-CG 4.12Å; Y281-L318 PolarHBondContact OH-N 2.88Å; Y281-L318 VanDerWaalsContact OH-N 3.17Å; L284-L318 HydrophobicContact CD2-CD1 4.02Å; L284-L318 HydrophobicContact CG-CD1 4.33Å; R285-L318 HydrophobicContact CB-CD1 4.24Å; R285-L318 HydrophobicContact CB-CD2 3.93Å; R285-L318 HydrophobicContact CB-CG 3.9Å; R285-L318 HydrophobicContact CG-CD2 3.99Å; R285-L318 HydrophobicContact CG-CG 4.07Å; L288-L318 HydrophobicContact CD1-CD2 4.18Å; V307-L318 HydrophobicContact CG1-CB 4.11Å; V307-L318 HydrophobicContact CG1-CD1 4.13Å; V307-L318 HydrophobicContact CG1-CD2 3.87Å; V307-L318 HydrophobicContact CG1-CG 4.27Å; P309-L318 HydrophobicContact CB-CD2 4.35Å
319S93.4Very high87.5Confident15 Ų1555.1 Ų55.111%0.10530%0.296CS..EExtended strand (participates in β ladder)trans-96.8129172.8-171.80000109.2H260 V307 C308 N321H260-S319 CarbonylContact O-C 3.58Å; H260-S319 WeakPolarHBondContact O-CA 3.48Å; H260-S319 PolarHBondContact O-OG 2.99Å; V307-S319 VanDerWaalsContact CA-O 3.3Å; V307-S319 WeakPolarHBondContact CA-O 3.15Å; C308-S319 PolarHBondContact N-O 3.26Å; C308-S319 PolarHBondContact O-N 3.1Å; S319-N321 PolarHBondContact OG-OD1 2.97Å
320L94.9Very high87.3Confident0 Ų053.3 Ų53.30%028%0.284CS..EExtended strand (participates in β ladder)trans-96.7114.4168.8179.274.8000108.6I217 L221 L240 H260 L262 A305 V307I217-L320 HydrophobicContact CD1-CD2 3.93Å; I217-L320 HydrophobicContact CG1-CD2 4.48Å; I217-L320 HydrophobicContact CG2-CD2 4.09Å; L221-L320 HydrophobicContact CD1-CD2 4.41Å; L240-L320 HydrophobicContact CD1-CD1 3.81Å; L240-L320 HydrophobicContact CD1-CD2 4.41Å; H260-L320 HydrophobicContact CB-CB 4.26Å; H260-L320 PolarHBondContact N-O 2.84Å; H260-L320 PolarHBondContact O-N 2.76Å; L262-L320 HydrophobicContact CD1-CB 4.2Å; L262-L320 HydrophobicContact CD2-CB 3.98Å; L262-L320 HydrophobicContact CD2-CD2 4.3Å; L262-L320 HydrophobicContact CG-CB 3.91Å; A305-L320 HydrophobicContact CB-CD1 3.58Å; A305-L320 HydrophobicContact CB-CG 4.22Å; V307-L320 HydrophobicContact CG2-CD1 3.58Å
321N94.3Very high87.2Confident16 Ų1650.1 Ų50.19%0.08628%0.279CS..EExtended strand (participates in β ladder)trans-109.6103.2-179.1-60.7-37.3000108.7V256 A305 N306 C308 S319V256-N321 HydrophobicContact CB-CB 4.38Å; V256-N321 HydrophobicContact CG1-CB 3.61Å; V256-N321 HydrophobicContact CG2-CB 3.79Å; A305-N321 CarbonylContact C-O 3.59Å; A305-N321 WeakPolarHBondContact CA-O 3.4Å; A305-N321 WeakPolarHBondContact CB-O 3.36Å; N306-N321 PolarHBondContact N-O 3.46Å; N306-N321 PolarHBondContact O-N 3.32Å; N306-N321 WeakPolarHBondContact OD1-CB 3.36Å; N306-N321 PolarHBondContact OD1-ND2 3.36Å; C308-N321 PolarHBondContact SG-ND2 2.94Å; S319-N321 PolarHBondContact OG-OD1 2.97Å
322C93.9Very high87.3Confident0 Ų048.8 Ų48.80%026%0.259CS..EExtended strand (participates in β ladder)trans-79129.3-178.7-58.10000110.1L221 V256 F257 T258 I299 W303 A305L221-C322 VanDerWaalsContact CD2-SG 3.57Å; V256-C322 VanDerWaalsContact CG1-O 3.29Å; V256-C322 WeakPolarHBondContact CG1-O 3.2Å; F257-C322 PolarHBondContact N-O 3.12Å; T258-C322 PolarHBondContact N-O 2.86Å; T258-C322 PolarHBondContact O-N 3.39Å; T258-C322 WeakPolarHBondContact OG1-CB 3.39Å; I299-C322 HydrophobicContact CD1-CB 4.05Å; W303-C322 HydrophobicContact CZ2-CB 4.4Å; A305-C322 HydrophobicContact CB-CB 4.47Å
323F93.9Very high87.7Confident0 Ų046.5 Ų46.50%024%0.242CC..PPolyproline II helixtrans-75.9167.7172.4-59.3-58.7000110.6L251 A254 I296 W303 Y304 N306 P329 V330 F336L251-F323 HydrophobicContact CD1-CE1 4.16Å; L251-F323 HydrophobicContact CD1-CZ 3.78Å; A254-F323 HydrophobicContact CB-CE1 3.93Å; I296-F323 HydrophobicContact CD1-CE2 4.37Å; W303-F323 PolarHBondContact NE1-O 3.47Å; Y304-F323 WeakPolarHBondContact O-CB 3.5Å; Y304-F323 WeakPolarHBondContact O-CD2 3.39Å; Y304-F323 PolarHBondContact O-N 2.87Å; N306-F323 HydrophobicContact CB-CE2 4.24Å; N306-F323 HydrophobicContact CB-CZ 3.89Å; N306-F323 WeakPolarHBondContact ND2-CE1 3.32Å; N306-F323 WeakPolarHBondContact ND2-CZ 3.33Å; F323-P329 HydrophobicContact CB-CB 3.87Å; F323-P329 HydrophobicContact CB-CG 3.96Å; F323-P329 HydrophobicContact CG-CG 4.45Å; F323-V330 HydrophobicContact CD1-CG2 3.92Å; F323-V330 HydrophobicContact CE1-CG2 3.92Å; F323-V330 HydrophobicContact CG-CG2 4.37Å; F323-V330 HydrophobicContact CZ-CG2 4.36Å; F323-F336 AromaticContact CD2-CE2 3.79Å; F323-F336 HydrophobicContact CD2-CE2 3.79Å; F323-F336 AromaticContact CD2-CZ 3.87Å; F323-F336 HydrophobicContact CD2-CZ 3.87Å; F323-F336 HydrophobicContact CE2-CE1 4.49Å; F323-F336 AromaticContact CE2-CE2 3.99Å; F323-F336 HydrophobicContact CE2-CE2 3.99Å; F323-F336 AromaticContact CE2-CZ 3.55Å; F323-F336 HydrophobicContact CE2-CZ 3.55Å; F323-F336 HydrophobicContact CZ-CZ 4.29Å
324E90.6Very high88.3Confident75 Ų7537.3 Ų37.335%0.3520%0.201SC..PPolyproline II helixtrans-57.8136.1169-173.365.5-175.500109.4R226 F257 P329R226-E324 IonicContact CZ-OE1 3.94Å; R226-E324 IonicContact CZ-OE2 3.84Å; R226-E324 IonicContact NE-OE1 3.96Å; R226-E324 PolarHBondContact NE-OE1 2.85Å; R226-E324 VanDerWaalsContact NH2-CD 3.32Å; R226-E324 IonicContact NH2-OE1 3.98Å; R226-E324 PolarHBondContact NH2-OE1 2.82Å; R226-E324 IonicContact NH2-OE2 2.86Å; R226-E324 PolarHBondContact NH2-OE2 3.34Å; F257-E324 WeakPolarHBondContact CD2-OE2 3.35Å; F257-E324 WeakPolarHBondContact CG-OE2 3.41Å; E324-P329 HydrophobicContact CB-CB 4.38Å; E324-P329 VanDerWaalsContact O-CB 3.22Å; E324-P329 WeakPolarHBondContact O-CB 3.47Å
325P91Very high89Confident13 Ų1331.8 Ų31.88%0.08417%0.167CC..SBendtrans-64.5137.1176.1-17.728.9000111.5C224 Y235 W303C224-P325 HydrophobicContact CB-CG 4.15Å; Y235-P325 HydrophobicContact CD1-CB 3.51Å; Y235-P325 HydrophobicContact CD1-CG 4.49Å; Y235-P325 HydrophobicContact CD2-CB 3.69Å; Y235-P325 HydrophobicContact CD2-CG 4.19Å; Y235-P325 HydrophobicContact CE1-CB 3.62Å; Y235-P325 HydrophobicContact CE2-CB 3.83Å; Y235-P325 HydrophobicContact CG-CB 3.52Å; Y235-P325 HydrophobicContact CG-CG 4.09Å; W303-P325 HydrophobicContact CD2-CG 4.43Å; W303-P325 HydrophobicContact CG-CB 4.28Å; W303-P325 HydrophobicContact CG-CG 4.3Å
326G88.2Confident89.4Confident18 Ų1826 Ų2619%0.18615%0.146CC..SBendtrans147.7174.3-176.200000113.2D302D302-G326 PolarHBondContact O-N 3.46Å
327D84Confident89.5Confident78 Ų7830.9 Ų30.942%0.41716%0.156SC..SBendtrans-75.9-37.4-177.5-170.235.7000112.5S335 R337D327-S335 WeakPolarHBondContact O-CA 2.98Å; D327-S335 VanDerWaalsContact O-CB 3.31Å; D327-S335 WeakPolarHBondContact O-CB 3.37Å; D327-S335 PolarHBondContact O-OG 2.99Å; D327-S335 WeakPolarHBondContact OD1-CB 3.38Å; D327-S335 PolarHBondContact OD1-OG 3.23Å; D327-R337 WeakPolarHBondContact OD1-CD 3.44Å; D327-R337 IonicContact OD1-NE 3.98Å
328D86.2Confident89.3Confident63 Ų6337.2 Ų37.234%0.33718%0.179SC..  trans-130.472.7-177.2-170.510.1000111.7V330 P331 G334D328-V330 VanDerWaalsContact C-N 3.27Å; D328-V330 PolarHBondContact O-N 3.36Å; D328-P331 WeakPolarHBondContact OD1-CA 3.45Å; D328-G334 VanDerWaalsContact OD1-C 3.26Å; D328-G334 VanDerWaalsContact OD1-CA 3.31Å; D328-G334 WeakPolarHBondContact OD1-CA 3.32Å
329P86.9Confident88.8Confident18 Ų1840.1 Ų40.112%0.11719%0.193CC..SBendtrans-77.8-15.1-17835-39.4000113.2F323 E324 F336F323-P329 HydrophobicContact CB-CB 3.87Å; F323-P329 HydrophobicContact CB-CG 3.96Å; F323-P329 HydrophobicContact CG-CG 4.45Å; E324-P329 HydrophobicContact CB-CB 4.38Å; E324-P329 VanDerWaalsContact O-CB 3.22Å; E324-P329 WeakPolarHBondContact O-CB 3.47Å; P329-F336 HydrophobicContact CG-CD2 3.93Å; P329-F336 HydrophobicContact CG-CE2 3.49Å; P329-F336 VanDerWaalsContact CG-CE2 3.49Å
330V89.7Confident88.3Confident0 Ų047.5 Ų47.50%023%0.226CC..SBendtrans-130.290.1178.9-173.40000108.1A254 F323 D328 W332 L333 G334A254-V330 HydrophobicContact CB-CB 4.47Å; A254-V330 HydrophobicContact CB-CG1 3.8Å; A254-V330 HydrophobicContact CB-CG2 3.74Å; F323-V330 HydrophobicContact CD1-CG2 3.92Å; F323-V330 HydrophobicContact CE1-CG2 3.92Å; F323-V330 HydrophobicContact CG-CG2 4.37Å; F323-V330 HydrophobicContact CZ-CG2 4.36Å; D328-V330 VanDerWaalsContact C-N 3.27Å; D328-V330 PolarHBondContact O-N 3.36Å; V330-W332 VanDerWaalsContact C-N 3.26Å; V330-W332 HydrophobicContact CG1-CD2 3.69Å; V330-W332 HydrophobicContact CG1-CE3 4.15Å; V330-W332 HydrophobicContact CG1-CG 4.28Å; V330-W332 HydrophobicContact CG1-CH2 3.94Å; V330-W332 HydrophobicContact CG1-CZ2 3.42Å; V330-W332 VanDerWaalsContact CG1-CZ2 3.42Å; V330-W332 HydrophobicContact CG1-CZ3 4.27Å; V330-W332 PolarHBondContact O-N 3.38Å; V330-L333 HydrophobicContact CB-CB 4.22Å; V330-L333 HydrophobicContact CB-CD1 4Å; V330-L333 HydrophobicContact CB-CG 4.21Å; V330-L333 HydrophobicContact CG1-CB 4.19Å; V330-L333 HydrophobicContact CG1-CD1 3.75Å; V330-L333 HydrophobicContact CG1-CG 3.73Å; V330-L333 HydrophobicContact CG2-CD1 4.5Å; V330-L333 WeakPolarHBondContact O-CB 3.47Å; V330-L333 PolarHBondContact O-N 2.79Å; V330-G334 PolarHBondContact O-N 2.9Å; V330-G334 VanDerWaalsContact O-N 3.16Å
331P86Confident87.8Confident59 Ų5954.9 Ų54.938%0.38327%0.265SS..THydrogen-bonded Turntrans-54.5-34.9-165.2-31.236000115.7D328 L333 G334 L355 P356D328-P331 WeakPolarHBondContact OD1-CA 3.45Å; P331-L333 VanDerWaalsContact C-N 3.33Å; P331-G334 PolarHBondContact O-N 2.88Å; P331-L355 HydrophobicContact CB-CD2 4.11Å; P331-P356 WeakPolarHBondContact O-CD 3.36Å
332W86.7Confident87Confident71 Ų7160.6 Ų60.627%0.26929%0.294SS..THydrogen-bonded Turntrans-75.6-21.4-18058.988.3000113.9D250 L251 A252 A254 V330 L355D250-W332 PolarHBondContact O-NE1 3.02Å; D250-W332 VanDerWaalsContact O-NE1 3.16Å; L251-W332 WeakPolarHBondContact O-CZ2 3.49Å; A252-W332 HydrophobicContact CB-CZ2 4.22Å; A254-W332 HydrophobicContact CB-CH2 4.35Å; A254-W332 HydrophobicContact CB-CZ2 3.86Å; V330-W332 VanDerWaalsContact C-N 3.26Å; V330-W332 HydrophobicContact CG1-CD2 3.69Å; V330-W332 HydrophobicContact CG1-CE3 4.15Å; V330-W332 HydrophobicContact CG1-CG 4.28Å; V330-W332 HydrophobicContact CG1-CH2 3.94Å; V330-W332 HydrophobicContact CG1-CZ2 3.42Å; V330-W332 VanDerWaalsContact CG1-CZ2 3.42Å; V330-W332 HydrophobicContact CG1-CZ3 4.27Å; V330-W332 PolarHBondContact O-N 3.38Å; W332-L355 HydrophobicContact CB-CD2 3.95Å; W332-L355 HydrophobicContact CB-CG 4.02Å
333L87.4Confident86Confident14 Ų1466.4 Ų66.47%0.07332%0.321CS..THydrogen-bonded Turntrans-84-23.7171-64.1-177.1000111.5L246 L251 V330 P331 F336 M339 F353L246-L333 HydrophobicContact CD1-CD1 3.84Å; L246-L333 HydrophobicContact CD1-CD2 4.28Å; L251-L333 HydrophobicContact CD1-CD1 4.07Å; V330-L333 HydrophobicContact CB-CB 4.22Å; V330-L333 HydrophobicContact CB-CD1 4Å; V330-L333 HydrophobicContact CB-CG 4.21Å; V330-L333 HydrophobicContact CG1-CB 4.19Å; V330-L333 HydrophobicContact CG1-CD1 3.75Å; V330-L333 HydrophobicContact CG1-CG 3.73Å; V330-L333 HydrophobicContact CG2-CD1 4.5Å; V330-L333 WeakPolarHBondContact O-CB 3.47Å; V330-L333 PolarHBondContact O-N 2.79Å; P331-L333 VanDerWaalsContact C-N 3.33Å; L333-F336 HydrophobicContact CD1-CE1 4.34Å; L333-F336 HydrophobicContact CD1-CZ 4.3Å; L333-M339 HydrophobicContact CB-CE 3.67Å; L333-M339 HydrophobicContact CD1-CE 4.41Å; L333-M339 HydrophobicContact CG-CE 4.5Å; L333-F353 HydrophobicContact CD2-CB 4.21Å; L333-F353 HydrophobicContact CD2-CD1 3.59Å; L333-F353 HydrophobicContact CD2-CD2 3.94Å; L333-F353 HydrophobicContact CD2-CE1 3.91Å; L333-F353 HydrophobicContact CD2-CE2 4.24Å; L333-F353 HydrophobicContact CD2-CG 3.61Å; L333-F353 HydrophobicContact CD2-CZ 4.24Å
