| 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 | 57.3 | Low | 61.7 | Low | 210 Ų | 210 | 120.6 Ų | 120.6 | 100% | 1.034 | 61% | 0.607 | S | S | * | * | 0 | -14.1 | 0 | -106.4 | -164.5 | -96.5 | 0 | 0 | 114 | V3 R5 | M1-V3 PolarHBondContact O-N 2.87Å; M1-R5 PolarHBondContact O-N 3.26Å | |||
| 2 | E | 55 | Low | 62.4 | Low | 143 Ų | 143 | 114.9 Ų | 114.9 | 67% | 0.668 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -56.3 | -42 | 179.1 | -149.9 | 94.2 | -170.4 | 0 | 0 | 114.8 | R5 R6 | E2-R5 PolarHBondContact O-N 2.97Å; E2-R6 WeakPolarHBondContact O-CG 3.24Å; E2-R6 PolarHBondContact O-N 2.73Å |
| 3 | V | 56.5 | Low | 62.9 | Low | 112 Ų | 112 | 115.6 Ų | 115.6 | 68% | 0.679 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.4 | -42 | -171.9 | -158.7 | 0 | 0 | 0 | 0 | 111.3 | M1 R5 R6 S7 | M1-V3 PolarHBondContact O-N 2.87Å; V3-R5 VanDerWaalsContact C-N 3.32Å; V3-R5 PolarHBondContact O-N 2.87Å; V3-R6 PolarHBondContact O-N 3.42Å; V3-S7 PolarHBondContact O-N 3.08Å; V3-S7 PolarHBondContact O-OG 3.42Å; V3-S7 VanDerWaalsContact O-OG 3.05Å |
| 4 | L | 56.4 | Low | 63.3 | Low | 134 Ų | 134 | 112.2 Ų | 112.2 | 70% | 0.702 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.8 | -36.6 | 175 | -72 | 162.9 | 0 | 0 | 0 | 111.8 | S7 S8 | L4-S7 PolarHBondContact O-N 3.22Å; L4-S8 PolarHBondContact O-N 3.2Å; L4-S8 PolarHBondContact O-OG 2.98Å |
| 5 | R | 60.7 | Low | 63.5 | Low | 170 Ų | 170 | 112.8 Ų | 112.8 | 64% | 0.642 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70.6 | -36.5 | 177.6 | -148.8 | -169.3 | 87 | 82.1 | 0.4 | 112.5 | M1 E2 V3 S8 V9 | M1-R5 PolarHBondContact O-N 3.26Å; E2-R5 PolarHBondContact O-N 2.97Å; V3-R5 VanDerWaalsContact C-N 3.32Å; V3-R5 PolarHBondContact O-N 2.87Å; R5-S8 WeakPolarHBondContact CA-OG 3.41Å; R5-S8 PolarHBondContact O-OG 3.42Å; R5-V9 VanDerWaalsContact O-CG2 3.26Å; R5-V9 WeakPolarHBondContact O-CG2 3.47Å; R5-V9 PolarHBondContact O-N 3.34Å; R5-V9 VanDerWaalsContact O-N 3.14Å |
| 6 | R | 60 | Low | 63.7 | Low | 190 Ų | 190 | 110 Ų | 110 | 72% | 0.717 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69 | -40 | 173.9 | -70.9 | 176.3 | 79.5 | 169.6 | 4 | 111.3 | E2 V3 V9 F10 | E2-R6 WeakPolarHBondContact O-CG 3.24Å; E2-R6 PolarHBondContact O-N 2.73Å; V3-R6 PolarHBondContact O-N 3.42Å; R6-V9 PolarHBondContact O-N 2.99Å; R6-F10 WeakPolarHBondContact O-CB 3.27Å; R6-F10 PolarHBondContact O-N 3.48Å; R6-F10 VanDerWaalsContact O-N 3.09Å |
| 7 | S | 61.3 | Low | 63.5 | Low | 72 Ų | 72 | 106.8 Ų | 106.8 | 50% | 0.503 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.3 | -37.5 | 174.4 | -59.7 | 0 | 0 | 0 | 0 | 112.9 | V3 L4 A11 | V3-S7 PolarHBondContact O-N 3.08Å; V3-S7 PolarHBondContact O-OG 3.42Å; V3-S7 VanDerWaalsContact O-OG 3.05Å; L4-S7 PolarHBondContact O-N 3.22Å; S7-A11 WeakPolarHBondContact O-CB 3.4Å; S7-A11 PolarHBondContact O-N 2.74Å |
| 8 | S | 64 | Low | 63.3 | Low | 64 Ų | 64 | 109.4 Ų | 109.4 | 45% | 0.448 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -72.4 | -33.9 | 178.1 | 62.5 | 0 | 0 | 0 | 0 | 113.4 | L4 R5 A12 | L4-S8 PolarHBondContact O-N 3.2Å; L4-S8 PolarHBondContact O-OG 2.98Å; R5-S8 WeakPolarHBondContact CA-OG 3.41Å; R5-S8 PolarHBondContact O-OG 3.42Å; S8-A12 WeakPolarHBondContact O-CB 3.45Å; S8-A12 PolarHBondContact O-N 3.15Å |
| 9 | V | 69 | Low | 63.3 | Low | 59 Ų | 59 | 111.1 Ų | 111.1 | 36% | 0.358 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.7 | -44.7 | 174.8 | 170.8 | 0 | 0 | 0 | 0 | 110.4 | R5 R6 A11 A12 E13 | R5-V9 VanDerWaalsContact O-CG2 3.26Å; R5-V9 WeakPolarHBondContact O-CG2 3.47Å; R5-V9 PolarHBondContact O-N 3.34Å; R5-V9 VanDerWaalsContact O-N 3.14Å; R6-V9 PolarHBondContact O-N 2.99Å; V9-A11 VanDerWaalsContact C-N 3.35Å; V9-A11 PolarHBondContact O-N 3.1Å; V9-A12 PolarHBondContact O-N 3.24Å; V9-E13 WeakPolarHBondContact O-CG 3.28Å; V9-E13 PolarHBondContact O-N 3.16Å |
| 10 | F | 67.6 | Low | 63.5 | Low | 129 Ų | 129 | 114.7 Ų | 114.7 | 57% | 0.566 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.1 | -41.3 | 175.1 | -177 | -110.6 | 0 | 0 | 0 | 112.4 | R6 A12 E13 I14 | R6-F10 WeakPolarHBondContact O-CB 3.27Å; R6-F10 PolarHBondContact O-N 3.48Å; R6-F10 VanDerWaalsContact O-N 3.09Å; F10-A12 VanDerWaalsContact C-N 3.34Å; F10-A12 PolarHBondContact O-N 2.91Å; F10-E13 PolarHBondContact O-N 2.88Å; F10-I14 HydrophobicContact CD1-CD1 3.76Å; F10-I14 HydrophobicContact CE1-CD1 3.31Å; F10-I14 HydrophobicContact CE1-CG1 4.41Å; F10-I14 HydrophobicContact CE2-CD1 4.17Å; F10-I14 HydrophobicContact CG-CD1 4.37Å; F10-I14 HydrophobicContact CZ-CD1 3.55Å; F10-I14 HydrophobicContact CZ-CG1 4.36Å; F10-I14 WeakPolarHBondContact O-CG1 3.42Å; F10-I14 PolarHBondContact O-N 3.25Å |
| 11 | A | 70.4 | Confident | 64.3 | Low | 44 Ų | 44 | 112.1 Ų | 112.1 | 36% | 0.364 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.7 | -38.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S7 V9 I14 M15 | S7-A11 WeakPolarHBondContact O-CB 3.4Å; S7-A11 PolarHBondContact O-N 2.74Å; V9-A11 VanDerWaalsContact C-N 3.35Å; V9-A11 PolarHBondContact O-N 3.1Å; A11-I14 PolarHBondContact O-N 3.01Å; A11-M15 WeakPolarHBondContact O-CG 3.32Å; A11-M15 PolarHBondContact O-N 3.21Å |
| 12 | A | 70.8 | Confident | 65.6 | Low | 52 Ų | 52 | 105 Ų | 105 | 43% | 0.43 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.9 | -39.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S8 V9 F10 M15 D16 | S8-A12 WeakPolarHBondContact O-CB 3.45Å; S8-A12 PolarHBondContact O-N 3.15Å; V9-A12 PolarHBondContact O-N 3.24Å; F10-A12 VanDerWaalsContact C-N 3.34Å; F10-A12 PolarHBondContact O-N 2.91Å; A12-M15 PolarHBondContact O-N 3.26Å; A12-D16 WeakPolarHBondContact O-CB 3.48Å; A12-D16 PolarHBondContact O-N 2.88Å |
| 13 | E | 68.9 | Low | 67.3 | Low | 124 Ų | 124 | 101.8 Ų | 101.8 | 58% | 0.579 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.8 | -40 | 174.3 | -75 | 175 | 176.5 | 0 | 0 | 112.1 | V9 F10 A17 | V9-E13 WeakPolarHBondContact O-CG 3.28Å; V9-E13 PolarHBondContact O-N 3.16Å; F10-E13 PolarHBondContact O-N 2.88Å; E13-A17 VanDerWaalsContact O-CB 3.27Å; E13-A17 WeakPolarHBondContact O-CB 3.31Å; E13-A17 PolarHBondContact O-N 2.84Å |
