| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44.1 | Very low | 64.7 | Low | 235 Ų | 235 | 117.3 Ų | 117.3 | 100% | 1.158 | 60% | 0.602 | S | S | * | * | 0 | 108 | 0 | -77.4 | 177.8 | -76.8 | 0 | 0 | 108.3 | N3 | M1-N3 PolarHBondContact O-N 3.21Š| |||
| 2 | M | 48.2 | Very low | 65.7 | Low | 140 Ų | 140 | 114.8 Ų | 114.8 | 69% | 0.69 | 59% | 0.591 | S | S | * | * | trans | -69.6 | 114.8 | 171.5 | -152.8 | 165.5 | 72.1 | 0 | 0 | 106.6 | E4 C7 | M2-E4 PolarHBondContact O-N 2.88Å; M2-C7 WeakPolarHBondContact CE-SG 3.49Å | ||
| 3 | N | 58.3 | Low | 66.9 | Low | 115 Ų | 115 | 110.8 Ų | 110.8 | 62% | 0.615 | 57% | 0.567 | S | S | * | * | trans | -45.6 | 129.4 | -175.4 | -106.8 | -13.7 | 0 | 0 | 0 | 110.6 | M1 S5 V6 C7 | M1-N3 PolarHBondContact O-N 3.21Å; N3-S5 PolarHBondContact O-N 3.03Å; N3-V6 HydrophobicContact CB-CG2 4.18Å; N3-V6 WeakPolarHBondContact O-CB 3.26Å; N3-V6 PolarHBondContact O-N 3.42Å; N3-C7 PolarHBondContact O-N 3.3Å | ||
| 4 | E | 62.1 | Low | 68.2 | Low | 175 Ų | 175 | 109 Ų | 109 | 82% | 0.818 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -52.1 | -27.2 | 179.8 | -65.9 | -172.2 | 148.1 | 0 | 0 | 112.9 | M2 C7 S8 | M2-E4 PolarHBondContact O-N 2.88Å; E4-C7 PolarHBondContact O-N 2.86Å; E4-S8 WeakPolarHBondContact O-CB 3.26Å; E4-S8 PolarHBondContact O-N 3.46Å; E4-S8 PolarHBondContact O-OG 2.66Å |
| 5 | S | 67.9 | Low | 69.4 | Low | 68 Ų | 68 | 109.3 Ų | 109.3 | 48% | 0.476 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.8 | -38.6 | 172.9 | 64 | 0 | 0 | 0 | 0 | 113.6 | N3 S8 V9 | N3-S5 PolarHBondContact O-N 3.03Å; S5-S8 WeakPolarHBondContact CA-OG 3.47Å; S5-S8 PolarHBondContact O-OG 2.9Å; S5-V9 WeakPolarHBondContact O-CB 3.27Å; S5-V9 VanDerWaalsContact O-CG2 3.23Å; S5-V9 WeakPolarHBondContact O-CG2 3.38Å; S5-V9 PolarHBondContact O-N 2.78Å; S5-V9 VanDerWaalsContact O-N 3.11Å |
| 6 | V | 68.5 | Low | 70.3 | Confident | 77 Ų | 77 | 105.4 Ų | 105.4 | 47% | 0.467 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.5 | -42.9 | 177 | -178.6 | 0 | 0 | 0 | 0 | 109.9 | N3 S8 V9 F10 | N3-V6 HydrophobicContact CB-CG2 4.18Å; N3-V6 WeakPolarHBondContact O-CB 3.26Å; N3-V6 PolarHBondContact O-N 3.42Å; V6-S8 PolarHBondContact O-N 2.74Å; V6-V9 PolarHBondContact O-N 3.07Å; V6-F10 WeakPolarHBondContact O-CB 3.39Å; V6-F10 PolarHBondContact O-N 3.44Å |
| 7 | C | 64.2 | Low | 71.6 | Confident | 49 Ų | 49 | 101.1 Ų | 101.1 | 33% | 0.331 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | 177.3 | -71.3 | 0 | 0 | 0 | 0 | 112.4 | M2 N3 E4 F10 R11 | M2-C7 WeakPolarHBondContact CE-SG 3.49Å; N3-C7 PolarHBondContact O-N 3.3Å; E4-C7 PolarHBondContact O-N 2.86Å; C7-F10 PolarHBondContact O-N 3.24Å; C7-R11 VanDerWaalsContact O-CB 3.25Å; C7-R11 WeakPolarHBondContact O-CB 3.27Å; C7-R11 PolarHBondContact O-N 3.3Å |
| 8 | S | 69.5 | Low | 72.7 | Confident | 56 Ų | 56 | 102.9 Ų | 102.9 | 39% | 0.392 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.7 | -45.9 | 177.4 | 52.6 | 0 | 0 | 0 | 0 | 112.2 | E4 S5 V6 F10 R11 D12 | E4-S8 WeakPolarHBondContact O-CB 3.26Å; E4-S8 PolarHBondContact O-N 3.46Å; E4-S8 PolarHBondContact O-OG 2.66Å; S5-S8 WeakPolarHBondContact CA-OG 3.47Å; S5-S8 PolarHBondContact O-OG 2.9Å; V6-S8 PolarHBondContact O-N 2.74Å; S8-F10 VanDerWaalsContact C-N 3.32Å; S8-F10 PolarHBondContact O-N 3.13Å; S8-R11 PolarHBondContact O-N 3.39Å; S8-D12 PolarHBondContact O-N 2.89Å |
| 9 | V | 73.2 | Confident | 73.8 | Confident | 81 Ų | 81 | 100.5 Ų | 100.5 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60 | -42.6 | 175.5 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | S5 V6 K13 | S5-V9 WeakPolarHBondContact O-CB 3.27Å; S5-V9 VanDerWaalsContact O-CG2 3.23Å; S5-V9 WeakPolarHBondContact O-CG2 3.38Å; S5-V9 PolarHBondContact O-N 2.78Å; S5-V9 VanDerWaalsContact O-N 3.11Å; V6-V9 PolarHBondContact O-N 3.07Å; V9-K13 HydrophobicContact CG1-CD 4.44Å; V9-K13 WeakPolarHBondContact O-CB 3.39Å; V9-K13 VanDerWaalsContact O-CG 3.31Å; V9-K13 WeakPolarHBondContact O-CG 3.26Å; V9-K13 PolarHBondContact O-N 2.89Å |
| 10 | F | 76.3 | Confident | 74.9 | Confident | 126 Ų | 126 | 102 Ų | 102 | 55% | 0.553 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.2 | -43.5 | 177 | -173 | -98.3 | 0 | 0 | 0 | 111.8 | V6 C7 S8 D12 K13 L14 | V6-F10 WeakPolarHBondContact O-CB 3.39Å; V6-F10 PolarHBondContact O-N 3.44Å; C7-F10 PolarHBondContact O-N 3.24Å; S8-F10 VanDerWaalsContact C-N 3.32Å; S8-F10 PolarHBondContact O-N 3.13Å; F10-D12 PolarHBondContact O-N 3.29Å; F10-K13 WeakPolarHBondContact O-CB 3.39Å; F10-K13 PolarHBondContact O-N 3.38Å; F10-L14 PolarHBondContact O-N 3.45Å |
| 11 | R | 78.9 | Confident | 75.9 | Confident | 168 Ų | 168 | 97.1 Ų | 97.1 | 63% | 0.634 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.3 | -44.3 | 176.6 | -173.2 | -175.6 | -65 | -153.4 | 0.9 | 111.7 | C7 S8 K13 L14 K15 | C7-R11 VanDerWaalsContact O-CB 3.25Å; C7-R11 WeakPolarHBondContact O-CB 3.27Å; C7-R11 PolarHBondContact O-N 3.3Å; S8-R11 PolarHBondContact O-N 3.39Å; R11-K13 VanDerWaalsContact C-N 3.32Å; R11-K13 PolarHBondContact O-N 3.13Å; R11-L14 PolarHBondContact O-N 3.09Å; R11-L14 VanDerWaalsContact O-N 3.17Å; R11-K15 WeakPolarHBondContact O-CG 3.35Å; R11-K15 PolarHBondContact O-N 2.8Å |
| 12 | D | 77.2 | Confident | 78.4 | Confident | 87 Ų | 87 | 86 Ų | 86 | 47% | 0.465 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -68.8 | -32.8 | 178.6 | -72.9 | -19.5 | 0 | 0 | 0 | 112.5 | S8 F10 K15 | S8-D12 PolarHBondContact O-N 2.89Å; F10-D12 PolarHBondContact O-N 3.29Å; D12-K15 IonicContact OD1-NZ 3.72Å; D12-K15 PolarHBondContact OD1-NZ 2.82Å |
| 13 | K | 81.1 | Confident | 80.7 | Confident | 64 Ų | 64 | 83.6 Ų | 83.6 | 28% | 0.278 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 168.7 | -77.5 | -176.5 | -175.7 | -159.9 | 0 | 111.9 | V9 F10 R11 R16 F75 | V9-K13 HydrophobicContact CG1-CD 4.44Å; V9-K13 WeakPolarHBondContact O-CB 3.39Å; V9-K13 VanDerWaalsContact O-CG 3.31Å; V9-K13 WeakPolarHBondContact O-CG 3.26Å; V9-K13 PolarHBondContact O-N 2.89Å; F10-K13 WeakPolarHBondContact O-CB 3.39Å; F10-K13 PolarHBondContact O-N 3.38Å; R11-K13 VanDerWaalsContact C-N 3.32Å; R11-K13 PolarHBondContact O-N 3.13Å; K13-R16 VanDerWaalsContact O-CB 3.22Å; K13-R16 WeakPolarHBondContact O-CB 3.29Å; K13-R16 WeakPolarHBondContact O-CG 3.48Å; K13-R16 PolarHBondContact O-N 3.14Å; K13-R16 VanDerWaalsContact O-N 3.15Å; K13-F75 HydrophobicContact CB-CD1 3.99Å; K13-F75 HydrophobicContact CB-CE1 4.22Å; K13-F75 HydrophobicContact CD-CD1 4.5Å; K13-F75 WeakPolarHBondContact CE-O 3.43Å; K13-F75 PolarHBondContact NZ-O 3.46Å |
| 14 | L | 85.2 | Confident | 82.6 | Confident | 85 Ų | 85 | 80 Ų | 80 | 45% | 0.445 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67.6 | -38.2 | 179.4 | -165.6 | 70.4 | 0 | 0 | 0 | 112 | F10 R11 R16 L17 | F10-L14 PolarHBondContact O-N 3.45Å; R11-L14 PolarHBondContact O-N 3.09Å; R11-L14 VanDerWaalsContact O-N 3.17Å; L14-R16 PolarHBondContact O-N 3.23Å; L14-R16 VanDerWaalsContact O-N 3.08Å; L14-L17 HydrophobicContact CD1-CD1 4.23Å; L14-L17 WeakPolarHBondContact O-CB 3.41Å; L14-L17 PolarHBondContact O-N 3Å |
| 15 | K | 85.6 | Confident | 84.3 | Confident | 113 Ų | 113 | 72.3 Ų | 72.3 | 49% | 0.491 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -55.1 | -26.7 | 172.1 | -73.6 | 175.3 | -171.1 | 160 | 0 | 112.6 | R11 D12 L17 L18 | R11-K15 WeakPolarHBondContact O-CG 3.35Å; R11-K15 PolarHBondContact O-N 2.8Å; D12-K15 IonicContact OD1-NZ 3.72Å; D12-K15 PolarHBondContact OD1-NZ 2.82Å; K15-L17 PolarHBondContact O-N 2.83Å; K15-L18 WeakPolarHBondContact O-CB 3.41Å; K15-L18 PolarHBondContact O-N 3.22Å; K15-L18 VanDerWaalsContact O-N 3.09Å |
| 16 | R | 84.8 | Confident | 85.7 | Confident | 47 Ų | 47 | 71.1 Ų | 71.1 | 18% | 0.177 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -60.6 | -35.6 | 176.1 | -61.4 | -178.8 | -178.3 | 176.9 | -2.6 | 112.1 | K13 L14 L18 H19 P22 V74 N131 | K13-R16 VanDerWaalsContact O-CB 3.22Å; K13-R16 WeakPolarHBondContact O-CB 3.29Å; K13-R16 WeakPolarHBondContact O-CG 3.48Å; K13-R16 PolarHBondContact O-N 3.14Å; K13-R16 VanDerWaalsContact O-N 3.15Å; L14-R16 PolarHBondContact O-N 3.23Å; L14-R16 VanDerWaalsContact O-N 3.08Å; R16-L18 PolarHBondContact O-N 2.98Å; R16-H19 WeakPolarHBondContact O-CB 3.37Å; R16-H19 PolarHBondContact O-N 3.21Å; R16-P22 WeakPolarHBondContact O-CG 3.44Å; R16-V74 HydrophobicContact CB-CG1 4.34Å; R16-V74 PolarHBondContact NH1-O 3.24Å; R16-N131 VanDerWaalsContact CA-ND2 3.34Å; R16-N131 WeakPolarHBondContact CA-ND2 3.34Å; R16-N131 HydrophobicContact CB-CB 4.43Å; R16-N131 PolarHBondContact O-ND2 3.46Å |
| 17 | L | 91.5 | Very high | 87.1 | Confident | 33 Ų | 33 | 73.4 Ų | 73.4 | 17% | 0.173 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -70.1 | -15.7 | 178.9 | -65.3 | -173.9 | 0 | 0 | 0 | 113.4 | L14 K15 H19 P22 I23 I26 V74 F75 | L14-L17 HydrophobicContact CD1-CD1 4.23Å; L14-L17 WeakPolarHBondContact O-CB 3.41Å; L14-L17 PolarHBondContact O-N 3Å; K15-L17 PolarHBondContact O-N 2.83Å; L17-H19 VanDerWaalsContact C-N 3.29Å; L17-P22 HydrophobicContact CD2-CB 4Å; L17-I23 VanDerWaalsContact O-CG1 3.27Å; L17-I23 WeakPolarHBondContact O-CG1 3.46Å; L17-I26 HydrophobicContact CD2-CD1 4.09Å; L17-V74 HydrophobicContact CD2-CG1 3.93Å; L17-F75 HydrophobicContact CD1-CE1 4.42Å; L17-F75 HydrophobicContact CD1-CE2 4.29Å; L17-F75 HydrophobicContact CD1-CZ 3.6Å; L17-F75 HydrophobicContact CG-CE1 4.49Å; L17-F75 HydrophobicContact CG-CZ 4.07Å |
| 18 | L | 92.1 | Very high | 88.7 | Confident | 133 Ų | 133 | 72.7 Ų | 72.7 | 70% | 0.696 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -84.6 | -3.5 | 177.6 | -58.3 | 178.1 | 0 | 0 | 0 | 113.1 | K15 R16 I23 | K15-L18 WeakPolarHBondContact O-CB 3.41Å; K15-L18 PolarHBondContact O-N 3.22Å; K15-L18 VanDerWaalsContact O-N 3.09Å; R16-L18 PolarHBondContact O-N 2.98Å; L18-I23 WeakPolarHBondContact O-CD1 3.35Å |
| 19 | H | 93.6 | Very high | 90.1 | Very high | 57 Ų | 57 | 70.8 Ų | 70.8 | 26% | 0.264 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -75.1 | 147.9 | 172.1 | -179.4 | -97.9 | 0 | 0 | 0 | 110.5 | R16 L17 G21 P22 I23 P128 N131 | R16-H19 WeakPolarHBondContact O-CB 3.37Å; R16-H19 PolarHBondContact O-N 3.21Å; L17-H19 VanDerWaalsContact C-N 3.29Å; H19-G21 PolarHBondContact ND1-N 3.49Å; H19-G21 PolarHBondContact O-N 3.28Å; H19-G21 VanDerWaalsContact O-N 3.07Å; H19-P22 VanDerWaalsContact O-CD 3.26Å; H19-P22 WeakPolarHBondContact O-CD 3.18Å; H19-I23 WeakPolarHBondContact O-CG1 3.49Å; H19-I23 PolarHBondContact O-N 3.39Å; H19-I23 VanDerWaalsContact O-N 3.15Å; H19-P128 PolarHBondContact ND1-O 3.1Å; H19-N131 HydrophobicContact CB-CB 3.84Å; H19-N131 VanDerWaalsContact CB-CG 3.45Å; H19-N131 WeakPolarHBondContact CB-ND2 3.42Å |
| 20 | W | 95.3 | Very high | 91.3 | Very high | 131 Ų | 131 | 70.9 Ų | 70.9 | 50% | 0.496 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -54 | -35.5 | -175.3 | 69.7 | -96.2 | 0 | 0 | 0 | 113 | S24 P128 W129 | W20-S24 VanDerWaalsContact O-CB 3.26Å; W20-S24 WeakPolarHBondContact O-CB 3.41Å; W20-S24 PolarHBondContact O-N 3.04Å; W20-S24 PolarHBondContact O-OG 3.14Å; W20-P128 HydrophobicContact CH2-CB 4.17Å; W20-P128 HydrophobicContact CH2-CG 4.43Å; W20-P128 HydrophobicContact CZ2-CB 3.74Å; W20-P128 HydrophobicContact CZ2-CG 4.35Å; W20-W129 HydrophobicContact CH2-CH2 4.41Å; W20-W129 HydrophobicContact CH2-CZ2 4.4Å; W20-W129 HydrophobicContact CZ3-CD2 4.5Å; W20-W129 HydrophobicContact CZ3-CE3 4.07Å; W20-W129 AromaticContact CZ3-CH2 3.83Å; W20-W129 HydrophobicContact CZ3-CH2 3.83Å; W20-W129 HydrophobicContact CZ3-CZ2 4.26Å; W20-W129 AromaticContact CZ3-CZ3 3.73Å; W20-W129 HydrophobicContact CZ3-CZ3 3.73Å |
| 21 | G | 96.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.4 | -56 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | H19 S24 T25 P128 W129 | H19-G21 PolarHBondContact ND1-N 3.49Å; H19-G21 PolarHBondContact O-N 3.28Å; H19-G21 VanDerWaalsContact O-N 3.07Å; G21-S24 PolarHBondContact O-N 2.89Å; G21-T25 WeakPolarHBondContact O-CB 3.42Å; G21-T25 PolarHBondContact O-N 3.32Å; G21-T25 PolarHBondContact O-OG1 3.08Å; G21-P128 WeakPolarHBondContact CA-O 3.31Å; G21-W129 CarbonylContact C-O 3.6Å |
| 22 | P | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.1 | -39.7 | 173.5 | -31.3 | 38.2 | 0 | 0 | 0 | 116.1 | R16 L17 H19 S24 T25 I26 Y70 N131 | R16-P22 WeakPolarHBondContact O-CG 3.44Å; L17-P22 HydrophobicContact CD2-CB 4Å; H19-P22 VanDerWaalsContact O-CD 3.26Å; H19-P22 WeakPolarHBondContact O-CD 3.18Å; P22-S24 VanDerWaalsContact C-N 3.33Å; P22-S24 PolarHBondContact O-N 3.47Å; P22-T25 PolarHBondContact O-N 3.41Å; P22-I26 WeakPolarHBondContact O-CB 3.36Å; P22-I26 VanDerWaalsContact O-CG1 3.3Å; P22-I26 WeakPolarHBondContact O-CG1 3.23Å; P22-I26 PolarHBondContact O-N 3.42Å; P22-Y70 WeakPolarHBondContact CA-OH 3.2Å; P22-Y70 VanDerWaalsContact CB-OH 3.23Å; P22-Y70 WeakPolarHBondContact CB-OH 3.44Å; P22-N131 HydrophobicContact CG-CB 3.7Å |
| 23 | I | 97.2 | Very high | 94.3 | Very high | 91 Ų | 91 | 55.9 Ų | 55.9 | 47% | 0.467 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -56.6 | -50.8 | 174.4 | -65.8 | 174.2 | 0 | 0 | 0 | 110 | L17 L18 H19 T25 W27 | L17-I23 VanDerWaalsContact O-CG1 3.27Å; L17-I23 WeakPolarHBondContact O-CG1 3.46Å; L18-I23 WeakPolarHBondContact O-CD1 3.35Å; H19-I23 WeakPolarHBondContact O-CG1 3.49Å; H19-I23 PolarHBondContact O-N 3.39Å; H19-I23 VanDerWaalsContact O-N 3.15Å; I23-T25 PolarHBondContact O-N 2.76Å; I23-W27 WeakPolarHBondContact O-CB 3.41Å; I23-W27 PolarHBondContact O-N 3.24Å |
| 24 | S | 97.3 | Very high | 95 | Very high | 40 Ų | 40 | 57.9 Ų | 57.9 | 28% | 0.28 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | -178.7 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | W20 G21 P22 W27 I28 | W20-S24 VanDerWaalsContact O-CB 3.26Å; W20-S24 WeakPolarHBondContact O-CB 3.41Å; W20-S24 PolarHBondContact O-N 3.04Å; W20-S24 PolarHBondContact O-OG 3.14Å; G21-S24 PolarHBondContact O-N 2.89Å; P22-S24 VanDerWaalsContact C-N 3.33Å; P22-S24 PolarHBondContact O-N 3.47Å; S24-W27 PolarHBondContact O-N 2.76Å; S24-I28 VanDerWaalsContact O-CG1 3.22Å; S24-I28 WeakPolarHBondContact O-CG1 3.35Å; S24-I28 PolarHBondContact O-N 2.77Å |
| 25 | T | 97.8 | Very high | 95.6 | Very high | 12 Ų | 12 | 54.4 Ų | 54.4 | 7% | 0.074 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.1 | -47.1 | -178.6 | -52.3 | 0 | 0 | 0 | 0 | 111.2 | G21 P22 I23 I28 I29 Y70 W129 F145 | G21-T25 WeakPolarHBondContact O-CB 3.42Å; G21-T25 PolarHBondContact O-N 3.32Å; G21-T25 PolarHBondContact O-OG1 3.08Å; P22-T25 PolarHBondContact O-N 3.41Å; I23-T25 PolarHBondContact O-N 2.76Å; T25-I28 PolarHBondContact O-N 3.14Å; T25-I29 HydrophobicContact CG2-CD1 3.89Å; T25-I29 WeakPolarHBondContact O-CD1 3.13Å; T25-I29 VanDerWaalsContact O-CG1 3.22Å; T25-I29 WeakPolarHBondContact O-CG1 3.5Å; T25-I29 PolarHBondContact O-N 2.9Å; T25-Y70 HydrophobicContact CG2-CD2 3.8Å; T25-Y70 HydrophobicContact CG2-CE2 3.38Å; T25-W129 PolarHBondContact OG1-O 3.13Å; T25-F145 HydrophobicContact CG2-CE2 4.42Å; T25-F145 HydrophobicContact CG2-CZ 4.03Å |
| 26 | I | 97.7 | Very high | 96.1 | Very high | 43 Ų | 43 | 49 Ų | 49 | 22% | 0.221 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.3 | -46.2 | 177.6 | -68.3 | 170.7 | 0 | 0 | 0 | 109.8 | L17 P22 I28 I29 F30 Y70 | L17-I26 HydrophobicContact CD2-CD1 4.09Å; P22-I26 WeakPolarHBondContact O-CB 3.36Å; P22-I26 VanDerWaalsContact O-CG1 3.3Å; P22-I26 WeakPolarHBondContact O-CG1 3.23Å; P22-I26 PolarHBondContact O-N 3.42Å; I26-I28 PolarHBondContact O-N 2.98Å; I26-I29 PolarHBondContact O-N 2.91Å; I26-F30 HydrophobicContact CG2-CD2 3.7Å; I26-F30 HydrophobicContact CG2-CE2 3.81Å; I26-F30 WeakPolarHBondContact O-CD2 3.27Å; I26-F30 PolarHBondContact O-N 2.7Å; I26-Y70 HydrophobicContact CD1-CE1 4.15Å; I26-Y70 HydrophobicContact CG1-CD1 4.37Å; I26-Y70 HydrophobicContact CG1-CE1 3.78Å |
| 27 | W | 98.1 | Very high | 96.6 | Very high | 126 Ų | 126 | 48.7 Ų | 48.7 | 48% | 0.477 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57.4 | -46.8 | 177.3 | 173.3 | 77.4 | 0 | 0 | 0 | 112.1 | I23 S24 I29 F30 F31 F195 L199 | I23-W27 WeakPolarHBondContact O-CB 3.41Å; I23-W27 PolarHBondContact O-N 3.24Å; S24-W27 PolarHBondContact O-N 2.76Å; W27-I29 PolarHBondContact O-N 3.23Å; W27-F30 PolarHBondContact O-N 3.29Å; W27-F31 HydrophobicContact CZ2-CB 4.49Å; W27-F31 HydrophobicContact CZ2-CD2 4.23Å; W27-F31 HydrophobicContact CZ2-CG 4.19Å; W27-F31 WeakPolarHBondContact O-CB 3Å; W27-F31 PolarHBondContact O-N 3.05Å; W27-F195 AromaticContact CH2-CE1 3.68Å; W27-F195 HydrophobicContact CH2-CE1 3.68Å; W27-F195 AromaticContact CH2-CZ 3.86Å; W27-F195 HydrophobicContact CH2-CZ 3.86Å; W27-F195 HydrophobicContact CZ2-CE1 4.05Å; W27-L199 HydrophobicContact CH2-CD1 3.85Å; W27-L199 HydrophobicContact CZ3-CD1 4.09Å |
| 28 | I | 98.2 | Very high | 96.7 | Very high | 34 Ų | 34 | 52.2 Ų | 52.2 | 17% | 0.174 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.5 | -46.1 | 177.5 | -69.1 | 166.9 | 0 | 0 | 0 | 111.3 | S24 T25 I26 F30 F31 I32 V203 | S24-I28 VanDerWaalsContact O-CG1 3.22Å; S24-I28 WeakPolarHBondContact O-CG1 3.35Å; S24-I28 PolarHBondContact O-N 2.77Å; T25-I28 PolarHBondContact O-N 3.14Å; I26-I28 PolarHBondContact O-N 2.98Å; I28-F30 PolarHBondContact O-N 3.14Å; I28-F31 PolarHBondContact O-N 2.85Å; I28-I32 HydrophobicContact CG2-CD1 3.56Å; I28-I32 HydrophobicContact CG2-CG1 4.32Å; I28-I32 WeakPolarHBondContact O-CB 3.24Å; I28-I32 WeakPolarHBondContact O-CG1 3.4Å; I28-I32 PolarHBondContact O-N 3.17Å; I28-V203 HydrophobicContact CG2-CG2 3.86Å |
| 29 | I | 98.1 | Very high | 96.7 | Very high | 16 Ų | 16 | 45.9 Ų | 45.9 | 8% | 0.082 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.7 | -50.7 | 179.5 | -69 | 163 | 0 | 0 | 0 | 110.2 | T25 I26 W27 T33 F63 I66 Y70 F145 | T25-I29 HydrophobicContact CG2-CD1 3.89Å; T25-I29 WeakPolarHBondContact O-CD1 3.13Å; T25-I29 VanDerWaalsContact O-CG1 3.22Å; T25-I29 WeakPolarHBondContact O-CG1 3.5Å; T25-I29 PolarHBondContact O-N 2.9Å; I26-I29 PolarHBondContact O-N 2.91Å; W27-I29 PolarHBondContact O-N 3.23Å; I29-T33 VanDerWaalsContact O-CB 3.23Å; I29-T33 WeakPolarHBondContact O-CB 3.47Å; I29-T33 PolarHBondContact O-N 3.06Å; I29-T33 VanDerWaalsContact O-N 3.15Å; I29-T33 PolarHBondContact O-OG1 2.8Å; I29-F63 HydrophobicContact CG2-CD2 3.81Å; I29-F63 HydrophobicContact CG2-CE2 3.89Å; I29-I66 HydrophobicContact CD1-CG2 3.71Å; I29-I66 HydrophobicContact CG1-CG2 3.83Å; I29-I66 HydrophobicContact CG2-CG2 4.2Å; I29-Y70 HydrophobicContact CD1-CG 4.4Å; I29-F145 HydrophobicContact CD1-CE2 4.39Å |
| 30 | F | 98.4 | Very high | 96.7 | Very high | 82 Ų | 82 | 43.3 Ų | 43.3 | 36% | 0.36 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -67.4 | -44.6 | -179.9 | -85 | -91.2 | 0 | 0 | 0 | 111.7 | I26 W27 I28 T33 L34 F63 L67 | I26-F30 HydrophobicContact CG2-CD2 3.7Å; I26-F30 HydrophobicContact CG2-CE2 3.81Å; I26-F30 WeakPolarHBondContact O-CD2 3.27Å; I26-F30 PolarHBondContact O-N 2.7Å; W27-F30 PolarHBondContact O-N 3.29Å; I28-F30 PolarHBondContact O-N 3.14Å; F30-T33 PolarHBondContact O-N 2.92Å; F30-L34 HydrophobicContact CD1-CD1 4.46Å; F30-L34 VanDerWaalsContact O-CB 3.29Å; F30-L34 WeakPolarHBondContact O-CB 3.43Å; F30-L34 WeakPolarHBondContact O-CG 3.28Å; F30-L34 PolarHBondContact O-N 3.23Å; F30-F63 HydrophobicContact CD1-CE2 4.2Å; F30-F63 HydrophobicContact CD1-CZ 4.27Å; F30-F63 HydrophobicContact CD2-CE2 4.41Å; F30-F63 HydrophobicContact CE1-CE2 4.08Å; F30-F63 AromaticContact CE1-CZ 3.73Å; F30-F63 HydrophobicContact CE1-CZ 3.73Å; F30-F63 HydrophobicContact CE2-CE2 4.3Å; F30-F63 HydrophobicContact CE2-CZ 4.36Å; F30-F63 HydrophobicContact CG-CE2 4.38Å; F30-F63 HydrophobicContact CZ-CE2 4.14Å; F30-F63 AromaticContact CZ-CZ 3.79Å; F30-F63 HydrophobicContact CZ-CZ 3.79Å; F30-L67 HydrophobicContact CE2-CD1 4.25Å; F30-L67 HydrophobicContact CE2-CD2 4.43Å; F30-L67 HydrophobicContact CZ-CD2 4.27Å |
| 31 | F | 98.4 | Very high | 96.4 | Very high | 48 Ų | 48 | 41.8 Ų | 41.8 | 21% | 0.211 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.5 | -49.8 | -177.2 | -174.8 | -94.8 | 0 | 0 | 0 | 112.2 | W27 I28 T35 I192 F195 A196 L199 | W27-F31 HydrophobicContact CZ2-CB 4.49Å; W27-F31 HydrophobicContact CZ2-CD2 4.23Å; W27-F31 HydrophobicContact CZ2-CG 4.19Å; W27-F31 WeakPolarHBondContact O-CB 3Å; W27-F31 PolarHBondContact O-N 3.05Å; I28-F31 PolarHBondContact O-N 2.85Å; F31-T35 VanDerWaalsContact O-CB 3.32Å; F31-T35 WeakPolarHBondContact O-CB 3.46Å; F31-T35 PolarHBondContact O-N 2.72Å; F31-T35 VanDerWaalsContact O-N 3.1Å; F31-T35 PolarHBondContact O-OG1 2.9Å; F31-I192 HydrophobicContact CZ-CG2 4.12Å; F31-F195 HydrophobicContact CD1-CD1 4.42Å; F31-F195 AromaticContact CE1-CD1 3.45Å; F31-F195 HydrophobicContact CE1-CD1 3.45Å; F31-F195 VanDerWaalsContact CE1-CD1 3.45Å; F31-F195 AromaticContact CE1-CE1 3.92Å; F31-F195 HydrophobicContact CE1-CE1 3.92Å; F31-F195 HydrophobicContact CE1-CG 4.48Å; F31-F195 AromaticContact CZ-CD1 3.54Å; F31-F195 HydrophobicContact CZ-CD1 3.54Å; F31-F195 HydrophobicContact CZ-CE1 4.07Å; F31-A196 HydrophobicContact CD1-CB 4.32Å; F31-A196 HydrophobicContact CE1-CB 3.78Å; F31-L199 HydrophobicContact CD1-CD1 3.69Å; F31-L199 HydrophobicContact CE1-CD1 4.02Å |
| 32 | I | 98.4 | Very high | 96 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.1 | -46.3 | 177.7 | -66.7 | 170.8 | 0 | 0 | 0 | 110.2 | I28 S36 S156 L199 A200 | I28-I32 HydrophobicContact CG2-CD1 3.56Å; I28-I32 HydrophobicContact CG2-CG1 4.32Å; I28-I32 WeakPolarHBondContact O-CB 3.24Å; I28-I32 WeakPolarHBondContact O-CG1 3.4Å; I28-I32 PolarHBondContact O-N 3.17Å; I32-S36 VanDerWaalsContact O-CB 3.27Å; I32-S36 WeakPolarHBondContact O-CB 3.28Å; I32-S36 PolarHBondContact O-N 3.35Å; I32-S36 PolarHBondContact O-OG 2.81Å; I32-S156 WeakPolarHBondContact CG2-OG 3.43Å; I32-L199 HydrophobicContact CD1-CB 3.99Å; I32-L199 HydrophobicContact CG1-CB 4.13Å; I32-A200 HydrophobicContact CD1-CB 4.18Å; I32-A200 HydrophobicContact CG2-CB 4.16Å |
| 33 | T | 97.8 | Very high | 95.4 | Very high | 12 Ų | 12 | 46.8 Ų | 46.8 | 7% | 0.074 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.7 | -52.2 | -176.9 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | I29 F30 T35 S36 L37 I59 F63 | I29-T33 VanDerWaalsContact O-CB 3.23Å; I29-T33 WeakPolarHBondContact O-CB 3.47Å; I29-T33 PolarHBondContact O-N 3.06Å; I29-T33 VanDerWaalsContact O-N 3.15Å; I29-T33 PolarHBondContact O-OG1 2.8Å; F30-T33 PolarHBondContact O-N 2.92Å; T33-T35 PolarHBondContact O-N 3.34Å; T33-S36 PolarHBondContact O-N 3.41Å; T33-L37 HydrophobicContact CG2-CD1 3.9Å; T33-L37 HydrophobicContact CG2-CG 4.34Å; T33-L37 WeakPolarHBondContact O-CB 3.41Å; T33-L37 WeakPolarHBondContact O-CG 3.46Å; T33-L37 PolarHBondContact O-N 3.43Å; T33-I59 HydrophobicContact CG2-CG2 4.03Å; T33-F63 HydrophobicContact CG2-CB 3.69Å; T33-F63 HydrophobicContact CG2-CD2 3.68Å; T33-F63 HydrophobicContact CG2-CE2 4.47Å; T33-F63 HydrophobicContact CG2-CG 3.74Å; T33-F63 WeakPolarHBondContact OG1-CD2 3.45Å |
| 34 | L | 97.2 | Very high | 94.9 | Very high | 107 Ų | 107 | 43 Ų | 43 | 56% | 0.56 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -62.7 | -43.4 | -177.6 | -68.2 | 175 | 0 | 0 | 0 | 111.2 | F30 S36 L37 Y38 | F30-L34 HydrophobicContact CD1-CD1 4.46Å; F30-L34 VanDerWaalsContact O-CB 3.29Å; F30-L34 WeakPolarHBondContact O-CB 3.43Å; F30-L34 WeakPolarHBondContact O-CG 3.28Å; F30-L34 PolarHBondContact O-N 3.23Å; L34-S36 VanDerWaalsContact C-N 3.34Å; L34-S36 PolarHBondContact O-N 3.15Å; L34-L37 PolarHBondContact O-N 3.37Å; L34-Y38 VanDerWaalsContact O-CB 3.29Å; L34-Y38 WeakPolarHBondContact O-CB 3.45Å; L34-Y38 PolarHBondContact O-N 3.27Å |
| 35 | T | 97 | Very high | 94.5 | Very high | 12 Ų | 12 | 43.2 Ų | 43.2 | 7% | 0.074 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.3 | -39 | 177.1 | -50.9 | 0 | 0 | 0 | 0 | 111.8 | F31 T33 S39 L160 I192 A196 | F31-T35 VanDerWaalsContact O-CB 3.32Å; F31-T35 WeakPolarHBondContact O-CB 3.46Å; F31-T35 PolarHBondContact O-N 2.72Å; F31-T35 VanDerWaalsContact O-N 3.1Å; F31-T35 PolarHBondContact O-OG1 2.9Å; T33-T35 PolarHBondContact O-N 3.34Å; T35-S39 VanDerWaalsContact O-CB 3.29Å; T35-S39 WeakPolarHBondContact O-CB 3.31Å; T35-S39 PolarHBondContact O-N 3.11Å; T35-S39 PolarHBondContact O-OG 3.18Å; T35-L160 HydrophobicContact CG2-CD2 3.84Å; T35-I192 HydrophobicContact CG2-CG2 3.83Å; T35-A196 HydrophobicContact CG2-CB 3.65Å |
| 36 | S | 97 | Very high | 94 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.3 | -39.9 | 178.9 | -54.7 | 0 | 0 | 0 | 0 | 112.3 | I32 T33 L34 S39 T40 S156 | I32-S36 VanDerWaalsContact O-CB 3.27Å; I32-S36 WeakPolarHBondContact O-CB 3.28Å; I32-S36 PolarHBondContact O-N 3.35Å; I32-S36 PolarHBondContact O-OG 2.81Å; T33-S36 PolarHBondContact O-N 3.41Å; L34-S36 VanDerWaalsContact C-N 3.34Å; L34-S36 PolarHBondContact O-N 3.15Å; S36-S39 PolarHBondContact O-N 3.17Å; S36-T40 WeakPolarHBondContact O-CB 3.48Å; S36-T40 PolarHBondContact O-N 3.06Å; S36-T40 PolarHBondContact O-OG1 2.87Å; S36-S156 WeakPolarHBondContact CB-OG 3.42Å; S36-S156 WeakPolarHBondContact OG-CB 3.4Å; S36-S156 PolarHBondContact OG-OG 3.28Å |
| 37 | L | 95.4 | Very high | 93.7 | Very high | 40 Ų | 40 | 48.6 Ų | 48.6 | 21% | 0.209 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.8 | -46.4 | 174.1 | -72 | 175 | 0 | 0 | 0 | 110.7 | T33 L34 S39 T40 L41 I59 | T33-L37 HydrophobicContact CG2-CD1 3.9Å; T33-L37 HydrophobicContact CG2-CG 4.34Å; T33-L37 WeakPolarHBondContact O-CB 3.41Å; T33-L37 WeakPolarHBondContact O-CG 3.46Å; T33-L37 PolarHBondContact O-N 3.43Å; L34-L37 PolarHBondContact O-N 3.37Å; L37-S39 VanDerWaalsContact C-N 3.34Å; L37-S39 PolarHBondContact O-N 3.28Å; L37-T40 PolarHBondContact O-N 2.99Å; L37-L41 VanDerWaalsContact O-CG 3.28Å; L37-L41 WeakPolarHBondContact O-CG 3.41Å; L37-L41 PolarHBondContact O-N 3.47Å; L37-I59 HydrophobicContact CD2-CB 4.11Å; L37-I59 HydrophobicContact CD2-CG2 3.7Å; L37-I59 HydrophobicContact CG-CG2 3.79Å |
| 38 | Y | 93.7 | Very high | 93.3 | Very high | 106 Ų | 106 | 47 Ų | 47 | 42% | 0.416 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -55.5 | -49 | 174.4 | 175.5 | -92.3 | 0 | 0 | 0 | 111.6 | L34 T40 L41 H42 D189 | L34-Y38 VanDerWaalsContact O-CB 3.29Å; L34-Y38 WeakPolarHBondContact O-CB 3.45Å; L34-Y38 PolarHBondContact O-N 3.27Å; Y38-T40 PolarHBondContact O-N 3.15Å; Y38-L41 PolarHBondContact O-N 3.49Å; Y38-H42 AromaticContact CD2-CE1 3.61Å; Y38-H42 AromaticContact CD2-ND1 3.99Å; Y38-H42 AromaticContact CE2-CE1 3.09Å; Y38-H42 WeakPolarHBondContact CE2-CE1 3.36Å; Y38-H42 AromaticContact CE2-ND1 3.8Å; Y38-H42 AromaticContact CE2-NE2 3.56Å; Y38-H42 AromaticContact CZ-CD2 3.95Å; Y38-H42 AromaticContact CZ-CE1 3.33Å; Y38-H42 AromaticContact CZ-ND1 3.82Å; Y38-H42 AromaticContact CZ-NE2 3.41Å; Y38-H42 PolarHBondContact O-N 3.09Å; Y38-H42 PolarHBondContact O-ND1 3.43Å; Y38-H42 PolarHBondContact OH-NE2 2.95Å; Y38-D189 VanDerWaalsContact CE1-OD1 3.23Å; Y38-D189 WeakPolarHBondContact CE1-OD1 3.28Å |
| 39 | S | 92.4 | Very high | 93 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.007 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.3 | -46.4 | 177.2 | -64.9 | 0 | 0 | 0 | 0 | 111.7 | T35 S36 L37 L41 H42 V43 | T35-S39 VanDerWaalsContact O-CB 3.29Å; T35-S39 WeakPolarHBondContact O-CB 3.31Å; T35-S39 PolarHBondContact O-N 3.11Å; T35-S39 PolarHBondContact O-OG 3.18Å; S36-S39 PolarHBondContact O-N 3.17Å; L37-S39 VanDerWaalsContact C-N 3.34Å; L37-S39 PolarHBondContact O-N 3.28Å; S39-L41 VanDerWaalsContact C-N 3.35Å; S39-L41 PolarHBondContact O-N 2.95Å; S39-H42 PolarHBondContact O-N 3.29Å; S39-V43 WeakPolarHBondContact O-CB 3.35Å; S39-V43 VanDerWaalsContact O-CG2 3.22Å; S39-V43 WeakPolarHBondContact O-CG2 3.46Å; S39-V43 PolarHBondContact O-N 3.07Å |
| 40 | T | 91.8 | Very high | 92.8 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 179.8 | -52.1 | 0 | 0 | 0 | 0 | 111.2 | S36 L37 Y38 H42 A44 G52 L55 S56 A159 | S36-T40 WeakPolarHBondContact O-CB 3.48Å; S36-T40 PolarHBondContact O-N 3.06Å; S36-T40 PolarHBondContact O-OG1 2.87Å; L37-T40 PolarHBondContact O-N 2.99Å; Y38-T40 PolarHBondContact O-N 3.15Å; T40-H42 VanDerWaalsContact C-N 3.25Å; T40-H42 PolarHBondContact O-N 3.25Å; T40-A44 CarbonylContact O-C 3.02Å; T40-A44 WeakPolarHBondContact O-CA 3.28Å; T40-A44 PolarHBondContact O-N 3Å; T40-G52 WeakPolarHBondContact CG2-O 3.43Å; T40-L55 HydrophobicContact CG2-CB 4.2Å; T40-S56 WeakPolarHBondContact CG2-OG 3.31Å; T40-A159 WeakPolarHBondContact OG1-CB 3.42Å |
| 41 | L | 90.7 | Very high | 92.5 | Very high | 98 Ų | 98 | 53.6 Ų | 53.6 | 51% | 0.513 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61 | -31.3 | 176.9 | -71.1 | 170.7 | 0 | 0 | 0 | 113.2 | L37 Y38 S39 P45 P46 | L37-L41 VanDerWaalsContact O-CG 3.28Å; L37-L41 WeakPolarHBondContact O-CG 3.41Å; L37-L41 PolarHBondContact O-N 3.47Å; Y38-L41 PolarHBondContact O-N 3.49Å; S39-L41 VanDerWaalsContact C-N 3.35Å; S39-L41 PolarHBondContact O-N 2.95Å; L41-P45 WeakPolarHBondContact O-CG 3.22Å; L41-P46 HydrophobicContact CD2-CG 4.36Å |
| 42 | H | 86.1 | Confident | 92.2 | Very high | 81 Ų | 81 | 51.3 Ų | 51.3 | 38% | 0.375 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -85.4 | -38.2 | -177.6 | -74.9 | 59.6 | 0 | 0 | 0 | 113.1 | Y38 S39 T40 R178 | Y38-H42 AromaticContact CD2-CE1 3.61Å; Y38-H42 AromaticContact CD2-ND1 3.99Å; Y38-H42 AromaticContact CE2-CE1 3.09Å; Y38-H42 WeakPolarHBondContact CE2-CE1 3.36Å; Y38-H42 AromaticContact CE2-ND1 3.8Å; Y38-H42 AromaticContact CE2-NE2 3.56Å; Y38-H42 AromaticContact CZ-CD2 3.95Å; Y38-H42 AromaticContact CZ-CE1 3.33Å; Y38-H42 AromaticContact CZ-ND1 3.82Å; Y38-H42 AromaticContact CZ-NE2 3.41Å; Y38-H42 PolarHBondContact O-N 3.09Å; Y38-H42 PolarHBondContact O-ND1 3.43Å; Y38-H42 PolarHBondContact OH-NE2 2.95Å; S39-H42 PolarHBondContact O-N 3.29Å; T40-H42 VanDerWaalsContact C-N 3.25Å; T40-H42 PolarHBondContact O-N 3.25Å; H42-R178 PolarHBondContact O-NH1 2.87Å; H42-R178 VanDerWaalsContact O-NH1 3.12Å |
| 43 | V | 84.9 | Confident | 92.1 | Very high | 25 Ų | 25 | 55 Ų | 55 | 15% | 0.152 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -91.8 | -42.9 | -170.4 | 168.6 | 0 | 0 | 0 | 0 | 112 | S39 L162 S163 Q166 | S39-V43 WeakPolarHBondContact O-CB 3.35Å; S39-V43 VanDerWaalsContact O-CG2 3.22Å; S39-V43 WeakPolarHBondContact O-CG2 3.46Å; S39-V43 PolarHBondContact O-N 3.07Å; V43-L162 HydrophobicContact CG1-CB 3.94Å; V43-S163 VanDerWaalsContact CG2-CA 3.44Å; V43-Q166 HydrophobicContact CG1-CG 4.27Å; V43-Q166 PolarHBondContact O-OE1 3.02Å |
| 44 | A | 85.9 | Confident | 91.9 | Very high | 11 Ų | 11 | 60.4 Ų | 60.4 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -142.6 | 75.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 109 | T40 G52 | T40-A44 CarbonylContact O-C 3.02Å; T40-A44 WeakPolarHBondContact O-CA 3.28Å; T40-A44 PolarHBondContact O-N 3Å; A44-G52 WeakPolarHBondContact O-CA 3.44Å |
| 45 | P | 88.7 | Confident | 91.8 | Very high | 44 Ų | 44 | 55.6 Ų | 55.6 | 29% | 0.286 | 31% | 0.305 | S | S | . | . | trans | -56.2 | 129.1 | -178.2 | -18.2 | 25.8 | 0 | 0 | 0 | 110.5 | L41 C47 S48 S49 | L41-P45 WeakPolarHBondContact O-CG 3.22Å; P45-C47 PolarHBondContact O-N 2.88Å; P45-C47 VanDerWaalsContact O-N 3.09Å; P45-S48 WeakPolarHBondContact CB-OG 3.45Å; P45-S48 WeakPolarHBondContact CD-OG 3.22Å; P45-S48 PolarHBondContact O-N 2.91Å; P45-S48 PolarHBondContact O-OG 3.17Å; P45-S49 PolarHBondContact O-N 3.16Å | ||
| 46 | P | 87.7 | Confident | 91.8 | Very high | 30 Ų | 30 | 55.9 Ų | 55.9 | 20% | 0.195 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -32.9 | -175.3 | -32.2 | 38.2 | 0 | 0 | 0 | 114.9 | L41 S48 L53 S56 | L41-P46 HydrophobicContact CD2-CG 4.36Å; P46-S48 PolarHBondContact O-N 3.29Å; P46-L53 HydrophobicContact CB-CB 4.3Å; P46-L53 HydrophobicContact CB-CD1 4.14Å; P46-S56 WeakPolarHBondContact CG-OG 3.42Å |
| 47 | C | 90.9 | Very high | 91.7 | Very high | 139 Ų | 139 | 59.4 Ų | 59.4 | 94% | 0.939 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -15.9 | 178.6 | -53.5 | 0 | 0 | 0 | 0 | 113.6 | P45 | P45-C47 PolarHBondContact O-N 2.88Å; P45-C47 VanDerWaalsContact O-N 3.09Å |
| 48 | S | 90.3 | Very high | 91.7 | Very high | 91 Ų | 91 | 58.4 Ų | 58.4 | 64% | 0.636 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.9 | -13.7 | -172.4 | 65.9 | 0 | 0 | 0 | 0 | 114.1 | P45 P46 | P45-S48 WeakPolarHBondContact CB-OG 3.45Å; P45-S48 WeakPolarHBondContact CD-OG 3.22Å; P45-S48 PolarHBondContact O-N 2.91Å; P45-S48 PolarHBondContact O-OG 3.17Å; P46-S48 PolarHBondContact O-N 3.29Å |
| 49 | S | 92.1 | Very high | 91.9 | Very high | 36 Ų | 36 | 53.5 Ų | 53.5 | 25% | 0.252 | 31% | 0.307 | S | S | . | . | trans | -139.3 | 121.7 | -173.9 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | P45 L51 G52 L53 | P45-S49 PolarHBondContact O-N 3.16Å; S49-L51 PolarHBondContact O-N 3.48Å; S49-L51 PolarHBondContact OG-N 2.91Å; S49-G52 WeakPolarHBondContact O-CA 3.3Å; S49-G52 PolarHBondContact O-N 3.23Å; S49-G52 PolarHBondContact OG-N 3.49Å; S49-L53 PolarHBondContact O-N 3.43Å | ||