334G85Confident84.6Confident7 Ų771.4 Ų71.47%0.07235%0.354CS..  trans69.4-165.5-173.100000112D328 V330 P331 F336D328-G334 VanDerWaalsContact OD1-C 3.26Å; D328-G334 VanDerWaalsContact OD1-CA 3.31Å; D328-G334 WeakPolarHBondContact OD1-CA 3.32Å; V330-G334 PolarHBondContact O-N 2.9Å; V330-G334 VanDerWaalsContact O-N 3.16Å; P331-G334 PolarHBondContact O-N 2.88Å; G334-F336 PolarHBondContact O-N 3.36Å
335S88Confident83.1Confident4 Ų472.3 Ų72.33%0.02837%0.368CS..  trans-70.2126.3-177.1162.70000112D327 R337 R338D327-S335 WeakPolarHBondContact O-CA 2.98Å; D327-S335 VanDerWaalsContact O-CB 3.31Å; D327-S335 WeakPolarHBondContact O-CB 3.37Å; D327-S335 PolarHBondContact O-OG 2.99Å; D327-S335 WeakPolarHBondContact OD1-CB 3.38Å; D327-S335 PolarHBondContact OD1-OG 3.23Å; S335-R337 PolarHBondContact O-N 2.83Å; S335-R337 VanDerWaalsContact O-N 3.14Å; S335-R337 WeakPolarHBondContact OG-CB 3.45Å; S335-R337 PolarHBondContact OG-N 3.03Å; S335-R338 PolarHBondContact O-N 3.48Å
336F88.3Confident81.5Confident7 Ų774.2 Ų74.23%0.03139%0.385CS..G310 helixtrans-58.5-24.4175.4-72.5-68.9000113I296 Y304 F323 P329 L333 G334 R338 M339I296-F336 HydrophobicContact CD1-CE1 4.35Å; I296-F336 HydrophobicContact CG1-CE1 4.38Å; I296-F336 HydrophobicContact CG2-CD1 3.81Å; I296-F336 HydrophobicContact CG2-CE1 3.71Å; I296-F336 HydrophobicContact CG2-CZ 4.46Å; Y304-F336 HydrophobicContact CD1-CB 3.81Å; Y304-F336 HydrophobicContact CD1-CD2 4.17Å; Y304-F336 HydrophobicContact CD1-CG 4.03Å; Y304-F336 HydrophobicContact CD2-CB 3.99Å; Y304-F336 AromaticContact CD2-CD2 3.55Å; Y304-F336 HydrophobicContact CD2-CD2 3.55Å; Y304-F336 HydrophobicContact CD2-CE2 4.42Å; Y304-F336 HydrophobicContact CD2-CG 4.1Å; Y304-F336 HydrophobicContact CE1-CB 3.61Å; Y304-F336 HydrophobicContact CE1-CG 4.34Å; Y304-F336 HydrophobicContact CE2-CB 3.82Å; Y304-F336 HydrophobicContact CE2-CD2 4.17Å; Y304-F336 HydrophobicContact CE2-CG 4.42Å; Y304-F336 HydrophobicContact CG-CB 3.98Å; Y304-F336 AromaticContact CG-CD2 3.55Å; Y304-F336 HydrophobicContact CG-CD2 3.55Å; Y304-F336 HydrophobicContact CG-CE2 4.22Å; Y304-F336 AromaticContact CG-CG 3.89Å; Y304-F336 HydrophobicContact CG-CG 3.89Å; F323-F336 AromaticContact CD2-CE2 3.79Å; F323-F336 HydrophobicContact CD2-CE2 3.79Å; F323-F336 AromaticContact CD2-CZ 3.87Å; F323-F336 HydrophobicContact CD2-CZ 3.87Å; F323-F336 HydrophobicContact CE2-CE1 4.49Å; F323-F336 AromaticContact CE2-CE2 3.99Å; F323-F336 HydrophobicContact CE2-CE2 3.99Å; F323-F336 AromaticContact CE2-CZ 3.55Å; F323-F336 HydrophobicContact CE2-CZ 3.55Å; F323-F336 HydrophobicContact CZ-CZ 4.29Å; P329-F336 HydrophobicContact CG-CD2 3.93Å; P329-F336 HydrophobicContact CG-CE2 3.49Å; P329-F336 VanDerWaalsContact CG-CE2 3.49Å; L333-F336 HydrophobicContact CD1-CE1 4.34Å; L333-F336 HydrophobicContact CD1-CZ 4.3Å; G334-F336 PolarHBondContact O-N 3.36Å; F336-R338 PolarHBondContact O-N 3.31Å; F336-M339 HydrophobicContact CD1-CE 3.34Å; F336-M339 HydrophobicContact CD1-SD 3.49Å; F336-M339 WeakPolarHBondContact CD1-SD 2.97Å; F336-M339 HydrophobicContact CE1-CE 3.5Å; F336-M339 VanDerWaalsContact CE1-CE 3.5Å; F336-M339 HydrophobicContact CE1-SD 3.98Å; F336-M339 HydrophobicContact CG-CE 4.21Å; F336-M339 HydrophobicContact CZ-CE 4.49Å; F336-M339 PolarHBondContact O-N 2.89Å
337R86.9Confident79.9Confident152 Ų15283.6 Ų83.657%0.57442%0.415SS*.G310 helixtrans-67.1-24.6175.7-62.7178.3168-158-4113D302 Y304 D327 S335D302-R337 IonicContact OD1-CZ 2.98Å; D302-R337 IonicContact OD1-NE 2.79Å; D302-R337 PolarHBondContact OD1-NE 2.78Å; D302-R337 IonicContact OD1-NH2 2.98Å; D302-R337 PolarHBondContact OD1-NH2 3.16Å; D302-R337 IonicContact OD2-CZ 3.85Å; D302-R337 IonicContact OD2-NH2 2.96Å; D302-R337 PolarHBondContact OD2-NH2 3.05Å; Y304-R337 VanDerWaalsContact OH-CG 3.3Å; Y304-R337 WeakPolarHBondContact OH-CG 3.48Å; D327-R337 WeakPolarHBondContact OD1-CD 3.44Å; D327-R337 IonicContact OD1-NE 3.98Å; S335-R337 PolarHBondContact O-N 2.83Å; S335-R337 VanDerWaalsContact O-N 3.14Å; S335-R337 WeakPolarHBondContact OG-CB 3.45Å; S335-R337 PolarHBondContact OG-N 3.03Å
338R85.4Confident78.5Confident172 Ų17286.8 Ų86.865%0.64943%0.429SS*.G310 helixtrans-96.20.5-179-65.1-175.8-73164.3-5.5112.9S335 F336S335-R338 PolarHBondContact O-N 3.48Å; F336-R338 PolarHBondContact O-N 3.31Å
339M85Confident77.2Confident60 Ų6094.2 Ų94.230%0.29646%0.458SS..  trans-74.1134.4176.7-68.4-170.6-175.200110.3L333 F336L333-M339 HydrophobicContact CB-CE 3.67Å; L333-M339 HydrophobicContact CD1-CE 4.41Å; L333-M339 HydrophobicContact CG-CE 4.5Å; F336-M339 HydrophobicContact CD1-CE 3.34Å; F336-M339 HydrophobicContact CD1-SD 3.49Å; F336-M339 WeakPolarHBondContact CD1-SD 2.97Å; F336-M339 HydrophobicContact CE1-CE 3.5Å; F336-M339 VanDerWaalsContact CE1-CE 3.5Å; F336-M339 HydrophobicContact CE1-SD 3.98Å; F336-M339 HydrophobicContact CG-CE 4.21Å; F336-M339 HydrophobicContact CZ-CE 4.49Å; F336-M339 PolarHBondContact O-N 2.89Å
340E82.7Confident75.8Confident171 Ų17198 Ų9880%0.79948%0.481SS*.  trans-123.6162179.4-65.8-175.3175.300110.7
341L83.1Confident74.6Confident155 Ų155101.9 Ų101.981%0.81251%0.506SS*.  trans-68.5136.5172.1-68170.5000109.9Q343L341-Q343 PolarHBondContact O-N 3.35Å
342I78.7Confident73.8Confident136 Ų136103.8 Ų103.870%0.69752%0.518SS*.  trans-60.7114.6174.9-60.1171.3000108.5
343Q71.8Confident73.2Confident122 Ų122102.9 Ų102.957%0.5752%0.517SS*.  trans-70.9139.8171-64.9-163.64.400109.6L341 S345 X346L341-Q343 PolarHBondContact O-N 3.35Å; Q343-S345 PolarHBondContact O-N 3.16Å; Q343-A346 HydrophobicContact CB-CB 4.38Å; Q343-A346 WeakPolarHBondContact O-CB 3.31Å; Q343-A346 PolarHBondContact O-N 3.43Å
344P64Low72.2Confident105 Ų105108.5 Ų108.568%0.68254%0.542SS*.G310 helixtrans-56.7-27.1-178.4-24.532.2000114.1X346P344-A346 VanDerWaalsContact C-N 3.29Å
345S61Low71.3Confident94 Ų94113 Ų11366%0.65756%0.564SS**G310 helixtrans-75.2-15.5176.951.80000114Q343Q343-S345 PolarHBondContact O-N 3.16Å
346X56.2Low70.1Confident52 Ų52116 Ų11643%0.4358%0.584SS.*G310 helixtrans-102.719.5-171.100000113.4Q343 P344 M348Q343-A346 HydrophobicContact CB-CB 4.38Å; Q343-A346 WeakPolarHBondContact O-CB 3.31Å; Q343-A346 PolarHBondContact O-N 3.43Å; P344-A346 VanDerWaalsContact C-N 3.29Å; A346-M348 PolarHBondContact O-N 2.87Å
347W55.5Low68.9Low215 Ų215119.9 Ų119.981%0.81463%0.625SS**  trans-67.462165.1-59-16.2000110
348M54.7Low67.6Low146 Ų146116.8 Ų116.872%0.71962%0.624SS**  trans-93.3149.8-176.1-74.9-166.8-178.400110.6X346 T350A346-M348 PolarHBondContact O-N 2.87Å; M348-T350 PolarHBondContact O-N 2.6Å
349K57Low66.9Low219 Ų219116.1 Ų116.195%0.95263%0.633SS**SBendtrans-60.5-0.5-166.8-62.7175.4177.8177.50116.4
350T59.2Low66.4Low96 Ų96120.1 Ų120.159%0.58965%0.649SS**SBendtrans-109.5135.9-172.447.80000110.6M348M348-T350 PolarHBondContact O-N 2.6Å
351P64.7Low66.2Low82 Ų82114.2 Ų114.253%0.53263%0.625SS.*  trans-59.2131.7176.325.3-32.9000109.5F353P351-F353 VanDerWaalsContact C-N 3.27Å; P351-F353 PolarHBondContact O-N 2.78Å
352P67.5Low66.1Low99 Ų99109.9 Ų109.964%0.64361%0.608SS**SBendtrans-68.7-26.5-171.725-32.8000112.9
353F75.3Confident66.3Low52 Ų52112.7 Ų112.723%0.22861%0.611CS.*  trans-104.8120.2-176.8-54.7-63.6000110.4L246 D250 L333 P351L246-F353 HydrophobicContact CD2-CE1 4.43Å; L246-F353 HydrophobicContact CD2-CE2 3.92Å; L246-F353 HydrophobicContact CD2-CZ 3.46Å; L246-F353 VanDerWaalsContact CD2-CZ 3.46Å; D250-F353 HydrophobicContact CB-CD2 3.58Å; D250-F353 HydrophobicContact CB-CE2 3.67Å; D250-F353 VanDerWaalsContact CG-CD2 3.45Å; D250-F353 WeakPolarHBondContact OD1-CD2 3.5Å; L333-F353 HydrophobicContact CD2-CB 4.21Å; L333-F353 HydrophobicContact CD2-CD1 3.59Å; L333-F353 HydrophobicContact CD2-CD2 3.94Å; L333-F353 HydrophobicContact CD2-CE1 3.91Å; L333-F353 HydrophobicContact CD2-CE2 4.24Å; L333-F353 HydrophobicContact CD2-CG 3.61Å; L333-F353 HydrophobicContact CD2-CZ 4.24Å; P351-F353 VanDerWaalsContact C-N 3.27Å; P351-F353 PolarHBondContact O-N 2.78Å
354Q66.2Low66.6Low132 Ų132110.2 Ų110.262%0.61761%0.607SS**  trans-138.3143.5174.1-63.6-175.74.600107.4P356Q354-P356 VanDerWaalsContact O-CD 3.24Å; Q354-P356 WeakPolarHBondContact O-CD 3.31Å
355L66.6Low67.1Low101 Ų101109.1 Ų109.153%0.52959%0.594SS.*  trans-56.1114.3175.1-79157.6000109.5P331 W332 G357P331-L355 HydrophobicContact CB-CD2 4.11Å; W332-L355 HydrophobicContact CB-CD2 3.95Å; W332-L355 HydrophobicContact CB-CG 4.02Å; L355-G357 PolarHBondContact O-N 3.22Å
356P62Low67.5Low69 Ų69107 Ų10745%0.44859%0.588SS.*THydrogen-bonded Turntrans-69.1126.6-176.125.2-29.4000110.1P331 Q354 T358P331-P356 WeakPolarHBondContact O-CD 3.36Å; Q354-P356 VanDerWaalsContact O-CD 3.24Å; Q354-P356 WeakPolarHBondContact O-CD 3.31Å; P356-T358 VanDerWaalsContact C-N 3.26Å; P356-T358 PolarHBondContact O-N 2.86Å
357G63.4Low67.8Low87 Ų87107.5 Ų107.590%0.89759%0.591SS**THydrogen-bonded Turntrans63.318.816200000117L355L355-G357 PolarHBondContact O-N 3.22Å
358T60.4Low68.4Low88 Ų8899.1 Ų99.154%0.5457%0.571SS.*PPolyproline II helixtrans-85.3125.4174.441.70000110.4P356 K360P356-T358 VanDerWaalsContact C-N 3.26Å; P356-T358 PolarHBondContact O-N 2.86Å; T358-K360 PolarHBondContact O-N 3.35Å
359D69.6Low69.4Low158 Ų15898.3 Ų98.385%0.84556%0.561SS**PPolyproline II helixtrans-51134.5157.7-75.3-35.9000107.8P361D359-P361 VanDerWaalsContact O-N 3.13Å
360K75.7Confident70.4Confident144 Ų14488.3 Ų88.363%0.62652%0.519SS*.PPolyproline II helixtrans-52.3126.9-180-70.7-179.1-178.2178.70108.1T358 C364 I365T358-K360 PolarHBondContact O-N 3.35Å; K360-C364 HydrophobicContact CB-CB 4.21Å; K360-I365 HydrophobicContact CB-CG1 3.84Å; K360-I365 WeakPolarHBondContact O-CD1 3.49Å; K360-I365 WeakPolarHBondContact O-CG1 3.3Å
361P77Confident71.6Confident47 Ų4787.7 Ų87.731%0.30551%0.508SS..PPolyproline II helixtrans-60.3157.517925.5-34.6000110D359 Y363 C364 I365D359-P361 VanDerWaalsContact O-N 3.13Å; P361-Y363 HydrophobicContact CB-CD1 3.99Å; P361-Y363 HydrophobicContact CB-CD2 4.43Å; P361-Y363 HydrophobicContact CB-CE1 3.48Å; P361-Y363 VanDerWaalsContact CB-CE1 3.48Å; P361-Y363 HydrophobicContact CB-CE2 3.97Å; P361-Y363 HydrophobicContact CB-CG 4.45Å; P361-Y363 VanDerWaalsContact CB-CZ 3.47Å; P361-Y363 HydrophobicContact CG-CD1 4.43Å; P361-Y363 HydrophobicContact CG-CD2 4.01Å; P361-Y363 HydrophobicContact CG-CE1 3.87Å; P361-Y363 HydrophobicContact CG-CE2 3.38Å; P361-Y363 WeakPolarHBondContact CG-OH 3.21Å; P361-Y363 PolarHBondContact O-N 3.34Å; P361-C364 HydrophobicContact CG-CB 3.77Å; P361-C364 WeakPolarHBondContact O-CA 3.49Å; P361-C364 WeakPolarHBondContact O-CB 3.3Å; P361-C364 PolarHBondContact O-N 3.35Å; P361-I365 PolarHBondContact O-N 2.75Å