| 14 | I | 67.8 | Low | 69.1 | Low | 68 Ų | 68 | 102.7 Ų | 102.7 | 35% | 0.349 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.4 | -47 | 174.4 | -73.1 | 174.6 | 0 | 0 | 0 | 110.4 | F10 A11 A17 F18 | F10-I14 HydrophobicContact CD1-CD1 3.76Å; F10-I14 HydrophobicContact CE1-CD1 3.31Å; F10-I14 HydrophobicContact CE1-CG1 4.41Å; F10-I14 HydrophobicContact CE2-CD1 4.17Å; F10-I14 HydrophobicContact CG-CD1 4.37Å; F10-I14 HydrophobicContact CZ-CD1 3.55Å; F10-I14 HydrophobicContact CZ-CG1 4.36Å; F10-I14 WeakPolarHBondContact O-CG1 3.42Å; F10-I14 PolarHBondContact O-N 3.25Å; A11-I14 PolarHBondContact O-N 3.01Å; I14-A17 WeakPolarHBondContact O-CB 3.23Å; I14-A17 PolarHBondContact O-N 3.05Å; I14-F18 HydrophobicContact CG2-CD2 3.64Å; I14-F18 HydrophobicContact CG2-CE2 3.54Å; I14-F18 WeakPolarHBondContact O-CD2 3.34Å; I14-F18 PolarHBondContact O-N 2.92Å |
| 15 | M | 66.7 | Low | 70.8 | Confident | 121 Ų | 121 | 104.8 Ų | 104.8 | 60% | 0.596 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.7 | -43 | 178.6 | -71.4 | -164.6 | -60.7 | 0 | 0 | 112.1 | A11 A12 A17 F18 D19 | A11-M15 WeakPolarHBondContact O-CG 3.32Å; A11-M15 PolarHBondContact O-N 3.21Å; A12-M15 PolarHBondContact O-N 3.26Å; M15-A17 VanDerWaalsContact C-N 3.29Å; M15-A17 PolarHBondContact O-N 3.17Å; M15-F18 PolarHBondContact O-N 2.76Å; M15-D19 PolarHBondContact O-N 2.88Å |
| 16 | D | 66.1 | Low | 72.3 | Confident | 68 Ų | 68 | 101.3 Ų | 101.3 | 36% | 0.364 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.5 | -32.1 | 174.8 | -174 | 41.1 | 0 | 0 | 0 | 112 | A12 R20 | A12-D16 WeakPolarHBondContact O-CB 3.48Å; A12-D16 PolarHBondContact O-N 2.88Å; D16-R20 WeakPolarHBondContact O-CB 3.43Å; D16-R20 VanDerWaalsContact O-CG 3.23Å; D16-R20 WeakPolarHBondContact O-CG 3.49Å; D16-R20 PolarHBondContact O-N 3.42Å; D16-R20 VanDerWaalsContact O-N 3.15Å; D16-R20 IonicContact OD1-CZ 3.25Å; D16-R20 VanDerWaalsContact OD1-CZ 3.25Å; D16-R20 IonicContact OD1-NE 2.91Å; D16-R20 PolarHBondContact OD1-NE 2.99Å; D16-R20 IonicContact OD1-NH2 2.91Å; D16-R20 PolarHBondContact OD1-NH2 3.11Å; D16-R20 IonicContact OD2-CZ 3.08Å; D16-R20 IonicContact OD2-NE 3.45Å; D16-R20 PolarHBondContact OD2-NE 3.27Å; D16-R20 IonicContact OD2-NH1 3.72Å; D16-R20 IonicContact OD2-NH2 2.69Å; D16-R20 PolarHBondContact OD2-NH2 3.37Å |
| 17 | A | 61.3 | Low | 73.8 | Confident | 56 Ų | 56 | 96.2 Ų | 96.2 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70.6 | -36.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E13 I14 M15 R20 S21 | E13-A17 VanDerWaalsContact O-CB 3.27Å; E13-A17 WeakPolarHBondContact O-CB 3.31Å; E13-A17 PolarHBondContact O-N 2.84Å; I14-A17 WeakPolarHBondContact O-CB 3.23Å; I14-A17 PolarHBondContact O-N 3.05Å; M15-A17 VanDerWaalsContact C-N 3.29Å; M15-A17 PolarHBondContact O-N 3.17Å; A17-R20 PolarHBondContact O-N 3.22Å; A17-S21 PolarHBondContact O-N 2.7Å; A17-S21 VanDerWaalsContact O-N 3.11Å; A17-S21 PolarHBondContact O-OG 2.69Å |
| 18 | F | 59.5 | Low | 75.4 | Confident | 153 Ų | 153 | 96.4 Ų | 96.4 | 67% | 0.671 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.8 | -41.5 | 172.6 | -85.1 | -71.8 | 0 | 0 | 0 | 111.6 | I14 M15 R20 S21 | I14-F18 HydrophobicContact CG2-CD2 3.64Å; I14-F18 HydrophobicContact CG2-CE2 3.54Å; I14-F18 WeakPolarHBondContact O-CD2 3.34Å; I14-F18 PolarHBondContact O-N 2.92Å; M15-F18 PolarHBondContact O-N 2.76Å; F18-R20 PolarHBondContact O-N 3.29Å; F18-S21 VanDerWaalsContact O-CB 3.31Å; F18-S21 WeakPolarHBondContact O-CB 3.47Å; F18-S21 PolarHBondContact O-N 2.76Å; F18-S21 VanDerWaalsContact O-N 3.07Å |
| 19 | D | 62.9 | Low | 76.8 | Confident | 142 Ų | 142 | 96.2 Ų | 96.2 | 76% | 0.759 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66 | -23.4 | 177.7 | -73.5 | -21.8 | 0 | 0 | 0 | 112.8 | M15 | M15-D19 PolarHBondContact O-N 2.88Å |
| 20 | R | 68.5 | Low | 77.9 | Confident | 183 Ų | 183 | 97.2 Ų | 97.2 | 69% | 0.691 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | 2.9 | 174.9 | -65.3 | 176.8 | -164.6 | -173.6 | 6.1 | 114 | D16 A17 F18 | D16-R20 WeakPolarHBondContact O-CB 3.43Å; D16-R20 VanDerWaalsContact O-CG 3.23Å; D16-R20 WeakPolarHBondContact O-CG 3.49Å; D16-R20 PolarHBondContact O-N 3.42Å; D16-R20 VanDerWaalsContact O-N 3.15Å; D16-R20 IonicContact OD1-CZ 3.25Å; D16-R20 VanDerWaalsContact OD1-CZ 3.25Å; D16-R20 IonicContact OD1-NE 2.91Å; D16-R20 PolarHBondContact OD1-NE 2.99Å; D16-R20 IonicContact OD1-NH2 2.91Å; D16-R20 PolarHBondContact OD1-NH2 3.11Å; D16-R20 IonicContact OD2-CZ 3.08Å; D16-R20 IonicContact OD2-NE 3.45Å; D16-R20 PolarHBondContact OD2-NE 3.27Å; D16-R20 IonicContact OD2-NH1 3.72Å; D16-R20 IonicContact OD2-NH2 2.69Å; D16-R20 PolarHBondContact OD2-NH2 3.37Å; A17-R20 PolarHBondContact O-N 3.22Å; F18-R20 PolarHBondContact O-N 3.29Å |
| 21 | S | 78.9 | Confident | 79.2 | Confident | 61 Ų | 61 | 94 Ų | 94 | 43% | 0.427 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -68 | 133.7 | 179.4 | -71.3 | 0 | 0 | 0 | 0 | 109.7 | A17 F18 T23 | A17-S21 PolarHBondContact O-N 2.7Å; A17-S21 VanDerWaalsContact O-N 3.11Å; A17-S21 PolarHBondContact O-OG 2.69Å; F18-S21 VanDerWaalsContact O-CB 3.31Å; F18-S21 WeakPolarHBondContact O-CB 3.47Å; F18-S21 PolarHBondContact O-N 2.76Å; F18-S21 VanDerWaalsContact O-N 3.07Å; S21-T23 PolarHBondContact O-N 2.64Å |
| 22 | P | 84.8 | Confident | 80.3 | Confident | 60 Ų | 60 | 99 Ų | 99 | 39% | 0.39 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 137 | -179 | 27.3 | -34.8 | 0 | 0 | 0 | 109.6 | E26 L27 | P22-E26 WeakPolarHBondContact CA-OE2 3.43Å; P22-E26 HydrophobicContact CB-CB 4.2Å; P22-L27 HydrophobicContact CB-CD2 4.04Å; P22-L27 HydrophobicContact CB-CG 4.07Å; P22-L27 HydrophobicContact CG-CD1 4.44Å; P22-L27 HydrophobicContact CG-CD2 3.6Å; P22-L27 HydrophobicContact CG-CG 3.96Å |
| 23 | T | 92.1 | Very high | 81.3 | Confident | 76 Ų | 76 | 97.1 Ų | 97.1 | 47% | 0.466 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 157.5 | 173 | 62.6 | 0 | 0 | 0 | 0 | 110.7 | S21 K25 E26 L27 | S21-T23 PolarHBondContact O-N 2.64Å; T23-K25 PolarHBondContact O-N 3.47Å; T23-K25 VanDerWaalsContact O-N 3.1Å; T23-E26 PolarHBondContact N-OE2 3Å; T23-E26 WeakPolarHBondContact O-CA 3.34Å; T23-E26 WeakPolarHBondContact O-CB 3.47Å; T23-E26 PolarHBondContact O-N 3.47Å; T23-E26 VanDerWaalsContact OG1-CG 3.31Å; T23-E26 WeakPolarHBondContact OG1-CG 3.33Å; T23-E26 PolarHBondContact OG1-N 3.05Å; T23-E26 PolarHBondContact OG1-OE2 3.15Å; T23-L27 PolarHBondContact O-N 3.47Å |
