| 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 | 60.8 | Low | 64.6 | Low | 215 Ų | 215 | 109.7 Ų | 109.7 | 100% | 1.059 | 58% | 0.583 | S | S | * | * | 0 | -59.7 | 0 | -62.1 | -71.4 | -152.9 | 0 | 0 | 111.4 | F3 V4 A5 | M1-F3 PolarHBondContact O-N 3.26Å; M1-V4 PolarHBondContact O-N 2.63Å; M1-A5 PolarHBondContact O-N 3.42Å | |||
| 2 | L | 63.7 | Low | 64.3 | Low | 143 Ų | 143 | 109.6 Ų | 109.6 | 75% | 0.749 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -59.8 | -38.1 | -176.7 | -118.3 | 138.2 | 0 | 0 | 0 | 115.1 | V4 A5 L6 | L2-V4 PolarHBondContact O-N 2.83Å; L2-A5 PolarHBondContact O-N 3.3Å; L2-L6 HydrophobicContact CD2-CD1 4.34Å; L2-L6 PolarHBondContact O-N 3.49Å; L2-L6 VanDerWaalsContact O-N 3.15Å |
| 3 | F | 65.7 | Low | 64 | Low | 166 Ų | 166 | 110.2 Ų | 110.2 | 73% | 0.728 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.7 | -35.8 | -178.5 | -136.2 | -94.4 | 0 | 0 | 0 | 113.3 | M1 I7 | M1-F3 PolarHBondContact O-N 3.26Å; F3-I7 HydrophobicContact CD1-CD1 3.91Å; F3-I7 HydrophobicContact CE1-CD1 4.36Å; F3-I7 VanDerWaalsContact O-CG1 3.31Å; F3-I7 WeakPolarHBondContact O-CG1 3.48Å; F3-I7 PolarHBondContact O-N 3.33Å; F3-I7 VanDerWaalsContact O-N 3.12Å |
| 4 | V | 66.9 | Low | 63.6 | Low | 94 Ų | 94 | 106.6 Ų | 106.6 | 57% | 0.57 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -71.8 | -39.8 | 179.2 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | M1 L2 I7 L8 | M1-V4 PolarHBondContact O-N 2.63Å; L2-V4 PolarHBondContact O-N 2.83Å; V4-I7 PolarHBondContact O-N 3.2Å; V4-L8 HydrophobicContact CG1-CD1 4.12Å; V4-L8 WeakPolarHBondContact O-CG 3.42Å; V4-L8 PolarHBondContact O-N 3.32Å |
| 5 | A | 69.2 | Low | 63.1 | Low | 49 Ų | 49 | 108.6 Ų | 108.6 | 41% | 0.405 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.4 | -42.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | M1 L2 L8 I9 | M1-A5 PolarHBondContact O-N 3.42Å; L2-A5 PolarHBondContact O-N 3.3Å; A5-L8 PolarHBondContact O-N 3.42Å; A5-I9 WeakPolarHBondContact O-CD1 3.28Å; A5-I9 WeakPolarHBondContact O-CG1 3.4Å; A5-I9 PolarHBondContact O-N 2.77Å |
| 6 | L | 65.3 | Low | 62.9 | Low | 92 Ų | 92 | 107.5 Ų | 107.5 | 48% | 0.482 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.8 | -44.7 | 175.1 | -102 | 151 | 0 | 0 | 0 | 112.4 | L2 I9 I10 | L2-L6 HydrophobicContact CD2-CD1 4.34Å; L2-L6 PolarHBondContact O-N 3.49Å; L2-L6 VanDerWaalsContact O-N 3.15Å; L6-I9 PolarHBondContact O-N 3.47Å; L6-I10 HydrophobicContact CD2-CD1 4.41Å; L6-I10 WeakPolarHBondContact O-CD1 3.39Å; L6-I10 VanDerWaalsContact O-CG1 3.22Å; L6-I10 WeakPolarHBondContact O-CG1 3.48Å; L6-I10 PolarHBondContact O-N 2.78Å |
| 7 | I | 67.1 | Low | 62.6 | Low | 89 Ų | 89 | 106.4 Ų | 106.4 | 46% | 0.456 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.9 | -45.4 | 176.1 | -67.3 | 166.4 | 0 | 0 | 0 | 110.4 | F3 V4 I9 I10 S11 | F3-I7 HydrophobicContact CD1-CD1 3.91Å; F3-I7 HydrophobicContact CE1-CD1 4.36Å; F3-I7 VanDerWaalsContact O-CG1 3.31Å; F3-I7 WeakPolarHBondContact O-CG1 3.48Å; F3-I7 PolarHBondContact O-N 3.33Å; F3-I7 VanDerWaalsContact O-N 3.12Å; V4-I7 PolarHBondContact O-N 3.2Å; I7-I9 PolarHBondContact O-N 3.4Å; I7-I10 PolarHBondContact O-N 3.49Å; I7-S11 WeakPolarHBondContact O-CB 3.44Å; I7-S11 PolarHBondContact O-N 3.39Å; I7-S11 PolarHBondContact O-OG 2.96Å |
| 8 | L | 62.2 | Low | 62.4 | Low | 105 Ų | 105 | 106.1 Ų | 106.1 | 55% | 0.55 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60.6 | -43.1 | 177.6 | -74.2 | 169.6 | 0 | 0 | 0 | 112.3 | V4 A5 S11 L12 | V4-L8 HydrophobicContact CG1-CD1 4.12Å; V4-L8 WeakPolarHBondContact O-CG 3.42Å; V4-L8 PolarHBondContact O-N 3.32Å; A5-L8 PolarHBondContact O-N 3.42Å; L8-S11 PolarHBondContact O-N 3.23Å; L8-L12 WeakPolarHBondContact O-CB 3.29Å; L8-L12 WeakPolarHBondContact O-CD1 3.26Å; L8-L12 VanDerWaalsContact O-CG 3.24Å; L8-L12 WeakPolarHBondContact O-CG 3.49Å; L8-L12 PolarHBondContact O-N 3.46Å |
| 9 | I | 64.5 | Low | 62.1 | Low | 89 Ų | 89 | 105.9 Ų | 105.9 | 46% | 0.456 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.2 | -48 | 176.5 | -67.9 | 165.6 | 0 | 0 | 0 | 110.2 | A5 L6 I7 S11 L12 H13 | A5-I9 WeakPolarHBondContact O-CD1 3.28Å; A5-I9 WeakPolarHBondContact O-CG1 3.4Å; A5-I9 PolarHBondContact O-N 2.77Å; L6-I9 PolarHBondContact O-N 3.47Å; I7-I9 PolarHBondContact O-N 3.4Å; I9-S11 VanDerWaalsContact C-N 3.32Å; I9-S11 PolarHBondContact O-N 2.74Å; I9-L12 PolarHBondContact O-N 3.08Å; I9-H13 VanDerWaalsContact CG2-CE1 3.48Å; I9-H13 WeakPolarHBondContact CG2-CE1 3.33Å; I9-H13 PolarHBondContact O-N 2.98Å; I9-H13 PolarHBondContact O-ND1 3.22Å |
| 10 | I | 62.4 | Low | 62.3 | Low | 105 Ų | 105 | 103 Ų | 103 | 54% | 0.538 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63 | -40.1 | 178.4 | -65.5 | 163.2 | 0 | 0 | 0 | 111 | L6 I7 H13 S14 | L6-I10 HydrophobicContact CD2-CD1 4.41Å; L6-I10 WeakPolarHBondContact O-CD1 3.39Å; L6-I10 VanDerWaalsContact O-CG1 3.22Å; L6-I10 WeakPolarHBondContact O-CG1 3.48Å; L6-I10 PolarHBondContact O-N 2.78Å; I7-I10 PolarHBondContact O-N 3.49Å; I10-H13 PolarHBondContact O-N 2.88Å; I10-S14 WeakPolarHBondContact O-CB 3.48Å; I10-S14 PolarHBondContact O-N 3.15Å; I10-S14 PolarHBondContact O-OG 2.98Å |
| 11 | S | 62.7 | Low | 62.6 | Low | 60 Ų | 60 | 100.1 Ų | 100.1 | 42% | 0.42 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.1 | -38.4 | 176.2 | -65.6 | 0 | 0 | 0 | 0 | 112.4 | I7 L8 I9 S14 F15 | I7-S11 WeakPolarHBondContact O-CB 3.44Å; I7-S11 PolarHBondContact O-N 3.39Å; I7-S11 PolarHBondContact O-OG 2.96Å; L8-S11 PolarHBondContact O-N 3.23Å; I9-S11 VanDerWaalsContact C-N 3.32Å; I9-S11 PolarHBondContact O-N 2.74Å; S11-S14 WeakPolarHBondContact CA-OG 3.42Å; S11-S14 PolarHBondContact O-OG 3.38Å; S11-S14 VanDerWaalsContact O-OG 3.07Å; S11-F15 VanDerWaalsContact O-CB 3.31Å; S11-F15 WeakPolarHBondContact O-CB 3.29Å; S11-F15 PolarHBondContact O-N 3.11Å |
| 12 | L | 61.7 | Low | 63 | Low | 108 Ų | 108 | 97.8 Ų | 97.8 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.4 | -51.3 | 175.2 | -73.2 | 162.7 | 0 | 0 | 0 | 111 | L8 I9 S14 F15 D16 | L8-L12 WeakPolarHBondContact O-CB 3.29Å; L8-L12 WeakPolarHBondContact O-CD1 3.26Å; L8-L12 VanDerWaalsContact O-CG 3.24Å; L8-L12 WeakPolarHBondContact O-CG 3.49Å; L8-L12 PolarHBondContact O-N 3.46Å; I9-L12 PolarHBondContact O-N 3.08Å; L12-S14 VanDerWaalsContact C-N 3.32Å; L12-S14 PolarHBondContact O-N 2.8Å; L12-F15 WeakPolarHBondContact O-CB 3.19Å; L12-F15 PolarHBondContact O-N 3.31Å; L12-D16 PolarHBondContact O-N 3.08Å; L12-D16 VanDerWaalsContact O-OD2 3.11Å |
| 13 | H | 59.5 | Low | 63.7 | Low | 118 Ų | 118 | 95.7 Ų | 95.7 | 55% | 0.546 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.8 | -38.5 | -178.9 | -70.1 | 68.4 | 0 | 0 | 0 | 112.3 | I9 I10 D16 C17 | I9-H13 VanDerWaalsContact CG2-CE1 3.48Å; I9-H13 WeakPolarHBondContact CG2-CE1 3.33Å; I9-H13 PolarHBondContact O-N 2.98Å; I9-H13 PolarHBondContact O-ND1 3.22Å; I10-H13 PolarHBondContact O-N 2.88Å; H13-D16 PolarHBondContact O-N 3.3Å; H13-C17 PolarHBondContact O-N 3.33Å; H13-C17 PolarHBondContact O-SG 3.41Å |
| 14 | S | 58.7 | Low | 64.5 | Low | 59 Ų | 59 | 88.4 Ų | 88.4 | 41% | 0.413 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.6 | -35.4 | 175.5 | 50.3 | 0 | 0 | 0 | 0 | 112.3 | I10 S11 L12 V18 | I10-S14 WeakPolarHBondContact O-CB 3.48Å; I10-S14 PolarHBondContact O-N 3.15Å; I10-S14 PolarHBondContact O-OG 2.98Å; S11-S14 WeakPolarHBondContact CA-OG 3.42Å; S11-S14 PolarHBondContact O-OG 3.38Å; S11-S14 VanDerWaalsContact O-OG 3.07Å; L12-S14 VanDerWaalsContact C-N 3.32Å; L12-S14 PolarHBondContact O-N 2.8Å; S14-V18 WeakPolarHBondContact O-CB 3.45Å; S14-V18 WeakPolarHBondContact O-CG2 3.39Å; S14-V18 PolarHBondContact O-N 2.92Å; S14-V18 VanDerWaalsContact O-N 3.09Å |
| 15 | F | 56.5 | Low | 65.3 | Low | 137 Ų | 137 | 87.3 Ų | 87.3 | 60% | 0.601 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -66.2 | -45 | 173.9 | -169.2 | -94.6 | 0 | 0 | 0 | 111.6 | S11 L12 C17 V18 F19 | S11-F15 VanDerWaalsContact O-CB 3.31Å; S11-F15 WeakPolarHBondContact O-CB 3.29Å; S11-F15 PolarHBondContact O-N 3.11Å; L12-F15 WeakPolarHBondContact O-CB 3.19Å; L12-F15 PolarHBondContact O-N 3.31Å; F15-C17 PolarHBondContact O-N 3.15Å; F15-V18 PolarHBondContact O-N 3.36Å; F15-F19 VanDerWaalsContact O-CB 3.29Å; F15-F19 WeakPolarHBondContact O-CB 3.43Å; F15-F19 PolarHBondContact O-N 2.99Å |
| 16 | D | 58.9 | Low | 66.1 | Low | 91 Ų | 91 | 90.6 Ų | 90.6 | 49% | 0.487 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 178.6 | -67.1 | -40.7 | 0 | 0 | 0 | 111.5 | L12 H13 F19 T20 | L12-D16 PolarHBondContact O-N 3.08Å; L12-D16 VanDerWaalsContact O-OD2 3.11Å; H13-D16 PolarHBondContact O-N 3.3Å; D16-F19 PolarHBondContact O-N 3.35Å; D16-T20 VanDerWaalsContact O-CB 3.27Å; D16-T20 WeakPolarHBondContact O-CB 3.49Å; D16-T20 PolarHBondContact O-N 3.13Å; D16-T20 PolarHBondContact O-OG1 3.02Å |
| 17 | C | 58.6 | Low | 67.1 | Low | 89 Ų | 89 | 89.6 Ų | 89.6 | 60% | 0.601 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63 | -43.7 | 176.2 | -70.4 | 0 | 0 | 0 | 0 | 112.5 | H13 F15 A21 | H13-C17 PolarHBondContact O-N 3.33Å; H13-C17 PolarHBondContact O-SG 3.41Å; F15-C17 PolarHBondContact O-N 3.15Å; C17-A21 WeakPolarHBondContact O-CB 3.12Å; C17-A21 PolarHBondContact O-N 3.19Å |
| 18 | V | 59.1 | Low | 68.2 | Low | 100 Ų | 100 | 85.4 Ų | 85.4 | 61% | 0.606 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -67.8 | -40.1 | 179.8 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | S14 F15 R22 | S14-V18 WeakPolarHBondContact O-CB 3.45Å; S14-V18 WeakPolarHBondContact O-CG2 3.39Å; S14-V18 PolarHBondContact O-N 2.92Å; S14-V18 VanDerWaalsContact O-N 3.09Å; F15-V18 PolarHBondContact O-N 3.36Å; V18-R22 WeakPolarHBondContact O-CB 3.04Å; V18-R22 PolarHBondContact O-N 2.85Å |
| 19 | F | 56.1 | Low | 69.5 | Low | 103 Ų | 103 | 83 Ų | 83 | 45% | 0.452 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.6 | -48.8 | 177.5 | -169.5 | -97.9 | 0 | 0 | 0 | 110.9 | F15 D16 A21 R22 E23 | F15-F19 VanDerWaalsContact O-CB 3.29Å; F15-F19 WeakPolarHBondContact O-CB 3.43Å; F15-F19 PolarHBondContact O-N 2.99Å; D16-F19 PolarHBondContact O-N 3.35Å; F19-A21 PolarHBondContact O-N 3.38Å; F19-R22 PolarHBondContact O-N 3.21Å; F19-R22 VanDerWaalsContact O-N 3.14Å; F19-E23 HydrophobicContact CD1-CG 4.27Å; F19-E23 HydrophobicContact CE1-CG 3.98Å; F19-E23 WeakPolarHBondContact CE1-OE1 3Å; F19-E23 WeakPolarHBondContact CE1-OE2 3.5Å; F19-E23 HydrophobicContact CZ-CG 4.32Å; F19-E23 WeakPolarHBondContact CZ-OE1 3.03Å; F19-E23 PolarHBondContact O-N 2.93Å |
| 20 | T | 66.7 | Low | 70.7 | Confident | 48 Ų | 48 | 86.2 Ų | 86.2 | 29% | 0.294 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 177.3 | -56.4 | 0 | 0 | 0 | 0 | 112.3 | D16 R22 E23 T24 M142 | D16-T20 VanDerWaalsContact O-CB 3.27Å; D16-T20 WeakPolarHBondContact O-CB 3.49Å; D16-T20 PolarHBondContact O-N 3.13Å; D16-T20 PolarHBondContact O-OG1 3.02Å; T20-R22 VanDerWaalsContact C-N 3.31Å; T20-R22 PolarHBondContact O-N 3.18Å; T20-E23 PolarHBondContact O-N 3.3Å; T20-T24 WeakPolarHBondContact O-CB 3.41Å; T20-T24 PolarHBondContact O-N 3.16Å; T20-T24 PolarHBondContact O-OG1 3.42Å; T20-M142 HydrophobicContact CG2-CG 4.42Å; T20-M142 HydrophobicContact CG2-SD 3.22Å; T20-M142 WeakPolarHBondContact CG2-SD 3.36Å |
| 21 | A | 67.4 | Low | 71.9 | Confident | 43 Ų | 43 | 81.9 Ų | 81.9 | 36% | 0.355 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | C17 F19 Q25 | C17-A21 WeakPolarHBondContact O-CB 3.12Å; C17-A21 PolarHBondContact O-N 3.19Å; F19-A21 PolarHBondContact O-N 3.38Å; A21-Q25 WeakPolarHBondContact O-CB 3.35Å; A21-Q25 PolarHBondContact O-N 2.94Å |
| 22 | R | 71.2 | Confident | 73.2 | Confident | 166 Ų | 166 | 79 Ų | 79 | 63% | 0.626 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -70.3 | -42.3 | 178.7 | -172 | 177.1 | -177.7 | 171.5 | 1.5 | 112.4 | V18 F19 T20 Q25 Q26 | V18-R22 WeakPolarHBondContact O-CB 3.04Å; V18-R22 PolarHBondContact O-N 2.85Å; F19-R22 PolarHBondContact O-N 3.21Å; F19-R22 VanDerWaalsContact O-N 3.14Å; T20-R22 VanDerWaalsContact C-N 3.31Å; T20-R22 PolarHBondContact O-N 3.18Å; R22-Q25 PolarHBondContact O-N 3.09Å; R22-Q26 WeakPolarHBondContact O-CG 3.33Å; R22-Q26 PolarHBondContact O-N 2.81Å |