| 50 | L | 93.9 | Very high | 92 | Very high | 147 Ų | 147 | 59.7 Ų | 59.7 | 77% | 0.77 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -58.9 | -38.8 | 174.6 | -177.9 | 63.9 | 0 | 0 | 0 | 111.4 | G52 L53 F54 | L50-G52 VanDerWaalsContact C-N 3.35Å; L50-L53 PolarHBondContact O-N 2.78Å; L50-F54 WeakPolarHBondContact O-CB 3.48Å; L50-F54 PolarHBondContact O-N 3.33Å |
| 51 | L | 92.5 | Very high | 92.3 | Very high | 88 Ų | 88 | 62.3 Ų | 62.3 | 46% | 0.461 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63 | -43.6 | 174.4 | 178.2 | 63.2 | 0 | 0 | 0 | 111 | S49 F54 L55 L162 | S49-L51 PolarHBondContact O-N 3.48Å; S49-L51 PolarHBondContact OG-N 2.91Å; L51-F54 PolarHBondContact O-N 3.28Å; L51-L55 HydrophobicContact CD1-CD1 4.05Å; L51-L55 HydrophobicContact CD1-CG 4.08Å; L51-L55 HydrophobicContact CG-CD1 3.99Å; L51-L55 HydrophobicContact CG-CG 4.4Å; L51-L55 WeakPolarHBondContact O-CB 3.27Å; L51-L55 VanDerWaalsContact O-CG 3.31Å; L51-L55 WeakPolarHBondContact O-CG 3.27Å; L51-L55 PolarHBondContact O-N 2.86Å; L51-L162 HydrophobicContact CD2-CD1 4.11Å |
| 52 | G | 92.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T40 A44 S49 L50 S56 | T40-G52 WeakPolarHBondContact CG2-O 3.43Å; A44-G52 WeakPolarHBondContact O-CA 3.44Å; S49-G52 WeakPolarHBondContact O-CA 3.3Å; S49-G52 PolarHBondContact O-N 3.23Å; S49-G52 PolarHBondContact OG-N 3.49Å; L50-G52 VanDerWaalsContact C-N 3.35Å; G52-S56 VanDerWaalsContact O-CB 3.29Å; G52-S56 WeakPolarHBondContact O-CB 3.48Å; G52-S56 PolarHBondContact O-N 3.1Å; G52-S56 PolarHBondContact O-OG 2.78Å |
| 53 | L | 94.7 | Very high | 93.2 | Very high | 85 Ų | 85 | 55.8 Ų | 55.8 | 45% | 0.445 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64 | -45.2 | 176.3 | 179.9 | 62.2 | 0 | 0 | 0 | 111.5 | P46 S49 L50 T57 | P46-L53 HydrophobicContact CB-CB 4.3Å; P46-L53 HydrophobicContact CB-CD1 4.14Å; S49-L53 PolarHBondContact O-N 3.43Å; L50-L53 PolarHBondContact O-N 2.78Å; L53-T57 VanDerWaalsContact O-CB 3.31Å; L53-T57 WeakPolarHBondContact O-CB 3.29Å; L53-T57 PolarHBondContact O-N 3.06Å; L53-T57 PolarHBondContact O-OG1 2.82Å |
| 54 | F | 95.1 | Very high | 93.8 | Very high | 125 Ų | 125 | 60.6 Ų | 60.6 | 55% | 0.548 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.2 | -52.9 | 177.3 | 176.1 | -101.7 | 0 | 0 | 0 | 111.4 | L50 L51 S56 T57 C58 | L50-F54 WeakPolarHBondContact O-CB 3.48Å; L50-F54 PolarHBondContact O-N 3.33Å; L51-F54 PolarHBondContact O-N 3.28Å; F54-S56 PolarHBondContact O-N 2.99Å; F54-T57 PolarHBondContact O-N 3.2Å; F54-C58 WeakPolarHBondContact O-CB 3.37Å; F54-C58 PolarHBondContact O-N 2.8Å; F54-C58 PolarHBondContact O-SG 3.33Å |
| 55 | L | 95.4 | Very high | 94.4 | Very high | 5 Ų | 5 | 62.7 Ų | 62.7 | 3% | 0.026 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.1 | -46.4 | 179.9 | -71.3 | 175.4 | 0 | 0 | 0 | 111.7 | T40 L51 T57 C58 I59 I158 L162 | T40-L55 HydrophobicContact CG2-CB 4.2Å; L51-L55 HydrophobicContact CD1-CD1 4.05Å; L51-L55 HydrophobicContact CD1-CG 4.08Å; L51-L55 HydrophobicContact CG-CD1 3.99Å; L51-L55 HydrophobicContact CG-CG 4.4Å; L51-L55 WeakPolarHBondContact O-CB 3.27Å; L51-L55 VanDerWaalsContact O-CG 3.31Å; L51-L55 WeakPolarHBondContact O-CG 3.27Å; L51-L55 PolarHBondContact O-N 2.86Å; L55-T57 VanDerWaalsContact C-N 3.33Å; L55-T57 PolarHBondContact O-N 2.99Å; L55-C58 PolarHBondContact O-N 3.11Å; L55-I59 WeakPolarHBondContact O-CB 3.43Å; L55-I59 WeakPolarHBondContact O-CD1 3.48Å; L55-I59 VanDerWaalsContact O-CG1 3.23Å; L55-I59 WeakPolarHBondContact O-CG1 3.49Å; L55-I59 PolarHBondContact O-N 2.94Å; L55-I158 HydrophobicContact CD1-CG2 4.39Å; L55-I158 HydrophobicContact CD2-CB 4.41Å; L55-I158 HydrophobicContact CD2-CG2 4.03Å; L55-L162 HydrophobicContact CD1-CD1 3.79Å |
| 56 | S | 95.2 | Very high | 94.8 | Very high | 18 Ų | 18 | 61.2 Ų | 61.2 | 13% | 0.126 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 178.2 | -60.8 | 0 | 0 | 0 | 0 | 112 | T40 P46 G52 F54 I59 F60 | T40-S56 WeakPolarHBondContact CG2-OG 3.31Å; P46-S56 WeakPolarHBondContact CG-OG 3.42Å; G52-S56 VanDerWaalsContact O-CB 3.29Å; G52-S56 WeakPolarHBondContact O-CB 3.48Å; G52-S56 PolarHBondContact O-N 3.1Å; G52-S56 PolarHBondContact O-OG 2.78Å; F54-S56 PolarHBondContact O-N 2.99Å; S56-I59 PolarHBondContact O-N 2.81Å; S56-F60 VanDerWaalsContact O-CB 3.29Å; S56-F60 WeakPolarHBondContact O-CB 3.42Å; S56-F60 PolarHBondContact O-N 3.27Å |
| 57 | T | 95.5 | Very high | 95.3 | Very high | 74 Ų | 74 | 61.4 Ų | 61.4 | 45% | 0.454 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 176 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | L53 F54 L55 S61 | L53-T57 VanDerWaalsContact O-CB 3.31Å; L53-T57 WeakPolarHBondContact O-CB 3.29Å; L53-T57 PolarHBondContact O-N 3.06Å; L53-T57 PolarHBondContact O-OG1 2.82Å; F54-T57 PolarHBondContact O-N 3.2Å; L55-T57 VanDerWaalsContact C-N 3.33Å; L55-T57 PolarHBondContact O-N 2.99Å; T57-S61 WeakPolarHBondContact O-CB 3.3Å; T57-S61 PolarHBondContact O-N 3.32Å; T57-S61 PolarHBondContact O-OG 3.18Å |
| 58 | C | 96.6 | Very high | 95.6 | Very high | 20 Ų | 20 | 59.7 Ų | 59.7 | 14% | 0.135 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 176.8 | -75.1 | 0 | 0 | 0 | 0 | 112.2 | F54 L55 S62 T155 | F54-C58 WeakPolarHBondContact O-CB 3.37Å; F54-C58 PolarHBondContact O-N 2.8Å; F54-C58 PolarHBondContact O-SG 3.33Å; L55-C58 PolarHBondContact O-N 3.11Å; C58-S62 WeakPolarHBondContact O-CB 3.28Å; C58-S62 PolarHBondContact O-N 3.35Å; C58-S62 PolarHBondContact O-OG 2.95Å; C58-T155 HydrophobicContact CB-CG2 4.16Å |
| 59 | I | 96.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.8 | -48.7 | 178.6 | -69 | 162 | 0 | 0 | 0 | 110 | T33 L37 L55 S56 S62 F63 A159 | T33-I59 HydrophobicContact CG2-CG2 4.03Å; L37-I59 HydrophobicContact CD2-CB 4.11Å; L37-I59 HydrophobicContact CD2-CG2 3.7Å; L37-I59 HydrophobicContact CG-CG2 3.79Å; L55-I59 WeakPolarHBondContact O-CB 3.43Å; L55-I59 WeakPolarHBondContact O-CD1 3.48Å; L55-I59 VanDerWaalsContact O-CG1 3.23Å; L55-I59 WeakPolarHBondContact O-CG1 3.49Å; L55-I59 PolarHBondContact O-N 2.94Å; S56-I59 PolarHBondContact O-N 2.81Å; I59-S62 PolarHBondContact O-N 2.87Å; I59-F63 WeakPolarHBondContact O-CB 3.33Å; I59-F63 PolarHBondContact O-N 3.41Å; I59-A159 HydrophobicContact CD1-CB 3.96Å |
| 60 | F | 95.7 | Very high | 96.2 | Very high | 131 Ų | 131 | 53.9 Ų | 53.9 | 58% | 0.575 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -64.3 | -43.2 | -179.8 | -171.7 | -97.3 | 0 | 0 | 0 | 112.5 | S56 F63 Y64 | S56-F60 VanDerWaalsContact O-CB 3.29Å; S56-F60 WeakPolarHBondContact O-CB 3.42Å; S56-F60 PolarHBondContact O-N 3.27Å; F60-F63 PolarHBondContact O-N 2.86Å; F60-Y64 PolarHBondContact O-N 3.25Å |
| 61 | S | 96.9 | Very high | 96.3 | Very high | 58 Ų | 58 | 49.3 Ų | 49.3 | 41% | 0.406 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65 | -41.3 | 176.9 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | T57 Y64 M65 | T57-S61 WeakPolarHBondContact O-CB 3.3Å; T57-S61 PolarHBondContact O-N 3.32Å; T57-S61 PolarHBondContact O-OG 3.18Å; S61-Y64 PolarHBondContact O-N 3.25Å; S61-M65 WeakPolarHBondContact O-CB 3.39Å; S61-M65 WeakPolarHBondContact O-CG 3.24Å; S61-M65 PolarHBondContact O-N 2.88Å |
| 62 | S | 97.4 | Very high | 96.4 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 3% | 0.028 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.5 | -46.2 | 175.1 | -59.6 | 0 | 0 | 0 | 0 | 110.8 | C58 I59 Y64 M65 I66 F151 | C58-S62 WeakPolarHBondContact O-CB 3.28Å; C58-S62 PolarHBondContact O-N 3.35Å; C58-S62 PolarHBondContact O-OG 2.95Å; I59-S62 PolarHBondContact O-N 2.87Å; S62-Y64 PolarHBondContact O-N 2.76Å; S62-M65 PolarHBondContact O-N 2.89Å; S62-I66 VanDerWaalsContact O-CB 3.32Å; S62-I66 WeakPolarHBondContact O-CB 3.48Å; S62-I66 WeakPolarHBondContact O-CD1 3.33Å; S62-I66 WeakPolarHBondContact O-CG1 3.47Å; S62-I66 PolarHBondContact O-N 3.36Å; S62-F151 VanDerWaalsContact OG-CD1 3.29Å; S62-F151 WeakPolarHBondContact OG-CD1 3.25Å; S62-F151 WeakPolarHBondContact OG-CE1 3.41Å |
| 63 | F | 97.8 | Very high | 96.6 | Very high | 38 Ų | 38 | 46.8 Ų | 46.8 | 17% | 0.167 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55.3 | -49.6 | 176.1 | 170.4 | -104.1 | 0 | 0 | 0 | 111.9 | I29 F30 T33 I59 F60 M65 I66 L67 | I29-F63 HydrophobicContact CG2-CD2 3.81Å; I29-F63 HydrophobicContact CG2-CE2 3.89Å; F30-F63 HydrophobicContact CD1-CE2 4.2Å; F30-F63 HydrophobicContact CD1-CZ 4.27Å; F30-F63 HydrophobicContact CD2-CE2 4.41Å; F30-F63 HydrophobicContact CE1-CE2 4.08Å; F30-F63 AromaticContact CE1-CZ 3.73Å; F30-F63 HydrophobicContact CE1-CZ 3.73Å; F30-F63 HydrophobicContact CE2-CE2 4.3Å; F30-F63 HydrophobicContact CE2-CZ 4.36Å; F30-F63 HydrophobicContact CG-CE2 4.38Å; F30-F63 HydrophobicContact CZ-CE2 4.14Å; F30-F63 AromaticContact CZ-CZ 3.79Å; F30-F63 HydrophobicContact CZ-CZ 3.79Å; T33-F63 HydrophobicContact CG2-CB 3.69Å; T33-F63 HydrophobicContact CG2-CD2 3.68Å; T33-F63 HydrophobicContact CG2-CE2 4.47Å; T33-F63 HydrophobicContact CG2-CG 3.74Å; T33-F63 WeakPolarHBondContact OG1-CD2 3.45Å; I59-F63 WeakPolarHBondContact O-CB 3.33Å; I59-F63 PolarHBondContact O-N 3.41Å; F60-F63 PolarHBondContact O-N 2.86Å; F63-M65 PolarHBondContact O-N 3.16Å; F63-I66 PolarHBondContact O-N 3.41Å; F63-L67 HydrophobicContact CE1-CD2 4.24Å; F63-L67 HydrophobicContact CE2-CD2 4.33Å; F63-L67 HydrophobicContact CZ-CD2 3.78Å; F63-L67 VanDerWaalsContact O-CB 3.29Å; F63-L67 WeakPolarHBondContact O-CB 3.29Å; F63-L67 PolarHBondContact O-N 2.86Å |
| 64 | Y | 98 | Very high | 96.6 | Very high | 126 Ų | 126 | 42.7 Ų | 42.7 | 49% | 0.494 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -57.5 | -48.5 | 176.9 | 172.6 | -100.3 | 0 | 0 | 0 | 111.7 | F60 S61 S62 K68 | F60-Y64 PolarHBondContact O-N 3.25Å; S61-Y64 PolarHBondContact O-N 3.25Å; S62-Y64 PolarHBondContact O-N 2.76Å; Y64-K68 HydrophobicContact CE1-CD 3.96Å; Y64-K68 WeakPolarHBondContact O-CB 3.39Å; Y64-K68 PolarHBondContact O-N 3.39Å; Y64-K68 PolarHBondContact OH-NZ 3.28Å |
| 65 | M | 98 | Very high | 96.5 | Very high | 55 Ų | 55 | 39.2 Ų | 39.2 | 27% | 0.271 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -67.1 | -41.9 | -178.4 | -71.7 | -58.7 | -67 | 0 | 0 | 112.7 | S61 S62 F63 S69 I144 F148 | S61-M65 WeakPolarHBondContact O-CB 3.39Å; S61-M65 WeakPolarHBondContact O-CG 3.24Å; S61-M65 PolarHBondContact O-N 2.88Å; S62-M65 PolarHBondContact O-N 2.89Å; F63-M65 PolarHBondContact O-N 3.16Å; M65-S69 VanDerWaalsContact O-CB 3.23Å; M65-S69 WeakPolarHBondContact O-CB 3.42Å; M65-S69 PolarHBondContact O-N 3.07Å; M65-S69 PolarHBondContact O-OG 2.57Å; M65-I144 HydrophobicContact CE-CG2 4.21Å; M65-F148 HydrophobicContact CB-CB 4.37Å; M65-F148 HydrophobicContact CB-CD1 3.59Å; M65-F148 HydrophobicContact CB-CD2 4.27Å; M65-F148 HydrophobicContact CB-CE1 3.84Å; M65-F148 HydrophobicContact CB-CE2 4.49Å; M65-F148 HydrophobicContact CB-CG 3.82Å; M65-F148 HydrophobicContact CB-CZ 4.29Å; M65-F148 HydrophobicContact CE-CD2 4.42Å; M65-F148 HydrophobicContact CE-CE2 3.83Å; M65-F148 HydrophobicContact CE-CZ 3.89Å; M65-F148 HydrophobicContact CG-CD1 4.11Å; M65-F148 HydrophobicContact CG-CE1 3.83Å; M65-F148 HydrophobicContact CG-CZ 4.12Å |
| 66 | I | 98.4 | Very high | 96.3 | Very high | 13 Ų | 13 | 42 Ų | 42 | 7% | 0.067 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.1 | -54.3 | 176.6 | -67.5 | 163.4 | 0 | 0 | 0 | 109.5 | I29 S62 F63 K68 S69 Y70 F145 F148 A149 | I29-I66 HydrophobicContact CD1-CG2 3.71Å; I29-I66 HydrophobicContact CG1-CG2 3.83Å; I29-I66 HydrophobicContact CG2-CG2 4.2Å; S62-I66 VanDerWaalsContact O-CB 3.32Å; S62-I66 WeakPolarHBondContact O-CB 3.48Å; S62-I66 WeakPolarHBondContact O-CD1 3.33Å; S62-I66 WeakPolarHBondContact O-CG1 3.47Å; S62-I66 PolarHBondContact O-N 3.36Å; F63-I66 PolarHBondContact O-N 3.41Å; I66-K68 PolarHBondContact O-N 3.3Å; I66-S69 PolarHBondContact O-N 3.08Å; I66-S69 PolarHBondContact O-OG 2.84Å; I66-S69 VanDerWaalsContact O-OG 3.09Å; I66-Y70 WeakPolarHBondContact O-CB 3.27Å; I66-Y70 PolarHBondContact O-N 3.32Å; I66-F145 HydrophobicContact CG2-CD2 3.96Å; I66-F145 HydrophobicContact CG2-CE2 3.93Å; I66-F148 WeakPolarHBondContact CD1-O 3.35Å; I66-F148 HydrophobicContact CG1-CB 3.8Å; I66-A149 HydrophobicContact CG1-CB 4.49Å |
| 67 | L | 97.7 | Very high | 96.1 | Very high | 35 Ų | 35 | 41.2 Ų | 41.2 | 18% | 0.183 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.1 | -45.6 | -176.3 | -174.7 | 62.3 | 0 | 0 | 0 | 111.2 | F30 F63 Y70 L71 | F30-L67 HydrophobicContact CE2-CD1 4.25Å; F30-L67 HydrophobicContact CE2-CD2 4.43Å; F30-L67 HydrophobicContact CZ-CD2 4.27Å; F63-L67 HydrophobicContact CE1-CD2 4.24Å; F63-L67 HydrophobicContact CE2-CD2 4.33Å; F63-L67 HydrophobicContact CZ-CD2 3.78Å; F63-L67 VanDerWaalsContact O-CB 3.29Å; F63-L67 WeakPolarHBondContact O-CB 3.29Å; F63-L67 PolarHBondContact O-N 2.86Å; L67-Y70 PolarHBondContact O-N 3.25Å; L67-L71 HydrophobicContact CD1-CD1 3.97Å; L67-L71 HydrophobicContact CD1-CG 4.09Å; L67-L71 HydrophobicContact CG-CD1 3.94Å; L67-L71 HydrophobicContact CG-CG 4.4Å; L67-L71 WeakPolarHBondContact O-CB 3.36Å; L67-L71 VanDerWaalsContact O-CG 3.23Å; L67-L71 WeakPolarHBondContact O-CG 3.29Å; L67-L71 PolarHBondContact O-N 3.28Å |
| 68 | K | 97.5 | Very high | 96 | Very high | 103 Ų | 103 | 37.7 Ų | 37.7 | 45% | 0.448 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -59.6 | -52.8 | 177.3 | 179.4 | -178.3 | -176.8 | 174.3 | 0 | 111.7 | Y64 I66 Y70 L71 C72 | Y64-K68 HydrophobicContact CE1-CD 3.96Å; Y64-K68 WeakPolarHBondContact O-CB 3.39Å; Y64-K68 PolarHBondContact O-N 3.39Å; Y64-K68 PolarHBondContact OH-NZ 3.28Å; I66-K68 PolarHBondContact O-N 3.3Å; K68-Y70 VanDerWaalsContact C-N 3.34Å; K68-Y70 PolarHBondContact O-N 3.26Å; K68-L71 PolarHBondContact O-N 2.95Å; K68-C72 WeakPolarHBondContact O-CB 2.97Å; K68-C72 PolarHBondContact O-N 3.22Å; K68-C72 PolarHBondContact O-SG 2.82Å |
| 69 | S | 97.3 | Very high | 95.9 | Very high | 4 Ų | 4 | 37 Ų | 37 | 3% | 0.028 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.1 | -38.7 | -177.8 | 58.7 | 0 | 0 | 0 | 0 | 112 | M65 I66 C72 A73 F145 | M65-S69 VanDerWaalsContact O-CB 3.23Å; M65-S69 WeakPolarHBondContact O-CB 3.42Å; M65-S69 PolarHBondContact O-N 3.07Å; M65-S69 PolarHBondContact O-OG 2.57Å; I66-S69 PolarHBondContact O-N 3.08Å; I66-S69 PolarHBondContact O-OG 2.84Å; I66-S69 VanDerWaalsContact O-OG 3.09Å; S69-C72 PolarHBondContact O-N 2.66Å; S69-A73 WeakPolarHBondContact O-CB 3.49Å; S69-A73 PolarHBondContact O-N 2.88Å; S69-F145 VanDerWaalsContact OG-CA 3.26Å; S69-F145 WeakPolarHBondContact OG-CA 3.38Å; S69-F145 WeakPolarHBondContact OG-CB 3.35Å; S69-F145 PolarHBondContact OG-N 2.6Å |
| 70 | Y | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.6 | -53.1 | 173.7 | 178.8 | -98.1 | 0 | 0 | 0 | 112.1 | P22 T25 I26 I29 I66 L67 K68 C72 A73 V74 W129 I130 F145 | P22-Y70 WeakPolarHBondContact CA-OH 3.2Å; P22-Y70 VanDerWaalsContact CB-OH 3.23Å; P22-Y70 WeakPolarHBondContact CB-OH 3.44Å; T25-Y70 HydrophobicContact CG2-CD2 3.8Å; T25-Y70 HydrophobicContact CG2-CE2 3.38Å; I26-Y70 HydrophobicContact CD1-CE1 4.15Å; I26-Y70 HydrophobicContact CG1-CD1 4.37Å; I26-Y70 HydrophobicContact CG1-CE1 3.78Å; I29-Y70 HydrophobicContact CD1-CG 4.4Å; I66-Y70 WeakPolarHBondContact O-CB 3.27Å; I66-Y70 PolarHBondContact O-N 3.32Å; L67-Y70 PolarHBondContact O-N 3.25Å; K68-Y70 VanDerWaalsContact C-N 3.34Å; K68-Y70 PolarHBondContact O-N 3.26Å; Y70-C72 VanDerWaalsContact C-N 3.34Å; Y70-C72 PolarHBondContact O-N 3.04Å; Y70-A73 WeakPolarHBondContact O-CB 3.12Å; Y70-A73 PolarHBondContact O-N 3.07Å; Y70-A73 VanDerWaalsContact O-N 3.07Å; Y70-V74 HydrophobicContact CE1-CG2 3.98Å; Y70-V74 HydrophobicContact CE2-CG2 4.42Å; Y70-V74 WeakPolarHBondContact O-CG2 3.31Å; Y70-V74 PolarHBondContact O-N 2.9Å; Y70-W129 PolarHBondContact OH-O 2.78Å; Y70-I130 HydrophobicContact CD2-CG2 4.11Å; Y70-I130 HydrophobicContact CE2-CG2 3.6Å; Y70-F145 HydrophobicContact CD2-CD2 4.12Å; Y70-F145 HydrophobicContact CD2-CE1 4.28Å; Y70-F145 AromaticContact CD2-CE2 3.87Å; Y70-F145 HydrophobicContact CD2-CE2 3.87Å; Y70-F145 HydrophobicContact CD2-CG 4.43Å; Y70-F145 AromaticContact CD2-CZ 3.95Å; Y70-F145 HydrophobicContact CD2-CZ 3.95Å; Y70-F145 HydrophobicContact CG-CD2 4.45Å; Y70-F145 HydrophobicContact CG-CE2 4.4Å |
| 71 | L | 96.3 | Very high | 95.9 | Very high | 51 Ų | 51 | 33.8 Ų | 33.8 | 27% | 0.267 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -63.7 | -38.8 | 179.5 | -66.9 | 177.1 | 0 | 0 | 0 | 111.7 | L67 K68 A73 V74 F75 | L67-L71 HydrophobicContact CD1-CD1 3.97Å; L67-L71 HydrophobicContact CD1-CG 4.09Å; L67-L71 HydrophobicContact CG-CD1 3.94Å; L67-L71 HydrophobicContact CG-CG 4.4Å; L67-L71 WeakPolarHBondContact O-CB 3.36Å; L67-L71 VanDerWaalsContact O-CG 3.23Å; L67-L71 WeakPolarHBondContact O-CG 3.29Å; L67-L71 PolarHBondContact O-N 3.28Å; K68-L71 PolarHBondContact O-N 2.95Å; L71-A73 VanDerWaalsContact C-N 3.33Å; L71-A73 PolarHBondContact O-N 3.19Å; L71-V74 PolarHBondContact O-N 2.89Å; L71-F75 HydrophobicContact CB-CD2 4.13Å; L71-F75 HydrophobicContact CB-CE2 4.33Å; L71-F75 HydrophobicContact CD2-CE2 3.97Å; L71-F75 WeakPolarHBondContact O-CB 3.29Å; L71-F75 WeakPolarHBondContact O-CD2 3.05Å; L71-F75 PolarHBondContact O-N 2.77Å |
| 72 | C | 95 | Very high | 95.8 | Very high | 35 Ų | 35 | 33.9 Ų | 33.9 | 24% | 0.236 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61 | -41.8 | 171.9 | -72.1 | 0 | 0 | 0 | 0 | 111.7 | K68 S69 Y70 V74 F75 V76 Y141 | K68-C72 WeakPolarHBondContact O-CB 2.97Å; K68-C72 PolarHBondContact O-N 3.22Å; K68-C72 PolarHBondContact O-SG 2.82Å; S69-C72 PolarHBondContact O-N 2.66Å; Y70-C72 VanDerWaalsContact C-N 3.34Å; Y70-C72 PolarHBondContact O-N 3.04Å; C72-V74 VanDerWaalsContact C-N 3.3Å; C72-V74 PolarHBondContact O-N 2.93Å; C72-F75 PolarHBondContact O-N 2.93Å; C72-V76 HydrophobicContact CB-CG2 4.45Å; C72-V76 VanDerWaalsContact O-CB 3.23Å; C72-V76 WeakPolarHBondContact O-CB 3.12Å; C72-V76 VanDerWaalsContact O-CG2 3.28Å; C72-V76 WeakPolarHBondContact O-CG2 3.31Å; C72-V76 PolarHBondContact O-N 2.81Å; C72-Y141 HydrophobicContact CB-CD1 3.48Å; C72-Y141 VanDerWaalsContact CB-CD1 3.48Å; C72-Y141 HydrophobicContact CB-CD2 3.9Å; C72-Y141 HydrophobicContact CB-CE1 3.94Å; C72-Y141 HydrophobicContact CB-CE2 4.35Å; C72-Y141 HydrophobicContact CB-CG 3.45Å; C72-Y141 VanDerWaalsContact CB-CG 3.45Å |
| 73 | A | 95.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.7 | -38.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | S69 Y70 L71 N138 F142 | S69-A73 WeakPolarHBondContact O-CB 3.49Å; S69-A73 PolarHBondContact O-N 2.88Å; Y70-A73 WeakPolarHBondContact O-CB 3.12Å; Y70-A73 PolarHBondContact O-N 3.07Å; Y70-A73 VanDerWaalsContact O-N 3.07Å; L71-A73 VanDerWaalsContact C-N 3.33Å; L71-A73 PolarHBondContact O-N 3.19Å; A73-N138 PolarHBondContact O-ND2 3.17Å; A73-F142 HydrophobicContact CB-CB 4.35Å |
| 74 | V | 95 | Very high | 95.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71.2 | -50 | 176.5 | 176.2 | 0 | 0 | 0 | 0 | 112 | R16 L17 Y70 L71 C72 I130 | R16-V74 HydrophobicContact CB-CG1 4.34Å; R16-V74 PolarHBondContact NH1-O 3.24Å; L17-V74 HydrophobicContact CD2-CG1 3.93Å; Y70-V74 HydrophobicContact CE1-CG2 3.98Å; Y70-V74 HydrophobicContact CE2-CG2 4.42Å; Y70-V74 WeakPolarHBondContact O-CG2 3.31Å; Y70-V74 PolarHBondContact O-N 2.9Å; L71-V74 PolarHBondContact O-N 2.89Å; C72-V74 VanDerWaalsContact C-N 3.3Å; C72-V74 PolarHBondContact O-N 2.93Å; V74-I130 HydrophobicContact CG2-CB 3.82Å; V74-I130 HydrophobicContact CG2-CG2 4.08Å |
| 75 | F | 93.3 | Very high | 95.6 | Very high | 51 Ų | 51 | 34.2 Ų | 34.2 | 22% | 0.224 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -89.2 | -33.4 | -165.8 | -71.8 | -54.9 | 0 | 0 | 0 | 115.2 | K13 L17 L71 C72 | K13-F75 HydrophobicContact CB-CD1 3.99Å; K13-F75 HydrophobicContact CB-CE1 4.22Å; K13-F75 HydrophobicContact CD-CD1 4.5Å; K13-F75 WeakPolarHBondContact CE-O 3.43Å; K13-F75 PolarHBondContact NZ-O 3.46Å; L17-F75 HydrophobicContact CD1-CE1 4.42Å; L17-F75 HydrophobicContact CD1-CE2 4.29Å; L17-F75 HydrophobicContact CD1-CZ 3.6Å; L17-F75 HydrophobicContact CG-CE1 4.49Å; L17-F75 HydrophobicContact CG-CZ 4.07Å; L71-F75 HydrophobicContact CB-CD2 4.13Å; L71-F75 HydrophobicContact CB-CE2 4.33Å; L71-F75 HydrophobicContact CD2-CE2 3.97Å; L71-F75 WeakPolarHBondContact O-CB 3.29Å; L71-F75 WeakPolarHBondContact O-CD2 3.05Å; L71-F75 PolarHBondContact O-N 2.77Å; C72-F75 PolarHBondContact O-N 2.93Å |
| 76 | V | 91.8 | Very high | 95.5 | Very high | 65 Ų | 65 | 39.2 Ų | 39.2 | 39% | 0.394 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64.1 | -40 | 171.6 | 176.5 | 0 | 0 | 0 | 0 | 108.9 | C72 L137 Y141 | C72-V76 HydrophobicContact CB-CG2 4.45Å; C72-V76 VanDerWaalsContact O-CB 3.23Å; C72-V76 WeakPolarHBondContact O-CB 3.12Å; C72-V76 VanDerWaalsContact O-CG2 3.28Å; C72-V76 WeakPolarHBondContact O-CG2 3.31Å; C72-V76 PolarHBondContact O-N 2.81Å; V76-L137 HydrophobicContact CG1-CB 4.04Å; V76-Y141 HydrophobicContact CB-CD2 4.44Å; V76-Y141 HydrophobicContact CB-CE2 4.27Å; V76-Y141 HydrophobicContact CG1-CE2 4.25Å; V76-Y141 HydrophobicContact CG2-CD2 4.19Å; V76-Y141 HydrophobicContact CG2-CE2 3.78Å |
| 77 | G | 89.5 | Confident | 95.4 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | trans | 74.8 | 175.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G79 L137 N138 | G77-G79 VanDerWaalsContact C-N 3.33Å; G77-G79 PolarHBondContact O-N 2.61Å; G77-L137 WeakPolarHBondContact O-CB 3.42Å; G77-N138 VanDerWaalsContact O-CB 3.24Å; G77-N138 WeakPolarHBondContact O-CB 3.36Å; G77-N138 PolarHBondContact O-N 2.77Å | ||
| 78 | P | 94.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -79.8 | -12.9 | -166 | 30.2 | -37.6 | 0 | 0 | 0 | 115.1 | F80 I120 T132 C133 G135 H136 L137 N138 | P78-F80 HydrophobicContact CG-CD1 4.41Å; P78-F80 HydrophobicContact CG-CE1 3.97Å; P78-F80 HydrophobicContact CG-CE2 4.16Å; P78-F80 HydrophobicContact CG-CZ 3.84Å; P78-I120 HydrophobicContact CB-CG2 3.53Å; P78-I120 HydrophobicContact CG-CD1 3.87Å; P78-I120 HydrophobicContact CG-CG2 4Å; P78-T132 WeakPolarHBondContact CD-OG1 3.21Å; P78-C133 HydrophobicContact CB-CB 3.87Å; P78-C133 WeakPolarHBondContact CB-O 3.46Å; P78-C133 HydrophobicContact CG-CB 3.99Å; P78-G135 CarbonylContact O-C 3.54Å; P78-G135 VanDerWaalsContact O-C 3.25Å; P78-H136 PolarHBondContact O-N 2.82Å; P78-L137 PolarHBondContact O-N 3.04Å; P78-L137 VanDerWaalsContact O-N 3.13Å; P78-N138 WeakPolarHBondContact CA-OD1 3.16Å |
| 79 | G | 94.1 | Very high | 94.9 | Very high | 4 Ų | 4 | 41.9 Ų | 41.9 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | trans | 86.8 | 85.6 | -163.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | G77 M121 | G77-G79 VanDerWaalsContact C-N 3.33Å; G77-G79 PolarHBondContact O-N 2.61Å; G79-M121 WeakPolarHBondContact O-CB 3.3Å; G79-M121 PolarHBondContact O-N 3.46Å | ||
| 80 | F | 95.2 | Very high | 94.7 | Very high | 64 Ų | 64 | 46.1 Ų | 46.1 | 28% | 0.281 | 26% | 0.257 | S | S | . | . | B | Isolated β-bridge | trans | -75.7 | 132.4 | 175.2 | -62.5 | -75.8 | 0 | 0 | 0 | 110.3 | P78 C116 R118 I120 M121 | P78-F80 HydrophobicContact CG-CD1 4.41Å; P78-F80 HydrophobicContact CG-CE1 3.97Å; P78-F80 HydrophobicContact CG-CE2 4.16Å; P78-F80 HydrophobicContact CG-CZ 3.84Å; F80-C116 HydrophobicContact CE1-CB 4.12Å; F80-R118 HydrophobicContact CD1-CB 3.53Å; F80-R118 HydrophobicContact CD1-CG 3.94Å; F80-R118 HydrophobicContact CE1-CB 4.02Å; F80-R118 HydrophobicContact CE1-CG 4.33Å; F80-I120 HydrophobicContact CD1-CD1 3.32Å; F80-I120 HydrophobicContact CE1-CD1 3.38Å; F80-I120 HydrophobicContact CG-CD1 4.42Å; F80-M121 WeakPolarHBondContact O-CE 3.03Å |
| 81 | V | 96.5 | Very high | 94.6 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 135.6 | 169.5 | -176.7 | 0 | 0 | 0 | 0 | 108.2 | W85 P107 A110 R118 C119 M121 | V81-W85 HydrophobicContact CG1-CB 3.52Å; V81-W85 HydrophobicContact CG1-CD2 4.37Å; V81-W85 HydrophobicContact CG1-CG 3.78Å; V81-P107 HydrophobicContact CG1-CG 3.96Å; V81-P107 HydrophobicContact CG2-CG 4.06Å; V81-A110 HydrophobicContact CG2-CB 4.15Å; V81-R118 PolarHBondContact O-NH2 3.06Å; V81-C119 HydrophobicContact CB-CB 3.8Å; V81-C119 HydrophobicContact CG2-CB 3.88Å; V81-C119 PolarHBondContact N-O 2.93Å; V81-M121 HydrophobicContact CG2-CG 3.67Å |
| 82 | P | 95.7 | Very high | 94.5 | Very high | 59 Ų | 59 | 46.5 Ų | 46.5 | 38% | 0.383 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -53.2 | 146.3 | 172.1 | -26.7 | 35.2 | 0 | 0 | 0 | 112 | W85 Y273 | P82-W85 HydrophobicContact CB-CB 4.48Å; P82-W85 WeakPolarHBondContact O-CB 3.49Å; P82-W85 PolarHBondContact O-N 3.44Å; P82-Y273 VanDerWaalsContact CD-OH 3.31Å; P82-Y273 WeakPolarHBondContact CD-OH 3.39Å |
| 83 | L | 95.6 | Very high | 94.5 | Very high | 104 Ų | 104 | 47.1 Ų | 47.1 | 55% | 0.545 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 142.3 | 171.7 | -64.3 | 174.4 | 0 | 0 | 0 | 108.6 | W85 C102 | L83-W85 PolarHBondContact O-N 3.44Å; L83-C102 HydrophobicContact CD2-CB 3.99Å |
| 84 | G | 95.9 | Very high | 94.4 | Very high | 38 Ų | 38 | 55.3 Ų | 55.3 | 39% | 0.392 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 13.1 | -178 | 0 | 0 | 0 | 0 | 0 | 115.3 | R86 C102 R103 | G84-R86 PolarHBondContact O-N 3.14Å; G84-C102 PolarHBondContact N-O 2.84Å; G84-R103 WeakPolarHBondContact CA-O 3.3Å |
| 85 | W | 97 | Very high | 94.4 | Very high | 33 Ų | 33 | 59.3 Ų | 59.3 | 13% | 0.125 | 32% | 0.32 | C | S | . | . | trans | -56.3 | 137.3 | -178.2 | -176 | 92.4 | 0 | 0 | 0 | 112 | V81 P82 L83 P87 L96 G104 F105 P107 Y273 | V81-W85 HydrophobicContact CG1-CB 3.52Å; V81-W85 HydrophobicContact CG1-CD2 4.37Å; V81-W85 HydrophobicContact CG1-CG 3.78Å; P82-W85 HydrophobicContact CB-CB 4.48Å; P82-W85 WeakPolarHBondContact O-CB 3.49Å; P82-W85 PolarHBondContact O-N 3.44Å; L83-W85 PolarHBondContact O-N 3.44Å; W85-P87 HydrophobicContact CH2-CB 4.06Å; W85-P87 HydrophobicContact CZ3-CB 4.44Å; W85-L96 HydrophobicContact CH2-CD1 4.3Å; W85-L96 HydrophobicContact CZ3-CD1 3.93Å; W85-G104 CarbonylContact O-C 3.45Å; W85-G104 WeakPolarHBondContact O-CA 3.2Å; W85-F105 HydrophobicContact CE3-CB 4.06Å; W85-F105 HydrophobicContact CZ3-CB 4.06Å; W85-F105 PolarHBondContact O-N 3.48Å; W85-P107 HydrophobicContact CD2-CG 3.78Å; W85-P107 HydrophobicContact CE3-CG 3.7Å; W85-P107 HydrophobicContact CH2-CB 3.95Å; W85-P107 HydrophobicContact CH2-CG 3.83Å; W85-P107 HydrophobicContact CZ2-CB 4.23Å; W85-P107 HydrophobicContact CZ2-CG 3.9Å; W85-P107 HydrophobicContact CZ3-CB 4.15Å; W85-P107 HydrophobicContact CZ3-CG 3.73Å; W85-Y273 AromaticContact CD1-CE1 3.7Å; W85-Y273 HydrophobicContact CD2-CE1 4.48Å; W85-Y273 AromaticContact CE2-CD1 3.59Å; W85-Y273 AromaticContact CE2-CE1 3.79Å; W85-Y273 HydrophobicContact CG-CE1 4.43Å; W85-Y273 AromaticContact CZ2-CD1 3.65Å; W85-Y273 HydrophobicContact CZ2-CD1 3.65Å; W85-Y273 HydrophobicContact CZ2-CE1 4.33Å; W85-Y273 HydrophobicContact CZ2-CG 4.19Å; W85-Y273 AromaticContact NE1-CD1 3.44Å; W85-Y273 AromaticContact NE1-CE1 3.23Å; W85-Y273 AromaticContact NE1-CZ 3.84Å | ||
| 86 | R | 96.7 | Very high | 94.5 | Very high | 160 Ų | 160 | 57.4 Ų | 57.4 | 60% | 0.604 | 31% | 0.312 | S | S | * | . | trans | -133 | 150.4 | 176 | -67 | -173.7 | 176.8 | -136.9 | 10.6 | 109.5 | G84 E93 F105 | G84-R86 PolarHBondContact O-N 3.14Å; R86-E93 IonicContact CZ-OE1 3.08Å; R86-E93 IonicContact NH1-OE1 2.88Å; R86-E93 PolarHBondContact NH1-OE1 3.07Å; R86-E93 VanDerWaalsContact NH1-OE1 3.08Å; R86-E93 IonicContact NH1-OE2 3.61Å; R86-F105 HydrophobicContact CG-CD2 4.15Å; R86-F105 HydrophobicContact CG-CE2 4.48Å | ||
| 87 | P | 95 | Very high | 94.7 | Very high | 10 Ų | 10 | 55 Ų | 55 | 7% | 0.065 | 30% | 0.296 | C | S | . | . | trans | -66.2 | 152.4 | 173.2 | 30.3 | -35.5 | 0 | 0 | 0 | 111 | W85 D89 A92 E93 L96 | W85-P87 HydrophobicContact CH2-CB 4.06Å; W85-P87 HydrophobicContact CZ3-CB 4.44Å; P87-D89 VanDerWaalsContact C-N 3.28Å; P87-D89 WeakPolarHBondContact CG-O 3.33Å; P87-D89 PolarHBondContact O-N 3.1Å; P87-A92 HydrophobicContact CB-CB 3.85Å; P87-A92 HydrophobicContact CG-CB 3.93Å; P87-E93 HydrophobicContact CG-CG 3.7Å; P87-L96 HydrophobicContact CB-CD1 4.17Å; P87-L96 HydrophobicContact CG-CD1 4.05Å | ||
| 88 | C | 92.3 | Very high | 95 | Very high | 117 Ų | 117 | 59.5 Ų | 59.5 | 79% | 0.791 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -65 | -34.5 | 176.2 | -57 | 0 | 0 | 0 | 0 | 112.3 | P90 | C88-P90 WeakPolarHBondContact O-CD 3.38Š|
| 89 | D | 92.7 | Very high | 95.1 | Very high | 81 Ų | 81 | 59.8 Ų | 59.8 | 43% | 0.433 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -94.7 | 112.3 | 170.8 | 171.1 | 18.4 | 0 | 0 | 0 | 109.5 | P87 S91 A92 | P87-D89 VanDerWaalsContact C-N 3.28Å; P87-D89 WeakPolarHBondContact CG-O 3.33Å; P87-D89 PolarHBondContact O-N 3.1Å; D89-S91 VanDerWaalsContact CG-OG 3.25Å; D89-S91 PolarHBondContact O-N 2.63Å; D89-S91 VanDerWaalsContact O-N 3.15Å; D89-S91 VanDerWaalsContact OD1-CB 3.29Å; D89-S91 WeakPolarHBondContact OD1-CB 3.49Å; D89-S91 PolarHBondContact OD1-N 3.2Å; D89-S91 PolarHBondContact OD1-OG 2.91Å; D89-S91 PolarHBondContact OD2-OG 3.21Å; D89-A92 VanDerWaalsContact O-CB 3.3Å; D89-A92 WeakPolarHBondContact O-CB 3.44Å; D89-A92 PolarHBondContact O-N 3.36Å |
| 90 | P | 93.8 | Very high | 95.1 | Very high | 92 Ų | 92 | 65.2 Ų | 65.2 | 60% | 0.597 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -58.2 | -25.6 | 178.3 | -25.2 | 35.3 | 0 | 0 | 0 | 113.9 | C88 A92 E93 | C88-P90 WeakPolarHBondContact O-CD 3.38Å; P90-A92 PolarHBondContact O-N 2.72Å; P90-A92 VanDerWaalsContact O-N 3.16Å; P90-E93 WeakPolarHBondContact O-CB 3.41Å; P90-E93 WeakPolarHBondContact O-CG 3.32Å; P90-E93 PolarHBondContact O-N 2.86Å |
| 91 | S | 94 | Very high | 94.9 | Very high | 60 Ų | 60 | 66.1 Ų | 66.1 | 42% | 0.42 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -62.8 | -24 | 178.1 | 93.5 | 0 | 0 | 0 | 0 | 112.5 | D89 E93 | D89-S91 VanDerWaalsContact CG-OG 3.25Å; D89-S91 PolarHBondContact O-N 2.63Å; D89-S91 VanDerWaalsContact O-N 3.15Å; D89-S91 VanDerWaalsContact OD1-CB 3.29Å; D89-S91 WeakPolarHBondContact OD1-CB 3.49Å; D89-S91 PolarHBondContact OD1-N 3.2Å; D89-S91 PolarHBondContact OD1-OG 2.91Å; D89-S91 PolarHBondContact OD2-OG 3.21Å; S91-E93 VanDerWaalsContact C-N 3.3Å; S91-E93 PolarHBondContact O-N 3.42Å |
| 92 | A | 94.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -72.2 | -20.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | P87 D89 P90 Q94 K95 L96 Y284 | P87-A92 HydrophobicContact CB-CB 3.85Å; P87-A92 HydrophobicContact CG-CB 3.93Å; D89-A92 VanDerWaalsContact O-CB 3.3Å; D89-A92 WeakPolarHBondContact O-CB 3.44Å; D89-A92 PolarHBondContact O-N 3.36Å; P90-A92 PolarHBondContact O-N 2.72Å; P90-A92 VanDerWaalsContact O-N 3.16Å; A92-Q94 PolarHBondContact O-N 3Å; A92-K95 PolarHBondContact O-N 2.77Å; A92-L96 WeakPolarHBondContact O-CG 3.48Å; A92-L96 PolarHBondContact O-N 3.18Å; A92-Y284 HydrophobicContact CB-CE1 4.13Å; A92-Y284 HydrophobicContact CB-CE2 4.41Å; A92-Y284 WeakPolarHBondContact CB-OH 3.41Å |
| 93 | E | 94.9 | Very high | 94.9 | Very high | 47 Ų | 47 | 71.6 Ų | 71.6 | 22% | 0.22 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -54.8 | -38.7 | -179.1 | -70.3 | -169.1 | 169.6 | 0 | 0 | 111.7 | R86 P87 P90 S91 K95 L96 F105 | R86-E93 IonicContact CZ-OE1 3.08Å; R86-E93 IonicContact NH1-OE1 2.88Å; R86-E93 PolarHBondContact NH1-OE1 3.07Å; R86-E93 VanDerWaalsContact NH1-OE1 3.08Å; R86-E93 IonicContact NH1-OE2 3.61Å; P87-E93 HydrophobicContact CG-CG 3.7Å; P90-E93 WeakPolarHBondContact O-CB 3.41Å; P90-E93 WeakPolarHBondContact O-CG 3.32Å; P90-E93 PolarHBondContact O-N 2.86Å; S91-E93 VanDerWaalsContact C-N 3.3Å; S91-E93 PolarHBondContact O-N 3.42Å; E93-K95 PolarHBondContact O-N 2.57Å; E93-L96 PolarHBondContact O-N 2.8Å; E93-F105 HydrophobicContact CB-CE1 3.84Å; E93-F105 HydrophobicContact CB-CE2 3.95Å; E93-F105 HydrophobicContact CB-CZ 3.53Å; E93-F105 HydrophobicContact CG-CD2 3.99Å; E93-F105 HydrophobicContact CG-CE1 4.27Å; E93-F105 HydrophobicContact CG-CE2 3.48Å; E93-F105 VanDerWaalsContact CG-CE2 3.48Å; E93-F105 HydrophobicContact CG-CZ 3.64Å; E93-F105 WeakPolarHBondContact O-CE1 3.41Å; E93-F105 WeakPolarHBondContact OE1-CE2 3.46Å |
| 94 | Q | 93.7 | Very high | 94.9 | Very high | 173 Ų | 173 | 66.9 Ų | 66.9 | 81% | 0.808 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -66.3 | -20.3 | 178.8 | -61.1 | -179.1 | 6.5 | 0 | 0 | 113.9 | A92 | A92-Q94 PolarHBondContact O-N 3Š|
| 95 | K | 95.5 | Very high | 95 | Very high | 84 Ų | 84 | 66.3 Ų | 66.3 | 37% | 0.365 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -98.4 | -5.1 | -178.6 | -58 | 172.6 | -174.3 | 162 | 0 | 112.2 | A92 E93 Y284 T287 L288 | A92-K95 PolarHBondContact O-N 2.77Å; E93-K95 PolarHBondContact O-N 2.57Å; K95-Y284 HydrophobicContact CB-CD1 4.12Å; K95-Y284 HydrophobicContact CB-CD2 4.33Å; K95-Y284 HydrophobicContact CB-CG 3.88Å; K95-Y284 HydrophobicContact CD-CD2 3.65Å; K95-Y284 HydrophobicContact CD-CE2 4.13Å; K95-Y284 HydrophobicContact CD-CG 4.06Å; K95-T287 VanDerWaalsContact O-CG2 3.27Å; K95-T287 WeakPolarHBondContact O-CG2 3.47Å; K95-L288 HydrophobicContact CB-CD2 4Å; K95-L288 HydrophobicContact CG-CD2 4.23Å |