362S81.7Confident72.7Confident64 Ų6485.5 Ų85.545%0.44849%0.489SS..THydrogen-bonded Turntrans-50-36.8-174560000113.9
363Y82.2Confident73.6Confident194 Ų19487.7 Ų87.776%0.76149%0.493SS*.THydrogen-bonded Turntrans-74.4-22.6177.453.8-99.4000114.5P361P361-Y363 HydrophobicContact CB-CD1 3.99Å; P361-Y363 HydrophobicContact CB-CD2 4.43Å; P361-Y363 HydrophobicContact CB-CE1 3.48Å; P361-Y363 VanDerWaalsContact CB-CE1 3.48Å; P361-Y363 HydrophobicContact CB-CE2 3.97Å; P361-Y363 HydrophobicContact CB-CG 4.45Å; P361-Y363 VanDerWaalsContact CB-CZ 3.47Å; P361-Y363 HydrophobicContact CG-CD1 4.43Å; P361-Y363 HydrophobicContact CG-CD2 4.01Å; P361-Y363 HydrophobicContact CG-CE1 3.87Å; P361-Y363 HydrophobicContact CG-CE2 3.38Å; P361-Y363 WeakPolarHBondContact CG-OH 3.21Å; P361-Y363 PolarHBondContact O-N 3.34Å
364C78.4Confident74.2Confident71 Ų7191.3 Ų91.348%0.4851%0.51SS..THydrogen-bonded Turntrans-88.7-19.8178.5-172.40000112.6K360 P361 G366K360-C364 HydrophobicContact CB-CB 4.21Å; P361-C364 HydrophobicContact CG-CB 3.77Å; P361-C364 WeakPolarHBondContact O-CA 3.49Å; P361-C364 WeakPolarHBondContact O-CB 3.3Å; P361-C364 PolarHBondContact O-N 3.35Å; C364-G366 PolarHBondContact O-N 3.21Å; C364-G366 VanDerWaalsContact O-N 3.09Å
365I74.2Confident75.2Confident82 Ų8291.5 Ų91.542%0.42151%0.511SS..SBendtrans-65.1-10.3173.8-64.2165000111.4K360 P361 G368K360-I365 HydrophobicContact CB-CG1 3.84Å; K360-I365 WeakPolarHBondContact O-CD1 3.49Å; K360-I365 WeakPolarHBondContact O-CG1 3.3Å; P361-I365 PolarHBondContact O-N 2.75Å; I365-G368 PolarHBondContact O-N 3.33Å
366G68.9Low76.2Confident50 Ų5095.5 Ų95.552%0.51552%0.52SS..G310 helixtrans63.3-135.9171.600000111.6C364 G368 Y369C364-G366 PolarHBondContact O-N 3.21Å; C364-G366 VanDerWaalsContact O-N 3.09Å; G366-G368 PolarHBondContact O-N 3.31Å; G366-G368 VanDerWaalsContact O-N 3.07Å; G366-Y369 PolarHBondContact O-N 2.87Å
367A62.9Low77.4Confident62 Ų6293.8 Ų93.851%0.51251%0.509SS..G310 helixtrans-67.8-2.7178.600000114R405A367-R405 VanDerWaalsContact O-CD 3.28Å; A367-R405 WeakPolarHBondContact O-CD 3.34Å; A367-R405 PolarHBondContact O-NE 2.85Å; A367-R405 PolarHBondContact O-NH1 3.04Å
368G68.5Low78.5Confident38 Ų3890.9 Ų90.939%0.39247%0.474SS..G310 helixtrans-74.9-26.5176.200000113.7I365 G366 T370I365-G368 PolarHBondContact O-N 3.33Å; G366-G368 PolarHBondContact O-N 3.31Å; G366-G368 VanDerWaalsContact O-N 3.07Å; G368-T370 PolarHBondContact O-N 3.48Å
369Y74.9Confident79.7Confident130 Ų13092.6 Ų92.651%0.5147%0.474SS..  trans-82.9119.6-176-170.4-102.4000111G366 F371G366-Y369 PolarHBondContact O-N 2.87Å; Y369-F371 HydrophobicContact CE1-CB 4.03Å
370T79.9Confident80.5Confident9 Ų986.3 Ų86.36%0.05544%0.444CS..  trans-110135.4179.3-49.90000109.3G368 W372 R405 Y409G368-T370 PolarHBondContact O-N 3.48Å; T370-W372 HydrophobicContact CG2-CD2 4.33Å; T370-W372 HydrophobicContact CG2-CG 4.41Å; T370-W372 HydrophobicContact CG2-CZ2 4.06Å; T370-W372 VanDerWaalsContact CG2-NE1 3.26Å; T370-R405 PolarHBondContact OG1-NE 3.44Å; T370-Y409 HydrophobicContact CG2-CD1 3.26Å; T370-Y409 HydrophobicContact CG2-CD2 4.17Å; T370-Y409 HydrophobicContact CG2-CE1 3.48Å; T370-Y409 VanDerWaalsContact CG2-CE1 3.48Å; T370-Y409 HydrophobicContact CG2-CE2 4.37Å; T370-Y409 HydrophobicContact CG2-CG 3.62Å; T370-Y409 WeakPolarHBondContact O-CE2 3.21Å; T370-Y409 PolarHBondContact O-OH 3.29Å; T370-Y409 VanDerWaalsContact O-OH 3.1Å
371F84.4Confident81.1Confident83 Ų8380.1 Ų80.136%0.36442%0.417SS..  trans-143.8111.2-178.3175-101.2000110.1Y369 M373 H374 P377 Y409Y369-F371 HydrophobicContact CE1-CB 4.03Å; F371-M373 HydrophobicContact CD1-CB 4.41Å; F371-M373 HydrophobicContact CD2-CG 3.99Å; F371-M373 HydrophobicContact CE1-CB 3.61Å; F371-M373 HydrophobicContact CE1-CG 3.94Å; F371-M373 HydrophobicContact CE2-CB 3.88Å; F371-M373 HydrophobicContact CE2-CG 3.21Å; F371-M373 HydrophobicContact CZ-CB 3.31Å; F371-M373 HydrophobicContact CZ-CG 3.2Å; F371-H374 AromaticContact CE1-CD2 3.97Å; F371-P377 HydrophobicContact CD1-CG 4.46Å; F371-P377 WeakPolarHBondContact O-CB 3.43Å; F371-Y409 WeakPolarHBondContact CA-OH 3.31Å
372W87.9Confident81.5Confident36 Ų3679.6 Ų79.614%0.13641%0.412CS..  trans-113.139.7-174.6-66.6-13.4000114.1T370 V378 L406 Y409 I413 L418T370-W372 HydrophobicContact CG2-CD2 4.33Å; T370-W372 HydrophobicContact CG2-CG 4.41Å; T370-W372 HydrophobicContact CG2-CZ2 4.06Å; T370-W372 VanDerWaalsContact CG2-NE1 3.26Å; W372-V378 HydrophobicContact CB-CG2 3.65Å; W372-V378 HydrophobicContact CD2-CG2 4.22Å; W372-V378 HydrophobicContact CG-CG2 3.55Å; W372-L406 HydrophobicContact CH2-CB 4.5Å; W372-L406 HydrophobicContact CZ2-CB 4.4Å; W372-L406 HydrophobicContact CZ2-CD2 3.67Å; W372-Y409 HydrophobicContact CB-CE1 3.97Å; W372-Y409 AromaticContact CD2-CD1 3.55Å; W372-Y409 HydrophobicContact CD2-CD1 3.55Å; W372-Y409 AromaticContact CD2-CE1 3.45Å; W372-Y409 HydrophobicContact CD2-CE1 3.45Å; W372-Y409 VanDerWaalsContact CD2-CE1 3.45Å; W372-Y409 AromaticContact CE2-CD1 3.72Å; W372-Y409 AromaticContact CE2-CE1 3.96Å; W372-Y409 AromaticContact CE3-CD1 3.54Å; W372-Y409 HydrophobicContact CE3-CD1 3.54Å; W372-Y409 AromaticContact CE3-CE1 3.65Å; W372-Y409 HydrophobicContact CE3-CE1 3.65Å; W372-Y409 HydrophobicContact CG-CD1 4.16Å; W372-Y409 AromaticContact CG-CE1 3.58Å; W372-Y409 HydrophobicContact CG-CE1 3.58Å; W372-Y409 AromaticContact CH2-CD1 3.89Å; W372-Y409 HydrophobicContact CH2-CD1 3.89Å; W372-Y409 AromaticContact CZ2-CD1 3.9Å; W372-Y409 HydrophobicContact CZ2-CD1 3.9Å; W372-Y409 AromaticContact CZ3-CD1 3.7Å; W372-Y409 HydrophobicContact CZ3-CD1 3.7Å; W372-Y409 HydrophobicContact CZ3-CE1 4.28Å; W372-Y409 PolarHBondContact N-OH 3.21Å; W372-I413 HydrophobicContact CE3-CD1 4.07Å; W372-L418 HydrophobicContact CD2-CD2 4.19Å; W372-L418 HydrophobicContact CE3-CD2 3.5Å; W372-L418 HydrophobicContact CH2-CD2 3.87Å; W372-L418 HydrophobicContact CZ2-CD2 4.49Å; W372-L418 HydrophobicContact CZ3-CD2 3.34Å
373M85.8Confident81.6Confident145 Ų14581.1 Ų81.171%0.71441%0.412SS*.SBendtrans-82.1-17.7172.9-60.9-67.5-7300113.5F371F371-M373 HydrophobicContact CD1-CB 4.41Å; F371-M373 HydrophobicContact CD2-CG 3.99Å; F371-M373 HydrophobicContact CE1-CB 3.61Å; F371-M373 HydrophobicContact CE1-CG 3.94Å; F371-M373 HydrophobicContact CE2-CB 3.88Å; F371-M373 HydrophobicContact CE2-CG 3.21Å; F371-M373 HydrophobicContact CZ-CB 3.31Å; F371-M373 HydrophobicContact CZ-CG 3.2Å
374H87.6Confident81.8Confident127 Ų12775.2 Ų75.259%0.58839%0.39SS*.SBendtrans-125.9153.9179.3-58.9-49000110.2F371 Y376 P377F371-H374 AromaticContact CE1-CD2 3.97Å; H374-Y376 VanDerWaalsContact C-N 3.31Å; H374-Y376 PolarHBondContact O-N 2.98Å; H374-P377 HydrophobicContact CB-CG 4.4Å; H374-P377 VanDerWaalsContact O-CD 3.32Å; H374-P377 WeakPolarHBondContact O-CD 3.46Å
375E87.2Confident82.1Confident136 Ų13671.8 Ų71.864%0.63637%0.367SS*.Hα-helixtrans-64.1-34.4-178.2-62.5-173.6-178.700113.4V378 K379E375-V378 PolarHBondContact O-N 3.26Å; E375-K379 WeakPolarHBondContact O-CG 3.32Å; E375-K379 PolarHBondContact O-N 3.01Å; E375-K379 IonicContact OE2-NZ 3.68Å; E375-K379 PolarHBondContact OE2-NZ 3.43Å
376Y87.6Confident82.5Confident186 Ų18669 Ų6973%0.72935%0.353SS*.Hα-helixtrans-62.9-50.2-174.3172.8-95.2000112.8H374 V378 K379 A380H374-Y376 VanDerWaalsContact C-N 3.31Å; H374-Y376 PolarHBondContact O-N 2.98Å; Y376-V378 VanDerWaalsContact C-N 3.31Å; Y376-V378 PolarHBondContact O-N 3.29Å; Y376-K379 PolarHBondContact O-N 3.43Å; Y376-A380 WeakPolarHBondContact O-CB 3.39Å; Y376-A380 PolarHBondContact O-N 3.39Å
377P87.1Confident83.2Confident33 Ų3373.6 Ų73.621%0.21436%0.355CS..Hα-helixtrans-54.1-43.1172.2-29.434.2000114.2F371 H374 A380 D381F371-P377 HydrophobicContact CD1-CG 4.46Å; F371-P377 WeakPolarHBondContact O-CB 3.43Å; H374-P377 HydrophobicContact CB-CG 4.4Å; H374-P377 VanDerWaalsContact O-CD 3.32Å; H374-P377 WeakPolarHBondContact O-CD 3.46Å; P377-A380 PolarHBondContact O-N 3.1Å; P377-D381 WeakPolarHBondContact O-CB 3.45Å; P377-D381 PolarHBondContact O-N 3.34Å
378V86.9Confident84.3Confident26 Ų2672.9 Ų72.916%0.15834%0.339CS..Hα-helixtrans-60.1-49.6177.7-178.50000110.1W372 E375 Y376 A380 D381 L382 L418W372-V378 HydrophobicContact CB-CG2 3.65Å; W372-V378 HydrophobicContact CD2-CG2 4.22Å; W372-V378 HydrophobicContact CG-CG2 3.55Å; E375-V378 PolarHBondContact O-N 3.26Å; Y376-V378 VanDerWaalsContact C-N 3.31Å; Y376-V378 PolarHBondContact O-N 3.29Å; V378-A380 PolarHBondContact O-N 3.12Å; V378-D381 PolarHBondContact O-N 3.07Å; V378-L382 HydrophobicContact CG1-CD1 4.04Å; V378-L382 HydrophobicContact CG1-CG 4.49Å; V378-L382 WeakPolarHBondContact O-CG 2.92Å; V378-L382 PolarHBondContact O-N 3.3Å; V378-L418 HydrophobicContact CG1-CD1 4.38Å; V378-L418 HydrophobicContact CG1-CD2 4.32Å
379K85.9Confident85Confident124 Ų12471.1 Ų71.154%0.53932%0.321SS..Hα-helixtrans-60.3-45.1177.8-72.3170.8-177162.50111.7E375 Y376 D381 L382 Q383E375-K379 WeakPolarHBondContact O-CG 3.32Å; E375-K379 PolarHBondContact O-N 3.01Å; E375-K379 IonicContact OE2-NZ 3.68Å; E375-K379 PolarHBondContact OE2-NZ 3.43Å; Y376-K379 PolarHBondContact O-N 3.43Å; K379-D381 VanDerWaalsContact C-N 3.33Å; K379-D381 PolarHBondContact O-N 3.08Å; K379-L382 PolarHBondContact O-N 3.46Å; K379-Q383 WeakPolarHBondContact O-CB 3.29Å; K379-Q383 PolarHBondContact O-N 2.98Å
380A86.4Confident85.3Confident26 Ų2670.6 Ų70.622%0.21532%0.318CS..Hα-helixtrans-62.7-40.9-179.700000112Y376 P377 V378 Q383 K384Y376-A380 WeakPolarHBondContact O-CB 3.39Å; Y376-A380 PolarHBondContact O-N 3.39Å; P377-A380 PolarHBondContact O-N 3.1Å; V378-A380 PolarHBondContact O-N 3.12Å; A380-Q383 PolarHBondContact O-N 2.98Å; A380-K384 PolarHBondContact O-N 3.11Å
381D87.4Confident85.5Confident13 Ų1375 Ų757%0.0734%0.336CS..Hα-helixtrans-75.8-32.5-179.4-91.62.9000113.5P377 V378 K379 K384 P385 R405 L406P377-D381 WeakPolarHBondContact O-CB 3.45Å; P377-D381 PolarHBondContact O-N 3.34Å; V378-D381 PolarHBondContact O-N 3.07Å; K379-D381 VanDerWaalsContact C-N 3.33Å; K379-D381 PolarHBondContact O-N 3.08Å; D381-K384 IonicContact OD1-NZ 3.31Å; D381-K384 PolarHBondContact OD1-NZ 3.24Å; D381-P385 WeakPolarHBondContact O-CD 3.24Å; D381-R405 IonicContact OD1-NH2 3.27Å; D381-R405 PolarHBondContact OD1-NH2 2.81Å; D381-R405 IonicContact OD2-CZ 3.6Å; D381-R405 IonicContact OD2-NH2 3.98Å; D381-R405 PolarHBondContact OD2-NH2 3.39Å; D381-L406 HydrophobicContact CB-CD2 3.72Å