| 23 | E | 77.6 | Confident | 74.3 | Confident | 98 Ų | 98 | 75 Ų | 75 | 46% | 0.458 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62 | -46.2 | 173.9 | -71.3 | -170.6 | 143.3 | 0 | 0 | 110.8 | F19 T20 Q25 Q26 E27 | F19-E23 HydrophobicContact CD1-CG 4.27Å; F19-E23 HydrophobicContact CE1-CG 3.98Å; F19-E23 WeakPolarHBondContact CE1-OE1 3Å; F19-E23 WeakPolarHBondContact CE1-OE2 3.5Å; F19-E23 HydrophobicContact CZ-CG 4.32Å; F19-E23 WeakPolarHBondContact CZ-OE1 3.03Å; F19-E23 PolarHBondContact O-N 2.93Å; T20-E23 PolarHBondContact O-N 3.3Å; E23-Q25 VanDerWaalsContact C-N 3.29Å; E23-Q25 PolarHBondContact O-N 2.92Å; E23-Q26 PolarHBondContact O-N 3.29Å; E23-Q26 VanDerWaalsContact O-N 3.13Å; E23-E27 WeakPolarHBondContact O-CB 3.41Å; E23-E27 PolarHBondContact O-N 3.36Å |
| 24 | T | 81.5 | Confident | 75.2 | Confident | 14 Ų | 14 | 72.4 Ų | 72.4 | 9% | 0.086 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -55.7 | -44.3 | 175.7 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | T20 C28 L118 C119 N122 | T20-T24 WeakPolarHBondContact O-CB 3.41Å; T20-T24 PolarHBondContact O-N 3.16Å; T20-T24 PolarHBondContact O-OG1 3.42Å; T24-C28 VanDerWaalsContact O-CB 3.31Å; T24-C28 WeakPolarHBondContact O-CB 3.47Å; T24-C28 PolarHBondContact O-N 3.34Å; T24-L118 HydrophobicContact CG2-CB 3.84Å; T24-C119 HydrophobicContact CG2-CB 4.28Å; T24-N122 PolarHBondContact O-ND2 2.73Å |
| 25 | Q | 84.5 | Confident | 75.8 | Confident | 70 Ų | 70 | 74.9 Ų | 74.9 | 33% | 0.327 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 177.2 | 171.5 | 172.1 | 14.4 | 0 | 0 | 112.3 | A21 R22 E23 E27 C28 V29 C47 | A21-Q25 WeakPolarHBondContact O-CB 3.35Å; A21-Q25 PolarHBondContact O-N 2.94Å; R22-Q25 PolarHBondContact O-N 3.09Å; E23-Q25 VanDerWaalsContact C-N 3.29Å; E23-Q25 PolarHBondContact O-N 2.92Å; Q25-E27 VanDerWaalsContact C-N 3.34Å; Q25-C28 WeakPolarHBondContact O-CB 3.44Å; Q25-C28 PolarHBondContact O-N 2.94Å; Q25-V29 WeakPolarHBondContact O-CG2 3.49Å; Q25-V29 PolarHBondContact O-N 2.04Å; Q25-C47 HydrophobicContact CG-CB 4.29Å; Q25-C47 WeakPolarHBondContact CG-O 3.04Å |
| 26 | Q | 85.7 | Confident | 76.5 | Confident | 119 Ų | 119 | 69.3 Ų | 69.3 | 56% | 0.556 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63.9 | -42.2 | -179.8 | -74.9 | -179.1 | -12.8 | 0 | 0 | 111.8 | R22 E23 V29 R30 | R22-Q26 WeakPolarHBondContact O-CG 3.33Å; R22-Q26 PolarHBondContact O-N 2.81Å; E23-Q26 PolarHBondContact O-N 3.29Å; E23-Q26 VanDerWaalsContact O-N 3.13Å; Q26-V29 PolarHBondContact O-N 2.81Å; Q26-R30 PolarHBondContact O-N 2.88Å |
| 27 | E | 87.6 | Confident | 77.7 | Confident | 71 Ų | 71 | 71.7 Ų | 71.7 | 33% | 0.332 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 175.6 | -176.5 | 161.3 | -137.6 | 0 | 0 | 111.4 | E23 Q25 V29 R30 H31 N122 | E23-E27 WeakPolarHBondContact O-CB 3.41Å; E23-E27 PolarHBondContact O-N 3.36Å; Q25-E27 VanDerWaalsContact C-N 3.34Å; E27-V29 PolarHBondContact O-N 3.06Å; E27-R30 WeakPolarHBondContact O-CB 3.38Å; E27-R30 PolarHBondContact O-N 3.01Å; E27-R30 VanDerWaalsContact O-N 3.16Å; E27-R30 IonicContact OE1-NH2 3.42Å; E27-R30 PolarHBondContact OE1-NH2 3.45Å; E27-H31 VanDerWaalsContact CG-CD2 3.44Å; E27-H31 WeakPolarHBondContact CG-CD2 3.49Å; E27-H31 WeakPolarHBondContact CG-NE2 3.48Å; E27-H31 PolarHBondContact O-CD2 3Å; E27-H31 PolarHBondContact O-N 3.35Å; E27-H31 IonicContact OE1-NE2 2.74Å; E27-N122 HydrophobicContact CG-CB 4.12Å |
| 28 | C | 89.2 | Confident | 79.2 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.4 | -46.2 | 173.3 | 173.9 | 0 | 0 | 0 | 0 | 111.8 | T24 Q25 R30 H31 C32 C47 Y121 N122 | T24-C28 VanDerWaalsContact O-CB 3.31Å; T24-C28 WeakPolarHBondContact O-CB 3.47Å; T24-C28 PolarHBondContact O-N 3.34Å; Q25-C28 WeakPolarHBondContact O-CB 3.44Å; Q25-C28 PolarHBondContact O-N 2.94Å; C28-R30 VanDerWaalsContact C-N 3.27Å; C28-R30 PolarHBondContact O-N 2.89Å; C28-H31 PolarHBondContact O-N 2.95Å; C28-C32 WeakPolarHBondContact O-CB 3.27Å; C28-C32 PolarHBondContact O-N 3.31Å; C28-C47 HydrophobicContact CB-CB 3.66Å; C28-C47 WeakPolarHBondContact CB-SG 3.44Å; C28-C47 PolarHBondContact O-SG 3.41Å; C28-C47 WeakPolarHBondContact SG-CB 3.4Å; C28-C47 CovalentContact SG-SG 2.04Å; C28-C47 PolarHBondContact SG-SG 3.21Å; C28-Y121 HydrophobicContact CB-CD1 4.33Å; C28-Y121 HydrophobicContact CB-CE1 4.49Å; C28-N122 WeakPolarHBondContact CA-OD1 3.36Å; C28-N122 WeakPolarHBondContact CB-OD1 3.33Å; C28-N122 PolarHBondContact N-OD1 3.48Å; C28-N122 VanDerWaalsContact N-OD1 3.09Å |
| 29 | V | 90.2 | Very high | 80.7 | Confident | 55 Ų | 55 | 64.4 Ų | 64.4 | 33% | 0.333 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 178.7 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | Q25 Q26 E27 G33 C43 C47 | Q25-V29 WeakPolarHBondContact O-CG2 3.49Å; Q25-V29 PolarHBondContact O-N 2.04Å; Q26-V29 PolarHBondContact O-N 2.81Å; E27-V29 PolarHBondContact O-N 3.06Å; V29-G33 PolarHBondContact O-N 3.36Å; V29-C43 HydrophobicContact CG1-CB 4.34Å; V29-C47 HydrophobicContact CG2-CB 3.68Å; V29-C47 PolarHBondContact N-SG 3.05Å |
| 30 | R | 88.6 | Confident | 82.3 | Confident | 157 Ų | 157 | 62.8 Ų | 62.8 | 59% | 0.592 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.7 | -48 | 177.1 | -173 | -174.1 | 68.3 | 136.4 | -3.4 | 111.8 | Q26 E27 C28 G34 | Q26-R30 PolarHBondContact O-N 2.88Å; E27-R30 WeakPolarHBondContact O-CB 3.38Å; E27-R30 PolarHBondContact O-N 3.01Å; E27-R30 VanDerWaalsContact O-N 3.16Å; E27-R30 IonicContact OE1-NH2 3.42Å; E27-R30 PolarHBondContact OE1-NH2 3.45Å; C28-R30 VanDerWaalsContact C-N 3.27Å; C28-R30 PolarHBondContact O-N 2.89Å; R30-G34 PolarHBondContact O-N 3.08Å |
| 31 | H | 88.6 | Confident | 83.4 | Confident | 14 Ų | 14 | 67.7 Ų | 67.7 | 7% | 0.065 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.3 | -44.9 | 178.5 | -72.7 | -61.7 | 0 | 0 | 0 | 112.2 | E27 C28 G33 G34 H35 Y121 Q125 | E27-H31 VanDerWaalsContact CG-CD2 3.44Å; E27-H31 WeakPolarHBondContact CG-CD2 3.49Å; E27-H31 WeakPolarHBondContact CG-NE2 3.48Å; E27-H31 PolarHBondContact O-CD2 3Å; E27-H31 PolarHBondContact O-N 3.35Å; E27-H31 IonicContact OE1-NE2 2.74Å; C28-H31 PolarHBondContact O-N 2.95Å; H31-G33 VanDerWaalsContact C-N 3.33Å; H31-G33 PolarHBondContact O-N 3.13Å; H31-G34 PolarHBondContact O-N 3.29Å; H31-H35 PolarHBondContact O-CD2 2.84Å; H31-H35 VanDerWaalsContact O-CD2 3.3Å; H31-H35 PolarHBondContact O-N 3.16Å; H31-Y121 HydrophobicContact CB-CE1 3.88Å; H31-Q125 HydrophobicContact CB-CB 3.68Å; H31-Q125 HydrophobicContact CB-CG 4.09Å; H31-Q125 PolarHBondContact ND1-O 3.4Å |
| 32 | C | 89.1 | Confident | 84.6 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.7 | -43.9 | 179 | 174.6 | 0 | 0 | 0 | 0 | 111.9 | C28 V39 C43 Y121 | C28-C32 WeakPolarHBondContact O-CB 3.27Å; C28-C32 PolarHBondContact O-N 3.31Å; C32-V39 WeakPolarHBondContact O-CG1 3.28Å; C32-C43 HydrophobicContact CB-CB 3.66Å; C32-C43 WeakPolarHBondContact CB-SG 3.38Å; C32-C43 WeakPolarHBondContact SG-CA 3.49Å; C32-C43 WeakPolarHBondContact SG-CB 3.02Å; C32-C43 CovalentContact SG-SG 2.04Å; C32-C43 PolarHBondContact SG-SG 2.82Å; C32-Y121 WeakPolarHBondContact CA-OH 3.47Å; C32-Y121 HydrophobicContact CB-CE1 4.44Å; C32-Y121 PolarHBondContact N-OH 3.35Å; C32-Y121 VanDerWaalsContact N-OH 3.15Å |
| 33 | G | 86.3 | Confident | 85.5 | Confident | 24 Ų | 24 | 60.7 Ų | 60.7 | 25% | 0.247 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -76.3 | -30.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V29 H31 H35 T40 C43 | V29-G33 PolarHBondContact O-N 3.36Å; H31-G33 VanDerWaalsContact C-N 3.33Å; H31-G33 PolarHBondContact O-N 3.13Å; G33-H35 PolarHBondContact O-N 3.21Å; G33-T40 WeakPolarHBondContact CA-OG1 3.18Å; G33-T40 PolarHBondContact O-OG1 3.37Å; G33-C43 PolarHBondContact N-SG 3.01Å; G33-C43 VanDerWaalsContact N-SG 3.41Å |
| 34 | G | 78.5 | Confident | 86 | Confident | 62 Ų | 62 | 58 Ų | 58 | 64% | 0.639 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -71.8 | -27.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | R30 H31 | R30-G34 PolarHBondContact O-N 3.08Å; H31-G34 PolarHBondContact O-N 3.29Å |
| 35 | H | 69.6 | Low | 86.2 | Confident | 112 Ų | 112 | 59.2 Ų | 59.2 | 52% | 0.519 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -104.4 | -9.6 | -174.3 | -69 | -74.1 | 0 | 0 | 0 | 114.3 | H31 G33 Q125 | H31-H35 PolarHBondContact O-CD2 2.84Å; H31-H35 VanDerWaalsContact O-CD2 3.3Å; H31-H35 PolarHBondContact O-N 3.16Å; G33-H35 PolarHBondContact O-N 3.21Å; H35-Q125 PolarHBondContact CD2-OE1 3.45Å |
| 36 | N | 71.7 | Confident | 86.5 | Confident | 20 Ų | 20 | 56.2 Ų | 56.2 | 11% | 0.107 | 30% | 0.3 | C | S | . | . | trans | -150.8 | 98.6 | -166.2 | -80.3 | -63.8 | 0 | 0 | 0 | 111.8 | Y38 V39 T40 S63 | N36-Y38 VanDerWaalsContact C-N 3.31Å; N36-Y38 PolarHBondContact O-N 3.24Å; N36-V39 HydrophobicContact CB-CB 4.27Å; N36-V39 HydrophobicContact CB-CG1 3.36Å; N36-V39 PolarHBondContact O-N 3.09Å; N36-T40 PolarHBondContact O-N 3.34Å; N36-T40 PolarHBondContact O-OG1 2.9Å; N36-S63 VanDerWaalsContact CB-OG 3.26Å; N36-S63 WeakPolarHBondContact CB-OG 3.43Å; N36-S63 PolarHBondContact OD1-OG 2.94Å; N36-S63 VanDerWaalsContact OD1-OG 3.08Å | ||
| 37 | E | 83.2 | Confident | 86.6 | Confident | 140 Ų | 140 | 50.6 Ų | 50.6 | 65% | 0.654 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -37.3 | -176.3 | 63 | 179.1 | -177.9 | 0 | 0 | 112.9 | T40 | E37-T40 PolarHBondContact O-OG1 2.9Š|
| 38 | Y | 90.2 | Very high | 86.5 | Confident | 37 Ų | 37 | 49.4 Ų | 49.4 | 15% | 0.145 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -31.6 | -175.4 | -49.3 | -53.1 | 0 | 0 | 0 | 113.5 | N36 A66 N68 Q69 F72 | N36-Y38 VanDerWaalsContact C-N 3.31Å; N36-Y38 PolarHBondContact O-N 3.24Å; Y38-A66 HydrophobicContact CD2-CB 3.77Å; Y38-A66 HydrophobicContact CE2-CB 3.94Å; Y38-A66 WeakPolarHBondContact CE2-O 3.24Å; Y38-N68 WeakPolarHBondContact OH-CA 3.45Å; Y38-Q69 HydrophobicContact CD1-CB 4.2Å; Y38-Q69 HydrophobicContact CE1-CB 4.38Å; Y38-F72 HydrophobicContact CD2-CB 4.39Å; Y38-F72 HydrophobicContact CG-CB 4.14Å; Y38-F72 HydrophobicContact CG-CG 4.37Å; Y38-F72 WeakPolarHBondContact O-CE1 3.17Å |
| 39 | V | 90.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -15.5 | -178.9 | 83.7 | 0 | 0 | 0 | 0 | 113 | C32 N36 R41 Y42 C43 L46 Y59 L60 F72 | C32-V39 WeakPolarHBondContact O-CG1 3.28Å; N36-V39 HydrophobicContact CB-CB 4.27Å; N36-V39 HydrophobicContact CB-CG1 3.36Å; N36-V39 PolarHBondContact O-N 3.09Å; V39-R41 PolarHBondContact O-N 3.4Å; V39-Y42 WeakPolarHBondContact O-CA 3.04Å; V39-Y42 WeakPolarHBondContact O-CB 3.29Å; V39-Y42 PolarHBondContact O-N 3.11Å; V39-C43 PolarHBondContact O-N 3.38Å; V39-L46 HydrophobicContact CG2-CD1 3.65Å; V39-Y59 HydrophobicContact CG2-CD1 4.15Å; V39-L60 HydrophobicContact CG1-CD2 4.12Å; V39-L60 HydrophobicContact CG2-CD2 4.44Å; V39-F72 HydrophobicContact CB-CE2 4.41Å; V39-F72 HydrophobicContact CB-CZ 4.3Å; V39-F72 HydrophobicContact CG2-CZ 4.28Å |
| 40 | T | 90.3 | Very high | 85.4 | Confident | 68 Ų | 68 | 52 Ų | 52 | 42% | 0.417 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -49.4 | -42.3 | -171.1 | -67.3 | 0 | 0 | 0 | 0 | 113.1 | G33 N36 E37 Y42 C43 | G33-T40 WeakPolarHBondContact CA-OG1 3.18Å; G33-T40 PolarHBondContact O-OG1 3.37Å; N36-T40 PolarHBondContact O-N 3.34Å; N36-T40 PolarHBondContact O-OG1 2.9Å; E37-T40 PolarHBondContact O-OG1 2.9Å; T40-Y42 PolarHBondContact O-N 3.08Å; T40-Y42 VanDerWaalsContact O-N 3.16Å; T40-C43 PolarHBondContact O-N 3.44Å |
| 41 | R | 90.5 | Very high | 85.2 | Confident | 152 Ų | 152 | 46.2 Ų | 46.2 | 57% | 0.574 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -65.5 | -16.9 | 179.9 | 73.4 | -178.2 | -174 | -154.2 | -11.3 | 114.4 | V39 D73 | V39-R41 PolarHBondContact O-N 3.4Å; R41-D73 IonicContact NH2-OD1 3.1Å; R41-D73 PolarHBondContact NH2-OD1 2.86Å |
| 42 | Y | 90.9 | Very high | 85.1 | Confident | 60 Ų | 60 | 45.8 Ų | 45.8 | 24% | 0.235 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -100.6 | -18.6 | -179.2 | -60.5 | -81.8 | 0 | 0 | 0 | 113.2 | V39 T40 G44 G45 L46 Y59 F72 L76 | V39-Y42 WeakPolarHBondContact O-CA 3.04Å; V39-Y42 WeakPolarHBondContact O-CB 3.29Å; V39-Y42 PolarHBondContact O-N 3.11Å; T40-Y42 PolarHBondContact O-N 3.08Å; T40-Y42 VanDerWaalsContact O-N 3.16Å; Y42-G44 PolarHBondContact O-N 3.22Å; Y42-G44 VanDerWaalsContact O-N 3.08Å; Y42-G45 PolarHBondContact O-N 3.06Å; Y42-L46 WeakPolarHBondContact O-CG 3.41Å; Y42-L46 PolarHBondContact O-N 2.65Å; Y42-Y59 HydrophobicContact CD1-CD1 4.37Å; Y42-Y59 AromaticContact CD1-CE1 3.56Å; Y42-Y59 HydrophobicContact CD1-CE1 3.56Å; Y42-Y59 HydrophobicContact CD2-CD1 4.17Å; Y42-Y59 AromaticContact CD2-CE1 3.97Å; Y42-Y59 HydrophobicContact CD2-CE1 3.97Å; Y42-Y59 AromaticContact CE1-CE1 3.9Å; Y42-Y59 HydrophobicContact CE1-CE1 3.9Å; Y42-Y59 HydrophobicContact CE2-CE1 4.3Å; Y42-Y59 AromaticContact CG-CD1 3.94Å; Y42-Y59 HydrophobicContact CG-CD1 3.94Å; Y42-Y59 AromaticContact CG-CE1 3.57Å; Y42-Y59 HydrophobicContact CG-CE1 3.57Å; Y42-F72 HydrophobicContact CD2-CE1 4.17Å; Y42-F72 HydrophobicContact CD2-CZ 4.15Å; Y42-F72 AromaticContact CE2-CE1 3.66Å; Y42-F72 HydrophobicContact CE2-CE1 3.66Å; Y42-F72 HydrophobicContact CE2-CZ 4.09Å; Y42-L76 HydrophobicContact CE2-CD1 4.2Å; Y42-L76 VanDerWaalsContact OH-CD1 3.26Å; Y42-L76 WeakPolarHBondContact OH-CD1 3.21Å |