| 96 | L | 96.4 | Very high | 95 | Very high | 11 Ų | 11 | 66.1 Ų | 66.1 | 6% | 0.058 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -109 | 157.6 | -174.9 | -66.4 | 178.3 | 0 | 0 | 0 | 112 | W85 P87 A92 E93 F105 P108 Y284 T287 | W85-L96 HydrophobicContact CH2-CD1 4.3Å; W85-L96 HydrophobicContact CZ3-CD1 3.93Å; P87-L96 HydrophobicContact CB-CD1 4.17Å; P87-L96 HydrophobicContact CG-CD1 4.05Å; A92-L96 WeakPolarHBondContact O-CG 3.48Å; A92-L96 PolarHBondContact O-N 3.18Å; E93-L96 PolarHBondContact O-N 2.8Å; L96-F105 HydrophobicContact CB-CB 4.27Å; L96-F105 HydrophobicContact CB-CD1 3.9Å; L96-F105 HydrophobicContact CB-CG 4.44Å; L96-F105 HydrophobicContact CD1-CB 4.23Å; L96-P108 HydrophobicContact CD2-CG 4.3Å; L96-Y284 HydrophobicContact CD2-CD1 3.66Å; L96-Y284 HydrophobicContact CD2-CE1 3.75Å; L96-Y284 HydrophobicContact CG-CD1 4.31Å; L96-Y284 HydrophobicContact CG-CE1 4.16Å; L96-T287 HydrophobicContact CD2-CG2 4.25Å |
| 97 | Q | 95.5 | Very high | 95 | Very high | 15 Ų | 15 | 58.6 Ų | 58.6 | 7% | 0.07 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 135.1 | 174.1 | -69.6 | 170.7 | 58.9 | 0 | 0 | 109.9 | K106 T287 I291 | Q97-K106 HydrophobicContact CB-CD 4.23Å; Q97-K106 WeakPolarHBondContact O-CB 3.25Å; Q97-K106 PolarHBondContact O-N 3.3Å; Q97-T287 HydrophobicContact CG-CG2 4.33Å; Q97-I291 HydrophobicContact CG-CD1 4.01Å; Q97-I291 HydrophobicContact CG-CG1 3.59Å |
| 98 | F | 95.8 | Very high | 95.1 | Very high | 95 Ų | 95 | 58.3 Ų | 58.3 | 42% | 0.417 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 147.6 | 173.1 | -163.6 | -100.5 | 0 | 0 | 0 | 111.7 | N100 R103 F105 | F98-N100 WeakPolarHBondContact CD1-OD1 3.46Å; F98-R103 VanDerWaalsContact CZ-C 3.48Å; F98-F105 HydrophobicContact CB-CD1 4.39Å; F98-F105 HydrophobicContact CB-CE1 4.38Å; F98-F105 HydrophobicContact CD2-CD1 4Å; F98-F105 HydrophobicContact CD2-CD2 4.12Å; F98-F105 AromaticContact CD2-CE1 3.93Å; F98-F105 HydrophobicContact CD2-CE1 3.93Å; F98-F105 HydrophobicContact CD2-CE2 4.05Å; F98-F105 HydrophobicContact CD2-CG 4.1Å; F98-F105 AromaticContact CD2-CZ 3.95Å; F98-F105 HydrophobicContact CD2-CZ 3.95Å; F98-F105 HydrophobicContact CE2-CD2 4.43Å; F98-F105 HydrophobicContact CE2-CE2 4.29Å |
| 99 | C | 96.4 | Very high | 95.3 | Very high | 6 Ų | 6 | 53 Ų | 53 | 4% | 0.041 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 105.8 | 173 | -172.8 | 0 | 0 | 0 | 0 | 110 | V101 C102 R103 G104 K106 H112 | C99-V101 VanDerWaalsContact C-N 3.31Å; C99-V101 PolarHBondContact O-N 2.91Å; C99-C102 HydrophobicContact CB-CB 4.2Å; C99-C102 PolarHBondContact O-N 3.26Å; C99-R103 WeakPolarHBondContact O-CA 3.39Å; C99-R103 PolarHBondContact O-N 3.35Å; C99-G104 WeakPolarHBondContact CB-O 3.3Å; C99-G104 PolarHBondContact N-O 3.29Å; C99-G104 PolarHBondContact O-N 2.83Å; C99-K106 HydrophobicContact CB-CD 4.48Å; C99-K106 VanDerWaalsContact CB-CE 3.48Å; C99-K106 HydrophobicContact CB-CG 4.11Å; C99-H112 PolarHBondContact SG-ND1 3.2Å |
| 100 | N | 94 | Very high | 95.6 | Very high | 118 Ų | 118 | 49.4 Ų | 49.4 | 63% | 0.631 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -42.5 | -179.7 | -58.7 | 0.1 | 0 | 0 | 0 | 111.9 | F98 C102 R103 | F98-N100 WeakPolarHBondContact CD1-OD1 3.46Å; N100-C102 PolarHBondContact O-N 2.86Å; N100-R103 WeakPolarHBondContact O-CG 3.26Å; N100-R103 PolarHBondContact O-N 3.15Å; N100-R103 VanDerWaalsContact O-N 3.17Å |
| 101 | V | 92 | Very high | 95.8 | Very high | 82 Ų | 82 | 45.9 Ų | 45.9 | 50% | 0.497 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -42.2 | -179.5 | -178.1 | 0 | 0 | 0 | 0 | 112.4 | C99 R103 N117 | C99-V101 VanDerWaalsContact C-N 3.31Å; C99-V101 PolarHBondContact O-N 2.91Å; V101-R103 VanDerWaalsContact C-N 3.34Å; V101-N117 WeakPolarHBondContact CG1-OD1 3.44Å |
| 102 | C | 94.4 | Very high | 95.9 | Very high | 7 Ų | 7 | 44.9 Ų | 44.9 | 5% | 0.047 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -1.7 | 178.3 | -60.8 | 0 | 0 | 0 | 0 | 113.4 | L83 G84 C99 N100 G104 H112 C119 | L83-C102 HydrophobicContact CD2-CB 3.99Å; G84-C102 PolarHBondContact N-O 2.84Å; C99-C102 HydrophobicContact CB-CB 4.2Å; C99-C102 PolarHBondContact O-N 3.26Å; N100-C102 PolarHBondContact O-N 2.86Å; C102-G104 PolarHBondContact O-N 2.99Å; C102-H112 PolarHBondContact SG-ND1 3.12Å; C102-H112 VanDerWaalsContact SG-ND1 3.41Å; C102-C119 PolarHBondContact SG-N 3.15Å; C102-C119 VanDerWaalsContact SG-N 3.41Å |
| 103 | R | 96.6 | Very high | 96 | Very high | 171 Ų | 171 | 45.2 Ų | 45.2 | 65% | 0.645 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49 | 37.1 | -175.6 | -61.4 | -177.5 | 172.3 | 177.7 | -5.9 | 114.2 | G84 F98 C99 N100 V101 D369 | G84-R103 WeakPolarHBondContact CA-O 3.3Å; F98-R103 VanDerWaalsContact CZ-C 3.48Å; C99-R103 WeakPolarHBondContact O-CA 3.39Å; C99-R103 PolarHBondContact O-N 3.35Å; N100-R103 WeakPolarHBondContact O-CG 3.26Å; N100-R103 PolarHBondContact O-N 3.15Å; N100-R103 VanDerWaalsContact O-N 3.17Å; V101-R103 VanDerWaalsContact C-N 3.34Å; R103-D369 IonicContact NH2-OD2 3.9Å; R103-D369 PolarHBondContact NH2-OD2 3.04Å |
| 104 | G | 96.2 | Very high | 95.9 | Very high | 4 Ų | 4 | 50.6 Ų | 50.6 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 167.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | W85 C99 C102 | W85-G104 CarbonylContact O-C 3.45Å; W85-G104 WeakPolarHBondContact O-CA 3.2Å; C99-G104 WeakPolarHBondContact CB-O 3.3Å; C99-G104 PolarHBondContact N-O 3.29Å; C99-G104 PolarHBondContact O-N 2.83Å; C102-G104 PolarHBondContact O-N 2.99Å |
| 105 | F | 97.3 | Very high | 95.7 | Very high | 26 Ų | 26 | 46 Ų | 46 | 11% | 0.114 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 151 | 174.7 | -67.2 | -85.7 | 0 | 0 | 0 | 110.8 | W85 R86 E93 L96 F98 P107 | W85-F105 HydrophobicContact CE3-CB 4.06Å; W85-F105 HydrophobicContact CZ3-CB 4.06Å; W85-F105 PolarHBondContact O-N 3.48Å; R86-F105 HydrophobicContact CG-CD2 4.15Å; R86-F105 HydrophobicContact CG-CE2 4.48Å; E93-F105 HydrophobicContact CB-CE1 3.84Å; E93-F105 HydrophobicContact CB-CE2 3.95Å; E93-F105 HydrophobicContact CB-CZ 3.53Å; E93-F105 HydrophobicContact CG-CD2 3.99Å; E93-F105 HydrophobicContact CG-CE1 4.27Å; E93-F105 HydrophobicContact CG-CE2 3.48Å; E93-F105 VanDerWaalsContact CG-CE2 3.48Å; E93-F105 HydrophobicContact CG-CZ 3.64Å; E93-F105 WeakPolarHBondContact O-CE1 3.41Å; E93-F105 WeakPolarHBondContact OE1-CE2 3.46Å; L96-F105 HydrophobicContact CB-CB 4.27Å; L96-F105 HydrophobicContact CB-CD1 3.9Å; L96-F105 HydrophobicContact CB-CG 4.44Å; L96-F105 HydrophobicContact CD1-CB 4.23Å; F98-F105 HydrophobicContact CB-CD1 4.39Å; F98-F105 HydrophobicContact CB-CE1 4.38Å; F98-F105 HydrophobicContact CD2-CD1 4Å; F98-F105 HydrophobicContact CD2-CD2 4.12Å; F98-F105 AromaticContact CD2-CE1 3.93Å; F98-F105 HydrophobicContact CD2-CE1 3.93Å; F98-F105 HydrophobicContact CD2-CE2 4.05Å; F98-F105 HydrophobicContact CD2-CG 4.1Å; F98-F105 AromaticContact CD2-CZ 3.95Å; F98-F105 HydrophobicContact CD2-CZ 3.95Å; F98-F105 HydrophobicContact CE2-CD2 4.43Å; F98-F105 HydrophobicContact CE2-CE2 4.29Å; F105-P107 WeakPolarHBondContact O-CD 3.38Å |
| 106 | K | 97.5 | Very high | 95.5 | Very high | 29 Ų | 29 | 43.4 Ų | 43.4 | 13% | 0.126 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 117.1 | 171.8 | -61.5 | 178.8 | -171.1 | 174.3 | 0 | 107.5 | Q97 C99 A110 | Q97-K106 HydrophobicContact CB-CD 4.23Å; Q97-K106 WeakPolarHBondContact O-CB 3.25Å; Q97-K106 PolarHBondContact O-N 3.3Å; C99-K106 HydrophobicContact CB-CD 4.48Å; C99-K106 VanDerWaalsContact CB-CE 3.48Å; C99-K106 HydrophobicContact CB-CG 4.11Å; K106-A110 HydrophobicContact CB-CB 4.39Å |
| 107 | P | 97 | Very high | 95.4 | Very high | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.013 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -53.7 | 159.9 | 170.4 | -22.3 | 29.7 | 0 | 0 | 0 | 111.7 | V81 W85 F105 R109 A110 Y273 | V81-P107 HydrophobicContact CG1-CG 3.96Å; V81-P107 HydrophobicContact CG2-CG 4.06Å; W85-P107 HydrophobicContact CD2-CG 3.78Å; W85-P107 HydrophobicContact CE3-CG 3.7Å; W85-P107 HydrophobicContact CH2-CB 3.95Å; W85-P107 HydrophobicContact CH2-CG 3.83Å; W85-P107 HydrophobicContact CZ2-CB 4.23Å; W85-P107 HydrophobicContact CZ2-CG 3.9Å; W85-P107 HydrophobicContact CZ3-CB 4.15Å; W85-P107 HydrophobicContact CZ3-CG 3.73Å; F105-P107 WeakPolarHBondContact O-CD 3.38Å; P107-R109 PolarHBondContact O-N 3.37Å; P107-A110 HydrophobicContact CB-CB 4.25Å; P107-A110 HydrophobicContact CG-CB 4.33Å; P107-A110 WeakPolarHBondContact O-CB 3.44Å; P107-A110 PolarHBondContact O-N 3.36Å; P107-Y273 HydrophobicContact CB-CD1 3.85Å; P107-Y273 HydrophobicContact CG-CD1 3.52Å; P107-Y273 HydrophobicContact CG-CE1 3.91Å |
| 108 | P | 96.9 | Very high | 95.4 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.2 | 134.8 | 169.9 | -28 | 35.3 | 0 | 0 | 0 | 112 | L96 A110 Y273 W275 Q283 Y284 | L96-P108 HydrophobicContact CD2-CG 4.3Å; P108-A110 PolarHBondContact O-N 3.2Å; P108-Y273 WeakPolarHBondContact CD-O 3.37Å; P108-W275 PolarHBondContact O-NE1 2.78Å; P108-W275 VanDerWaalsContact O-NE1 3.16Å; P108-Q283 WeakPolarHBondContact CB-O 3.46Å; P108-Q283 HydrophobicContact CG-CB 4.31Å; P108-Y284 HydrophobicContact CG-CD1 4.18Å; P108-Y284 HydrophobicContact CG-CE1 4.07Å |
| 109 | R | 97.3 | Very high | 95.5 | Very high | 7 Ų | 7 | 46 Ų | 46 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | 0.6 | -177.8 | -43.8 | -179.2 | 68.9 | 171.2 | 8.9 | 115.8 | P107 K122 M123 N221 E226 Y248 Y250 | P107-R109 PolarHBondContact O-N 3.37Å; R109-K122 HydrophobicContact CB-CB 4.47Å; R109-K122 VanDerWaalsContact O-CA 3.25Å; R109-K122 WeakPolarHBondContact O-CA 3.4Å; R109-K122 PolarHBondContact O-N 2.78Å; R109-M123 PolarHBondContact O-N 3.29Å; R109-N221 PolarHBondContact NH1-OD1 3.31Å; R109-N221 VanDerWaalsContact NH1-OD1 3.16Å; R109-N221 PolarHBondContact NH2-O 3.25Å; R109-N221 PolarHBondContact NH2-OD1 3.35Å; R109-E226 VanDerWaalsContact CB-OE1 3.3Å; R109-E226 WeakPolarHBondContact CB-OE1 3.48Å; R109-E226 VanDerWaalsContact CG-OE1 3.25Å; R109-E226 WeakPolarHBondContact CG-OE1 3.46Å; R109-E226 IonicContact CZ-OE1 3.41Å; R109-E226 IonicContact CZ-OE2 2.76Å; R109-E226 IonicContact NE-OE1 3.47Å; R109-E226 PolarHBondContact NE-OE1 3.39Å; R109-E226 IonicContact NE-OE2 3.48Å; R109-E226 IonicContact NH2-OE1 2.7Å; R109-E226 PolarHBondContact NH2-OE1 3.27Å; R109-E226 IonicContact NH2-OE2 3.62Å; R109-E226 PolarHBondContact NH2-OE2 2.9Å; R109-Y248 PolarHBondContact NH2-OH 3.38Å; R109-Y250 HydrophobicContact CG-CD2 4.09Å; R109-Y250 HydrophobicContact CG-CE1 4.43Å; R109-Y250 HydrophobicContact CG-CE2 3.43Å; R109-Y250 VanDerWaalsContact CG-CE2 3.43Å |
| 110 | A | 97.8 | Very high | 95.6 | Very high | 5 Ų | 5 | 45.7 Ų | 45.7 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | trans | -86.6 | 141.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V81 K106 P107 P108 I120 | V81-A110 HydrophobicContact CG2-CB 4.15Å; K106-A110 HydrophobicContact CB-CB 4.39Å; P107-A110 HydrophobicContact CB-CB 4.25Å; P107-A110 HydrophobicContact CG-CB 4.33Å; P107-A110 WeakPolarHBondContact O-CB 3.44Å; P107-A110 PolarHBondContact O-N 3.36Å; P108-A110 PolarHBondContact O-N 3.2Å; A110-I120 WeakPolarHBondContact CA-O 3.29Å; A110-I120 WeakPolarHBondContact CB-O 3.49Å | ||
| 111 | H | 97.6 | Very high | 95.7 | Very high | 17 Ų | 17 | 40.7 Ų | 40.7 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 152.9 | 175.7 | -60.4 | -75.9 | 0 | 0 | 0 | 111.3 | C119 I120 M123 I225 Q290 | H111-C119 CarbonylContact O-C 3.41Å; H111-C119 WeakPolarHBondContact O-CA 3.48Å; H111-I120 PolarHBondContact N-O 3.22Å; H111-I120 VanDerWaalsContact N-O 3.16Å; H111-I120 PolarHBondContact O-N 2.88Å; H111-M123 HydrophobicContact CB-CB 3.9Å; H111-M123 HydrophobicContact CB-CG 4.34Å; H111-M123 HydrophobicContact CB-SD 3.66Å; H111-I225 HydrophobicContact CB-CD1 3.99Å; H111-I225 WeakPolarHBondContact NE2-CG2 3.24Å; H111-Q290 PolarHBondContact CE1-OE1 2.69Å |
| 112 | H | 96.9 | Very high | 96 | Very high | 39 Ų | 39 | 37 Ų | 37 | 18% | 0.181 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 121.7 | 176.8 | -175.6 | 93.8 | 0 | 0 | 0 | 109.4 | C99 C102 | C99-H112 PolarHBondContact SG-ND1 3.2Å; C102-H112 PolarHBondContact SG-ND1 3.12Å; C102-H112 VanDerWaalsContact SG-ND1 3.41Å |
| 113 | C | 96.1 | Very high | 96.1 | Very high | 7 Ų | 7 | 37.5 Ų | 37.5 | 5% | 0.047 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 121.3 | 171.8 | 178.4 | 0 | 0 | 0 | 0 | 109.3 | C116 N117 R118 I120 M123 C133 | C113-C116 HydrophobicContact CB-CB 4.02Å; C113-C116 PolarHBondContact O-N 2.76Å; C113-C116 PolarHBondContact SG-N 3.41Å; C113-C116 VanDerWaalsContact SG-N 3.42Å; C113-N117 WeakPolarHBondContact O-CA 3.32Å; C113-N117 PolarHBondContact O-N 3.28Å; C113-R118 PolarHBondContact N-O 3.16Å; C113-R118 PolarHBondContact O-N 2.84Å; C113-I120 HydrophobicContact CB-CG1 4.02Å; C113-M123 HydrophobicContact CB-CE 3.71Å; C113-M123 HydrophobicContact CB-SD 3.98Å; C113-C133 VanDerWaalsContact CB-SG 3.53Å; C113-C133 PolarHBondContact SG-SG 2.85Å |
| 114 | R | 92 | Very high | 96.2 | Very high | 161 Ų | 161 | 29.8 Ų | 29.8 | 61% | 0.608 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -43.3 | 176.7 | -68 | 179 | 176.1 | 171.8 | -6.1 | 112 | C116 N117 | R114-C116 PolarHBondContact O-N 2.8Å; R114-N117 PolarHBondContact O-N 3.07Å; R114-N117 VanDerWaalsContact O-N 3.09Å |
| 115 | A | 90.4 | Very high | 96.2 | Very high | 75 Ų | 75 | 32 Ų | 32 | 62% | 0.62 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -38 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N117 | A115-N117 VanDerWaalsContact C-N 3.35Š|
| 116 | C | 92.1 | Very high | 96.1 | Very high | 30 Ų | 30 | 33.5 Ų | 33.5 | 20% | 0.203 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -9.9 | 173.8 | -62.6 | 0 | 0 | 0 | 0 | 113.8 | F80 C113 R114 R118 I120 H126 C133 | F80-C116 HydrophobicContact CE1-CB 4.12Å; C113-C116 HydrophobicContact CB-CB 4.02Å; C113-C116 PolarHBondContact O-N 2.76Å; C113-C116 PolarHBondContact SG-N 3.41Å; C113-C116 VanDerWaalsContact SG-N 3.42Å; R114-C116 PolarHBondContact O-N 2.8Å; C116-R118 WeakPolarHBondContact O-CG 3.19Å; C116-R118 PolarHBondContact O-N 2.7Å; C116-I120 HydrophobicContact CB-CD1 4.37Å; C116-H126 VanDerWaalsContact SG-CE1 3.59Å; C116-H126 PolarHBondContact SG-ND1 2.81Å; C116-C133 VanDerWaalsContact SG-SG 3.65Å |
| 117 | N | 93.9 | Very high | 96.1 | Very high | 101 Ų | 101 | 32.4 Ų | 32.4 | 54% | 0.54 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 35.2 | -172.6 | -162.4 | 29.3 | 0 | 0 | 0 | 114.6 | V101 C113 R114 A115 | V101-N117 WeakPolarHBondContact CG1-OD1 3.44Å; C113-N117 WeakPolarHBondContact O-CA 3.32Å; C113-N117 PolarHBondContact O-N 3.28Å; R114-N117 PolarHBondContact O-N 3.07Å; R114-N117 VanDerWaalsContact O-N 3.09Å; A115-N117 VanDerWaalsContact C-N 3.35Å |
| 118 | R | 95.2 | Very high | 96 | Very high | 72 Ų | 72 | 34.6 Ų | 34.6 | 27% | 0.272 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 152.5 | -175.1 | -68.9 | -65 | -70.1 | -122.4 | -1.4 | 111.3 | F80 V81 C113 C116 I120 | F80-R118 HydrophobicContact CD1-CB 3.53Å; F80-R118 HydrophobicContact CD1-CG 3.94Å; F80-R118 HydrophobicContact CE1-CB 4.02Å; F80-R118 HydrophobicContact CE1-CG 4.33Å; V81-R118 PolarHBondContact O-NH2 3.06Å; C113-R118 PolarHBondContact N-O 3.16Å; C113-R118 PolarHBondContact O-N 2.84Å; C116-R118 WeakPolarHBondContact O-CG 3.19Å; C116-R118 PolarHBondContact O-N 2.7Å; R118-I120 HydrophobicContact CB-CD1 4.39Å |
| 119 | C | 97.7 | Very high | 96 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.014 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 135.4 | 164.1 | -74 | 0 | 0 | 0 | 0 | 110.6 | V81 C102 H111 | V81-C119 HydrophobicContact CB-CB 3.8Å; V81-C119 HydrophobicContact CG2-CB 3.88Å; V81-C119 PolarHBondContact N-O 2.93Å; C102-C119 PolarHBondContact SG-N 3.15Å; C102-C119 VanDerWaalsContact SG-N 3.41Å; H111-C119 CarbonylContact O-C 3.41Å; H111-C119 WeakPolarHBondContact O-CA 3.48Å |
| 120 | I | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 127 | -175.2 | -51.3 | -56.4 | 0 | 0 | 0 | 108.9 | P78 F80 A110 H111 C113 C116 R118 M123 C133 | P78-I120 HydrophobicContact CB-CG2 3.53Å; P78-I120 HydrophobicContact CG-CD1 3.87Å; P78-I120 HydrophobicContact CG-CG2 4Å; F80-I120 HydrophobicContact CD1-CD1 3.32Å; F80-I120 HydrophobicContact CE1-CD1 3.38Å; F80-I120 HydrophobicContact CG-CD1 4.42Å; A110-I120 WeakPolarHBondContact CA-O 3.29Å; A110-I120 WeakPolarHBondContact CB-O 3.49Å; H111-I120 PolarHBondContact N-O 3.22Å; H111-I120 VanDerWaalsContact N-O 3.16Å; H111-I120 PolarHBondContact O-N 2.88Å; C113-I120 HydrophobicContact CB-CG1 4.02Å; C116-I120 HydrophobicContact CB-CD1 4.37Å; R118-I120 HydrophobicContact CB-CD1 4.39Å; I120-M123 HydrophobicContact CB-CB 3.91Å; I120-M123 HydrophobicContact CB-CG 4Å; I120-M123 HydrophobicContact CB-SD 4.24Å; I120-M123 HydrophobicContact CG1-CG 4.43Å; I120-M123 HydrophobicContact CG1-SD 4.2Å; I120-M123 HydrophobicContact CG2-CB 4.09Å; I120-M123 HydrophobicContact CG2-CG 4.21Å; I120-C133 HydrophobicContact CD1-CB 4.36Å; I120-C133 HydrophobicContact CG1-CB 4.06Å; I120-C133 HydrophobicContact CG2-CB 4.1Å |
| 121 | M | 97.5 | Very high | 95.7 | Very high | 13 Ų | 13 | 41.3 Ų | 41.3 | 6% | 0.064 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 132.6 | 174.7 | -66.9 | -176.9 | -98.2 | 0 | 0 | 110.2 | G79 F80 V81 M123 H136 Y273 | G79-M121 WeakPolarHBondContact O-CB 3.3Å; G79-M121 PolarHBondContact O-N 3.46Å; F80-M121 WeakPolarHBondContact O-CE 3.03Å; V81-M121 HydrophobicContact CG2-CG 3.67Å; M121-M123 VanDerWaalsContact C-N 3.28Å; M121-M123 PolarHBondContact O-N 3.16Å; M121-H136 HydrophobicContact CB-CB 3.86Å; M121-H136 PolarHBondContact O-N 3.12Å; M121-Y273 HydrophobicContact SD-CD1 4.46Å; M121-Y273 HydrophobicContact SD-CE1 3.92Å; M121-Y273 HydrophobicContact SD-CE2 4.34Å |
| 122 | K | 97.3 | Very high | 95.6 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 2% | 0.022 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 43.8 | 53.1 | -177.9 | -166.3 | -178.6 | 171.9 | 177.1 | 0 | 112.2 | R109 D124 G135 H136 N221 T223 W275 | R109-K122 HydrophobicContact CB-CB 4.47Å; R109-K122 VanDerWaalsContact O-CA 3.25Å; R109-K122 WeakPolarHBondContact O-CA 3.4Å; R109-K122 PolarHBondContact O-N 2.78Å; K122-D124 PolarHBondContact O-N 2.67Å; K122-G135 WeakPolarHBondContact O-CA 3.25Å; K122-H136 HydrophobicContact CB-CB 4.05Å; K122-N221 PolarHBondContact NZ-OD1 3.17Å; K122-T223 HydrophobicContact CG-CG2 3.93Å; K122-W275 HydrophobicContact CB-CH2 3.63Å; K122-W275 HydrophobicContact CB-CZ2 3.76Å; K122-W275 HydrophobicContact CD-CH2 3.61Å; K122-W275 HydrophobicContact CD-CZ2 4.35Å; K122-W275 HydrophobicContact CD-CZ3 3.75Å; K122-W275 HydrophobicContact CG-CH2 4.1Å; K122-W275 HydrophobicContact CG-CZ2 4.4Å |
| 123 | M | 97.9 | Very high | 95.6 | Very high | 17 Ų | 17 | 38.7 Ų | 38.7 | 8% | 0.084 | 19% | 0.193 | C | C | . | . | trans | -64 | 128.3 | -174 | -172 | 177 | 162.4 | 0 | 0 | 110.7 | R109 H111 C113 I120 M121 T223 I225 | R109-M123 PolarHBondContact O-N 3.29Å; H111-M123 HydrophobicContact CB-CB 3.9Å; H111-M123 HydrophobicContact CB-CG 4.34Å; H111-M123 HydrophobicContact CB-SD 3.66Å; C113-M123 HydrophobicContact CB-CE 3.71Å; C113-M123 HydrophobicContact CB-SD 3.98Å; I120-M123 HydrophobicContact CB-CB 3.91Å; I120-M123 HydrophobicContact CB-CG 4Å; I120-M123 HydrophobicContact CB-SD 4.24Å; I120-M123 HydrophobicContact CG1-CG 4.43Å; I120-M123 HydrophobicContact CG1-SD 4.2Å; I120-M123 HydrophobicContact CG2-CB 4.09Å; I120-M123 HydrophobicContact CG2-CG 4.21Å; M121-M123 VanDerWaalsContact C-N 3.28Å; M121-M123 PolarHBondContact O-N 3.16Å; M123-T223 WeakPolarHBondContact O-CB 3.34Å; M123-T223 PolarHBondContact O-OG1 3.04Å; M123-T223 VanDerWaalsContact O-OG1 3.08Å; M123-I225 HydrophobicContact CB-CD1 4.1Å; M123-I225 HydrophobicContact CE-CD1 4.26Å; M123-I225 HydrophobicContact CG-CD1 3.9Å; M123-I225 HydrophobicContact SD-CD1 4.06Å | ||
| 124 | D | 97.3 | Very high | 95.7 | Very high | 9 Ų | 9 | 38.4 Ų | 38.4 | 5% | 0.048 | 19% | 0.19 | C | C | . | . | trans | -97.7 | -64.8 | 171.8 | -169.5 | 65.4 | 0 | 0 | 0 | 111.5 | K122 C134 Q214 T223 G224 | K122-D124 PolarHBondContact O-N 2.67Å; D124-C134 HydrophobicContact CB-CB 4.35Å; D124-C134 PolarHBondContact N-O 3.38Å; D124-Q214 PolarHBondContact OD2-NE2 3.34Å; D124-T223 HydrophobicContact CB-CG2 4.32Å; D124-T223 WeakPolarHBondContact OD1-CA 3.35Å; D124-T223 WeakPolarHBondContact OD1-CB 3.48Å; D124-G224 PolarHBondContact OD1-N 3.25Å | ||
| 125 | H | 96.2 | Very high | 95.9 | Very high | 50 Ų | 50 | 30.7 Ų | 30.7 | 23% | 0.231 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 166 | 175.9 | 62.1 | -76.9 | 0 | 0 | 0 | 110.9 | C133 C134 F142 | H125-C133 CarbonylContact O-C 3.59Å; H125-C133 VanDerWaalsContact O-CA 3.28Å; H125-C133 WeakPolarHBondContact O-CA 3.45Å; H125-C133 WeakPolarHBondContact O-CB 3.18Å; H125-C134 PolarHBondContact O-N 2.88Å; H125-F142 AromaticContact CE1-CE1 3.59Å; H125-F142 AromaticContact CE1-CZ 3.84Å; H125-F142 AromaticContact NE2-CE1 3.97Å; H125-F142 AromaticContact NE2-CZ 3.71Å |
| 126 | H | 96.3 | Very high | 96.2 | Very high | 58 Ų | 58 | 27.6 Ų | 27.6 | 27% | 0.269 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 125.2 | 162.6 | -173.1 | 86.8 | 0 | 0 | 0 | 108.7 | C116 | C116-H126 VanDerWaalsContact SG-CE1 3.59Å; C116-H126 PolarHBondContact SG-ND1 2.81Å |
| 127 | C | 96.4 | Very high | 96.4 | Very high | 7 Ų | 7 | 29 Ų | 29 | 5% | 0.047 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 111.6 | -177.7 | -179.8 | 0 | 0 | 0 | 0 | 109.8 | W129 I130 N131 T132 | C127-W129 PolarHBondContact O-N 2.95Å; C127-I130 HydrophobicContact CB-CD1 4.1Å; C127-I130 HydrophobicContact CB-CG1 3.69Å; C127-I130 WeakPolarHBondContact O-CG1 3.21Å; C127-I130 PolarHBondContact O-N 2.73Å; C127-N131 PolarHBondContact O-N 2.84Å; C127-N131 VanDerWaalsContact O-N 3.09Å; C127-T132 PolarHBondContact N-O 3.19Å; C127-T132 PolarHBondContact O-N 3.25Å |
| 128 | P | 95 | Very high | 96.4 | Very high | 48 Ų | 48 | 24.1 Ų | 24.1 | 31% | 0.312 | 11% | 0.113 | S | C | . | . | G | 310 helix | trans | -64 | -28.7 | -178.7 | 24.5 | -32.8 | 0 | 0 | 0 | 112.5 | H19 W20 G21 I130 N131 | H19-P128 PolarHBondContact ND1-O 3.1Å; W20-P128 HydrophobicContact CH2-CB 4.17Å; W20-P128 HydrophobicContact CH2-CG 4.43Å; W20-P128 HydrophobicContact CZ2-CB 3.74Å; W20-P128 HydrophobicContact CZ2-CG 4.35Å; G21-P128 WeakPolarHBondContact CA-O 3.31Å; P128-I130 VanDerWaalsContact C-N 3.3Å; P128-I130 PolarHBondContact O-N 3.35Å; P128-N131 PolarHBondContact O-N 3.06Å; P128-N131 VanDerWaalsContact O-N 3.12Å |
| 129 | W | 96.3 | Very high | 96.5 | Very high | 117 Ų | 117 | 21 Ų | 21 | 44% | 0.443 | 10% | 0.102 | S | C | . | . | G | 310 helix | trans | -66.9 | -24.2 | -179.9 | -58.3 | 106.6 | 0 | 0 | 0 | 114.4 | W20 G21 T25 Y70 C127 | W20-W129 HydrophobicContact CH2-CH2 4.41Å; W20-W129 HydrophobicContact CH2-CZ2 4.4Å; W20-W129 HydrophobicContact CZ3-CD2 4.5Å; W20-W129 HydrophobicContact CZ3-CE3 4.07Å; W20-W129 AromaticContact CZ3-CH2 3.83Å; W20-W129 HydrophobicContact CZ3-CH2 3.83Å; W20-W129 HydrophobicContact CZ3-CZ2 4.26Å; W20-W129 AromaticContact CZ3-CZ3 3.73Å; W20-W129 HydrophobicContact CZ3-CZ3 3.73Å; G21-W129 CarbonylContact C-O 3.6Å; T25-W129 PolarHBondContact OG1-O 3.13Å; Y70-W129 PolarHBondContact OH-O 2.78Å; C127-W129 PolarHBondContact O-N 2.95Å |
| 130 | I | 95.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -109.2 | 0.4 | 171.4 | 61.3 | 169.5 | 0 | 0 | 0 | 112.4 | Y70 V74 C127 P128 T132 C134 F142 | Y70-I130 HydrophobicContact CD2-CG2 4.11Å; Y70-I130 HydrophobicContact CE2-CG2 3.6Å; V74-I130 HydrophobicContact CG2-CB 3.82Å; V74-I130 HydrophobicContact CG2-CG2 4.08Å; C127-I130 HydrophobicContact CB-CD1 4.1Å; C127-I130 HydrophobicContact CB-CG1 3.69Å; C127-I130 WeakPolarHBondContact O-CG1 3.21Å; C127-I130 PolarHBondContact O-N 2.73Å; P128-I130 VanDerWaalsContact C-N 3.3Å; P128-I130 PolarHBondContact O-N 3.35Å; I130-T132 HydrophobicContact CB-CG2 4.34Å; I130-T132 HydrophobicContact CD1-CG2 3.62Å; I130-T132 HydrophobicContact CG1-CG2 3.82Å; I130-T132 PolarHBondContact O-N 2.7Å; I130-C134 VanDerWaalsContact CD1-SG 3.6Å; I130-F142 HydrophobicContact CD1-CD2 4.34Å |
| 131 | N | 95.1 | Very high | 96.3 | Very high | 40 Ų | 40 | 25.3 Ų | 25.3 | 21% | 0.214 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48 | 43 | -177.2 | -170.1 | 26.5 | 0 | 0 | 0 | 113.8 | R16 H19 P22 C127 P128 | R16-N131 VanDerWaalsContact CA-ND2 3.34Å; R16-N131 WeakPolarHBondContact CA-ND2 3.34Å; R16-N131 HydrophobicContact CB-CB 4.43Å; R16-N131 PolarHBondContact O-ND2 3.46Å; H19-N131 HydrophobicContact CB-CB 3.84Å; H19-N131 VanDerWaalsContact CB-CG 3.45Å; H19-N131 WeakPolarHBondContact CB-ND2 3.42Å; P22-N131 HydrophobicContact CG-CB 3.7Å; C127-N131 PolarHBondContact O-N 2.84Å; C127-N131 VanDerWaalsContact O-N 3.09Å; P128-N131 PolarHBondContact O-N 3.06Å; P128-N131 VanDerWaalsContact O-N 3.12Å |
| 132 | T | 95 | Very high | 96.3 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166 | 173 | 176.2 | -170 | 0 | 0 | 0 | 0 | 109.5 | P78 C127 I130 | P78-T132 WeakPolarHBondContact CD-OG1 3.21Å; C127-T132 PolarHBondContact N-O 3.19Å; C127-T132 PolarHBondContact O-N 3.25Å; I130-T132 HydrophobicContact CB-CG2 4.34Å; I130-T132 HydrophobicContact CD1-CG2 3.62Å; I130-T132 HydrophobicContact CG1-CG2 3.82Å; I130-T132 PolarHBondContact O-N 2.7Å |
| 133 | C | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 153.9 | 170.8 | -76.1 | 0 | 0 | 0 | 0 | 112.6 | P78 C113 C116 I120 H125 N138 | P78-C133 HydrophobicContact CB-CB 3.87Å; P78-C133 WeakPolarHBondContact CB-O 3.46Å; P78-C133 HydrophobicContact CG-CB 3.99Å; C113-C133 VanDerWaalsContact CB-SG 3.53Å; C113-C133 PolarHBondContact SG-SG 2.85Å; C116-C133 VanDerWaalsContact SG-SG 3.65Å; I120-C133 HydrophobicContact CD1-CB 4.36Å; I120-C133 HydrophobicContact CG1-CB 4.06Å; I120-C133 HydrophobicContact CG2-CB 4.1Å; H125-C133 CarbonylContact O-C 3.59Å; H125-C133 VanDerWaalsContact O-CA 3.28Å; H125-C133 WeakPolarHBondContact O-CA 3.45Å; H125-C133 WeakPolarHBondContact O-CB 3.18Å; C133-N138 PolarHBondContact O-ND2 3.25Å |
| 134 | C | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 122.8 | 156.2 | -65 | 0 | 0 | 0 | 0 | 107.7 | D124 H125 I130 N138 F142 | D124-C134 HydrophobicContact CB-CB 4.35Å; D124-C134 PolarHBondContact N-O 3.38Å; H125-C134 PolarHBondContact O-N 2.88Å; I130-C134 VanDerWaalsContact CD1-SG 3.6Å; C134-N138 WeakPolarHBondContact CA-OD1 3.16Å; C134-F142 HydrophobicContact CB-CD1 4.42Å; C134-F142 VanDerWaalsContact SG-CD2 3.54Å; C134-F142 WeakPolarHBondContact SG-CG 3.2Å |
| 135 | G | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -152.2 | -166.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | P78 K122 L137 N138 H139 | P78-G135 CarbonylContact O-C 3.54Å; P78-G135 VanDerWaalsContact O-C 3.25Å; K122-G135 WeakPolarHBondContact O-CA 3.25Å; G135-L137 VanDerWaalsContact C-N 3.33Å; G135-L137 PolarHBondContact O-N 2.7Å; G135-L137 VanDerWaalsContact O-N 3.16Å; G135-N138 PolarHBondContact N-OD1 3.36Å; G135-N138 PolarHBondContact O-N 3.47Å; G135-N138 PolarHBondContact O-OD1 2.82Å; G135-H139 VanDerWaalsContact O-CB 3.29Å; G135-H139 WeakPolarHBondContact O-CB 3.43Å; G135-H139 PolarHBondContact O-N 3.32Å | ||
| 136 | H | 96.4 | Very high | 96.3 | Very high | 9 Ų | 9 | 23.3 Ų | 23.3 | 4% | 0.042 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -42 | -53.9 | -174.6 | -175.8 | 44.5 | 0 | 0 | 0 | 114.6 | P78 M121 K122 V268 L269 G270 G272 W275 | P78-H136 PolarHBondContact O-N 2.82Å; M121-H136 HydrophobicContact CB-CB 3.86Å; M121-H136 PolarHBondContact O-N 3.12Å; K122-H136 HydrophobicContact CB-CB 4.05Å; H136-V268 WeakPolarHBondContact CE1-CG1 3.4Å; H136-V268 WeakPolarHBondContact NE2-CG1 3.3Å; H136-L269 PolarHBondContact CE1-O 3.21Å; H136-G270 PolarHBondContact NE2-O 3.47Å; H136-G272 VanDerWaalsContact CD2-CA 3.48Å; H136-G272 WeakPolarHBondContact CD2-CA 3.41Å; H136-G272 PolarHBondContact NE2-N 3.43Å; H136-W275 HydrophobicContact CB-CH2 4.3Å; H136-W275 AromaticContact CE1-CH2 3.61Å; H136-W275 AromaticContact CE1-CZ3 3.64Å; H136-W275 AromaticContact CG-CH2 3.77Å; H136-W275 AromaticContact ND1-CH2 3.3Å; H136-W275 VanDerWaalsContact ND1-CH2 3.3Å; H136-W275 WeakPolarHBondContact ND1-CH2 3.42Å; H136-W275 AromaticContact ND1-CZ3 3.62Å |
| 137 | L | 95.1 | Very high | 96.4 | Very high | 59 Ų | 59 | 23.9 Ų | 23.9 | 31% | 0.309 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -25.9 | -167.8 | -61.4 | -175.3 | 0 | 0 | 0 | 114.4 | V76 G77 P78 G135 V268 | V76-L137 HydrophobicContact CG1-CB 4.04Å; G77-L137 WeakPolarHBondContact O-CB 3.42Å; P78-L137 PolarHBondContact O-N 3.04Å; P78-L137 VanDerWaalsContact O-N 3.13Å; G135-L137 VanDerWaalsContact C-N 3.33Å; G135-L137 PolarHBondContact O-N 2.7Å; G135-L137 VanDerWaalsContact O-N 3.16Å; L137-V268 HydrophobicContact CD2-CB 4.5Å; L137-V268 HydrophobicContact CD2-CG1 4.31Å |
| 138 | N | 95.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -5.7 | -177.5 | 67.9 | -7.2 | 0 | 0 | 0 | 115.2 | A73 G77 P78 C133 C134 G135 K140 Y141 F142 | A73-N138 PolarHBondContact O-ND2 3.17Å; G77-N138 VanDerWaalsContact O-CB 3.24Å; G77-N138 WeakPolarHBondContact O-CB 3.36Å; G77-N138 PolarHBondContact O-N 2.77Å; P78-N138 WeakPolarHBondContact CA-OD1 3.16Å; C133-N138 PolarHBondContact O-ND2 3.25Å; C134-N138 WeakPolarHBondContact CA-OD1 3.16Å; G135-N138 PolarHBondContact N-OD1 3.36Å; G135-N138 PolarHBondContact O-N 3.47Å; G135-N138 PolarHBondContact O-OD1 2.82Å; N138-K140 VanDerWaalsContact C-N 3.27Å; N138-K140 PolarHBondContact O-N 3.34Å; N138-Y141 PolarHBondContact O-N 3.44Å; N138-Y141 VanDerWaalsContact O-N 3.07Å; N138-F142 PolarHBondContact O-N 2.82Å |
| 139 | H | 96 | Very high | 96.6 | Very high | 6 Ų | 6 | 24.6 Ų | 24.6 | 3% | 0.028 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -53.9 | -43.6 | -177.7 | -163.4 | 162.5 | 0 | 0 | 0 | 112 | G135 Y141 F142 L143 I261 | G135-H139 VanDerWaalsContact O-CB 3.29Å; G135-H139 WeakPolarHBondContact O-CB 3.43Å; G135-H139 PolarHBondContact O-N 3.32Å; H139-Y141 PolarHBondContact O-N 2.86Å; H139-F142 PolarHBondContact O-N 3.16Å; H139-L143 WeakPolarHBondContact O-CB 3.33Å; H139-L143 PolarHBondContact O-N 3.08Å; H139-I261 HydrophobicContact CB-CD1 4.19Å |
| 140 | K | 95.5 | Very high | 96.7 | Very high | 29 Ų | 29 | 19.7 Ų | 19.7 | 13% | 0.126 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -55.5 | -50.3 | 176.6 | 177.2 | -179.1 | 172.8 | 173.7 | 0 | 112.3 | N138 L143 I144 I261 F262 G266 | N138-K140 VanDerWaalsContact C-N 3.27Å; N138-K140 PolarHBondContact O-N 3.34Å; K140-L143 PolarHBondContact O-N 3.14Å; K140-I144 HydrophobicContact CG-CD1 4.05Å; K140-I144 WeakPolarHBondContact O-CG1 3.38Å; K140-I144 PolarHBondContact O-N 3.47Å; K140-I261 HydrophobicContact CB-CG2 4.12Å; K140-F262 HydrophobicContact CD-CD1 4.28Å; K140-F262 HydrophobicContact CG-CD1 3.89Å; K140-F262 HydrophobicContact CG-CE1 3.72Å; K140-G266 VanDerWaalsContact NZ-CA 3.31Å; K140-G266 PolarHBondContact NZ-O 3.21Å |
| 141 | Y | 96.1 | Very high | 96.8 | Very high | 63 Ų | 63 | 24.6 Ų | 24.6 | 25% | 0.247 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.3 | -39.7 | -178.1 | -56.7 | -65.1 | 0 | 0 | 0 | 111.4 | C72 V76 N138 H139 L143 I144 F145 | C72-Y141 HydrophobicContact CB-CD1 3.48Å; C72-Y141 VanDerWaalsContact CB-CD1 3.48Å; C72-Y141 HydrophobicContact CB-CD2 3.9Å; C72-Y141 HydrophobicContact CB-CE1 3.94Å; C72-Y141 HydrophobicContact CB-CE2 4.35Å; C72-Y141 HydrophobicContact CB-CG 3.45Å; C72-Y141 VanDerWaalsContact CB-CG 3.45Å; V76-Y141 HydrophobicContact CB-CD2 4.44Å; V76-Y141 HydrophobicContact CB-CE2 4.27Å; V76-Y141 HydrophobicContact CG1-CE2 4.25Å; V76-Y141 HydrophobicContact CG2-CD2 4.19Å; V76-Y141 HydrophobicContact CG2-CE2 3.78Å; N138-Y141 PolarHBondContact O-N 3.44Å; N138-Y141 VanDerWaalsContact O-N 3.07Å; H139-Y141 PolarHBondContact O-N 2.86Å; Y141-L143 VanDerWaalsContact C-N 3.33Å; Y141-L143 PolarHBondContact O-N 2.93Å; Y141-I144 PolarHBondContact O-N 3.35Å; Y141-F145 WeakPolarHBondContact O-CB 3.41Å; Y141-F145 PolarHBondContact O-N 3.08Å |
| 142 | F | 96.9 | Very high | 96.9 | Very high | 3 Ų | 3 | 23 Ų | 23 | 1% | 0.013 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.7 | -44.1 | 173.8 | -175.7 | -109.1 | 0 | 0 | 0 | 111.6 | A73 H125 I130 C134 N138 H139 F145 L146 L210 Q214 | A73-F142 HydrophobicContact CB-CB 4.35Å; H125-F142 AromaticContact CE1-CE1 3.59Å; H125-F142 AromaticContact CE1-CZ 3.84Å; H125-F142 AromaticContact NE2-CE1 3.97Å; H125-F142 AromaticContact NE2-CZ 3.71Å; I130-F142 HydrophobicContact CD1-CD2 4.34Å; C134-F142 HydrophobicContact CB-CD1 4.42Å; C134-F142 VanDerWaalsContact SG-CD2 3.54Å; C134-F142 WeakPolarHBondContact SG-CG 3.2Å; N138-F142 PolarHBondContact O-N 2.82Å; H139-F142 PolarHBondContact O-N 3.16Å; F142-F145 HydrophobicContact CD2-CD1 4.43Å; F142-F145 WeakPolarHBondContact O-CB 3.39Å; F142-F145 PolarHBondContact O-N 2.84Å; F142-L146 HydrophobicContact CD1-CD1 3.9Å; F142-L146 HydrophobicContact CD1-CG 4.3Å; F142-L146 HydrophobicContact CE1-CD1 3.46Å; F142-L146 VanDerWaalsContact CE1-CD1 3.46Å; F142-L146 HydrophobicContact CE1-CD2 4.39Å; F142-L146 HydrophobicContact CE1-CG 4.03Å; F142-L146 HydrophobicContact CE2-CD2 4.4Å; F142-L146 HydrophobicContact CZ-CD1 3.97Å; F142-L146 HydrophobicContact CZ-CD2 4.06Å; F142-L146 HydrophobicContact CZ-CG 4.17Å; F142-L146 WeakPolarHBondContact O-CG 3.21Å; F142-L146 PolarHBondContact O-N 2.96Å; F142-L210 HydrophobicContact CZ-CD2 4.38Å; F142-Q214 HydrophobicContact CE1-CG 4.42Å |