382L85.1Confident85.3Confident37 Ų3771.6 Ų71.619%0.19432%0.322CS..Hα-helixtrans-70.3-32.1170-69.3178.2000112.7V378 K379 K384 L406 A422 F426V378-L382 HydrophobicContact CG1-CD1 4.04Å; V378-L382 HydrophobicContact CG1-CG 4.49Å; V378-L382 WeakPolarHBondContact O-CG 2.92Å; V378-L382 PolarHBondContact O-N 3.3Å; K379-L382 PolarHBondContact O-N 3.46Å; L382-K384 VanDerWaalsContact C-N 3.33Å; L382-K384 PolarHBondContact O-N 2.98Å; L382-L406 HydrophobicContact CD2-CD1 4.16Å; L382-A422 HydrophobicContact CD1-CB 4.29Å; L382-A422 HydrophobicContact CD2-CB 3.47Å; L382-A422 VanDerWaalsContact CD2-CB 3.47Å; L382-F426 HydrophobicContact CB-CE1 4.37Å; L382-F426 HydrophobicContact CB-CZ 4.44Å; L382-F426 HydrophobicContact CD2-CZ 4.14Å; L382-F426 WeakPolarHBondContact O-CZ 3.16Å
383Q85.4Confident85Confident95 Ų9573.5 Ų73.544%0.44434%0.339SS..Hα-helixtrans-70.7-27.3-179.6-164.4179.813.100112.8K379 A380 R387K379-Q383 WeakPolarHBondContact O-CB 3.29Å; K379-Q383 PolarHBondContact O-N 2.98Å; A380-Q383 PolarHBondContact O-N 2.98Å; Q383-R387 VanDerWaalsContact CD-NH2 3.35Å; Q383-R387 WeakPolarHBondContact O-CG 3.36Å; Q383-R387 PolarHBondContact O-N 2.91Å; Q383-R387 VanDerWaalsContact O-N 3.08Å
384K85.9Confident84.9Confident70 Ų7074.7 Ų74.730%0.30434%0.342SS..Hα-helixtrans-64.6-56.5-180-76.3170.9-170159.90112.6A380 D381 L382 L386 R387 Y388A380-K384 PolarHBondContact O-N 3.11Å; D381-K384 IonicContact OD1-NZ 3.31Å; D381-K384 PolarHBondContact OD1-NZ 3.24Å; L382-K384 VanDerWaalsContact C-N 3.33Å; L382-K384 PolarHBondContact O-N 2.98Å; K384-L386 VanDerWaalsContact C-N 3.27Å; K384-L386 PolarHBondContact O-N 3.48Å; K384-R387 PolarHBondContact O-N 2.71Å; K384-Y388 PolarHBondContact O-N 3.18Å; K384-Y388 VanDerWaalsContact O-N 3.11Å
385P83.7Confident84.8Confident0 Ų073 Ų730%033%0.331CS..Hα-helixtrans-55.6-39.9173.3-25.432.4000112.9D381 R387 Y388 L389 F399 D402 L406 F426D381-P385 WeakPolarHBondContact O-CD 3.24Å; P385-R387 VanDerWaalsContact C-N 3.3Å; P385-R387 PolarHBondContact O-N 2.79Å; P385-Y388 PolarHBondContact O-N 3.07Å; P385-Y388 VanDerWaalsContact O-N 3.12Å; P385-L389 WeakPolarHBondContact O-CB 3.46Å; P385-L389 PolarHBondContact O-N 3.42Å; P385-F399 HydrophobicContact CB-CD2 4.04Å; P385-F399 HydrophobicContact CB-CE2 3.85Å; P385-F399 VanDerWaalsContact O-CD2 3.3Å; P385-F399 WeakPolarHBondContact O-CD2 3.22Å; P385-F399 WeakPolarHBondContact O-CE2 3.47Å; P385-D402 HydrophobicContact CG-CB 4.2Å; P385-L406 HydrophobicContact CG-CD1 3.77Å; P385-F426 HydrophobicContact CB-CE2 4.44Å
386L83.1Confident84.7Confident24 Ų2468.4 Ų68.413%0.12631%0.309CS..Hα-helixtrans-58.2-40.3175.8-82.1174000113.1K384 F426K384-L386 VanDerWaalsContact C-N 3.27Å; K384-L386 PolarHBondContact O-N 3.48Å; L386-F426 HydrophobicContact CD1-CD1 3.56Å; L386-F426 HydrophobicContact CD1-CE1 3.42Å; L386-F426 VanDerWaalsContact CD1-CE1 3.42Å; L386-F426 HydrophobicContact CD1-CZ 4.41Å; L386-F426 HydrophobicContact CD2-CB 3.95Å; L386-F426 HydrophobicContact CD2-CD1 3.24Å; L386-F426 HydrophobicContact CD2-CD2 4.32Å; L386-F426 HydrophobicContact CD2-CE1 3.73Å; L386-F426 HydrophobicContact CD2-CG 3.58Å; L386-F426 HydrophobicContact CD2-CZ 4.41Å; L386-F426 HydrophobicContact CG-CD1 3.36Å; L386-F426 HydrophobicContact CG-CE1 3.25Å; L386-F426 HydrophobicContact CG-CG 4.09Å; L386-F426 HydrophobicContact CG-CZ 3.88Å
387R84.5Confident84.6Confident145 Ų14565 Ų6555%0.54731%0.309SS..Hα-helixtrans-68.7-36.3176.2-72.2175.6-174.6-175.35111.9Q383 K384 P385Q383-R387 VanDerWaalsContact CD-NH2 3.35Å; Q383-R387 WeakPolarHBondContact O-CG 3.36Å; Q383-R387 PolarHBondContact O-N 2.91Å; Q383-R387 VanDerWaalsContact O-N 3.08Å; K384-R387 PolarHBondContact O-N 2.71Å; P385-R387 VanDerWaalsContact C-N 3.3Å; P385-R387 PolarHBondContact O-N 2.79Å
388Y85.8Confident84.6Confident47 Ų4767 Ų6718%0.18432%0.317CS..Hα-helixtrans-75.6-33.9178-61.3-33.3000113K384 P385 R390 K391 L392 R395 L398 D402K384-Y388 PolarHBondContact O-N 3.18Å; K384-Y388 VanDerWaalsContact O-N 3.11Å; P385-Y388 PolarHBondContact O-N 3.07Å; P385-Y388 VanDerWaalsContact O-N 3.12Å; Y388-R390 PolarHBondContact O-N 3.22Å; Y388-K391 CarbonylContact O-C 3.39Å; Y388-K391 WeakPolarHBondContact O-CA 3.31Å; Y388-K391 PolarHBondContact O-N 3.36Å; Y388-L392 PolarHBondContact O-N 3.34Å; Y388-R395 HydrophobicContact CD1-CB 4.19Å; Y388-R395 HydrophobicContact CG-CB 4.44Å; Y388-L398 HydrophobicContact CD2-CB 4.05Å; Y388-L398 HydrophobicContact CE1-CD1 4.43Å; Y388-L398 HydrophobicContact CE2-CB 3.84Å; Y388-D402 VanDerWaalsContact CE2-OD2 3.29Å; Y388-D402 WeakPolarHBondContact CE2-OD2 3.45Å
389L82.5Confident84.6Confident1 Ų165.9 Ų65.91%0.00531%0.31CS..Hα-helixtrans-54.6-42.7173.5-175.868.5000111.1P385 K391 L392 F399 N430 L435 Q439 F443P385-L389 WeakPolarHBondContact O-CB 3.46Å; P385-L389 PolarHBondContact O-N 3.42Å; L389-K391 PolarHBondContact O-N 3.11Å; L389-L392 HydrophobicContact CD1-CD1 3.76Å; L389-L392 WeakPolarHBondContact O-CG 3.46Å; L389-L392 PolarHBondContact O-N 3.09Å; L389-F399 HydrophobicContact CB-CD2 4.34Å; L389-F399 HydrophobicContact CB-CE2 3.84Å; L389-F399 HydrophobicContact CB-CZ 4.36Å; L389-F399 HydrophobicContact CD1-CE1 4.38Å; L389-F399 HydrophobicContact CD1-CE2 4.17Å; L389-F399 HydrophobicContact CD1-CZ 3.82Å; L389-N430 WeakPolarHBondContact CD2-ND2 3.43Å; L389-L435 HydrophobicContact CD2-CD2 4.31Å; L389-L435 HydrophobicContact CG-CD2 4.43Å; L389-Q439 WeakPolarHBondContact O-CG 3.25Å; L389-Q439 PolarHBondContact O-NE2 2.9Å; L389-F443 HydrophobicContact CD1-CD2 4.41Å; L389-F443 HydrophobicContact CD2-CD2 3.86Å; L389-F443 HydrophobicContact CD2-CE2 4.39Å
390R81.2Confident84.6Confident119 Ų11960.5 Ų60.545%0.44929%0.286SS..THydrogen-bonded Turntrans-68.7-15.2177-64.5179.3-169.7169.44.4114.3Y388 I433 Q439Y388-R390 PolarHBondContact O-N 3.22Å; R390-I433 VanDerWaalsContact CZ-CD1 3.44Å; R390-Q439 PolarHBondContact O-NE2 3.43Å
391K84.1Confident84.7Confident101 Ų10164.9 Ų64.944%0.43930%0.302SS..THydrogen-bonded Turntrans-109.315.3179.4-62.8-172.6178-1670112.3Y388 L389 E394 R395Y388-K391 CarbonylContact O-C 3.39Å; Y388-K391 WeakPolarHBondContact O-CA 3.31Å; Y388-K391 PolarHBondContact O-N 3.36Å; L389-K391 PolarHBondContact O-N 3.11Å; K391-E394 WeakPolarHBondContact O-CB 3.48Å; K391-E394 PolarHBondContact O-N 3Å; K391-R395 HydrophobicContact CB-CB 4.4Å; K391-R395 HydrophobicContact CB-CG 4.27Å; K391-R395 PolarHBondContact O-N 3.06Å
392L80.4Confident84.6Confident12 Ų1264.8 Ų64.86%0.06330%0.301CS..THydrogen-bonded Turntrans-70.8141.5171.1-66.3-179.7000110.2Y388 L389 Q396 F399 Q439 H442Y388-L392 PolarHBondContact O-N 3.34Å; L389-L392 HydrophobicContact CD1-CD1 3.76Å; L389-L392 WeakPolarHBondContact O-CG 3.46Å; L389-L392 PolarHBondContact O-N 3.09Å; L392-Q396 VanDerWaalsContact CD2-CA 3.45Å; L392-Q396 HydrophobicContact CD2-CB 3.89Å; L392-Q396 HydrophobicContact CD2-CG 4.43Å; L392-F399 HydrophobicContact CD1-CD1 4.4Å; L392-F399 HydrophobicContact CD2-CB 4.23Å; L392-F399 HydrophobicContact CD2-CD1 4.41Å; L392-F399 HydrophobicContact CD2-CG 4.43Å; L392-Q439 HydrophobicContact CB-CG 4Å; L392-H442 HydrophobicContact CD1-CB 3.86Å
393P80.9Confident84.7Confident76 Ų7663.3 Ų63.349%0.49429%0.294SS..THydrogen-bonded Turncis-86.2-9.57.230.6-29.7000115.4R395 Q396 L438P393-R395 PolarHBondContact O-N 2.6Å; P393-Q396 WeakPolarHBondContact O-CB 3.37Å; P393-Q396 PolarHBondContact O-N 3.14Å; P393-Q396 VanDerWaalsContact O-N 3.11Å; P393-L438 HydrophobicContact CB-CD2 3.93Å; P393-L438 HydrophobicContact CG-CD2 3.84Å
394E84.2Confident84.8Confident170 Ų17060.3 Ų60.379%0.79428%0.281SS*.THydrogen-bonded Turntrans-53.8-33.1-171.5-55.8177.8173.500114.8K391K391-E394 WeakPolarHBondContact O-CB 3.48Å; K391-E394 PolarHBondContact O-N 3Å
395R85.6Confident84.8Confident93 Ų9358.2 Ų58.235%0.35127%0.271SS..THydrogen-bonded Turntrans-11528.5-178.7-63.9-161.2177.7-142.40.3114.5Y388 K391 P393 T397 L398 F399Y388-R395 HydrophobicContact CD1-CB 4.19Å; Y388-R395 HydrophobicContact CG-CB 4.44Å; K391-R395 HydrophobicContact CB-CB 4.4Å; K391-R395 HydrophobicContact CB-CG 4.27Å; K391-R395 PolarHBondContact O-N 3.06Å; P393-R395 PolarHBondContact O-N 2.6Å; R395-T397 PolarHBondContact O-N 2.96Å; R395-L398 HydrophobicContact CG-CD1 4.48Å; R395-L398 PolarHBondContact O-N 2.97Å; R395-F399 WeakPolarHBondContact O-CB 3.44Å; R395-F399 PolarHBondContact O-N 2.69Å
396Q84.7Confident85Confident38 Ų3858.6 Ų58.618%0.17827%0.273CS..Hα-helixtrans-53.7-47.9-179.1-175.8174-25.200113L392 P393 L398 F399 Y400 L461L392-Q396 VanDerWaalsContact CD2-CA 3.45Å; L392-Q396 HydrophobicContact CD2-CB 3.89Å; L392-Q396 HydrophobicContact CD2-CG 4.43Å; P393-Q396 WeakPolarHBondContact O-CB 3.37Å; P393-Q396 PolarHBondContact O-N 3.14Å; P393-Q396 VanDerWaalsContact O-N 3.11Å; Q396-L398 PolarHBondContact O-N 3.37Å; Q396-F399 WeakPolarHBondContact O-CB 3.34Å; Q396-F399 PolarHBondContact O-N 3.06Å; Q396-Y400 HydrophobicContact CG-CD2 3.71Å; Q396-Y400 HydrophobicContact CG-CE2 3.69Å; Q396-Y400 WeakPolarHBondContact O-CD2 3.39Å; Q396-Y400 PolarHBondContact O-N 3.44Å; Q396-L461 PolarHBondContact NE2-O 2.81Å
397T86.1Confident85.1Confident116 Ų11657.5 Ų57.571%0.71227%0.267SS*.Hα-helixtrans-59.4-47.6-178.751.10000112.7R395 F399 H401R395-T397 PolarHBondContact O-N 2.96Å; T397-F399 VanDerWaalsContact C-N 3.32Å; T397-F399 PolarHBondContact O-N 2.88Å; T397-H401 VanDerWaalsContact O-CB 3.25Å; T397-H401 WeakPolarHBondContact O-CB 3.49Å; T397-H401 PolarHBondContact O-N 3.22Å
398L86.1Confident85.2Confident74 Ų7454.6 Ų54.639%0.38727%0.266SS..Hα-helixtrans-64.9-36.9177.3-67.5173.8000112.1Y388 R395 Q396 D402Y388-L398 HydrophobicContact CD2-CB 4.05Å; Y388-L398 HydrophobicContact CE1-CD1 4.43Å; Y388-L398 HydrophobicContact CE2-CB 3.84Å; R395-L398 HydrophobicContact CG-CD1 4.48Å; R395-L398 PolarHBondContact O-N 2.97Å; Q396-L398 PolarHBondContact O-N 3.37Å; L398-D402 WeakPolarHBondContact O-CB 3.15Å; L398-D402 PolarHBondContact O-N 2.87Å
399F86.8Confident85.3Confident3 Ų355.1 Ų55.11%0.01327%0.268CS..Hα-helixtrans-63.8-52.8178.5175.8-107.4000112.2P385 L389 L392 R395 Q396 T397 H401 D402 L403 I446P385-F399 HydrophobicContact CB-CD2 4.04Å; P385-F399 HydrophobicContact CB-CE2 3.85Å; P385-F399 VanDerWaalsContact O-CD2 3.3Å; P385-F399 WeakPolarHBondContact O-CD2 3.22Å; P385-F399 WeakPolarHBondContact O-CE2 3.47Å; L389-F399 HydrophobicContact CB-CD2 4.34Å; L389-F399 HydrophobicContact CB-CE2 3.84Å; L389-F399 HydrophobicContact CB-CZ 4.36Å; L389-F399 HydrophobicContact CD1-CE1 4.38Å; L389-F399 HydrophobicContact CD1-CE2 4.17Å; L389-F399 HydrophobicContact CD1-CZ 3.82Å; L392-F399 HydrophobicContact CD1-CD1 4.4Å; L392-F399 HydrophobicContact CD2-CB 4.23Å; L392-F399 HydrophobicContact CD2-CD1 4.41Å; L392-F399 HydrophobicContact CD2-CG 4.43Å; R395-F399 WeakPolarHBondContact O-CB 3.44Å; R395-F399 PolarHBondContact O-N 2.69Å; Q396-F399 WeakPolarHBondContact O-CB 3.34Å; Q396-F399 PolarHBondContact O-N 3.06Å; T397-F399 VanDerWaalsContact C-N 3.32Å; T397-F399 PolarHBondContact O-N 2.88Å; F399-H401 VanDerWaalsContact C-N 3.34Å; F399-H401 PolarHBondContact O-N 3.05Å; F399-D402 PolarHBondContact O-N 3.45Å; F399-L403 HydrophobicContact CE1-CD2 4.42Å; F399-L403 HydrophobicContact CZ-CD2 4.31Å; F399-L403 VanDerWaalsContact O-CB 3.32Å; F399-L403 WeakPolarHBondContact O-CB 3.49Å; F399-L403 PolarHBondContact O-N 3.03Å; F399-I446 HydrophobicContact CE1-CD1 3.33Å; F399-I446 HydrophobicContact CE1-CG1 4.38Å; F399-I446 HydrophobicContact CZ-CD1 3.41Å; F399-I446 VanDerWaalsContact CZ-CD1 3.41Å