| 43 | C | 90.8 | Very high | 85 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.007 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -53.3 | -36.9 | -172.4 | -66.6 | 0 | 0 | 0 | 0 | 113.5 | V29 C32 G33 V39 T40 G45 L46 C47 | V29-C43 HydrophobicContact CG1-CB 4.34Å; C32-C43 HydrophobicContact CB-CB 3.66Å; C32-C43 WeakPolarHBondContact CB-SG 3.38Å; C32-C43 WeakPolarHBondContact SG-CA 3.49Å; C32-C43 WeakPolarHBondContact SG-CB 3.02Å; C32-C43 CovalentContact SG-SG 2.04Å; C32-C43 PolarHBondContact SG-SG 2.82Å; G33-C43 PolarHBondContact N-SG 3.01Å; G33-C43 VanDerWaalsContact N-SG 3.41Å; V39-C43 PolarHBondContact O-N 3.38Å; T40-C43 PolarHBondContact O-N 3.44Å; C43-G45 VanDerWaalsContact C-N 3.34Å; C43-G45 PolarHBondContact O-N 3.46Å; C43-L46 PolarHBondContact O-N 3Å; C43-C47 WeakPolarHBondContact O-CB 3.47Å; C43-C47 PolarHBondContact O-N 2.98Å; C43-C47 PolarHBondContact O-SG 3.05Å |
| 44 | G | 87.9 | Confident | 85.1 | Confident | 41 Ų | 41 | 46.9 Ų | 46.9 | 42% | 0.423 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.1 | -41.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y42 S48 | Y42-G44 PolarHBondContact O-N 3.22Å; Y42-G44 VanDerWaalsContact O-N 3.08Å; G44-S48 PolarHBondContact O-N 3.19Å |
| 45 | G | 87.1 | Confident | 85.6 | Confident | 41 Ų | 41 | 45.8 Ų | 45.8 | 42% | 0.423 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -77.9 | -40.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y42 C43 C47 S48 T51 | Y42-G45 PolarHBondContact O-N 3.06Å; C43-G45 VanDerWaalsContact C-N 3.34Å; C43-G45 PolarHBondContact O-N 3.46Å; G45-C47 PolarHBondContact O-N 3.44Å; G45-S48 WeakPolarHBondContact O-CB 3.26Å; G45-S48 PolarHBondContact O-N 3.36Å; G45-S48 PolarHBondContact O-OG 3.37Å; G45-T51 PolarHBondContact O-OG1 3.4Å |
| 46 | L | 88.9 | Confident | 86.6 | Confident | 7 Ų | 7 | 40.7 Ų | 40.7 | 4% | 0.037 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61 | -43.2 | 177.3 | -67 | -179 | 0 | 0 | 0 | 111.6 | V39 Y42 C43 S48 T51 F56 Y59 | V39-L46 HydrophobicContact CG2-CD1 3.65Å; Y42-L46 WeakPolarHBondContact O-CG 3.41Å; Y42-L46 PolarHBondContact O-N 2.65Å; C43-L46 PolarHBondContact O-N 3Å; L46-S48 VanDerWaalsContact C-N 3.32Å; L46-S48 PolarHBondContact O-N 3.49Å; L46-T51 HydrophobicContact CD2-CG2 3.86Å; L46-F56 HydrophobicContact CB-CD2 3.67Å; L46-F56 HydrophobicContact CB-CE2 3.9Å; L46-Y59 HydrophobicContact CD1-CD1 3.98Å; L46-Y59 HydrophobicContact CD1-CG 3.94Å; L46-Y59 HydrophobicContact CD2-CD1 4.26Å; L46-Y59 HydrophobicContact CD2-CD2 4.02Å; L46-Y59 HydrophobicContact CD2-CE2 4.48Å; L46-Y59 HydrophobicContact CD2-CG 3.89Å |
| 47 | C | 89 | Confident | 87.5 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 3.4 | 178.8 | -61.6 | 0 | 0 | 0 | 0 | 114.1 | Q25 C28 V29 C43 G45 G49 L118 | Q25-C47 HydrophobicContact CG-CB 4.29Å; Q25-C47 WeakPolarHBondContact CG-O 3.04Å; C28-C47 HydrophobicContact CB-CB 3.66Å; C28-C47 WeakPolarHBondContact CB-SG 3.44Å; C28-C47 PolarHBondContact O-SG 3.41Å; C28-C47 WeakPolarHBondContact SG-CB 3.4Å; C28-C47 CovalentContact SG-SG 2.04Å; C28-C47 PolarHBondContact SG-SG 3.21Å; V29-C47 HydrophobicContact CG2-CB 3.68Å; V29-C47 PolarHBondContact N-SG 3.05Å; C43-C47 WeakPolarHBondContact O-CB 3.47Å; C43-C47 PolarHBondContact O-N 2.98Å; C43-C47 PolarHBondContact O-SG 3.05Å; G45-C47 PolarHBondContact O-N 3.44Å; C47-G49 PolarHBondContact O-N 3.17Å; C47-L118 WeakPolarHBondContact O-CD1 3.48Å |
| 48 | S | 84.6 | Confident | 88 | Confident | 46 Ų | 46 | 33.6 Ų | 33.6 | 32% | 0.322 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -7.3 | -178 | 68.9 | 0 | 0 | 0 | 0 | 114.7 | G44 G45 L46 S50 | G44-S48 PolarHBondContact O-N 3.19Å; G45-S48 WeakPolarHBondContact O-CB 3.26Å; G45-S48 PolarHBondContact O-N 3.36Å; G45-S48 PolarHBondContact O-OG 3.37Å; L46-S48 VanDerWaalsContact C-N 3.32Å; L46-S48 PolarHBondContact O-N 3.49Å; S48-S50 PolarHBondContact O-N 2.03Å; S48-S50 PolarHBondContact OG-N 2.03Å |
| 49 | G | 77.1 | Confident | 88.1 | Confident | 16 Ų | 16 | 32.5 Ų | 32.5 | 17% | 0.165 | 20% | 0.197 | C | C | . | . | S | Bend | trans | 76.4 | -17 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | C47 T51 G113 | C47-G49 PolarHBondContact O-N 3.17Å; G49-T51 VanDerWaalsContact C-N 3.26Å; G49-T51 PolarHBondContact O-N 3.29Å; G49-G113 WeakPolarHBondContact O-CA 3.42Å; G49-G113 PolarHBondContact O-N 3.32Å |
| 50 | S | 79.9 | Confident | 88.1 | Confident | 95 Ų | 95 | 32.6 Ų | 32.6 | 66% | 0.664 | 20% | 0.198 | S | C | * | . | trans | -81.3 | -5.6 | 177.1 | -58.5 | 0 | 0 | 0 | 0 | 113.6 | S48 V112 | S48-S50 PolarHBondContact O-N 2.03Å; S48-S50 PolarHBondContact OG-N 2.03Å; S50-V112 WeakPolarHBondContact O-CG1 3.42Å | ||
| 51 | T | 84.3 | Confident | 88.2 | Confident | 35 Ų | 35 | 29.4 Ų | 29.4 | 22% | 0.215 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -98.5 | 129.3 | 175.7 | -58.3 | 0 | 0 | 0 | 0 | 108.9 | G45 L46 G49 T55 F56 | G45-T51 PolarHBondContact O-OG1 3.4Å; L46-T51 HydrophobicContact CD2-CG2 3.86Å; G49-T51 VanDerWaalsContact C-N 3.26Å; G49-T51 PolarHBondContact O-N 3.29Å; T51-T55 HydrophobicContact CG2-CG2 3.72Å; T51-F56 HydrophobicContact CG2-CB 4.39Å |
| 52 | G | 85.9 | Confident | 88.3 | Confident | 5 Ų | 5 | 22.4 Ų | 22.4 | 5% | 0.052 | 15% | 0.153 | C | C | . | . | trans | -68 | 152.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q54 T55 F56 | G52-Q54 PolarHBondContact O-N 2.94Å; G52-Q54 VanDerWaalsContact O-N 3.14Å; G52-T55 PolarHBondContact O-N 2.92Å; G52-T55 VanDerWaalsContact O-N 3.09Å; G52-F56 PolarHBondContact O-N 3.38Å | ||
| 53 | P | 86.5 | Confident | 88.3 | Confident | 7 Ų | 7 | 19.8 Ų | 19.8 | 5% | 0.045 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.5 | -32.3 | -179 | 21.9 | -31.7 | 0 | 0 | 0 | 112.4 | F56 Y57 V107 G110 P117 | P53-F56 WeakPolarHBondContact O-CB 3.5Å; P53-F56 PolarHBondContact O-N 3.35Å; P53-Y57 VanDerWaalsContact O-CD2 3.28Å; P53-Y57 WeakPolarHBondContact O-CD2 3.09Å; P53-Y57 PolarHBondContact O-N 3.46Å; P53-V107 WeakPolarHBondContact CB-O 3.28Å; P53-V107 WeakPolarHBondContact CG-O 3.05Å; P53-G110 VanDerWaalsContact CG-O 3.26Å; P53-G110 WeakPolarHBondContact CG-O 3.46Å; P53-P117 HydrophobicContact CB-CB 4.44Å |
| 54 | Q | 88.7 | Confident | 88.3 | Confident | 40 Ų | 40 | 24.8 Ų | 24.8 | 19% | 0.187 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.6 | -43 | 179 | -51 | 80.8 | -0.4 | 0 | 0 | 111.8 | G52 C58 L85 C90 C108 G110 | G52-Q54 PolarHBondContact O-N 2.94Å; G52-Q54 VanDerWaalsContact O-N 3.14Å; Q54-C58 VanDerWaalsContact O-CB 3.26Å; Q54-C58 WeakPolarHBondContact O-CB 3.07Å; Q54-C58 PolarHBondContact O-N 3.15Å; Q54-C58 VanDerWaalsContact O-N 3.08Å; Q54-L85 HydrophobicContact CB-CB 3.79Å; Q54-L85 HydrophobicContact CB-CD1 4.45Å; Q54-C90 HydrophobicContact CB-CB 4.03Å; Q54-C90 HydrophobicContact CG-CB 3.93Å; Q54-C108 PolarHBondContact NE2-O 3.28Å; Q54-G110 PolarHBondContact NE2-O 3.12Å |
| 55 | T | 89.8 | Confident | 88.4 | Confident | 38 Ų | 38 | 27.2 Ų | 27.2 | 23% | 0.233 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.9 | -42.6 | 174.5 | -56.5 | 0 | 0 | 0 | 0 | 110.5 | T51 G52 C58 Y59 L85 | T51-T55 HydrophobicContact CG2-CG2 3.72Å; G52-T55 PolarHBondContact O-N 2.92Å; G52-T55 VanDerWaalsContact O-N 3.09Å; T55-C58 PolarHBondContact O-N 3.05Å; T55-Y59 HydrophobicContact CG2-CD2 3.96Å; T55-Y59 HydrophobicContact CG2-CE2 3.86Å; T55-Y59 WeakPolarHBondContact O-CD2 3.46Å; T55-Y59 PolarHBondContact O-N 3.4Å; T55-Y59 VanDerWaalsContact O-N 3.08Å; T55-L85 WeakPolarHBondContact OG1-CD1 3.2Å |
| 56 | F | 90.8 | Very high | 88.5 | Confident | 6 Ų | 6 | 25.9 Ų | 25.9 | 3% | 0.026 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -54.6 | -55.9 | 177.8 | -177.4 | -93.5 | 0 | 0 | 0 | 112 | L46 T51 G52 P53 C58 Y59 L60 L118 Y121 | L46-F56 HydrophobicContact CB-CD2 3.67Å; L46-F56 HydrophobicContact CB-CE2 3.9Å; T51-F56 HydrophobicContact CG2-CB 4.39Å; G52-F56 PolarHBondContact O-N 3.38Å; P53-F56 WeakPolarHBondContact O-CB 3.5Å; P53-F56 PolarHBondContact O-N 3.35Å; F56-C58 PolarHBondContact O-N 3.35Å; F56-Y59 PolarHBondContact O-N 2.97Å; F56-L60 HydrophobicContact CD1-CD1 3.92Å; F56-L60 HydrophobicContact CE1-CD1 3.34Å; F56-L60 HydrophobicContact CE1-CG 4.23Å; F56-L60 HydrophobicContact CZ-CD1 3.85Å; F56-L60 PolarHBondContact O-N 3.19Å; F56-L118 HydrophobicContact CD2-CD2 4.38Å; F56-L118 HydrophobicContact CE2-CD2 4.17Å; F56-L118 HydrophobicContact CZ-CD2 4.47Å; F56-Y121 HydrophobicContact CE1-CD1 4.23Å; F56-Y121 AromaticContact CE1-CD2 3.74Å; F56-Y121 HydrophobicContact CE1-CD2 3.74Å; F56-Y121 HydrophobicContact CE1-CE1 4.47Å; F56-Y121 HydrophobicContact CE1-CE2 4.03Å; F56-Y121 AromaticContact CE1-CG 3.84Å; F56-Y121 HydrophobicContact CE1-CG 3.84Å; F56-Y121 AromaticContact CZ-CD1 3.8Å; F56-Y121 HydrophobicContact CZ-CD1 3.8Å; F56-Y121 HydrophobicContact CZ-CD2 4.07Å; F56-Y121 AromaticContact CZ-CE1 3.83Å; F56-Y121 HydrophobicContact CZ-CE1 3.83Å; F56-Y121 HydrophobicContact CZ-CE2 4.12Å; F56-Y121 AromaticContact CZ-CG 3.91Å; F56-Y121 HydrophobicContact CZ-CG 3.91Å; F56-Y121 AromaticContact CZ-CZ 4Å |
| 57 | Y | 91.1 | Very high | 88.7 | Confident | 3 Ų | 3 | 30.3 Ų | 30.3 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.6 | -32.4 | -179.7 | -79.8 | -72 | 0 | 0 | 0 | 112.9 | P53 Y59 L60 G61 D93 C94 V97 V107 | P53-Y57 VanDerWaalsContact O-CD2 3.28Å; P53-Y57 WeakPolarHBondContact O-CD2 3.09Å; P53-Y57 PolarHBondContact O-N 3.46Å; Y57-Y59 VanDerWaalsContact C-N 3.33Å; Y57-Y59 PolarHBondContact O-N 2.8Å; Y57-L60 HydrophobicContact CD1-CD1 4.32Å; Y57-L60 HydrophobicContact CE1-CD1 4.49Å; Y57-L60 PolarHBondContact O-N 3.13Å; Y57-G61 PolarHBondContact O-N 3.28Å; Y57-D93 WeakPolarHBondContact O-CB 3.02Å; Y57-C94 VanDerWaalsContact CD1-CA 3.43Å; Y57-C94 HydrophobicContact CD1-CB 3.56Å; Y57-C94 HydrophobicContact CD2-CB 4.28Å; Y57-C94 HydrophobicContact CE1-CB 3.77Å; Y57-C94 HydrophobicContact CG-CB 3.82Å; Y57-V97 HydrophobicContact CD1-CG2 3.8Å; Y57-V97 HydrophobicContact CE1-CG2 3.97Å; Y57-V107 HydrophobicContact CD2-CG2 4.08Å; Y57-V107 HydrophobicContact CE2-CB 3.84Å; Y57-V107 HydrophobicContact CE2-CG2 3.29Å |
| 58 | C | 92.2 | Very high | 88.8 | Confident | 8 Ų | 8 | 33.4 Ų | 33.4 | 5% | 0.054 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.1 | -44.7 | 173 | -176.3 | 0 | 0 | 0 | 0 | 111.6 | Q54 T55 F56 L60 G61 C62 C79 L85 | Q54-C58 VanDerWaalsContact O-CB 3.26Å; Q54-C58 WeakPolarHBondContact O-CB 3.07Å; Q54-C58 PolarHBondContact O-N 3.15Å; Q54-C58 VanDerWaalsContact O-N 3.08Å; T55-C58 PolarHBondContact O-N 3.05Å; F56-C58 PolarHBondContact O-N 3.35Å; C58-L60 PolarHBondContact O-N 2.9Å; C58-G61 PolarHBondContact O-N 3.25Å; C58-C62 WeakPolarHBondContact O-CB 3.27Å; C58-C62 PolarHBondContact O-N 3.05Å; C58-C62 PolarHBondContact O-SG 3.46Å; C58-C79 HydrophobicContact CB-CB 3.77Å; C58-C79 WeakPolarHBondContact CB-SG 3.48Å; C58-C79 PolarHBondContact O-SG 3.47Å; C58-C79 WeakPolarHBondContact SG-CA 3.11Å; C58-C79 WeakPolarHBondContact SG-CB 3.48Å; C58-C79 CovalentContact SG-SG 2.04Å; C58-C79 PolarHBondContact SG-SG 2.87Å; C58-L85 HydrophobicContact CB-CD2 3.68Å |