| 143 | L | 96.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -67.8 | -39.6 | 178.7 | -174 | 54.9 | 0 | 0 | 0 | 112.6 | H139 K140 Y141 F145 L146 L147 Q214 L215 V218 I261 F262 | H139-L143 WeakPolarHBondContact O-CB 3.33Å; H139-L143 PolarHBondContact O-N 3.08Å; K140-L143 PolarHBondContact O-N 3.14Å; Y141-L143 VanDerWaalsContact C-N 3.33Å; Y141-L143 PolarHBondContact O-N 2.93Å; L143-F145 VanDerWaalsContact C-N 3.3Å; L143-F145 PolarHBondContact O-N 3.24Å; L143-L146 PolarHBondContact O-N 3.33Å; L143-L147 HydrophobicContact CD1-CG 4.48Å; L143-L147 HydrophobicContact CG-CD1 4.38Å; L143-L147 VanDerWaalsContact O-CG 3.29Å; L143-L147 WeakPolarHBondContact O-CG 3.33Å; L143-L147 PolarHBondContact O-N 3.26Å; L143-Q214 HydrophobicContact CD1-CB 4.05Å; L143-L215 HydrophobicContact CD1-CD2 4.19Å; L143-L215 HydrophobicContact CD1-CG 4.37Å; L143-L215 HydrophobicContact CD2-CD2 4.43Å; L143-V218 HydrophobicContact CD2-CG2 3.79Å; L143-I261 HydrophobicContact CD2-CG2 4.35Å; L143-F262 HydrophobicContact CB-CZ 4.15Å; L143-F262 HydrophobicContact CD2-CE2 3.41Å; L143-F262 VanDerWaalsContact CD2-CE2 3.41Å; L143-F262 HydrophobicContact CD2-CZ 3.73Å; L143-F262 HydrophobicContact CG-CE2 4.09Å; L143-F262 HydrophobicContact CG-CZ 3.92Å |
| 144 | I | 96.9 | Very high | 97.1 | Very high | 30 Ų | 30 | 27.9 Ų | 27.9 | 15% | 0.154 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.7 | -44.2 | 172.6 | -65.8 | 168.3 | 0 | 0 | 0 | 110.1 | M65 K140 Y141 L146 L147 F148 F262 | M65-I144 HydrophobicContact CE-CG2 4.21Å; K140-I144 HydrophobicContact CG-CD1 4.05Å; K140-I144 WeakPolarHBondContact O-CG1 3.38Å; K140-I144 PolarHBondContact O-N 3.47Å; Y141-I144 PolarHBondContact O-N 3.35Å; I144-L146 PolarHBondContact O-N 2.94Å; I144-L147 PolarHBondContact O-N 2.77Å; I144-F148 HydrophobicContact CG2-CD2 3.66Å; I144-F148 HydrophobicContact CG2-CE2 3.96Å; I144-F148 WeakPolarHBondContact O-CD2 3.41Å; I144-F148 PolarHBondContact O-N 3.25Å; I144-F262 HydrophobicContact CD1-CE1 4.04Å; I144-F262 HydrophobicContact CG1-CE1 3.72Å; I144-F262 HydrophobicContact CG1-CZ 4.2Å |
| 145 | F | 97.9 | Very high | 97 | Very high | 17 Ų | 17 | 28.4 Ų | 28.4 | 8% | 0.075 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58 | -46.7 | 175.4 | 164.7 | -109.7 | 0 | 0 | 0 | 111.8 | T25 I29 I66 S69 Y70 Y141 F142 L143 L147 F148 A149 | T25-F145 HydrophobicContact CG2-CE2 4.42Å; T25-F145 HydrophobicContact CG2-CZ 4.03Å; I29-F145 HydrophobicContact CD1-CE2 4.39Å; I66-F145 HydrophobicContact CG2-CD2 3.96Å; I66-F145 HydrophobicContact CG2-CE2 3.93Å; S69-F145 VanDerWaalsContact OG-CA 3.26Å; S69-F145 WeakPolarHBondContact OG-CA 3.38Å; S69-F145 WeakPolarHBondContact OG-CB 3.35Å; S69-F145 PolarHBondContact OG-N 2.6Å; Y70-F145 HydrophobicContact CD2-CD2 4.12Å; Y70-F145 HydrophobicContact CD2-CE1 4.28Å; Y70-F145 AromaticContact CD2-CE2 3.87Å; Y70-F145 HydrophobicContact CD2-CE2 3.87Å; Y70-F145 HydrophobicContact CD2-CG 4.43Å; Y70-F145 AromaticContact CD2-CZ 3.95Å; Y70-F145 HydrophobicContact CD2-CZ 3.95Å; Y70-F145 HydrophobicContact CG-CD2 4.45Å; Y70-F145 HydrophobicContact CG-CE2 4.4Å; Y141-F145 WeakPolarHBondContact O-CB 3.41Å; Y141-F145 PolarHBondContact O-N 3.08Å; F142-F145 HydrophobicContact CD2-CD1 4.43Å; F142-F145 WeakPolarHBondContact O-CB 3.39Å; F142-F145 PolarHBondContact O-N 2.84Å; L143-F145 VanDerWaalsContact C-N 3.3Å; L143-F145 PolarHBondContact O-N 3.24Å; F145-L147 VanDerWaalsContact C-N 3.26Å; F145-L147 PolarHBondContact O-N 3.25Å; F145-F148 PolarHBondContact O-N 3.45Å; F145-A149 HydrophobicContact CD2-CB 4.38Å; F145-A149 HydrophobicContact CE2-CB 4.08Å; F145-A149 HydrophobicContact CZ-CB 4.5Å; F145-A149 VanDerWaalsContact O-CB 3.25Å; F145-A149 WeakPolarHBondContact O-CB 3.2Å; F145-A149 PolarHBondContact O-N 3.29Å |
| 146 | L | 98 | Very high | 97 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.1 | -26.5 | 178.2 | -67.4 | -176.1 | 0 | 0 | 0 | 114 | F142 L143 I144 P150 V207 L210 A211 Q214 | F142-L146 HydrophobicContact CD1-CD1 3.9Å; F142-L146 HydrophobicContact CD1-CG 4.3Å; F142-L146 HydrophobicContact CE1-CD1 3.46Å; F142-L146 VanDerWaalsContact CE1-CD1 3.46Å; F142-L146 HydrophobicContact CE1-CD2 4.39Å; F142-L146 HydrophobicContact CE1-CG 4.03Å; F142-L146 HydrophobicContact CE2-CD2 4.4Å; F142-L146 HydrophobicContact CZ-CD1 3.97Å; F142-L146 HydrophobicContact CZ-CD2 4.06Å; F142-L146 HydrophobicContact CZ-CG 4.17Å; F142-L146 WeakPolarHBondContact O-CG 3.21Å; F142-L146 PolarHBondContact O-N 2.96Å; L143-L146 PolarHBondContact O-N 3.33Å; I144-L146 PolarHBondContact O-N 2.94Å; L146-P150 WeakPolarHBondContact O-CD 3.31Å; L146-P150 VanDerWaalsContact O-CG 3.28Å; L146-P150 WeakPolarHBondContact O-CG 3.36Å; L146-V207 HydrophobicContact CD2-CG1 3.59Å; L146-L210 HydrophobicContact CD1-CD2 4.34Å; L146-L210 HydrophobicContact CD1-CG 3.99Å; L146-L210 HydrophobicContact CD2-CD2 3.74Å; L146-L210 HydrophobicContact CD2-CG 4.1Å; L146-A211 HydrophobicContact CB-CB 3.96Å; L146-A211 WeakPolarHBondContact O-CB 3.31Å; L146-Q214 HydrophobicContact CD1-CB 3.99Å; L146-Q214 HydrophobicContact CD1-CG 3.63Å |
| 147 | L | 97.4 | Very high | 97.1 | Very high | 71 Ų | 71 | 29 Ų | 29 | 37% | 0.372 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -83.7 | -43.7 | 177.6 | -66.7 | 171.5 | 0 | 0 | 0 | 111.8 | L143 I144 F145 L215 | L143-L147 HydrophobicContact CD1-CG 4.48Å; L143-L147 HydrophobicContact CG-CD1 4.38Å; L143-L147 VanDerWaalsContact O-CG 3.29Å; L143-L147 WeakPolarHBondContact O-CG 3.33Å; L143-L147 PolarHBondContact O-N 3.26Å; I144-L147 PolarHBondContact O-N 2.77Å; F145-L147 VanDerWaalsContact C-N 3.26Å; F145-L147 PolarHBondContact O-N 3.25Å; L147-L215 HydrophobicContact CD2-CD1 3.94Å; L147-L215 HydrophobicContact CD2-CD2 4.35Å; L147-L215 HydrophobicContact CD2-CG 4.34Å |
| 148 | F | 98.1 | Very high | 97.1 | Very high | 64 Ų | 64 | 30 Ų | 30 | 28% | 0.281 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -78.7 | -27.6 | -177.4 | -83.4 | -89.1 | 0 | 0 | 0 | 113.1 | M65 I66 I144 F145 F151 G152 | M65-F148 HydrophobicContact CB-CB 4.37Å; M65-F148 HydrophobicContact CB-CD1 3.59Å; M65-F148 HydrophobicContact CB-CD2 4.27Å; M65-F148 HydrophobicContact CB-CE1 3.84Å; M65-F148 HydrophobicContact CB-CE2 4.49Å; M65-F148 HydrophobicContact CB-CG 3.82Å; M65-F148 HydrophobicContact CB-CZ 4.29Å; M65-F148 HydrophobicContact CE-CD2 4.42Å; M65-F148 HydrophobicContact CE-CE2 3.83Å; M65-F148 HydrophobicContact CE-CZ 3.89Å; M65-F148 HydrophobicContact CG-CD1 4.11Å; M65-F148 HydrophobicContact CG-CE1 3.83Å; M65-F148 HydrophobicContact CG-CZ 4.12Å; I66-F148 WeakPolarHBondContact CD1-O 3.35Å; I66-F148 HydrophobicContact CG1-CB 3.8Å; I144-F148 HydrophobicContact CG2-CD2 3.66Å; I144-F148 HydrophobicContact CG2-CE2 3.96Å; I144-F148 WeakPolarHBondContact O-CD2 3.41Å; I144-F148 PolarHBondContact O-N 3.25Å; F145-F148 PolarHBondContact O-N 3.45Å; F148-F151 HydrophobicContact CD1-CD1 4.47Å; F148-F151 PolarHBondContact O-N 2.97Å; F148-G152 PolarHBondContact O-N 3.34Å |
| 149 | A | 98.4 | Very high | 97.1 | Very high | 5 Ų | 5 | 30.1 Ų | 30.1 | 4% | 0.041 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.5 | -48.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | I66 F145 G152 C153 V207 | I66-A149 HydrophobicContact CG1-CB 4.49Å; F145-A149 HydrophobicContact CD2-CB 4.38Å; F145-A149 HydrophobicContact CE2-CB 4.08Å; F145-A149 HydrophobicContact CZ-CB 4.5Å; F145-A149 VanDerWaalsContact O-CB 3.25Å; F145-A149 WeakPolarHBondContact O-CB 3.2Å; F145-A149 PolarHBondContact O-N 3.29Å; A149-G152 PolarHBondContact O-N 3.19Å; A149-C153 WeakPolarHBondContact O-CB 3.43Å; A149-C153 PolarHBondContact O-N 3.23Å; A149-C153 PolarHBondContact O-SG 2.85Å; A149-V207 HydrophobicContact CB-CG1 4.21Å |
| 150 | P | 98.1 | Very high | 97.1 | Very high | 14 Ų | 14 | 29.8 Ų | 29.8 | 9% | 0.091 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.6 | -39.7 | 172.6 | -22.4 | 34.6 | 0 | 0 | 0 | 112.7 | L146 C153 I154 V207 | L146-P150 WeakPolarHBondContact O-CD 3.31Å; L146-P150 VanDerWaalsContact O-CG 3.28Å; L146-P150 WeakPolarHBondContact O-CG 3.36Å; P150-C153 PolarHBondContact O-N 3.44Å; P150-I154 VanDerWaalsContact O-CG1 3.24Å; P150-I154 WeakPolarHBondContact O-CG1 3.42Å; P150-I154 PolarHBondContact O-N 2.87Å; P150-V207 HydrophobicContact CG-CB 4.15Å; P150-V207 HydrophobicContact CG-CG1 4.02Å |
| 151 | F | 97.4 | Very high | 97.1 | Very high | 103 Ų | 103 | 32.9 Ų | 32.9 | 45% | 0.452 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60.5 | -47.8 | 176.7 | 177.4 | -97.2 | 0 | 0 | 0 | 112 | S62 F148 C153 I154 T155 | S62-F151 VanDerWaalsContact OG-CD1 3.29Å; S62-F151 WeakPolarHBondContact OG-CD1 3.25Å; S62-F151 WeakPolarHBondContact OG-CE1 3.41Å; F148-F151 HydrophobicContact CD1-CD1 4.47Å; F148-F151 PolarHBondContact O-N 2.97Å; F151-C153 VanDerWaalsContact C-N 3.34Å; F151-C153 PolarHBondContact O-N 2.89Å; F151-I154 PolarHBondContact O-N 3.02Å; F151-T155 HydrophobicContact CE1-CG2 4.31Å; F151-T155 HydrophobicContact CZ-CG2 4.2Å; F151-T155 PolarHBondContact O-N 3.48Å; F151-T155 PolarHBondContact O-OG1 3.39Å |
| 152 | G | 98 | Very high | 96.9 | Very high | 6 Ų | 6 | 32.4 Ų | 32.4 | 6% | 0.062 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60 | -42.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F148 A149 I154 T155 S156 | F148-G152 PolarHBondContact O-N 3.34Å; A149-G152 PolarHBondContact O-N 3.19Å; G152-I154 PolarHBondContact O-N 3.21Å; G152-T155 WeakPolarHBondContact CA-OG1 3.28Å; G152-T155 PolarHBondContact O-N 3.16Å; G152-T155 PolarHBondContact O-OG1 3.45Å; G152-S156 WeakPolarHBondContact O-CB 3.49Å; G152-S156 PolarHBondContact O-N 3.03Å; G152-S156 PolarHBondContact O-OG 3.46Å |
| 153 | C | 98.3 | Very high | 96.7 | Very high | 8 Ų | 8 | 32.8 Ų | 32.8 | 5% | 0.054 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.7 | -38.8 | 177.6 | -68.5 | 0 | 0 | 0 | 0 | 112.9 | A149 P150 F151 S156 C157 A200 V203 A204 | A149-C153 WeakPolarHBondContact O-CB 3.43Å; A149-C153 PolarHBondContact O-N 3.23Å; A149-C153 PolarHBondContact O-SG 2.85Å; P150-C153 PolarHBondContact O-N 3.44Å; F151-C153 VanDerWaalsContact C-N 3.34Å; F151-C153 PolarHBondContact O-N 2.89Å; C153-S156 WeakPolarHBondContact O-CB 3.42Å; C153-S156 PolarHBondContact O-N 3.45Å; C153-C157 WeakPolarHBondContact O-CB 3.26Å; C153-C157 PolarHBondContact O-N 3.16Å; C153-C157 PolarHBondContact O-SG 3.46Å; C153-A200 HydrophobicContact CB-CB 4.26Å; C153-A200 WeakPolarHBondContact CB-O 3.44Å; C153-V203 WeakPolarHBondContact SG-CG1 3.22Å; C153-A204 HydrophobicContact CB-CB 3.88Å |
| 154 | I | 97.3 | Very high | 96.4 | Very high | 96 Ų | 96 | 33.9 Ų | 33.9 | 49% | 0.492 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -64.5 | -44.8 | 176.6 | -69.6 | 162.6 | 0 | 0 | 0 | 110.6 | P150 F151 G152 C157 I158 A204 | P150-I154 VanDerWaalsContact O-CG1 3.24Å; P150-I154 WeakPolarHBondContact O-CG1 3.42Å; P150-I154 PolarHBondContact O-N 2.87Å; F151-I154 PolarHBondContact O-N 3.02Å; G152-I154 PolarHBondContact O-N 3.21Å; I154-C157 WeakPolarHBondContact O-CB 3.41Å; I154-C157 PolarHBondContact O-N 2.9Å; I154-I158 WeakPolarHBondContact O-CG1 3.39Å; I154-I158 PolarHBondContact O-N 3.18Å; I154-A204 HydrophobicContact CG1-CB 4.39Å |
| 155 | T | 96.2 | Very high | 96 | Very high | 12 Ų | 12 | 40 Ų | 40 | 7% | 0.074 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.2 | -40.3 | 176.4 | 54.2 | 0 | 0 | 0 | 0 | 111.9 | C58 F151 G152 I158 A159 | C58-T155 HydrophobicContact CB-CG2 4.16Å; F151-T155 HydrophobicContact CE1-CG2 4.31Å; F151-T155 HydrophobicContact CZ-CG2 4.2Å; F151-T155 PolarHBondContact O-N 3.48Å; F151-T155 PolarHBondContact O-OG1 3.39Å; G152-T155 WeakPolarHBondContact CA-OG1 3.28Å; G152-T155 PolarHBondContact O-N 3.16Å; G152-T155 PolarHBondContact O-OG1 3.45Å; T155-I158 PolarHBondContact O-N 3.34Å; T155-A159 PolarHBondContact O-N 2.99Å |
| 156 | S | 97.4 | Very high | 95.4 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 3% | 0.028 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.8 | -44.9 | 170 | -79.4 | 0 | 0 | 0 | 0 | 113 | I32 S36 G152 C153 I158 A159 L160 | I32-S156 WeakPolarHBondContact CG2-OG 3.43Å; S36-S156 WeakPolarHBondContact CB-OG 3.42Å; S36-S156 WeakPolarHBondContact OG-CB 3.4Å; S36-S156 PolarHBondContact OG-OG 3.28Å; G152-S156 WeakPolarHBondContact O-CB 3.49Å; G152-S156 PolarHBondContact O-N 3.03Å; G152-S156 PolarHBondContact O-OG 3.46Å; C153-S156 WeakPolarHBondContact O-CB 3.42Å; C153-S156 PolarHBondContact O-N 3.45Å; S156-I158 VanDerWaalsContact C-N 3.27Å; S156-I158 PolarHBondContact O-N 3.35Å; S156-A159 PolarHBondContact O-N 3.36Å; S156-A159 VanDerWaalsContact O-N 3.14Å; S156-L160 WeakPolarHBondContact O-CB 3.42Å; S156-L160 WeakPolarHBondContact O-CG 3.45Å; S156-L160 PolarHBondContact O-N 3.09Å |
| 157 | C | 97.6 | Very high | 94.7 | Very high | 17 Ų | 17 | 43.5 Ų | 43.5 | 12% | 0.115 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57 | -41.4 | 177.3 | -74 | 0 | 0 | 0 | 0 | 111.7 | C153 I154 L160 L161 L197 | C153-C157 WeakPolarHBondContact O-CB 3.26Å; C153-C157 PolarHBondContact O-N 3.16Å; C153-C157 PolarHBondContact O-SG 3.46Å; I154-C157 WeakPolarHBondContact O-CB 3.41Å; I154-C157 PolarHBondContact O-N 2.9Å; C157-L160 PolarHBondContact O-N 3.25Å; C157-L161 VanDerWaalsContact O-CB 3.3Å; C157-L161 WeakPolarHBondContact O-CB 3.27Å; C157-L161 WeakPolarHBondContact O-CG 3.3Å; C157-L161 PolarHBondContact O-N 2.99Å; C157-L197 HydrophobicContact CB-CD1 4.12Å |
| 158 | I | 95.5 | Very high | 93.6 | Very high | 80 Ų | 80 | 42.2 Ų | 42.2 | 41% | 0.41 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.8 | -49.5 | 176.5 | -63.3 | 166.4 | 0 | 0 | 0 | 110.2 | L55 I154 T155 S156 L160 L161 L162 | L55-I158 HydrophobicContact CD1-CG2 4.39Å; L55-I158 HydrophobicContact CD2-CB 4.41Å; L55-I158 HydrophobicContact CD2-CG2 4.03Å; I154-I158 WeakPolarHBondContact O-CG1 3.39Å; I154-I158 PolarHBondContact O-N 3.18Å; T155-I158 PolarHBondContact O-N 3.34Å; S156-I158 VanDerWaalsContact C-N 3.27Å; S156-I158 PolarHBondContact O-N 3.35Å; I158-L160 PolarHBondContact O-N 2.92Å; I158-L161 PolarHBondContact O-N 3.34Å; I158-L162 HydrophobicContact CG2-CD1 4.19Å; I158-L162 VanDerWaalsContact O-CG 3.29Å; I158-L162 WeakPolarHBondContact O-CG 3.47Å; I158-L162 PolarHBondContact O-N 3.29Å |
| 159 | A | 95.2 | Very high | 92.6 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 2% | 0.017 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.7 | -42.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T40 I59 T155 S156 L162 S163 | T40-A159 WeakPolarHBondContact OG1-CB 3.42Å; I59-A159 HydrophobicContact CD1-CB 3.96Å; T155-A159 PolarHBondContact O-N 2.99Å; S156-A159 PolarHBondContact O-N 3.36Å; S156-A159 VanDerWaalsContact O-N 3.14Å; A159-L162 PolarHBondContact O-N 3Å; A159-S163 PolarHBondContact O-N 3.41Å; A159-S163 VanDerWaalsContact O-N 3.09Å |
| 160 | L | 96.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.1 | -41.3 | 179.9 | -64.4 | 168.4 | 0 | 0 | 0 | 111.7 | T35 S156 C157 I158 S163 I164 T193 A196 L197 | T35-L160 HydrophobicContact CG2-CD2 3.84Å; S156-L160 WeakPolarHBondContact O-CB 3.42Å; S156-L160 WeakPolarHBondContact O-CG 3.45Å; S156-L160 PolarHBondContact O-N 3.09Å; C157-L160 PolarHBondContact O-N 3.25Å; I158-L160 PolarHBondContact O-N 2.92Å; L160-S163 WeakPolarHBondContact O-CB 3.41Å; L160-S163 PolarHBondContact O-N 3.45Å; L160-I164 VanDerWaalsContact O-CG1 3.32Å; L160-I164 WeakPolarHBondContact O-CG1 3.48Å; L160-I164 PolarHBondContact O-N 3.41Å; L160-T193 HydrophobicContact CB-CG2 4.08Å; L160-T193 HydrophobicContact CD2-CG2 3.76Å; L160-A196 HydrophobicContact CD1-CB 3.97Å; L160-A196 HydrophobicContact CD2-CB 4.15Å; L160-L197 HydrophobicContact CB-CB 4.46Å; L160-L197 HydrophobicContact CB-CD1 4.38Å; L160-L197 HydrophobicContact CD1-CB 4.25Å |
| 161 | L | 95.3 | Very high | 90.3 | Very high | 94 Ų | 94 | 48 Ų | 48 | 49% | 0.492 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.8 | -38.7 | 175.9 | -73.5 | 169 | 0 | 0 | 0 | 112.1 | C157 I158 S163 I164 Y165 L197 | C157-L161 VanDerWaalsContact O-CB 3.3Å; C157-L161 WeakPolarHBondContact O-CB 3.27Å; C157-L161 WeakPolarHBondContact O-CG 3.3Å; C157-L161 PolarHBondContact O-N 2.99Å; I158-L161 PolarHBondContact O-N 3.34Å; L161-S163 VanDerWaalsContact C-N 3.3Å; L161-S163 PolarHBondContact O-N 3.49Å; L161-I164 PolarHBondContact O-N 3.41Å; L161-Y165 WeakPolarHBondContact O-CB 3.43Å; L161-Y165 PolarHBondContact O-N 3.18Å; L161-L197 HydrophobicContact CD2-CD1 4.4Å; L161-L197 HydrophobicContact CD2-CD2 3.85Å; L161-L197 HydrophobicContact CG-CD1 4.19Å; L161-L197 HydrophobicContact CG-CD2 4.47Å |
| 162 | L | 92.3 | Very high | 88.8 | Confident | 53 Ų | 53 | 46.9 Ų | 46.9 | 28% | 0.277 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.9 | -39.5 | 172.8 | -71 | 172.2 | 0 | 0 | 0 | 111.5 | V43 L51 L55 I158 A159 Y165 Q166 | V43-L162 HydrophobicContact CG1-CB 3.94Å; L51-L162 HydrophobicContact CD2-CD1 4.11Å; L55-L162 HydrophobicContact CD1-CD1 3.79Å; I158-L162 HydrophobicContact CG2-CD1 4.19Å; I158-L162 VanDerWaalsContact O-CG 3.29Å; I158-L162 WeakPolarHBondContact O-CG 3.47Å; I158-L162 PolarHBondContact O-N 3.29Å; A159-L162 PolarHBondContact O-N 3Å; L162-Y165 PolarHBondContact O-N 3.47Å; L162-Q166 WeakPolarHBondContact O-CG 3.49Å; L162-Q166 PolarHBondContact O-N 3Å; L162-Q166 VanDerWaalsContact O-N 3.11Å |
| 163 | S | 91.3 | Very high | 87.3 | Confident | 10 Ų | 10 | 51.1 Ų | 51.1 | 7% | 0.07 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.5 | -46.1 | 175.5 | -164 | 0 | 0 | 0 | 0 | 113 | V43 A159 L160 L161 Y165 Q166 S167 | V43-S163 VanDerWaalsContact CG2-CA 3.44Å; A159-S163 PolarHBondContact O-N 3.41Å; A159-S163 VanDerWaalsContact O-N 3.09Å; L160-S163 WeakPolarHBondContact O-CB 3.41Å; L160-S163 PolarHBondContact O-N 3.45Å; L161-S163 VanDerWaalsContact C-N 3.3Å; L161-S163 PolarHBondContact O-N 3.49Å; S163-Y165 VanDerWaalsContact C-N 3.32Å; S163-Y165 PolarHBondContact O-N 3.43Å; S163-Q166 CarbonylContact O-C 3.49Å; S163-Q166 PolarHBondContact O-N 2.98Å; S163-S167 PolarHBondContact O-N 2.86Å |
| 164 | I | 92.1 | Very high | 85.5 | Confident | 23 Ų | 23 | 54.8 Ų | 54.8 | 12% | 0.118 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.2 | -46 | 175.6 | -69 | 164.4 | 0 | 0 | 0 | 110.1 | L160 L161 Q166 S167 I170 L190 T193 L194 L197 | L160-I164 VanDerWaalsContact O-CG1 3.32Å; L160-I164 WeakPolarHBondContact O-CG1 3.48Å; L160-I164 PolarHBondContact O-N 3.41Å; L161-I164 PolarHBondContact O-N 3.41Å; I164-Q166 VanDerWaalsContact C-N 3.26Å; I164-Q166 PolarHBondContact O-N 2.96Å; I164-S167 VanDerWaalsContact O-CB 3.25Å; I164-S167 WeakPolarHBondContact O-CB 3.25Å; I164-S167 PolarHBondContact O-N 3.5Å; I164-I170 HydrophobicContact CG2-CD1 3.41Å; I164-I170 VanDerWaalsContact CG2-CD1 3.41Å; I164-L190 HydrophobicContact CG1-CD1 4.29Å; I164-T193 HydrophobicContact CD1-CG2 4.01Å; I164-T193 HydrophobicContact CG1-CG2 3.68Å; I164-L194 HydrophobicContact CD1-CD2 3.81Å; I164-L194 HydrophobicContact CG1-CD2 4.49Å; I164-L197 HydrophobicContact CD1-CD2 3.68Å |
| 165 | Y | 88.7 | Confident | 83.5 | Confident | 160 Ų | 160 | 54.8 Ų | 54.8 | 63% | 0.627 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -62.5 | -30.8 | 179.6 | -175.8 | -98.6 | 0 | 0 | 0 | 113.4 | L161 L162 S163 F171 | L161-Y165 WeakPolarHBondContact O-CB 3.43Å; L161-Y165 PolarHBondContact O-N 3.18Å; L162-Y165 PolarHBondContact O-N 3.47Å; S163-Y165 VanDerWaalsContact C-N 3.32Å; S163-Y165 PolarHBondContact O-N 3.43Å; Y165-F171 HydrophobicContact CD2-CE2 4.04Å; Y165-F171 HydrophobicContact CD2-CZ 4.47Å; Y165-F171 HydrophobicContact CE2-CE2 4.14Å; Y165-F171 HydrophobicContact CE2-CZ 4.22Å; Y165-F171 WeakPolarHBondContact O-CD2 3.34Å; Y165-F171 WeakPolarHBondContact O-CE2 3.45Å |
| 166 | Q | 84.7 | Confident | 81.5 | Confident | 85 Ų | 85 | 62.1 Ų | 62.1 | 40% | 0.397 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 1.1 | 176.7 | -65.5 | -173.7 | 2.3 | 0 | 0 | 113.5 | V43 L162 S163 I164 P168 | V43-Q166 HydrophobicContact CG1-CG 4.27Å; V43-Q166 PolarHBondContact O-OE1 3.02Å; L162-Q166 WeakPolarHBondContact O-CG 3.49Å; L162-Q166 PolarHBondContact O-N 3Å; L162-Q166 VanDerWaalsContact O-N 3.11Å; S163-Q166 CarbonylContact O-C 3.49Å; S163-Q166 PolarHBondContact O-N 2.98Å; I164-Q166 VanDerWaalsContact C-N 3.26Å; I164-Q166 PolarHBondContact O-N 2.96Å; Q166-P168 WeakPolarHBondContact O-CD 3.47Å |
| 167 | S | 83 | Confident | 79.5 | Confident | 7 Ų | 7 | 73.2 Ų | 73.2 | 5% | 0.049 | 38% | 0.376 | C | S | . | . | trans | -67.3 | 126.2 | -175.3 | -175.3 | 0 | 0 | 0 | 0 | 110.8 | S163 I164 A169 I170 F171 | S163-S167 PolarHBondContact O-N 2.86Å; I164-S167 VanDerWaalsContact O-CB 3.25Å; I164-S167 WeakPolarHBondContact O-CB 3.25Å; I164-S167 PolarHBondContact O-N 3.5Å; S167-A169 PolarHBondContact O-N 2.88Å; S167-A169 VanDerWaalsContact O-N 3.07Å; S167-A169 PolarHBondContact OG-N 2.87Å; S167-I170 PolarHBondContact O-N 3.36Å; S167-F171 PolarHBondContact O-N 3.42Å; S167-F171 VanDerWaalsContact O-N 3.14Å | ||
| 168 | P | 75.1 | Confident | 77.5 | Confident | 43 Ų | 43 | 80.6 Ų | 80.6 | 28% | 0.279 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -17.9 | 176.3 | -20.7 | 31.3 | 0 | 0 | 0 | 113.9 | Q166 F171 P172 L175 V186 | Q166-P168 WeakPolarHBondContact O-CD 3.47Å; P168-F171 CarbonylContact O-C 3.55Å; P168-P172 WeakPolarHBondContact O-CA 3.2Å; P168-L175 HydrophobicContact CB-CD2 3.35Å; P168-L175 HydrophobicContact CB-CG 3.63Å; P168-L175 HydrophobicContact CG-CD2 4.36Å; P168-V186 HydrophobicContact CB-CG1 4.49Å |
| 169 | A | 75.4 | Confident | 75.7 | Confident | 48 Ų | 48 | 84.9 Ų | 84.9 | 40% | 0.397 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -29.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S167 V186 L190 | S167-A169 PolarHBondContact O-N 2.88Å; S167-A169 VanDerWaalsContact O-N 3.07Å; S167-A169 PolarHBondContact OG-N 2.87Å; A169-V186 HydrophobicContact CB-CG1 3.92Å; A169-L190 HydrophobicContact CB-CD2 3.89Å |
| 170 | I | 74.5 | Confident | 73.9 | Confident | 77 Ų | 77 | 93.9 Ų | 93.9 | 40% | 0.395 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -37.5 | 179.9 | -59 | -173.1 | 0 | 0 | 0 | 110.6 | I164 S167 P172 L190 | I164-I170 HydrophobicContact CG2-CD1 3.41Å; I164-I170 VanDerWaalsContact CG2-CD1 3.41Å; S167-I170 PolarHBondContact O-N 3.36Å; I170-P172 WeakPolarHBondContact O-CD 3.49Å; I170-L190 HydrophobicContact CD1-CD1 4.36Å |
| 171 | F | 74.6 | Confident | 72.3 | Confident | 79 Ų | 79 | 97.8 Ų | 97.8 | 35% | 0.346 | 49% | 0.486 | S | S | . | . | trans | -122.9 | 83.6 | 177.9 | -61.9 | -76.5 | 0 | 0 | 0 | 110.8 | Y165 S167 P168 S173 L174 | Y165-F171 HydrophobicContact CD2-CE2 4.04Å; Y165-F171 HydrophobicContact CD2-CZ 4.47Å; Y165-F171 HydrophobicContact CE2-CE2 4.14Å; Y165-F171 HydrophobicContact CE2-CZ 4.22Å; Y165-F171 WeakPolarHBondContact O-CD2 3.34Å; Y165-F171 WeakPolarHBondContact O-CE2 3.45Å; S167-F171 PolarHBondContact O-N 3.42Å; S167-F171 VanDerWaalsContact O-N 3.14Å; P168-F171 CarbonylContact O-C 3.55Å; F171-S173 PolarHBondContact O-N 3.01Å; F171-L174 HydrophobicContact CB-CD1 3.87Å; F171-L174 HydrophobicContact CB-CG 4.1Å; F171-L174 WeakPolarHBondContact O-CB 3.39Å; F171-L174 PolarHBondContact O-N 3.07Å | ||
| 172 | P | 66.5 | Low | 71.2 | Confident | 80 Ų | 80 | 95.9 Ų | 95.9 | 52% | 0.519 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -56.4 | -23.3 | 178.8 | -27.3 | 35.5 | 0 | 0 | 0 | 113.9 | P168 I170 L174 L175 | P168-P172 WeakPolarHBondContact O-CA 3.2Å; I170-P172 WeakPolarHBondContact O-CD 3.49Å; P172-L174 PolarHBondContact O-N 3.26Å; P172-L175 HydrophobicContact CB-CD1 3.78Å; P172-L175 WeakPolarHBondContact O-CB 3.47Å; P172-L175 WeakPolarHBondContact O-CG 3.35Å; P172-L175 PolarHBondContact O-N 3.48Å |
| 173 | S | 65.5 | Low | 70.4 | Confident | 96 Ų | 96 | 98.7 Ų | 98.7 | 67% | 0.671 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -61.2 | -21.5 | 173.8 | 52.5 | 0 | 0 | 0 | 0 | 113.5 | F171 | F171-S173 PolarHBondContact O-N 3.01Š|
| 174 | L | 59.7 | Low | 69.9 | Low | 85 Ų | 85 | 104.5 Ų | 104.5 | 45% | 0.445 | 53% | 0.529 | S | S | . | . | G | 310 helix | trans | -79.5 | -15.5 | 172 | -61.9 | 173.7 | 0 | 0 | 0 | 113 | F171 P172 L176 R177 | F171-L174 HydrophobicContact CB-CD1 3.87Å; F171-L174 HydrophobicContact CB-CG 4.1Å; F171-L174 WeakPolarHBondContact O-CB 3.39Å; F171-L174 PolarHBondContact O-N 3.07Å; P172-L174 PolarHBondContact O-N 3.26Å; L174-L176 PolarHBondContact O-N 3.26Å; L174-R177 PolarHBondContact O-N 3.45Å |
| 175 | L | 55.9 | Low | 69.5 | Low | 96 Ų | 96 | 110.6 Ų | 110.6 | 50% | 0.503 | 56% | 0.555 | S | S | . | * | G | 310 helix | trans | -62.8 | -26.3 | -180 | -75.4 | 160.7 | 0 | 0 | 0 | 113 | P168 P172 R177 | P168-L175 HydrophobicContact CB-CD2 3.35Å; P168-L175 HydrophobicContact CB-CG 3.63Å; P168-L175 HydrophobicContact CG-CD2 4.36Å; P172-L175 HydrophobicContact CB-CD1 3.78Å; P172-L175 WeakPolarHBondContact O-CB 3.47Å; P172-L175 WeakPolarHBondContact O-CG 3.35Å; P172-L175 PolarHBondContact O-N 3.48Å; L175-R177 PolarHBondContact O-N 2.81Å |
| 176 | L | 55.1 | Low | 69.2 | Low | 166 Ų | 166 | 104.4 Ų | 104.4 | 87% | 0.869 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -67.9 | -3.9 | -176.7 | -77.1 | 163.9 | 0 | 0 | 0 | 113.9 | L174 | L174-L176 PolarHBondContact O-N 3.26Š|
| 177 | R | 55.4 | Low | 69.3 | Low | 236 Ų | 236 | 104.6 Ų | 104.6 | 89% | 0.891 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -120.7 | -2.7 | -171.9 | -135.6 | 177.2 | -175.5 | -153.9 | 0.6 | 116.4 | L174 L175 | L174-R177 PolarHBondContact O-N 3.45Å; L175-R177 PolarHBondContact O-N 2.81Å |
| 178 | R | 55.5 | Low | 69.6 | Low | 172 Ų | 172 | 106.2 Ų | 106.2 | 65% | 0.649 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -150.5 | 96.5 | -174.2 | -143.2 | 166.6 | -179 | 173.9 | -4.2 | 113.4 | H42 | H42-R178 PolarHBondContact O-NH1 2.87Å; H42-R178 VanDerWaalsContact O-NH1 3.12Å |
| 179 | F | 57 | Low | 70.3 | Confident | 170 Ų | 170 | 106.1 Ų | 106.1 | 75% | 0.746 | 55% | 0.548 | S | S | * | . | trans | 35.1 | 112.3 | 148.1 | -82.1 | -94.4 | 0 | 0 | 0 | 119.3 | S181 | F179-S181 PolarHBondContact O-N 3.03Å; F179-S181 PolarHBondContact O-OG 2.93Å; F179-S181 VanDerWaalsContact O-OG 3.04Å | ||
| 180 | Q | 57.8 | Low | 71.1 | Confident | 191 Ų | 191 | 105.2 Ų | 105.2 | 89% | 0.893 | 54% | 0.536 | S | S | * | . | 50.4 | 14.5 | 120.2 | -124.7 | 174.7 | -13.4 | 0 | 0 | 119.8 | |||||
| 181 | S | 63 | Low | 72 | Confident | 83 Ų | 83 | 107.3 Ų | 107.3 | 58% | 0.58 | 55% | 0.546 | S | S | * | . | trans | -87.9 | 133.3 | 179.4 | -56.8 | 0 | 0 | 0 | 0 | 109.2 | F179 | F179-S181 PolarHBondContact O-N 3.03Å; F179-S181 PolarHBondContact O-OG 2.93Å; F179-S181 VanDerWaalsContact O-OG 3.04Å | ||
| 182 | S | 71.3 | Confident | 73 | Confident | 53 Ų | 53 | 107.3 Ų | 107.3 | 37% | 0.371 | 55% | 0.549 | S | S | . | . | trans | -60 | 143 | 175.1 | 83.5 | 0 | 0 | 0 | 0 | 109.6 | L184 F185 V186 | S182-L184 PolarHBondContact O-N 3.17Å; S182-L184 VanDerWaalsContact O-N 3.1Å; S182-F185 PolarHBondContact O-N 2.84Å; S182-F185 WeakPolarHBondContact OG-CD2 3.45Å; S182-F185 PolarHBondContact OG-N 2.85Å; S182-V186 PolarHBondContact O-N 2.85Å | ||
| 183 | V | 76.1 | Confident | 74.4 | Confident | 112 Ų | 112 | 103.6 Ų | 103.6 | 68% | 0.679 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -52.3 | -35.1 | 176.5 | 175.8 | 0 | 0 | 0 | 0 | 111 | F185 V186 I187 | V183-F185 PolarHBondContact O-N 3.05Å; V183-V186 PolarHBondContact O-N 3.46Å; V183-I187 HydrophobicContact CG1-CD1 3.81Å; V183-I187 HydrophobicContact CG1-CG1 4.39Å; V183-I187 WeakPolarHBondContact O-CG1 3.47Å; V183-I187 PolarHBondContact O-N 3Å |
| 184 | L | 81.9 | Confident | 75.9 | Confident | 132 Ų | 132 | 102.8 Ų | 102.8 | 69% | 0.691 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.7 | -42.2 | 176.3 | -177.8 | 62.5 | 0 | 0 | 0 | 112.7 | S182 I187 A188 | S182-L184 PolarHBondContact O-N 3.17Å; S182-L184 VanDerWaalsContact O-N 3.1Å; L184-I187 PolarHBondContact O-N 3.24Å; L184-A188 VanDerWaalsContact O-CB 3.27Å; L184-A188 WeakPolarHBondContact O-CB 3.46Å; L184-A188 PolarHBondContact O-N 3.18Å |
| 185 | F | 83.4 | Confident | 77.7 | Confident | 152 Ų | 152 | 103.8 Ų | 103.8 | 67% | 0.667 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.1 | -41.2 | 177 | -74.6 | -62.8 | 0 | 0 | 0 | 111.8 | S182 V183 A188 D189 | S182-F185 PolarHBondContact O-N 2.84Å; S182-F185 WeakPolarHBondContact OG-CD2 3.45Å; S182-F185 PolarHBondContact OG-N 2.85Å; V183-F185 PolarHBondContact O-N 3.05Å; F185-A188 PolarHBondContact O-N 3.27Å; F185-D189 WeakPolarHBondContact O-CB 2.92Å; F185-D189 PolarHBondContact O-N 3.36Å |
| 186 | V | 82.5 | Confident | 79.7 | Confident | 30 Ų | 30 | 99.2 Ų | 99.2 | 18% | 0.182 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -64.7 | -42.9 | 179.2 | -177 | 0 | 0 | 0 | 0 | 111.1 | P168 A169 S182 V183 L190 | P168-V186 HydrophobicContact CB-CG1 4.49Å; A169-V186 HydrophobicContact CB-CG1 3.92Å; S182-V186 PolarHBondContact O-N 2.85Å; V183-V186 PolarHBondContact O-N 3.46Å; V186-L190 PolarHBondContact O-N 3.3Å; V186-L190 VanDerWaalsContact O-N 3.07Å |
| 187 | I | 86.3 | Confident | 81.8 | Confident | 89 Ų | 89 | 92.6 Ų | 92.6 | 46% | 0.456 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.2 | -44.7 | 176.8 | -66 | 170.6 | 0 | 0 | 0 | 110.5 | V183 L184 D189 L190 M191 | V183-I187 HydrophobicContact CG1-CD1 3.81Å; V183-I187 HydrophobicContact CG1-CG1 4.39Å; V183-I187 WeakPolarHBondContact O-CG1 3.47Å; V183-I187 PolarHBondContact O-N 3Å; L184-I187 PolarHBondContact O-N 3.24Å; I187-D189 PolarHBondContact O-N 3.3Å; I187-L190 PolarHBondContact O-N 3.28Å; I187-M191 HydrophobicContact CG2-CG 4.34Å; I187-M191 VanDerWaalsContact O-CG 3.26Å; I187-M191 WeakPolarHBondContact O-CG 3.34Å; I187-M191 PolarHBondContact O-N 3.42Å |
| 188 | A | 90 | Very high | 83.8 | Confident | 41 Ų | 41 | 83.6 Ų | 83.6 | 34% | 0.339 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L184 F185 M191 I192 | L184-A188 VanDerWaalsContact O-CB 3.27Å; L184-A188 WeakPolarHBondContact O-CB 3.46Å; L184-A188 PolarHBondContact O-N 3.18Å; F185-A188 PolarHBondContact O-N 3.27Å; A188-M191 PolarHBondContact O-N 3.29Å; A188-I192 VanDerWaalsContact O-CG1 3.31Å; A188-I192 WeakPolarHBondContact O-CG1 3.31Å; A188-I192 PolarHBondContact O-N 3.12Å |
| 189 | D | 89.6 | Confident | 85.9 | Confident | 41 Ų | 41 | 77.1 Ų | 77.1 | 22% | 0.219 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -58.9 | -51.1 | 175.1 | -177.1 | 55.2 | 0 | 0 | 0 | 111.2 | Y38 F185 I187 M191 I192 T193 | Y38-D189 VanDerWaalsContact CE1-OD1 3.23Å; Y38-D189 WeakPolarHBondContact CE1-OD1 3.28Å; F185-D189 WeakPolarHBondContact O-CB 2.92Å; F185-D189 PolarHBondContact O-N 3.36Å; I187-D189 PolarHBondContact O-N 3.3Å; D189-M191 VanDerWaalsContact C-N 3.3Å; D189-M191 PolarHBondContact O-N 3.01Å; D189-I192 PolarHBondContact O-N 3.49Å; D189-I192 VanDerWaalsContact O-N 3.11Å; D189-T193 PolarHBondContact O-N 3.22Å; D189-T193 PolarHBondContact O-OG1 3.09Å |
| 190 | L | 91.2 | Very high | 87.8 | Confident | 29 Ų | 29 | 69 Ų | 69 | 15% | 0.152 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -56.5 | -43.4 | 177 | 179.1 | 63.1 | 0 | 0 | 0 | 112.1 | I164 A169 I170 V186 I187 T193 L194 | I164-L190 HydrophobicContact CG1-CD1 4.29Å; A169-L190 HydrophobicContact CB-CD2 3.89Å; I170-L190 HydrophobicContact CD1-CD1 4.36Å; V186-L190 PolarHBondContact O-N 3.3Å; V186-L190 VanDerWaalsContact O-N 3.07Å; I187-L190 PolarHBondContact O-N 3.28Å; L190-T193 PolarHBondContact O-N 3.32Å; L190-L194 HydrophobicContact CD1-CD1 4.09Å; L190-L194 HydrophobicContact CD1-CG 4.09Å; L190-L194 HydrophobicContact CG-CD1 3.92Å; L190-L194 HydrophobicContact CG-CG 4.35Å; L190-L194 WeakPolarHBondContact O-CB 3.24Å; L190-L194 VanDerWaalsContact O-CG 3.23Å; L190-L194 WeakPolarHBondContact O-CG 3.29Å; L190-L194 PolarHBondContact O-N 2.86Å |
| 191 | M | 93.9 | Very high | 89.8 | Confident | 120 Ų | 120 | 63 Ų | 63 | 59% | 0.591 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64.5 | -40.9 | 178.3 | -69.3 | -61.8 | -71.5 | 0 | 0 | 112.2 | I187 A188 D189 F195 | I187-M191 HydrophobicContact CG2-CG 4.34Å; I187-M191 VanDerWaalsContact O-CG 3.26Å; I187-M191 WeakPolarHBondContact O-CG 3.34Å; I187-M191 PolarHBondContact O-N 3.42Å; A188-M191 PolarHBondContact O-N 3.29Å; D189-M191 VanDerWaalsContact C-N 3.3Å; D189-M191 PolarHBondContact O-N 3.01Å; M191-F195 WeakPolarHBondContact O-CB 3.49Å; M191-F195 PolarHBondContact O-N 3.29Å |
| 192 | I | 95.8 | Very high | 91.4 | Very high | 80 Ų | 80 | 60.9 Ų | 60.9 | 41% | 0.41 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 175.4 | -70.4 | 166.8 | 0 | 0 | 0 | 110.4 | F31 T35 A188 D189 F195 A196 | F31-I192 HydrophobicContact CZ-CG2 4.12Å; T35-I192 HydrophobicContact CG2-CG2 3.83Å; A188-I192 VanDerWaalsContact O-CG1 3.31Å; A188-I192 WeakPolarHBondContact O-CG1 3.31Å; A188-I192 PolarHBondContact O-N 3.12Å; D189-I192 PolarHBondContact O-N 3.49Å; D189-I192 VanDerWaalsContact O-N 3.11Å; I192-F195 PolarHBondContact O-N 3.33Å; I192-A196 WeakPolarHBondContact O-CB 3.39Å; I192-A196 PolarHBondContact O-N 2.87Å |