| 24 | D | 93.3 | Very high | 82.5 | Confident | 131 Ų | 131 | 92.5 Ų | 92.5 | 70% | 0.701 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -51.6 | -37.4 | 172.9 | -67.1 | 0.3 | 0 | 0 | 0 | 112.2 | L27 V28 | D24-L27 PolarHBondContact O-N 3.24Å; D24-V28 WeakPolarHBondContact O-CB 3.37Å; D24-V28 WeakPolarHBondContact O-CG2 3.45Å; D24-V28 PolarHBondContact O-N 2.98Å |
| 25 | K | 92.3 | Very high | 83.8 | Confident | 178 Ų | 178 | 91 Ų | 91 | 77% | 0.774 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.4 | -41.7 | 177.7 | -69.5 | -178.5 | 179.8 | 175.5 | 0 | 111.9 | T23 A29 | T23-K25 PolarHBondContact O-N 3.47Å; T23-K25 VanDerWaalsContact O-N 3.1Å; K25-A29 WeakPolarHBondContact O-CB 3.33Å; K25-A29 PolarHBondContact O-N 3.17Å |
| 26 | E | 91.5 | Very high | 85 | Confident | 96 Ų | 96 | 88.6 Ų | 88.6 | 45% | 0.449 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -69 | -43.3 | 176.9 | -72 | 165.4 | 142.1 | 0 | 0 | 111.2 | P22 T23 V28 A29 Q30 | P22-E26 WeakPolarHBondContact CA-OE2 3.43Å; P22-E26 HydrophobicContact CB-CB 4.2Å; T23-E26 PolarHBondContact N-OE2 3Å; T23-E26 WeakPolarHBondContact O-CA 3.34Å; T23-E26 WeakPolarHBondContact O-CB 3.47Å; T23-E26 PolarHBondContact O-N 3.47Å; T23-E26 VanDerWaalsContact OG1-CG 3.31Å; T23-E26 WeakPolarHBondContact OG1-CG 3.33Å; T23-E26 PolarHBondContact OG1-N 3.05Å; T23-E26 PolarHBondContact OG1-OE2 3.15Å; E26-V28 PolarHBondContact O-N 3.44Å; E26-A29 PolarHBondContact O-N 3.36Å; E26-Q30 WeakPolarHBondContact O-CB 3.4Å; E26-Q30 VanDerWaalsContact O-CG 3.23Å; E26-Q30 WeakPolarHBondContact O-CG 3.48Å; E26-Q30 PolarHBondContact O-N 3.5Å |
| 27 | L | 93.1 | Very high | 86.2 | Confident | 83 Ų | 83 | 86.3 Ų | 86.3 | 44% | 0.435 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59 | -46.2 | 175 | -70.8 | 175.4 | 0 | 0 | 0 | 111.4 | P22 T23 D24 A29 Q30 A31 | P22-L27 HydrophobicContact CB-CD2 4.04Å; P22-L27 HydrophobicContact CB-CG 4.07Å; P22-L27 HydrophobicContact CG-CD1 4.44Å; P22-L27 HydrophobicContact CG-CD2 3.6Å; P22-L27 HydrophobicContact CG-CG 3.96Å; T23-L27 PolarHBondContact O-N 3.47Å; D24-L27 PolarHBondContact O-N 3.24Å; L27-A29 PolarHBondContact O-N 3.3Å; L27-Q30 PolarHBondContact O-N 3.24Å; L27-A31 VanDerWaalsContact O-CB 3.26Å; L27-A31 WeakPolarHBondContact O-CB 3.47Å; L27-A31 PolarHBondContact O-N 3.12Å |
| 28 | V | 94.9 | Very high | 87.7 | Confident | 76 Ų | 76 | 86.5 Ų | 86.5 | 46% | 0.461 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63 | -41.5 | 176.4 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | D24 E26 K32 | D24-V28 WeakPolarHBondContact O-CB 3.37Å; D24-V28 WeakPolarHBondContact O-CG2 3.45Å; D24-V28 PolarHBondContact O-N 2.98Å; E26-V28 PolarHBondContact O-N 3.44Å; V28-K32 HydrophobicContact CG1-CD 4.05Å; V28-K32 WeakPolarHBondContact O-CB 3.34Å; V28-K32 VanDerWaalsContact O-CG 3.25Å; V28-K32 WeakPolarHBondContact O-CG 3.28Å; V28-K32 PolarHBondContact O-N 2.97Å |
| 29 | A | 91.8 | Very high | 89.3 | Confident | 60 Ų | 60 | 83.3 Ų | 83.3 | 50% | 0.496 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K25 E26 L27 K32 A33 | K25-A29 WeakPolarHBondContact O-CB 3.33Å; K25-A29 PolarHBondContact O-N 3.17Å; E26-A29 PolarHBondContact O-N 3.36Å; L27-A29 PolarHBondContact O-N 3.3Å; A29-K32 PolarHBondContact O-N 3.13Å; A29-A33 PolarHBondContact O-N 2.89Å |
| 30 | Q | 93 | Very high | 90.6 | Very high | 81 Ų | 81 | 78.6 Ų | 78.6 | 38% | 0.379 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.2 | -46.9 | 176.8 | -70 | 172.9 | 14.2 | 0 | 0 | 111.4 | E26 L27 K32 A33 L34 L64 | E26-Q30 WeakPolarHBondContact O-CB 3.4Å; E26-Q30 VanDerWaalsContact O-CG 3.23Å; E26-Q30 WeakPolarHBondContact O-CG 3.48Å; E26-Q30 PolarHBondContact O-N 3.5Å; L27-Q30 PolarHBondContact O-N 3.24Å; Q30-K32 VanDerWaalsContact C-N 3.34Å; Q30-K32 PolarHBondContact O-N 3.42Å; Q30-A33 WeakPolarHBondContact O-CB 3.31Å; Q30-A33 PolarHBondContact O-N 2.97Å; Q30-A33 VanDerWaalsContact O-N 3.17Å; Q30-L34 WeakPolarHBondContact O-CG 3.24Å; Q30-L34 PolarHBondContact O-N 3.37Å; Q30-L64 HydrophobicContact CB-CD1 3.91Å; Q30-L64 HydrophobicContact CB-CD2 4.49Å; Q30-L64 HydrophobicContact CG-CD1 4.02Å; Q30-L64 HydrophobicContact CG-CD2 4.2Å |
| 31 | A | 94.8 | Very high | 91.6 | Very high | 60 Ų | 60 | 71.2 Ų | 71.2 | 50% | 0.496 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L27 L34 G35 | L27-A31 VanDerWaalsContact O-CB 3.26Å; L27-A31 WeakPolarHBondContact O-CB 3.47Å; L27-A31 PolarHBondContact O-N 3.12Å; A31-L34 PolarHBondContact O-N 3.45Å; A31-G35 PolarHBondContact O-N 2.99Å |
| 32 | K | 94.1 | Very high | 92.2 | Very high | 149 Ų | 149 | 70.1 Ų | 70.1 | 65% | 0.648 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.7 | -41.3 | 174.7 | -76.9 | 176.3 | 179.1 | -178.9 | 0 | 112.3 | V28 A29 Q30 R36 | V28-K32 HydrophobicContact CG1-CD 4.05Å; V28-K32 WeakPolarHBondContact O-CB 3.34Å; V28-K32 VanDerWaalsContact O-CG 3.25Å; V28-K32 WeakPolarHBondContact O-CG 3.28Å; V28-K32 PolarHBondContact O-N 2.97Å; A29-K32 PolarHBondContact O-N 3.13Å; Q30-K32 VanDerWaalsContact C-N 3.34Å; Q30-K32 PolarHBondContact O-N 3.42Å; K32-R36 WeakPolarHBondContact O-CB 3.39Å; K32-R36 PolarHBondContact O-N 2.93Å; K32-R36 VanDerWaalsContact O-N 3.11Å |
| 33 | A | 91.8 | Very high | 92.5 | Very high | 14 Ų | 14 | 70.9 Ų | 70.9 | 12% | 0.116 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.4 | -51.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | A29 Q30 G35 R36 E37 L64 | A29-A33 PolarHBondContact O-N 2.89Å; Q30-A33 WeakPolarHBondContact O-CB 3.31Å; Q30-A33 PolarHBondContact O-N 2.97Å; Q30-A33 VanDerWaalsContact O-N 3.17Å; A33-G35 PolarHBondContact O-N 3.5Å; A33-R36 PolarHBondContact O-N 3.49Å; A33-E37 WeakPolarHBondContact O-CG 3.5Å; A33-E37 PolarHBondContact O-N 2.94Å; A33-L64 HydrophobicContact CB-CD2 4.22Å |
| 34 | L | 94.3 | Very high | 92.3 | Very high | 26 Ų | 26 | 71.3 Ų | 71.3 | 14% | 0.136 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.5 | -47.1 | 179.1 | -67.9 | 170.7 | 0 | 0 | 0 | 112.4 | Q30 A31 R36 E37 Y38 L64 V67 C68 L71 | Q30-L34 WeakPolarHBondContact O-CG 3.24Å; Q30-L34 PolarHBondContact O-N 3.37Å; A31-L34 PolarHBondContact O-N 3.45Å; L34-R36 VanDerWaalsContact C-N 3.33Å; L34-R36 PolarHBondContact O-N 3.32Å; L34-E37 PolarHBondContact O-N 3.22Å; L34-Y38 WeakPolarHBondContact O-CB 3.38Å; L34-Y38 PolarHBondContact O-N 2.69Å; L34-L64 HydrophobicContact CD1-CD1 3.95Å; L34-L64 HydrophobicContact CD2-CD1 3.94Å; L34-L64 HydrophobicContact CD2-CG 4.44Å; L34-L64 HydrophobicContact CG-CD1 3.87Å; L34-V67 HydrophobicContact CD1-CG1 3.94Å; L34-V67 HydrophobicContact CD2-CG1 4.13Å; L34-C68 HydrophobicContact CD2-CB 3.65Å; L34-L71 HydrophobicContact CB-CD2 4.03Å; L34-L71 HydrophobicContact CD2-CD2 4.47Å |