400Y87.6Confident85.5Confident10 Ų1055 Ų554%0.03927%0.267CS..Hα-helixtrans-66.3-36.8178.4-80.6-92.3000111.7Q396 L403 N404 H442 L458 P459 P460 L461Q396-Y400 HydrophobicContact CG-CD2 3.71Å; Q396-Y400 HydrophobicContact CG-CE2 3.69Å; Q396-Y400 WeakPolarHBondContact O-CD2 3.39Å; Q396-Y400 PolarHBondContact O-N 3.44Å; Y400-L403 PolarHBondContact O-N 3.04Å; Y400-N404 VanDerWaalsContact O-CB 3.28Å; Y400-N404 WeakPolarHBondContact O-CB 3.41Å; Y400-N404 PolarHBondContact O-N 2.92Å; Y400-N404 PolarHBondContact O-ND2 2.92Å; Y400-H442 AromaticContact CE2-ND1 3.76Å; Y400-H442 AromaticContact CZ-ND1 3.84Å; Y400-H442 PolarHBondContact OH-ND1 2.92Å; Y400-L458 HydrophobicContact CD1-CD2 3.49Å; Y400-L458 VanDerWaalsContact CD1-CD2 3.49Å; Y400-L458 HydrophobicContact CD1-CG 3.88Å; Y400-L458 HydrophobicContact CE1-CD2 3.31Å; Y400-L458 HydrophobicContact CE1-CG 3.71Å; Y400-P459 VanDerWaalsContact CE1-O 3.32Å; Y400-P459 WeakPolarHBondContact CE1-O 3.44Å; Y400-P460 HydrophobicContact CD1-CB 4.39Å; Y400-P460 HydrophobicContact CD2-CB 4.39Å; Y400-P460 VanDerWaalsContact CE1-CA 3.49Å; Y400-P460 HydrophobicContact CE1-CB 4.48Å; Y400-P460 HydrophobicContact CE2-CB 4.5Å; Y400-P460 HydrophobicContact CG-CB 4.35Å; Y400-L461 WeakPolarHBondContact OH-CB 3.21Å; Y400-L461 PolarHBondContact OH-N 3.44Å
401H87.5Confident85.7Confident118 Ų11851 Ų5155%0.54626%0.258SS..Hα-helixtrans-60.1-53174.8176.2-79.2000112.1T397 F399 L403 N404 R405T397-H401 VanDerWaalsContact O-CB 3.25Å; T397-H401 WeakPolarHBondContact O-CB 3.49Å; T397-H401 PolarHBondContact O-N 3.22Å; F399-H401 VanDerWaalsContact C-N 3.34Å; F399-H401 PolarHBondContact O-N 3.05Å; H401-L403 VanDerWaalsContact C-N 3.34Å; H401-L403 PolarHBondContact O-N 3.4Å; H401-N404 PolarHBondContact O-N 3.42Å; H401-R405 PolarHBondContact O-N 3.42Å
402D86.1Confident85.8Confident11 Ų1150.3 Ų50.36%0.05927%0.27CS..Hα-helixtrans-65-39.3179.7-89.1-8.2000111.5P385 Y388 L398 F399 R405 L406P385-D402 HydrophobicContact CG-CB 4.2Å; Y388-D402 VanDerWaalsContact CE2-OD2 3.29Å; Y388-D402 WeakPolarHBondContact CE2-OD2 3.45Å; L398-D402 WeakPolarHBondContact O-CB 3.15Å; L398-D402 PolarHBondContact O-N 2.87Å; F399-D402 PolarHBondContact O-N 3.45Å; D402-R405 WeakPolarHBondContact O-CB 3.14Å; D402-R405 PolarHBondContact O-N 3.43Å; D402-R405 IonicContact OD1-CZ 3.22Å; D402-R405 IonicContact OD1-NH1 2.96Å; D402-R405 PolarHBondContact OD1-NH1 3.13Å; D402-L406 WeakPolarHBondContact O-CG 3.48Å; D402-L406 PolarHBondContact O-N 2.9Å; D402-L406 VanDerWaalsContact O-N 3.1Å
403L86.2Confident86.2Confident6 Ų654.1 Ų54.13%0.03129%0.29CS..Hα-helixtrans-64.6-44.7177.9-174.260.8000111.9F399 Y400 H401 R405 L406 I407 I446 L458F399-L403 HydrophobicContact CE1-CD2 4.42Å; F399-L403 HydrophobicContact CZ-CD2 4.31Å; F399-L403 VanDerWaalsContact O-CB 3.32Å; F399-L403 WeakPolarHBondContact O-CB 3.49Å; F399-L403 PolarHBondContact O-N 3.03Å; Y400-L403 PolarHBondContact O-N 3.04Å; H401-L403 VanDerWaalsContact C-N 3.34Å; H401-L403 PolarHBondContact O-N 3.4Å; L403-R405 VanDerWaalsContact C-N 3.29Å; L403-R405 PolarHBondContact O-N 3.28Å; L403-L406 PolarHBondContact O-N 3.17Å; L403-L406 VanDerWaalsContact O-N 3.13Å; L403-I407 HydrophobicContact CG-CD1 4.11Å; L403-I407 WeakPolarHBondContact O-CG1 3.16Å; L403-I407 PolarHBondContact O-N 3.16Å; L403-I446 HydrophobicContact CD2-CD1 4.12Å; L403-I446 HydrophobicContact CD2-CG1 4.06Å; L403-I446 HydrophobicContact CD2-CG2 3.69Å; L403-L458 HydrophobicContact CD2-CD2 3.65Å
404N87.6Confident86.4Confident33 Ų3352.8 Ų52.818%0.17629%0.29CS..Hα-helixtrans-61.3-38.3174.5-78.5-24.9000111.9Y400 H401 L406 I407 T408 L458Y400-N404 VanDerWaalsContact O-CB 3.28Å; Y400-N404 WeakPolarHBondContact O-CB 3.41Å; Y400-N404 PolarHBondContact O-N 2.92Å; Y400-N404 PolarHBondContact O-ND2 2.92Å; H401-N404 PolarHBondContact O-N 3.42Å; N404-L406 VanDerWaalsContact C-N 3.32Å; N404-L406 PolarHBondContact O-N 2.88Å; N404-I407 PolarHBondContact O-N 2.84Å; N404-T408 WeakPolarHBondContact O-CB 3.14Å; N404-T408 PolarHBondContact O-N 2.88Å; N404-T408 PolarHBondContact O-OG1 3.44Å; N404-L458 PolarHBondContact ND2-O 2.95Å; N404-L458 WeakPolarHBondContact OD1-CA 3.3Å; N404-L458 VanDerWaalsContact OD1-CB 3.25Å; N404-L458 WeakPolarHBondContact OD1-CB 3.38Å; N404-L458 PolarHBondContact OD1-N 2.9Å
405R86.8Confident86.3Confident26 Ų2646.4 Ų46.410%0.09826%0.264CS..Hα-helixtrans-56.3-45.8172.7-167.6-172.780.1-136.6-9.1111.7A367 T370 D381 H401 D402 L403 Y409A367-R405 VanDerWaalsContact O-CD 3.28Å; A367-R405 WeakPolarHBondContact O-CD 3.34Å; A367-R405 PolarHBondContact O-NE 2.85Å; A367-R405 PolarHBondContact O-NH1 3.04Å; T370-R405 PolarHBondContact OG1-NE 3.44Å; D381-R405 IonicContact OD1-NH2 3.27Å; D381-R405 PolarHBondContact OD1-NH2 2.81Å; D381-R405 IonicContact OD2-CZ 3.6Å; D381-R405 IonicContact OD2-NH2 3.98Å; D381-R405 PolarHBondContact OD2-NH2 3.39Å; H401-R405 PolarHBondContact O-N 3.42Å; D402-R405 WeakPolarHBondContact O-CB 3.14Å; D402-R405 PolarHBondContact O-N 3.43Å; D402-R405 IonicContact OD1-CZ 3.22Å; D402-R405 IonicContact OD1-NH1 2.96Å; D402-R405 PolarHBondContact OD1-NH1 3.13Å; L403-R405 VanDerWaalsContact C-N 3.29Å; L403-R405 PolarHBondContact O-N 3.28Å; R405-Y409 VanDerWaalsContact O-CB 3.31Å; R405-Y409 WeakPolarHBondContact O-CB 3.35Å; R405-Y409 PolarHBondContact O-N 3.46Å
406L86.7Confident86Confident7 Ų745.8 Ų45.84%0.03727%0.265CS..Hα-helixtrans-67.6-40178.1-57.1175.3000112.1W372 D381 L382 P385 D402 L403 N404 S410W372-L406 HydrophobicContact CH2-CB 4.5Å; W372-L406 HydrophobicContact CZ2-CB 4.4Å; W372-L406 HydrophobicContact CZ2-CD2 3.67Å; D381-L406 HydrophobicContact CB-CD2 3.72Å; L382-L406 HydrophobicContact CD2-CD1 4.16Å; P385-L406 HydrophobicContact CG-CD1 3.77Å; D402-L406 WeakPolarHBondContact O-CG 3.48Å; D402-L406 PolarHBondContact O-N 2.9Å; D402-L406 VanDerWaalsContact O-N 3.1Å; L403-L406 PolarHBondContact O-N 3.17Å; L403-L406 VanDerWaalsContact O-N 3.13Å; N404-L406 VanDerWaalsContact C-N 3.32Å; N404-L406 PolarHBondContact O-N 2.88Å; L406-S410 WeakPolarHBondContact O-CB 3.4Å; L406-S410 PolarHBondContact O-N 3.34Å
407I85.7Confident85.9Confident1 Ų148 Ų481%0.00529%0.285CS..Hα-helixtrans-61.1-54.2177.4-66.3165.4000109.6L403 N404 Y409 S410 S411 I419 I450 L458L403-I407 HydrophobicContact CG-CD1 4.11Å; L403-I407 WeakPolarHBondContact O-CG1 3.16Å; L403-I407 PolarHBondContact O-N 3.16Å; N404-I407 PolarHBondContact O-N 2.84Å; I407-Y409 VanDerWaalsContact C-N 3.33Å; I407-Y409 PolarHBondContact O-N 3.03Å; I407-S410 PolarHBondContact O-N 3.19Å; I407-S411 WeakPolarHBondContact O-CB 3.41Å; I407-S411 PolarHBondContact O-N 3.3Å; I407-S411 PolarHBondContact O-OG 2.79Å; I407-I419 HydrophobicContact CB-CD1 4.24Å; I407-I419 HydrophobicContact CG1-CD1 4.15Å; I407-I419 HydrophobicContact CG1-CG2 4.48Å; I407-I419 HydrophobicContact CG2-CD1 4.24Å; I407-I450 HydrophobicContact CD1-CD1 3.78Å; I407-I450 HydrophobicContact CD1-CG1 3.98Å; I407-I450 HydrophobicContact CG1-CD1 4.3Å; I407-L458 HydrophobicContact CD1-CB 4.24Å
408T86.2Confident85.8Confident84 Ų8444.6 Ų44.652%0.51526%0.262SS..Hα-helixtrans-58.7-43.9-179.8-54.70000111.8N404 S411 A412N404-T408 WeakPolarHBondContact O-CB 3.14Å; N404-T408 PolarHBondContact O-N 2.88Å; N404-T408 PolarHBondContact O-OG1 3.44Å; T408-S411 PolarHBondContact O-N 3.26Å; T408-A412 WeakPolarHBondContact O-CB 3.33Å; T408-A412 PolarHBondContact O-N 3.5Å
409Y87.4Confident85.6Confident58 Ų5841.8 Ų41.823%0.22725%0.247CC..Hα-helixtrans-68.2-41.7-179.9-171.7-106.9000112.7T370 F371 W372 R405 I407 S411 A412 I413T370-Y409 HydrophobicContact CG2-CD1 3.26Å; T370-Y409 HydrophobicContact CG2-CD2 4.17Å; T370-Y409 HydrophobicContact CG2-CE1 3.48Å; T370-Y409 VanDerWaalsContact CG2-CE1 3.48Å; T370-Y409 HydrophobicContact CG2-CE2 4.37Å; T370-Y409 HydrophobicContact CG2-CG 3.62Å; T370-Y409 WeakPolarHBondContact O-CE2 3.21Å; T370-Y409 PolarHBondContact O-OH 3.29Å; T370-Y409 VanDerWaalsContact O-OH 3.1Å; F371-Y409 WeakPolarHBondContact CA-OH 3.31Å; W372-Y409 HydrophobicContact CB-CE1 3.97Å; W372-Y409 AromaticContact CD2-CD1 3.55Å; W372-Y409 HydrophobicContact CD2-CD1 3.55Å; W372-Y409 AromaticContact CD2-CE1 3.45Å; W372-Y409 HydrophobicContact CD2-CE1 3.45Å; W372-Y409 VanDerWaalsContact CD2-CE1 3.45Å; W372-Y409 AromaticContact CE2-CD1 3.72Å; W372-Y409 AromaticContact CE2-CE1 3.96Å; W372-Y409 AromaticContact CE3-CD1 3.54Å; W372-Y409 HydrophobicContact CE3-CD1 3.54Å; W372-Y409 AromaticContact CE3-CE1 3.65Å; W372-Y409 HydrophobicContact CE3-CE1 3.65Å; W372-Y409 HydrophobicContact CG-CD1 4.16Å; W372-Y409 AromaticContact CG-CE1 3.58Å; W372-Y409 HydrophobicContact CG-CE1 3.58Å; W372-Y409 AromaticContact CH2-CD1 3.89Å; W372-Y409 HydrophobicContact CH2-CD1 3.89Å; W372-Y409 AromaticContact CZ2-CD1 3.9Å; W372-Y409 HydrophobicContact CZ2-CD1 3.9Å; W372-Y409 AromaticContact CZ3-CD1 3.7Å; W372-Y409 HydrophobicContact CZ3-CD1 3.7Å; W372-Y409 HydrophobicContact CZ3-CE1 4.28Å; W372-Y409 PolarHBondContact N-OH 3.21Å; R405-Y409 VanDerWaalsContact O-CB 3.31Å; R405-Y409 WeakPolarHBondContact O-CB 3.35Å; R405-Y409 PolarHBondContact O-N 3.46Å; I407-Y409 VanDerWaalsContact C-N 3.33Å; I407-Y409 PolarHBondContact O-N 3.03Å; Y409-S411 VanDerWaalsContact C-N 3.33Å; Y409-S411 PolarHBondContact O-N 3.29Å; Y409-A412 WeakPolarHBondContact O-CB 3.49Å; Y409-A412 PolarHBondContact O-N 2.9Å; Y409-I413 HydrophobicContact CD1-CD1 3.7Å; Y409-I413 HydrophobicContact CE1-CD1 3.12Å; Y409-I413 HydrophobicContact CE1-CG1 4.27Å; Y409-I413 HydrophobicContact CE2-CD1 4.18Å; Y409-I413 HydrophobicContact CG-CD1 4.45Å; Y409-I413 VanDerWaalsContact CZ-CD1 3.4Å; Y409-I413 PolarHBondContact O-N 3.48Å
410S86.7Confident85.4Confident0 Ų045.1 Ų45.10%027%0.265CS..Hα-helixtrans-64.1-38.7175.3174.70000112.1L406 I407 A412 I413 G414 S415 I419L406-S410 WeakPolarHBondContact O-CB 3.4Å; L406-S410 PolarHBondContact O-N 3.34Å; I407-S410 PolarHBondContact O-N 3.19Å; S410-A412 VanDerWaalsContact C-N 3.34Å; S410-I413 PolarHBondContact O-N 2.97Å; S410-G414 PolarHBondContact O-N 3.47Å; S410-S415 PolarHBondContact O-N 3.1Å; S410-S415 VanDerWaalsContact OG-C 3.31Å; S410-S415 PolarHBondContact OG-O 3.39Å; S410-I419 WeakPolarHBondContact OG-CD1 3.47Å; S410-I419 WeakPolarHBondContact OG-CG1 3.21Å
411S85.6Confident85.2Confident35 Ų3546.6 Ų46.625%0.24528%0.279CS..Hα-helixtrans-63.6-41.2172.8-58.90000111.4I407 T408 Y409 I413 G414 G455I407-S411 WeakPolarHBondContact O-CB 3.41Å; I407-S411 PolarHBondContact O-N 3.3Å; I407-S411 PolarHBondContact O-OG 2.79Å; T408-S411 PolarHBondContact O-N 3.26Å; Y409-S411 VanDerWaalsContact C-N 3.33Å; Y409-S411 PolarHBondContact O-N 3.29Å; S411-I413 VanDerWaalsContact C-N 3.35Å; S411-I413 PolarHBondContact O-N 3.49Å; S411-G414 PolarHBondContact O-N 3.28Å; S411-G414 VanDerWaalsContact O-N 3.11Å; S411-G455 WeakPolarHBondContact OG-CA 3.42Å