| 193 | T | 95.5 | Very high | 92.7 | Very high | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.012 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 177.5 | -51.7 | 0 | 0 | 0 | 0 | 111.7 | L160 I164 D189 L190 A196 L197 | L160-T193 HydrophobicContact CB-CG2 4.08Å; L160-T193 HydrophobicContact CD2-CG2 3.76Å; I164-T193 HydrophobicContact CD1-CG2 4.01Å; I164-T193 HydrophobicContact CG1-CG2 3.68Å; D189-T193 PolarHBondContact O-N 3.22Å; D189-T193 PolarHBondContact O-OG1 3.09Å; L190-T193 PolarHBondContact O-N 3.32Å; T193-A196 PolarHBondContact O-N 2.68Å; T193-L197 WeakPolarHBondContact O-CB 3.29Å; T193-L197 PolarHBondContact O-N 2.87Å |
| 194 | L | 96.5 | Very high | 93.8 | Very high | 78 Ų | 78 | 55.1 Ų | 55.1 | 41% | 0.408 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 177.1 | -74 | 172.1 | 0 | 0 | 0 | 111.8 | I164 L190 L197 G198 | I164-L194 HydrophobicContact CD1-CD2 3.81Å; I164-L194 HydrophobicContact CG1-CD2 4.49Å; L190-L194 HydrophobicContact CD1-CD1 4.09Å; L190-L194 HydrophobicContact CD1-CG 4.09Å; L190-L194 HydrophobicContact CG-CD1 3.92Å; L190-L194 HydrophobicContact CG-CG 4.35Å; L190-L194 WeakPolarHBondContact O-CB 3.24Å; L190-L194 VanDerWaalsContact O-CG 3.23Å; L190-L194 WeakPolarHBondContact O-CG 3.29Å; L190-L194 PolarHBondContact O-N 2.86Å; L194-L197 PolarHBondContact O-N 3.33Å; L194-G198 PolarHBondContact O-N 2.85Å |
| 195 | F | 98.1 | Very high | 94.5 | Very high | 106 Ų | 106 | 54.1 Ų | 54.1 | 47% | 0.465 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66 | -44 | 175.8 | -176.6 | -115.6 | 0 | 0 | 0 | 111.9 | W27 F31 M191 I192 L197 G198 L199 | W27-F195 AromaticContact CH2-CE1 3.68Å; W27-F195 HydrophobicContact CH2-CE1 3.68Å; W27-F195 AromaticContact CH2-CZ 3.86Å; W27-F195 HydrophobicContact CH2-CZ 3.86Å; W27-F195 HydrophobicContact CZ2-CE1 4.05Å; F31-F195 HydrophobicContact CD1-CD1 4.42Å; F31-F195 AromaticContact CE1-CD1 3.45Å; F31-F195 HydrophobicContact CE1-CD1 3.45Å; F31-F195 VanDerWaalsContact CE1-CD1 3.45Å; F31-F195 AromaticContact CE1-CE1 3.92Å; F31-F195 HydrophobicContact CE1-CE1 3.92Å; F31-F195 HydrophobicContact CE1-CG 4.48Å; F31-F195 AromaticContact CZ-CD1 3.54Å; F31-F195 HydrophobicContact CZ-CD1 3.54Å; F31-F195 HydrophobicContact CZ-CE1 4.07Å; M191-F195 WeakPolarHBondContact O-CB 3.49Å; M191-F195 PolarHBondContact O-N 3.29Å; I192-F195 PolarHBondContact O-N 3.33Å; F195-L197 VanDerWaalsContact C-N 3.31Å; F195-L197 PolarHBondContact O-N 3.44Å; F195-G198 PolarHBondContact O-N 2.93Å; F195-L199 HydrophobicContact CD1-CD1 4.11Å; F195-L199 HydrophobicContact CE1-CD1 3.65Å; F195-L199 HydrophobicContact CE1-CG 4.38Å; F195-L199 HydrophobicContact CE2-CG 4.47Å; F195-L199 HydrophobicContact CZ-CD1 3.9Å; F195-L199 HydrophobicContact CZ-CD2 4.41Å; F195-L199 HydrophobicContact CZ-CG 4.26Å; F195-L199 WeakPolarHBondContact O-CG 3.47Å; F195-L199 PolarHBondContact O-N 3.46Å |
| 196 | A | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.4 | -38.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F31 T35 L160 I192 T193 L199 A200 | F31-A196 HydrophobicContact CD1-CB 4.32Å; F31-A196 HydrophobicContact CE1-CB 3.78Å; T35-A196 HydrophobicContact CG2-CB 3.65Å; L160-A196 HydrophobicContact CD1-CB 3.97Å; L160-A196 HydrophobicContact CD2-CB 4.15Å; I192-A196 WeakPolarHBondContact O-CB 3.39Å; I192-A196 PolarHBondContact O-N 2.87Å; T193-A196 PolarHBondContact O-N 2.68Å; A196-L199 PolarHBondContact O-N 3.25Å; A196-A200 VanDerWaalsContact O-CB 3.31Å; A196-A200 WeakPolarHBondContact O-CB 3.26Å; A196-A200 PolarHBondContact O-N 2.96Å |
| 197 | L | 98.3 | Very high | 95.9 | Very high | 27 Ų | 27 | 50 Ų | 50 | 14% | 0.141 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64 | -46.3 | 175.5 | 178.6 | 65.2 | 0 | 0 | 0 | 110.8 | C157 L160 L161 I164 T193 L194 F195 L199 A200 V201 | C157-L197 HydrophobicContact CB-CD1 4.12Å; L160-L197 HydrophobicContact CB-CB 4.46Å; L160-L197 HydrophobicContact CB-CD1 4.38Å; L160-L197 HydrophobicContact CD1-CB 4.25Å; L161-L197 HydrophobicContact CD2-CD1 4.4Å; L161-L197 HydrophobicContact CD2-CD2 3.85Å; L161-L197 HydrophobicContact CG-CD1 4.19Å; L161-L197 HydrophobicContact CG-CD2 4.47Å; I164-L197 HydrophobicContact CD1-CD2 3.68Å; T193-L197 WeakPolarHBondContact O-CB 3.29Å; T193-L197 PolarHBondContact O-N 2.87Å; L194-L197 PolarHBondContact O-N 3.33Å; F195-L197 VanDerWaalsContact C-N 3.31Å; F195-L197 PolarHBondContact O-N 3.44Å; L197-L199 VanDerWaalsContact C-N 3.33Å; L197-L199 PolarHBondContact O-N 3.26Å; L197-A200 PolarHBondContact O-N 3.49Å; L197-V201 HydrophobicContact CD1-CG2 4.14Å; L197-V201 HydrophobicContact CG-CG2 4.45Å; L197-V201 WeakPolarHBondContact O-CG2 3.34Å; L197-V201 PolarHBondContact O-N 2.87Å |
| 198 | G | 98.3 | Very high | 96.4 | Very high | 47 Ų | 47 | 46.5 Ų | 46.5 | 49% | 0.485 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -57.6 | -44.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L194 F195 G202 | L194-G198 PolarHBondContact O-N 2.85Å; F195-G198 PolarHBondContact O-N 2.93Å; G198-G202 PolarHBondContact O-N 2.95Å |
| 199 | L | 98.5 | Very high | 96.8 | Very high | 37 Ų | 37 | 49.1 Ų | 49.1 | 19% | 0.194 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64 | -45.9 | 174.8 | -69.2 | 176.3 | 0 | 0 | 0 | 112 | W27 F31 I32 F195 A196 L197 G202 V203 | W27-L199 HydrophobicContact CH2-CD1 3.85Å; W27-L199 HydrophobicContact CZ3-CD1 4.09Å; F31-L199 HydrophobicContact CD1-CD1 3.69Å; F31-L199 HydrophobicContact CE1-CD1 4.02Å; I32-L199 HydrophobicContact CD1-CB 3.99Å; I32-L199 HydrophobicContact CG1-CB 4.13Å; F195-L199 HydrophobicContact CD1-CD1 4.11Å; F195-L199 HydrophobicContact CE1-CD1 3.65Å; F195-L199 HydrophobicContact CE1-CG 4.38Å; F195-L199 HydrophobicContact CE2-CG 4.47Å; F195-L199 HydrophobicContact CZ-CD1 3.9Å; F195-L199 HydrophobicContact CZ-CD2 4.41Å; F195-L199 HydrophobicContact CZ-CG 4.26Å; F195-L199 WeakPolarHBondContact O-CG 3.47Å; F195-L199 PolarHBondContact O-N 3.46Å; A196-L199 PolarHBondContact O-N 3.25Å; L197-L199 VanDerWaalsContact C-N 3.33Å; L197-L199 PolarHBondContact O-N 3.26Å; L199-G202 PolarHBondContact O-N 3.22Å; L199-V203 WeakPolarHBondContact O-CB 3.46Å; L199-V203 VanDerWaalsContact O-CG2 3.3Å; L199-V203 WeakPolarHBondContact O-CG2 3.33Å; L199-V203 PolarHBondContact O-N 2.99Å |
| 200 | A | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.5 | -44.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I32 C153 A196 L197 V203 A204 | I32-A200 HydrophobicContact CD1-CB 4.18Å; I32-A200 HydrophobicContact CG2-CB 4.16Å; C153-A200 HydrophobicContact CB-CB 4.26Å; C153-A200 WeakPolarHBondContact CB-O 3.44Å; A196-A200 VanDerWaalsContact O-CB 3.31Å; A196-A200 WeakPolarHBondContact O-CB 3.26Å; A196-A200 PolarHBondContact O-N 2.96Å; L197-A200 PolarHBondContact O-N 3.49Å; A200-V203 PolarHBondContact O-N 3.21Å; A200-A204 VanDerWaalsContact O-CB 3.24Å; A200-A204 WeakPolarHBondContact O-CB 3.12Å; A200-A204 PolarHBondContact O-N 3.35Å |
| 201 | V | 98.6 | Very high | 97.4 | Very high | 65 Ų | 65 | 49.1 Ų | 49.1 | 39% | 0.394 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.3 | -46.7 | 174.5 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | L197 V203 A204 L205 | L197-V201 HydrophobicContact CD1-CG2 4.14Å; L197-V201 HydrophobicContact CG-CG2 4.45Å; L197-V201 WeakPolarHBondContact O-CG2 3.34Å; L197-V201 PolarHBondContact O-N 2.87Å; V201-V203 PolarHBondContact O-N 3.3Å; V201-A204 PolarHBondContact O-N 3.07Å; V201-L205 HydrophobicContact CG1-CD1 3.93Å; V201-L205 HydrophobicContact CG1-CG 4.45Å; V201-L205 WeakPolarHBondContact O-CG 3.23Å; V201-L205 PolarHBondContact O-N 3.4Å |
| 202 | G | 98 | Very high | 97.6 | Very high | 37 Ų | 37 | 47.8 Ų | 47.8 | 38% | 0.381 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.2 | -45 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G198 L199 S206 | G198-G202 PolarHBondContact O-N 2.95Å; L199-G202 PolarHBondContact O-N 3.22Å; G202-S206 VanDerWaalsContact O-CB 3.31Å; G202-S206 WeakPolarHBondContact O-CB 3.48Å; G202-S206 PolarHBondContact O-N 3.13Å; G202-S206 PolarHBondContact O-OG 3.45Å |
| 203 | V | 98.2 | Very high | 97.7 | Very high | 25 Ų | 25 | 50.1 Ų | 50.1 | 15% | 0.152 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.3 | -46.3 | 176.4 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | I28 C153 L199 A200 V201 L205 S206 V207 | I28-V203 HydrophobicContact CG2-CG2 3.86Å; C153-V203 WeakPolarHBondContact SG-CG1 3.22Å; L199-V203 WeakPolarHBondContact O-CB 3.46Å; L199-V203 VanDerWaalsContact O-CG2 3.3Å; L199-V203 WeakPolarHBondContact O-CG2 3.33Å; L199-V203 PolarHBondContact O-N 2.99Å; A200-V203 PolarHBondContact O-N 3.21Å; V201-V203 PolarHBondContact O-N 3.3Å; V203-L205 VanDerWaalsContact C-N 3.3Å; V203-L205 PolarHBondContact O-N 3.16Å; V203-S206 PolarHBondContact O-N 3.2Å; V203-V207 HydrophobicContact CG1-CB 4.34Å; V203-V207 HydrophobicContact CG1-CG2 3.83Å; V203-V207 WeakPolarHBondContact O-CB 3.46Å; V203-V207 WeakPolarHBondContact O-CG2 3.45Å; V203-V207 PolarHBondContact O-N 3.31Å |
| 204 | A | 98 | Very high | 97.7 | Very high | 19 Ų | 19 | 50.7 Ų | 50.7 | 16% | 0.157 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.9 | -44 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | C153 I154 A200 V201 G208 | C153-A204 HydrophobicContact CB-CB 3.88Å; I154-A204 HydrophobicContact CG1-CB 4.39Å; A200-A204 VanDerWaalsContact O-CB 3.24Å; A200-A204 WeakPolarHBondContact O-CB 3.12Å; A200-A204 PolarHBondContact O-N 3.35Å; V201-A204 PolarHBondContact O-N 3.07Å; A204-G208 VanDerWaalsContact O-CA 3.26Å; A204-G208 WeakPolarHBondContact O-CA 3.47Å; A204-G208 PolarHBondContact O-N 2.88Å |
| 205 | L | 97.8 | Very high | 97.7 | Very high | 112 Ų | 112 | 49.7 Ų | 49.7 | 59% | 0.586 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -70.8 | -54.9 | 178.5 | -67.1 | 175.8 | 0 | 0 | 0 | 112 | V201 V203 I209 | V201-L205 HydrophobicContact CG1-CD1 3.93Å; V201-L205 HydrophobicContact CG1-CG 4.45Å; V201-L205 WeakPolarHBondContact O-CG 3.23Å; V201-L205 PolarHBondContact O-N 3.4Å; V203-L205 VanDerWaalsContact C-N 3.3Å; V203-L205 PolarHBondContact O-N 3.16Å; L205-I209 WeakPolarHBondContact O-CD1 3.36Å; L205-I209 VanDerWaalsContact O-CG1 3.25Å; L205-I209 WeakPolarHBondContact O-CG1 3.09Å; L205-I209 PolarHBondContact O-N 3.36Å |
| 206 | S | 97.2 | Very high | 97.7 | Very high | 71 Ų | 71 | 49.7 Ų | 49.7 | 50% | 0.497 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.2 | -49.7 | -174.4 | 58.5 | 0 | 0 | 0 | 0 | 112.4 | G202 V203 I209 L210 | G202-S206 VanDerWaalsContact O-CB 3.31Å; G202-S206 WeakPolarHBondContact O-CB 3.48Å; G202-S206 PolarHBondContact O-N 3.13Å; G202-S206 PolarHBondContact O-OG 3.45Å; V203-S206 PolarHBondContact O-N 3.2Å; S206-I209 PolarHBondContact O-N 3.05Å; S206-L210 PolarHBondContact O-N 2.98Å |
| 207 | V | 97.9 | Very high | 97.5 | Very high | 24 Ų | 24 | 50.6 Ų | 50.6 | 15% | 0.145 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -72.4 | -33.5 | 179.5 | -176.3 | 0 | 0 | 0 | 0 | 110.8 | L146 A149 P150 V203 L210 A211 | L146-V207 HydrophobicContact CD2-CG1 3.59Å; A149-V207 HydrophobicContact CB-CG1 4.21Å; P150-V207 HydrophobicContact CG-CB 4.15Å; P150-V207 HydrophobicContact CG-CG1 4.02Å; V203-V207 HydrophobicContact CG1-CB 4.34Å; V203-V207 HydrophobicContact CG1-CG2 3.83Å; V203-V207 WeakPolarHBondContact O-CB 3.46Å; V203-V207 WeakPolarHBondContact O-CG2 3.45Å; V203-V207 PolarHBondContact O-N 3.31Å; V207-L210 PolarHBondContact O-N 3.28Å; V207-A211 WeakPolarHBondContact O-CB 3.3Å; V207-A211 PolarHBondContact O-N 2.89Å |
| 208 | G | 97.4 | Very high | 97.4 | Very high | 16 Ų | 16 | 49.5 Ų | 49.5 | 17% | 0.165 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A204 L210 A211 I212 | A204-G208 VanDerWaalsContact O-CA 3.26Å; A204-G208 WeakPolarHBondContact O-CA 3.47Å; A204-G208 PolarHBondContact O-N 2.88Å; G208-L210 VanDerWaalsContact C-N 3.34Å; G208-L210 PolarHBondContact O-N 3.41Å; G208-A211 WeakPolarHBondContact O-CB 3.46Å; G208-A211 PolarHBondContact O-N 3.03Å; G208-I212 WeakPolarHBondContact O-CG1 3.35Å; G208-I212 PolarHBondContact O-N 3.26Å |
| 209 | I | 97.7 | Very high | 97.4 | Very high | 96 Ų | 96 | 48.6 Ų | 48.6 | 49% | 0.492 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 174.1 | -70.6 | 166.4 | 0 | 0 | 0 | 110.6 | L205 S206 A211 I212 F213 | L205-I209 WeakPolarHBondContact O-CD1 3.36Å; L205-I209 VanDerWaalsContact O-CG1 3.25Å; L205-I209 WeakPolarHBondContact O-CG1 3.09Å; L205-I209 PolarHBondContact O-N 3.36Å; S206-I209 PolarHBondContact O-N 3.05Å; I209-A211 VanDerWaalsContact C-N 3.33Å; I209-A211 PolarHBondContact O-N 2.68Å; I209-I212 PolarHBondContact O-N 3.07Å; I209-F213 HydrophobicContact CG2-CD2 3.82Å; I209-F213 HydrophobicContact CG2-CE2 3.42Å; I209-F213 VanDerWaalsContact CG2-CE2 3.42Å; I209-F213 HydrophobicContact CG2-CZ 4.45Å; I209-F213 WeakPolarHBondContact O-CD2 3.44Å; I209-F213 PolarHBondContact O-N 3.27Å; I209-F213 VanDerWaalsContact O-N 3.14Å |
| 210 | L | 96.8 | Very high | 97.2 | Very high | 64 Ų | 64 | 53.4 Ų | 53.4 | 34% | 0.335 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.7 | -40.3 | 176.6 | -178.5 | 59 | 0 | 0 | 0 | 112.1 | F142 L146 S206 V207 G208 I212 F213 Q214 | F142-L210 HydrophobicContact CZ-CD2 4.38Å; L146-L210 HydrophobicContact CD1-CD2 4.34Å; L146-L210 HydrophobicContact CD1-CG 3.99Å; L146-L210 HydrophobicContact CD2-CD2 3.74Å; L146-L210 HydrophobicContact CD2-CG 4.1Å; S206-L210 PolarHBondContact O-N 2.98Å; V207-L210 PolarHBondContact O-N 3.28Å; G208-L210 VanDerWaalsContact C-N 3.34Å; G208-L210 PolarHBondContact O-N 3.41Å; L210-I212 VanDerWaalsContact C-N 3.33Å; L210-I212 PolarHBondContact O-N 3.01Å; L210-F213 PolarHBondContact O-N 3.37Å; L210-Q214 HydrophobicContact CD1-CG 4.28Å; L210-Q214 WeakPolarHBondContact O-CG 3.24Å; L210-Q214 PolarHBondContact O-N 2.99Å |
| 211 | A | 97.4 | Very high | 97.2 | Very high | 6 Ų | 6 | 53.7 Ų | 53.7 | 5% | 0.05 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.8 | -42.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L146 V207 G208 I209 F213 Q214 L215 | L146-A211 HydrophobicContact CB-CB 3.96Å; L146-A211 WeakPolarHBondContact O-CB 3.31Å; V207-A211 WeakPolarHBondContact O-CB 3.3Å; V207-A211 PolarHBondContact O-N 2.89Å; G208-A211 WeakPolarHBondContact O-CB 3.46Å; G208-A211 PolarHBondContact O-N 3.03Å; I209-A211 VanDerWaalsContact C-N 3.33Å; I209-A211 PolarHBondContact O-N 2.68Å; A211-F213 PolarHBondContact O-N 2.99Å; A211-Q214 PolarHBondContact O-N 3.43Å; A211-L215 WeakPolarHBondContact O-CB 3.4Å; A211-L215 VanDerWaalsContact O-CG 3.27Å; A211-L215 WeakPolarHBondContact O-CG 3.3Å; A211-L215 PolarHBondContact O-N 2.93Å |
| 212 | I | 97.4 | Very high | 97.1 | Very high | 92 Ų | 92 | 52 Ų | 52 | 47% | 0.472 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 176.5 | -66 | 166.3 | 0 | 0 | 0 | 111.1 | G208 I209 L210 L215 K216 | G208-I212 WeakPolarHBondContact O-CG1 3.35Å; G208-I212 PolarHBondContact O-N 3.26Å; I209-I212 PolarHBondContact O-N 3.07Å; L210-I212 VanDerWaalsContact C-N 3.33Å; L210-I212 PolarHBondContact O-N 3.01Å; I212-L215 PolarHBondContact O-N 3.38Å; I212-K216 HydrophobicContact CG2-CD 4.34Å; I212-K216 WeakPolarHBondContact O-CG 3.47Å; I212-K216 PolarHBondContact O-N 2.92Å |
| 213 | F | 96.5 | Very high | 97 | Very high | 129 Ų | 129 | 50.3 Ų | 50.3 | 57% | 0.566 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -62.7 | -44.2 | 177.3 | -74.9 | -59.6 | 0 | 0 | 0 | 112.1 | I209 L210 A211 K216 A217 | I209-F213 HydrophobicContact CG2-CD2 3.82Å; I209-F213 HydrophobicContact CG2-CE2 3.42Å; I209-F213 VanDerWaalsContact CG2-CE2 3.42Å; I209-F213 HydrophobicContact CG2-CZ 4.45Å; I209-F213 WeakPolarHBondContact O-CD2 3.44Å; I209-F213 PolarHBondContact O-N 3.27Å; I209-F213 VanDerWaalsContact O-N 3.14Å; L210-F213 PolarHBondContact O-N 3.37Å; A211-F213 PolarHBondContact O-N 2.99Å; F213-K216 PolarHBondContact O-N 3.43Å; F213-A217 WeakPolarHBondContact O-CB 3.47Å; F213-A217 PolarHBondContact O-N 3.43Å |
| 214 | Q | 96.8 | Very high | 96.9 | Very high | 13 Ų | 13 | 50.9 Ų | 50.9 | 6% | 0.061 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.5 | -38.2 | 178.9 | -71.1 | -69.3 | -7.9 | 0 | 0 | 112.1 | D124 F142 L143 L146 L210 A211 K216 A217 V218 | D124-Q214 PolarHBondContact OD2-NE2 3.34Å; F142-Q214 HydrophobicContact CE1-CG 4.42Å; L143-Q214 HydrophobicContact CD1-CB 4.05Å; L146-Q214 HydrophobicContact CD1-CB 3.99Å; L146-Q214 HydrophobicContact CD1-CG 3.63Å; L210-Q214 HydrophobicContact CD1-CG 4.28Å; L210-Q214 WeakPolarHBondContact O-CG 3.24Å; L210-Q214 PolarHBondContact O-N 2.99Å; A211-Q214 PolarHBondContact O-N 3.43Å; Q214-K216 VanDerWaalsContact C-N 3.34Å; Q214-K216 PolarHBondContact O-N 2.79Å; Q214-A217 WeakPolarHBondContact O-CB 3.49Å; Q214-A217 PolarHBondContact O-N 2.87Å; Q214-V218 WeakPolarHBondContact O-CG2 3.45Å; Q214-V218 PolarHBondContact O-N 3.47Å |
| 215 | L | 96.7 | Very high | 96.8 | Very high | 57 Ų | 57 | 52 Ų | 52 | 30% | 0.298 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 172.2 | -74.4 | 172.3 | 0 | 0 | 0 | 112.2 | L143 L147 A211 I212 V218 A219 F258 | L143-L215 HydrophobicContact CD1-CD2 4.19Å; L143-L215 HydrophobicContact CD1-CG 4.37Å; L143-L215 HydrophobicContact CD2-CD2 4.43Å; L147-L215 HydrophobicContact CD2-CD1 3.94Å; L147-L215 HydrophobicContact CD2-CD2 4.35Å; L147-L215 HydrophobicContact CD2-CG 4.34Å; A211-L215 WeakPolarHBondContact O-CB 3.4Å; A211-L215 VanDerWaalsContact O-CG 3.27Å; A211-L215 WeakPolarHBondContact O-CG 3.3Å; A211-L215 PolarHBondContact O-N 2.93Å; I212-L215 PolarHBondContact O-N 3.38Å; L215-V218 PolarHBondContact O-N 2.69Å; L215-A219 WeakPolarHBondContact O-CB 3.2Å; L215-A219 PolarHBondContact O-N 3.37Å; L215-F258 HydrophobicContact CD2-CE1 4.34Å |
| 216 | K | 96.6 | Very high | 96.8 | Very high | 106 Ų | 106 | 46.7 Ų | 46.7 | 46% | 0.461 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65 | -39.3 | 174.6 | -73.7 | 175.7 | -179.1 | 176.8 | 0 | 112 | I212 F213 Q214 A219 R220 | I212-K216 HydrophobicContact CG2-CD 4.34Å; I212-K216 WeakPolarHBondContact O-CG 3.47Å; I212-K216 PolarHBondContact O-N 2.92Å; F213-K216 PolarHBondContact O-N 3.43Å; Q214-K216 VanDerWaalsContact C-N 3.34Å; Q214-K216 PolarHBondContact O-N 2.79Å; K216-A219 PolarHBondContact O-N 2.89Å; K216-R220 WeakPolarHBondContact O-CG 3.43Å; K216-R220 PolarHBondContact O-N 3.24Å |
| 217 | A | 96.1 | Very high | 96.7 | Very high | 19 Ų | 19 | 45.8 Ų | 45.8 | 16% | 0.157 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.3 | -47.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | F213 Q214 A219 R220 N221 Q222 | F213-A217 WeakPolarHBondContact O-CB 3.47Å; F213-A217 PolarHBondContact O-N 3.43Å; Q214-A217 WeakPolarHBondContact O-CB 3.49Å; Q214-A217 PolarHBondContact O-N 2.87Å; A217-A219 PolarHBondContact O-N 3.06Å; A217-R220 CarbonylContact O-C 3.49Å; A217-R220 PolarHBondContact O-N 3.32Å; A217-N221 PolarHBondContact O-N 3.39Å; A217-Q222 CarbonylContact C-O 3.45Å; A217-Q222 VanDerWaalsContact CB-O 3.3Å; A217-Q222 WeakPolarHBondContact CB-O 3.46Å; A217-Q222 PolarHBondContact O-N 3.18Å |
| 218 | V | 96.1 | Very high | 96.6 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.024 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61 | -44.2 | 174.7 | 171.9 | 0 | 0 | 0 | 0 | 111.7 | L143 Q214 L215 R220 N221 N257 F258 I261 | L143-V218 HydrophobicContact CD2-CG2 3.79Å; Q214-V218 WeakPolarHBondContact O-CG2 3.45Å; Q214-V218 PolarHBondContact O-N 3.47Å; L215-V218 PolarHBondContact O-N 2.69Å; V218-R220 PolarHBondContact O-N 3.41Å; V218-R220 VanDerWaalsContact O-N 3.13Å; V218-N221 PolarHBondContact O-N 3.07Å; V218-N257 WeakPolarHBondContact O-CB 3.41Å; V218-F258 HydrophobicContact CG1-CD1 3.65Å; V218-F258 HydrophobicContact CG1-CE1 3.81Å; V218-F258 HydrophobicContact CG1-CG 4.19Å; V218-F258 HydrophobicContact CG1-CZ 4.45Å; V218-I261 HydrophobicContact CG1-CB 4.41Å; V218-I261 HydrophobicContact CG1-CG1 3.93Å; V218-I261 HydrophobicContact CG2-CG1 3.95Å |
| 219 | A | 96.5 | Very high | 96.6 | Very high | 28 Ų | 28 | 51.7 Ų | 51.7 | 23% | 0.231 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.2 | -26.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L215 K216 A217 N257 F258 | L215-A219 WeakPolarHBondContact O-CB 3.2Å; L215-A219 PolarHBondContact O-N 3.37Å; K216-A219 PolarHBondContact O-N 2.89Å; A217-A219 PolarHBondContact O-N 3.06Å; A219-N257 PolarHBondContact O-ND2 3.07Å; A219-F258 HydrophobicContact CB-CE2 4.06Å; A219-F258 HydrophobicContact CB-CZ 4.34Å |
| 220 | R | 96 | Very high | 96.5 | Very high | 138 Ų | 138 | 47.8 Ų | 47.8 | 52% | 0.521 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -2 | 176 | -62.6 | 173.1 | -173.5 | 151.9 | -0.8 | 113.4 | K216 A217 V218 Q222 | K216-R220 WeakPolarHBondContact O-CG 3.43Å; K216-R220 PolarHBondContact O-N 3.24Å; A217-R220 CarbonylContact O-C 3.49Å; A217-R220 PolarHBondContact O-N 3.32Å; V218-R220 PolarHBondContact O-N 3.41Å; V218-R220 VanDerWaalsContact O-N 3.13Å; R220-Q222 HydrophobicContact CB-CB 4.33Å; R220-Q222 HydrophobicContact CB-CG 4.29Å; R220-Q222 PolarHBondContact O-N 3.43Å; R220-Q222 VanDerWaalsContact O-N 3.16Å |
| 221 | N | 96.9 | Very high | 96.5 | Very high | 6 Ų | 6 | 47.2 Ų | 47.2 | 3% | 0.032 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46 | 39.5 | -168.7 | -167.2 | 6.8 | 0 | 0 | 0 | 113.4 | R109 K122 A217 V218 Y248 Y250 N257 | R109-N221 PolarHBondContact NH1-OD1 3.31Å; R109-N221 VanDerWaalsContact NH1-OD1 3.16Å; R109-N221 PolarHBondContact NH2-O 3.25Å; R109-N221 PolarHBondContact NH2-OD1 3.35Å; K122-N221 PolarHBondContact NZ-OD1 3.17Å; A217-N221 PolarHBondContact O-N 3.39Å; V218-N221 PolarHBondContact O-N 3.07Å; N221-Y248 WeakPolarHBondContact O-CE1 3.33Å; N221-Y248 PolarHBondContact O-OH 3.46Å; N221-Y250 WeakPolarHBondContact CB-O 3.33Å; N221-Y250 PolarHBondContact ND2-O 3.41Å; N221-N257 HydrophobicContact CB-CB 3.88Å; N221-N257 VanDerWaalsContact CB-CG 3.48Å; N221-N257 VanDerWaalsContact CB-OD1 3.29Å; N221-N257 WeakPolarHBondContact CB-OD1 3.45Å |
| 222 | Q | 97.1 | Very high | 96.4 | Very high | 30 Ų | 30 | 49.8 Ų | 49.8 | 14% | 0.14 | 25% | 0.254 | C | S | . | . | trans | -114 | 134.5 | 177.2 | -77.1 | 177.1 | 2.3 | 0 | 0 | 109.2 | A217 R220 E226 Y248 | A217-Q222 CarbonylContact C-O 3.45Å; A217-Q222 VanDerWaalsContact CB-O 3.3Å; A217-Q222 WeakPolarHBondContact CB-O 3.46Å; A217-Q222 PolarHBondContact O-N 3.18Å; R220-Q222 HydrophobicContact CB-CB 4.33Å; R220-Q222 HydrophobicContact CB-CG 4.29Å; R220-Q222 PolarHBondContact O-N 3.43Å; R220-Q222 VanDerWaalsContact O-N 3.16Å; Q222-E226 WeakPolarHBondContact CA-OE2 3.26Å; Q222-E226 HydrophobicContact CB-CB 4.49Å; Q222-Y248 HydrophobicContact CG-CD1 3.97Å; Q222-Y248 HydrophobicContact CG-CD2 4.24Å; Q222-Y248 HydrophobicContact CG-CE1 3.47Å; Q222-Y248 VanDerWaalsContact CG-CE1 3.47Å; Q222-Y248 HydrophobicContact CG-CE2 3.79Å; Q222-Y248 HydrophobicContact CG-CG 4.32Å | ||
| 223 | T | 96.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | trans | -78.3 | 166 | 163.9 | 77.6 | 0 | 0 | 0 | 0 | 111.1 | K122 M123 D124 I225 E226 S227 | K122-T223 HydrophobicContact CG-CG2 3.93Å; M123-T223 WeakPolarHBondContact O-CB 3.34Å; M123-T223 PolarHBondContact O-OG1 3.04Å; M123-T223 VanDerWaalsContact O-OG1 3.08Å; D124-T223 HydrophobicContact CB-CG2 4.32Å; D124-T223 WeakPolarHBondContact OD1-CA 3.35Å; D124-T223 WeakPolarHBondContact OD1-CB 3.48Å; T223-I225 PolarHBondContact O-N 3.48Å; T223-I225 PolarHBondContact OG1-N 3.32Å; T223-E226 WeakPolarHBondContact CG2-OE2 3.41Å; T223-E226 PolarHBondContact N-OE2 2.84Å; T223-E226 PolarHBondContact O-N 2.9Å; T223-E226 VanDerWaalsContact O-N 3.12Å; T223-E226 VanDerWaalsContact OG1-CG 3.26Å; T223-E226 WeakPolarHBondContact OG1-CG 3.25Å; T223-E226 PolarHBondContact OG1-N 2.85Å; T223-S227 PolarHBondContact O-N 3.14Å | ||
| 224 | G | 94.4 | Very high | 96.3 | Very high | 37 Ų | 37 | 41.9 Ų | 41.9 | 38% | 0.381 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -52.6 | -43.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D124 S227 W228 | D124-G224 PolarHBondContact OD1-N 3.25Å; G224-S227 PolarHBondContact O-OG 2.81Å; G224-W228 PolarHBondContact O-N 3.25Å |
| 225 | I | 96.1 | Very high | 96.1 | Very high | 43 Ų | 43 | 45.4 Ų | 45.4 | 22% | 0.221 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.1 | -45.3 | 177.1 | -59.5 | 173.2 | 0 | 0 | 0 | 111.1 | H111 M123 T223 W228 I229 | H111-I225 HydrophobicContact CB-CD1 3.99Å; H111-I225 WeakPolarHBondContact NE2-CG2 3.24Å; M123-I225 HydrophobicContact CB-CD1 4.1Å; M123-I225 HydrophobicContact CE-CD1 4.26Å; M123-I225 HydrophobicContact CG-CD1 3.9Å; M123-I225 HydrophobicContact SD-CD1 4.06Å; T223-I225 PolarHBondContact O-N 3.48Å; T223-I225 PolarHBondContact OG1-N 3.32Å; I225-W228 PolarHBondContact O-N 2.93Å; I225-I229 HydrophobicContact CG2-CD1 4.06Å; I225-I229 WeakPolarHBondContact O-CG1 3.48Å; I225-I229 PolarHBondContact O-N 3.46Å |
| 226 | E | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.7 | -41.2 | -177.6 | -63.9 | 172.6 | 152.1 | 0 | 0 | 111.6 | R109 Q222 T223 W228 I229 V230 Y248 L286 | R109-E226 VanDerWaalsContact CB-OE1 3.3Å; R109-E226 WeakPolarHBondContact CB-OE1 3.48Å; R109-E226 VanDerWaalsContact CG-OE1 3.25Å; R109-E226 WeakPolarHBondContact CG-OE1 3.46Å; R109-E226 IonicContact CZ-OE1 3.41Å; R109-E226 IonicContact CZ-OE2 2.76Å; R109-E226 IonicContact NE-OE1 3.47Å; R109-E226 PolarHBondContact NE-OE1 3.39Å; R109-E226 IonicContact NE-OE2 3.48Å; R109-E226 IonicContact NH2-OE1 2.7Å; R109-E226 PolarHBondContact NH2-OE1 3.27Å; R109-E226 IonicContact NH2-OE2 3.62Å; R109-E226 PolarHBondContact NH2-OE2 2.9Å; Q222-E226 WeakPolarHBondContact CA-OE2 3.26Å; Q222-E226 HydrophobicContact CB-CB 4.49Å; T223-E226 WeakPolarHBondContact CG2-OE2 3.41Å; T223-E226 PolarHBondContact N-OE2 2.84Å; T223-E226 PolarHBondContact O-N 2.9Å; T223-E226 VanDerWaalsContact O-N 3.12Å; T223-E226 VanDerWaalsContact OG1-CG 3.26Å; T223-E226 WeakPolarHBondContact OG1-CG 3.25Å; T223-E226 PolarHBondContact OG1-N 2.85Å; E226-W228 PolarHBondContact O-N 3.46Å; E226-I229 WeakPolarHBondContact O-CB 3.23Å; E226-I229 PolarHBondContact O-N 2.91Å; E226-I229 VanDerWaalsContact O-N 3.07Å; E226-V230 WeakPolarHBondContact O-CG2 3.42Å; E226-V230 PolarHBondContact O-N 3.44Å; E226-Y248 HydrophobicContact CB-CE2 4.27Å; E226-Y248 PolarHBondContact OE2-OH 3.39Å; E226-L286 HydrophobicContact CB-CD2 4.17Å; E226-L286 HydrophobicContact CG-CD2 3.74Å |
| 227 | S | 96.6 | Very high | 95.6 | Very high | 52 Ų | 52 | 42 Ų | 42 | 36% | 0.364 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -57.9 | -36.9 | 175.7 | 74.8 | 0 | 0 | 0 | 0 | 111.8 | T223 G224 A231 | T223-S227 PolarHBondContact O-N 3.14Å; G224-S227 PolarHBondContact O-OG 2.81Å; S227-A231 WeakPolarHBondContact O-CB 3.23Å; S227-A231 PolarHBondContact O-N 2.95Å |
| 228 | W | 95.4 | Very high | 95.4 | Very high | 164 Ų | 164 | 49.1 Ų | 49.1 | 62% | 0.621 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -73.4 | -35.7 | 176 | -165.9 | 74.7 | 0 | 0 | 0 | 112.7 | G224 I225 E226 K232 | G224-W228 PolarHBondContact O-N 3.25Å; I225-W228 PolarHBondContact O-N 2.93Å; E226-W228 PolarHBondContact O-N 3.46Å; W228-K232 HydrophobicContact CD2-CD 4.2Å; W228-K232 HydrophobicContact CE3-CD 4.08Å; W228-K232 HydrophobicContact CH2-CD 3.51Å; W228-K232 VanDerWaalsContact CH2-CE 3.46Å; W228-K232 HydrophobicContact CZ2-CD 3.64Å; W228-K232 HydrophobicContact CZ2-CG 4.31Å; W228-K232 HydrophobicContact CZ3-CD 3.77Å; W228-K232 VanDerWaalsContact O-CE 3.29Å; W228-K232 WeakPolarHBondContact O-CE 3.28Å; W228-K232 PolarHBondContact O-N 2.86Å; W228-K232 VanDerWaalsContact O-N 3.15Å |
| 229 | I | 96.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.1 | -47 | 172.5 | -65.1 | 165.2 | 0 | 0 | 0 | 110.1 | I225 E226 K232 A233 L286 E289 Q290 Q293 | I225-I229 HydrophobicContact CG2-CD1 4.06Å; I225-I229 WeakPolarHBondContact O-CG1 3.48Å; I225-I229 PolarHBondContact O-N 3.46Å; E226-I229 WeakPolarHBondContact O-CB 3.23Å; E226-I229 PolarHBondContact O-N 2.91Å; E226-I229 VanDerWaalsContact O-N 3.07Å; I229-K232 PolarHBondContact O-N 3.47Å; I229-A233 VanDerWaalsContact O-CB 3.24Å; I229-A233 WeakPolarHBondContact O-CB 3.48Å; I229-A233 PolarHBondContact O-N 2.91Å; I229-L286 HydrophobicContact CB-CD1 4.27Å; I229-L286 HydrophobicContact CG2-CD1 3.69Å; I229-L286 HydrophobicContact CG2-CG 4.43Å; I229-E289 HydrophobicContact CG2-CG 4.35Å; I229-Q290 HydrophobicContact CD1-CB 4.38Å; I229-Q290 HydrophobicContact CD1-CG 4.14Å; I229-Q290 HydrophobicContact CG1-CG 4.44Å; I229-Q290 HydrophobicContact CG2-CB 4.38Å; I229-Q293 PolarHBondContact O-NE2 3.2Å |
| 230 | V | 97 | Very high | 94.8 | Very high | 14 Ų | 14 | 58.4 Ų | 58.4 | 9% | 0.085 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 179.2 | 175 | 0 | 0 | 0 | 0 | 111.5 | E226 K232 A233 N234 F246 Y248 L286 | E226-V230 WeakPolarHBondContact O-CG2 3.42Å; E226-V230 PolarHBondContact O-N 3.44Å; V230-K232 PolarHBondContact O-N 3.09Å; V230-A233 VanDerWaalsContact O-CB 3.31Å; V230-A233 WeakPolarHBondContact O-CB 3.29Å; V230-A233 PolarHBondContact O-N 3.48Å; V230-A233 VanDerWaalsContact O-N 3.17Å; V230-N234 PolarHBondContact O-N 3.3Å; V230-N234 PolarHBondContact O-ND2 2.98Å; V230-F246 HydrophobicContact CG1-CD1 4.38Å; V230-F246 HydrophobicContact CG2-CD1 3.99Å; V230-F246 HydrophobicContact CG2-CE1 4.19Å; V230-Y248 HydrophobicContact CG2-CD2 3.55Å; V230-Y248 HydrophobicContact CG2-CE2 4.16Å; V230-Y248 HydrophobicContact CG2-CG 4.38Å; V230-L286 HydrophobicContact CG2-CD1 4.18Å |
| 231 | A | 96.1 | Very high | 94.6 | Very high | 51 Ų | 51 | 54.6 Ų | 54.6 | 42% | 0.421 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.7 | -50.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S227 A233 N234 V235 | S227-A231 WeakPolarHBondContact O-CB 3.23Å; S227-A231 PolarHBondContact O-N 2.95Å; A231-A233 VanDerWaalsContact C-N 3.32Å; A231-A233 PolarHBondContact O-N 3.36Å; A231-N234 PolarHBondContact O-N 3.46Å; A231-V235 WeakPolarHBondContact O-CG2 3.47Å; A231-V235 PolarHBondContact O-N 3.48Å; A231-V235 VanDerWaalsContact O-N 3.09Å |
| 232 | K | 94.6 | Very high | 94.3 | Very high | 60 Ų | 60 | 59.2 Ų | 59.2 | 26% | 0.261 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62 | -40.4 | 174.5 | -71.4 | -178.3 | -71 | 159.8 | 0 | 112.8 | W228 I229 V230 N234 V235 W236 | W228-K232 HydrophobicContact CD2-CD 4.2Å; W228-K232 HydrophobicContact CE3-CD 4.08Å; W228-K232 HydrophobicContact CH2-CD 3.51Å; W228-K232 VanDerWaalsContact CH2-CE 3.46Å; W228-K232 HydrophobicContact CZ2-CD 3.64Å; W228-K232 HydrophobicContact CZ2-CG 4.31Å; W228-K232 HydrophobicContact CZ3-CD 3.77Å; W228-K232 VanDerWaalsContact O-CE 3.29Å; W228-K232 WeakPolarHBondContact O-CE 3.28Å; W228-K232 PolarHBondContact O-N 2.86Å; W228-K232 VanDerWaalsContact O-N 3.15Å; I229-K232 PolarHBondContact O-N 3.47Å; V230-K232 PolarHBondContact O-N 3.09Å; K232-N234 PolarHBondContact O-N 2.66Å; K232-V235 PolarHBondContact O-N 3.36Å; K232-V235 VanDerWaalsContact O-N 3.16Å; K232-W236 PolarHBondContact O-N 3.4Å; K232-W236 VanDerWaalsContact O-N 3.08Å |
| 233 | A | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -55.9 | -39 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I229 V230 A231 W236 R237 F246 E289 | I229-A233 VanDerWaalsContact O-CB 3.24Å; I229-A233 WeakPolarHBondContact O-CB 3.48Å; I229-A233 PolarHBondContact O-N 2.91Å; V230-A233 VanDerWaalsContact O-CB 3.31Å; V230-A233 WeakPolarHBondContact O-CB 3.29Å; V230-A233 PolarHBondContact O-N 3.48Å; V230-A233 VanDerWaalsContact O-N 3.17Å; A231-A233 VanDerWaalsContact C-N 3.32Å; A231-A233 PolarHBondContact O-N 3.36Å; A233-W236 PolarHBondContact O-NE1 2.96Å; A233-R237 VanDerWaalsContact CB-NH1 3.34Å; A233-R237 VanDerWaalsContact O-CB 3.31Å; A233-R237 WeakPolarHBondContact O-CB 3.42Å; A233-R237 WeakPolarHBondContact O-CD 3.36Å; A233-R237 WeakPolarHBondContact O-CG 3.23Å; A233-R237 PolarHBondContact O-N 3.12Å; A233-R237 PolarHBondContact O-NH1 3.49Å; A233-F246 HydrophobicContact CB-CB 3.69Å; A233-F246 HydrophobicContact CB-CD1 4.29Å; A233-F246 HydrophobicContact CB-CD2 4.42Å; A233-F246 HydrophobicContact CB-CG 3.87Å; A233-E289 WeakPolarHBondContact CA-OE1 3.26Å; A233-E289 HydrophobicContact CB-CG 3.9Å; A233-E289 VanDerWaalsContact CB-OE1 3.22Å; A233-E289 WeakPolarHBondContact CB-OE1 3.34Å |
| 234 | N | 95.9 | Very high | 93.4 | Very high | 55 Ų | 55 | 75.1 Ų | 75.1 | 29% | 0.294 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -76.3 | -36.9 | 177.4 | -68 | -27.4 | 0 | 0 | 0 | 113 | V230 A231 K232 K238 P245 F246 | V230-N234 PolarHBondContact O-N 3.3Å; V230-N234 PolarHBondContact O-ND2 2.98Å; A231-N234 PolarHBondContact O-N 3.46Å; K232-N234 PolarHBondContact O-N 2.66Å; N234-K238 WeakPolarHBondContact O-CB 3.32Å; N234-K238 PolarHBondContact O-N 3.15Å; N234-K238 VanDerWaalsContact O-N 3.09Å; N234-P245 WeakPolarHBondContact OD1-CA 3.41Å; N234-P245 WeakPolarHBondContact OD1-CB 3.27Å; N234-F246 PolarHBondContact OD1-N 3.06Å |