| 35 | G | 94.2 | Very high | 92.1 | Very high | 36 Ų | 36 | 71.3 Ų | 71.3 | 37% | 0.371 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.3 | -40.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A31 A33 Y38 V39 | A31-G35 PolarHBondContact O-N 2.99Å; A33-G35 PolarHBondContact O-N 3.5Å; G35-Y38 PolarHBondContact O-N 3.07Å; G35-V39 WeakPolarHBondContact O-CG2 3.35Å; G35-V39 PolarHBondContact O-N 3.37Å |
| 36 | R | 92 | Very high | 92 | Very high | 71 Ų | 71 | 66 Ų | 66 | 27% | 0.268 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.7 | -49.1 | 175.9 | -177.2 | -171.6 | 65.3 | -122.8 | 2.3 | 111.7 | K32 A33 L34 Y38 V39 H40 A56 | K32-R36 WeakPolarHBondContact O-CB 3.39Å; K32-R36 PolarHBondContact O-N 2.93Å; K32-R36 VanDerWaalsContact O-N 3.11Å; A33-R36 PolarHBondContact O-N 3.49Å; L34-R36 VanDerWaalsContact C-N 3.33Å; L34-R36 PolarHBondContact O-N 3.32Å; R36-Y38 VanDerWaalsContact C-N 3.3Å; R36-Y38 PolarHBondContact O-N 3.2Å; R36-V39 PolarHBondContact O-N 3.19Å; R36-H40 VanDerWaalsContact O-CB 3.3Å; R36-H40 WeakPolarHBondContact O-CB 3.46Å; R36-H40 PolarHBondContact O-N 2.88Å; R36-A56 PolarHBondContact NH2-O 3.17Å |
| 37 | E | 91.2 | Very high | 91.9 | Very high | 21 Ų | 21 | 64.3 Ų | 64.3 | 10% | 0.098 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.3 | -38.8 | 178.7 | -61 | -53.1 | 126.4 | 0 | 0 | 111.2 | A33 L34 H40 A41 S57 P58 | A33-E37 WeakPolarHBondContact O-CG 3.5Å; A33-E37 PolarHBondContact O-N 2.94Å; L34-E37 PolarHBondContact O-N 3.22Å; E37-H40 PolarHBondContact O-N 3.28Å; E37-A41 WeakPolarHBondContact O-CB 3.43Å; E37-A41 PolarHBondContact O-N 3.06Å; E37-S57 VanDerWaalsContact CD-OG 3.27Å; E37-S57 PolarHBondContact OE2-OG 3.24Å; E37-P58 HydrophobicContact CG-CG 4.31Å |
| 38 | Y | 93.6 | Very high | 91.5 | Very high | 60 Ų | 60 | 66 Ų | 66 | 24% | 0.235 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.6 | -50.2 | 176.9 | -166.8 | -86.5 | 0 | 0 | 0 | 112.1 | L34 G35 R36 A41 R42 L71 L72 G75 | L34-Y38 WeakPolarHBondContact O-CB 3.38Å; L34-Y38 PolarHBondContact O-N 2.69Å; G35-Y38 PolarHBondContact O-N 3.07Å; R36-Y38 VanDerWaalsContact C-N 3.3Å; R36-Y38 PolarHBondContact O-N 3.2Å; Y38-A41 PolarHBondContact O-N 2.98Å; Y38-R42 HydrophobicContact CD1-CG 4.22Å; Y38-R42 HydrophobicContact CE1-CG 4.05Å; Y38-R42 VanDerWaalsContact O-CG 3.24Å; Y38-R42 WeakPolarHBondContact O-CG 3.49Å; Y38-R42 PolarHBondContact O-N 3.45Å; Y38-R42 VanDerWaalsContact O-N 3.13Å; Y38-R42 PolarHBondContact OH-NH2 3.42Å; Y38-L71 HydrophobicContact CD2-CD2 4.15Å; Y38-L71 HydrophobicContact CD2-CG 3.91Å; Y38-L71 HydrophobicContact CE2-CG 4.3Å; Y38-L72 HydrophobicContact CD2-CD2 3.84Å; Y38-L72 HydrophobicContact CE2-CD2 4.48Å; Y38-L72 HydrophobicContact CG-CD2 4.38Å; Y38-G75 VanDerWaalsContact OH-CA 3.31Å; Y38-G75 WeakPolarHBondContact OH-CA 3.39Å |
| 39 | V | 92.4 | Very high | 90.5 | Very high | 85 Ų | 85 | 66.1 Ų | 66.1 | 52% | 0.515 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 176.7 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | G35 R36 A41 R42 L43 | G35-V39 WeakPolarHBondContact O-CG2 3.35Å; G35-V39 PolarHBondContact O-N 3.37Å; R36-V39 PolarHBondContact O-N 3.19Å; V39-A41 PolarHBondContact O-N 2.94Å; V39-R42 PolarHBondContact O-N 3.48Å; V39-L43 HydrophobicContact CG1-CD1 3.91Å; V39-L43 HydrophobicContact CG1-CG 4.29Å; V39-L43 WeakPolarHBondContact O-CG 3.49Å; V39-L43 PolarHBondContact O-N 3.3Å |
| 40 | H | 89.7 | Confident | 89.3 | Confident | 44 Ų | 44 | 73.8 Ų | 73.8 | 20% | 0.204 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.5 | -47.7 | 179.2 | -175.7 | 61.6 | 0 | 0 | 0 | 112 | R36 E37 R42 L43 L44 | R36-H40 VanDerWaalsContact O-CB 3.3Å; R36-H40 WeakPolarHBondContact O-CB 3.46Å; R36-H40 PolarHBondContact O-N 2.88Å; E37-H40 PolarHBondContact O-N 3.28Å; H40-R42 VanDerWaalsContact C-N 3.27Å; H40-R42 PolarHBondContact O-N 2.92Å; H40-L43 PolarHBondContact O-N 3.25Å; H40-L44 WeakPolarHBondContact NE2-CD1 3.3Å; H40-L44 WeakPolarHBondContact O-CG 2.99Å; H40-L44 PolarHBondContact O-N 2.98Å |
| 41 | A | 90.7 | Very high | 87.6 | Confident | 28 Ų | 28 | 74.5 Ų | 74.5 | 23% | 0.231 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59.1 | -38.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E37 Y38 V39 R45 L72 | E37-A41 WeakPolarHBondContact O-CB 3.43Å; E37-A41 PolarHBondContact O-N 3.06Å; Y38-A41 PolarHBondContact O-N 2.98Å; V39-A41 PolarHBondContact O-N 2.94Å; A41-R45 WeakPolarHBondContact O-CB 3.33Å; A41-R45 PolarHBondContact O-N 3.04Å; A41-L72 HydrophobicContact CB-CD1 4.44Å; A41-L72 HydrophobicContact CB-CD2 3.59Å |
| 42 | R | 91.3 | Very high | 85.7 | Confident | 38 Ų | 38 | 75.5 Ų | 75.5 | 14% | 0.143 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -67.8 | -40.6 | 176.2 | -69.3 | -71.8 | -176.9 | -103.9 | 14.2 | 112.6 | Y38 V39 H40 R45 A46 G75 D76 E79 | Y38-R42 HydrophobicContact CD1-CG 4.22Å; Y38-R42 HydrophobicContact CE1-CG 4.05Å; Y38-R42 VanDerWaalsContact O-CG 3.24Å; Y38-R42 WeakPolarHBondContact O-CG 3.49Å; Y38-R42 PolarHBondContact O-N 3.45Å; Y38-R42 VanDerWaalsContact O-N 3.13Å; Y38-R42 PolarHBondContact OH-NH2 3.42Å; V39-R42 PolarHBondContact O-N 3.48Å; H40-R42 VanDerWaalsContact C-N 3.27Å; H40-R42 PolarHBondContact O-N 2.92Å; R42-R45 PolarHBondContact O-N 3.47Å; R42-A46 WeakPolarHBondContact O-CB 3.26Å; R42-A46 PolarHBondContact O-N 3.3Å; R42-G75 PolarHBondContact NH2-O 3.06Å; R42-D76 IonicContact CZ-OD1 3.07Å; R42-D76 IonicContact NH1-OD1 2.64Å; R42-D76 PolarHBondContact NH1-OD1 3.4Å; R42-D76 VanDerWaalsContact NH2-N 3.18Å; R42-D76 IonicContact NH2-OD1 3.65Å; R42-D76 PolarHBondContact NH2-OD1 3.01Å; R42-E79 IonicContact CZ-OE1 2.76Å; R42-E79 IonicContact NE-OE1 3.55Å; R42-E79 PolarHBondContact NE-OE1 3.17Å; R42-E79 IonicContact NH2-OE1 2.76Å; R42-E79 PolarHBondContact NH2-OE1 3.42Å; R42-E79 IonicContact NH2-OE2 3.62Å |