| 59 | Y | 92.8 | Very high | 89.1 | Confident | 14 Ų | 14 | 34.3 Ų | 34.3 | 6% | 0.055 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.3 | -43.9 | 176.7 | -91.9 | -107.8 | 0 | 0 | 0 | 112 | V39 Y42 L46 T55 F56 Y57 C62 S63 F72 L76 C79 N80 | V39-Y59 HydrophobicContact CG2-CD1 4.15Å; Y42-Y59 HydrophobicContact CD1-CD1 4.37Å; Y42-Y59 AromaticContact CD1-CE1 3.56Å; Y42-Y59 HydrophobicContact CD1-CE1 3.56Å; Y42-Y59 HydrophobicContact CD2-CD1 4.17Å; Y42-Y59 AromaticContact CD2-CE1 3.97Å; Y42-Y59 HydrophobicContact CD2-CE1 3.97Å; Y42-Y59 AromaticContact CE1-CE1 3.9Å; Y42-Y59 HydrophobicContact CE1-CE1 3.9Å; Y42-Y59 HydrophobicContact CE2-CE1 4.3Å; Y42-Y59 AromaticContact CG-CD1 3.94Å; Y42-Y59 HydrophobicContact CG-CD1 3.94Å; Y42-Y59 AromaticContact CG-CE1 3.57Å; Y42-Y59 HydrophobicContact CG-CE1 3.57Å; L46-Y59 HydrophobicContact CD1-CD1 3.98Å; L46-Y59 HydrophobicContact CD1-CG 3.94Å; L46-Y59 HydrophobicContact CD2-CD1 4.26Å; L46-Y59 HydrophobicContact CD2-CD2 4.02Å; L46-Y59 HydrophobicContact CD2-CE2 4.48Å; L46-Y59 HydrophobicContact CD2-CG 3.89Å; T55-Y59 HydrophobicContact CG2-CD2 3.96Å; T55-Y59 HydrophobicContact CG2-CE2 3.86Å; T55-Y59 WeakPolarHBondContact O-CD2 3.46Å; T55-Y59 PolarHBondContact O-N 3.4Å; T55-Y59 VanDerWaalsContact O-N 3.08Å; F56-Y59 PolarHBondContact O-N 2.97Å; Y57-Y59 VanDerWaalsContact C-N 3.33Å; Y57-Y59 PolarHBondContact O-N 2.8Å; Y59-C62 PolarHBondContact O-N 2.73Å; Y59-S63 PolarHBondContact O-N 2.91Å; Y59-F72 HydrophobicContact CD1-CZ 4.22Å; Y59-L76 HydrophobicContact CD1-CD2 3.66Å; Y59-L76 HydrophobicContact CE1-CD2 3.27Å; Y59-L76 HydrophobicContact CE2-CD2 4.37Å; Y59-L76 HydrophobicContact CG-CD2 4.36Å; Y59-C79 HydrophobicContact CD2-CB 3.54Å; Y59-C79 HydrophobicContact CE2-CB 3.49Å; Y59-C79 VanDerWaalsContact CE2-CB 3.49Å; Y59-N80 PolarHBondContact OH-ND2 3.49Å; Y59-N80 PolarHBondContact OH-OD1 3.27Å |
| 60 | L | 91.9 | Very high | 89.9 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.1 | -45.7 | 176.8 | -65.4 | -176.4 | 0 | 0 | 0 | 111.8 | V39 F56 Y57 C58 C62 S63 H64 V97 Y121 | V39-L60 HydrophobicContact CG1-CD2 4.12Å; V39-L60 HydrophobicContact CG2-CD2 4.44Å; F56-L60 HydrophobicContact CD1-CD1 3.92Å; F56-L60 HydrophobicContact CE1-CD1 3.34Å; F56-L60 HydrophobicContact CE1-CG 4.23Å; F56-L60 HydrophobicContact CZ-CD1 3.85Å; F56-L60 PolarHBondContact O-N 3.19Å; Y57-L60 HydrophobicContact CD1-CD1 4.32Å; Y57-L60 HydrophobicContact CE1-CD1 4.49Å; Y57-L60 PolarHBondContact O-N 3.13Å; C58-L60 PolarHBondContact O-N 2.9Å; L60-C62 VanDerWaalsContact C-N 3.34Å; L60-C62 PolarHBondContact O-N 2.89Å; L60-S63 PolarHBondContact O-N 2.04Å; L60-S63 VanDerWaalsContact O-N 3.15Å; L60-H64 WeakPolarHBondContact O-CB 3.04Å; L60-H64 PolarHBondContact O-N 3.45Å; L60-V97 HydrophobicContact CB-CB 4.42Å; L60-V97 HydrophobicContact CB-CG1 4.06Å; L60-V97 HydrophobicContact CB-CG2 4.1Å; L60-V97 HydrophobicContact CD1-CG2 4.26Å; L60-Y121 HydrophobicContact CD1-CD2 4.16Å; L60-Y121 HydrophobicContact CD1-CE2 3.53Å |
| 61 | G | 91.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63 | -38.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y57 C58 N65 | Y57-G61 PolarHBondContact O-N 3.28Å; C58-G61 PolarHBondContact O-N 3.25Å; G61-N65 WeakPolarHBondContact O-CB 3.42Å; G61-N65 PolarHBondContact O-N 3.49Å; G61-N65 PolarHBondContact O-ND2 3.46Å |
| 62 | C | 92 | Very high | 91 | Very high | 5 Ų | 5 | 34.4 Ų | 34.4 | 3% | 0.034 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.6 | -44.9 | 171.3 | -76.9 | 0 | 0 | 0 | 0 | 111.8 | C58 Y59 L60 A66 F72 C75 C79 | C58-C62 WeakPolarHBondContact O-CB 3.27Å; C58-C62 PolarHBondContact O-N 3.05Å; C58-C62 PolarHBondContact O-SG 3.46Å; Y59-C62 PolarHBondContact O-N 2.73Å; L60-C62 VanDerWaalsContact C-N 3.34Å; L60-C62 PolarHBondContact O-N 2.89Å; C62-A66 WeakPolarHBondContact O-CB 3.37Å; C62-A66 PolarHBondContact O-N 3.06Å; C62-A66 VanDerWaalsContact O-N 3.15Å; C62-F72 HydrophobicContact CB-CD2 3.9Å; C62-F72 HydrophobicContact CB-CE2 3.92Å; C62-C75 VanDerWaalsContact CA-SG 3.5Å; C62-C75 HydrophobicContact CB-CB 3.59Å; C62-C75 WeakPolarHBondContact CB-SG 3.02Å; C62-C75 WeakPolarHBondContact SG-CB 3.26Å; C62-C75 CovalentContact SG-SG 2.03Å; C62-C75 PolarHBondContact SG-SG 3.22Å; C62-C79 PolarHBondContact SG-SG 3.41Å |
| 63 | S | 92.1 | Very high | 91.3 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 4% | 0.035 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.7 | -43.1 | 180 | -172.8 | 0 | 0 | 0 | 0 | 112.1 | N36 Y59 L60 N65 A66 | N36-S63 VanDerWaalsContact CB-OG 3.26Å; N36-S63 WeakPolarHBondContact CB-OG 3.43Å; N36-S63 PolarHBondContact OD1-OG 2.94Å; N36-S63 VanDerWaalsContact OD1-OG 3.08Å; Y59-S63 PolarHBondContact O-N 2.91Å; L60-S63 PolarHBondContact O-N 2.04Å; L60-S63 VanDerWaalsContact O-N 3.15Å; S63-N65 VanDerWaalsContact C-N 3.26Å; S63-N65 PolarHBondContact O-N 3.31Å; S63-A66 PolarHBondContact O-N 2.69Å |
| 64 | H | 90.4 | Very high | 91.5 | Very high | 106 Ų | 106 | 42.9 Ų | 42.9 | 49% | 0.491 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.2 | -35.5 | 179.5 | -173.8 | 93.2 | 0 | 0 | 0 | 112.5 | L60 R96 V97 | L60-H64 WeakPolarHBondContact O-CB 3.04Å; L60-H64 PolarHBondContact O-N 3.45Å; H64-R96 PolarHBondContact CE1-O 2.94Å; H64-R96 PolarHBondContact NE2-O 3.43Å; H64-V97 HydrophobicContact CB-CG1 3.71Å |
| 65 | N | 88.8 | Confident | 91.6 | Very high | 91 Ų | 91 | 42.6 Ų | 42.6 | 49% | 0.487 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -88.3 | -11 | 179.6 | -73.1 | -24 | 0 | 0 | 0 | 114.2 | G61 S63 R96 | G61-N65 WeakPolarHBondContact O-CB 3.42Å; G61-N65 PolarHBondContact O-N 3.49Å; G61-N65 PolarHBondContact O-ND2 3.46Å; S63-N65 VanDerWaalsContact C-N 3.26Å; S63-N65 PolarHBondContact O-N 3.31Å; N65-R96 PolarHBondContact ND2-NH1 3.14Å |
| 66 | A | 90.9 | Very high | 91.7 | Very high | 14 Ų | 14 | 41.3 Ų | 41.3 | 12% | 0.116 | 22% | 0.221 | C | C | . | . | trans | -78.4 | 130.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y38 C62 S63 D71 F72 | Y38-A66 HydrophobicContact CD2-CB 3.77Å; Y38-A66 HydrophobicContact CE2-CB 3.94Å; Y38-A66 WeakPolarHBondContact CE2-O 3.24Å; C62-A66 WeakPolarHBondContact O-CB 3.37Å; C62-A66 PolarHBondContact O-N 3.06Å; C62-A66 VanDerWaalsContact O-N 3.15Å; S63-A66 PolarHBondContact O-N 2.69Å; A66-D71 HydrophobicContact CB-CB 4.17Å; A66-F72 HydrophobicContact CB-CB 3.68Å | ||
| 67 | S | 91.7 | Very high | 91.6 | Very high | 100 Ų | 100 | 45.1 Ų | 45.1 | 70% | 0.699 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -87.5 | -12.4 | 171.8 | -60.9 | 0 | 0 | 0 | 0 | 112.8 | ||
| 68 | N | 92.1 | Very high | 91.4 | Very high | 64 Ų | 64 | 51.2 Ų | 51.2 | 34% | 0.342 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -163.5 | 168.8 | 179.1 | 56.9 | 73.2 | 0 | 0 | 0 | 109.9 | Y38 N70 D71 F72 | Y38-N68 WeakPolarHBondContact OH-CA 3.45Å; N68-N70 PolarHBondContact O-N 3.21Å; N68-N70 WeakPolarHBondContact OD1-CA 3.41Å; N68-N70 VanDerWaalsContact OD1-CB 3.29Å; N68-N70 WeakPolarHBondContact OD1-CB 3.22Å; N68-N70 PolarHBondContact OD1-N 3.39Å; N68-D71 PolarHBondContact ND2-OD2 3.4Å; N68-D71 PolarHBondContact O-N 3.47Å; N68-D71 VanDerWaalsContact O-N 3.13Å; N68-D71 PolarHBondContact OD1-N 2.84Å; N68-F72 PolarHBondContact O-N 3.42Å |
| 69 | Q | 91.4 | Very high | 91.2 | Very high | 65 Ų | 65 | 51 Ų | 51 | 30% | 0.304 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56 | -35.2 | 179.8 | -174.7 | 63.9 | 55.4 | 0 | 0 | 113.7 | Y38 F72 D73 | Y38-Q69 HydrophobicContact CD1-CB 4.2Å; Y38-Q69 HydrophobicContact CE1-CB 4.38Å; Q69-F72 PolarHBondContact O-N 2.96Å; Q69-D73 PolarHBondContact NE2-OD1 3.46Å; Q69-D73 WeakPolarHBondContact O-CB 3.34Å; Q69-D73 PolarHBondContact O-N 2.97Å |
| 70 | N | 93.7 | Very high | 90.8 | Very high | 91 Ų | 91 | 55.2 Ų | 55.2 | 49% | 0.487 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -70.3 | -35.2 | -179.1 | -179.1 | 47.4 | 0 | 0 | 0 | 111.9 | N68 K74 | N68-N70 PolarHBondContact O-N 3.21Å; N68-N70 WeakPolarHBondContact OD1-CA 3.41Å; N68-N70 VanDerWaalsContact OD1-CB 3.29Å; N68-N70 WeakPolarHBondContact OD1-CB 3.22Å; N68-N70 PolarHBondContact OD1-N 3.39Å; N70-K74 WeakPolarHBondContact ND2-CE 3.1Å; N70-K74 PolarHBondContact ND2-NZ 3.18Å; N70-K74 VanDerWaalsContact ND2-NZ 3.18Å; N70-K74 VanDerWaalsContact O-CG 3.24Å; N70-K74 WeakPolarHBondContact O-CG 3.31Å; N70-K74 PolarHBondContact O-N 3.48Å |
| 71 | D | 93.3 | Very high | 89.6 | Confident | 58 Ų | 58 | 56.4 Ų | 56.4 | 31% | 0.31 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.8 | -40.8 | 174.3 | -64.5 | -26.9 | 0 | 0 | 0 | 111.2 | A66 N68 K74 C75 | A66-D71 HydrophobicContact CB-CB 4.17Å; N68-D71 PolarHBondContact ND2-OD2 3.4Å; N68-D71 PolarHBondContact O-N 3.47Å; N68-D71 VanDerWaalsContact O-N 3.13Å; N68-D71 PolarHBondContact OD1-N 2.84Å; D71-K74 PolarHBondContact O-N 2.89Å; D71-K74 IonicContact OD1-NZ 3.71Å; D71-C75 PolarHBondContact O-N 3.28Å |
| 72 | F | 93.2 | Very high | 88 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.3 | -49.7 | 172.7 | 178.3 | -101.8 | 0 | 0 | 0 | 111.8 | Y38 V39 Y42 Y59 C62 A66 N68 Q69 K74 C75 L76 | Y38-F72 HydrophobicContact CD2-CB 4.39Å; Y38-F72 HydrophobicContact CG-CB 4.14Å; Y38-F72 HydrophobicContact CG-CG 4.37Å; Y38-F72 WeakPolarHBondContact O-CE1 3.17Å; V39-F72 HydrophobicContact CB-CE2 4.41Å; V39-F72 HydrophobicContact CB-CZ 4.3Å; V39-F72 HydrophobicContact CG2-CZ 4.28Å; Y42-F72 HydrophobicContact CD2-CE1 4.17Å; Y42-F72 HydrophobicContact CD2-CZ 4.15Å; Y42-F72 AromaticContact CE2-CE1 3.66Å; Y42-F72 HydrophobicContact CE2-CE1 3.66Å; Y42-F72 HydrophobicContact CE2-CZ 4.09Å; Y59-F72 HydrophobicContact CD1-CZ 4.22Å; C62-F72 HydrophobicContact CB-CD2 3.9Å; C62-F72 HydrophobicContact CB-CE2 3.92Å; A66-F72 HydrophobicContact CB-CB 3.68Å; N68-F72 PolarHBondContact O-N 3.42Å; Q69-F72 PolarHBondContact O-N 2.96Å; F72-K74 VanDerWaalsContact C-N 3.27Å; F72-K74 PolarHBondContact O-N 2.93Å; F72-C75 WeakPolarHBondContact O-CA 3.04Å; F72-C75 VanDerWaalsContact O-CB 3.27Å; F72-C75 WeakPolarHBondContact O-CB 3.28Å; F72-C75 PolarHBondContact O-N 3.39Å; F72-L76 HydrophobicContact CD1-CD1 4.21Å; F72-L76 HydrophobicContact CD1-CD2 4.43Å; F72-L76 HydrophobicContact CD1-CG 4.2Å; F72-L76 HydrophobicContact CE1-CD1 3.78Å; F72-L76 HydrophobicContact CE1-CD2 3.69Å; F72-L76 HydrophobicContact CE1-CG 3.85Å; F72-L76 HydrophobicContact CE2-CD2 4.14Å; F72-L76 HydrophobicContact CZ-CD1 4.48Å; F72-L76 HydrophobicContact CZ-CD2 3.53Å; F72-L76 HydrophobicContact CZ-CG 4.18Å; F72-L76 PolarHBondContact O-N 2.92Å; F72-L76 VanDerWaalsContact O-N 3.13Å |
| 73 | D | 92.3 | Very high | 86.3 | Confident | 61 Ų | 61 | 67.2 Ų | 67.2 | 33% | 0.326 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.3 | -32.3 | -178.9 | -72.5 | -23.4 | 0 | 0 | 0 | 112.2 | R41 Q69 C75 P77 | R41-D73 IonicContact NH2-OD1 3.1Å; R41-D73 PolarHBondContact NH2-OD1 2.86Å; Q69-D73 PolarHBondContact NE2-OD1 3.46Å; Q69-D73 WeakPolarHBondContact O-CB 3.34Å; Q69-D73 PolarHBondContact O-N 2.97Å; D73-C75 VanDerWaalsContact C-N 3.29Å; D73-C75 PolarHBondContact O-N 3.46Å; D73-P77 VanDerWaalsContact O-CD 3.28Å; D73-P77 WeakPolarHBondContact O-CD 3.47Å |
| 74 | K | 91.8 | Very high | 84.6 | Confident | 128 Ų | 128 | 73.3 Ų | 73.3 | 56% | 0.557 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -69.9 | -24.3 | 171.9 | -73.9 | 168.2 | -172.7 | 165.9 | 0 | 113.5 | N70 D71 F72 P77 | N70-K74 WeakPolarHBondContact ND2-CE 3.1Å; N70-K74 PolarHBondContact ND2-NZ 3.18Å; N70-K74 VanDerWaalsContact ND2-NZ 3.18Å; N70-K74 VanDerWaalsContact O-CG 3.24Å; N70-K74 WeakPolarHBondContact O-CG 3.31Å; N70-K74 PolarHBondContact O-N 3.48Å; D71-K74 PolarHBondContact O-N 2.89Å; D71-K74 IonicContact OD1-NZ 3.71Å; F72-K74 VanDerWaalsContact C-N 3.27Å; F72-K74 PolarHBondContact O-N 2.93Å; K74-P77 WeakPolarHBondContact O-CD 3.38Å |
| 75 | C | 90.9 | Very high | 84 | Confident | 34 Ų | 34 | 70 Ų | 70 | 23% | 0.23 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -81.3 | -35.3 | 179.1 | -166.7 | 0 | 0 | 0 | 0 | 111.7 | C62 D71 F72 D73 P77 K78 | C62-C75 VanDerWaalsContact CA-SG 3.5Å; C62-C75 HydrophobicContact CB-CB 3.59Å; C62-C75 WeakPolarHBondContact CB-SG 3.02Å; C62-C75 WeakPolarHBondContact SG-CB 3.26Å; C62-C75 CovalentContact SG-SG 2.03Å; C62-C75 PolarHBondContact SG-SG 3.22Å; D71-C75 PolarHBondContact O-N 3.28Å; F72-C75 WeakPolarHBondContact O-CA 3.04Å; F72-C75 VanDerWaalsContact O-CB 3.27Å; F72-C75 WeakPolarHBondContact O-CB 3.28Å; F72-C75 PolarHBondContact O-N 3.39Å; D73-C75 VanDerWaalsContact C-N 3.29Å; D73-C75 PolarHBondContact O-N 3.46Å; C75-P77 VanDerWaalsContact C-CD 3.42Å; C75-K78 WeakPolarHBondContact O-CB 3.27Å; C75-K78 PolarHBondContact O-N 3Å |