412A87.4Confident84.9Confident85 Ų8541.3 Ų41.370%0.70226%0.256SS*.Hα-helixtrans-64.6-34.7178.200000113.2T408 Y409 S410T408-A412 WeakPolarHBondContact O-CB 3.33Å; T408-A412 PolarHBondContact O-N 3.5Å; Y409-A412 WeakPolarHBondContact O-CB 3.49Å; Y409-A412 PolarHBondContact O-N 2.9Å; S410-A412 VanDerWaalsContact C-N 3.34Å
413I87.5Confident84.6Confident92 Ų9241 Ų4147%0.47226%0.255SS..Hα-helixtrans-81.1-17.7174.2-65.9171.1000112.1W372 Y409 S410 S411W372-I413 HydrophobicContact CE3-CD1 4.07Å; Y409-I413 HydrophobicContact CD1-CD1 3.7Å; Y409-I413 HydrophobicContact CE1-CD1 3.12Å; Y409-I413 HydrophobicContact CE1-CG1 4.27Å; Y409-I413 HydrophobicContact CE2-CD1 4.18Å; Y409-I413 HydrophobicContact CG-CD1 4.45Å; Y409-I413 VanDerWaalsContact CZ-CD1 3.4Å; Y409-I413 PolarHBondContact O-N 3.48Å; S410-I413 PolarHBondContact O-N 2.97Å; S411-I413 VanDerWaalsContact C-N 3.35Å; S411-I413 PolarHBondContact O-N 3.49Å
414G85.4Confident84.5Confident49 Ų4945.9 Ų45.951%0.50528%0.277SS..THydrogen-bonded Turntrans81.213.5-173.300000114.3S410 S411 H416S410-G414 PolarHBondContact O-N 3.47Å; S411-G414 PolarHBondContact O-N 3.28Å; S411-G414 VanDerWaalsContact O-N 3.11Å; G414-H416 PolarHBondContact O-N 3.13Å
415S82.3Confident84.2Confident36 Ų3647.5 Ų47.525%0.25229%0.288SS..  trans-94.250.4-174.8-174.60000113.5S410 S417 L418S410-S415 PolarHBondContact O-N 3.1Å; S410-S415 VanDerWaalsContact OG-C 3.31Å; S410-S415 PolarHBondContact OG-O 3.39Å; S415-S417 PolarHBondContact O-N 2.96Å; S415-L418 WeakPolarHBondContact O-CB 3.32Å; S415-L418 PolarHBondContact O-N 2.97Å; S415-L418 WeakPolarHBondContact OG-CB 3.3Å
416H79.2Confident83.8Confident79 Ų7946.6 Ų46.637%0.36629%0.285SS..Hα-helixtrans-53.7-30-177.8-62.885.6000114.1G414 L418 I419 L420G414-H416 PolarHBondContact O-N 3.13Å; H416-L418 PolarHBondContact O-N 3.46Å; H416-I419 PolarHBondContact O-N 3.33Å; H416-L420 PolarHBondContact O-N 3.21Å
417S83Confident83.4Confident84 Ų8449.4 Ų49.459%0.58730%0.3SS*.Hα-helixtrans-60.1-29.8175.954.40000113.4S415 L420 A421S415-S417 PolarHBondContact O-N 2.96Å; S417-L420 PolarHBondContact O-N 3.21Å; S417-A421 WeakPolarHBondContact O-CB 3.48Å; S417-A421 PolarHBondContact O-N 3.36Å
418L83.7Confident83.2Confident45 Ų4555.3 Ų55.324%0.23633%0.328CS..Hα-helixtrans-69.5-40.2-177.9-17765.3000111.8W372 V378 S415 H416 A421 A422W372-L418 HydrophobicContact CD2-CD2 4.19Å; W372-L418 HydrophobicContact CE3-CD2 3.5Å; W372-L418 HydrophobicContact CH2-CD2 3.87Å; W372-L418 HydrophobicContact CZ2-CD2 4.49Å; W372-L418 HydrophobicContact CZ3-CD2 3.34Å; V378-L418 HydrophobicContact CG1-CD1 4.38Å; V378-L418 HydrophobicContact CG1-CD2 4.32Å; S415-L418 WeakPolarHBondContact O-CB 3.32Å; S415-L418 PolarHBondContact O-N 2.97Å; S415-L418 WeakPolarHBondContact OG-CB 3.3Å; H416-L418 PolarHBondContact O-N 3.46Å; L418-A421 PolarHBondContact O-N 3.34Å; L418-A422 VanDerWaalsContact O-CB 3.3Å; L418-A422 WeakPolarHBondContact O-CB 3.34Å; L418-A422 PolarHBondContact O-N 3.39Å
419I81.6Confident82.6Confident15 Ų1554.9 Ų54.98%0.07732%0.32CS..Hα-helixtrans-65.5-44.2175.8-56.8162.8000109.6I407 S410 H416 A421 A422 L423 I450I407-I419 HydrophobicContact CB-CD1 4.24Å; I407-I419 HydrophobicContact CG1-CD1 4.15Å; I407-I419 HydrophobicContact CG1-CG2 4.48Å; I407-I419 HydrophobicContact CG2-CD1 4.24Å; S410-I419 WeakPolarHBondContact OG-CD1 3.47Å; S410-I419 WeakPolarHBondContact OG-CG1 3.21Å; H416-I419 PolarHBondContact O-N 3.33Å; I419-A421 VanDerWaalsContact C-N 3.33Å; I419-A421 PolarHBondContact O-N 3.11Å; I419-A422 WeakPolarHBondContact O-CB 3.43Å; I419-A422 PolarHBondContact O-N 3.03Å; I419-A422 VanDerWaalsContact O-N 3.16Å; I419-L423 HydrophobicContact CG2-CD1 4.39Å; I419-L423 HydrophobicContact CG2-CG 4.44Å; I419-L423 WeakPolarHBondContact O-CG 3.35Å; I419-L423 PolarHBondContact O-N 3.28Å; I419-I450 HydrophobicContact CG2-CD1 4.04Å; I419-I450 HydrophobicContact CG2-CG2 3.7Å
420L82.3Confident82.1Confident73 Ų7352.4 Ų52.438%0.38231%0.31SS..Hα-helixtrans-62.2-42.1178.6-65.9175.7000111.5H416 S417 L423 Q424 I450 R451H416-L420 PolarHBondContact O-N 3.21Å; S417-L420 PolarHBondContact O-N 3.21Å; L420-L423 PolarHBondContact O-N 3.18Å; L420-Q424 WeakPolarHBondContact O-CG 2.83Å; L420-Q424 PolarHBondContact O-N 2.98Å; L420-I450 HydrophobicContact CD2-CG2 4.35Å; L420-R451 HydrophobicContact CD2-CG 4.18Å
421A83.9Confident81.6Confident42 Ų4256.7 Ų56.735%0.34735%0.346SS..Hα-helixtrans-65.2-37.4173.900000112.3S417 L418 I419 Q424 T425S417-A421 WeakPolarHBondContact O-CB 3.48Å; S417-A421 PolarHBondContact O-N 3.36Å; L418-A421 PolarHBondContact O-N 3.34Å; I419-A421 VanDerWaalsContact C-N 3.33Å; I419-A421 PolarHBondContact O-N 3.11Å; A421-Q424 PolarHBondContact O-N 3.03Å; A421-T425 WeakPolarHBondContact O-CB 3.28Å; A421-T425 PolarHBondContact O-N 3.46Å; A421-T425 PolarHBondContact O-OG1 3.11Å
422A81.8Confident81.1Confident7 Ų764.7 Ų64.76%0.05837%0.37CS..Hα-helixtrans-63.7-44.8174.800000111.7L382 L418 I419 T425 F426L382-A422 HydrophobicContact CD1-CB 4.29Å; L382-A422 HydrophobicContact CD2-CB 3.47Å; L382-A422 VanDerWaalsContact CD2-CB 3.47Å; L418-A422 VanDerWaalsContact O-CB 3.3Å; L418-A422 WeakPolarHBondContact O-CB 3.34Å; L418-A422 PolarHBondContact O-N 3.39Å; I419-A422 WeakPolarHBondContact O-CB 3.43Å; I419-A422 PolarHBondContact O-N 3.03Å; I419-A422 VanDerWaalsContact O-N 3.16Å; A422-T425 CarbonylContact O-C 3.59Å; A422-T425 WeakPolarHBondContact O-CB 3.13Å; A422-T425 PolarHBondContact O-N 3.42Å; A422-T425 VanDerWaalsContact O-N 3.17Å; A422-F426 HydrophobicContact CB-CZ 4.45Å; A422-F426 WeakPolarHBondContact O-CD1 3.44Å; A422-F426 WeakPolarHBondContact O-CG 3.39Å; A422-F426 PolarHBondContact O-N 3.02Å
423L80.5Confident80.5Confident5 Ų565.3 Ų65.33%0.02636%0.361CS..Hα-helixtrans-61.9-43.9175.7-68.3174.7000111.9I419 L420 T425 F426 D427 F443 I446 I450I419-L423 HydrophobicContact CG2-CD1 4.39Å; I419-L423 HydrophobicContact CG2-CG 4.44Å; I419-L423 WeakPolarHBondContact O-CG 3.35Å; I419-L423 PolarHBondContact O-N 3.28Å; L420-L423 PolarHBondContact O-N 3.18Å; L423-T425 VanDerWaalsContact C-N 3.28Å; L423-T425 PolarHBondContact O-N 3.48Å; L423-F426 HydrophobicContact CD2-CD2 4.42Å; L423-F426 WeakPolarHBondContact O-CB 3.25Å; L423-F426 PolarHBondContact O-N 2.94Å; L423-F426 VanDerWaalsContact O-N 3.13Å; L423-D427 PolarHBondContact O-N 2.98Å; L423-F443 HydrophobicContact CD2-CZ 4.46Å; L423-I446 HydrophobicContact CD2-CG2 3.61Å; L423-I450 HydrophobicContact CD1-CB 3.86Å; L423-I450 HydrophobicContact CD1-CD1 3.81Å; L423-I450 HydrophobicContact CD1-CG1 4.43Å; L423-I450 HydrophobicContact CD1-CG2 3.71Å; L423-I450 HydrophobicContact CD2-CD1 4.11Å; L423-I450 HydrophobicContact CG-CD1 4.37Å
424Q84Confident79.9Confident108 Ų10863.3 Ų63.351%0.50536%0.363SS..Hα-helixtrans-60.3-40.1173.9-72.6176.4-5.300111.9L420 A421 F426 D427 Q428L420-Q424 WeakPolarHBondContact O-CG 2.83Å; L420-Q424 PolarHBondContact O-N 2.98Å; A421-Q424 PolarHBondContact O-N 3.03Å; Q424-F426 VanDerWaalsContact C-N 3.33Å; Q424-D427 WeakPolarHBondContact O-CB 3.46Å; Q424-D427 PolarHBondContact O-N 3Å; Q424-Q428 VanDerWaalsContact O-CG 3.31Å; Q424-Q428 WeakPolarHBondContact O-CG 3.33Å; Q424-Q428 PolarHBondContact O-N 2.9Å
425T79.6Confident79.5Confident66 Ų6663.3 Ų63.341%0.40535%0.351SS..Hα-helixtrans-66.1-38.5176-540000110.9A421 A422 L423 Q428 Q429A421-T425 WeakPolarHBondContact O-CB 3.28Å; A421-T425 PolarHBondContact O-N 3.46Å; A421-T425 PolarHBondContact O-OG1 3.11Å; A422-T425 CarbonylContact O-C 3.59Å; A422-T425 WeakPolarHBondContact O-CB 3.13Å; A422-T425 PolarHBondContact O-N 3.42Å; A422-T425 VanDerWaalsContact O-N 3.17Å; L423-T425 VanDerWaalsContact C-N 3.28Å; L423-T425 PolarHBondContact O-N 3.48Å; T425-Q428 PolarHBondContact O-N 2.92Å; T425-Q429 HydrophobicContact CG2-CG 4.48Å; T425-Q429 WeakPolarHBondContact O-CB 3.07Å; T425-Q429 WeakPolarHBondContact O-CG 3.49Å; T425-Q429 PolarHBondContact O-N 3.27Å
426F79Confident79.4Confident7 Ų763.7 Ų63.73%0.03135%0.354CS..Hα-helixtrans-66.4-44.9176.9-63.7-7.5000110.9L382 P385 L386 A422 L423 Q424 Q428 Q429 N430 F443L382-F426 HydrophobicContact CB-CE1 4.37Å; L382-F426 HydrophobicContact CB-CZ 4.44Å; L382-F426 HydrophobicContact CD2-CZ 4.14Å; L382-F426 WeakPolarHBondContact O-CZ 3.16Å; P385-F426 HydrophobicContact CB-CE2 4.44Å; L386-F426 HydrophobicContact CD1-CD1 3.56Å; L386-F426 HydrophobicContact CD1-CE1 3.42Å; L386-F426 VanDerWaalsContact CD1-CE1 3.42Å; L386-F426 HydrophobicContact CD1-CZ 4.41Å; L386-F426 HydrophobicContact CD2-CB 3.95Å; L386-F426 HydrophobicContact CD2-CD1 3.24Å; L386-F426 HydrophobicContact CD2-CD2 4.32Å; L386-F426 HydrophobicContact CD2-CE1 3.73Å; L386-F426 HydrophobicContact CD2-CG 3.58Å; L386-F426 HydrophobicContact CD2-CZ 4.41Å; L386-F426 HydrophobicContact CG-CD1 3.36Å; L386-F426 HydrophobicContact CG-CE1 3.25Å; L386-F426 HydrophobicContact CG-CG 4.09Å; L386-F426 HydrophobicContact CG-CZ 3.88Å; A422-F426 HydrophobicContact CB-CZ 4.45Å; A422-F426 WeakPolarHBondContact O-CD1 3.44Å; A422-F426 WeakPolarHBondContact O-CG 3.39Å; A422-F426 PolarHBondContact O-N 3.02Å; L423-F426 HydrophobicContact CD2-CD2 4.42Å; L423-F426 WeakPolarHBondContact O-CB 3.25Å; L423-F426 PolarHBondContact O-N 2.94Å; L423-F426 VanDerWaalsContact O-N 3.13Å; Q424-F426 VanDerWaalsContact C-N 3.33Å; F426-Q428 VanDerWaalsContact C-N 3.35Å; F426-Q428 PolarHBondContact O-N 3.46Å; F426-Q429 PolarHBondContact O-N 2.95Å; F426-N430 WeakPolarHBondContact O-CB 3.38Å; F426-N430 PolarHBondContact O-N 3.03Å; F426-N430 PolarHBondContact O-ND2 3.39Å; F426-F443 HydrophobicContact CB-CE2 3.49Å; F426-F443 VanDerWaalsContact CB-CE2 3.49Å; F426-F443 HydrophobicContact CB-CZ 3.75Å; F426-F443 HydrophobicContact CD2-CE2 4.24Å; F426-F443 HydrophobicContact CG-CE2 4.39Å
427D79.5Confident79.4Confident66 Ų6664.9 Ų64.935%0.35337%0.369SS..Hα-helixtrans-52.9-50.2172.3-92-39.9000111.8L423 Q424 Q429 N430 A431 F443L423-D427 PolarHBondContact O-N 2.98Å; Q424-D427 WeakPolarHBondContact O-CB 3.46Å; Q424-D427 PolarHBondContact O-N 3Å; D427-Q429 PolarHBondContact O-N 2.97Å; D427-N430 PolarHBondContact O-N 2.88Å; D427-A431 WeakPolarHBondContact O-CB 3.47Å; D427-A431 PolarHBondContact O-N 3.23Å; D427-F443 HydrophobicContact CB-CE1 4.35Å; D427-F443 HydrophobicContact CB-CZ 4.44Å; D427-F443 WeakPolarHBondContact OD1-CD1 3.33Å; D427-F443 WeakPolarHBondContact OD1-CE1 3.12Å
428Q80.4Confident79.4Confident126 Ų12663 Ų6359%0.58935%0.352SS*.Hα-helixtrans-63.5-39.6-179.9-72.4175.96.800113Q424 T425 F426Q424-Q428 VanDerWaalsContact O-CG 3.31Å; Q424-Q428 WeakPolarHBondContact O-CG 3.33Å; Q424-Q428 PolarHBondContact O-N 2.9Å; T425-Q428 PolarHBondContact O-N 2.92Å; F426-Q428 VanDerWaalsContact C-N 3.35Å; F426-Q428 PolarHBondContact O-N 3.46Å