| 43 | L | 90.1 | Very high | 84 | Confident | 75 Ų | 75 | 70.6 Ų | 70.6 | 39% | 0.393 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.3 | -44 | 175.4 | -69.7 | 172.1 | 0 | 0 | 0 | 111.8 | V39 H40 R45 A46 G47 L48 | V39-L43 HydrophobicContact CG1-CD1 3.91Å; V39-L43 HydrophobicContact CG1-CG 4.29Å; V39-L43 WeakPolarHBondContact O-CG 3.49Å; V39-L43 PolarHBondContact O-N 3.3Å; H40-L43 PolarHBondContact O-N 3.25Å; L43-R45 VanDerWaalsContact C-N 3.35Å; L43-R45 PolarHBondContact O-N 2.93Å; L43-A46 CarbonylContact O-C 3.58Å; L43-A46 PolarHBondContact O-N 3.42Å; L43-A46 VanDerWaalsContact O-N 3.15Å; L43-G47 PolarHBondContact O-N 3.13Å; L43-L48 HydrophobicContact CD2-CB 4.27Å; L43-L48 HydrophobicContact CD2-CD1 4.23Å; L43-L48 PolarHBondContact O-N 3.44Å |
| 44 | L | 89.1 | Confident | 82.2 | Confident | 85 Ų | 85 | 79.8 Ų | 79.8 | 45% | 0.445 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -57.3 | -47.9 | 173.9 | -73 | -179.6 | 0 | 0 | 0 | 111.2 | H40 A46 G47 S49 | H40-L44 WeakPolarHBondContact NE2-CD1 3.3Å; H40-L44 WeakPolarHBondContact O-CG 2.99Å; H40-L44 PolarHBondContact O-N 2.98Å; L44-A46 PolarHBondContact O-N 3.34Å; L44-G47 PolarHBondContact O-N 2.87Å; L44-S49 VanDerWaalsContact CD2-CB 3.48Å |
| 45 | R | 88.8 | Confident | 80.5 | Confident | 132 Ų | 132 | 87.9 Ų | 87.9 | 50% | 0.498 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.1 | -31.1 | 177.6 | -170.1 | 178.8 | 68.6 | -179.3 | 2.9 | 112.8 | A41 R42 L43 G47 D76 E79 | A41-R45 WeakPolarHBondContact O-CB 3.33Å; A41-R45 PolarHBondContact O-N 3.04Å; R42-R45 PolarHBondContact O-N 3.47Å; L43-R45 VanDerWaalsContact C-N 3.35Å; L43-R45 PolarHBondContact O-N 2.93Å; R45-G47 PolarHBondContact O-N 3.32Å; R45-D76 IonicContact CZ-OD1 3.84Å; R45-D76 IonicContact NH1-OD1 2.69Å; R45-D76 PolarHBondContact NH1-OD1 2.92Å; R45-E79 IonicContact CZ-OE2 2.7Å; R45-E79 IonicContact NH1-OE2 2.92Å; R45-E79 IonicContact NH2-OE1 3.2Å; R45-E79 IonicContact NH2-OE2 3.74Å; R45-E79 PolarHBondContact NH2-OE2 3.38Å |
| 46 | A | 89.1 | Confident | 78.7 | Confident | 65 Ų | 65 | 90.6 Ų | 90.6 | 54% | 0.537 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -1.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | R42 L43 L44 L48 | R42-A46 WeakPolarHBondContact O-CB 3.26Å; R42-A46 PolarHBondContact O-N 3.3Å; L43-A46 CarbonylContact O-C 3.58Å; L43-A46 PolarHBondContact O-N 3.42Å; L43-A46 VanDerWaalsContact O-N 3.15Å; L44-A46 PolarHBondContact O-N 3.34Å; A46-L48 VanDerWaalsContact C-N 3.25Å; A46-L48 HydrophobicContact CB-CD1 4.05Å; A46-L48 HydrophobicContact CB-CG 4.09Å; A46-L48 PolarHBondContact O-N 3.25Å |
| 47 | G | 89.2 | Confident | 77.4 | Confident | 62 Ų | 62 | 90.3 Ų | 90.3 | 64% | 0.639 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 15.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L43 L44 R45 | L43-G47 PolarHBondContact O-N 3.13Å; L44-G47 PolarHBondContact O-N 2.87Å; R45-G47 PolarHBondContact O-N 3.32Å |
| 48 | L | 86.4 | Confident | 76.2 | Confident | 118 Ų | 118 | 90.2 Ų | 90.2 | 62% | 0.618 | 50% | 0.502 | S | S | * | . | trans | -99.2 | 33.8 | -176.8 | -60.7 | 174.8 | 0 | 0 | 0 | 111.8 | L43 A46 W50 | L43-L48 HydrophobicContact CD2-CB 4.27Å; L43-L48 HydrophobicContact CD2-CD1 4.23Å; L43-L48 PolarHBondContact O-N 3.44Å; A46-L48 VanDerWaalsContact C-N 3.25Å; A46-L48 HydrophobicContact CB-CD1 4.05Å; A46-L48 HydrophobicContact CB-CG 4.09Å; A46-L48 PolarHBondContact O-N 3.25Å; L48-W50 PolarHBondContact O-N 3.34Å | ||
| 49 | S | 73 | Confident | 75 | Confident | 79 Ų | 79 | 90.8 Ų | 90.8 | 55% | 0.552 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 123.7 | -174 | 65.2 | 0 | 0 | 0 | 0 | 111.8 | L44 | L44-S49 VanDerWaalsContact CD2-CB 3.48Š|
| 50 | W | 66.5 | Low | 73.9 | Confident | 221 Ų | 221 | 93 Ų | 93 | 84% | 0.837 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -94.7 | 163.8 | 160.1 | -160.1 | -85.7 | 0 | 0 | 0 | 109.2 | L48 A52 | L48-W50 PolarHBondContact O-N 3.34Å; W50-A52 PolarHBondContact O-N 3.19Å |
| 51 | S | 56.7 | Low | 73 | Confident | 95 Ų | 95 | 94.6 Ų | 94.6 | 66% | 0.664 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -47.8 | 140 | 170.2 | 47.3 | 0 | 0 | 0 | 0 | 110.7 | ||
| 52 | A | 56 | Low | 72.8 | Confident | 81 Ų | 81 | 94.7 Ų | 94.7 | 67% | 0.669 | 57% | 0.567 | S | S | * | * | trans | -43.9 | 148.5 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | W50 E54 | W50-A52 PolarHBondContact O-N 3.19Å; A52-E54 PolarHBondContact O-N 3.39Å | ||
| 53 | P | 57.2 | Low | 72.6 | Confident | 46 Ų | 46 | 103 Ų | 103 | 30% | 0.299 | 60% | 0.598 | S | S | . | * | trans | -56 | 127.6 | 177.6 | 21.8 | -31.1 | 0 | 0 | 0 | 110.6 | R55 | P53-R55 PolarHBondContact O-N 2.93Š| ||
| 54 | E | 54.5 | Low | 72.6 | Confident | 208 Ų | 208 | 101.7 Ų | 101.7 | 97% | 0.972 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -61.6 | -8.2 | -176.5 | -136.2 | 175.8 | -167.1 | 0 | 0 | 113.9 | A52 | A52-E54 PolarHBondContact O-N 3.39Š|
| 55 | R | 58.9 | Low | 72.6 | Confident | 196 Ų | 196 | 98.5 Ų | 98.5 | 74% | 0.74 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -115.8 | 138 | 178.5 | -80 | -176.7 | 176.4 | 163.9 | 0.8 | 111.6 | P53 S57 | P53-R55 PolarHBondContact O-N 2.93Å; R55-S57 PolarHBondContact O-N 3.2Å |
| 56 | A | 57.2 | Low | 72.8 | Confident | 92 Ų | 92 | 98.2 Ų | 98.2 | 76% | 0.76 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 124.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R36 | R36-A56 PolarHBondContact NH2-O 3.17Š|
| 57 | S | 63.1 | Low | 73.1 | Confident | 66 Ų | 66 | 98 Ų | 98 | 46% | 0.462 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -54.3 | 155.1 | 161.7 | -163.4 | 0 | 0 | 0 | 0 | 109 | E37 R55 A59 | E37-S57 VanDerWaalsContact CD-OG 3.27Å; E37-S57 PolarHBondContact OE2-OG 3.24Å; R55-S57 PolarHBondContact O-N 3.2Å; S57-A59 PolarHBondContact O-N 2.94Å |
| 58 | P | 67.3 | Low | 73.3 | Confident | 19 Ų | 19 | 95.6 Ų | 95.6 | 12% | 0.123 | 55% | 0.547 | C | S | . | . | S | Bend | trans | -47.7 | 136.5 | 175 | -25.2 | 33.7 | 0 | 0 | 0 | 110.5 | E37 L64 A65 | E37-P58 HydrophobicContact CG-CG 4.31Å; P58-L64 HydrophobicContact CB-CB 4.35Å; P58-L64 HydrophobicContact CB-CD2 4.18Å; P58-L64 HydrophobicContact CB-CG 4.18Å; P58-L64 HydrophobicContact CG-CD2 4.24Å; P58-L64 HydrophobicContact CG-CG 4.27Å; P58-A65 HydrophobicContact CB-CB 4.26Å |
| 59 | A | 68.6 | Low | 73.7 | Confident | 72 Ų | 72 | 94.6 Ų | 94.6 | 60% | 0.595 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 127 | -178.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | S57 G61 G62 | S57-A59 PolarHBondContact O-N 2.94Å; A59-G61 PolarHBondContact O-N 3.02Å; A59-G62 PolarHBondContact O-N 3.14Å; A59-G62 VanDerWaalsContact O-N 3.12Å |