| 76 | L | 90.3 | Very high | 83.8 | Confident | 12 Ų | 12 | 69.1 Ų | 69.1 | 6% | 0.063 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -50 | -40.7 | -177.3 | -71.1 | -177.4 | 0 | 0 | 0 | 116.3 | Y42 Y59 F72 K78 C79 N80 | Y42-L76 HydrophobicContact CE2-CD1 4.2Å; Y42-L76 VanDerWaalsContact OH-CD1 3.26Å; Y42-L76 WeakPolarHBondContact OH-CD1 3.21Å; Y59-L76 HydrophobicContact CD1-CD2 3.66Å; Y59-L76 HydrophobicContact CE1-CD2 3.27Å; Y59-L76 HydrophobicContact CE2-CD2 4.37Å; Y59-L76 HydrophobicContact CG-CD2 4.36Å; F72-L76 HydrophobicContact CD1-CD1 4.21Å; F72-L76 HydrophobicContact CD1-CD2 4.43Å; F72-L76 HydrophobicContact CD1-CG 4.2Å; F72-L76 HydrophobicContact CE1-CD1 3.78Å; F72-L76 HydrophobicContact CE1-CD2 3.69Å; F72-L76 HydrophobicContact CE1-CG 3.85Å; F72-L76 HydrophobicContact CE2-CD2 4.14Å; F72-L76 HydrophobicContact CZ-CD1 4.48Å; F72-L76 HydrophobicContact CZ-CD2 3.53Å; F72-L76 HydrophobicContact CZ-CG 4.18Å; F72-L76 PolarHBondContact O-N 2.92Å; F72-L76 VanDerWaalsContact O-N 3.13Å; L76-K78 PolarHBondContact O-N 3.06Å; L76-K78 VanDerWaalsContact O-N 3.12Å; L76-C79 PolarHBondContact O-N 2.05Å; L76-N80 PolarHBondContact O-N 3.36Å; L76-N80 PolarHBondContact O-ND2 3.03Å |
| 77 | P | 89.1 | Confident | 83.6 | Confident | 85 Ų | 85 | 72.9 Ų | 72.9 | 55% | 0.552 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -56.2 | -29.4 | 177.8 | -27.6 | 35.9 | 0 | 0 | 0 | 113.5 | D73 K74 C75 G81 | D73-P77 VanDerWaalsContact O-CD 3.28Å; D73-P77 WeakPolarHBondContact O-CD 3.47Å; K74-P77 WeakPolarHBondContact O-CD 3.38Å; C75-P77 VanDerWaalsContact C-CD 3.42Å; P77-G81 PolarHBondContact O-N 3.03Å |
| 78 | K | 86.9 | Confident | 83.5 | Confident | 131 Ų | 131 | 71.8 Ų | 71.8 | 57% | 0.57 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -70.4 | -34.9 | 176.3 | -60.1 | 179.8 | 179.1 | 178.7 | 0 | 112.3 | C75 L76 | C75-K78 WeakPolarHBondContact O-CB 3.27Å; C75-K78 PolarHBondContact O-N 3Å; L76-K78 PolarHBondContact O-N 3.06Å; L76-K78 VanDerWaalsContact O-N 3.12Å |
| 79 | C | 88.7 | Confident | 83.3 | Confident | 3 Ų | 3 | 70.2 Ų | 70.2 | 2% | 0.02 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -79.4 | -30.1 | 178.3 | -53.1 | 0 | 0 | 0 | 0 | 112.7 | C58 Y59 C62 L76 L85 | C58-C79 HydrophobicContact CB-CB 3.77Å; C58-C79 WeakPolarHBondContact CB-SG 3.48Å; C58-C79 PolarHBondContact O-SG 3.47Å; C58-C79 WeakPolarHBondContact SG-CA 3.11Å; C58-C79 WeakPolarHBondContact SG-CB 3.48Å; C58-C79 CovalentContact SG-SG 2.04Å; C58-C79 PolarHBondContact SG-SG 2.87Å; Y59-C79 HydrophobicContact CD2-CB 3.54Å; Y59-C79 HydrophobicContact CE2-CB 3.49Å; Y59-C79 VanDerWaalsContact CE2-CB 3.49Å; C62-C79 PolarHBondContact SG-SG 3.41Å; L76-C79 PolarHBondContact O-N 2.05Å; C79-L85 WeakPolarHBondContact O-CD1 3.29Å |
| 80 | N | 83.2 | Confident | 83.3 | Confident | 104 Ų | 104 | 67.1 Ų | 67.1 | 56% | 0.556 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -84.2 | -17.8 | 177.3 | -64.9 | -33.4 | 0 | 0 | 0 | 112.6 | Y59 L76 | Y59-N80 PolarHBondContact OH-ND2 3.49Å; Y59-N80 PolarHBondContact OH-OD1 3.27Å; L76-N80 PolarHBondContact O-N 3.36Å; L76-N80 PolarHBondContact O-ND2 3.03Å |
| 81 | G | 66.6 | Low | 83.3 | Confident | 27 Ų | 27 | 66.3 Ų | 66.3 | 28% | 0.278 | 37% | 0.372 | S | S | . | . | trans | -86.3 | 104.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | P77 P83 | P77-G81 PolarHBondContact O-N 3.03Å; G81-P83 VanDerWaalsContact C-N 3.3Å; G81-P83 WeakPolarHBondContact O-CD 3.43Å; G81-P83 VanDerWaalsContact O-N 3.09Å | ||
| 82 | S | 58.3 | Low | 83.2 | Confident | 109 Ų | 109 | 68.5 Ų | 68.5 | 76% | 0.762 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -47.5 | -32.6 | 176.5 | -131 | 0 | 0 | 0 | 0 | 117.1 | Q84 | S82-Q84 PolarHBondContact O-N 3.29Š|
| 83 | P | 56.7 | Low | 83.1 | Confident | 123 Ų | 123 | 69.7 Ų | 69.7 | 80% | 0.799 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -73.8 | 4.6 | -171.8 | 24.6 | -31.3 | 0 | 0 | 0 | 116.3 | G81 | G81-P83 VanDerWaalsContact C-N 3.3Å; G81-P83 WeakPolarHBondContact O-CD 3.43Å; G81-P83 VanDerWaalsContact O-N 3.09Å |
| 84 | Q | 57.3 | Low | 83.1 | Confident | 133 Ų | 133 | 66.8 Ų | 66.8 | 62% | 0.621 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -125.2 | -0.4 | -179.2 | -62.8 | -145.4 | 12.6 | 0 | 0 | 116.1 | S82 T86 S89 | S82-Q84 PolarHBondContact O-N 3.29Å; Q84-T86 VanDerWaalsContact C-N 3.27Å; Q84-T86 PolarHBondContact O-N 2.91Å; Q84-S89 PolarHBondContact O-OG 3.1Å |
| 85 | L | 76.8 | Confident | 83.1 | Confident | 36 Ų | 36 | 62.4 Ų | 62.4 | 19% | 0.188 | 37% | 0.366 | C | S | . | . | trans | -89.2 | 68.6 | -179.6 | -66.1 | -175.2 | 0 | 0 | 0 | 110.8 | Q54 T55 C58 C79 | Q54-L85 HydrophobicContact CB-CB 3.79Å; Q54-L85 HydrophobicContact CB-CD1 4.45Å; T55-L85 WeakPolarHBondContact OG1-CD1 3.2Å; C58-L85 HydrophobicContact CB-CD2 3.68Å; C79-L85 WeakPolarHBondContact O-CD1 3.29Å | ||
| 86 | T | 84.2 | Confident | 83 | Confident | 73 Ų | 73 | 66.6 Ų | 66.6 | 45% | 0.448 | 38% | 0.377 | S | S | . | . | trans | -76.1 | 160 | 170.3 | 64.3 | 0 | 0 | 0 | 0 | 110.9 | Q84 S88 S89 C90 | Q84-T86 VanDerWaalsContact C-N 3.27Å; Q84-T86 PolarHBondContact O-N 2.91Å; T86-S88 PolarHBondContact O-N 3.31Å; T86-S89 PolarHBondContact N-OG 3.02Å; T86-S89 PolarHBondContact O-N 3.46Å; T86-S89 PolarHBondContact O-OG 3.11Å; T86-S89 PolarHBondContact OG1-N 2.78Å; T86-S89 PolarHBondContact OG1-OG 3.18Å; T86-C90 PolarHBondContact O-N 3.36Å | ||
| 87 | E | 86.9 | Confident | 82.9 | Confident | 93 Ų | 93 | 67 Ų | 67 | 44% | 0.435 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -55.7 | -41.2 | 169.7 | -171.7 | -176.7 | 157.4 | 0 | 0 | 111.2 | S89 C90 Q91 C108 | E87-S89 PolarHBondContact O-N 3.01Å; E87-C90 WeakPolarHBondContact O-CB 3.42Å; E87-C90 PolarHBondContact O-N 3Å; E87-Q91 HydrophobicContact CG-CG 4.44Å; E87-Q91 WeakPolarHBondContact O-CG 3.24Å; E87-Q91 PolarHBondContact O-N 3.42Å; E87-Q91 PolarHBondContact OE1-NE2 3.46Å; E87-C108 HydrophobicContact CG-CB 3.91Å |
| 88 | S | 89.4 | Confident | 82.9 | Confident | 78 Ų | 78 | 63.6 Ų | 63.6 | 55% | 0.545 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 178 | -50.1 | 0 | 0 | 0 | 0 | 113.4 | T86 Q91 N92 | T86-S88 PolarHBondContact O-N 3.31Å; S88-Q91 PolarHBondContact O-N 3.1Å; S88-N92 PolarHBondContact O-N 3.37Å; S88-N92 PolarHBondContact O-ND2 3.05Å |
| 89 | S | 89.2 | Confident | 83 | Confident | 30 Ų | 30 | 61.6 Ų | 61.6 | 21% | 0.21 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.5 | -41.2 | 176.5 | 46.6 | 0 | 0 | 0 | 0 | 111.2 | Q84 T86 E87 Q91 N92 D93 | Q84-S89 PolarHBondContact O-OG 3.1Å; T86-S89 PolarHBondContact N-OG 3.02Å; T86-S89 PolarHBondContact O-N 3.46Å; T86-S89 PolarHBondContact O-OG 3.11Å; T86-S89 PolarHBondContact OG1-N 2.78Å; T86-S89 PolarHBondContact OG1-OG 3.18Å; E87-S89 PolarHBondContact O-N 3.01Å; S89-Q91 PolarHBondContact O-N 3.1Å; S89-N92 WeakPolarHBondContact O-CB 3.31Å; S89-N92 PolarHBondContact O-N 2.97Å; S89-D93 PolarHBondContact O-N 3.35Å |
| 90 | C | 91 | Very high | 83.1 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58 | -45.6 | 172.2 | 176.3 | 0 | 0 | 0 | 0 | 112.2 | Q54 T86 E87 N92 D93 C94 C108 | Q54-C90 HydrophobicContact CB-CB 4.03Å; Q54-C90 HydrophobicContact CG-CB 3.93Å; T86-C90 PolarHBondContact O-N 3.36Å; E87-C90 WeakPolarHBondContact O-CB 3.42Å; E87-C90 PolarHBondContact O-N 3Å; C90-N92 VanDerWaalsContact C-N 3.27Å; C90-N92 PolarHBondContact O-N 3.49Å; C90-D93 PolarHBondContact O-N 3.24Å; C90-C94 VanDerWaalsContact O-CB 3.23Å; C90-C94 WeakPolarHBondContact O-CB 3.31Å; C90-C94 PolarHBondContact O-N 2.88Å; C90-C108 HydrophobicContact CB-CB 3.57Å; C90-C108 WeakPolarHBondContact CB-SG 3.47Å; C90-C108 PolarHBondContact O-SG 2.73Å; C90-C108 VanDerWaalsContact O-SG 3.4Å; C90-C108 WeakPolarHBondContact SG-CA 3.26Å; C90-C108 WeakPolarHBondContact SG-CB 3.1Å; C90-C108 CovalentContact SG-SG 2.04Å; C90-C108 PolarHBondContact SG-SG 3.23Å |
| 91 | Q | 92.6 | Very high | 83.4 | Confident | 74 Ų | 74 | 62.4 Ų | 62.4 | 35% | 0.346 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.5 | -37.6 | 179.8 | -74.6 | 179.3 | 13.3 | 0 | 0 | 111.6 | E87 S88 S89 G95 C104 C108 | E87-Q91 HydrophobicContact CG-CG 4.44Å; E87-Q91 WeakPolarHBondContact O-CG 3.24Å; E87-Q91 PolarHBondContact O-N 3.42Å; E87-Q91 PolarHBondContact OE1-NE2 3.46Å; S88-Q91 PolarHBondContact O-N 3.1Å; S89-Q91 PolarHBondContact O-N 3.1Å; Q91-G95 PolarHBondContact O-N 3.27Å; Q91-C104 HydrophobicContact CB-CB 4.38Å; Q91-C104 HydrophobicContact CG-CB 4.3Å; Q91-C108 HydrophobicContact CG-CB 3.93Å; Q91-C108 PolarHBondContact N-SG 3.43Å |
| 92 | N | 91.8 | Very high | 84.4 | Confident | 105 Ų | 105 | 65.9 Ų | 65.9 | 56% | 0.561 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.6 | -44.4 | 174.5 | -75.9 | -60.4 | 0 | 0 | 0 | 112.3 | S88 S89 C90 R96 | S88-N92 PolarHBondContact O-N 3.37Å; S88-N92 PolarHBondContact O-ND2 3.05Å; S89-N92 WeakPolarHBondContact O-CB 3.31Å; S89-N92 PolarHBondContact O-N 2.97Å; C90-N92 VanDerWaalsContact C-N 3.27Å; C90-N92 PolarHBondContact O-N 3.49Å; N92-R96 WeakPolarHBondContact O-CG 3.38Å; N92-R96 PolarHBondContact O-N 3.46Å |
| 93 | D | 91.8 | Very high | 85.9 | Confident | 24 Ų | 24 | 60.7 Ų | 60.7 | 13% | 0.128 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -70.4 | -39.2 | 179.3 | -69.9 | -36.8 | 0 | 0 | 0 | 111.9 | Y57 S89 C90 R96 | Y57-D93 WeakPolarHBondContact O-CB 3.02Å; S89-D93 PolarHBondContact O-N 3.35Å; C90-D93 PolarHBondContact O-N 3.24Å; D93-R96 PolarHBondContact O-N 3.43Å; D93-R96 IonicContact OD1-NH1 3.65Å; D93-R96 PolarHBondContact OD1-NH1 2.04Å; D93-R96 VanDerWaalsContact OD1-NH1 3.1Å |
| 94 | C | 92.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.8 | -50.4 | 171 | 170.7 | 0 | 0 | 0 | 0 | 111.6 | Y57 C90 R96 V97 T98 C104 | Y57-C94 VanDerWaalsContact CD1-CA 3.43Å; Y57-C94 HydrophobicContact CD1-CB 3.56Å; Y57-C94 HydrophobicContact CD2-CB 4.28Å; Y57-C94 HydrophobicContact CE1-CB 3.77Å; Y57-C94 HydrophobicContact CG-CB 3.82Å; C90-C94 VanDerWaalsContact O-CB 3.23Å; C90-C94 WeakPolarHBondContact O-CB 3.31Å; C90-C94 PolarHBondContact O-N 2.88Å; C94-R96 PolarHBondContact O-N 3.08Å; C94-V97 WeakPolarHBondContact O-CG2 3.32Å; C94-V97 PolarHBondContact O-N 3.45Å; C94-T98 WeakPolarHBondContact O-CB 3.42Å; C94-T98 WeakPolarHBondContact O-CG2 3.06Å; C94-T98 PolarHBondContact O-N 3.28Å; C94-C104 HydrophobicContact CB-CB 3.73Å; C94-C104 WeakPolarHBondContact CB-SG 3.27Å; C94-C104 WeakPolarHBondContact SG-CA 3.36Å; C94-C104 WeakPolarHBondContact SG-CB 3.29Å; C94-C104 CovalentContact SG-SG 2.05Å; C94-C104 PolarHBondContact SG-SG 3.35Å |
| 95 | G | 92 | Very high | 89 | Confident | 36 Ų | 36 | 50.5 Ų | 50.5 | 37% | 0.371 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.1 | -18.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q91 C104 | Q91-G95 PolarHBondContact O-N 3.27Å; G95-C104 PolarHBondContact N-SG 3.27Å; G95-C104 VanDerWaalsContact N-SG 3.36Å |
| 96 | R | 87.8 | Confident | 89.5 | Confident | 122 Ų | 122 | 51 Ų | 51 | 46% | 0.46 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -83.7 | -28.3 | 175.6 | -69.8 | 167.9 | 177.2 | 168.4 | -3.3 | 113.5 | H64 N65 N92 D93 C94 | H64-R96 PolarHBondContact CE1-O 2.94Å; H64-R96 PolarHBondContact NE2-O 3.43Å; N65-R96 PolarHBondContact ND2-NH1 3.14Å; N92-R96 WeakPolarHBondContact O-CG 3.38Å; N92-R96 PolarHBondContact O-N 3.46Å; D93-R96 PolarHBondContact O-N 3.43Å; D93-R96 IonicContact OD1-NH1 3.65Å; D93-R96 PolarHBondContact OD1-NH1 2.04Å; D93-R96 VanDerWaalsContact OD1-NH1 3.1Å; C94-R96 PolarHBondContact O-N 3.08Å |
| 97 | V | 89 | Confident | 89.8 | Confident | 20 Ų | 20 | 47.5 Ų | 47.5 | 12% | 0.121 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -109.8 | -9.1 | -171 | -56.1 | 0 | 0 | 0 | 0 | 113.3 | Y57 L60 H64 C94 Q125 | Y57-V97 HydrophobicContact CD1-CG2 3.8Å; Y57-V97 HydrophobicContact CE1-CG2 3.97Å; L60-V97 HydrophobicContact CB-CB 4.42Å; L60-V97 HydrophobicContact CB-CG1 4.06Å; L60-V97 HydrophobicContact CB-CG2 4.1Å; L60-V97 HydrophobicContact CD1-CG2 4.26Å; H64-V97 HydrophobicContact CB-CG1 3.71Å; C94-V97 WeakPolarHBondContact O-CG2 3.32Å; C94-V97 PolarHBondContact O-N 3.45Å; V97-Q125 PolarHBondContact O-NE2 2.97Å |
| 98 | T | 89.3 | Confident | 89.9 | Confident | 15 Ų | 15 | 43 Ų | 43 | 9% | 0.092 | 25% | 0.248 | C | C | . | . | trans | -101.3 | 152.8 | -179 | -166.2 | 0 | 0 | 0 | 0 | 112.7 | C94 H100 P101 D124 | C94-T98 WeakPolarHBondContact O-CB 3.42Å; C94-T98 WeakPolarHBondContact O-CG2 3.06Å; C94-T98 PolarHBondContact O-N 3.28Å; T98-H100 PolarHBondContact OG1-N 3.4Å; T98-H100 VanDerWaalsContact OG1-N 3.09Å; T98-P101 HydrophobicContact CG2-CG 4.4Å; T98-D124 WeakPolarHBondContact CA-OD2 3.48Å; T98-D124 VanDerWaalsContact CB-OD2 3.26Å; T98-D124 WeakPolarHBondContact CB-OD2 3.34Å; T98-D124 PolarHBondContact OG1-OD1 3.27Å; T98-D124 PolarHBondContact OG1-OD2 3.27Å | ||