429Q74.5Confident79.3Confident74 Ų7461.9 Ų61.935%0.34635%0.345SS..Hα-helixtrans-70-38.8177.6-71.2-71.6-2900111.5T425 F426 D427 R432 I433T425-Q429 HydrophobicContact CG2-CG 4.48Å; T425-Q429 WeakPolarHBondContact O-CB 3.07Å; T425-Q429 WeakPolarHBondContact O-CG 3.49Å; T425-Q429 PolarHBondContact O-N 3.27Å; F426-Q429 PolarHBondContact O-N 2.95Å; D427-Q429 PolarHBondContact O-N 2.97Å; Q429-R432 PolarHBondContact O-N 2.93Å; Q429-I433 PolarHBondContact O-N 3.36Å
430N75.3Confident79.2Confident7 Ų762.4 Ų62.44%0.03735%0.352CS..Hα-helixtrans-72.9-35.2-178.8-71.7-22.6000112.4L389 F426 D427 R432 I433 G434 L435L389-N430 WeakPolarHBondContact CD2-ND2 3.43Å; F426-N430 WeakPolarHBondContact O-CB 3.38Å; F426-N430 PolarHBondContact O-N 3.03Å; F426-N430 PolarHBondContact O-ND2 3.39Å; D427-N430 PolarHBondContact O-N 2.88Å; N430-R432 PolarHBondContact O-N 2.95Å; N430-I433 PolarHBondContact O-N 3.18Å; N430-G434 PolarHBondContact O-N 2.99Å; N430-L435 HydrophobicContact CB-CD1 3.63Å; N430-L435 HydrophobicContact CB-CD2 4.11Å; N430-L435 HydrophobicContact CB-CG 3.76Å
431A77.9Confident79.1Confident89 Ų8963 Ų6374%0.73635%0.349SS*.Hα-helixtrans-59.8-25.8172.800000113D427D427-A431 WeakPolarHBondContact O-CB 3.47Å; D427-A431 PolarHBondContact O-N 3.23Å
432R74.9Confident79Confident203 Ų20361 Ų6177%0.76633%0.333SS*.Hα-helixtrans-84.1-31.8178.7-68.4179.6-178.8-176.30.7114.2Q429 N430Q429-R432 PolarHBondContact O-N 2.93Å; N430-R432 PolarHBondContact O-N 2.95Å
433I74.9Confident78.8Confident98 Ų9861.1 Ų61.150%0.50333%0.332SS..Hα-helixtrans-96.4-27.1-172.9-61.9171.9000111.2R390 Q429 N430R390-I433 VanDerWaalsContact CZ-CD1 3.44Å; Q429-I433 PolarHBondContact O-N 3.36Å; N430-I433 PolarHBondContact O-N 3.18Å
434G75Confident78.8Confident51 Ų5169.4 Ų69.453%0.52636%0.363SS..  trans79.9128.4-168.100000110.4N430N430-G434 PolarHBondContact O-N 2.99Å
435L75.9Confident78.8Confident48 Ų4866.4 Ų66.425%0.25135%0.349SS..  trans-99.9148.1172.5-69.9174.4000109.4L389 N430 Q439 A440 F443L389-L435 HydrophobicContact CD2-CD2 4.31Å; L389-L435 HydrophobicContact CG-CD2 4.43Å; N430-L435 HydrophobicContact CB-CD1 3.63Å; N430-L435 HydrophobicContact CB-CD2 4.11Å; N430-L435 HydrophobicContact CB-CG 3.76Å; L435-Q439 HydrophobicContact CB-CB 3.9Å; L435-Q439 HydrophobicContact CD2-CB 3.94Å; L435-Q439 HydrophobicContact CG-CB 4.33Å; L435-A440 HydrophobicContact CB-CB 4.36Å; L435-F443 HydrophobicContact CD1-CB 4.38Å
436S80.2Confident78.9Confident45 Ų4563.3 Ų63.332%0.31533%0.33SS..  trans-61.6153.8164.776.80000109.8L438 Q439 A440S436-L438 PolarHBondContact O-N 3.04Å; S436-Q439 WeakPolarHBondContact O-CB 3.45Å; S436-Q439 PolarHBondContact O-N 3.34Å; S436-Q439 WeakPolarHBondContact OG-CG 3.48Å; S436-Q439 PolarHBondContact OG-N 2.91Å; S436-A440 PolarHBondContact O-N 3.24Å
437P79.9Confident78.9Confident104 Ų10463.6 Ų63.668%0.67533%0.332SS*.Hα-helixtrans-54.6-38.2179.617.1-29.4000112.3A440 R441P437-A440 PolarHBondContact O-N 3Å; P437-R441 WeakPolarHBondContact O-CG 3.45Å; P437-R441 PolarHBondContact O-N 3.39Å
438L81.8Confident79Confident43 Ų4365 Ų6523%0.22534%0.344CS..Hα-helixtrans-62.1-47.6174-178.464.8000112.4P393 S436 A440 R441 H442 A466P393-L438 HydrophobicContact CB-CD2 3.93Å; P393-L438 HydrophobicContact CG-CD2 3.84Å; S436-L438 PolarHBondContact O-N 3.04Å; L438-A440 VanDerWaalsContact C-N 3.29Å; L438-A440 PolarHBondContact O-N 3.41Å; L438-R441 WeakPolarHBondContact O-CB 3.25Å; L438-R441 PolarHBondContact O-N 3.17Å; L438-R441 VanDerWaalsContact O-N 3.17Å; L438-H442 PolarHBondContact O-CD2 2.73Å; L438-H442 VanDerWaalsContact O-CD2 3.24Å; L438-H442 PolarHBondContact O-N 3.24Å; L438-A466 HydrophobicContact CD1-CB 3.8Å
439Q81.5Confident79.2Confident22 Ų2260.5 Ų60.510%0.10332%0.322CS..Hα-helixtrans-61.8-38.2176.9-72.8166.7-3.200111.9L389 R390 L392 L435 S436 F443L389-Q439 WeakPolarHBondContact O-CG 3.25Å; L389-Q439 PolarHBondContact O-NE2 2.9Å; R390-Q439 PolarHBondContact O-NE2 3.43Å; L392-Q439 HydrophobicContact CB-CG 4Å; L435-Q439 HydrophobicContact CB-CB 3.9Å; L435-Q439 HydrophobicContact CD2-CB 3.94Å; L435-Q439 HydrophobicContact CG-CB 4.33Å; S436-Q439 WeakPolarHBondContact O-CB 3.45Å; S436-Q439 PolarHBondContact O-N 3.34Å; S436-Q439 WeakPolarHBondContact OG-CG 3.48Å; S436-Q439 PolarHBondContact OG-N 2.91Å; Q439-F443 WeakPolarHBondContact O-CB 3.48Å; Q439-F443 PolarHBondContact O-N 3.43Å
440A79.5Confident79.4Confident26 Ų2657.4 Ų57.422%0.21531%0.308CS..Hα-helixtrans-65.8-36.7175.400000112.2L435 S436 P437 L438 F443 R444L435-A440 HydrophobicContact CB-CB 4.36Å; S436-A440 PolarHBondContact O-N 3.24Å; P437-A440 PolarHBondContact O-N 3Å; L438-A440 VanDerWaalsContact C-N 3.29Å; L438-A440 PolarHBondContact O-N 3.41Å; A440-F443 PolarHBondContact O-N 3.36Å; A440-R444 WeakPolarHBondContact O-CG 3.28Å; A440-R444 PolarHBondContact O-N 3Å
441R81.3Confident79.5Confident86 Ų8664.7 Ų64.733%0.32534%0.335SS..Hα-helixtrans-63.1-52.4173.3-75.4-179.5-177.4163.2-5111.9P437 L438 F443 R444 H445 L461 A466 E467 E468P437-R441 WeakPolarHBondContact O-CG 3.45Å; P437-R441 PolarHBondContact O-N 3.39Å; L438-R441 WeakPolarHBondContact O-CB 3.25Å; L438-R441 PolarHBondContact O-N 3.17Å; L438-R441 VanDerWaalsContact O-N 3.17Å; R441-F443 PolarHBondContact O-N 3.42Å; R441-R444 PolarHBondContact O-N 3.08Å; R441-H445 PolarHBondContact O-N 3.29Å; R441-L461 HydrophobicContact CB-CD2 4.45Å; R441-A466 PolarHBondContact NH1-O 3.02Å; R441-E467 PolarHBondContact NH1-O 3Å; R441-E467 VanDerWaalsContact NH1-O 3.1Å; R441-E468 VanDerWaalsContact CZ-O 3.27Å; R441-E468 PolarHBondContact NE-OXT 2.97Å; R441-E468 VanDerWaalsContact NE-OXT 3.16Å; R441-E468 PolarHBondContact NH1-O 3.43Å; R441-E468 PolarHBondContact NH1-OXT 3.4Å; R441-E468 PolarHBondContact NH2-O 3.31Å; R441-E468 PolarHBondContact NH2-OXT 3.36Å
442H81.1Confident79.7Confident0 Ų063.9 Ų63.90%032%0.324CS..Hα-helixtrans-54.4-43.7174.3-77.3-75.9000111.2L392 Y400 L438 R444 H445 I446L392-H442 HydrophobicContact CD1-CB 3.86Å; Y400-H442 AromaticContact CE2-ND1 3.76Å; Y400-H442 AromaticContact CZ-ND1 3.84Å; Y400-H442 PolarHBondContact OH-ND1 2.92Å; L438-H442 PolarHBondContact O-CD2 2.73Å; L438-H442 VanDerWaalsContact O-CD2 3.24Å; L438-H442 PolarHBondContact O-N 3.24Å; H442-R444 PolarHBondContact O-N 3.46Å; H442-H445 WeakPolarHBondContact O-CB 3.46Å; H442-H445 PolarHBondContact O-N 3.46Å; H442-I446 VanDerWaalsContact O-CD1 3.25Å; H442-I446 WeakPolarHBondContact O-CD1 3.42Å; H442-I446 WeakPolarHBondContact O-CG1 3.36Å; H442-I446 PolarHBondContact O-N 2.9Å
443F78.6Confident79.8Confident9 Ų956.9 Ų56.94%0.03930%0.301CS..Hα-helixtrans-65.3-39.8-179.6-164.4-86.4000113.6L389 L423 F426 D427 L435 Q439 A440 R441 I446 S447L389-F443 HydrophobicContact CD1-CD2 4.41Å; L389-F443 HydrophobicContact CD2-CD2 3.86Å; L389-F443 HydrophobicContact CD2-CE2 4.39Å; L423-F443 HydrophobicContact CD2-CZ 4.46Å; F426-F443 HydrophobicContact CB-CE2 3.49Å; F426-F443 VanDerWaalsContact CB-CE2 3.49Å; F426-F443 HydrophobicContact CB-CZ 3.75Å; F426-F443 HydrophobicContact CD2-CE2 4.24Å; F426-F443 HydrophobicContact CG-CE2 4.39Å; D427-F443 HydrophobicContact CB-CE1 4.35Å; D427-F443 HydrophobicContact CB-CZ 4.44Å; D427-F443 WeakPolarHBondContact OD1-CD1 3.33Å; D427-F443 WeakPolarHBondContact OD1-CE1 3.12Å; L435-F443 HydrophobicContact CD1-CB 4.38Å; Q439-F443 WeakPolarHBondContact O-CB 3.48Å; Q439-F443 PolarHBondContact O-N 3.43Å; A440-F443 PolarHBondContact O-N 3.36Å; R441-F443 PolarHBondContact O-N 3.42Å; F443-I446 PolarHBondContact O-N 3.28Å; F443-S447 WeakPolarHBondContact CE1-OG 3.37Å; F443-S447 WeakPolarHBondContact O-CB 3.15Å; F443-S447 PolarHBondContact O-N 3.37Å; F443-S447 PolarHBondContact O-OG 3.17Å
444R80.6Confident79.7Confident180 Ų18056.3 Ų56.368%0.67930%0.304SS*.Hα-helixtrans-64.5-43.7174.2-76178.9-172.2158.12.8111.7A440 R441 H442 I446 S447 T448A440-R444 WeakPolarHBondContact O-CG 3.28Å; A440-R444 PolarHBondContact O-N 3Å; R441-R444 PolarHBondContact O-N 3.08Å; H442-R444 PolarHBondContact O-N 3.46Å; R444-I446 VanDerWaalsContact C-N 3.34Å; R444-I446 PolarHBondContact O-N 3.34Å; R444-S447 PolarHBondContact O-N 2.97Å; R444-T448 WeakPolarHBondContact O-CB 3.41Å; R444-T448 PolarHBondContact O-N 2.93Å; R444-T448 PolarHBondContact O-OG1 3.34Å
445H83.5Confident79.5Confident44 Ų4455 Ų5520%0.20429%0.291CS..Hα-helixtrans-56-49.2175.2175.868.6000111.7R441 H442 S447 T448 F449 P459 L461R441-H445 PolarHBondContact O-N 3.29Å; H442-H445 WeakPolarHBondContact O-CB 3.46Å; H442-H445 PolarHBondContact O-N 3.46Å; H445-S447 PolarHBondContact O-N 3.49Å; H445-T448 PolarHBondContact O-N 3.38Å; H445-F449 VanDerWaalsContact O-CB 3.31Å; H445-F449 WeakPolarHBondContact O-CB 3.34Å; H445-F449 PolarHBondContact O-N 3.03Å; H445-P459 PolarHBondContact NE2-O 3.27Å; H445-L461 HydrophobicContact CB-CD1 3.79Å
446I82Confident79.6Confident1 Ų157.8 Ų57.81%0.00530%0.303CS..Hα-helixtrans-57.6-50.6176.7-64.8159000111.6F399 L403 L423 H442 F443 R444 T448 F449 I450 L458F399-I446 HydrophobicContact CE1-CD1 3.33Å; F399-I446 HydrophobicContact CE1-CG1 4.38Å; F399-I446 HydrophobicContact CZ-CD1 3.41Å; F399-I446 VanDerWaalsContact CZ-CD1 3.41Å; L403-I446 HydrophobicContact CD2-CD1 4.12Å; L403-I446 HydrophobicContact CD2-CG1 4.06Å; L403-I446 HydrophobicContact CD2-CG2 3.69Å; L423-I446 HydrophobicContact CD2-CG2 3.61Å; H442-I446 VanDerWaalsContact O-CD1 3.25Å; H442-I446 WeakPolarHBondContact O-CD1 3.42Å; H442-I446 WeakPolarHBondContact O-CG1 3.36Å; H442-I446 PolarHBondContact O-N 2.9Å; F443-I446 PolarHBondContact O-N 3.28Å; R444-I446 VanDerWaalsContact C-N 3.34Å; R444-I446 PolarHBondContact O-N 3.34Å; I446-T448 VanDerWaalsContact C-N 3.31Å; I446-T448 PolarHBondContact O-N 3.28Å; I446-F449 PolarHBondContact O-N 2.85Å; I446-I450 HydrophobicContact CG2-CD1 3.51Å; I446-I450 HydrophobicContact CG2-CG1 4.38Å; I446-I450 WeakPolarHBondContact O-CB 3.31Å; I446-I450 WeakPolarHBondContact O-CG1 3.37Å; I446-I450 PolarHBondContact O-N 3.49Å; I446-L458 HydrophobicContact CB-CD2 4.27Å; I446-L458 HydrophobicContact CG1-CD2 3.57Å; I446-L458 HydrophobicContact CG2-CD2 4.33Å
447S79.4Confident79.5Confident13 Ų1359.8 Ų59.89%0.09132%0.315CS..Hα-helixtrans-66.1-36.1-174.9-64.80000112F443 R444 H445 R451F443-S447 WeakPolarHBondContact CE1-OG 3.37Å; F443-S447 WeakPolarHBondContact O-CB 3.15Å; F443-S447 PolarHBondContact O-N 3.37Å; F443-S447 PolarHBondContact O-OG 3.17Å; R444-S447 PolarHBondContact O-N 2.97Å; H445-S447 PolarHBondContact O-N 3.49Å; S447-R451 WeakPolarHBondContact O-CB 3.48Å; S447-R451 WeakPolarHBondContact O-CD 3.32Å; S447-R451 WeakPolarHBondContact O-CG 3.49Å; S447-R451 PolarHBondContact O-N 3.1Å
448T81.8Confident79.5Confident96 Ų9655 Ų5559%0.58928%0.283SS*.Hα-helixtrans-69.8-49.8175.1-54.70000110.4R444 H445 I446 R451 S452R444-T448 WeakPolarHBondContact O-CB 3.41Å; R444-T448 PolarHBondContact O-N 2.93Å; R444-T448 PolarHBondContact O-OG1 3.34Å; H445-T448 PolarHBondContact O-N 3.38Å; I446-T448 VanDerWaalsContact C-N 3.31Å; I446-T448 PolarHBondContact O-N 3.28Å; T448-R451 PolarHBondContact O-N 2.85Å; T448-S452 PolarHBondContact O-N 2.99Å; T448-S452 PolarHBondContact O-OG 2.99Å