| 235 | V | 92.8 | Very high | 93.4 | Very high | 88 Ų | 88 | 78 Ų | 78 | 53% | 0.533 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.5 | -56.5 | 177.6 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | A231 K232 R237 K238 D239 | A231-V235 WeakPolarHBondContact O-CG2 3.47Å; A231-V235 PolarHBondContact O-N 3.48Å; A231-V235 VanDerWaalsContact O-N 3.09Å; K232-V235 PolarHBondContact O-N 3.36Å; K232-V235 VanDerWaalsContact O-N 3.16Å; V235-R237 VanDerWaalsContact C-N 3.3Å; V235-R237 PolarHBondContact O-N 2.81Å; V235-K238 WeakPolarHBondContact O-CB 3.26Å; V235-K238 PolarHBondContact O-N 3.2Å; V235-K238 VanDerWaalsContact O-N 3.14Å; V235-D239 PolarHBondContact O-N 3.33Å; V235-D239 VanDerWaalsContact O-N 3.07Å |
| 236 | W | 90.7 | Very high | 93.3 | Very high | 52 Ų | 52 | 77.1 Ų | 77.1 | 20% | 0.197 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -67.3 | -32.4 | -175.7 | 78.9 | -103.6 | 0 | 0 | 0 | 112.3 | K232 A233 D239 V240 E289 Y292 L296 | K232-W236 PolarHBondContact O-N 3.4Å; K232-W236 VanDerWaalsContact O-N 3.08Å; A233-W236 PolarHBondContact O-NE1 2.96Å; W236-D239 PolarHBondContact O-N 3.09Å; W236-V240 HydrophobicContact CE3-CG1 4.26Å; W236-V240 HydrophobicContact CE3-CG2 4Å; W236-V240 HydrophobicContact CZ3-CG2 3.87Å; W236-V240 PolarHBondContact O-N 3.15Å; W236-V240 VanDerWaalsContact O-N 3.13Å; W236-E289 PolarHBondContact NE1-OE1 2.92Å; W236-Y292 HydrophobicContact CD2-CE1 4.05Å; W236-Y292 AromaticContact CE2-CE1 3.64Å; W236-Y292 HydrophobicContact CE3-CE1 4.11Å; W236-Y292 HydrophobicContact CH2-CD1 4.25Å; W236-Y292 AromaticContact CH2-CE1 3.48Å; W236-Y292 HydrophobicContact CH2-CE1 3.48Å; W236-Y292 VanDerWaalsContact CH2-CE1 3.48Å; W236-Y292 AromaticContact CZ2-CD1 3.75Å; W236-Y292 HydrophobicContact CZ2-CD1 3.75Å; W236-Y292 AromaticContact CZ2-CE1 3.36Å; W236-Y292 HydrophobicContact CZ2-CE1 3.36Å; W236-Y292 AromaticContact CZ3-CE1 3.85Å; W236-Y292 HydrophobicContact CZ3-CE1 3.85Å; W236-L296 HydrophobicContact CG-CD1 4.5Å |
| 237 | R | 93.4 | Very high | 93.2 | Very high | 39 Ų | 39 | 83.5 Ų | 83.5 | 15% | 0.147 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 173.3 | -85.7 | 178.9 | -178.8 | 72.9 | 4.2 | 111.4 | A233 V235 D239 V240 G241 E242 E289 | A233-R237 VanDerWaalsContact CB-NH1 3.34Å; A233-R237 VanDerWaalsContact O-CB 3.31Å; A233-R237 WeakPolarHBondContact O-CB 3.42Å; A233-R237 WeakPolarHBondContact O-CD 3.36Å; A233-R237 WeakPolarHBondContact O-CG 3.23Å; A233-R237 PolarHBondContact O-N 3.12Å; A233-R237 PolarHBondContact O-NH1 3.49Å; V235-R237 VanDerWaalsContact C-N 3.3Å; V235-R237 PolarHBondContact O-N 2.81Å; R237-D239 VanDerWaalsContact C-N 3.3Å; R237-D239 PolarHBondContact O-N 3.08Å; R237-V240 VanDerWaalsContact O-CG2 3.26Å; R237-V240 WeakPolarHBondContact O-CG2 3.39Å; R237-V240 PolarHBondContact O-N 3.32Å; R237-G241 PolarHBondContact O-N 2.88Å; R237-E242 HydrophobicContact CB-CB 3.87Å; R237-E242 HydrophobicContact CB-CG 4.19Å; R237-E242 HydrophobicContact CG-CB 4.14Å; R237-E242 HydrophobicContact CG-CG 4.1Å; R237-E242 VanDerWaalsContact O-CB 3.27Å; R237-E242 WeakPolarHBondContact O-CB 3.16Å; R237-E242 PolarHBondContact O-N 2.86Å; R237-E289 IonicContact CZ-OE2 3.52Å; R237-E289 VanDerWaalsContact NH1-CD 3.28Å; R237-E289 IonicContact NH1-OE1 3.72Å; R237-E289 PolarHBondContact NH1-OE1 3.1Å; R237-E289 VanDerWaalsContact NH1-OE1 3.1Å; R237-E289 IonicContact NH1-OE2 3.54Å; R237-E289 PolarHBondContact NH1-OE2 3.45Å; R237-E289 VanDerWaalsContact NH1-OE2 3.11Å; R237-E289 IonicContact NH2-OE2 2.74Å; R237-E289 PolarHBondContact NH2-OE2 3.37Å |
| 238 | K | 91.8 | Very high | 93.2 | Very high | 168 Ų | 168 | 82 Ų | 82 | 73% | 0.73 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -60.6 | -41.4 | 175.3 | -172.5 | -177.7 | 178.1 | -176.3 | 0 | 111.4 | N234 V235 V240 G241 | N234-K238 WeakPolarHBondContact O-CB 3.32Å; N234-K238 PolarHBondContact O-N 3.15Å; N234-K238 VanDerWaalsContact O-N 3.09Å; V235-K238 WeakPolarHBondContact O-CB 3.26Å; V235-K238 PolarHBondContact O-N 3.2Å; V235-K238 VanDerWaalsContact O-N 3.14Å; K238-V240 VanDerWaalsContact C-N 3.29Å; K238-V240 PolarHBondContact O-N 2.93Å; K238-G241 PolarHBondContact O-N 3.31Å; K238-G241 VanDerWaalsContact O-N 3.13Å |
| 239 | D | 89.8 | Confident | 93.3 | Very high | 127 Ų | 127 | 74.1 Ų | 74.1 | 68% | 0.679 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -65.1 | -30.4 | -179.6 | -64.9 | -21.5 | 0 | 0 | 0 | 113.1 | V235 W236 R237 | V235-D239 PolarHBondContact O-N 3.33Å; V235-D239 VanDerWaalsContact O-N 3.07Å; W236-D239 PolarHBondContact O-N 3.09Å; R237-D239 VanDerWaalsContact C-N 3.3Å; R237-D239 PolarHBondContact O-N 3.08Å |
| 240 | V | 90.3 | Very high | 93.3 | Very high | 100 Ų | 100 | 74.1 Ų | 74.1 | 61% | 0.606 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 5.3 | 175.5 | -56.9 | 0 | 0 | 0 | 0 | 113.8 | W236 R237 K238 E242 | W236-V240 HydrophobicContact CE3-CG1 4.26Å; W236-V240 HydrophobicContact CE3-CG2 4Å; W236-V240 HydrophobicContact CZ3-CG2 3.87Å; W236-V240 PolarHBondContact O-N 3.15Å; W236-V240 VanDerWaalsContact O-N 3.13Å; R237-V240 VanDerWaalsContact O-CG2 3.26Å; R237-V240 WeakPolarHBondContact O-CG2 3.39Å; R237-V240 PolarHBondContact O-N 3.32Å; K238-V240 VanDerWaalsContact C-N 3.29Å; K238-V240 PolarHBondContact O-N 2.93Å; V240-E242 HydrophobicContact CG2-CB 4.25Å |
| 241 | G | 90.7 | Very high | 93.3 | Very high | 58 Ų | 58 | 76.8 Ų | 76.8 | 60% | 0.598 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | 13.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | R237 K238 K243 | R237-G241 PolarHBondContact O-N 2.88Å; K238-G241 PolarHBondContact O-N 3.31Å; K238-G241 VanDerWaalsContact O-N 3.13Å; G241-K243 PolarHBondContact O-N 3.37Å |
| 242 | E | 90 | Very high | 93.3 | Very high | 104 Ų | 104 | 77.1 Ų | 77.1 | 49% | 0.486 | 39% | 0.387 | S | S | . | . | trans | -67.8 | 120.4 | 173.8 | -177.7 | 65.2 | -136 | 0 | 0 | 109.6 | R237 V240 | R237-E242 HydrophobicContact CB-CB 3.87Å; R237-E242 HydrophobicContact CB-CG 4.19Å; R237-E242 HydrophobicContact CG-CB 4.14Å; R237-E242 HydrophobicContact CG-CG 4.1Å; R237-E242 VanDerWaalsContact O-CB 3.27Å; R237-E242 WeakPolarHBondContact O-CB 3.16Å; R237-E242 PolarHBondContact O-N 2.86Å; V240-E242 HydrophobicContact CG2-CB 4.25Å | ||
| 243 | K | 85 | Confident | 93.3 | Very high | 206 Ų | 206 | 76 Ų | 76 | 90% | 0.896 | 39% | 0.391 | S | S | * | . | trans | -74.4 | -27.1 | -174.9 | -66.9 | -176.2 | 180 | 179.3 | 0 | 113.1 | G241 | G241-K243 PolarHBondContact O-N 3.37Š| ||
| 244 | K | 91 | Very high | 93.2 | Very high | 158 Ų | 158 | 83.8 Ų | 83.8 | 69% | 0.687 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -99.8 | 133.7 | -174.2 | -68.5 | -177.7 | -178.8 | 176.2 | 0 | 111.1 | ||
| 245 | P | 93.5 | Very high | 93 | Very high | 97 Ų | 97 | 87.4 Ų | 87.4 | 63% | 0.63 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 161 | 172.6 | 29.6 | -34.6 | 0 | 0 | 0 | 110.8 | N234 R247 | N234-P245 WeakPolarHBondContact OD1-CA 3.41Å; N234-P245 WeakPolarHBondContact OD1-CB 3.27Å; P245-R247 PolarHBondContact O-N 2.87Å |
| 246 | F | 95.4 | Very high | 93.1 | Very high | 25 Ų | 25 | 84 Ų | 84 | 11% | 0.11 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 123.9 | 173.1 | 177.8 | -105.1 | 0 | 0 | 0 | 110.6 | V230 A233 N234 Y248 L286 E289 | V230-F246 HydrophobicContact CG1-CD1 4.38Å; V230-F246 HydrophobicContact CG2-CD1 3.99Å; V230-F246 HydrophobicContact CG2-CE1 4.19Å; A233-F246 HydrophobicContact CB-CB 3.69Å; A233-F246 HydrophobicContact CB-CD1 4.29Å; A233-F246 HydrophobicContact CB-CD2 4.42Å; A233-F246 HydrophobicContact CB-CG 3.87Å; N234-F246 PolarHBondContact OD1-N 3.06Å; F246-Y248 HydrophobicContact CE1-CD2 4.47Å; F246-Y248 PolarHBondContact O-N 3.37Å; F246-L286 HydrophobicContact CE1-CD1 3.73Å; F246-L286 HydrophobicContact CZ-CD1 4.11Å; F246-E289 HydrophobicContact CD2-CB 4.47Å; F246-E289 HydrophobicContact CD2-CG 4.15Å; F246-E289 HydrophobicContact CE2-CB 3.73Å; F246-E289 HydrophobicContact CE2-CG 3.87Å; F246-E289 HydrophobicContact CZ-CB 3.97Å; F246-E289 HydrophobicContact CZ-CG 4.18Å |
| 247 | R | 95.3 | Very high | 93.3 | Very high | 135 Ų | 135 | 81.5 Ų | 81.5 | 51% | 0.509 | 42% | 0.416 | S | S | . | . | trans | -78.4 | 107.5 | 177.3 | -170.9 | 178.6 | -172.8 | -158.6 | -0.6 | 109.5 | P245 V278 K279 | P245-R247 PolarHBondContact O-N 2.87Å; R247-V278 VanDerWaalsContact NH2-CG1 3.33Å; R247-K279 VanDerWaalsContact CZ-O 3.29Å; R247-K279 PolarHBondContact NH1-O 3.35Å; R247-K279 PolarHBondContact NH2-O 2.96Å | ||
| 248 | Y | 97.1 | Very high | 93.3 | Very high | 19 Ų | 19 | 83.1 Ų | 83.1 | 8% | 0.075 | 42% | 0.424 | C | S | . | . | trans | -72.1 | 124.1 | 179.9 | -176.2 | -108.4 | 0 | 0 | 0 | 111.3 | R109 N221 Q222 E226 V230 F246 Y250 D251 L286 | R109-Y248 PolarHBondContact NH2-OH 3.38Å; N221-Y248 WeakPolarHBondContact O-CE1 3.33Å; N221-Y248 PolarHBondContact O-OH 3.46Å; Q222-Y248 HydrophobicContact CG-CD1 3.97Å; Q222-Y248 HydrophobicContact CG-CD2 4.24Å; Q222-Y248 HydrophobicContact CG-CE1 3.47Å; Q222-Y248 VanDerWaalsContact CG-CE1 3.47Å; Q222-Y248 HydrophobicContact CG-CE2 3.79Å; Q222-Y248 HydrophobicContact CG-CG 4.32Å; E226-Y248 HydrophobicContact CB-CE2 4.27Å; E226-Y248 PolarHBondContact OE2-OH 3.39Å; V230-Y248 HydrophobicContact CG2-CD2 3.55Å; V230-Y248 HydrophobicContact CG2-CE2 4.16Å; V230-Y248 HydrophobicContact CG2-CG 4.38Å; F246-Y248 HydrophobicContact CE1-CD2 4.47Å; F246-Y248 PolarHBondContact O-N 3.37Å; Y248-Y250 HydrophobicContact CE1-CD2 4.27Å; Y248-Y250 HydrophobicContact CE1-CG 4.49Å; Y248-Y250 HydrophobicContact CE2-CD2 4.06Å; Y248-Y250 AromaticContact CZ-CD2 3.69Å; Y248-Y250 PolarHBondContact O-N 2.8Å; Y248-D251 HydrophobicContact CD1-CB 3.91Å; Y248-L286 HydrophobicContact CD2-CD1 4.29Å; Y248-L286 HydrophobicContact CE2-CD1 4.24Å; Y248-L286 HydrophobicContact CE2-CD2 3.89Å | ||
| 249 | P | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -17.6 | -166.9 | 29.8 | -37 | 0 | 0 | 0 | 114.5 | V277 V278 C281 D285 L286 | P249-V277 HydrophobicContact CB-CG1 4.38Å; P249-V277 CarbonylContact O-C 3.54Å; P249-V277 WeakPolarHBondContact O-CA 3.41Å; P249-V277 WeakPolarHBondContact O-CB 3.27Å; P249-V278 WeakPolarHBondContact O-CG2 3.48Å; P249-V278 PolarHBondContact O-N 3.46Å; P249-C281 HydrophobicContact CB-CB 3.69Å; P249-D285 HydrophobicContact CB-CB 4.35Å; P249-D285 HydrophobicContact CG-CB 4.31Å; P249-L286 HydrophobicContact CG-CB 4.06Å |
| 250 | Y | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 6.1 | -172.1 | -48.2 | -65.1 | 0 | 0 | 0 | 114.2 | R109 N221 Y248 L252 W275 V277 Q283 L286 | R109-Y250 HydrophobicContact CG-CD2 4.09Å; R109-Y250 HydrophobicContact CG-CE1 4.43Å; R109-Y250 HydrophobicContact CG-CE2 3.43Å; R109-Y250 VanDerWaalsContact CG-CE2 3.43Å; N221-Y250 WeakPolarHBondContact CB-O 3.33Å; N221-Y250 PolarHBondContact ND2-O 3.41Å; Y248-Y250 HydrophobicContact CE1-CD2 4.27Å; Y248-Y250 HydrophobicContact CE1-CG 4.49Å; Y248-Y250 HydrophobicContact CE2-CD2 4.06Å; Y248-Y250 AromaticContact CZ-CD2 3.69Å; Y248-Y250 PolarHBondContact O-N 2.8Å; Y250-L252 PolarHBondContact O-N 3.42Å; Y250-W275 HydrophobicContact CD1-CB 3.74Å; Y250-W275 HydrophobicContact CD1-CG 4.4Å; Y250-W275 HydrophobicContact CE1-CB 3.7Å; Y250-W275 HydrophobicContact CE1-CG 4.14Å; Y250-V277 HydrophobicContact CD1-CG1 3.78Å; Y250-V277 HydrophobicContact CE1-CG1 3.67Å; Y250-Q283 PolarHBondContact OH-O 2.94Å; Y250-L286 HydrophobicContact CD2-CD2 4.42Å; Y250-L286 HydrophobicContact CE2-CB 4.2Å; Y250-L286 HydrophobicContact CE2-CD2 3.92Å |
| 251 | D | 96.6 | Very high | 93.6 | Very high | 71 Ų | 71 | 70 Ų | 70 | 38% | 0.38 | 36% | 0.355 | S | S | . | . | trans | -81.9 | 99.6 | 176.4 | -176.2 | 0.1 | 0 | 0 | 0 | 111 | Y248 G253 N257 V278 | Y248-D251 HydrophobicContact CD1-CB 3.91Å; D251-G253 VanDerWaalsContact C-N 3.29Å; D251-G253 PolarHBondContact O-N 2.95Å; D251-G253 PolarHBondContact OD1-N 3.36Å; D251-N257 PolarHBondContact OD1-ND2 3.29Å; D251-V278 WeakPolarHBondContact O-CG2 3.23Å | ||
| 252 | L | 95.3 | Very high | 93.5 | Very high | 58 Ų | 58 | 70.1 Ų | 70.1 | 30% | 0.304 | 34% | 0.34 | S | S | . | . | trans | -90.9 | 13.7 | -177.2 | -51.4 | 173.1 | 0 | 0 | 0 | 112.7 | Y250 N257 Q260 P276 | Y250-L252 PolarHBondContact O-N 3.42Å; L252-N257 PolarHBondContact N-OD1 2.94Å; L252-Q260 HydrophobicContact CD1-CG 4.1Å; L252-Q260 VanDerWaalsContact CD1-NE2 3.33Å; L252-P276 HydrophobicContact CD1-CB 3.77Å; L252-P276 HydrophobicContact CD1-CG 4.28Å; L252-P276 HydrophobicContact CD2-CB 4.12Å | ||
| 253 | G | 95 | Very high | 93.3 | Very high | 35 Ų | 35 | 67.2 Ų | 67.2 | 36% | 0.361 | 33% | 0.327 | S | S | . | . | trans | 80.2 | 158.8 | -168.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D251 I255 G256 N257 | D251-G253 VanDerWaalsContact C-N 3.29Å; D251-G253 PolarHBondContact O-N 2.95Å; D251-G253 PolarHBondContact OD1-N 3.36Å; G253-I255 PolarHBondContact O-N 3Å; G253-G256 PolarHBondContact O-N 3.24Å; G253-G256 VanDerWaalsContact O-N 3.12Å; G253-N257 WeakPolarHBondContact O-CB 3.4Å; G253-N257 PolarHBondContact O-N 2.94Å; G253-N257 PolarHBondContact O-ND2 3.4Å; G253-N257 PolarHBondContact O-OD1 2.86Å | ||
| 254 | K | 92.9 | Very high | 92.7 | Very high | 165 Ų | 165 | 69.6 Ų | 69.6 | 72% | 0.717 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -50.2 | -52.1 | -168.4 | -66.5 | -179.5 | -178.1 | 175.1 | 0 | 113.2 | N257 F258 | K254-N257 PolarHBondContact O-N 3.02Å; K254-F258 WeakPolarHBondContact O-CD2 3.44Å; K254-F258 PolarHBondContact O-N 2.94Å |
| 255 | I | 92.8 | Very high | 92.1 | Very high | 131 Ų | 131 | 65.8 Ų | 65.8 | 67% | 0.672 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.6 | -48.5 | -178.6 | -62.9 | 171.1 | 0 | 0 | 0 | 110.8 | G253 N257 F258 Q259 | G253-I255 PolarHBondContact O-N 3Å; I255-N257 VanDerWaalsContact C-N 3.27Å; I255-N257 PolarHBondContact O-N 3.24Å; I255-F258 PolarHBondContact O-N 2.65Å; I255-Q259 WeakPolarHBondContact O-CG 3.3Å; I255-Q259 PolarHBondContact O-N 2.95Å |
| 256 | G | 94.2 | Very high | 91.2 | Very high | 15 Ų | 15 | 62.7 Ų | 62.7 | 16% | 0.155 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.3 | -37.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | G253 Q259 Q260 | G253-G256 PolarHBondContact O-N 3.24Å; G253-G256 VanDerWaalsContact O-N 3.12Å; G256-Q259 PolarHBondContact O-N 2.86Å; G256-Q260 WeakPolarHBondContact O-CG 3.23Å; G256-Q260 PolarHBondContact O-N 3.41Å |
| 257 | N | 95.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.7 | -44.9 | 176.8 | -68.1 | -16.6 | 0 | 0 | 0 | 112.3 | V218 A219 N221 D251 L252 G253 K254 I255 Q259 Q260 | V218-N257 WeakPolarHBondContact O-CB 3.41Å; A219-N257 PolarHBondContact O-ND2 3.07Å; N221-N257 HydrophobicContact CB-CB 3.88Å; N221-N257 VanDerWaalsContact CB-CG 3.48Å; N221-N257 VanDerWaalsContact CB-OD1 3.29Å; N221-N257 WeakPolarHBondContact CB-OD1 3.45Å; D251-N257 PolarHBondContact OD1-ND2 3.29Å; L252-N257 PolarHBondContact N-OD1 2.94Å; G253-N257 WeakPolarHBondContact O-CB 3.4Å; G253-N257 PolarHBondContact O-N 2.94Å; G253-N257 PolarHBondContact O-ND2 3.4Å; G253-N257 PolarHBondContact O-OD1 2.86Å; K254-N257 PolarHBondContact O-N 3.02Å; I255-N257 VanDerWaalsContact C-N 3.27Å; I255-N257 PolarHBondContact O-N 3.24Å; N257-Q259 VanDerWaalsContact C-N 3.31Å; N257-Q259 PolarHBondContact O-N 3.46Å; N257-Q260 WeakPolarHBondContact O-CB 3.22Å; N257-Q260 PolarHBondContact O-N 2.89Å |
| 258 | F | 93.7 | Very high | 89.9 | Confident | 73 Ų | 73 | 64.6 Ų | 64.6 | 32% | 0.32 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.7 | -38.9 | 174.8 | -87.6 | -77 | 0 | 0 | 0 | 111.8 | L215 V218 A219 K254 I255 Q260 I261 F262 | L215-F258 HydrophobicContact CD2-CE1 4.34Å; V218-F258 HydrophobicContact CG1-CD1 3.65Å; V218-F258 HydrophobicContact CG1-CE1 3.81Å; V218-F258 HydrophobicContact CG1-CG 4.19Å; V218-F258 HydrophobicContact CG1-CZ 4.45Å; A219-F258 HydrophobicContact CB-CE2 4.06Å; A219-F258 HydrophobicContact CB-CZ 4.34Å; K254-F258 WeakPolarHBondContact O-CD2 3.44Å; K254-F258 PolarHBondContact O-N 2.94Å; I255-F258 PolarHBondContact O-N 2.65Å; F258-Q260 PolarHBondContact O-N 3Å; F258-I261 PolarHBondContact O-N 3.15Å; F258-F262 PolarHBondContact O-N 2.67Å |
| 259 | Q | 93 | Very high | 89.3 | Confident | 93 Ų | 93 | 66.5 Ų | 66.5 | 44% | 0.435 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.5 | -22.5 | 176.3 | -72.5 | 172.1 | -19 | 0 | 0 | 113.3 | I255 G256 N257 I261 L263 | I255-Q259 WeakPolarHBondContact O-CG 3.3Å; I255-Q259 PolarHBondContact O-N 2.95Å; G256-Q259 PolarHBondContact O-N 2.86Å; N257-Q259 VanDerWaalsContact C-N 3.31Å; N257-Q259 PolarHBondContact O-N 3.46Å; Q259-I261 PolarHBondContact O-N 3.47Å; Q259-L263 WeakPolarHBondContact O-CD2 3.31Å |
| 260 | Q | 92.7 | Very high | 88.7 | Confident | 13 Ų | 13 | 68.7 Ų | 68.7 | 6% | 0.061 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -18.1 | 172.2 | -59.9 | -59.8 | -60 | 0 | 0 | 113.2 | L252 G256 N257 F258 | L252-Q260 HydrophobicContact CD1-CG 4.1Å; L252-Q260 VanDerWaalsContact CD1-NE2 3.33Å; G256-Q260 WeakPolarHBondContact O-CG 3.23Å; G256-Q260 PolarHBondContact O-N 3.41Å; N257-Q260 WeakPolarHBondContact O-CB 3.22Å; N257-Q260 PolarHBondContact O-N 2.89Å; F258-Q260 PolarHBondContact O-N 3Å |
| 261 | I | 91.8 | Very high | 88.4 | Confident | 13 Ų | 13 | 72.6 Ų | 72.6 | 7% | 0.067 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -45.5 | 179.8 | -58 | -61.9 | 0 | 0 | 0 | 111.1 | H139 K140 L143 V218 F258 Q259 | H139-I261 HydrophobicContact CB-CD1 4.19Å; K140-I261 HydrophobicContact CB-CG2 4.12Å; L143-I261 HydrophobicContact CD2-CG2 4.35Å; V218-I261 HydrophobicContact CG1-CB 4.41Å; V218-I261 HydrophobicContact CG1-CG1 3.93Å; V218-I261 HydrophobicContact CG2-CG1 3.95Å; F258-I261 PolarHBondContact O-N 3.15Å; Q259-I261 PolarHBondContact O-N 3.47Å |
| 262 | F | 89.2 | Confident | 88.2 | Confident | 62 Ų | 62 | 69.2 Ų | 69.2 | 27% | 0.272 | 36% | 0.362 | S | S | . | . | trans | -113.2 | 89.4 | -177.7 | -65.1 | -73.7 | 0 | 0 | 0 | 110.6 | K140 L143 I144 F258 | K140-F262 HydrophobicContact CD-CD1 4.28Å; K140-F262 HydrophobicContact CG-CD1 3.89Å; K140-F262 HydrophobicContact CG-CE1 3.72Å; L143-F262 HydrophobicContact CB-CZ 4.15Å; L143-F262 HydrophobicContact CD2-CE2 3.41Å; L143-F262 VanDerWaalsContact CD2-CE2 3.41Å; L143-F262 HydrophobicContact CD2-CZ 3.73Å; L143-F262 HydrophobicContact CG-CE2 4.09Å; L143-F262 HydrophobicContact CG-CZ 3.92Å; I144-F262 HydrophobicContact CD1-CE1 4.04Å; I144-F262 HydrophobicContact CG1-CE1 3.72Å; I144-F262 HydrophobicContact CG1-CZ 4.2Å; F258-F262 PolarHBondContact O-N 2.67Å | ||
| 263 | L | 84.9 | Confident | 88.1 | Confident | 43 Ų | 43 | 68.7 Ų | 68.7 | 23% | 0.225 | 36% | 0.356 | C | S | . | . | trans | -81.7 | 140.6 | 160.9 | -70.4 | 176.6 | 0 | 0 | 0 | 110.3 | Q259 S265 G266 K267 L269 | Q259-L263 WeakPolarHBondContact O-CD2 3.31Å; L263-S265 PolarHBondContact O-N 3Å; L263-G266 PolarHBondContact O-N 2.82Å; L263-K267 WeakPolarHBondContact CD1-O 3.48Å; L263-L269 HydrophobicContact CD1-CB 3.63Å; L263-L269 HydrophobicContact CD1-CD1 3.85Å; L263-L269 HydrophobicContact CD1-CG 4.29Å; L263-L269 HydrophobicContact CD2-CD1 4.37Å; L263-L269 HydrophobicContact CG-CB 4.11Å | ||
| 264 | W | 71.8 | Confident | 88.1 | Confident | 255 Ų | 255 | 71.1 Ų | 71.1 | 97% | 0.966 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -33.9 | 170.3 | -76.5 | 93.3 | 0 | 0 | 0 | 112.6 | G266 | W264-G266 PolarHBondContact O-N 3.46Å; W264-G266 VanDerWaalsContact O-N 3.1Å |
| 265 | S | 79.1 | Confident | 88.2 | Confident | 79 Ų | 79 | 63.7 Ų | 63.7 | 55% | 0.552 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -7.2 | 177.7 | 65.9 | 0 | 0 | 0 | 0 | 114.3 | L263 K267 | L263-S265 PolarHBondContact O-N 3Å; S265-K267 PolarHBondContact O-N 2.89Å; S265-K267 VanDerWaalsContact O-N 3.12Å |
| 266 | G | 74.7 | Confident | 88.3 | Confident | 31 Ų | 31 | 60.4 Ų | 60.4 | 32% | 0.32 | 31% | 0.309 | S | S | . | . | S | Bend | trans | 82.1 | -24.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | K140 L263 W264 | K140-G266 VanDerWaalsContact NZ-CA 3.31Å; K140-G266 PolarHBondContact NZ-O 3.21Å; L263-G266 PolarHBondContact O-N 2.82Å; W264-G266 PolarHBondContact O-N 3.46Å; W264-G266 VanDerWaalsContact O-N 3.1Å |
| 267 | K | 80.5 | Confident | 88.4 | Confident | 156 Ų | 156 | 61.8 Ų | 61.8 | 68% | 0.678 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -73.1 | 157 | -176.3 | -61.9 | -176.7 | -179.1 | 179.2 | 0 | 112.1 | L263 S265 | L263-K267 WeakPolarHBondContact CD1-O 3.48Å; S265-K267 PolarHBondContact O-N 2.89Å; S265-K267 VanDerWaalsContact O-N 3.12Å |
| 268 | V | 82.1 | Confident | 88.4 | Confident | 45 Ų | 45 | 63.5 Ų | 63.5 | 27% | 0.273 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -79.1 | 132.2 | 170.2 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | H136 L137 | H136-V268 WeakPolarHBondContact CE1-CG1 3.4Å; H136-V268 WeakPolarHBondContact NE2-CG1 3.3Å; L137-V268 HydrophobicContact CD2-CB 4.5Å; L137-V268 HydrophobicContact CD2-CG1 4.31Å |
| 269 | L | 85.4 | Confident | 88.5 | Confident | 59 Ų | 59 | 69.3 Ų | 69.3 | 31% | 0.309 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -79 | 129.8 | 179.4 | -173.4 | 68.4 | 0 | 0 | 0 | 110.7 | H136 L263 | H136-L269 PolarHBondContact CE1-O 3.21Å; L263-L269 HydrophobicContact CD1-CB 3.63Å; L263-L269 HydrophobicContact CD1-CD1 3.85Å; L263-L269 HydrophobicContact CD1-CG 4.29Å; L263-L269 HydrophobicContact CD2-CD1 4.37Å; L263-L269 HydrophobicContact CG-CB 4.11Å |
| 270 | G | 85 | Confident | 88.5 | Confident | 46 Ų | 46 | 68.3 Ų | 68.3 | 47% | 0.474 | 37% | 0.365 | S | S | . | . | S | Bend | trans | 84.9 | 161.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | H136 G272 | H136-G270 PolarHBondContact NE2-O 3.47Å; G270-G272 VanDerWaalsContact C-N 3.33Å |
| 271 | D | 90.9 | Very high | 88.7 | Confident | 81 Ų | 81 | 68.5 Ų | 68.5 | 43% | 0.433 | 37% | 0.367 | S | S | . | . | trans | -82.1 | -10.1 | -174.9 | 62.7 | 0.6 | 0 | 0 | 0 | 113.9 | Y273 Y274 | D271-Y273 VanDerWaalsContact C-N 3.35Å; D271-Y273 HydrophobicContact CB-CD2 3.98Å; D271-Y273 WeakPolarHBondContact O-CD2 3.42Å; D271-Y273 WeakPolarHBondContact O-CE2 3.32Å; D271-Y273 PolarHBondContact OD1-N 3.43Å; D271-Y274 PolarHBondContact OD1-N 2.93Å; D271-Y274 WeakPolarHBondContact OD2-CD2 3.2Å | ||
| 272 | G | 91.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 38% | 0.383 | C | S | . | . | S | Bend | trans | 86.9 | 2.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | H136 G270 W275 | H136-G272 VanDerWaalsContact CD2-CA 3.48Å; H136-G272 WeakPolarHBondContact CD2-CA 3.41Å; H136-G272 PolarHBondContact NE2-N 3.43Å; G270-G272 VanDerWaalsContact C-N 3.33Å; G272-W275 WeakPolarHBondContact O-CZ2 3.25Å |
| 273 | Y | 93.6 | Very high | 89.1 | Confident | 47 Ų | 47 | 69.8 Ų | 69.8 | 18% | 0.184 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -113.4 | -41.4 | 179.8 | -53.5 | -70.4 | 0 | 0 | 0 | 111.8 | P82 W85 P107 P108 M121 D271 | P82-Y273 VanDerWaalsContact CD-OH 3.31Å; P82-Y273 WeakPolarHBondContact CD-OH 3.39Å; W85-Y273 AromaticContact CD1-CE1 3.7Å; W85-Y273 HydrophobicContact CD2-CE1 4.48Å; W85-Y273 AromaticContact CE2-CD1 3.59Å; W85-Y273 AromaticContact CE2-CE1 3.79Å; W85-Y273 HydrophobicContact CG-CE1 4.43Å; W85-Y273 AromaticContact CZ2-CD1 3.65Å; W85-Y273 HydrophobicContact CZ2-CD1 3.65Å; W85-Y273 HydrophobicContact CZ2-CE1 4.33Å; W85-Y273 HydrophobicContact CZ2-CG 4.19Å; W85-Y273 AromaticContact NE1-CD1 3.44Å; W85-Y273 AromaticContact NE1-CE1 3.23Å; W85-Y273 AromaticContact NE1-CZ 3.84Å; P107-Y273 HydrophobicContact CB-CD1 3.85Å; P107-Y273 HydrophobicContact CG-CD1 3.52Å; P107-Y273 HydrophobicContact CG-CE1 3.91Å; P108-Y273 WeakPolarHBondContact CD-O 3.37Å; M121-Y273 HydrophobicContact SD-CD1 4.46Å; M121-Y273 HydrophobicContact SD-CE1 3.92Å; M121-Y273 HydrophobicContact SD-CE2 4.34Å; D271-Y273 VanDerWaalsContact C-N 3.35Å; D271-Y273 HydrophobicContact CB-CD2 3.98Å; D271-Y273 WeakPolarHBondContact O-CD2 3.42Å; D271-Y273 WeakPolarHBondContact O-CE2 3.32Å; D271-Y273 PolarHBondContact OD1-N 3.43Å |
| 274 | Y | 93.7 | Very high | 89.7 | Confident | 87 Ų | 87 | 69.2 Ų | 69.2 | 34% | 0.341 | 37% | 0.374 | S | S | . | . | trans | -117.6 | 138.7 | 179 | -57.8 | -84.7 | 0 | 0 | 0 | 110.8 | D271 Q283 | D271-Y274 PolarHBondContact OD1-N 2.93Å; D271-Y274 WeakPolarHBondContact OD2-CD2 3.2Å; Y274-Q283 HydrophobicContact CD1-CG 4.39Å | ||
| 275 | W | 94.7 | Very high | 90.9 | Very high | 8 Ų | 8 | 59 Ų | 59 | 3% | 0.03 | 34% | 0.338 | C | S | . | . | trans | -126.8 | 145.4 | -171.9 | -53.5 | 93.9 | 0 | 0 | 0 | 110.6 | P108 K122 H136 Y250 G272 V277 Q283 | P108-W275 PolarHBondContact O-NE1 2.78Å; P108-W275 VanDerWaalsContact O-NE1 3.16Å; K122-W275 HydrophobicContact CB-CH2 3.63Å; K122-W275 HydrophobicContact CB-CZ2 3.76Å; K122-W275 HydrophobicContact CD-CH2 3.61Å; K122-W275 HydrophobicContact CD-CZ2 4.35Å; K122-W275 HydrophobicContact CD-CZ3 3.75Å; K122-W275 HydrophobicContact CG-CH2 4.1Å; K122-W275 HydrophobicContact CG-CZ2 4.4Å; H136-W275 HydrophobicContact CB-CH2 4.3Å; H136-W275 AromaticContact CE1-CH2 3.61Å; H136-W275 AromaticContact CE1-CZ3 3.64Å; H136-W275 AromaticContact CG-CH2 3.77Å; H136-W275 AromaticContact ND1-CH2 3.3Å; H136-W275 VanDerWaalsContact ND1-CH2 3.3Å; H136-W275 WeakPolarHBondContact ND1-CH2 3.42Å; H136-W275 AromaticContact ND1-CZ3 3.62Å; Y250-W275 HydrophobicContact CD1-CB 3.74Å; Y250-W275 HydrophobicContact CD1-CG 4.4Å; Y250-W275 HydrophobicContact CE1-CB 3.7Å; Y250-W275 HydrophobicContact CE1-CG 4.14Å; G272-W275 WeakPolarHBondContact O-CZ2 3.25Å; W275-V277 PolarHBondContact O-N 3.04Å; W275-Q283 PolarHBondContact O-NE2 3.2Å; W275-Q283 PolarHBondContact O-OE1 2.87Å | ||
| 276 | P | 95.2 | Very high | 91.7 | Very high | 62 Ų | 62 | 55.5 Ų | 55.5 | 40% | 0.403 | 31% | 0.313 | S | S | . | . | trans | -60.1 | 135.7 | 167.6 | -17.9 | 30.3 | 0 | 0 | 0 | 109.8 | L252 | L252-P276 HydrophobicContact CD1-CB 3.77Å; L252-P276 HydrophobicContact CD1-CG 4.28Å; L252-P276 HydrophobicContact CD2-CB 4.12Å | ||
| 277 | V | 96.3 | Very high | 92.8 | Very high | 44 Ų | 44 | 54.4 Ų | 54.4 | 27% | 0.267 | 30% | 0.3 | S | S | . | . | trans | -123.3 | 152.8 | -178.6 | -68.7 | 0 | 0 | 0 | 0 | 111.4 | P249 Y250 W275 C281 | P249-V277 HydrophobicContact CB-CG1 4.38Å; P249-V277 CarbonylContact O-C 3.54Å; P249-V277 WeakPolarHBondContact O-CA 3.41Å; P249-V277 WeakPolarHBondContact O-CB 3.27Å; Y250-V277 HydrophobicContact CD1-CG1 3.78Å; Y250-V277 HydrophobicContact CE1-CG1 3.67Å; W275-V277 PolarHBondContact O-N 3.04Å; V277-C281 HydrophobicContact CB-CB 4.47Å | ||
| 278 | V | 96.3 | Very high | 93.5 | Very high | 37 Ų | 37 | 50.3 Ų | 50.3 | 22% | 0.224 | 29% | 0.285 | C | S | . | . | trans | -63.5 | 141.9 | 174.9 | -174.1 | 0 | 0 | 0 | 0 | 110.2 | R247 P249 D251 G280 C281 | R247-V278 VanDerWaalsContact NH2-CG1 3.33Å; P249-V278 WeakPolarHBondContact O-CG2 3.48Å; P249-V278 PolarHBondContact O-N 3.46Å; D251-V278 WeakPolarHBondContact O-CG2 3.23Å; V278-G280 PolarHBondContact O-N 3.48Å; V278-C281 VanDerWaalsContact O-CB 3.31Å; V278-C281 WeakPolarHBondContact O-CB 3.45Å; V278-C281 PolarHBondContact O-N 3.44Å | ||
| 279 | K | 94.8 | Very high | 94.2 | Very high | 195 Ų | 195 | 48.6 Ų | 48.6 | 85% | 0.848 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | 123.9 | 177.9 | -173.8 | 177.1 | -179.8 | 178.8 | 0 | 112 | R247 | R247-K279 VanDerWaalsContact CZ-O 3.29Å; R247-K279 PolarHBondContact NH1-O 3.35Å; R247-K279 PolarHBondContact NH2-O 2.96Å |
| 280 | G | 94.6 | Very high | 94.7 | Very high | 72 Ų | 72 | 47.1 Ų | 47.1 | 74% | 0.742 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.2 | 1.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115 | V278 | V278-G280 PolarHBondContact O-N 3.48Š|
| 281 | C | 96.1 | Very high | 95.2 | Very high | 16 Ų | 16 | 46.2 Ų | 46.2 | 11% | 0.108 | 25% | 0.25 | C | C | . | . | trans | -99.8 | 161 | 167.7 | -57.1 | 0 | 0 | 0 | 0 | 110.4 | P249 V277 V278 D285 | P249-C281 HydrophobicContact CB-CB 3.69Å; V277-C281 HydrophobicContact CB-CB 4.47Å; V278-C281 VanDerWaalsContact O-CB 3.31Å; V278-C281 WeakPolarHBondContact O-CB 3.45Å; V278-C281 PolarHBondContact O-N 3.44Å; C281-D285 WeakPolarHBondContact CA-OD2 3.23Å; C281-D285 WeakPolarHBondContact CB-OD2 3.21Å | ||
| 282 | T | 95.5 | Very high | 95.3 | Very high | 65 Ų | 65 | 46.7 Ų | 46.7 | 40% | 0.399 | 25% | 0.246 | S | C | . | . | trans | -110.9 | 168.1 | 173.8 | 82.3 | 0 | 0 | 0 | 0 | 111.8 | Y284 D285 | T282-Y284 PolarHBondContact O-N 3.46Å; T282-Y284 VanDerWaalsContact O-N 3.1Å; T282-Y284 PolarHBondContact OG1-N 3.09Å; T282-Y284 VanDerWaalsContact OG1-N 3.14Å; T282-D285 WeakPolarHBondContact CB-OD1 3.22Å; T282-D285 PolarHBondContact N-OD1 2.81Å; T282-D285 PolarHBondContact N-OD2 3.43Å; T282-D285 PolarHBondContact OG1-N 3.14Å; T282-D285 PolarHBondContact OG1-OD1 3.43Å | ||
| 283 | Q | 94.7 | Very high | 95.4 | Very high | 38 Ų | 38 | 47.6 Ų | 47.6 | 18% | 0.178 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -21.4 | 172.3 | -64.8 | -56.9 | -45.8 | 0 | 0 | 113.3 | P108 Y250 Y274 W275 | P108-Q283 WeakPolarHBondContact CB-O 3.46Å; P108-Q283 HydrophobicContact CG-CB 4.31Å; Y250-Q283 PolarHBondContact OH-O 2.94Å; Y274-Q283 HydrophobicContact CD1-CG 4.39Å; W275-Q283 PolarHBondContact O-NE2 3.2Å; W275-Q283 PolarHBondContact O-OE1 2.87Å |
| 284 | Y | 96.2 | Very high | 95.2 | Very high | 31 Ų | 31 | 49.9 Ų | 49.9 | 12% | 0.122 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -5.7 | -166.2 | -50.4 | -68.5 | 0 | 0 | 0 | 113.6 | A92 K95 L96 P108 T282 L286 T287 L288 | A92-Y284 HydrophobicContact CB-CE1 4.13Å; A92-Y284 HydrophobicContact CB-CE2 4.41Å; A92-Y284 WeakPolarHBondContact CB-OH 3.41Å; K95-Y284 HydrophobicContact CB-CD1 4.12Å; K95-Y284 HydrophobicContact CB-CD2 4.33Å; K95-Y284 HydrophobicContact CB-CG 3.88Å; K95-Y284 HydrophobicContact CD-CD2 3.65Å; K95-Y284 HydrophobicContact CD-CE2 4.13Å; K95-Y284 HydrophobicContact CD-CG 4.06Å; L96-Y284 HydrophobicContact CD2-CD1 3.66Å; L96-Y284 HydrophobicContact CD2-CE1 3.75Å; L96-Y284 HydrophobicContact CG-CD1 4.31Å; L96-Y284 HydrophobicContact CG-CE1 4.16Å; P108-Y284 HydrophobicContact CG-CD1 4.18Å; P108-Y284 HydrophobicContact CG-CE1 4.07Å; T282-Y284 PolarHBondContact O-N 3.46Å; T282-Y284 VanDerWaalsContact O-N 3.1Å; T282-Y284 PolarHBondContact OG1-N 3.09Å; T282-Y284 VanDerWaalsContact OG1-N 3.14Å; Y284-L286 VanDerWaalsContact C-N 3.33Å; Y284-L286 PolarHBondContact O-N 2.89Å; Y284-T287 CarbonylContact O-C 3.55Å; Y284-T287 WeakPolarHBondContact O-CA 3.44Å; Y284-T287 WeakPolarHBondContact O-CB 3.36Å; Y284-T287 PolarHBondContact O-N 3.42Å; Y284-L288 WeakPolarHBondContact O-CB 3.34Å; Y284-L288 WeakPolarHBondContact O-CG 3.14Å; Y284-L288 PolarHBondContact O-N 2.97Å |
| 285 | D | 96.8 | Very high | 95.1 | Very high | 40 Ų | 40 | 53 Ų | 53 | 21% | 0.214 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.4 | -44.5 | -171.4 | -64.9 | -10.5 | 0 | 0 | 0 | 112.7 | P249 C281 T282 E289 | P249-D285 HydrophobicContact CB-CB 4.35Å; P249-D285 HydrophobicContact CG-CB 4.31Å; C281-D285 WeakPolarHBondContact CA-OD2 3.23Å; C281-D285 WeakPolarHBondContact CB-OD2 3.21Å; T282-D285 WeakPolarHBondContact CB-OD1 3.22Å; T282-D285 PolarHBondContact N-OD1 2.81Å; T282-D285 PolarHBondContact N-OD2 3.43Å; T282-D285 PolarHBondContact OG1-N 3.14Å; T282-D285 PolarHBondContact OG1-OD1 3.43Å; D285-E289 WeakPolarHBondContact O-CB 3.39Å; D285-E289 PolarHBondContact O-N 2.9Å |
| 286 | L | 97.1 | Very high | 94.8 | Very high | 5 Ų | 5 | 55.1 Ų | 55.1 | 3% | 0.026 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.4 | -37.7 | 175.6 | -172.6 | 69.5 | 0 | 0 | 0 | 112.3 | E226 I229 V230 F246 Y248 P249 Y250 Y284 Q290 | E226-L286 HydrophobicContact CB-CD2 4.17Å; E226-L286 HydrophobicContact CG-CD2 3.74Å; I229-L286 HydrophobicContact CB-CD1 4.27Å; I229-L286 HydrophobicContact CG2-CD1 3.69Å; I229-L286 HydrophobicContact CG2-CG 4.43Å; V230-L286 HydrophobicContact CG2-CD1 4.18Å; F246-L286 HydrophobicContact CE1-CD1 3.73Å; F246-L286 HydrophobicContact CZ-CD1 4.11Å; Y248-L286 HydrophobicContact CD2-CD1 4.29Å; Y248-L286 HydrophobicContact CE2-CD1 4.24Å; Y248-L286 HydrophobicContact CE2-CD2 3.89Å; P249-L286 HydrophobicContact CG-CB 4.06Å; Y250-L286 HydrophobicContact CD2-CD2 4.42Å; Y250-L286 HydrophobicContact CE2-CB 4.2Å; Y250-L286 HydrophobicContact CE2-CD2 3.92Å; Y284-L286 VanDerWaalsContact C-N 3.33Å; Y284-L286 PolarHBondContact O-N 2.89Å; L286-Q290 WeakPolarHBondContact O-CB 3.46Å; L286-Q290 PolarHBondContact O-N 3.26Å |
| 287 | T | 96.7 | Very high | 94.4 | Very high | 8 Ų | 8 | 56.3 Ų | 56.3 | 5% | 0.049 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.4 | -43.3 | 178.5 | -54.2 | 0 | 0 | 0 | 0 | 111.3 | K95 L96 Q97 Y284 Q290 I291 | K95-T287 VanDerWaalsContact O-CG2 3.27Å; K95-T287 WeakPolarHBondContact O-CG2 3.47Å; L96-T287 HydrophobicContact CD2-CG2 4.25Å; Q97-T287 HydrophobicContact CG-CG2 4.33Å; Y284-T287 CarbonylContact O-C 3.55Å; Y284-T287 WeakPolarHBondContact O-CA 3.44Å; Y284-T287 WeakPolarHBondContact O-CB 3.36Å; Y284-T287 PolarHBondContact O-N 3.42Å; T287-Q290 PolarHBondContact O-N 3.26Å; T287-I291 HydrophobicContact CG2-CD1 4.23Å; T287-I291 WeakPolarHBondContact O-CG1 3.45Å; T287-I291 PolarHBondContact O-N 2.88Å |