| 60 | P | 68 | Low | 74.8 | Confident | 132 Ų | 132 | 94.8 Ų | 94.8 | 86% | 0.857 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 135.2 | -176.7 | 22.2 | -31.1 | 0 | 0 | 0 | 110.2 | G62 | P60-G62 VanDerWaalsContact C-N 3.33Š|
| 61 | G | 71.8 | Confident | 76.2 | Confident | 76 Ų | 76 | 87.4 Ų | 87.4 | 78% | 0.784 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | 1.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | A59 | A59-G61 PolarHBondContact O-N 3.02Š|
| 62 | G | 85.2 | Confident | 78 | Confident | 30 Ų | 30 | 84.9 Ų | 84.9 | 31% | 0.309 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -85.1 | 157.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A59 P60 L64 A65 E66 | A59-G62 PolarHBondContact O-N 3.14Å; A59-G62 VanDerWaalsContact O-N 3.12Å; P60-G62 VanDerWaalsContact C-N 3.33Å; G62-L64 PolarHBondContact O-N 3.03Å; G62-L64 VanDerWaalsContact O-N 3.14Å; G62-A65 WeakPolarHBondContact O-CA 3.25Å; G62-A65 VanDerWaalsContact O-CB 3.28Å; G62-A65 WeakPolarHBondContact O-CB 3.16Å; G62-A65 PolarHBondContact O-N 3.45Å; G62-E66 PolarHBondContact O-N 2.89Å |
| 63 | R | 88.4 | Confident | 79.9 | Confident | 212 Ų | 212 | 89 Ų | 89 | 80% | 0.8 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -51.1 | -39 | 176.9 | -176 | 179.4 | -179.7 | 116.4 | -1.6 | 113.6 | A65 E66 V67 | R63-A65 VanDerWaalsContact C-N 3.29Å; R63-A65 PolarHBondContact O-N 3.43Å; R63-E66 WeakPolarHBondContact O-CB 3.33Å; R63-E66 PolarHBondContact O-N 2.86Å; R63-V67 WeakPolarHBondContact O-CG2 3.45Å; R63-V67 PolarHBondContact O-N 3.35Å |
| 64 | L | 89.1 | Confident | 81.8 | Confident | 48 Ų | 48 | 90.6 Ų | 90.6 | 25% | 0.251 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.1 | -31.1 | 178.5 | -171.7 | 65.2 | 0 | 0 | 0 | 112.3 | Q30 A33 L34 P58 G62 C68 | Q30-L64 HydrophobicContact CB-CD1 3.91Å; Q30-L64 HydrophobicContact CB-CD2 4.49Å; Q30-L64 HydrophobicContact CG-CD1 4.02Å; Q30-L64 HydrophobicContact CG-CD2 4.2Å; A33-L64 HydrophobicContact CB-CD2 4.22Å; L34-L64 HydrophobicContact CD1-CD1 3.95Å; L34-L64 HydrophobicContact CD2-CD1 3.94Å; L34-L64 HydrophobicContact CD2-CG 4.44Å; L34-L64 HydrophobicContact CG-CD1 3.87Å; P58-L64 HydrophobicContact CB-CB 4.35Å; P58-L64 HydrophobicContact CB-CD2 4.18Å; P58-L64 HydrophobicContact CB-CG 4.18Å; P58-L64 HydrophobicContact CG-CD2 4.24Å; P58-L64 HydrophobicContact CG-CG 4.27Å; G62-L64 PolarHBondContact O-N 3.03Å; G62-L64 VanDerWaalsContact O-N 3.14Å; L64-C68 WeakPolarHBondContact O-CB 3.31Å; L64-C68 PolarHBondContact O-N 3.33Å |
| 65 | A | 89.8 | Confident | 83.8 | Confident | 19 Ų | 19 | 81 Ų | 81 | 16% | 0.157 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -68.5 | -41 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111 | P58 G62 R63 C68 T69 | P58-A65 HydrophobicContact CB-CB 4.26Å; G62-A65 WeakPolarHBondContact O-CA 3.25Å; G62-A65 VanDerWaalsContact O-CB 3.28Å; G62-A65 WeakPolarHBondContact O-CB 3.16Å; G62-A65 PolarHBondContact O-N 3.45Å; R63-A65 VanDerWaalsContact C-N 3.29Å; R63-A65 PolarHBondContact O-N 3.43Å; A65-C68 WeakPolarHBondContact O-CB 3.45Å; A65-C68 PolarHBondContact O-N 3.41Å; A65-T69 PolarHBondContact O-N 3.45Å; A65-T69 PolarHBondContact O-OG1 3.44Å; A65-T69 VanDerWaalsContact O-OG1 3.14Å |
| 66 | E | 92.9 | Very high | 85.5 | Confident | 125 Ų | 125 | 74.2 Ų | 74.2 | 58% | 0.584 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -60.8 | -46.6 | 173.8 | -63.4 | 175.7 | 177 | 0 | 0 | 111.6 | G62 R63 C68 T69 V70 | G62-E66 PolarHBondContact O-N 2.89Å; R63-E66 WeakPolarHBondContact O-CB 3.33Å; R63-E66 PolarHBondContact O-N 2.86Å; E66-C68 VanDerWaalsContact C-N 3.28Å; E66-C68 PolarHBondContact O-N 2.86Å; E66-T69 WeakPolarHBondContact O-CB 3.49Å; E66-T69 PolarHBondContact O-N 2.84Å; E66-V70 WeakPolarHBondContact O-CG2 3.49Å; E66-V70 PolarHBondContact O-N 2.88Å |
| 67 | V | 94.6 | Very high | 87.3 | Confident | 60 Ų | 60 | 73.1 Ų | 73.1 | 36% | 0.364 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.9 | -41.9 | 174.7 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | L34 R63 V70 L71 | L34-V67 HydrophobicContact CD1-CG1 3.94Å; L34-V67 HydrophobicContact CD2-CG1 4.13Å; R63-V67 WeakPolarHBondContact O-CG2 3.45Å; R63-V67 PolarHBondContact O-N 3.35Å; V67-V70 PolarHBondContact O-N 2.91Å; V67-L71 VanDerWaalsContact O-CB 3.31Å; V67-L71 WeakPolarHBondContact O-CB 3.48Å; V67-L71 PolarHBondContact O-N 2.84Å |
| 68 | C | 93.9 | Very high | 88.9 | Confident | 12 Ų | 12 | 73 Ų | 73 | 8% | 0.081 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 176.2 | -168.5 | 0 | 0 | 0 | 0 | 111.7 | L34 L64 A65 E66 V70 L71 L72 | L34-C68 HydrophobicContact CD2-CB 3.65Å; L64-C68 WeakPolarHBondContact O-CB 3.31Å; L64-C68 PolarHBondContact O-N 3.33Å; A65-C68 WeakPolarHBondContact O-CB 3.45Å; A65-C68 PolarHBondContact O-N 3.41Å; E66-C68 VanDerWaalsContact C-N 3.28Å; E66-C68 PolarHBondContact O-N 2.86Å; C68-V70 PolarHBondContact O-N 3.39Å; C68-L71 PolarHBondContact O-N 3.21Å; C68-L72 WeakPolarHBondContact O-CB 3.34Å; C68-L72 VanDerWaalsContact O-CG 3.28Å; C68-L72 WeakPolarHBondContact O-CG 3.36Å; C68-L72 PolarHBondContact O-N 2.96Å |
| 69 | T | 94 | Very high | 90.1 | Very high | 97 Ų | 97 | 73 Ų | 73 | 60% | 0.595 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -59.5 | -45.2 | 176.6 | -58.1 | 0 | 0 | 0 | 0 | 112 | A65 E66 R73 | A65-T69 PolarHBondContact O-N 3.45Å; A65-T69 PolarHBondContact O-OG1 3.44Å; A65-T69 VanDerWaalsContact O-OG1 3.14Å; E66-T69 WeakPolarHBondContact O-CB 3.49Å; E66-T69 PolarHBondContact O-N 2.84Å; T69-R73 WeakPolarHBondContact O-CB 3.36Å; T69-R73 PolarHBondContact O-N 3.36Å; T69-R73 VanDerWaalsContact O-N 3.12Å |
| 70 | V | 96.5 | Very high | 91.3 | Very high | 84 Ų | 84 | 76.1 Ų | 76.1 | 51% | 0.509 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.1 | -46 | 177.7 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | E66 V67 C68 L72 R73 L74 | E66-V70 WeakPolarHBondContact O-CG2 3.49Å; E66-V70 PolarHBondContact O-N 2.88Å; V67-V70 PolarHBondContact O-N 2.91Å; C68-V70 PolarHBondContact O-N 3.39Å; V70-L72 PolarHBondContact O-N 2.92Å; V70-R73 PolarHBondContact O-N 2.85Å; V70-L74 HydrophobicContact CG1-CD1 3.8Å; V70-L74 HydrophobicContact CG1-CG 4.19Å; V70-L74 WeakPolarHBondContact O-CG 3.3Å; V70-L74 PolarHBondContact O-N 3.24Å |