| 99 | T | 88.6 | Confident | 89.5 | Confident | 88 Ų | 88 | 41.4 Ų | 41.4 | 54% | 0.54 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -94.5 | -6 | 165.9 | 58 | 0 | 0 | 0 | 0 | 112.7 | P101 D124 | T99-P101 WeakPolarHBondContact O-CD 3.34Å; T99-D124 PolarHBondContact N-OD1 3.32Å; T99-D124 PolarHBondContact OG1-OD1 3.08Å |
| 100 | H | 89.6 | Confident | 88.7 | Confident | 45 Ų | 45 | 40.3 Ų | 40.3 | 21% | 0.208 | 24% | 0.237 | C | C | . | . | trans | -126.9 | 75 | -177.1 | -61.9 | 90.2 | 0 | 0 | 0 | 111.4 | T98 E102 L103 D124 F132 | T98-H100 PolarHBondContact OG1-N 3.4Å; T98-H100 VanDerWaalsContact OG1-N 3.09Å; H100-E102 VanDerWaalsContact CA-OE2 3.28Å; H100-E102 WeakPolarHBondContact CA-OE2 3.23Å; H100-E102 WeakPolarHBondContact CB-OE1 3.45Å; H100-E102 IonicContact CD2-OE1 2.89Å; H100-E102 IonicContact CG-OE1 3.87Å; H100-E102 PolarHBondContact O-N 3.43Å; H100-L103 HydrophobicContact CB-CD1 4.07Å; H100-L103 HydrophobicContact CB-CG 4.06Å; H100-L103 WeakPolarHBondContact O-CB 3.47Å; H100-L103 PolarHBondContact O-N 2.95Å; H100-D124 IonicContact CE1-OD1 3.96Å; H100-D124 IonicContact CG-OD1 2.84Å; H100-D124 PolarHBondContact N-OD1 2.03Å; H100-D124 IonicContact ND1-OD1 3.62Å; H100-D124 PolarHBondContact ND1-OD1 2.99Å; H100-F132 HydrophobicContact CB-CE1 4.06Å; H100-F132 HydrophobicContact CB-CE2 3.92Å; H100-F132 HydrophobicContact CB-CZ 3.48Å; H100-F132 VanDerWaalsContact CB-CZ 3.48Å; H100-F132 AromaticContact CD2-CD1 3.4Å; H100-F132 WeakPolarHBondContact CD2-CD1 3.09Å; H100-F132 AromaticContact CD2-CD2 3.93Å; H100-F132 AromaticContact CD2-CE1 3.27Å; H100-F132 WeakPolarHBondContact CD2-CE1 2.98Å; H100-F132 AromaticContact CD2-CE2 3.83Å; H100-F132 AromaticContact CD2-CG 3.7Å; H100-F132 AromaticContact CD2-CZ 3.49Å; H100-F132 VanDerWaalsContact CD2-CZ 3.49Å; H100-F132 WeakPolarHBondContact CD2-CZ 3.29Å; H100-F132 AromaticContact CE1-CD2 3.53Å; H100-F132 AromaticContact CE1-CE2 3.89Å; H100-F132 AromaticContact CE1-CG 3.68Å; H100-F132 AromaticContact CG-CD2 3.89Å; H100-F132 AromaticContact CG-CE1 3.64Å; H100-F132 AromaticContact CG-CE2 3.47Å; H100-F132 VanDerWaalsContact CG-CE2 3.47Å; H100-F132 AromaticContact CG-CZ 3.31Å; H100-F132 AromaticContact ND1-CD2 3.64Å; H100-F132 AromaticContact ND1-CE2 3.5Å; H100-F132 AromaticContact ND1-CZ 3.87Å; H100-F132 AromaticContact NE2-CD1 3.5Å; H100-F132 AromaticContact NE2-CD2 3.71Å; H100-F132 AromaticContact NE2-CE1 3.89Å; H100-F132 AromaticContact NE2-CG 3.38Å; H100-F132 WeakPolarHBondContact NE2-CG 3.04Å | ||
| 101 | P | 90 | Very high | 87.6 | Confident | 80 Ų | 80 | 46.1 Ų | 46.1 | 52% | 0.519 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -59.1 | -22.9 | -174.3 | -22.5 | 33 | 0 | 0 | 0 | 114.5 | T98 T99 L103 C104 | T98-P101 HydrophobicContact CG2-CG 4.4Å; T99-P101 WeakPolarHBondContact O-CD 3.34Å; P101-L103 PolarHBondContact O-N 3.01Å; P101-C104 VanDerWaalsContact O-CB 3.31Å; P101-C104 WeakPolarHBondContact O-CB 3.49Å; P101-C104 PolarHBondContact O-N 3.19Å |
| 102 | E | 88.1 | Confident | 86.2 | Confident | 99 Ų | 99 | 46.8 Ų | 46.8 | 46% | 0.463 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -62.8 | -21.2 | 175.9 | 75.6 | -77.3 | -175.5 | 0 | 0 | 113 | H100 C104 F132 | H100-E102 VanDerWaalsContact CA-OE2 3.28Å; H100-E102 WeakPolarHBondContact CA-OE2 3.23Å; H100-E102 WeakPolarHBondContact CB-OE1 3.45Å; H100-E102 IonicContact CD2-OE1 2.89Å; H100-E102 IonicContact CG-OE1 3.87Å; H100-E102 PolarHBondContact O-N 3.43Å; E102-C104 VanDerWaalsContact C-N 3.31Å; E102-F132 WeakPolarHBondContact OE1-CE1 3.33Å |
| 103 | L | 89.1 | Confident | 84.8 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -72.3 | -25.3 | 173.4 | -64 | -174.7 | 0 | 0 | 0 | 112.8 | H100 P101 G105 I106 V107 L120 D124 F132 K136 | H100-L103 HydrophobicContact CB-CD1 4.07Å; H100-L103 HydrophobicContact CB-CG 4.06Å; H100-L103 WeakPolarHBondContact O-CB 3.47Å; H100-L103 PolarHBondContact O-N 2.95Å; P101-L103 PolarHBondContact O-N 3.01Å; L103-G105 VanDerWaalsContact C-N 3.31Å; L103-G105 PolarHBondContact O-N 2.98Å; L103-I106 HydrophobicContact CD2-CD1 4.31Å; L103-I106 WeakPolarHBondContact O-CA 3.48Å; L103-I106 WeakPolarHBondContact O-CB 3.48Å; L103-I106 PolarHBondContact O-N 3.17Å; L103-V107 WeakPolarHBondContact O-CG2 3.33Å; L103-V107 PolarHBondContact O-N 2.92Å; L103-L120 HydrophobicContact CD1-CB 4.18Å; L103-L120 HydrophobicContact CD2-CD1 4.28Å; L103-L120 HydrophobicContact CD2-CD2 4Å; L103-D124 HydrophobicContact CD1-CB 4.3Å; L103-F132 HydrophobicContact CD1-CE2 3.68Å; L103-F132 HydrophobicContact CD1-CZ 3.48Å; L103-F132 VanDerWaalsContact CD1-CZ 3.48Å; L103-F132 HydrophobicContact CD2-CZ 3.9Å; L103-F132 HydrophobicContact CG-CE2 4.46Å; L103-F132 HydrophobicContact CG-CZ 3.76Å; L103-K136 HydrophobicContact CD2-CD 4.19Å |
| 104 | C | 91.6 | Very high | 83.6 | Confident | 6 Ų | 6 | 46 Ų | 46 | 4% | 0.041 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.5 | -38.9 | -169.2 | -64.9 | 0 | 0 | 0 | 0 | 112.7 | Q91 C94 G95 P101 E102 I106 C108 | Q91-C104 HydrophobicContact CB-CB 4.38Å; Q91-C104 HydrophobicContact CG-CB 4.3Å; C94-C104 HydrophobicContact CB-CB 3.73Å; C94-C104 WeakPolarHBondContact CB-SG 3.27Å; C94-C104 WeakPolarHBondContact SG-CA 3.36Å; C94-C104 WeakPolarHBondContact SG-CB 3.29Å; C94-C104 CovalentContact SG-SG 2.05Å; C94-C104 PolarHBondContact SG-SG 3.35Å; G95-C104 PolarHBondContact N-SG 3.27Å; G95-C104 VanDerWaalsContact N-SG 3.36Å; P101-C104 VanDerWaalsContact O-CB 3.31Å; P101-C104 WeakPolarHBondContact O-CB 3.49Å; P101-C104 PolarHBondContact O-N 3.19Å; E102-C104 VanDerWaalsContact C-N 3.31Å; C104-I106 VanDerWaalsContact C-N 3.28Å; C104-I106 PolarHBondContact O-N 2.65Å; C104-C108 WeakPolarHBondContact O-CB 3.34Å; C104-C108 PolarHBondContact O-N 3.12Å; C104-C108 PolarHBondContact O-SG 3.02Å |
| 105 | G | 88.3 | Confident | 82.8 | Confident | 36 Ų | 36 | 48.8 Ų | 48.8 | 37% | 0.371 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64 | -35 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | L103 G109 | L103-G105 VanDerWaalsContact C-N 3.31Å; L103-G105 PolarHBondContact O-N 2.98Å; G105-G109 PolarHBondContact O-N 3.23Å |
| 106 | I | 86.6 | Confident | 82.4 | Confident | 46 Ų | 46 | 47.5 Ų | 47.5 | 24% | 0.236 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -72.7 | -48.9 | -178.9 | -63.6 | 157.4 | 0 | 0 | 0 | 110.8 | L103 C104 F116 L120 Y140 | L103-I106 HydrophobicContact CD2-CD1 4.31Å; L103-I106 WeakPolarHBondContact O-CA 3.48Å; L103-I106 WeakPolarHBondContact O-CB 3.48Å; L103-I106 PolarHBondContact O-N 3.17Å; C104-I106 VanDerWaalsContact C-N 3.28Å; C104-I106 PolarHBondContact O-N 2.65Å; I106-F116 HydrophobicContact CG2-CE1 3.43Å; I106-F116 VanDerWaalsContact CG2-CE1 3.43Å; I106-F116 HydrophobicContact CG2-CZ 3.94Å; I106-L120 HydrophobicContact CG2-CD1 3.79Å; I106-Y140 WeakPolarHBondContact CD1-OH 3.31Å |
| 107 | V | 89.7 | Confident | 82.2 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -74.7 | -39 | -176 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | P53 Y57 L103 G109 G110 P117 L120 | P53-V107 WeakPolarHBondContact CB-O 3.28Å; P53-V107 WeakPolarHBondContact CG-O 3.05Å; Y57-V107 HydrophobicContact CD2-CG2 4.08Å; Y57-V107 HydrophobicContact CE2-CB 3.84Å; Y57-V107 HydrophobicContact CE2-CG2 3.29Å; L103-V107 WeakPolarHBondContact O-CG2 3.33Å; L103-V107 PolarHBondContact O-N 2.92Å; V107-G109 VanDerWaalsContact C-N 3.31Å; V107-G109 PolarHBondContact O-N 3.43Å; V107-G110 PolarHBondContact O-N 2.65Å; V107-P117 HydrophobicContact CB-CB 4.24Å; V107-P117 HydrophobicContact CG1-CB 4.27Å; V107-L120 HydrophobicContact CG1-CB 4.05Å; V107-L120 HydrophobicContact CG1-CD1 3.76Å |
| 108 | C | 89.1 | Confident | 82.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -75.3 | -20.1 | -177 | -68.1 | 0 | 0 | 0 | 0 | 114 | Q54 E87 C90 Q91 C104 G110 | Q54-C108 PolarHBondContact NE2-O 3.28Å; E87-C108 HydrophobicContact CG-CB 3.91Å; C90-C108 HydrophobicContact CB-CB 3.57Å; C90-C108 WeakPolarHBondContact CB-SG 3.47Å; C90-C108 PolarHBondContact O-SG 2.73Å; C90-C108 VanDerWaalsContact O-SG 3.4Å; C90-C108 WeakPolarHBondContact SG-CA 3.26Å; C90-C108 WeakPolarHBondContact SG-CB 3.1Å; C90-C108 CovalentContact SG-SG 2.04Å; C90-C108 PolarHBondContact SG-SG 3.23Å; Q91-C108 HydrophobicContact CG-CB 3.93Å; Q91-C108 PolarHBondContact N-SG 3.43Å; C104-C108 WeakPolarHBondContact O-CB 3.34Å; C104-C108 PolarHBondContact O-N 3.12Å; C104-C108 PolarHBondContact O-SG 3.02Å; C108-G110 VanDerWaalsContact C-N 3.29Å |
| 109 | G | 82.4 | Confident | 82.1 | Confident | 44 Ų | 44 | 41.8 Ų | 41.8 | 45% | 0.454 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -3.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G105 V107 | G105-G109 PolarHBondContact O-N 3.23Å; V107-G109 VanDerWaalsContact C-N 3.31Å; V107-G109 PolarHBondContact O-N 3.43Å |
| 110 | G | 72.1 | Confident | 82.1 | Confident | 7 Ų | 7 | 37.6 Ų | 37.6 | 7% | 0.072 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -71.9 | 158.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | P53 Q54 V107 C108 | P53-G110 VanDerWaalsContact CG-O 3.26Å; P53-G110 WeakPolarHBondContact CG-O 3.46Å; Q54-G110 PolarHBondContact NE2-O 3.12Å; V107-G110 PolarHBondContact O-N 2.65Å; C108-G110 VanDerWaalsContact C-N 3.29Å |
| 111 | N | 68.1 | Low | 82.1 | Confident | 121 Ų | 121 | 35.6 Ų | 35.6 | 65% | 0.647 | 23% | 0.233 | S | C | * | . | P | Polyproline II helix | trans | -99.4 | 163.7 | 176.6 | -68.4 | -58.2 | 0 | 0 | 0 | 111.3 | D114 | N111-D114 PolarHBondContact N-OD2 2.95Š|
| 112 | V | 62.7 | Low | 82 | Confident | 89 Ų | 89 | 32.1 Ų | 32.1 | 54% | 0.539 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | 137.8 | 169.5 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | S50 | S50-V112 WeakPolarHBondContact O-CG1 3.42Š|
| 113 | G | 62 | Low | 82 | Confident | 53 Ų | 53 | 27.9 Ų | 27.9 | 55% | 0.546 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 100.6 | -13.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | G49 | G49-G113 WeakPolarHBondContact O-CA 3.42Å; G49-G113 PolarHBondContact O-N 3.32Å |
| 114 | D | 67.6 | Low | 82 | Confident | 60 Ų | 60 | 28.1 Ų | 28.1 | 32% | 0.321 | 19% | 0.192 | S | C | . | . | trans | -77.9 | 125.7 | -178.1 | -66.6 | -24.4 | 0 | 0 | 0 | 110.7 | N111 F116 P117 | N111-D114 PolarHBondContact N-OD2 2.95Å; D114-F116 PolarHBondContact O-N 3.05Å; D114-P117 HydrophobicContact CB-CG 4.23Å; D114-P117 WeakPolarHBondContact O-CD 3.33Å | ||
| 115 | S | 75.5 | Confident | 81.8 | Confident | 58 Ų | 58 | 28.9 Ų | 28.9 | 41% | 0.406 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -70.6 | -19.1 | 168.9 | 54.6 | 0 | 0 | 0 | 0 | 112.2 | L118 C119 | S115-L118 PolarHBondContact O-N 3.09Å; S115-C119 PolarHBondContact O-N 3.44Å |
| 116 | F | 83.3 | Confident | 81.2 | Confident | 9 Ų | 9 | 27.9 Ų | 27.9 | 4% | 0.039 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.7 | -48.8 | -174.7 | 176.4 | -109 | 0 | 0 | 0 | 113.7 | I106 D114 L118 C119 L120 C139 Y140 A143 R145 | I106-F116 HydrophobicContact CG2-CE1 3.43Å; I106-F116 VanDerWaalsContact CG2-CE1 3.43Å; I106-F116 HydrophobicContact CG2-CZ 3.94Å; D114-F116 PolarHBondContact O-N 3.05Å; F116-L118 VanDerWaalsContact C-N 3.29Å; F116-L118 PolarHBondContact O-N 3.47Å; F116-C119 WeakPolarHBondContact O-CB 3.33Å; F116-C119 PolarHBondContact O-N 3.07Å; F116-L120 HydrophobicContact CD1-CD1 4.27Å; F116-L120 HydrophobicContact CE1-CD1 3.7Å; F116-L120 HydrophobicContact CE2-CD1 4.12Å; F116-L120 HydrophobicContact CE2-CG 4.27Å; F116-L120 HydrophobicContact CZ-CD1 3.62Å; F116-L120 HydrophobicContact CZ-CG 4.26Å; F116-L120 PolarHBondContact O-N 3.36Å; F116-C139 HydrophobicContact CD2-CB 4.02Å; F116-C139 VanDerWaalsContact CD2-O 3.29Å; F116-C139 WeakPolarHBondContact CD2-O 3.2Å; F116-C139 HydrophobicContact CE2-CB 3.94Å; F116-Y140 HydrophobicContact CE2-CD1 4.35Å; F116-Y140 HydrophobicContact CE2-CD2 4.06Å; F116-Y140 HydrophobicContact CE2-CE2 4.26Å; F116-Y140 HydrophobicContact CE2-CG 4.09Å; F116-Y140 HydrophobicContact CZ-CD1 4.21Å; F116-Y140 HydrophobicContact CZ-CD2 4.2Å; F116-Y140 AromaticContact CZ-CE1 3.98Å; F116-Y140 HydrophobicContact CZ-CE1 3.98Å; F116-Y140 AromaticContact CZ-CE2 3.96Å; F116-Y140 HydrophobicContact CZ-CE2 3.96Å; F116-Y140 HydrophobicContact CZ-CG 4.31Å; F116-Y140 AromaticContact CZ-CZ 3.85Å; F116-A143 HydrophobicContact CB-CB 4.04Å; F116-A143 HydrophobicContact CD2-CB 3.55Å; F116-A143 HydrophobicContact CE2-CB 4.18Å; F116-A143 HydrophobicContact CG-CB 3.91Å; F116-R145 VanDerWaalsContact CE1-NH1 3.25Å |