| 288 | L | 96.8 | Very high | 93.8 | Very high | 70 Ų | 70 | 60 Ų | 60 | 37% | 0.366 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 176.3 | -70.9 | 174 | 0 | 0 | 0 | 110.9 | K95 Y284 Q290 I291 Y292 | K95-L288 HydrophobicContact CB-CD2 4Å; K95-L288 HydrophobicContact CG-CD2 4.23Å; Y284-L288 WeakPolarHBondContact O-CB 3.34Å; Y284-L288 WeakPolarHBondContact O-CG 3.14Å; Y284-L288 PolarHBondContact O-N 2.97Å; L288-Q290 VanDerWaalsContact C-N 3.32Å; L288-Q290 PolarHBondContact O-N 3.46Å; L288-I291 PolarHBondContact O-N 2.95Å; L288-Y292 WeakPolarHBondContact O-CB 3.12Å; L288-Y292 PolarHBondContact O-N 3.35Å |
| 289 | E | 96.5 | Very high | 93.3 | Very high | 10 Ų | 10 | 66.5 Ų | 66.5 | 5% | 0.047 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.5 | -45 | 171.9 | 175.1 | 59.6 | -156.4 | 0 | 0 | 111.2 | I229 A233 W236 R237 F246 D285 I291 Y292 Q293 | I229-E289 HydrophobicContact CG2-CG 4.35Å; A233-E289 WeakPolarHBondContact CA-OE1 3.26Å; A233-E289 HydrophobicContact CB-CG 3.9Å; A233-E289 VanDerWaalsContact CB-OE1 3.22Å; A233-E289 WeakPolarHBondContact CB-OE1 3.34Å; W236-E289 PolarHBondContact NE1-OE1 2.92Å; R237-E289 IonicContact CZ-OE2 3.52Å; R237-E289 VanDerWaalsContact NH1-CD 3.28Å; R237-E289 IonicContact NH1-OE1 3.72Å; R237-E289 PolarHBondContact NH1-OE1 3.1Å; R237-E289 VanDerWaalsContact NH1-OE1 3.1Å; R237-E289 IonicContact NH1-OE2 3.54Å; R237-E289 PolarHBondContact NH1-OE2 3.45Å; R237-E289 VanDerWaalsContact NH1-OE2 3.11Å; R237-E289 IonicContact NH2-OE2 2.74Å; R237-E289 PolarHBondContact NH2-OE2 3.37Å; F246-E289 HydrophobicContact CD2-CB 4.47Å; F246-E289 HydrophobicContact CD2-CG 4.15Å; F246-E289 HydrophobicContact CE2-CB 3.73Å; F246-E289 HydrophobicContact CE2-CG 3.87Å; F246-E289 HydrophobicContact CZ-CB 3.97Å; F246-E289 HydrophobicContact CZ-CG 4.18Å; D285-E289 WeakPolarHBondContact O-CB 3.39Å; D285-E289 PolarHBondContact O-N 2.9Å; E289-I291 PolarHBondContact O-N 2.9Å; E289-Y292 WeakPolarHBondContact O-CB 3.4Å; E289-Y292 PolarHBondContact O-N 3.42Å; E289-Q293 VanDerWaalsContact O-CG 3.31Å; E289-Q293 WeakPolarHBondContact O-CG 3.43Å; E289-Q293 PolarHBondContact O-N 2.85Å; E289-Q293 PolarHBondContact OE1-NE2 3.03Å |
| 290 | Q | 95.6 | Very high | 92.9 | Very high | 27 Ų | 27 | 62.5 Ų | 62.5 | 13% | 0.126 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.9 | -37.6 | 177.5 | -168.9 | 176.5 | 30.5 | 0 | 0 | 112.8 | H111 I229 L286 T287 L288 Q293 K294 | H111-Q290 PolarHBondContact CE1-OE1 2.69Å; I229-Q290 HydrophobicContact CD1-CB 4.38Å; I229-Q290 HydrophobicContact CD1-CG 4.14Å; I229-Q290 HydrophobicContact CG1-CG 4.44Å; I229-Q290 HydrophobicContact CG2-CB 4.38Å; L286-Q290 WeakPolarHBondContact O-CB 3.46Å; L286-Q290 PolarHBondContact O-N 3.26Å; T287-Q290 PolarHBondContact O-N 3.26Å; L288-Q290 VanDerWaalsContact C-N 3.32Å; L288-Q290 PolarHBondContact O-N 3.46Å; Q290-Q293 PolarHBondContact O-N 2.79Å; Q290-K294 WeakPolarHBondContact O-CG 3.1Å; Q290-K294 PolarHBondContact O-N 3.36Å |
| 291 | I | 94.3 | Very high | 92.5 | Very high | 27 Ų | 27 | 61 Ų | 61 | 14% | 0.138 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 173.6 | -70.3 | 167.2 | 0 | 0 | 0 | 110 | Q97 T287 L288 E289 K294 R295 | Q97-I291 HydrophobicContact CG-CD1 4.01Å; Q97-I291 HydrophobicContact CG-CG1 3.59Å; T287-I291 HydrophobicContact CG2-CD1 4.23Å; T287-I291 WeakPolarHBondContact O-CG1 3.45Å; T287-I291 PolarHBondContact O-N 2.88Å; L288-I291 PolarHBondContact O-N 2.95Å; E289-I291 PolarHBondContact O-N 2.9Å; I291-K294 WeakPolarHBondContact O-CB 3.47Å; I291-K294 PolarHBondContact O-N 2.84Å; I291-R295 WeakPolarHBondContact O-CG 3.32Å; I291-R295 PolarHBondContact O-N 3.46Å |
| 292 | Y | 94.1 | Very high | 92.1 | Very high | 91 Ų | 91 | 63.8 Ų | 63.8 | 36% | 0.357 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.4 | -47.5 | 176.3 | 177 | -102.2 | 0 | 0 | 0 | 111.8 | W236 L288 E289 K294 R295 L296 | W236-Y292 HydrophobicContact CD2-CE1 4.05Å; W236-Y292 AromaticContact CE2-CE1 3.64Å; W236-Y292 HydrophobicContact CE3-CE1 4.11Å; W236-Y292 HydrophobicContact CH2-CD1 4.25Å; W236-Y292 AromaticContact CH2-CE1 3.48Å; W236-Y292 HydrophobicContact CH2-CE1 3.48Å; W236-Y292 VanDerWaalsContact CH2-CE1 3.48Å; W236-Y292 AromaticContact CZ2-CD1 3.75Å; W236-Y292 HydrophobicContact CZ2-CD1 3.75Å; W236-Y292 AromaticContact CZ2-CE1 3.36Å; W236-Y292 HydrophobicContact CZ2-CE1 3.36Å; W236-Y292 AromaticContact CZ3-CE1 3.85Å; W236-Y292 HydrophobicContact CZ3-CE1 3.85Å; L288-Y292 WeakPolarHBondContact O-CB 3.12Å; L288-Y292 PolarHBondContact O-N 3.35Å; E289-Y292 WeakPolarHBondContact O-CB 3.4Å; E289-Y292 PolarHBondContact O-N 3.42Å; Y292-K294 VanDerWaalsContact C-N 3.27Å; Y292-K294 PolarHBondContact O-N 3.41Å; Y292-R295 WeakPolarHBondContact O-CB 3.37Å; Y292-R295 PolarHBondContact O-N 3.46Å; Y292-L296 HydrophobicContact CD1-CD1 3.98Å; Y292-L296 HydrophobicContact CD1-CG 4.29Å; Y292-L296 HydrophobicContact CE1-CD1 3.35Å; Y292-L296 HydrophobicContact CE1-CD2 4.35Å; Y292-L296 HydrophobicContact CE1-CG 3.82Å; Y292-L296 HydrophobicContact CE2-CD2 4.44Å; Y292-L296 HydrophobicContact CE2-CG 4.43Å; Y292-L296 PolarHBondContact O-N 2.9Å |
| 293 | Q | 93.2 | Very high | 92 | Very high | 19 Ų | 19 | 63 Ų | 63 | 9% | 0.089 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.8 | -37 | 175.3 | -70.2 | 176.2 | 18.7 | 0 | 0 | 112.6 | I229 E289 Q290 L296 K297 | I229-Q293 PolarHBondContact O-NE2 3.2Å; E289-Q293 VanDerWaalsContact O-CG 3.31Å; E289-Q293 WeakPolarHBondContact O-CG 3.43Å; E289-Q293 PolarHBondContact O-N 2.85Å; E289-Q293 PolarHBondContact OE1-NE2 3.03Å; Q290-Q293 PolarHBondContact O-N 2.79Å; Q293-L296 PolarHBondContact O-N 3.37Å; Q293-K297 WeakPolarHBondContact O-CB 3.29Å; Q293-K297 PolarHBondContact O-N 3.34Å |
| 294 | K | 90.8 | Very high | 91.9 | Very high | 95 Ų | 95 | 61.4 Ų | 61.4 | 41% | 0.413 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.1 | -39.3 | 174.4 | -75 | 178.1 | 174.3 | -172.6 | 0 | 112.4 | Q290 I291 Y292 K297 Q298 | Q290-K294 WeakPolarHBondContact O-CG 3.1Å; Q290-K294 PolarHBondContact O-N 3.36Å; I291-K294 WeakPolarHBondContact O-CB 3.47Å; I291-K294 PolarHBondContact O-N 2.84Å; Y292-K294 VanDerWaalsContact C-N 3.27Å; Y292-K294 PolarHBondContact O-N 3.41Å; K294-K297 PolarHBondContact O-N 3.47Å; K294-Q298 WeakPolarHBondContact O-CG 3.38Å; K294-Q298 PolarHBondContact O-N 3.49Å |
| 295 | R | 90.9 | Very high | 91.8 | Very high | 154 Ų | 154 | 65.3 Ų | 65.3 | 58% | 0.581 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.1 | -42.9 | 174.3 | -68.8 | 175.4 | -178.4 | 173.1 | 1.1 | 111.4 | I291 Y292 K297 Q298 K299 | I291-R295 WeakPolarHBondContact O-CG 3.32Å; I291-R295 PolarHBondContact O-N 3.46Å; Y292-R295 WeakPolarHBondContact O-CB 3.37Å; Y292-R295 PolarHBondContact O-N 3.46Å; R295-K297 VanDerWaalsContact C-N 3.33Å; R295-K297 PolarHBondContact O-N 3.43Å; R295-Q298 WeakPolarHBondContact O-CB 3.1Å; R295-Q298 PolarHBondContact O-N 3.17Å; R295-Q298 VanDerWaalsContact O-N 3.17Å; R295-K299 WeakPolarHBondContact O-CG 3.37Å; R295-K299 PolarHBondContact O-N 3.49Å |
| 296 | L | 88.9 | Confident | 91.7 | Very high | 52 Ų | 52 | 63.5 Ų | 63.5 | 27% | 0.272 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.6 | -46.2 | 172.1 | -71.6 | -176.6 | 0 | 0 | 0 | 111.3 | W236 Y292 Q293 Q298 K299 I300 | W236-L296 HydrophobicContact CG-CD1 4.5Å; Y292-L296 HydrophobicContact CD1-CD1 3.98Å; Y292-L296 HydrophobicContact CD1-CG 4.29Å; Y292-L296 HydrophobicContact CE1-CD1 3.35Å; Y292-L296 HydrophobicContact CE1-CD2 4.35Å; Y292-L296 HydrophobicContact CE1-CG 3.82Å; Y292-L296 HydrophobicContact CE2-CD2 4.44Å; Y292-L296 HydrophobicContact CE2-CG 4.43Å; Y292-L296 PolarHBondContact O-N 2.9Å; Q293-L296 PolarHBondContact O-N 3.37Å; L296-Q298 PolarHBondContact O-N 2.95Å; L296-K299 PolarHBondContact O-N 3.07Å; L296-K299 VanDerWaalsContact O-N 3.1Å; L296-I300 PolarHBondContact O-N 3.28Å |
| 297 | K | 85.7 | Confident | 91.5 | Very high | 87 Ų | 87 | 66.4 Ų | 66.4 | 38% | 0.378 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.4 | -32.4 | 176.6 | -172.9 | 171.7 | -179.8 | 173.3 | 0 | 112.7 | Q293 K294 R295 I300 Q301 T347 | Q293-K297 WeakPolarHBondContact O-CB 3.29Å; Q293-K297 PolarHBondContact O-N 3.34Å; K294-K297 PolarHBondContact O-N 3.47Å; R295-K297 VanDerWaalsContact C-N 3.33Å; R295-K297 PolarHBondContact O-N 3.43Å; K297-I300 VanDerWaalsContact O-CG1 3.29Å; K297-I300 WeakPolarHBondContact O-CG1 3.29Å; K297-Q301 VanDerWaalsContact O-CG 3.28Å; K297-Q301 WeakPolarHBondContact O-CG 3.34Å; K297-T347 VanDerWaalsContact CE-CB 3.4Å |
| 298 | Q | 85 | Confident | 91.3 | Very high | 122 Ų | 122 | 71.3 Ų | 71.3 | 57% | 0.57 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -70.6 | -40 | 174.1 | -75.2 | 169.6 | -29.2 | 0 | 0 | 112 | K294 R295 L296 I300 Q301 | K294-Q298 WeakPolarHBondContact O-CG 3.38Å; K294-Q298 PolarHBondContact O-N 3.49Å; R295-Q298 WeakPolarHBondContact O-CB 3.1Å; R295-Q298 PolarHBondContact O-N 3.17Å; R295-Q298 VanDerWaalsContact O-N 3.17Å; L296-Q298 PolarHBondContact O-N 2.95Å; Q298-I300 VanDerWaalsContact C-N 3.31Å; Q298-I300 PolarHBondContact O-N 3.32Å; Q298-Q301 WeakPolarHBondContact O-CB 3.23Å; Q298-Q301 WeakPolarHBondContact O-CG 3.21Å; Q298-Q301 PolarHBondContact O-N 3.07Å |
| 299 | K | 85.7 | Confident | 91.1 | Very high | 172 Ų | 172 | 72.4 Ų | 72.4 | 75% | 0.748 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -64.9 | -31.1 | 178.8 | -70.4 | -178.7 | 178.4 | -171.7 | 0 | 113.9 | R295 L296 Q301 | R295-K299 WeakPolarHBondContact O-CG 3.37Å; R295-K299 PolarHBondContact O-N 3.49Å; L296-K299 PolarHBondContact O-N 3.07Å; L296-K299 VanDerWaalsContact O-N 3.1Å; K299-Q301 VanDerWaalsContact C-N 3.32Å |
| 300 | I | 85.2 | Confident | 90.8 | Very high | 112 Ų | 112 | 72 Ų | 72 | 57% | 0.574 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | 0.5 | 178.8 | 65.5 | 173.1 | 0 | 0 | 0 | 113.5 | L296 K297 Q298 | L296-I300 PolarHBondContact O-N 3.28Å; K297-I300 VanDerWaalsContact O-CG1 3.29Å; K297-I300 WeakPolarHBondContact O-CG1 3.29Å; Q298-I300 VanDerWaalsContact C-N 3.31Å; Q298-I300 PolarHBondContact O-N 3.32Å |
| 301 | Q | 86.1 | Confident | 90.5 | Very high | 41 Ų | 41 | 74.9 Ų | 74.9 | 19% | 0.192 | 34% | 0.343 | C | S | . | . | trans | -64.8 | 139.7 | 179.6 | -68 | -178.1 | -1.6 | 0 | 0 | 110.5 | K297 Q298 K299 M345 V346 T347 H357 | K297-Q301 VanDerWaalsContact O-CG 3.28Å; K297-Q301 WeakPolarHBondContact O-CG 3.34Å; Q298-Q301 WeakPolarHBondContact O-CB 3.23Å; Q298-Q301 WeakPolarHBondContact O-CG 3.21Å; Q298-Q301 PolarHBondContact O-N 3.07Å; K299-Q301 VanDerWaalsContact C-N 3.32Å; Q301-M345 HydrophobicContact CB-CE 3.9Å; Q301-V346 WeakPolarHBondContact CA-O 3.31Å; Q301-T347 HydrophobicContact CG-CG2 3.74Å; Q301-H357 PolarHBondContact OE1-CE1 2.74Å | ||
| 302 | R | 89.3 | Confident | 90.1 | Very high | 73 Ų | 73 | 74.7 Ų | 74.7 | 28% | 0.275 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 136.2 | 178.1 | -67.6 | 176.5 | 173.1 | -138.6 | 4.9 | 109.1 | F304 V346 E384 F394 | R302-F304 HydrophobicContact CB-CD2 4.23Å; R302-F304 HydrophobicContact CB-CE2 3.76Å; R302-V346 PolarHBondContact N-O 2.98Å; R302-V346 PolarHBondContact O-N 2.85Å; R302-E384 VanDerWaalsContact CD-OE1 3.26Å; R302-E384 WeakPolarHBondContact CD-OE1 3.09Å; R302-E384 IonicContact CZ-OE1 3.96Å; R302-E384 IonicContact NE-OE1 2.72Å; R302-E384 IonicContact NH1-OE1 3.85Å; R302-E384 PolarHBondContact NH1-OE1 2.85Å; R302-E384 IonicContact NH1-OE2 3.57Å; R302-F394 VanDerWaalsContact NH1-CD2 3.34Å; R302-F394 VanDerWaalsContact NH2-CE2 3.34Å |
| 303 | T | 92.1 | Very high | 89.3 | Confident | 50 Ų | 50 | 71.9 Ų | 71.9 | 31% | 0.307 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 125.5 | 178.5 | -51.1 | 0 | 0 | 0 | 0 | 109.3 | V343 M345 V385 | T303-V343 HydrophobicContact CG2-CG1 3.47Å; T303-V343 VanDerWaalsContact CG2-CG1 3.47Å; T303-M345 HydrophobicContact CG2-SD 3.95Å; T303-M345 PolarHBondContact OG1-SD 3.11Å; T303-V385 HydrophobicContact CG2-CB 4.48Å; T303-V385 PolarHBondContact O-N 3.05Å |
| 304 | F | 93.3 | Very high | 88.4 | Confident | 4 Ų | 4 | 81.4 Ų | 81.4 | 2% | 0.018 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 135.7 | 173.3 | -78.1 | -110.9 | 0 | 0 | 0 | 109.2 | R302 L344 V346 I354 A382 L383 E384 | R302-F304 HydrophobicContact CB-CD2 4.23Å; R302-F304 HydrophobicContact CB-CE2 3.76Å; F304-L344 HydrophobicContact CB-CB 4.45Å; F304-L344 PolarHBondContact N-O 2.9Å; F304-L344 PolarHBondContact O-N 3.44Å; F304-V346 HydrophobicContact CB-CG2 4.01Å; F304-V346 HydrophobicContact CD2-CB 3.66Å; F304-V346 HydrophobicContact CD2-CG1 4.49Å; F304-V346 HydrophobicContact CD2-CG2 3.28Å; F304-V346 HydrophobicContact CE2-CB 3.83Å; F304-V346 HydrophobicContact CE2-CG1 4.25Å; F304-V346 HydrophobicContact CE2-CG2 3.84Å; F304-V346 HydrophobicContact CG-CG2 3.71Å; F304-I354 HydrophobicContact CD1-CD1 4.12Å; F304-I354 HydrophobicContact CG-CD1 4.38Å; F304-A382 HydrophobicContact CB-CB 3.98Å; F304-A382 HydrophobicContact CD1-CB 3.86Å; F304-A382 HydrophobicContact CG-CB 4.37Å; F304-L383 CarbonylContact C-O 3.49Å; F304-L383 VanDerWaalsContact CA-O 3.27Å; F304-L383 WeakPolarHBondContact CA-O 3.33Å; F304-E384 HydrophobicContact CD1-CB 4.08Å; F304-E384 HydrophobicContact CD2-CB 4.47Å; F304-E384 HydrophobicContact CD2-CG 4.32Å; F304-E384 HydrophobicContact CE1-CB 3.67Å; F304-E384 HydrophobicContact CE1-CG 4.32Å; F304-E384 HydrophobicContact CE2-CB 4.1Å; F304-E384 HydrophobicContact CE2-CG 3.84Å; F304-E384 HydrophobicContact CG-CB 4.46Å; F304-E384 HydrophobicContact CZ-CB 3.68Å; F304-E384 HydrophobicContact CZ-CG 3.82Å |
| 305 | K | 94 | Very high | 87.7 | Confident | 113 Ų | 113 | 80.4 Ų | 80.4 | 49% | 0.491 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 131.3 | 171 | -173 | 171.9 | -176.1 | 175.4 | 0 | 109.1 | T307 A382 L383 V385 | K305-T307 PolarHBondContact O-N 2.97Å; K305-A382 WeakPolarHBondContact O-CA 3.35Å; K305-L383 PolarHBondContact N-O 2.92Å; K305-L383 PolarHBondContact O-N 2.94Å; K305-V385 HydrophobicContact CB-CG2 3.7Å |
| 306 | I | 94.2 | Very high | 87.2 | Confident | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 122.3 | 178.7 | -56 | -62 | 0 | 0 | 0 | 109.3 | R308 V338 R339 V340 G341 D342 L344 V377 C381 A382 | I306-R308 VanDerWaalsContact CG2-O 3.27Å; I306-R308 WeakPolarHBondContact CG2-O 3.13Å; I306-V338 HydrophobicContact CD1-CB 4.31Å; I306-V338 HydrophobicContact CD1-CG1 4.49Å; I306-V338 HydrophobicContact CD1-CG2 4.1Å; I306-V338 HydrophobicContact CG1-CB 4.09Å; I306-V338 HydrophobicContact CG1-CG2 4.28Å; I306-V338 HydrophobicContact CG2-CB 4.08Å; I306-V338 HydrophobicContact CG2-CG2 3.77Å; I306-R339 WeakPolarHBondContact CB-O 3.5Å; I306-R339 VanDerWaalsContact CG2-O 3.23Å; I306-R339 WeakPolarHBondContact CG2-O 3.49Å; I306-V340 WeakPolarHBondContact O-CA 3.38Å; I306-G341 PolarHBondContact O-N 3.44Å; I306-D342 HydrophobicContact CB-CB 4.13Å; I306-D342 HydrophobicContact CG1-CB 3.83Å; I306-D342 WeakPolarHBondContact CG1-O 3.17Å; I306-D342 PolarHBondContact N-O 3.44Å; I306-L344 HydrophobicContact CD1-CB 4.1Å; I306-L344 HydrophobicContact CD1-CD2 4.34Å; I306-V377 HydrophobicContact CD1-CG1 4.45Å; I306-C381 CarbonylContact C-O 3.59Å; I306-C381 WeakPolarHBondContact CA-O 3.48Å; I306-A382 HydrophobicContact CD1-CB 3.68Å |
| 307 | T | 93.2 | Very high | 86.7 | Confident | 66 Ų | 66 | 73.3 Ų | 73.3 | 41% | 0.405 | 36% | 0.359 | S | S | . | . | trans | -109.8 | -13.4 | -178.8 | 53.6 | 0 | 0 | 0 | 0 | 113 | K305 V340 C381 L383 | K305-T307 PolarHBondContact O-N 2.97Å; T307-V340 WeakPolarHBondContact O-CG2 3.39Å; T307-C381 PolarHBondContact N-O 3.29Å; T307-C381 PolarHBondContact OG1-O 2.88Å; T307-L383 HydrophobicContact CG2-CB 4.19Å; T307-L383 HydrophobicContact CG2-CD1 3.64Å; T307-L383 HydrophobicContact CG2-CG 3.8Å | ||
| 308 | R | 92.4 | Very high | 86.3 | Confident | 111 Ų | 111 | 78.1 Ų | 78.1 | 42% | 0.419 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -136.3 | 133.7 | 175.2 | -164.8 | 175.3 | -178.2 | -168 | -4.3 | 110.5 | I306 R319 C381 | I306-R308 VanDerWaalsContact CG2-O 3.27Å; I306-R308 WeakPolarHBondContact CG2-O 3.13Å; R308-R319 PolarHBondContact NH1-O 3.5Å; R308-R319 PolarHBondContact NH2-O 3.36Å; R308-C381 HydrophobicContact CB-CB 4.21Å; R308-C381 PolarHBondContact N-O 3.23Å; R308-C381 WeakPolarHBondContact O-CB 3.28Å |
| 309 | N | 92.4 | Very high | 86.1 | Confident | 93 Ų | 93 | 78.1 Ų | 78.1 | 50% | 0.497 | 38% | 0.375 | S | S | . | . | trans | -59.1 | 139.8 | 174.6 | -66.7 | -34.1 | 0 | 0 | 0 | 110.6 | Y320 V338 R339 V340 | N309-Y320 PolarHBondContact O-OH 3.14Å; N309-V338 WeakPolarHBondContact CA-O 3.25Å; N309-R339 VanDerWaalsContact OD1-CA 3.22Å; N309-R339 WeakPolarHBondContact OD1-CA 3.31Å; N309-V340 WeakPolarHBondContact OD1-CG2 3.42Å; N309-V340 PolarHBondContact OD1-N 2.93Å | ||
| 310 | Y | 91.3 | Very high | 86 | Confident | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.008 | 34% | 0.342 | C | S | . | . | B | Isolated β-bridge | trans | -133.4 | 126 | 167.4 | 172.2 | -124.6 | 0 | 0 | 0 | 108.6 | G312 S313 L316 Y320 R335 I336 P337 V338 V377 P378 | Y310-G312 VanDerWaalsContact OH-C 3.3Å; Y310-G312 PolarHBondContact OH-O 2.9Å; Y310-S313 PolarHBondContact OH-O 3.44Å; Y310-S313 VanDerWaalsContact OH-O 3.07Å; Y310-L316 HydrophobicContact CE2-CD2 3.81Å; Y310-Y320 WeakPolarHBondContact CA-OH 3.29Å; Y310-Y320 AromaticContact CD2-CE2 3.63Å; Y310-Y320 HydrophobicContact CD2-CE2 3.63Å; Y310-Y320 AromaticContact CD2-CZ 3.68Å; Y310-Y320 HydrophobicContact CE2-CE2 4.04Å; Y310-R335 HydrophobicContact CE1-CB 4.22Å; Y310-R335 WeakPolarHBondContact OH-CD 3.48Å; Y310-I336 VanDerWaalsContact CD1-O 3.3Å; Y310-I336 WeakPolarHBondContact CD1-O 3.39Å; Y310-P337 CarbonylContact O-C 3.56Å; Y310-P337 WeakPolarHBondContact O-CA 3.42Å; Y310-V338 PolarHBondContact N-O 3.11Å; Y310-V338 PolarHBondContact O-N 3.42Å; Y310-V338 VanDerWaalsContact O-O 3.08Å; Y310-V377 HydrophobicContact CD1-CG1 4.32Å; Y310-P378 HydrophobicContact CD1-CG 4.39Å; Y310-P378 HydrophobicContact CD2-CG 4.16Å; Y310-P378 HydrophobicContact CE1-CG 4.39Å; Y310-P378 HydrophobicContact CE2-CG 4.2Å; Y310-P378 HydrophobicContact CG-CG 4.27Å |
| 311 | D | 89.4 | Confident | 86 | Confident | 87 Ų | 87 | 67 Ų | 67 | 47% | 0.465 | 33% | 0.331 | S | S | . | . | trans | -92 | 5.4 | -174.7 | 54.2 | 2.8 | 0 | 0 | 0 | 113.3 | S313 R319 | D311-S313 PolarHBondContact O-N 3.11Å; D311-S313 WeakPolarHBondContact OD1-CB 3.5Å; D311-S313 PolarHBondContact OD1-N 3.39Å; D311-S313 PolarHBondContact OD1-OG 2.92Å; D311-R319 IonicContact OD1-NH1 2.6Å; D311-R319 IonicContact OD2-CZ 3.08Å; D311-R319 IonicContact OD2-NH1 2.84Å; D311-R319 PolarHBondContact OD2-NH1 2.96Å | ||
| 312 | G | 84.4 | Confident | 86 | Confident | 24 Ų | 24 | 68.7 Ų | 68.7 | 25% | 0.247 | 35% | 0.347 | C | S | . | . | S | Bend | trans | 79.3 | 1.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y310 | Y310-G312 VanDerWaalsContact OH-C 3.3Å; Y310-G312 PolarHBondContact OH-O 2.9Å |
| 313 | S | 78.4 | Confident | 86 | Confident | 31 Ų | 31 | 69.8 Ų | 69.8 | 22% | 0.217 | 36% | 0.357 | C | S | . | . | trans | -64.6 | 157.8 | -174.6 | 64.1 | 0 | 0 | 0 | 0 | 113.6 | Y310 D311 | Y310-S313 PolarHBondContact OH-O 3.44Å; Y310-S313 VanDerWaalsContact OH-O 3.07Å; D311-S313 PolarHBondContact O-N 3.11Å; D311-S313 WeakPolarHBondContact OD1-CB 3.5Å; D311-S313 PolarHBondContact OD1-N 3.39Å; D311-S313 PolarHBondContact OD1-OG 2.92Å | ||
| 314 | R | 74.3 | Confident | 85.7 | Confident | 219 Ų | 219 | 67.6 Ų | 67.6 | 83% | 0.826 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -87.8 | -13.3 | 174 | -62 | -173 | 177.1 | -171.3 | -0 | 113.2 | L316 | R314-L316 PolarHBondContact O-N 3.01Š|
| 315 | C | 76.5 | Confident | 85.3 | Confident | 74 Ų | 74 | 68.5 Ų | 68.5 | 50% | 0.5 | 35% | 0.352 | S | S | . | . | trans | -79.4 | 66.5 | -179.7 | -162.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 316 | L | 80 | Confident | 84.9 | Confident | 4 Ų | 4 | 69.4 Ų | 69.4 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -84.3 | -31.2 | -169.6 | -65.4 | 165.5 | 0 | 0 | 0 | 112.9 | Y310 R314 F318 R319 Y320 G321 A325 W353 P378 | Y310-L316 HydrophobicContact CE2-CD2 3.81Å; R314-L316 PolarHBondContact O-N 3.01Å; L316-F318 PolarHBondContact O-N 3.49Å; L316-R319 PolarHBondContact O-N 3.45Å; L316-Y320 HydrophobicContact CB-CD2 4.5Å; L316-Y320 HydrophobicContact CD2-CD2 3.61Å; L316-Y320 HydrophobicContact CD2-CE2 4.09Å; L316-Y320 PolarHBondContact O-N 3.04Å; L316-G321 PolarHBondContact O-N 3Å; L316-A325 HydrophobicContact CB-CB 3.66Å; L316-A325 HydrophobicContact CD1-CB 4.45Å; L316-W353 HydrophobicContact CD1-CH2 3.77Å; L316-W353 HydrophobicContact CD1-CZ2 3.5Å; L316-W353 VanDerWaalsContact CD1-CZ2 3.5Å; L316-W353 HydrophobicContact CD2-CH2 4.03Å; L316-W353 HydrophobicContact CD2-CZ2 4.31Å; L316-P378 HydrophobicContact CD2-CG 4.27Å |
| 317 | C | 77.9 | Confident | 84.6 | Confident | 54 Ų | 54 | 76.4 Ų | 76.4 | 37% | 0.365 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -56.4 | -49.4 | -172.3 | -65.2 | 0 | 0 | 0 | 0 | 112.3 | G321 A325 | C317-G321 CarbonylContact O-C 3.45Å; C317-G321 VanDerWaalsContact O-CA 3.28Å; C317-G321 WeakPolarHBondContact O-CA 3.47Å; C317-G321 PolarHBondContact O-N 2.95Å; C317-A325 HydrophobicContact CB-CB 4.43Å; C317-A325 WeakPolarHBondContact SG-CB 3.33Å |
| 318 | F | 76.5 | Confident | 84.1 | Confident | 187 Ų | 187 | 74 Ų | 74 | 82% | 0.82 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -76.6 | -29.5 | -175 | -57.8 | -71.2 | 0 | 0 | 0 | 113.1 | L316 | L316-F318 PolarHBondContact O-N 3.49Å |
| 319 | R | 81.6 | Confident | 83.6 | Confident | 123 Ų | 123 | 69.7 Ų | 69.7 | 46% | 0.464 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -93.9 | -42.1 | -175.1 | -72.2 | 179.5 | 131.6 | -174.8 | -2.6 | 112.9 | R308 D311 L316 | R308-R319 PolarHBondContact NH1-O 3.5Å; R308-R319 PolarHBondContact NH2-O 3.36Å; D311-R319 IonicContact OD1-NH1 2.6Å; D311-R319 IonicContact OD2-CZ 3.08Å; D311-R319 IonicContact OD2-NH1 2.84Å; D311-R319 PolarHBondContact OD2-NH1 2.96Å; L316-R319 PolarHBondContact O-N 3.45Å |
| 320 | Y | 83.3 | Confident | 82.5 | Confident | 16 Ų | 16 | 71 Ų | 71 | 6% | 0.063 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -122.1 | 5.1 | -170.3 | -49 | -73.6 | 0 | 0 | 0 | 113.7 | N309 Y310 L316 T324 P378 V380 C381 | N309-Y320 PolarHBondContact O-OH 3.14Å; Y310-Y320 WeakPolarHBondContact CA-OH 3.29Å; Y310-Y320 AromaticContact CD2-CE2 3.63Å; Y310-Y320 HydrophobicContact CD2-CE2 3.63Å; Y310-Y320 AromaticContact CD2-CZ 3.68Å; Y310-Y320 HydrophobicContact CE2-CE2 4.04Å; L316-Y320 HydrophobicContact CB-CD2 4.5Å; L316-Y320 HydrophobicContact CD2-CD2 3.61Å; L316-Y320 HydrophobicContact CD2-CE2 4.09Å; L316-Y320 PolarHBondContact O-N 3.04Å; Y320-T324 WeakPolarHBondContact O-CB 3.38Å; Y320-T324 PolarHBondContact O-OG1 2.92Å; Y320-P378 HydrophobicContact CD1-CB 4.42Å; Y320-P378 HydrophobicContact CD2-CG 4.38Å; Y320-P378 HydrophobicContact CG-CB 4.35Å; Y320-P378 HydrophobicContact CG-CG 4.28Å; Y320-V380 HydrophobicContact CD1-CG2 3.82Å; Y320-V380 HydrophobicContact CG-CG2 4.3Å; Y320-C381 VanDerWaalsContact CD1-SG 3.58Å; Y320-C381 WeakPolarHBondContact CE1-SG 3.47Å |
| 321 | G | 85.5 | Confident | 81.2 | Confident | 33 Ų | 33 | 79 Ų | 79 | 34% | 0.34 | 41% | 0.41 | S | S | . | . | trans | 92.9 | 149.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L316 C317 L323 T324 A325 | L316-G321 PolarHBondContact O-N 3Å; C317-G321 CarbonylContact O-C 3.45Å; C317-G321 VanDerWaalsContact O-CA 3.28Å; C317-G321 WeakPolarHBondContact O-CA 3.47Å; C317-G321 PolarHBondContact O-N 2.95Å; G321-L323 VanDerWaalsContact C-N 3.32Å; G321-L323 PolarHBondContact O-N 3.42Å; G321-T324 WeakPolarHBondContact O-CB 3.32Å; G321-T324 PolarHBondContact O-N 3Å; G321-A325 PolarHBondContact O-N 3.19Å | ||
| 322 | C | 86.2 | Confident | 80.1 | Confident | 78 Ų | 78 | 84.5 Ų | 84.5 | 53% | 0.527 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.4 | -39.4 | -178.2 | -61.2 | 0 | 0 | 0 | 0 | 112.9 | T324 A325 I326 | C322-T324 VanDerWaalsContact C-N 3.32Å; C322-T324 PolarHBondContact O-N 2.78Å; C322-A325 WeakPolarHBondContact O-CB 3.46Å; C322-A325 PolarHBondContact O-N 3.46Å; C322-A325 VanDerWaalsContact O-N 3.16Å; C322-I326 WeakPolarHBondContact O-CB 3.33Å; C322-I326 VanDerWaalsContact O-CG1 3.27Å; C322-I326 WeakPolarHBondContact O-CG1 3.47Å; C322-I326 PolarHBondContact O-N 2.73Å |
| 323 | L | 88.5 | Confident | 80 | Confident | 95 Ų | 95 | 86 Ų | 86 | 50% | 0.497 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66 | -34.6 | 179.9 | -66.8 | 174.2 | 0 | 0 | 0 | 112.6 | G321 A325 R327 Y352 | G321-L323 VanDerWaalsContact C-N 3.32Å; G321-L323 PolarHBondContact O-N 3.42Å; L323-A325 VanDerWaalsContact C-N 3.33Å; L323-R327 VanDerWaalsContact O-CB 3.29Å; L323-R327 WeakPolarHBondContact O-CB 3.29Å; L323-R327 WeakPolarHBondContact O-CG 3.29Å; L323-R327 PolarHBondContact O-N 3.1Å; L323-Y352 HydrophobicContact CB-CD1 4.16Å; L323-Y352 HydrophobicContact CB-CE1 3.57Å; L323-Y352 HydrophobicContact CD1-CE1 4.22Å; L323-Y352 WeakPolarHBondContact CD1-OH 3.22Å |
| 324 | T | 85.6 | Confident | 80.3 | Confident | 5 Ų | 5 | 87.4 Ų | 87.4 | 3% | 0.031 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 173.4 | -55.4 | 0 | 0 | 0 | 0 | 110.7 | Y320 G321 C322 S328 W353 P378 | Y320-T324 WeakPolarHBondContact O-CB 3.38Å; Y320-T324 PolarHBondContact O-OG1 2.92Å; G321-T324 WeakPolarHBondContact O-CB 3.32Å; G321-T324 PolarHBondContact O-N 3Å; C322-T324 VanDerWaalsContact C-N 3.32Å; C322-T324 PolarHBondContact O-N 2.78Å; T324-S328 PolarHBondContact O-N 2.91Å; T324-W353 HydrophobicContact CG2-CZ2 4.12Å; T324-W353 PolarHBondContact O-NE1 3.24Å; T324-P378 HydrophobicContact CG2-CB 3.95Å; T324-P378 HydrophobicContact CG2-CG 4.38Å |
| 325 | A | 85.8 | Confident | 81 | Confident | 23 Ų | 23 | 80.5 Ų | 80.5 | 19% | 0.19 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -66.4 | -50.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L316 C317 G321 C322 L323 R327 S328 | L316-A325 HydrophobicContact CB-CB 3.66Å; L316-A325 HydrophobicContact CD1-CB 4.45Å; C317-A325 HydrophobicContact CB-CB 4.43Å; C317-A325 WeakPolarHBondContact SG-CB 3.33Å; G321-A325 PolarHBondContact O-N 3.19Å; C322-A325 WeakPolarHBondContact O-CB 3.46Å; C322-A325 PolarHBondContact O-N 3.46Å; C322-A325 VanDerWaalsContact O-N 3.16Å; L323-A325 VanDerWaalsContact C-N 3.33Å; A325-R327 VanDerWaalsContact C-N 3.3Å; A325-R327 PolarHBondContact O-N 3.46Å; A325-S328 VanDerWaalsContact O-CB 3.31Å; A325-S328 WeakPolarHBondContact O-CB 3.22Å; A325-S328 PolarHBondContact O-N 3.24Å |
| 326 | I | 86.4 | Confident | 81.7 | Confident | 131 Ų | 131 | 77.4 Ų | 77.4 | 67% | 0.672 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.1 | -40.1 | -179.6 | -67.7 | 164.9 | 0 | 0 | 0 | 110.7 | C322 S328 | C322-I326 WeakPolarHBondContact O-CB 3.33Å; C322-I326 VanDerWaalsContact O-CG1 3.27Å; C322-I326 WeakPolarHBondContact O-CG1 3.47Å; C322-I326 PolarHBondContact O-N 2.73Å; I326-S328 VanDerWaalsContact C-N 3.26Å; I326-S328 PolarHBondContact O-N 2.89Å |
| 327 | R | 86.3 | Confident | 82.3 | Confident | 148 Ų | 148 | 81 Ų | 81 | 56% | 0.558 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 26.3 | 179.3 | -58.2 | -150.6 | -173.3 | -176.3 | -5.7 | 113.3 | L323 A325 Y352 W353 | L323-R327 VanDerWaalsContact O-CB 3.29Å; L323-R327 WeakPolarHBondContact O-CB 3.29Å; L323-R327 WeakPolarHBondContact O-CG 3.29Å; L323-R327 PolarHBondContact O-N 3.1Å; A325-R327 VanDerWaalsContact C-N 3.3Å; A325-R327 PolarHBondContact O-N 3.46Å; R327-Y352 HydrophobicContact CB-CD2 3.94Å; R327-Y352 HydrophobicContact CG-CD2 4.11Å; R327-Y352 HydrophobicContact CG-CE2 4.23Å; R327-W353 PolarHBondContact O-NE1 3.48Å |
| 328 | S | 84.1 | Confident | 83 | Confident | 15 Ų | 15 | 78.6 Ų | 78.6 | 11% | 0.105 | 40% | 0.401 | C | S | . | . | trans | -58.9 | 135.4 | 171.4 | -178.7 | 0 | 0 | 0 | 0 | 110.2 | T324 A325 I326 C330 R335 | T324-S328 PolarHBondContact O-N 2.91Å; A325-S328 VanDerWaalsContact O-CB 3.31Å; A325-S328 WeakPolarHBondContact O-CB 3.22Å; A325-S328 PolarHBondContact O-N 3.24Å; I326-S328 VanDerWaalsContact C-N 3.26Å; I326-S328 PolarHBondContact O-N 2.89Å; S328-C330 PolarHBondContact O-N 3.42Å; S328-R335 PolarHBondContact OG-NH2 3.36Å | ||
| 329 | P | 81.1 | Confident | 83.7 | Confident | 22 Ų | 22 | 78.8 Ų | 78.8 | 14% | 0.143 | 40% | 0.397 | C | S | . | . | trans | -55.3 | 123.7 | 162.7 | -19.9 | 30.4 | 0 | 0 | 0 | 108.5 | W353 W376 | P329-W353 VanDerWaalsContact CD-CD2 3.49Å; P329-W353 HydrophobicContact CG-CB 4.08Å; P329-W353 HydrophobicContact CG-CD2 4.14Å; P329-W353 HydrophobicContact CG-CG 3.96Å; P329-W376 HydrophobicContact CB-CD2 4.01Å; P329-W376 HydrophobicContact CB-CG 4.18Å; P329-W376 HydrophobicContact CB-CZ2 4.25Å; P329-W376 HydrophobicContact CG-CB 4.43Å; P329-W376 HydrophobicContact CG-CD2 3.46Å; P329-W376 VanDerWaalsContact CG-CD2 3.46Å; P329-W376 HydrophobicContact CG-CE3 3.7Å; P329-W376 HydrophobicContact CG-CG 3.81Å; P329-W376 HydrophobicContact CG-CH2 4.32Å; P329-W376 HydrophobicContact CG-CZ2 4.15Å; P329-W376 HydrophobicContact CG-CZ3 4.11Å | ||
| 330 | C | 70.3 | Confident | 84.3 | Confident | 121 Ų | 121 | 77 Ų | 77 | 82% | 0.818 | 40% | 0.399 | S | S | * | . | trans | -93.8 | -1.8 | 177.8 | -65 | 0 | 0 | 0 | 0 | 112.7 | S328 | S328-C330 PolarHBondContact O-N 3.42Š| ||
| 331 | F | 63.7 | Low | 84.6 | Confident | 168 Ų | 168 | 78 Ų | 78 | 74% | 0.737 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -82 | 164.1 | -173.3 | -59.5 | -73.8 | 0 | 0 | 0 | 112.8 | E333 | F331-E333 PolarHBondContact O-N 2.86Š|
| 332 | E | 65.7 | Low | 85 | Confident | 204 Ų | 204 | 78.2 Ų | 78.2 | 95% | 0.953 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -53.1 | -3.2 | -175.7 | -63.4 | -174.6 | 158.9 | 0 | 0 | 116.6 | ||
| 333 | E | 81.6 | Confident | 85.3 | Confident | 54 Ų | 54 | 76.9 Ų | 76.9 | 25% | 0.252 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -82.2 | 130.1 | -176.5 | -71 | 172.9 | -179.5 | 0 | 0 | 111.1 | F331 R348 Y355 W376 | F331-E333 PolarHBondContact O-N 2.86Å; E333-R348 IonicContact OE1-CZ 2.66Å; E333-R348 IonicContact OE1-NH1 2.57Å; E333-R348 IonicContact OE1-NH2 2.7Å; E333-R348 PolarHBondContact OE1-NH2 3.45Å; E333-R348 IonicContact OE2-CZ 3.95Å; E333-R348 IonicContact OE2-NH2 3.36Å; E333-R348 PolarHBondContact OE2-NH2 2.97Å; E333-Y355 HydrophobicContact CB-CE2 3.98Å; E333-Y355 HydrophobicContact CG-CE2 4.27Å; E333-Y355 WeakPolarHBondContact OE2-CE2 3.35Å; E333-W376 PolarHBondContact OE2-NE1 2.91Å |
| 334 | P | 85.7 | Confident | 85.4 | Confident | 61 Ų | 61 | 72.4 Ų | 72.4 | 40% | 0.396 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 155.4 | -172.1 | 30.4 | -36.2 | 0 | 0 | 0 | 111.2 | R374 G375 W376 | P334-R374 WeakPolarHBondContact CG-O 3.37Å; P334-G375 CarbonylContact O-C 3.25Å; P334-G375 WeakPolarHBondContact O-CA 3.4Å; P334-W376 PolarHBondContact O-N 3.26Å |
| 335 | R | 89.4 | Confident | 85.7 | Confident | 75 Ų | 75 | 73.9 Ų | 73.9 | 28% | 0.283 | 38% | 0.381 | S | S | . | . | B | Isolated β-bridge | trans | -89.8 | 137.6 | 163.4 | -57.8 | -178.7 | -163 | 164.3 | 2.5 | 107.5 | Y310 S328 W353 W376 | Y310-R335 HydrophobicContact CE1-CB 4.22Å; Y310-R335 WeakPolarHBondContact OH-CD 3.48Å; S328-R335 PolarHBondContact OG-NH2 3.36Å; R335-W353 HydrophobicContact CG-CZ3 4.48Å; R335-W376 WeakPolarHBondContact CA-O 3.44Å; R335-W376 HydrophobicContact CG-CB 4.39Å |
| 336 | I | 90.6 | Very high | 86 | Confident | 8 Ų | 8 | 73 Ų | 73 | 4% | 0.041 | 37% | 0.373 | C | S | . | . | trans | -111 | 135.1 | -178.9 | 54.2 | 170.6 | 0 | 0 | 0 | 109.9 | Y310 V338 L344 L358 T373 W376 V377 | Y310-I336 VanDerWaalsContact CD1-O 3.3Å; Y310-I336 WeakPolarHBondContact CD1-O 3.39Å; I336-V338 HydrophobicContact CD1-CG1 4.39Å; I336-V338 HydrophobicContact CG1-CG1 4.33Å; I336-L344 HydrophobicContact CD1-CD1 4.02Å; I336-L358 HydrophobicContact CD1-CD1 4.25Å; I336-L358 HydrophobicContact CD1-CG 4.09Å; I336-T373 HydrophobicContact CB-CG2 4.22Å; I336-T373 HydrophobicContact CG2-CG2 3.61Å; I336-W376 PolarHBondContact N-O 3.19Å; I336-V377 HydrophobicContact CD1-CG2 4.09Å; I336-V377 HydrophobicContact CG1-CG2 3.63Å | ||
| 337 | P | 92.2 | Very high | 86 | Confident | 80 Ų | 80 | 68 Ų | 68 | 52% | 0.519 | 35% | 0.349 | S | S | . | . | trans | -67.8 | 141.9 | 169.4 | 30.3 | -33.4 | 0 | 0 | 0 | 109.3 | Y310 | Y310-P337 CarbonylContact O-C 3.56Å; Y310-P337 WeakPolarHBondContact O-CA 3.42Å | ||