| 71 | L | 96.4 | Very high | 92.7 | Very high | 65 Ų | 65 | 75.9 Ų | 75.9 | 34% | 0.34 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -58.4 | -45.9 | 179.2 | 179 | 65.5 | 0 | 0 | 0 | 111.9 | L34 Y38 V67 C68 L74 G75 | L34-L71 HydrophobicContact CB-CD2 4.03Å; L34-L71 HydrophobicContact CD2-CD2 4.47Å; Y38-L71 HydrophobicContact CD2-CD2 4.15Å; Y38-L71 HydrophobicContact CD2-CG 3.91Å; Y38-L71 HydrophobicContact CE2-CG 4.3Å; V67-L71 VanDerWaalsContact O-CB 3.31Å; V67-L71 WeakPolarHBondContact O-CB 3.48Å; V67-L71 PolarHBondContact O-N 2.84Å; C68-L71 PolarHBondContact O-N 3.21Å; L71-L74 PolarHBondContact O-N 3.44Å; L71-G75 PolarHBondContact O-N 2.88Å |
| 72 | L | 95.4 | Very high | 93.8 | Very high | 42 Ų | 42 | 79 Ų | 79 | 22% | 0.22 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 177.8 | -71.9 | 172.4 | 0 | 0 | 0 | 111.6 | Y38 A41 C68 V70 G75 D76 | Y38-L72 HydrophobicContact CD2-CD2 3.84Å; Y38-L72 HydrophobicContact CE2-CD2 4.48Å; Y38-L72 HydrophobicContact CG-CD2 4.38Å; A41-L72 HydrophobicContact CB-CD1 4.44Å; A41-L72 HydrophobicContact CB-CD2 3.59Å; C68-L72 WeakPolarHBondContact O-CB 3.34Å; C68-L72 VanDerWaalsContact O-CG 3.28Å; C68-L72 WeakPolarHBondContact O-CG 3.36Å; C68-L72 PolarHBondContact O-N 2.96Å; V70-L72 PolarHBondContact O-N 2.92Å; L72-G75 PolarHBondContact O-N 3.14Å; L72-D76 PolarHBondContact O-N 3.11Å |
| 73 | R | 96.1 | Very high | 94.1 | Very high | 168 Ų | 168 | 80.3 Ų | 80.3 | 63% | 0.634 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -63.8 | -47.3 | 179 | -179.2 | 177.9 | 173.4 | 170.9 | 2 | 112.1 | T69 V70 G75 D76 E77 | T69-R73 WeakPolarHBondContact O-CB 3.36Å; T69-R73 PolarHBondContact O-N 3.36Å; T69-R73 VanDerWaalsContact O-N 3.12Å; V70-R73 PolarHBondContact O-N 2.85Å; R73-G75 VanDerWaalsContact C-N 3.29Å; R73-G75 PolarHBondContact O-N 3.41Å; R73-D76 WeakPolarHBondContact O-CB 3.33Å; R73-D76 PolarHBondContact O-N 2.87Å; R73-D76 VanDerWaalsContact O-N 3.11Å; R73-E77 WeakPolarHBondContact CG-OE1 3.39Å; R73-E77 IonicContact CZ-OE1 4Å; R73-E77 IonicContact NE-OE1 2.88Å; R73-E77 PolarHBondContact NE-OE1 3.28Å; R73-E77 IonicContact NH2-OE1 3.53Å; R73-E77 WeakPolarHBondContact O-CG 3.43Å; R73-E77 PolarHBondContact O-N 3.44Å |
| 74 | L | 96.7 | Very high | 94.1 | Very high | 80 Ų | 80 | 74.2 Ų | 74.2 | 42% | 0.419 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61 | -41.2 | 177.2 | -71.9 | 175.8 | 0 | 0 | 0 | 111.3 | V70 L71 D76 E77 L78 | V70-L74 HydrophobicContact CG1-CD1 3.8Å; V70-L74 HydrophobicContact CG1-CG 4.19Å; V70-L74 WeakPolarHBondContact O-CG 3.3Å; V70-L74 PolarHBondContact O-N 3.24Å; L71-L74 PolarHBondContact O-N 3.44Å; L74-D76 VanDerWaalsContact C-N 3.28Å; L74-D76 PolarHBondContact O-N 3.47Å; L74-E77 PolarHBondContact O-N 3.27Å; L74-L78 WeakPolarHBondContact O-CB 3.34Å; L74-L78 VanDerWaalsContact O-CG 3.28Å; L74-L78 WeakPolarHBondContact O-CG 3.41Å; L74-L78 PolarHBondContact O-N 2.84Å |
| 75 | G | 95.1 | Very high | 94.2 | Very high | 6 Ų | 6 | 75.6 Ų | 75.6 | 6% | 0.062 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -58.1 | -40.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y38 R42 L71 L72 R73 E79 | Y38-G75 VanDerWaalsContact OH-CA 3.31Å; Y38-G75 WeakPolarHBondContact OH-CA 3.39Å; R42-G75 PolarHBondContact NH2-O 3.06Å; L71-G75 PolarHBondContact O-N 2.88Å; L72-G75 PolarHBondContact O-N 3.14Å; R73-G75 VanDerWaalsContact C-N 3.29Å; R73-G75 PolarHBondContact O-N 3.41Å; G75-E79 WeakPolarHBondContact O-CB 3.31Å; G75-E79 WeakPolarHBondContact O-CG 3.48Å; G75-E79 PolarHBondContact O-N 3.3Å; G75-E79 VanDerWaalsContact O-N 3.17Å |
| 76 | D | 94.7 | Very high | 94.3 | Very high | 53 Ų | 53 | 79.1 Ų | 79.1 | 28% | 0.283 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.3 | -45.3 | 176.2 | -71.3 | -16.1 | 0 | 0 | 0 | 112.1 | R42 R45 L72 R73 L74 E79 Q80 | R42-D76 IonicContact CZ-OD1 3.07Å; R42-D76 IonicContact NH1-OD1 2.64Å; R42-D76 PolarHBondContact NH1-OD1 3.4Å; R42-D76 VanDerWaalsContact NH2-N 3.18Å; R42-D76 IonicContact NH2-OD1 3.65Å; R42-D76 PolarHBondContact NH2-OD1 3.01Å; R45-D76 IonicContact CZ-OD1 3.84Å; R45-D76 IonicContact NH1-OD1 2.69Å; R45-D76 PolarHBondContact NH1-OD1 2.92Å; L72-D76 PolarHBondContact O-N 3.11Å; R73-D76 WeakPolarHBondContact O-CB 3.33Å; R73-D76 PolarHBondContact O-N 2.87Å; R73-D76 VanDerWaalsContact O-N 3.11Å; L74-D76 VanDerWaalsContact C-N 3.28Å; L74-D76 PolarHBondContact O-N 3.47Å; D76-E79 PolarHBondContact O-N 3.12Å; D76-Q80 VanDerWaalsContact O-CG 3.31Å; D76-Q80 WeakPolarHBondContact O-CG 3.28Å; D76-Q80 PolarHBondContact O-N 2.85Å; D76-Q80 VanDerWaalsContact O-N 3.15Å |
| 77 | E | 96.7 | Very high | 94.1 | Very high | 69 Ų | 69 | 78.2 Ų | 78.2 | 32% | 0.322 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 179.2 | -69.5 | 177.6 | -167.4 | 0 | 0 | 111.1 | R73 L74 E79 Q80 I81 | R73-E77 WeakPolarHBondContact CG-OE1 3.39Å; R73-E77 IonicContact CZ-OE1 4Å; R73-E77 IonicContact NE-OE1 2.88Å; R73-E77 PolarHBondContact NE-OE1 3.28Å; R73-E77 IonicContact NH2-OE1 3.53Å; R73-E77 WeakPolarHBondContact O-CG 3.43Å; R73-E77 PolarHBondContact O-N 3.44Å; L74-E77 PolarHBondContact O-N 3.27Å; E77-E79 PolarHBondContact O-N 2.95Å; E77-Q80 WeakPolarHBondContact O-CB 3.45Å; E77-Q80 PolarHBondContact O-N 3.22Å; E77-Q80 VanDerWaalsContact O-N 3.08Å; E77-I81 VanDerWaalsContact O-CG1 3.24Å; E77-I81 WeakPolarHBondContact O-CG1 3.45Å; E77-I81 PolarHBondContact O-N 3.47Å |
| 78 | L | 94.8 | Very high | 93.8 | Very high | 64 Ų | 64 | 79.7 Ų | 79.7 | 34% | 0.335 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 177.2 | -72.8 | 175.9 | 0 | 0 | 0 | 112.5 | L74 Q80 I81 R82 Y86 | L74-L78 WeakPolarHBondContact O-CB 3.34Å; L74-L78 VanDerWaalsContact O-CG 3.28Å; L74-L78 WeakPolarHBondContact O-CG 3.41Å; L74-L78 PolarHBondContact O-N 2.84Å; L78-Q80 PolarHBondContact O-N 2.91Å; L78-I81 PolarHBondContact O-N 2.99Å; L78-R82 PolarHBondContact O-N 3.47Å; L78-Y86 HydrophobicContact CB-CD1 4.26Å; L78-Y86 HydrophobicContact CB-CD2 3.86Å; L78-Y86 HydrophobicContact CB-CE1 4.21Å; L78-Y86 HydrophobicContact CB-CE2 3.82Å; L78-Y86 HydrophobicContact CB-CG 4.1Å; L78-Y86 HydrophobicContact CD1-CE1 3.95Å; L78-Y86 HydrophobicContact CD2-CE2 3.98Å; L78-Y86 HydrophobicContact CG-CE2 4.34Å; L78-Y86 VanDerWaalsContact O-CD2 3.27Å; L78-Y86 WeakPolarHBondContact O-CD2 3.36Å |