| 117 | P | 84.4 | Confident | 79.6 | Confident | 9 Ų | 9 | 32.8 Ų | 32.8 | 6% | 0.058 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.5 | -36.4 | 172.1 | -26.7 | 35.2 | 0 | 0 | 0 | 114.2 | P53 V107 D114 L120 Y121 | P53-P117 HydrophobicContact CB-CB 4.44Å; V107-P117 HydrophobicContact CB-CB 4.24Å; V107-P117 HydrophobicContact CG1-CB 4.27Å; D114-P117 HydrophobicContact CB-CG 4.23Å; D114-P117 WeakPolarHBondContact O-CD 3.33Å; P117-L120 PolarHBondContact O-N 2.93Å; P117-Y121 WeakPolarHBondContact O-CB 3.45Å; P117-Y121 PolarHBondContact O-N 2.91Å |
| 118 | L | 86.7 | Confident | 77.7 | Confident | 16 Ų | 16 | 36.6 Ų | 36.6 | 8% | 0.084 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.6 | -38.6 | 177.7 | -60.5 | -176.8 | 0 | 0 | 0 | 111.6 | T24 C47 F56 S115 F116 Y121 N122 | T24-L118 HydrophobicContact CG2-CB 3.84Å; C47-L118 WeakPolarHBondContact O-CD1 3.48Å; F56-L118 HydrophobicContact CD2-CD2 4.38Å; F56-L118 HydrophobicContact CE2-CD2 4.17Å; F56-L118 HydrophobicContact CZ-CD2 4.47Å; S115-L118 PolarHBondContact O-N 3.09Å; F116-L118 VanDerWaalsContact C-N 3.29Å; F116-L118 PolarHBondContact O-N 3.47Å; L118-Y121 WeakPolarHBondContact O-CB 3.33Å; L118-Y121 PolarHBondContact O-N 3.37Å; L118-N122 VanDerWaalsContact O-CG 3.29Å; L118-N122 PolarHBondContact O-N 3.07Å; L118-N122 PolarHBondContact O-OD1 3.03Å |
| 119 | C | 87.7 | Confident | 75.9 | Confident | 12 Ų | 12 | 41.6 Ų | 41.6 | 8% | 0.081 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.5 | -48.6 | 173.7 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | T24 S115 F116 Y121 N122 C123 C139 M142 | T24-C119 HydrophobicContact CG2-CB 4.28Å; S115-C119 PolarHBondContact O-N 3.44Å; F116-C119 WeakPolarHBondContact O-CB 3.33Å; F116-C119 PolarHBondContact O-N 3.07Å; C119-Y121 VanDerWaalsContact C-N 3.29Å; C119-Y121 PolarHBondContact O-N 2.96Å; C119-N122 WeakPolarHBondContact O-CB 3.22Å; C119-N122 PolarHBondContact O-N 2.8Å; C119-N122 VanDerWaalsContact O-N 3.12Å; C119-C123 PolarHBondContact O-N 3.34Å; C119-C123 PolarHBondContact O-SG 2.83Å; C119-C139 HydrophobicContact CB-CB 3.81Å; C119-C139 WeakPolarHBondContact CB-SG 3.43Å; C119-C139 WeakPolarHBondContact SG-CA 3.48Å; C119-C139 WeakPolarHBondContact SG-CB 3.44Å; C119-C139 CovalentContact SG-SG 2.03Å; C119-C139 PolarHBondContact SG-SG 3.33Å; C119-M142 HydrophobicContact CB-CE 4.11Å; C119-M142 WeakPolarHBondContact SG-CE 3.2Å |
| 120 | L | 88.9 | Confident | 74.9 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.8 | -38.5 | 177.6 | -70.9 | 178.1 | 0 | 0 | 0 | 112.2 | L103 I106 V107 F116 P117 C123 D124 K136 C139 | L103-L120 HydrophobicContact CD1-CB 4.18Å; L103-L120 HydrophobicContact CD2-CD1 4.28Å; L103-L120 HydrophobicContact CD2-CD2 4Å; I106-L120 HydrophobicContact CG2-CD1 3.79Å; V107-L120 HydrophobicContact CG1-CB 4.05Å; V107-L120 HydrophobicContact CG1-CD1 3.76Å; F116-L120 HydrophobicContact CD1-CD1 4.27Å; F116-L120 HydrophobicContact CE1-CD1 3.7Å; F116-L120 HydrophobicContact CE2-CD1 4.12Å; F116-L120 HydrophobicContact CE2-CG 4.27Å; F116-L120 HydrophobicContact CZ-CD1 3.62Å; F116-L120 HydrophobicContact CZ-CG 4.26Å; F116-L120 PolarHBondContact O-N 3.36Å; P117-L120 PolarHBondContact O-N 2.93Å; L120-C123 PolarHBondContact O-N 3.18Å; L120-D124 PolarHBondContact O-N 2.92Å; L120-K136 HydrophobicContact CD2-CB 4.46Å; L120-K136 HydrophobicContact CD2-CG 3.99Å; L120-C139 HydrophobicContact CD2-CB 3.95Å; L120-C139 HydrophobicContact CG-CB 4.31Å |
| 121 | Y | 89.4 | Confident | 75.4 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.008 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.8 | -47.1 | 172 | 171.3 | -104.3 | 0 | 0 | 0 | 111.8 | C28 H31 C32 F56 L60 P117 L118 C119 C123 D124 Q125 | C28-Y121 HydrophobicContact CB-CD1 4.33Å; C28-Y121 HydrophobicContact CB-CE1 4.49Å; H31-Y121 HydrophobicContact CB-CE1 3.88Å; C32-Y121 WeakPolarHBondContact CA-OH 3.47Å; C32-Y121 HydrophobicContact CB-CE1 4.44Å; C32-Y121 PolarHBondContact N-OH 3.35Å; C32-Y121 VanDerWaalsContact N-OH 3.15Å; F56-Y121 HydrophobicContact CE1-CD1 4.23Å; F56-Y121 AromaticContact CE1-CD2 3.74Å; F56-Y121 HydrophobicContact CE1-CD2 3.74Å; F56-Y121 HydrophobicContact CE1-CE1 4.47Å; F56-Y121 HydrophobicContact CE1-CE2 4.03Å; F56-Y121 AromaticContact CE1-CG 3.84Å; F56-Y121 HydrophobicContact CE1-CG 3.84Å; F56-Y121 AromaticContact CZ-CD1 3.8Å; F56-Y121 HydrophobicContact CZ-CD1 3.8Å; F56-Y121 HydrophobicContact CZ-CD2 4.07Å; F56-Y121 AromaticContact CZ-CE1 3.83Å; F56-Y121 HydrophobicContact CZ-CE1 3.83Å; F56-Y121 HydrophobicContact CZ-CE2 4.12Å; F56-Y121 AromaticContact CZ-CG 3.91Å; F56-Y121 HydrophobicContact CZ-CG 3.91Å; F56-Y121 AromaticContact CZ-CZ 4Å; L60-Y121 HydrophobicContact CD1-CD2 4.16Å; L60-Y121 HydrophobicContact CD1-CE2 3.53Å; P117-Y121 WeakPolarHBondContact O-CB 3.45Å; P117-Y121 PolarHBondContact O-N 2.91Å; L118-Y121 WeakPolarHBondContact O-CB 3.33Å; L118-Y121 PolarHBondContact O-N 3.37Å; C119-Y121 VanDerWaalsContact C-N 3.29Å; C119-Y121 PolarHBondContact O-N 2.96Å; Y121-C123 VanDerWaalsContact C-N 3.32Å; Y121-C123 PolarHBondContact O-N 3.24Å; Y121-D124 PolarHBondContact O-N 2.92Å; Y121-Q125 HydrophobicContact CD2-CG 3.86Å; Y121-Q125 HydrophobicContact CE1-CG 4.12Å; Y121-Q125 HydrophobicContact CE2-CG 3.38Å; Y121-Q125 HydrophobicContact CG-CG 4.39Å; Y121-Q125 VanDerWaalsContact O-CG 3.29Å; Y121-Q125 WeakPolarHBondContact O-CG 3.49Å; Y121-Q125 PolarHBondContact O-N 2.04Å |
| 122 | N | 88.8 | Confident | 76.2 | Confident | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.037 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.1 | -40.4 | 176.8 | -67.7 | -13.1 | 0 | 0 | 0 | 112 | T24 E27 C28 L118 C119 D124 Q125 G126 | T24-N122 PolarHBondContact O-ND2 2.73Å; E27-N122 HydrophobicContact CG-CB 4.12Å; C28-N122 WeakPolarHBondContact CA-OD1 3.36Å; C28-N122 WeakPolarHBondContact CB-OD1 3.33Å; C28-N122 PolarHBondContact N-OD1 3.48Å; C28-N122 VanDerWaalsContact N-OD1 3.09Å; L118-N122 VanDerWaalsContact O-CG 3.29Å; L118-N122 PolarHBondContact O-N 3.07Å; L118-N122 PolarHBondContact O-OD1 3.03Å; C119-N122 WeakPolarHBondContact O-CB 3.22Å; C119-N122 PolarHBondContact O-N 2.8Å; C119-N122 VanDerWaalsContact O-N 3.12Å; N122-D124 VanDerWaalsContact C-N 3.33Å; N122-D124 PolarHBondContact O-N 3.42Å; N122-Q125 PolarHBondContact O-N 3.3Å; N122-G126 VanDerWaalsContact O-CA 3.28Å; N122-G126 WeakPolarHBondContact O-CA 3.22Å; N122-G126 PolarHBondContact O-N 2.83Å |
| 123 | C | 88.5 | Confident | 77.4 | Confident | 11 Ų | 11 | 42.3 Ų | 42.3 | 7% | 0.074 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60 | -44.3 | 175.7 | -64 | 0 | 0 | 0 | 0 | 112.2 | C119 L120 Y121 F132 C135 C139 | C119-C123 PolarHBondContact O-N 3.34Å; C119-C123 PolarHBondContact O-SG 2.83Å; L120-C123 PolarHBondContact O-N 3.18Å; Y121-C123 VanDerWaalsContact C-N 3.32Å; Y121-C123 PolarHBondContact O-N 3.24Å; C123-F132 HydrophobicContact CB-CD2 4.04Å; C123-F132 HydrophobicContact CB-CE2 4.11Å; C123-C135 WeakPolarHBondContact CA-SG 3.35Å; C123-C135 HydrophobicContact CB-CB 3.7Å; C123-C135 WeakPolarHBondContact CB-SG 3.39Å; C123-C135 WeakPolarHBondContact SG-CB 3.05Å; C123-C135 PolarHBondContact SG-O 2.83Å; C123-C135 CovalentContact SG-SG 2.03Å; C123-C135 PolarHBondContact SG-SG 2.97Å; C123-C139 PolarHBondContact SG-SG 3.48Å |
| 124 | D | 88.9 | Confident | 78.5 | Confident | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.4 | -37 | -179.9 | 176 | 54.6 | 0 | 0 | 0 | 112.7 | T98 T99 H100 L103 L120 Y121 N122 F132 | T98-D124 WeakPolarHBondContact CA-OD2 3.48Å; T98-D124 VanDerWaalsContact CB-OD2 3.26Å; T98-D124 WeakPolarHBondContact CB-OD2 3.34Å; T98-D124 PolarHBondContact OG1-OD1 3.27Å; T98-D124 PolarHBondContact OG1-OD2 3.27Å; T99-D124 PolarHBondContact N-OD1 3.32Å; T99-D124 PolarHBondContact OG1-OD1 3.08Å; H100-D124 IonicContact CE1-OD1 3.96Å; H100-D124 IonicContact CG-OD1 2.84Å; H100-D124 PolarHBondContact N-OD1 2.03Å; H100-D124 IonicContact ND1-OD1 3.62Å; H100-D124 PolarHBondContact ND1-OD1 2.99Å; L103-D124 HydrophobicContact CD1-CB 4.3Å; L120-D124 PolarHBondContact O-N 2.92Å; Y121-D124 PolarHBondContact O-N 2.92Å; N122-D124 VanDerWaalsContact C-N 3.33Å; N122-D124 PolarHBondContact O-N 3.42Å; D124-F132 HydrophobicContact CB-CE2 4.3Å |
| 125 | Q | 87.1 | Confident | 79.4 | Confident | 23 Ų | 23 | 43.8 Ų | 43.8 | 11% | 0.107 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -85.9 | -18.4 | 179.1 | -57.6 | -62.3 | -62.5 | 0 | 0 | 113.5 | H31 H35 V97 Y121 N122 N127 | H31-Q125 HydrophobicContact CB-CB 3.68Å; H31-Q125 HydrophobicContact CB-CG 4.09Å; H31-Q125 PolarHBondContact ND1-O 3.4Å; H35-Q125 PolarHBondContact CD2-OE1 3.45Å; V97-Q125 PolarHBondContact O-NE2 2.97Å; Y121-Q125 HydrophobicContact CD2-CG 3.86Å; Y121-Q125 HydrophobicContact CE1-CG 4.12Å; Y121-Q125 HydrophobicContact CE2-CG 3.38Å; Y121-Q125 HydrophobicContact CG-CG 4.39Å; Y121-Q125 VanDerWaalsContact O-CG 3.29Å; Y121-Q125 WeakPolarHBondContact O-CG 3.49Å; Y121-Q125 PolarHBondContact O-N 2.04Å; N122-Q125 PolarHBondContact O-N 3.3Å; Q125-N127 PolarHBondContact O-N 3.44Å |
| 126 | G | 75.3 | Confident | 80 | Confident | 14 Ų | 14 | 43.1 Ų | 43.1 | 14% | 0.144 | 27% | 0.272 | C | S | . | . | trans | -74.1 | 38.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | N122 G128 S129 | N122-G126 VanDerWaalsContact O-CA 3.28Å; N122-G126 WeakPolarHBondContact O-CA 3.22Å; N122-G126 PolarHBondContact O-N 2.83Å; G126-G128 PolarHBondContact O-N 3.31Å; G126-S129 PolarHBondContact O-N 3Å | ||
| 127 | N | 54.5 | Low | 80.1 | Confident | 149 Ų | 149 | 46.3 Ų | 46.3 | 80% | 0.797 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 44.2 | -168.2 | -135.5 | -5.3 | 0 | 0 | 0 | 116 | Q125 | Q125-N127 PolarHBondContact O-N 3.44Š|
| 128 | G | 49.4 | Very low | 80.1 | Confident | 80 Ų | 80 | 50.9 Ų | 50.9 | 83% | 0.825 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 178.1 | 3.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | G126 | G126-G128 PolarHBondContact O-N 3.31Š|
| 129 | S | 51.8 | Low | 80.1 | Confident | 105 Ų | 105 | 50.1 Ų | 50.1 | 73% | 0.734 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -114.7 | -7.6 | -178.5 | 60.4 | 0 | 0 | 0 | 0 | 116.3 | G126 | G126-S129 PolarHBondContact O-N 3Š|
| 130 | G | 60.3 | Low | 79.9 | Confident | 58 Ų | 58 | 52.5 Ų | 52.5 | 60% | 0.598 | 32% | 0.315 | S | S | * | . | S | Bend | trans | 173.4 | 177.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | F132 | G130-F132 PolarHBondContact O-N 3.38Š|
| 131 | N | 82.2 | Confident | 79.6 | Confident | 97 Ų | 97 | 59 Ų | 59 | 52% | 0.519 | 35% | 0.345 | S | S | . | . | trans | -67.4 | 126.1 | 171.7 | -175.8 | -2.9 | 0 | 0 | 0 | 109.1 | D133 E134 C135 | N131-D133 PolarHBondContact O-N 3Å; N131-D133 PolarHBondContact OD1-N 3.06Å; N131-E134 HydrophobicContact CB-CB 4.17Å; N131-E134 WeakPolarHBondContact O-CB 3.35Å; N131-E134 PolarHBondContact O-N 2.93Å; N131-C135 PolarHBondContact O-N 3.09Å; N131-C135 VanDerWaalsContact O-N 3.08Å | ||