| 338 | V | 92.2 | Very high | 86 | Confident | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.018 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -137.9 | 147 | 178.1 | -62.5 | 0 | 0 | 0 | 0 | 110.2 | I306 N309 Y310 I336 D342 L358 V377 | I306-V338 HydrophobicContact CD1-CB 4.31Å; I306-V338 HydrophobicContact CD1-CG1 4.49Å; I306-V338 HydrophobicContact CD1-CG2 4.1Å; I306-V338 HydrophobicContact CG1-CB 4.09Å; I306-V338 HydrophobicContact CG1-CG2 4.28Å; I306-V338 HydrophobicContact CG2-CB 4.08Å; I306-V338 HydrophobicContact CG2-CG2 3.77Å; N309-V338 WeakPolarHBondContact CA-O 3.25Å; Y310-V338 PolarHBondContact N-O 3.11Å; Y310-V338 PolarHBondContact O-N 3.42Å; Y310-V338 VanDerWaalsContact O-O 3.08Å; I336-V338 HydrophobicContact CD1-CG1 4.39Å; I336-V338 HydrophobicContact CG1-CG1 4.33Å; V338-D342 WeakPolarHBondContact CA-OD2 3.46Å; V338-L358 HydrophobicContact CG1-CD1 4.37Å; V338-L358 HydrophobicContact CG1-CD2 3.94Å; V338-L358 HydrophobicContact CG1-CG 4.47Å; V338-V377 HydrophobicContact CG1-CG1 4.5Å; V338-V377 HydrophobicContact CG1-CG2 3.74Å; V338-V377 HydrophobicContact CG2-CG1 3.72Å; V338-V377 HydrophobicContact CG2-CG2 4.38Å |
| 339 | R | 92.9 | Very high | 86.2 | Confident | 191 Ų | 191 | 64.6 Ų | 64.6 | 72% | 0.721 | 34% | 0.336 | S | S | * | . | trans | -114.6 | 153.7 | 179.4 | -63.6 | -177.4 | -179.6 | -170.5 | 0.6 | 110.9 | I306 N309 G341 D342 | I306-R339 WeakPolarHBondContact CB-O 3.5Å; I306-R339 VanDerWaalsContact CG2-O 3.23Å; I306-R339 WeakPolarHBondContact CG2-O 3.49Å; N309-R339 VanDerWaalsContact OD1-CA 3.22Å; N309-R339 WeakPolarHBondContact OD1-CA 3.31Å; R339-G341 PolarHBondContact O-N 3.24Å; R339-D342 PolarHBondContact N-OD2 3.07Å; R339-D342 VanDerWaalsContact O-CB 3.27Å; R339-D342 WeakPolarHBondContact O-CB 3.48Å; R339-D342 VanDerWaalsContact O-CG 3.27Å; R339-D342 PolarHBondContact O-N 3.2Å | ||
| 340 | V | 93.3 | Very high | 86.5 | Confident | 85 Ų | 85 | 65.4 Ų | 65.4 | 52% | 0.515 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 128.9 | 173.4 | 178.5 | 0 | 0 | 0 | 0 | 109.1 | I306 T307 N309 | I306-V340 WeakPolarHBondContact O-CA 3.38Å; T307-V340 WeakPolarHBondContact O-CG2 3.39Å; N309-V340 WeakPolarHBondContact OD1-CG2 3.42Å; N309-V340 PolarHBondContact OD1-N 2.93Å |
| 341 | G | 90.1 | Very high | 87.3 | Confident | 38 Ų | 38 | 66.5 Ų | 66.5 | 39% | 0.392 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 104.3 | -24.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | I306 R339 | I306-G341 PolarHBondContact O-N 3.44Å; R339-G341 PolarHBondContact O-N 3.24Å |
| 342 | D | 92.3 | Very high | 88.6 | Confident | 38 Ų | 38 | 59.9 Ų | 59.9 | 20% | 0.203 | 30% | 0.302 | C | S | . | . | trans | -59.1 | 146.5 | 176.9 | -70 | -9.1 | 0 | 0 | 0 | 111.2 | I306 V338 R339 L358 | I306-D342 HydrophobicContact CB-CB 4.13Å; I306-D342 HydrophobicContact CG1-CB 3.83Å; I306-D342 WeakPolarHBondContact CG1-O 3.17Å; I306-D342 PolarHBondContact N-O 3.44Å; V338-D342 WeakPolarHBondContact CA-OD2 3.46Å; R339-D342 PolarHBondContact N-OD2 3.07Å; R339-D342 VanDerWaalsContact O-CB 3.27Å; R339-D342 WeakPolarHBondContact O-CB 3.48Å; R339-D342 VanDerWaalsContact O-CG 3.27Å; R339-D342 PolarHBondContact O-N 3.2Å; D342-L358 HydrophobicContact CB-CD2 3.81Å | ||
| 343 | V | 92.7 | Very high | 89.9 | Confident | 50 Ų | 50 | 50.2 Ų | 50.2 | 30% | 0.303 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 121.5 | 174.1 | -179.4 | 0 | 0 | 0 | 0 | 109 | T303 V359 | T303-V343 HydrophobicContact CG2-CG1 3.47Å; T303-V343 VanDerWaalsContact CG2-CG1 3.47Å; V343-V359 HydrophobicContact CB-CB 4.27Å; V343-V359 HydrophobicContact CB-CG2 4.4Å; V343-V359 HydrophobicContact CG1-CB 4.42Å; V343-V359 HydrophobicContact CG1-CG2 4.06Å; V343-V359 PolarHBondContact O-N 3.48Å |
| 344 | L | 92.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 119.4 | 180 | -172.3 | 74.5 | 0 | 0 | 0 | 109.9 | F304 I306 I336 V346 I354 L358 V377 | F304-L344 HydrophobicContact CB-CB 4.45Å; F304-L344 PolarHBondContact N-O 2.9Å; F304-L344 PolarHBondContact O-N 3.44Å; I306-L344 HydrophobicContact CD1-CB 4.1Å; I306-L344 HydrophobicContact CD1-CD2 4.34Å; I336-L344 HydrophobicContact CD1-CD1 4.02Å; L344-V346 HydrophobicContact CD2-CG2 3.77Å; L344-V346 HydrophobicContact CG-CG2 4.01Å; L344-V346 PolarHBondContact O-N 2.91Å; L344-I354 HydrophobicContact CD2-CD1 3.74Å; L344-I354 HydrophobicContact CD2-CG1 4.06Å; L344-L358 HydrophobicContact CD1-CD2 4.22Å; L344-L358 HydrophobicContact CD1-CG 4.36Å; L344-V377 HydrophobicContact CD2-CB 4.28Å; L344-V377 HydrophobicContact CD2-CG2 4.12Å |
| 345 | M | 91.9 | Very high | 90.7 | Very high | 37 Ų | 37 | 45.4 Ų | 45.4 | 18% | 0.182 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 98.8 | 172.7 | -69.8 | -60.5 | -72.8 | 0 | 0 | 109.4 | Q301 T303 G356 H357 V359 | Q301-M345 HydrophobicContact CB-CE 3.9Å; T303-M345 HydrophobicContact CG2-SD 3.95Å; T303-M345 PolarHBondContact OG1-SD 3.11Å; M345-G356 CarbonylContact O-C 3.56Å; M345-G356 WeakPolarHBondContact O-CA 3.29Å; M345-H357 WeakPolarHBondContact CB-CE1 3.44Å; M345-H357 PolarHBondContact N-O 2.78Å; M345-H357 PolarHBondContact O-N 2.89Å; M345-H357 VanDerWaalsContact O-N 3.11Å; M345-V359 HydrophobicContact CB-CG2 4.4Å; M345-V359 HydrophobicContact CG-CG2 3.37Å; M345-V359 HydrophobicContact SD-CG2 4.45Å |
| 346 | V | 91.1 | Very high | 90.8 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.03 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 128.8 | -174.6 | 178.5 | 0 | 0 | 0 | 0 | 110.1 | Q301 R302 F304 L344 R348 I354 | Q301-V346 WeakPolarHBondContact CA-O 3.31Å; R302-V346 PolarHBondContact N-O 2.98Å; R302-V346 PolarHBondContact O-N 2.85Å; F304-V346 HydrophobicContact CB-CG2 4.01Å; F304-V346 HydrophobicContact CD2-CB 3.66Å; F304-V346 HydrophobicContact CD2-CG1 4.49Å; F304-V346 HydrophobicContact CD2-CG2 3.28Å; F304-V346 HydrophobicContact CE2-CB 3.83Å; F304-V346 HydrophobicContact CE2-CG1 4.25Å; F304-V346 HydrophobicContact CE2-CG2 3.84Å; F304-V346 HydrophobicContact CG-CG2 3.71Å; L344-V346 HydrophobicContact CD2-CG2 3.77Å; L344-V346 HydrophobicContact CG-CG2 4.01Å; L344-V346 PolarHBondContact O-N 2.91Å; V346-R348 VanDerWaalsContact CG1-O 3.28Å; V346-R348 WeakPolarHBondContact CG1-O 3.36Å; V346-I354 HydrophobicContact CG1-CB 3.94Å; V346-I354 HydrophobicContact CG1-CG2 4.22Å; V346-I354 HydrophobicContact CG2-CB 4.06Å; V346-I354 HydrophobicContact CG2-CD1 3.93Å; V346-I354 HydrophobicContact CG2-CG1 4.36Å |
| 347 | T | 86.7 | Confident | 90.8 | Very high | 25 Ų | 25 | 43 Ų | 43 | 15% | 0.153 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | -25.7 | 179.2 | 57.2 | 0 | 0 | 0 | 0 | 113.5 | K297 Q301 Y355 | K297-T347 VanDerWaalsContact CE-CB 3.4Å; Q301-T347 HydrophobicContact CG-CG2 3.74Å; T347-Y355 PolarHBondContact N-O 2.88Å; T347-Y355 PolarHBondContact OG1-O 3.36Å |
| 348 | R | 87 | Confident | 90.8 | Very high | 85 Ų | 85 | 40.8 Ų | 40.8 | 32% | 0.321 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 168.5 | 176.3 | 63.9 | 175.9 | 171.9 | -161.9 | -14.3 | 109.1 | E333 V346 Y355 | E333-R348 IonicContact OE1-CZ 2.66Å; E333-R348 IonicContact OE1-NH1 2.57Å; E333-R348 IonicContact OE1-NH2 2.7Å; E333-R348 PolarHBondContact OE1-NH2 3.45Å; E333-R348 IonicContact OE2-CZ 3.95Å; E333-R348 IonicContact OE2-NH2 3.36Å; E333-R348 PolarHBondContact OE2-NH2 2.97Å; V346-R348 VanDerWaalsContact CG1-O 3.28Å; V346-R348 WeakPolarHBondContact CG1-O 3.36Å; R348-Y355 HydrophobicContact CG-CD1 4.32Å; R348-Y355 HydrophobicContact CG-CG 4.41Å; R348-Y355 PolarHBondContact N-O 3.35Å; R348-Y355 PolarHBondContact O-N 3.06Å |
| 349 | G | 86.5 | Confident | 90.6 | Very high | 7 Ų | 7 | 43.3 Ų | 43.3 | 7% | 0.072 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.2 | 178.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | W353 L396 | G349-W353 CarbonylContact C-O 3.41Å; G349-W353 WeakPolarHBondContact CA-O 3.31Å; G349-L396 WeakPolarHBondContact O-CB 3.45Å |
| 350 | T | 87.8 | Confident | 89.9 | Confident | 39 Ų | 39 | 37.4 Ų | 37.4 | 24% | 0.239 | 21% | 0.206 | C | C | . | . | trans | -120.4 | -171.8 | 168.7 | 69.3 | 0 | 0 | 0 | 0 | 108.5 | Y352 W353 | T350-Y352 PolarHBondContact O-N 3.25Å; T350-Y352 PolarHBondContact OG1-N 3.42Å; T350-W353 PolarHBondContact N-O 3.21Å; T350-W353 PolarHBondContact OG1-N 2.99Å | ||
| 351 | K | 88.1 | Confident | 88.4 | Confident | 143 Ų | 143 | 38.2 Ų | 38.2 | 62% | 0.622 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -57.8 | -32.5 | 173.5 | -174.5 | 173.5 | 178 | -177.3 | 0 | 113.1 | R379 | K351-R379 WeakPolarHBondContact O-CD 3.09Š|
| 352 | Y | 90.8 | Very high | 86.7 | Confident | 30 Ų | 30 | 45.2 Ų | 45.2 | 12% | 0.118 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -115 | -15.3 | -171.5 | -58.1 | -82.1 | 0 | 0 | 0 | 114.4 | L323 R327 T350 R379 | L323-Y352 HydrophobicContact CB-CD1 4.16Å; L323-Y352 HydrophobicContact CB-CE1 3.57Å; L323-Y352 HydrophobicContact CD1-CE1 4.22Å; L323-Y352 WeakPolarHBondContact CD1-OH 3.22Å; R327-Y352 HydrophobicContact CB-CD2 3.94Å; R327-Y352 HydrophobicContact CG-CD2 4.11Å; R327-Y352 HydrophobicContact CG-CE2 4.23Å; T350-Y352 PolarHBondContact O-N 3.25Å; T350-Y352 PolarHBondContact OG1-N 3.42Å; Y352-R379 WeakPolarHBondContact O-CB 3.44Å; Y352-R379 PolarHBondContact O-N 2.91Å |
| 353 | W | 92.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 144.5 | -173.7 | -71.3 | 89.1 | 0 | 0 | 0 | 111.2 | L316 T324 R327 P329 R335 G349 T350 W376 V377 P378 | L316-W353 HydrophobicContact CD1-CH2 3.77Å; L316-W353 HydrophobicContact CD1-CZ2 3.5Å; L316-W353 VanDerWaalsContact CD1-CZ2 3.5Å; L316-W353 HydrophobicContact CD2-CH2 4.03Å; L316-W353 HydrophobicContact CD2-CZ2 4.31Å; T324-W353 HydrophobicContact CG2-CZ2 4.12Å; T324-W353 PolarHBondContact O-NE1 3.24Å; R327-W353 PolarHBondContact O-NE1 3.48Å; P329-W353 VanDerWaalsContact CD-CD2 3.49Å; P329-W353 HydrophobicContact CG-CB 4.08Å; P329-W353 HydrophobicContact CG-CD2 4.14Å; P329-W353 HydrophobicContact CG-CG 3.96Å; R335-W353 HydrophobicContact CG-CZ3 4.48Å; G349-W353 CarbonylContact C-O 3.41Å; G349-W353 WeakPolarHBondContact CA-O 3.31Å; T350-W353 PolarHBondContact N-O 3.21Å; T350-W353 PolarHBondContact OG1-N 2.99Å; W353-W376 HydrophobicContact CB-CE3 3.68Å; W353-W376 HydrophobicContact CB-CZ3 3.88Å; W353-W376 HydrophobicContact CE3-CB 3.88Å; W353-W376 HydrophobicContact CZ3-CB 4.15Å; W353-V377 VanDerWaalsContact CE3-C 3.44Å; W353-P378 HydrophobicContact CE3-CG 4.35Å; W353-P378 HydrophobicContact CH2-CG 4.03Å; W353-P378 HydrophobicContact CZ3-CG 3.89Å |
| 354 | I | 93.2 | Very high | 81.6 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 144.7 | 175 | 54.3 | 178.6 | 0 | 0 | 0 | 109 | F304 L344 V346 W376 V377 R379 A382 | F304-I354 HydrophobicContact CD1-CD1 4.12Å; F304-I354 HydrophobicContact CG-CD1 4.38Å; L344-I354 HydrophobicContact CD2-CD1 3.74Å; L344-I354 HydrophobicContact CD2-CG1 4.06Å; V346-I354 HydrophobicContact CG1-CB 3.94Å; V346-I354 HydrophobicContact CG1-CG2 4.22Å; V346-I354 HydrophobicContact CG2-CB 4.06Å; V346-I354 HydrophobicContact CG2-CD1 3.93Å; V346-I354 HydrophobicContact CG2-CG1 4.36Å; I354-W376 WeakPolarHBondContact O-CA 3.13Å; I354-V377 HydrophobicContact CG1-CB 4.19Å; I354-V377 WeakPolarHBondContact CG1-O 3.23Å; I354-V377 PolarHBondContact N-O 3.23Å; I354-V377 PolarHBondContact O-N 3.18Å; I354-R379 HydrophobicContact CG2-CB 4.06Å; I354-R379 HydrophobicContact CG2-CG 3.9Å; I354-A382 HydrophobicContact CD1-CB 3.44Å; I354-A382 VanDerWaalsContact CD1-CB 3.44Å |
| 355 | Y | 92 | Very high | 78.7 | Confident | 14 Ų | 14 | 59.3 Ų | 59.3 | 6% | 0.055 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 120.9 | 179.7 | -174.7 | -91.2 | 0 | 0 | 0 | 110 | E333 T347 R348 G375 W376 | E333-Y355 HydrophobicContact CB-CE2 3.98Å; E333-Y355 HydrophobicContact CG-CE2 4.27Å; E333-Y355 WeakPolarHBondContact OE2-CE2 3.35Å; T347-Y355 PolarHBondContact N-O 2.88Å; T347-Y355 PolarHBondContact OG1-O 3.36Å; R348-Y355 HydrophobicContact CG-CD1 4.32Å; R348-Y355 HydrophobicContact CG-CG 4.41Å; R348-Y355 PolarHBondContact N-O 3.35Å; R348-Y355 PolarHBondContact O-N 3.06Å; Y355-G375 WeakPolarHBondContact CA-O 3.49Å; Y355-G375 VanDerWaalsContact CD2-C 3.41Å; Y355-G375 WeakPolarHBondContact CD2-O 3.48Å; Y355-W376 AromaticContact CD2-CD1 3.69Å; Y355-W376 AromaticContact CD2-CD2 3.74Å; Y355-W376 HydrophobicContact CD2-CD2 3.74Å; Y355-W376 AromaticContact CD2-CE2 3.66Å; Y355-W376 HydrophobicContact CD2-CE3 4.42Å; Y355-W376 AromaticContact CD2-CG 3.81Å; Y355-W376 HydrophobicContact CD2-CG 3.81Å; Y355-W376 HydrophobicContact CD2-CZ2 4.29Å; Y355-W376 AromaticContact CD2-NE1 3.55Å; Y355-W376 HydrophobicContact CG-CD2 4.3Å; Y355-W376 HydrophobicContact CG-CZ2 4.44Å |
| 356 | G | 90.8 | Very high | 75.8 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | -177.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | M345 R374 G375 | M345-G356 CarbonylContact O-C 3.56Å; M345-G356 WeakPolarHBondContact O-CA 3.29Å; G356-R374 VanDerWaalsContact O-CA 3.28Å; G356-R374 WeakPolarHBondContact O-CA 3.21Å; G356-G375 PolarHBondContact N-O 2.81Å; G356-G375 PolarHBondContact O-N 2.89Å; G356-G375 VanDerWaalsContact O-N 3.08Å |
| 357 | H | 91.2 | Very high | 73.2 | Confident | 30 Ų | 30 | 75.1 Ų | 75.1 | 14% | 0.139 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 144.2 | 167.5 | 62.6 | -76.5 | 0 | 0 | 0 | 110.1 | Q301 M345 T373 R374 | Q301-H357 PolarHBondContact OE1-CE1 2.74Å; M345-H357 WeakPolarHBondContact CB-CE1 3.44Å; M345-H357 PolarHBondContact N-O 2.78Å; M345-H357 PolarHBondContact O-N 2.89Å; M345-H357 VanDerWaalsContact O-N 3.11Å; H357-T373 VanDerWaalsContact CA-O 3.3Å; H357-T373 WeakPolarHBondContact CA-O 3.27Å; H357-R374 HydrophobicContact CB-CG 3.55Å |
| 358 | L | 91.5 | Very high | 70.7 | Confident | 35 Ų | 35 | 77.8 Ų | 77.8 | 18% | 0.183 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 133.5 | 170.3 | -74.4 | 167.9 | 0 | 0 | 0 | 109.6 | I336 V338 D342 L344 T373 | I336-L358 HydrophobicContact CD1-CD1 4.25Å; I336-L358 HydrophobicContact CD1-CG 4.09Å; V338-L358 HydrophobicContact CG1-CD1 4.37Å; V338-L358 HydrophobicContact CG1-CD2 3.94Å; V338-L358 HydrophobicContact CG1-CG 4.47Å; D342-L358 HydrophobicContact CB-CD2 3.81Å; L344-L358 HydrophobicContact CD1-CD2 4.22Å; L344-L358 HydrophobicContact CD1-CG 4.36Å; L358-T373 HydrophobicContact CD1-CG2 4.32Å; L358-T373 PolarHBondContact N-O 3.24Å; L358-T373 VanDerWaalsContact N-O 3.07Å |
| 359 | V | 87.3 | Confident | 68.5 | Low | 55 Ų | 55 | 79.7 Ų | 79.7 | 33% | 0.333 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 121.9 | 170.7 | -174.2 | 0 | 0 | 0 | 0 | 107.5 | V343 M345 S361 | V343-V359 HydrophobicContact CB-CB 4.27Å; V343-V359 HydrophobicContact CB-CG2 4.4Å; V343-V359 HydrophobicContact CG1-CB 4.42Å; V343-V359 HydrophobicContact CG1-CG2 4.06Å; V343-V359 PolarHBondContact O-N 3.48Å; M345-V359 HydrophobicContact CB-CG2 4.4Å; M345-V359 HydrophobicContact CG-CG2 3.37Å; M345-V359 HydrophobicContact SD-CG2 4.45Å; V359-S361 PolarHBondContact O-N 2.97Å |
| 360 | P | 78 | Confident | 66.7 | Low | 68 Ų | 68 | 83.4 Ų | 83.4 | 44% | 0.442 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 131.9 | 173.4 | -22.5 | 33 | 0 | 0 | 0 | 110.2 | E362 | P360-E362 PolarHBondContact O-N 2.92Š|
| 361 | S | 62.5 | Low | 65.2 | Low | 102 Ų | 102 | 87.3 Ų | 87.3 | 71% | 0.713 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -73.4 | -9.6 | -174.8 | -59.1 | 0 | 0 | 0 | 0 | 113.8 | V359 | V359-S361 PolarHBondContact O-N 2.97Š|
| 362 | E | 53.7 | Low | 64.4 | Low | 184 Ų | 184 | 85 Ų | 85 | 86% | 0.86 | 47% | 0.474 | S | S | * | . | trans | -145.5 | 106.2 | 176.2 | -66.8 | -179.4 | 170.5 | 0 | 0 | 109.5 | P360 | P360-E362 PolarHBondContact O-N 2.92Š| ||
| 363 | S | 42.1 | Very low | 64 | Low | 91 Ų | 91 | 87 Ų | 87 | 64% | 0.636 | 49% | 0.489 | S | S | * | . | trans | -150 | 65.5 | 163.2 | 66.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 364 | F | 35.6 | Very low | 63.8 | Low | 228 Ų | 228 | 92.1 Ų | 92.1 | 100% | 1 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -86.8 | 97.8 | 148.1 | -96.2 | -93 | 0 | 0 | 0 | 106.1 | ||
| 365 | G | 31.7 | Very low | 63.7 | Low | 65 Ų | 65 | 92.1 Ų | 92.1 | 67% | 0.67 | 51% | 0.508 | S | S | * | . | S | Bend | trans | 118.9 | 122 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 366 | D | 32.6 | Very low | 63.7 | Low | 144 Ų | 144 | 92.4 Ų | 92.4 | 77% | 0.77 | 51% | 0.509 | S | S | * | . | trans | 60.6 | 102.2 | 176.1 | -74.2 | -11 | 0 | 0 | 0 | 119.2 | S368 | D366-S368 PolarHBondContact O-N 2.75Š| ||
| 367 | F | 36.3 | Very low | 63.8 | Low | 231 Ų | 231 | 92.4 Ų | 92.4 | 100% | 1.013 | 51% | 0.509 | S | S | * | . | trans | -67.3 | 52.3 | 163.3 | -91.6 | -93.5 | 0 | 0 | 0 | 112.2 | ||||
| 368 | S | 32.6 | Very low | 63.9 | Low | 80 Ų | 80 | 91 Ų | 91 | 56% | 0.559 | 50% | 0.502 | S | S | * | . | trans | -129.4 | 130.7 | 177.4 | 71.8 | 0 | 0 | 0 | 0 | 113.1 | D366 S370 | D366-S368 PolarHBondContact O-N 2.75Å; S368-S370 PolarHBondContact O-N 3.46Å | ||
| 369 | D | 41.7 | Very low | 63.9 | Low | 126 Ų | 126 | 92.6 Ų | 92.6 | 67% | 0.674 | 51% | 0.506 | S | S | * | . | trans | 71.1 | -1 | 160.5 | -73.5 | -5.7 | 0 | 0 | 0 | 122.9 | R103 V371 | R103-D369 IonicContact NH2-OD2 3.9Å; R103-D369 PolarHBondContact NH2-OD2 3.04Å; D369-V371 PolarHBondContact O-N 3.1Å | ||
| 370 | S | 48 | Very low | 64.1 | Low | 84 Ų | 84 | 93.6 Ų | 93.6 | 59% | 0.587 | 51% | 0.512 | S | S | * | . | trans | -73.7 | 105.5 | 169.7 | 68.3 | 0 | 0 | 0 | 0 | 111.7 | S368 E372 | S368-S370 PolarHBondContact O-N 3.46Å; S370-E372 PolarHBondContact O-N 3.29Å | ||
| 371 | V | 57.9 | Low | 64.8 | Low | 122 Ų | 122 | 90.3 Ų | 90.3 | 74% | 0.739 | 49% | 0.491 | S | S | * | . | trans | -62.5 | 106.6 | 170.9 | 177.6 | 0 | 0 | 0 | 0 | 107.7 | D369 T373 | D369-V371 PolarHBondContact O-N 3.1Å; V371-T373 PolarHBondContact O-N 3.26Å | ||
| 372 | E | 71.1 | Confident | 66.2 | Low | 95 Ų | 95 | 85.8 Ų | 85.8 | 44% | 0.444 | 46% | 0.46 | S | S | . | . | trans | -50.9 | 109.1 | 177.8 | -71.2 | -178.7 | -149.3 | 0 | 0 | 110.8 | S370 R374 | S370-E372 PolarHBondContact O-N 3.29Å; E372-R374 PolarHBondContact O-N 2.93Å; E372-R374 VanDerWaalsContact O-N 3.15Å; E372-R374 IonicContact OE1-NH2 3.53Å; E372-R374 IonicContact OE2-CZ 3.11Å; E372-R374 IonicContact OE2-NE 3.1Å; E372-R374 PolarHBondContact OE2-NE 3.33Å; E372-R374 IonicContact OE2-NH2 3.8Å; E372-R374 PolarHBondContact OE2-NH2 3.48Å | ||
| 373 | T | 82.3 | Confident | 68.1 | Low | 72 Ų | 72 | 82.4 Ų | 82.4 | 44% | 0.442 | 45% | 0.447 | S | S | . | . | trans | -75.8 | 107.7 | 180 | -64.7 | 0 | 0 | 0 | 0 | 108.5 | I336 H357 L358 V371 | I336-T373 HydrophobicContact CB-CG2 4.22Å; I336-T373 HydrophobicContact CG2-CG2 3.61Å; H357-T373 VanDerWaalsContact CA-O 3.3Å; H357-T373 WeakPolarHBondContact CA-O 3.27Å; L358-T373 HydrophobicContact CD1-CG2 4.32Å; L358-T373 PolarHBondContact N-O 3.24Å; L358-T373 VanDerWaalsContact N-O 3.07Å; V371-T373 PolarHBondContact O-N 3.26Å | ||
| 374 | R | 88.2 | Confident | 70.4 | Confident | 107 Ų | 107 | 80.3 Ų | 80.3 | 40% | 0.404 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 136.2 | -175.2 | -75.6 | 168.4 | -179.2 | -162.2 | 4.3 | 110.6 | P334 G356 H357 E372 | P334-R374 WeakPolarHBondContact CG-O 3.37Å; G356-R374 VanDerWaalsContact O-CA 3.28Å; G356-R374 WeakPolarHBondContact O-CA 3.21Å; H357-R374 HydrophobicContact CB-CG 3.55Å; E372-R374 PolarHBondContact O-N 2.93Å; E372-R374 VanDerWaalsContact O-N 3.15Å; E372-R374 IonicContact OE1-NH2 3.53Å; E372-R374 IonicContact OE2-CZ 3.11Å; E372-R374 IonicContact OE2-NE 3.1Å; E372-R374 PolarHBondContact OE2-NE 3.33Å; E372-R374 IonicContact OE2-NH2 3.8Å; E372-R374 PolarHBondContact OE2-NH2 3.48Å |
| 375 | G | 90.3 | Very high | 72.8 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.8 | -179.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | P334 Y355 G356 | P334-G375 CarbonylContact O-C 3.25Å; P334-G375 WeakPolarHBondContact O-CA 3.4Å; Y355-G375 WeakPolarHBondContact CA-O 3.49Å; Y355-G375 VanDerWaalsContact CD2-C 3.41Å; Y355-G375 WeakPolarHBondContact CD2-O 3.48Å; G356-G375 PolarHBondContact N-O 2.81Å; G356-G375 PolarHBondContact O-N 2.89Å; G356-G375 VanDerWaalsContact O-N 3.08Å |
| 376 | W | 92.2 | Very high | 74.8 | Confident | 21 Ų | 21 | 73.8 Ų | 73.8 | 8% | 0.08 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 135.7 | 176.6 | -70.8 | 102 | 0 | 0 | 0 | 111.6 | P329 E333 P334 R335 I336 W353 I354 Y355 | P329-W376 HydrophobicContact CB-CD2 4.01Å; P329-W376 HydrophobicContact CB-CG 4.18Å; P329-W376 HydrophobicContact CB-CZ2 4.25Å; P329-W376 HydrophobicContact CG-CB 4.43Å; P329-W376 HydrophobicContact CG-CD2 3.46Å; P329-W376 VanDerWaalsContact CG-CD2 3.46Å; P329-W376 HydrophobicContact CG-CE3 3.7Å; P329-W376 HydrophobicContact CG-CG 3.81Å; P329-W376 HydrophobicContact CG-CH2 4.32Å; P329-W376 HydrophobicContact CG-CZ2 4.15Å; P329-W376 HydrophobicContact CG-CZ3 4.11Å; E333-W376 PolarHBondContact OE2-NE1 2.91Å; P334-W376 PolarHBondContact O-N 3.26Å; R335-W376 WeakPolarHBondContact CA-O 3.44Å; R335-W376 HydrophobicContact CG-CB 4.39Å; I336-W376 PolarHBondContact N-O 3.19Å; W353-W376 HydrophobicContact CB-CE3 3.68Å; W353-W376 HydrophobicContact CB-CZ3 3.88Å; W353-W376 HydrophobicContact CE3-CB 3.88Å; W353-W376 HydrophobicContact CZ3-CB 4.15Å; I354-W376 WeakPolarHBondContact O-CA 3.13Å; Y355-W376 AromaticContact CD2-CD1 3.69Å; Y355-W376 AromaticContact CD2-CD2 3.74Å; Y355-W376 HydrophobicContact CD2-CD2 3.74Å; Y355-W376 AromaticContact CD2-CE2 3.66Å; Y355-W376 HydrophobicContact CD2-CE3 4.42Å; Y355-W376 AromaticContact CD2-CG 3.81Å; Y355-W376 HydrophobicContact CD2-CG 3.81Å; Y355-W376 HydrophobicContact CD2-CZ2 4.29Å; Y355-W376 AromaticContact CD2-NE1 3.55Å; Y355-W376 HydrophobicContact CG-CD2 4.3Å; Y355-W376 HydrophobicContact CG-CZ2 4.44Å |
| 377 | V | 92.9 | Very high | 75.9 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 140.6 | 174.4 | -178.8 | 0 | 0 | 0 | 0 | 108.6 | I306 Y310 I336 V338 L344 W353 I354 R379 C381 | I306-V377 HydrophobicContact CD1-CG1 4.45Å; Y310-V377 HydrophobicContact CD1-CG1 4.32Å; I336-V377 HydrophobicContact CD1-CG2 4.09Å; I336-V377 HydrophobicContact CG1-CG2 3.63Å; V338-V377 HydrophobicContact CG1-CG1 4.5Å; V338-V377 HydrophobicContact CG1-CG2 3.74Å; V338-V377 HydrophobicContact CG2-CG1 3.72Å; V338-V377 HydrophobicContact CG2-CG2 4.38Å; L344-V377 HydrophobicContact CD2-CB 4.28Å; L344-V377 HydrophobicContact CD2-CG2 4.12Å; W353-V377 VanDerWaalsContact CE3-C 3.44Å; I354-V377 HydrophobicContact CG1-CB 4.19Å; I354-V377 WeakPolarHBondContact CG1-O 3.23Å; I354-V377 PolarHBondContact N-O 3.23Å; I354-V377 PolarHBondContact O-N 3.18Å; V377-R379 PolarHBondContact O-N 3.41Å; V377-C381 HydrophobicContact CG1-CB 4.12Å |
| 378 | P | 92.7 | Very high | 76.4 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 129.9 | 171 | -25.5 | 35.5 | 0 | 0 | 0 | 111.2 | Y310 L316 Y320 T324 W353 V380 C381 | Y310-P378 HydrophobicContact CD1-CG 4.39Å; Y310-P378 HydrophobicContact CD2-CG 4.16Å; Y310-P378 HydrophobicContact CE1-CG 4.39Å; Y310-P378 HydrophobicContact CE2-CG 4.2Å; Y310-P378 HydrophobicContact CG-CG 4.27Å; L316-P378 HydrophobicContact CD2-CG 4.27Å; Y320-P378 HydrophobicContact CD1-CB 4.42Å; Y320-P378 HydrophobicContact CD2-CG 4.38Å; Y320-P378 HydrophobicContact CG-CB 4.35Å; Y320-P378 HydrophobicContact CG-CG 4.28Å; T324-P378 HydrophobicContact CG2-CB 3.95Å; T324-P378 HydrophobicContact CG2-CG 4.38Å; W353-P378 HydrophobicContact CE3-CG 4.35Å; W353-P378 HydrophobicContact CH2-CG 4.03Å; W353-P378 HydrophobicContact CZ3-CG 3.89Å; P378-V380 HydrophobicContact CB-CG2 3.93Å; P378-V380 PolarHBondContact O-N 3.12Å; P378-V380 VanDerWaalsContact O-N 3.17Å; P378-C381 WeakPolarHBondContact O-CB 3.41Å; P378-C381 PolarHBondContact O-N 2.88Å |
| 379 | R | 92.1 | Very high | 76.8 | Confident | 70 Ų | 70 | 74 Ų | 74 | 26% | 0.264 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -59.6 | -31.1 | -178.2 | -173.1 | 173.9 | -176.6 | 174.1 | -1.2 | 112.4 | K351 Y352 I354 V377 C381 A382 | K351-R379 WeakPolarHBondContact O-CD 3.09Å; Y352-R379 WeakPolarHBondContact O-CB 3.44Å; Y352-R379 PolarHBondContact O-N 2.91Å; I354-R379 HydrophobicContact CG2-CB 4.06Å; I354-R379 HydrophobicContact CG2-CG 3.9Å; V377-R379 PolarHBondContact O-N 3.41Å; R379-C381 PolarHBondContact O-N 3.2Å; R379-C381 VanDerWaalsContact O-N 3.14Å; R379-A382 PolarHBondContact O-N 3.27Å; R379-A382 VanDerWaalsContact O-N 3.14Å; R379-A382 VanDerWaalsContact O-O 3.05Å |
| 380 | V | 91.7 | Very high | 76.6 | Confident | 75 Ų | 75 | 77.9 Ų | 77.9 | 46% | 0.455 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -62.2 | -16.6 | 176.3 | -62.5 | 0 | 0 | 0 | 0 | 113.7 | Y320 P378 A382 | Y320-V380 HydrophobicContact CD1-CG2 3.82Å; Y320-V380 HydrophobicContact CG-CG2 4.3Å; P378-V380 HydrophobicContact CB-CG2 3.93Å; P378-V380 PolarHBondContact O-N 3.12Å; P378-V380 VanDerWaalsContact O-N 3.17Å; V380-A382 VanDerWaalsContact C-N 3.35Å |
| 381 | C | 91.9 | Very high | 76 | Confident | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -86.6 | -6.2 | 178.4 | -61.7 | 0 | 0 | 0 | 0 | 113.7 | I306 T307 R308 Y320 V377 P378 R379 | I306-C381 CarbonylContact C-O 3.59Å; I306-C381 WeakPolarHBondContact CA-O 3.48Å; T307-C381 PolarHBondContact N-O 3.29Å; T307-C381 PolarHBondContact OG1-O 2.88Å; R308-C381 HydrophobicContact CB-CB 4.21Å; R308-C381 PolarHBondContact N-O 3.23Å; R308-C381 WeakPolarHBondContact O-CB 3.28Å; Y320-C381 VanDerWaalsContact CD1-SG 3.58Å; Y320-C381 WeakPolarHBondContact CE1-SG 3.47Å; V377-C381 HydrophobicContact CG1-CB 4.12Å; P378-C381 WeakPolarHBondContact O-CB 3.41Å; P378-C381 PolarHBondContact O-N 2.88Å; R379-C381 PolarHBondContact O-N 3.2Å; R379-C381 VanDerWaalsContact O-N 3.14Å |
| 382 | A | 93 | Very high | 75.1 | Confident | 7 Ų | 7 | 81 Ų | 81 | 6% | 0.058 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 138.5 | -169.6 | 0 | 0 | 0 | 0 | 0 | 112 | F304 K305 I306 I354 R379 V380 | F304-A382 HydrophobicContact CB-CB 3.98Å; F304-A382 HydrophobicContact CD1-CB 3.86Å; F304-A382 HydrophobicContact CG-CB 4.37Å; K305-A382 WeakPolarHBondContact O-CA 3.35Å; I306-A382 HydrophobicContact CD1-CB 3.68Å; I354-A382 HydrophobicContact CD1-CB 3.44Å; I354-A382 VanDerWaalsContact CD1-CB 3.44Å; R379-A382 PolarHBondContact O-N 3.27Å; R379-A382 VanDerWaalsContact O-N 3.14Å; R379-A382 VanDerWaalsContact O-O 3.05Å; V380-A382 VanDerWaalsContact C-N 3.35Å |
| 383 | L | 92.6 | Very high | 73.4 | Confident | 112 Ų | 112 | 86 Ų | 86 | 59% | 0.586 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 133.2 | 172.3 | -69 | 179.3 | 0 | 0 | 0 | 109.8 | F304 K305 T307 V385 | F304-L383 CarbonylContact C-O 3.49Å; F304-L383 VanDerWaalsContact CA-O 3.27Å; F304-L383 WeakPolarHBondContact CA-O 3.33Å; K305-L383 PolarHBondContact N-O 2.92Å; K305-L383 PolarHBondContact O-N 2.94Å; T307-L383 HydrophobicContact CG2-CB 4.19Å; T307-L383 HydrophobicContact CG2-CD1 3.64Å; T307-L383 HydrophobicContact CG2-CG 3.8Å; L383-V385 PolarHBondContact O-N 2.89Å |
| 384 | E | 91.6 | Very high | 71.6 | Confident | 48 Ų | 48 | 85.5 Ų | 85.5 | 22% | 0.224 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 128.1 | 175.9 | -167.3 | 173.6 | 163.2 | 0 | 0 | 110 | R302 F304 F387 | R302-E384 VanDerWaalsContact CD-OE1 3.26Å; R302-E384 WeakPolarHBondContact CD-OE1 3.09Å; R302-E384 IonicContact CZ-OE1 3.96Å; R302-E384 IonicContact NE-OE1 2.72Å; R302-E384 IonicContact NH1-OE1 3.85Å; R302-E384 PolarHBondContact NH1-OE1 2.85Å; R302-E384 IonicContact NH1-OE2 3.57Å; F304-E384 HydrophobicContact CD1-CB 4.08Å; F304-E384 HydrophobicContact CD2-CB 4.47Å; F304-E384 HydrophobicContact CD2-CG 4.32Å; F304-E384 HydrophobicContact CE1-CB 3.67Å; F304-E384 HydrophobicContact CE1-CG 4.32Å; F304-E384 HydrophobicContact CE2-CB 4.1Å; F304-E384 HydrophobicContact CE2-CG 3.84Å; F304-E384 HydrophobicContact CG-CB 4.46Å; F304-E384 HydrophobicContact CZ-CB 3.68Å; F304-E384 HydrophobicContact CZ-CG 3.82Å; E384-F387 HydrophobicContact CG-CD2 4.37Å; E384-F387 WeakPolarHBondContact OE2-CE2 2.9Å |
| 385 | V | 86.4 | Confident | 69.1 | Low | 87 Ų | 87 | 84.5 Ų | 84.5 | 53% | 0.527 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -90.7 | 122.2 | 178 | -176.1 | 0 | 0 | 0 | 0 | 108.1 | T303 K305 L383 | T303-V385 HydrophobicContact CG2-CB 4.48Å; T303-V385 PolarHBondContact O-N 3.05Å; K305-V385 HydrophobicContact CB-CG2 3.7Å; L383-V385 PolarHBondContact O-N 2.89Å |
| 386 | G | 72.4 | Confident | 67 | Low | 68 Ų | 68 | 85.9 Ų | 85.9 | 70% | 0.701 | 44% | 0.438 | S | S | * | . | trans | 107.8 | 19.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | K388 | G386-K388 PolarHBondContact O-N 3.39Š| ||
| 387 | F | 57.1 | Low | 64.4 | Low | 110 Ų | 110 | 92.6 Ų | 92.6 | 48% | 0.482 | 47% | 0.467 | S | S | . | . | trans | -69.9 | 98.5 | 177.8 | -131.7 | -92.8 | 0 | 0 | 0 | 112 | E384 H389 | E384-F387 HydrophobicContact CG-CD2 4.37Å; E384-F387 WeakPolarHBondContact OE2-CE2 2.9Å; F387-H389 VanDerWaalsContact CE1-O 3.26Å; F387-H389 WeakPolarHBondContact CE1-O 3.29Å | ||
| 388 | K | 45.1 | Very low | 61.5 | Low | 200 Ų | 200 | 99 Ų | 99 | 87% | 0.87 | 50% | 0.502 | S | S | * | . | trans | -104.5 | 3.3 | 175.6 | -91.7 | -167.7 | 178.3 | -176.4 | 0 | 116 | G386 | G386-K388 PolarHBondContact O-N 3.39Š| ||
| 389 | H | 41.9 | Very low | 58.9 | Low | 150 Ų | 150 | 109.3 Ų | 109.3 | 69% | 0.694 | 56% | 0.557 | S | S | * | * | trans | -138.4 | 121.5 | 173.7 | -100 | -81.6 | 0 | 0 | 0 | 113.1 | F387 N391 | F387-H389 VanDerWaalsContact CE1-O 3.26Å; F387-H389 WeakPolarHBondContact CE1-O 3.29Å; H389-N391 PolarHBondContact O-N 3.31Å | ||
| 390 | K | 37.3 | Very low | 57.2 | Low | 207 Ų | 207 | 111.3 Ų | 111.3 | 90% | 0.9 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -3.4 | -179.9 | -97.8 | 179 | 174.6 | 176.9 | 0 | 115.3 | ||
| 391 | N | 34.9 | Very low | 55.4 | Low | 147 Ų | 147 | 113.2 Ų | 113.2 | 79% | 0.786 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | -5.6 | -169.5 | -81.7 | -1.3 | 0 | 0 | 0 | 116.8 | H389 K393 | H389-N391 PolarHBondContact O-N 3.31Å; N391-K393 PolarHBondContact O-N 2.87Å |
| 392 | D | 40.1 | Very low | 53.4 | Low | 125 Ų | 125 | 119.4 Ų | 119.4 | 67% | 0.668 | 61% | 0.609 | S | S | * | * | trans | -95.8 | 92.8 | 168.3 | -84.9 | -22.7 | 0 | 0 | 0 | 109.3 | F394 | D392-F394 VanDerWaalsContact C-N 3.34Å; D392-F394 PolarHBondContact O-N 3.09Å | ||
| 393 | K | 35.8 | Very low | 51 | Low | 201 Ų | 201 | 126.1 Ų | 126.1 | 87% | 0.874 | 64% | 0.642 | S | S | * | * | trans | -52 | 110.4 | 155.7 | -90.7 | -178.9 | -179.4 | 170.9 | 0 | 105.5 | N391 S395 | N391-K393 PolarHBondContact O-N 2.87Å; K393-S395 PolarHBondContact O-N 3.34Å | ||
| 394 | F | 42.7 | Very low | 48.4 | Very low | 60 Ų | 60 | 126.9 Ų | 126.9 | 26% | 0.263 | 65% | 0.645 | S | S | . | * | trans | -62.9 | 84 | 164.9 | -167 | -132.6 | 0 | 0 | 0 | 107 | R302 D392 L396 | R302-F394 VanDerWaalsContact NH1-CD2 3.34Å; R302-F394 VanDerWaalsContact NH2-CE2 3.34Å; D392-F394 VanDerWaalsContact C-N 3.34Å; D392-F394 PolarHBondContact O-N 3.09Å; F394-L396 HydrophobicContact CD1-CD1 3.77Å; F394-L396 HydrophobicContact CD1-CD2 3.94Å; F394-L396 HydrophobicContact CD1-CG 3.44Å; F394-L396 VanDerWaalsContact CD1-CG 3.44Å; F394-L396 HydrophobicContact CE1-CD1 3.64Å; F394-L396 HydrophobicContact CE1-CD2 3.15Å; F394-L396 HydrophobicContact CE1-CG 3.21Å; F394-L396 HydrophobicContact CE2-CD2 4.35Å; F394-L396 HydrophobicContact CG-CG 4.28Å; F394-L396 HydrophobicContact CZ-CD2 3.4Å; F394-L396 HydrophobicContact CZ-CG 3.87Å; F394-L396 PolarHBondContact O-N 2.88Å | ||
| 395 | S | 36.5 | Very low | 45.5 | Very low | 87 Ų | 87 | 132.2 Ų | 132.2 | 61% | 0.608 | 67% | 0.673 | S | S | * | * | trans | -66.8 | 87.6 | 158.1 | 179.6 | 0 | 0 | 0 | 0 | 104.1 | K393 K397 | K393-S395 PolarHBondContact O-N 3.34Å; S395-K397 PolarHBondContact O-N 3.04Å | ||
| 396 | L | 46.9 | Very low | 42.6 | Very low | 28 Ų | 28 | 135.4 Ų | 135.4 | 15% | 0.147 | 68% | 0.684 | C | S | . | * | trans | -57.4 | 86.7 | 150.7 | -79.7 | 163.1 | 0 | 0 | 0 | 105 | G349 F394 N398 | G349-L396 WeakPolarHBondContact O-CB 3.45Å; F394-L396 HydrophobicContact CD1-CD1 3.77Å; F394-L396 HydrophobicContact CD1-CD2 3.94Å; F394-L396 HydrophobicContact CD1-CG 3.44Å; F394-L396 VanDerWaalsContact CD1-CG 3.44Å; F394-L396 HydrophobicContact CE1-CD1 3.64Å; F394-L396 HydrophobicContact CE1-CD2 3.15Å; F394-L396 HydrophobicContact CE1-CG 3.21Å; F394-L396 HydrophobicContact CE2-CD2 4.35Å; F394-L396 HydrophobicContact CG-CG 4.28Å; F394-L396 HydrophobicContact CZ-CD2 3.4Å; F394-L396 HydrophobicContact CZ-CG 3.87Å; F394-L396 PolarHBondContact O-N 2.88Å; L396-N398 PolarHBondContact O-N 2.7Å | ||
| 397 | K | 37.7 | Very low | 40.3 | Very low | 163 Ų | 163 | 140.6 Ų | 140.6 | 71% | 0.709 | 68% | 0.683 | S | S | * | * | trans | -55.2 | 126.8 | 165.9 | -82.8 | -176.6 | 175.1 | 177.3 | 0 | 105.1 | S395 D399 | S395-K397 PolarHBondContact O-N 3.04Å; K397-D399 VanDerWaalsContact C-N 3.33Å; K397-D399 PolarHBondContact O-N 3.01Å | ||
| 398 | N | 31.4 | Very low | 38.9 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 72% | 0.717 | 70% | 0.699 | S | S | * | * | trans | -63 | 103 | 168.9 | -66.2 | -33 | 0 | 0 | 0 | 105.7 | L396 | L396-N398 PolarHBondContact O-N 2.7Š| ||
| 399 | D | 37.2 | Very low | 38.4 | Very low | 216 Ų | 216 | 138 Ų | 138 | 100% | 1.155 | 68% | 0.684 | S | S | * | * | trans | -90.1 | 0 | 163.7 | -76.2 | -8.4 | 0 | 0 | 0 | 109.9 | K397 | K397-D399 VanDerWaalsContact C-N 3.33Å; K397-D399 PolarHBondContact O-N 3.01Å |
Retrieved 399 of 399 residues in 243.8 ms
(Link to these results)