449F82.8Confident79.5Confident32 Ų3255.8 Ų55.814%0.1429%0.291CS..Hα-helixtrans-65-43.9-175.9-172.5-86.4000112.9H445 I446 R451 S452 N453 E456 L458 P459H445-F449 VanDerWaalsContact O-CB 3.31Å; H445-F449 WeakPolarHBondContact O-CB 3.34Å; H445-F449 PolarHBondContact O-N 3.03Å; I446-F449 PolarHBondContact O-N 2.85Å; F449-R451 VanDerWaalsContact C-N 3.26Å; F449-R451 PolarHBondContact O-N 3.16Å; F449-S452 WeakPolarHBondContact CA-OG 3.36Å; F449-S452 PolarHBondContact O-N 3.21Å; F449-S452 PolarHBondContact O-OG 2.98Å; F449-S452 VanDerWaalsContact O-OG 3.06Å; F449-N453 HydrophobicContact CE1-CB 4.11Å; F449-N453 WeakPolarHBondContact CE2-ND2 3.46Å; F449-N453 HydrophobicContact CZ-CB 4.14Å; F449-N453 PolarHBondContact O-N 3.24Å; F449-E456 HydrophobicContact CE1-CB 4.12Å; F449-E456 HydrophobicContact CZ-CB 4.19Å; F449-L458 HydrophobicContact CB-CD1 3.43Å; F449-L458 VanDerWaalsContact CB-CD1 3.43Å; F449-L458 HydrophobicContact CD1-CB 4.23Å; F449-L458 HydrophobicContact CD1-CD1 3.42Å; F449-L458 VanDerWaalsContact CD1-CD1 3.42Å; F449-L458 HydrophobicContact CD1-CG 4.41Å; F449-L458 HydrophobicContact CD2-CD1 4.36Å; F449-L458 HydrophobicContact CE1-CB 4.43Å; F449-L458 HydrophobicContact CE1-CD1 4.29Å; F449-L458 HydrophobicContact CG-CD1 3.47Å; F449-L458 VanDerWaalsContact CG-CD1 3.47Å; F449-P459 HydrophobicContact CD2-CG 4.31Å; F449-P459 VanDerWaalsContact CE2-CD 3.45Å; F449-P459 HydrophobicContact CE2-CG 3.93Å; F449-P459 VanDerWaalsContact CZ-CD 3.44Å; F449-P459 HydrophobicContact CZ-CG 4.36Å
450I78.6Confident79.3Confident9 Ų958.7 Ų58.75%0.04631%0.312CS..Hα-helixtrans-67.9-30.2180-68.4172000111.4I407 I419 L420 L423 I446I407-I450 HydrophobicContact CD1-CD1 3.78Å; I407-I450 HydrophobicContact CD1-CG1 3.98Å; I407-I450 HydrophobicContact CG1-CD1 4.3Å; I419-I450 HydrophobicContact CG2-CD1 4.04Å; I419-I450 HydrophobicContact CG2-CG2 3.7Å; L420-I450 HydrophobicContact CD2-CG2 4.35Å; L423-I450 HydrophobicContact CD1-CB 3.86Å; L423-I450 HydrophobicContact CD1-CD1 3.81Å; L423-I450 HydrophobicContact CD1-CG1 4.43Å; L423-I450 HydrophobicContact CD1-CG2 3.71Å; L423-I450 HydrophobicContact CD2-CD1 4.11Å; L423-I450 HydrophobicContact CG-CD1 4.37Å; I446-I450 HydrophobicContact CG2-CD1 3.51Å; I446-I450 HydrophobicContact CG2-CG1 4.38Å; I446-I450 WeakPolarHBondContact O-CB 3.31Å; I446-I450 WeakPolarHBondContact O-CG1 3.37Å; I446-I450 PolarHBondContact O-N 3.49Å
451R79.3Confident79.1Confident160 Ų16058.1 Ų58.160%0.60431%0.305SS*.Hα-helixtrans-76.1-33.8175-72.9178.2-170.9-148.76.8112.4L420 S447 T448 F449L420-R451 HydrophobicContact CD2-CG 4.18Å; S447-R451 WeakPolarHBondContact O-CB 3.48Å; S447-R451 WeakPolarHBondContact O-CD 3.32Å; S447-R451 WeakPolarHBondContact O-CG 3.49Å; S447-R451 PolarHBondContact O-N 3.1Å; T448-R451 PolarHBondContact O-N 2.85Å; F449-R451 VanDerWaalsContact C-N 3.26Å; F449-R451 PolarHBondContact O-N 3.16Å
452S80.9Confident78.6Confident71 Ų7156.3 Ų56.350%0.49731%0.306SS..Hα-helixtrans-80.3-39.7178.560.30000112.9T448 F449 P454T448-S452 PolarHBondContact O-N 2.99Å; T448-S452 PolarHBondContact O-OG 2.99Å; F449-S452 WeakPolarHBondContact CA-OG 3.36Å; F449-S452 PolarHBondContact O-N 3.21Å; F449-S452 PolarHBondContact O-OG 2.98Å; F449-S452 VanDerWaalsContact O-OG 3.06Å; S452-P454 WeakPolarHBondContact O-CD 3.41Å
453N78Confident77.7Confident56 Ų5662.6 Ų62.630%0.29934%0.338SS..SBendtrans-12773.3-172.8-56.8-41.7000110.2F449 G455 E456F449-N453 HydrophobicContact CE1-CB 4.11Å; F449-N453 WeakPolarHBondContact CE2-ND2 3.46Å; F449-N453 HydrophobicContact CZ-CB 4.14Å; F449-N453 PolarHBondContact O-N 3.24Å; N453-G455 PolarHBondContact O-N 3.17Å; N453-G455 VanDerWaalsContact O-N 3.08Å; N453-E456 HydrophobicContact CB-CB 4.05Å; N453-E456 HydrophobicContact CB-CG 4.17Å; N453-E456 PolarHBondContact O-N 2.89Å
454P72.5Confident76.7Confident86 Ų8669.7 Ų69.756%0.55837%0.371SS*.THydrogen-bonded Turntrans-62.2116.4-178.825.5-33.2000110.4S452S452-P454 WeakPolarHBondContact O-CD 3.41Å
455G70.5Confident75.8Confident24 Ų2465.9 Ų65.925%0.24736%0.361CS..THydrogen-bonded Turntrans94.6-5.9173.400000116.1S411 N453S411-G455 WeakPolarHBondContact OG-CA 3.42Å; N453-G455 PolarHBondContact O-N 3.17Å; N453-G455 VanDerWaalsContact O-N 3.08Å
456E78.6Confident74.6Confident107 Ų10764.2 Ų64.250%0.536%0.356SS..SBendtrans-77.2147.4171.6-68.3-168.5168.400111.5F449 N453 L458F449-E456 HydrophobicContact CE1-CB 4.12Å; F449-E456 HydrophobicContact CZ-CB 4.19Å; N453-E456 HydrophobicContact CB-CB 4.05Å; N453-E456 HydrophobicContact CB-CG 4.17Å; N453-E456 PolarHBondContact O-N 2.89Å; E456-L458 PolarHBondContact O-N 3.06Å
457P78.3Confident73.3Confident87 Ų8772 Ų7257%0.56539%0.392SS*.PPolyproline II helixtrans-63.7125.6175.426.8-33.1000110P459P457-P459 WeakPolarHBondContact O-CD 3.42Å
458L79.9Confident71.7Confident3 Ų380.4 Ų80.42%0.01643%0.43CS..PPolyproline II helixtrans-66.6120.4177.2-179.874.5000110.2Y400 L403 N404 I407 I446 F449 E456Y400-L458 HydrophobicContact CD1-CD2 3.49Å; Y400-L458 VanDerWaalsContact CD1-CD2 3.49Å; Y400-L458 HydrophobicContact CD1-CG 3.88Å; Y400-L458 HydrophobicContact CE1-CD2 3.31Å; Y400-L458 HydrophobicContact CE1-CG 3.71Å; L403-L458 HydrophobicContact CD2-CD2 3.65Å; N404-L458 PolarHBondContact ND2-O 2.95Å; N404-L458 WeakPolarHBondContact OD1-CA 3.3Å; N404-L458 VanDerWaalsContact OD1-CB 3.25Å; N404-L458 WeakPolarHBondContact OD1-CB 3.38Å; N404-L458 PolarHBondContact OD1-N 2.9Å; I407-L458 HydrophobicContact CD1-CB 4.24Å; I446-L458 HydrophobicContact CB-CD2 4.27Å; I446-L458 HydrophobicContact CG1-CD2 3.57Å; I446-L458 HydrophobicContact CG2-CD2 4.33Å; F449-L458 HydrophobicContact CB-CD1 3.43Å; F449-L458 VanDerWaalsContact CB-CD1 3.43Å; F449-L458 HydrophobicContact CD1-CB 4.23Å; F449-L458 HydrophobicContact CD1-CD1 3.42Å; F449-L458 VanDerWaalsContact CD1-CD1 3.42Å; F449-L458 HydrophobicContact CD1-CG 4.41Å; F449-L458 HydrophobicContact CD2-CD1 4.36Å; F449-L458 HydrophobicContact CE1-CB 4.43Å; F449-L458 HydrophobicContact CE1-CD1 4.29Å; F449-L458 HydrophobicContact CG-CD1 3.47Å; F449-L458 VanDerWaalsContact CG-CD1 3.47Å; E456-L458 PolarHBondContact O-N 3.06Å
459P80.3Confident71.2Confident59 Ų5979.6 Ų79.638%0.38342%0.422SS..PPolyproline II helixtrans-71.5141.5171.928.5-33000110.6Y400 H445 F449 P457Y400-P459 VanDerWaalsContact CE1-O 3.32Å; Y400-P459 WeakPolarHBondContact CE1-O 3.44Å; H445-P459 PolarHBondContact NE2-O 3.27Å; F449-P459 HydrophobicContact CD2-CG 4.31Å; F449-P459 VanDerWaalsContact CE2-CD 3.45Å; F449-P459 HydrophobicContact CE2-CG 3.93Å; F449-P459 VanDerWaalsContact CZ-CD 3.44Å; F449-P459 HydrophobicContact CZ-CG 4.36Å; P457-P459 WeakPolarHBondContact O-CD 3.42Å
460P77.9Confident70.5Confident83 Ų8382.1 Ų82.154%0.53944%0.436SS..PPolyproline II helixtrans-60139.5172.526.3-32.4000110.4Y400 S462Y400-P460 HydrophobicContact CD1-CB 4.39Å; Y400-P460 HydrophobicContact CD2-CB 4.39Å; Y400-P460 VanDerWaalsContact CE1-CA 3.49Å; Y400-P460 HydrophobicContact CE1-CB 4.48Å; Y400-P460 HydrophobicContact CE2-CB 4.5Å; Y400-P460 HydrophobicContact CG-CB 4.35Å; P460-S462 PolarHBondContact O-N 2.89Å
461L76.2Confident70.1Confident15 Ų1586.2 Ų86.28%0.07946%0.458CS..PPolyproline II helixtrans-60.8129.5171.9-164.877.9000108.2Q396 Y400 R441 H445 E465 A466Q396-L461 PolarHBondContact NE2-O 2.81Å; Y400-L461 WeakPolarHBondContact OH-CB 3.21Å; Y400-L461 PolarHBondContact OH-N 3.44Å; R441-L461 HydrophobicContact CB-CD2 4.45Å; H445-L461 HydrophobicContact CB-CD1 3.79Å; L461-E465 HydrophobicContact CD1-CB 3.94Å; L461-E465 HydrophobicContact CD2-CB 4.49Å; L461-E465 HydrophobicContact CG-CB 3.89Å; L461-A466 HydrophobicContact CD2-CB 4.09Å
462S69.2Low69.6Low48 Ų4881.8 Ų81.834%0.33645%0.45SS..PPolyproline II helixtrans-66.2153.817963.50000110.6P460 E464 E465 A466P460-S462 PolarHBondContact O-N 2.89Å; S462-E464 PolarHBondContact O-N 2.6Å; S462-E465 PolarHBondContact N-OE2 3.08Å; S462-E465 VanDerWaalsContact N-OE2 3.13Å; S462-E465 PolarHBondContact O-N 3.21Å; S462-E465 WeakPolarHBondContact OG-CB 3.44Å; S462-E465 WeakPolarHBondContact OG-CG 3.41Å; S462-E465 PolarHBondContact OG-N 3.42Å; S462-E465 PolarHBondContact OG-OE2 3.35Å; S462-A466 WeakPolarHBondContact O-CB 3.35Å; S462-A466 PolarHBondContact O-N 3.23Å
463L62Low68.8Low131 Ų13182.5 Ų82.569%0.68645%0.447SS*.Hα-helixtrans-60.4-33.7178.2-76167.6000111.5A466 E467L463-A466 WeakPolarHBondContact O-CB 3.13Å; L463-A466 PolarHBondContact O-N 2.99Å; L463-E467 WeakPolarHBondContact O-CG 3.49Å; L463-E467 PolarHBondContact O-N 3.26Å; L463-E467 VanDerWaalsContact O-N 3.08Å
464E58.1Low68.2Low158 Ų15884.3 Ų84.374%0.73846%0.456SS*.Hα-helixtrans-65.3-45.3177.5-63.1179.3175.500111S462 A466 E467 E468S462-E464 PolarHBondContact O-N 2.6Å; E464-A466 PolarHBondContact O-N 3.33Å; E464-E467 PolarHBondContact O-N 2.7Å; E464-E468 PolarHBondContact O-N 3.13Å
465E61.8Low67.9Low100 Ų10084.1 Ų84.147%0.46745%0.449SS..Hα-helixtrans-71.7-17.2174.7-69.3165.615000113.7L461 S462L461-E465 HydrophobicContact CD1-CB 3.94Å; L461-E465 HydrophobicContact CD2-CB 4.49Å; L461-E465 HydrophobicContact CG-CB 3.89Å; S462-E465 PolarHBondContact N-OE2 3.08Å; S462-E465 VanDerWaalsContact N-OE2 3.13Å; S462-E465 PolarHBondContact O-N 3.21Å; S462-E465 WeakPolarHBondContact OG-CB 3.44Å; S462-E465 WeakPolarHBondContact OG-CG 3.41Å; S462-E465 PolarHBondContact OG-N 3.42Å; S462-E465 PolarHBondContact OG-OE2 3.35Å
466A58.5Low67.7Low10 Ų1088.8 Ų88.88%0.08347%0.465CS..Hα-helixtrans-81.9-34.8176.900000111.8L438 R441 L461 S462 L463 E464L438-A466 HydrophobicContact CD1-CB 3.8Å; R441-A466 PolarHBondContact NH1-O 3.02Å; L461-A466 HydrophobicContact CD2-CB 4.09Å; S462-A466 WeakPolarHBondContact O-CB 3.35Å; S462-A466 PolarHBondContact O-N 3.23Å; L463-A466 WeakPolarHBondContact O-CB 3.13Å; L463-A466 PolarHBondContact O-N 2.99Å; E464-A466 PolarHBondContact O-N 3.33Å
467E54.6Low66.8Low165 Ų16587.3 Ų87.377%0.77146%0.462SS*.Hα-helixtrans-81.8-38-179.3-70.5-176.3175.800112.6R441 L463 E464R441-E467 PolarHBondContact NH1-O 3Å; R441-E467 VanDerWaalsContact NH1-O 3.1Å; L463-E467 WeakPolarHBondContact O-CG 3.49Å; L463-E467 PolarHBondContact O-N 3.26Å; L463-E467 VanDerWaalsContact O-N 3.08Å; E464-E467 PolarHBondContact O-N 2.7Å
468E45.2Very low65.8Low188 Ų18887.3 Ų87.388%0.87945%0.452SS*.  trans-65.70175.1-77.5-168.5169.900114.6R441 E464R441-E468 VanDerWaalsContact CZ-O 3.27Å; R441-E468 PolarHBondContact NE-OXT 2.97Å; R441-E468 VanDerWaalsContact NE-OXT 3.16Å; R441-E468 PolarHBondContact NH1-O 3.43Å; R441-E468 PolarHBondContact NH1-OXT 3.4Å; R441-E468 PolarHBondContact NH2-O 3.31Å; R441-E468 PolarHBondContact NH2-OXT 3.36Å; E464-E468 PolarHBondContact O-N 3.13Å

Retrieved 468 of 468 residues in 494.9 ms (Link to these results)

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