| 132 | F | 86.4 | Confident | 79 | Confident | 26 Ų | 26 | 63.3 Ų | 63.3 | 11% | 0.114 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -51.3 | -41.2 | 177.7 | 170 | -98.8 | 0 | 0 | 0 | 111.9 | H100 E102 L103 C123 D124 G130 E134 C135 K136 | H100-F132 HydrophobicContact CB-CE1 4.06Å; H100-F132 HydrophobicContact CB-CE2 3.92Å; H100-F132 HydrophobicContact CB-CZ 3.48Å; H100-F132 VanDerWaalsContact CB-CZ 3.48Å; H100-F132 AromaticContact CD2-CD1 3.4Å; H100-F132 WeakPolarHBondContact CD2-CD1 3.09Å; H100-F132 AromaticContact CD2-CD2 3.93Å; H100-F132 AromaticContact CD2-CE1 3.27Å; H100-F132 WeakPolarHBondContact CD2-CE1 2.98Å; H100-F132 AromaticContact CD2-CE2 3.83Å; H100-F132 AromaticContact CD2-CG 3.7Å; H100-F132 AromaticContact CD2-CZ 3.49Å; H100-F132 VanDerWaalsContact CD2-CZ 3.49Å; H100-F132 WeakPolarHBondContact CD2-CZ 3.29Å; H100-F132 AromaticContact CE1-CD2 3.53Å; H100-F132 AromaticContact CE1-CE2 3.89Å; H100-F132 AromaticContact CE1-CG 3.68Å; H100-F132 AromaticContact CG-CD2 3.89Å; H100-F132 AromaticContact CG-CE1 3.64Å; H100-F132 AromaticContact CG-CE2 3.47Å; H100-F132 VanDerWaalsContact CG-CE2 3.47Å; H100-F132 AromaticContact CG-CZ 3.31Å; H100-F132 AromaticContact ND1-CD2 3.64Å; H100-F132 AromaticContact ND1-CE2 3.5Å; H100-F132 AromaticContact ND1-CZ 3.87Å; H100-F132 AromaticContact NE2-CD1 3.5Å; H100-F132 AromaticContact NE2-CD2 3.71Å; H100-F132 AromaticContact NE2-CE1 3.89Å; H100-F132 AromaticContact NE2-CG 3.38Å; H100-F132 WeakPolarHBondContact NE2-CG 3.04Å; E102-F132 WeakPolarHBondContact OE1-CE1 3.33Å; L103-F132 HydrophobicContact CD1-CE2 3.68Å; L103-F132 HydrophobicContact CD1-CZ 3.48Å; L103-F132 VanDerWaalsContact CD1-CZ 3.48Å; L103-F132 HydrophobicContact CD2-CZ 3.9Å; L103-F132 HydrophobicContact CG-CE2 4.46Å; L103-F132 HydrophobicContact CG-CZ 3.76Å; C123-F132 HydrophobicContact CB-CD2 4.04Å; C123-F132 HydrophobicContact CB-CE2 4.11Å; D124-F132 HydrophobicContact CB-CE2 4.3Å; G130-F132 PolarHBondContact O-N 3.38Å; F132-E134 VanDerWaalsContact C-N 3.31Å; F132-E134 PolarHBondContact O-N 3.1Å; F132-C135 PolarHBondContact O-N 3.01Å; F132-K136 HydrophobicContact CE1-CD 3.97Å; F132-K136 HydrophobicContact CZ-CD 4.32Å; F132-K136 VanDerWaalsContact O-CB 3.29Å; F132-K136 WeakPolarHBondContact O-CB 3.44Å; F132-K136 PolarHBondContact O-N 3.47Å |
| 133 | D | 86.6 | Confident | 78.5 | Confident | 96 Ų | 96 | 64.9 Ų | 64.9 | 51% | 0.513 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.2 | -39.6 | 178.2 | -72.1 | -36.2 | 0 | 0 | 0 | 112.2 | N131 K136 T137 | N131-D133 PolarHBondContact O-N 3Å; N131-D133 PolarHBondContact OD1-N 3.06Å; D133-K136 PolarHBondContact O-N 3.43Å; D133-T137 PolarHBondContact O-N 3.14Å; D133-T137 PolarHBondContact O-OG1 3.33Å; D133-T137 VanDerWaalsContact O-OG1 3.08Å |
| 134 | E | 86 | Confident | 77.9 | Confident | 102 Ų | 102 | 67.8 Ų | 67.8 | 48% | 0.477 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.8 | -42.3 | 177.8 | -169.3 | -167.2 | 148.2 | 0 | 0 | 111.1 | N131 F132 T137 K138 | N131-E134 HydrophobicContact CB-CB 4.17Å; N131-E134 WeakPolarHBondContact O-CB 3.35Å; N131-E134 PolarHBondContact O-N 2.93Å; F132-E134 VanDerWaalsContact C-N 3.31Å; F132-E134 PolarHBondContact O-N 3.1Å; E134-T137 PolarHBondContact O-N 3.37Å; E134-K138 WeakPolarHBondContact O-CG 3.45Å; E134-K138 PolarHBondContact O-N 3.42Å; E134-K138 VanDerWaalsContact O-N 3.11Å; E134-K138 WeakPolarHBondContact OE1-CE 3.03Å; E134-K138 IonicContact OE1-NZ 3.94Å; E134-K138 PolarHBondContact OE1-NZ 3.09Å |
| 135 | C | 86.9 | Confident | 76.7 | Confident | 42 Ų | 42 | 76.1 Ų | 76.1 | 28% | 0.284 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 175.6 | -172.2 | 0 | 0 | 0 | 0 | 111 | C123 N131 F132 T137 K138 C139 | C123-C135 WeakPolarHBondContact CA-SG 3.35Å; C123-C135 HydrophobicContact CB-CB 3.7Å; C123-C135 WeakPolarHBondContact CB-SG 3.39Å; C123-C135 WeakPolarHBondContact SG-CB 3.05Å; C123-C135 PolarHBondContact SG-O 2.83Å; C123-C135 CovalentContact SG-SG 2.03Å; C123-C135 PolarHBondContact SG-SG 2.97Å; N131-C135 PolarHBondContact O-N 3.09Å; N131-C135 VanDerWaalsContact O-N 3.08Å; F132-C135 PolarHBondContact O-N 3.01Å; C135-T137 PolarHBondContact O-N 3.35Å; C135-K138 WeakPolarHBondContact O-CB 3.15Å; C135-K138 PolarHBondContact O-N 3.15Å; C135-C139 PolarHBondContact O-N 3.28Å; C135-C139 PolarHBondContact O-SG 2.95Å; C135-C139 VanDerWaalsContact O-SG 3.36Å |
| 136 | K | 87.2 | Confident | 76.1 | Confident | 43 Ų | 43 | 78.8 Ų | 78.8 | 19% | 0.187 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -56.5 | -50.5 | 175.3 | -178.9 | 177.7 | 177.8 | 178.4 | 0 | 110.6 | L103 L120 F132 D133 K138 C139 Y140 | L103-K136 HydrophobicContact CD2-CD 4.19Å; L120-K136 HydrophobicContact CD2-CB 4.46Å; L120-K136 HydrophobicContact CD2-CG 3.99Å; F132-K136 HydrophobicContact CE1-CD 3.97Å; F132-K136 HydrophobicContact CZ-CD 4.32Å; F132-K136 VanDerWaalsContact O-CB 3.29Å; F132-K136 WeakPolarHBondContact O-CB 3.44Å; F132-K136 PolarHBondContact O-N 3.47Å; D133-K136 PolarHBondContact O-N 3.43Å; K136-K138 VanDerWaalsContact C-N 3.3Å; K136-K138 PolarHBondContact O-N 3.42Å; K136-C139 WeakPolarHBondContact O-CA 3.26Å; K136-C139 WeakPolarHBondContact O-CB 3.49Å; K136-C139 PolarHBondContact O-N 3.49Å; K136-Y140 HydrophobicContact CD-CE2 4.43Å; K136-Y140 HydrophobicContact CG-CD2 4.01Å; K136-Y140 HydrophobicContact CG-CE2 3.73Å; K136-Y140 VanDerWaalsContact O-CD2 3.29Å; K136-Y140 WeakPolarHBondContact O-CD2 3.22Å; K136-Y140 PolarHBondContact O-N 3.36Å; K136-Y140 VanDerWaalsContact O-N 3.11Å |
| 137 | T | 86 | Confident | 76.2 | Confident | 77 Ų | 77 | 82.2 Ų | 82.2 | 47% | 0.472 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -53.6 | -45.5 | 176.6 | -65.4 | 0 | 0 | 0 | 0 | 112 | D133 E134 C135 C139 Y140 E141 | D133-T137 PolarHBondContact O-N 3.14Å; D133-T137 PolarHBondContact O-OG1 3.33Å; D133-T137 VanDerWaalsContact O-OG1 3.08Å; E134-T137 PolarHBondContact O-N 3.37Å; C135-T137 PolarHBondContact O-N 3.35Å; T137-C139 VanDerWaalsContact C-N 3.32Å; T137-C139 PolarHBondContact O-N 3.12Å; T137-Y140 WeakPolarHBondContact O-CB 3.39Å; T137-Y140 PolarHBondContact O-N 3Å; T137-Y140 VanDerWaalsContact O-N 3.1Å; T137-E141 HydrophobicContact CG2-CG 4.49Å; T137-E141 WeakPolarHBondContact O-CG 3.48Å; T137-E141 PolarHBondContact O-N 3Å |
| 138 | K | 84.5 | Confident | 77.4 | Confident | 104 Ų | 104 | 78.4 Ų | 78.4 | 45% | 0.452 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.1 | -40 | 176.1 | -69.4 | 171.9 | -173.7 | 165.2 | 0 | 112.2 | E134 C135 K136 Y140 E141 M142 | E134-K138 WeakPolarHBondContact O-CG 3.45Å; E134-K138 PolarHBondContact O-N 3.42Å; E134-K138 VanDerWaalsContact O-N 3.11Å; E134-K138 WeakPolarHBondContact OE1-CE 3.03Å; E134-K138 IonicContact OE1-NZ 3.94Å; E134-K138 PolarHBondContact OE1-NZ 3.09Å; C135-K138 WeakPolarHBondContact O-CB 3.15Å; C135-K138 PolarHBondContact O-N 3.15Å; K136-K138 VanDerWaalsContact C-N 3.3Å; K136-K138 PolarHBondContact O-N 3.42Å; K138-Y140 VanDerWaalsContact C-N 3.32Å; K138-Y140 PolarHBondContact O-N 3.26Å; K138-E141 PolarHBondContact O-N 2.97Å; K138-M142 VanDerWaalsContact O-CG 3.27Å; K138-M142 WeakPolarHBondContact O-CG 3.11Å; K138-M142 PolarHBondContact O-N 3.39Å |
| 139 | C | 85.6 | Confident | 79 | Confident | 1 Ų | 1 | 78.4 Ų | 78.4 | 1% | 0.007 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -59.6 | -42.1 | 174.5 | -58.4 | 0 | 0 | 0 | 0 | 112.4 | F116 C119 L120 C123 C135 K136 T137 M142 A143 | F116-C139 HydrophobicContact CD2-CB 4.02Å; F116-C139 VanDerWaalsContact CD2-O 3.29Å; F116-C139 WeakPolarHBondContact CD2-O 3.2Å; F116-C139 HydrophobicContact CE2-CB 3.94Å; C119-C139 HydrophobicContact CB-CB 3.81Å; C119-C139 WeakPolarHBondContact CB-SG 3.43Å; C119-C139 WeakPolarHBondContact SG-CA 3.48Å; C119-C139 WeakPolarHBondContact SG-CB 3.44Å; C119-C139 CovalentContact SG-SG 2.03Å; C119-C139 PolarHBondContact SG-SG 3.33Å; L120-C139 HydrophobicContact CD2-CB 3.95Å; L120-C139 HydrophobicContact CG-CB 4.31Å; C123-C139 PolarHBondContact SG-SG 3.48Å; C135-C139 PolarHBondContact O-N 3.28Å; C135-C139 PolarHBondContact O-SG 2.95Å; C135-C139 VanDerWaalsContact O-SG 3.36Å; K136-C139 WeakPolarHBondContact O-CA 3.26Å; K136-C139 WeakPolarHBondContact O-CB 3.49Å; K136-C139 PolarHBondContact O-N 3.49Å; T137-C139 VanDerWaalsContact C-N 3.32Å; T137-C139 PolarHBondContact O-N 3.12Å; C139-M142 HydrophobicContact CB-CE 4.44Å; C139-M142 PolarHBondContact O-N 3.4Å; C139-A143 WeakPolarHBondContact O-CB 3.5Å; C139-A143 PolarHBondContact O-N 2.97Å; C139-A143 VanDerWaalsContact O-N 3.1Å |
| 140 | Y | 84.9 | Confident | 80.7 | Confident | 62 Ų | 62 | 76.7 Ų | 76.7 | 24% | 0.243 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 177.5 | -83.6 | -94.1 | 0 | 0 | 0 | 111.6 | I106 F116 K136 T137 K138 M142 A143 G144 R145 | I106-Y140 WeakPolarHBondContact CD1-OH 3.31Å; F116-Y140 HydrophobicContact CE2-CD1 4.35Å; F116-Y140 HydrophobicContact CE2-CD2 4.06Å; F116-Y140 HydrophobicContact CE2-CE2 4.26Å; F116-Y140 HydrophobicContact CE2-CG 4.09Å; F116-Y140 HydrophobicContact CZ-CD1 4.21Å; F116-Y140 HydrophobicContact CZ-CD2 4.2Å; F116-Y140 AromaticContact CZ-CE1 3.98Å; F116-Y140 HydrophobicContact CZ-CE1 3.98Å; F116-Y140 AromaticContact CZ-CE2 3.96Å; F116-Y140 HydrophobicContact CZ-CE2 3.96Å; F116-Y140 HydrophobicContact CZ-CG 4.31Å; F116-Y140 AromaticContact CZ-CZ 3.85Å; K136-Y140 HydrophobicContact CD-CE2 4.43Å; K136-Y140 HydrophobicContact CG-CD2 4.01Å; K136-Y140 HydrophobicContact CG-CE2 3.73Å; K136-Y140 VanDerWaalsContact O-CD2 3.29Å; K136-Y140 WeakPolarHBondContact O-CD2 3.22Å; K136-Y140 PolarHBondContact O-N 3.36Å; K136-Y140 VanDerWaalsContact O-N 3.11Å; T137-Y140 WeakPolarHBondContact O-CB 3.39Å; T137-Y140 PolarHBondContact O-N 3Å; T137-Y140 VanDerWaalsContact O-N 3.1Å; K138-Y140 VanDerWaalsContact C-N 3.32Å; K138-Y140 PolarHBondContact O-N 3.26Å; Y140-M142 VanDerWaalsContact C-N 3.32Å; Y140-M142 PolarHBondContact O-N 2.87Å; Y140-A143 CarbonylContact O-C 3.53Å; Y140-A143 PolarHBondContact O-N 2.96Å; Y140-G144 PolarHBondContact O-N 2.75Å; Y140-G144 VanDerWaalsContact O-N 3.09Å; Y140-R145 HydrophobicContact CD1-CB 3.61Å; Y140-R145 HydrophobicContact CE1-CB 4.39Å; Y140-R145 HydrophobicContact CG-CB 4.46Å; Y140-R145 PolarHBondContact O-N 3.06Å |
| 141 | E | 82.1 | Confident | 82.1 | Confident | 137 Ų | 137 | 77.9 Ų | 77.9 | 64% | 0.64 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -58.1 | -44 | 176.2 | -69.4 | 175.3 | 166.3 | 0 | 0 | 111.8 | T137 K138 A143 G144 | T137-E141 HydrophobicContact CG2-CG 4.49Å; T137-E141 WeakPolarHBondContact O-CG 3.48Å; T137-E141 PolarHBondContact O-N 3Å; K138-E141 PolarHBondContact O-N 2.97Å; E141-A143 VanDerWaalsContact C-N 3.27Å; E141-A143 PolarHBondContact O-N 3.38Å; E141-G144 PolarHBondContact O-N 3.03Å; E141-G144 VanDerWaalsContact O-N 3.1Å |
| 142 | M | 77.2 | Confident | 82.1 | Confident | 92 Ų | 92 | 76.6 Ų | 76.6 | 45% | 0.453 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.9 | -31.5 | 176.4 | -70.9 | -174.4 | -61.6 | 0 | 0 | 113.2 | T20 C119 K138 C139 Y140 G144 | T20-M142 HydrophobicContact CG2-CG 4.42Å; T20-M142 HydrophobicContact CG2-SD 3.22Å; T20-M142 WeakPolarHBondContact CG2-SD 3.36Å; C119-M142 HydrophobicContact CB-CE 4.11Å; C119-M142 WeakPolarHBondContact SG-CE 3.2Å; K138-M142 VanDerWaalsContact O-CG 3.27Å; K138-M142 WeakPolarHBondContact O-CG 3.11Å; K138-M142 PolarHBondContact O-N 3.39Å; C139-M142 HydrophobicContact CB-CE 4.44Å; C139-M142 PolarHBondContact O-N 3.4Å; Y140-M142 VanDerWaalsContact C-N 3.32Å; Y140-M142 PolarHBondContact O-N 2.87Å; M142-G144 VanDerWaalsContact C-N 3.3Å |
| 143 | A | 76.7 | Confident | 81.8 | Confident | 39 Ų | 39 | 80.5 Ų | 80.5 | 32% | 0.322 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -3.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | F116 C139 Y140 E141 R145 | F116-A143 HydrophobicContact CB-CB 4.04Å; F116-A143 HydrophobicContact CD2-CB 3.55Å; F116-A143 HydrophobicContact CE2-CB 4.18Å; F116-A143 HydrophobicContact CG-CB 3.91Å; C139-A143 WeakPolarHBondContact O-CB 3.5Å; C139-A143 PolarHBondContact O-N 2.97Å; C139-A143 VanDerWaalsContact O-N 3.1Å; Y140-A143 CarbonylContact O-C 3.53Å; Y140-A143 PolarHBondContact O-N 2.96Å; E141-A143 VanDerWaalsContact C-N 3.27Å; E141-A143 PolarHBondContact O-N 3.38Å; A143-R145 VanDerWaalsContact C-N 3.32Å; A143-R145 HydrophobicContact CB-CB 4.46Å; A143-R145 HydrophobicContact CB-CG 3.91Å |
| 144 | G | 75.6 | Confident | 81.4 | Confident | 73 Ų | 73 | 79.2 Ų | 79.2 | 75% | 0.753 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 35.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y140 E141 M142 | Y140-G144 PolarHBondContact O-N 2.75Å; Y140-G144 VanDerWaalsContact O-N 3.09Å; E141-G144 PolarHBondContact O-N 3.03Å; E141-G144 VanDerWaalsContact O-N 3.1Å; M142-G144 VanDerWaalsContact C-N 3.3Å |
| 145 | R | 63.8 | Low | 80.9 | Confident | 178 Ų | 178 | 77.1 Ų | 77.1 | 67% | 0.672 | 41% | 0.408 | S | S | * | . | trans | -112.8 | 0 | -176.6 | -66.2 | -176.8 | -179.5 | -165.3 | 1.4 | 112.6 | F116 Y140 A143 | F116-R145 VanDerWaalsContact CE1-NH1 3.25Å; Y140-R145 HydrophobicContact CD1-CB 3.61Å; Y140-R145 HydrophobicContact CE1-CB 4.39Å; Y140-R145 HydrophobicContact CG-CB 4.46Å; Y140-R145 PolarHBondContact O-N 3.06Å; A143-R145 VanDerWaalsContact C-N 3.32Å; A143-R145 HydrophobicContact CB-CB 4.46Å; A143-R145 HydrophobicContact CB-CG 3.91Å |
Retrieved 145 of 145 residues in 78.8 ms
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