| 79 | E | 93.7 | Very high | 93.5 | Very high | 19 Ų | 19 | 81.7 Ų | 81.7 | 9% | 0.089 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.6 | -25.6 | 175.2 | -78.4 | 178.9 | -149 | 0 | 0 | 113.6 | R42 R45 G75 D76 E77 P83 R87 | R42-E79 IonicContact CZ-OE1 2.76Å; R42-E79 IonicContact NE-OE1 3.55Å; R42-E79 PolarHBondContact NE-OE1 3.17Å; R42-E79 IonicContact NH2-OE1 2.76Å; R42-E79 PolarHBondContact NH2-OE1 3.42Å; R42-E79 IonicContact NH2-OE2 3.62Å; R45-E79 IonicContact CZ-OE2 2.7Å; R45-E79 IonicContact NH1-OE2 2.92Å; R45-E79 IonicContact NH2-OE1 3.2Å; R45-E79 IonicContact NH2-OE2 3.74Å; R45-E79 PolarHBondContact NH2-OE2 3.38Å; G75-E79 WeakPolarHBondContact O-CB 3.31Å; G75-E79 WeakPolarHBondContact O-CG 3.48Å; G75-E79 PolarHBondContact O-N 3.3Å; G75-E79 VanDerWaalsContact O-N 3.17Å; D76-E79 PolarHBondContact O-N 3.12Å; E77-E79 PolarHBondContact O-N 2.95Å; E79-P83 WeakPolarHBondContact O-CA 3.5Å; E79-P83 WeakPolarHBondContact O-CG 3.26Å; E79-R87 HydrophobicContact CB-CG 4.42Å; E79-R87 HydrophobicContact CG-CG 4.21Å; E79-R87 IonicContact OE2-NE 3.74Å |
| 80 | Q | 93.4 | Very high | 93.3 | Very high | 138 Ų | 138 | 78.5 Ų | 78.5 | 65% | 0.645 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -82.7 | -43.8 | 175.1 | -70.6 | 174.6 | 14 | 0 | 0 | 112 | D76 E77 L78 | D76-Q80 VanDerWaalsContact O-CG 3.31Å; D76-Q80 WeakPolarHBondContact O-CG 3.28Å; D76-Q80 PolarHBondContact O-N 2.85Å; D76-Q80 VanDerWaalsContact O-N 3.15Å; E77-Q80 WeakPolarHBondContact O-CB 3.45Å; E77-Q80 PolarHBondContact O-N 3.22Å; E77-Q80 VanDerWaalsContact O-N 3.08Å; L78-Q80 PolarHBondContact O-N 2.91Å |
| 81 | I | 97.1 | Very high | 92.9 | Very high | 126 Ų | 126 | 82.8 Ų | 82.8 | 65% | 0.646 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -71.5 | -43.9 | -176 | -63.7 | 166.9 | 0 | 0 | 0 | 111 | E77 L78 | E77-I81 VanDerWaalsContact O-CG1 3.24Å; E77-I81 WeakPolarHBondContact O-CG1 3.45Å; E77-I81 PolarHBondContact O-N 3.47Å; L78-I81 PolarHBondContact O-N 2.99Å |
| 82 | R | 94.4 | Very high | 92.5 | Very high | 142 Ų | 142 | 84.2 Ų | 84.2 | 54% | 0.536 | 41% | 0.407 | S | S | . | . | trans | -132.3 | 72.5 | 179.7 | -69.3 | -167.6 | -78.1 | -160 | -1.7 | 112 | L78 S84 V85 Y86 | L78-R82 PolarHBondContact O-N 3.47Å; R82-S84 PolarHBondContact O-N 3.03Å; R82-V85 HydrophobicContact CB-CB 4.24Å; R82-V85 HydrophobicContact CB-CG2 4.15Å; R82-V85 PolarHBondContact O-N 3Å; R82-Y86 HydrophobicContact CB-CD2 4.15Å; R82-Y86 HydrophobicContact CB-CE2 4.21Å; R82-Y86 WeakPolarHBondContact O-CD2 3.23Å; R82-Y86 PolarHBondContact O-N 3.32Å | ||
| 83 | P | 91.4 | Very high | 92.1 | Very high | 57 Ų | 57 | 86.8 Ų | 86.8 | 37% | 0.37 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -58.4 | -35.2 | -177.7 | -21.7 | 31.4 | 0 | 0 | 0 | 113.3 | E79 V85 R87 | E79-P83 WeakPolarHBondContact O-CA 3.5Å; E79-P83 WeakPolarHBondContact O-CG 3.26Å; P83-V85 PolarHBondContact O-N 3.05Å; P83-R87 VanDerWaalsContact O-CB 3.32Å; P83-R87 WeakPolarHBondContact O-CB 3.41Å; P83-R87 PolarHBondContact O-N 3.37Å |
| 84 | S | 90.4 | Very high | 91.9 | Very high | 85 Ų | 85 | 86.8 Ų | 86.8 | 59% | 0.594 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -65.3 | -19.2 | 177.6 | 55.7 | 0 | 0 | 0 | 0 | 113.4 | R82 Q92 | R82-S84 PolarHBondContact O-N 3.03Å; S84-Q92 PolarHBondContact O-NE2 3.47Å; S84-Q92 PolarHBondContact O-OE1 3.37Å |
| 85 | V | 90 | Very high | 91.5 | Very high | 76 Ų | 76 | 84.7 Ų | 84.7 | 46% | 0.461 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -95.5 | -41.7 | 177.8 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | R82 P83 V89 | R82-V85 HydrophobicContact CB-CB 4.24Å; R82-V85 HydrophobicContact CB-CG2 4.15Å; R82-V85 PolarHBondContact O-N 3Å; P83-V85 PolarHBondContact O-N 3.05Å; V85-V89 VanDerWaalsContact O-CG2 3.23Å; V85-V89 WeakPolarHBondContact O-CG2 3.42Å |
| 86 | Y | 91.2 | Very high | 91.2 | Very high | 94 Ų | 94 | 87.8 Ų | 87.8 | 37% | 0.369 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -100.2 | -9.8 | -167.9 | -65.1 | -78.7 | 0 | 0 | 0 | 114.8 | L78 R82 | L78-Y86 HydrophobicContact CB-CD1 4.26Å; L78-Y86 HydrophobicContact CB-CD2 3.86Å; L78-Y86 HydrophobicContact CB-CE1 4.21Å; L78-Y86 HydrophobicContact CB-CE2 3.82Å; L78-Y86 HydrophobicContact CB-CG 4.1Å; L78-Y86 HydrophobicContact CD1-CE1 3.95Å; L78-Y86 HydrophobicContact CD2-CE2 3.98Å; L78-Y86 HydrophobicContact CG-CE2 4.34Å; L78-Y86 VanDerWaalsContact O-CD2 3.27Å; L78-Y86 WeakPolarHBondContact O-CD2 3.36Å; R82-Y86 HydrophobicContact CB-CD2 4.15Å; R82-Y86 HydrophobicContact CB-CE2 4.21Å; R82-Y86 WeakPolarHBondContact O-CD2 3.23Å; R82-Y86 PolarHBondContact O-N 3.32Å |
| 87 | R | 90.3 | Very high | 90.8 | Very high | 105 Ų | 105 | 90.8 Ų | 90.8 | 40% | 0.396 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -112.2 | 140.7 | 179.9 | -63 | -174.6 | 171.9 | 155.1 | 1 | 112.5 | E79 P83 V89 Q92 | E79-R87 HydrophobicContact CB-CG 4.42Å; E79-R87 HydrophobicContact CG-CG 4.21Å; E79-R87 IonicContact OE2-NE 3.74Å; P83-R87 VanDerWaalsContact O-CB 3.32Å; P83-R87 WeakPolarHBondContact O-CB 3.41Å; P83-R87 PolarHBondContact O-N 3.37Å; R87-V89 PolarHBondContact O-N 3.26Å; R87-Q92 PolarHBondContact O-NE2 2.9Å |
| 88 | N | 87.6 | Confident | 90.5 | Very high | 92 Ų | 92 | 96.2 Ų | 96.2 | 49% | 0.492 | 48% | 0.476 | S | S | . | . | S | Bend | trans | 57.1 | 30.8 | 175.2 | -54.9 | -59.1 | 0 | 0 | 0 | 114.3 | A90 R91 Q92 | N88-A90 VanDerWaalsContact C-N 3.26Å; N88-A90 PolarHBondContact O-N 3.49Å; N88-R91 HydrophobicContact CB-CB 4.15Å; N88-R91 WeakPolarHBondContact O-CA 3.25Å; N88-R91 WeakPolarHBondContact O-CB 3.37Å; N88-R91 PolarHBondContact O-N 2.96Å; N88-Q92 WeakPolarHBondContact O-CG 3.45Å; N88-Q92 PolarHBondContact O-N 3.49Å |
| 89 | V | 88.4 | Confident | 90.5 | Very high | 53 Ų | 53 | 95.7 Ų | 95.7 | 32% | 0.321 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -52.2 | -43.7 | -177.5 | 179 | 0 | 0 | 0 | 0 | 112.1 | V85 R87 R91 Q92 L93 | V85-V89 VanDerWaalsContact O-CG2 3.23Å; V85-V89 WeakPolarHBondContact O-CG2 3.42Å; R87-V89 PolarHBondContact O-N 3.26Å; V89-R91 VanDerWaalsContact C-N 3.25Å; V89-R91 PolarHBondContact O-N 3.09Å; V89-Q92 PolarHBondContact O-N 2.98Å; V89-Q92 VanDerWaalsContact O-N 3.1Å; V89-L93 HydrophobicContact CG1-CD1 3.7Å; V89-L93 HydrophobicContact CG1-CG 4.16Å; V89-L93 WeakPolarHBondContact O-CG 3.35Å; V89-L93 PolarHBondContact O-N 3.39Å |
| 90 | A | 88.8 | Confident | 90.5 | Very high | 31 Ų | 31 | 102.4 Ų | 102.4 | 26% | 0.256 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -56.8 | -38.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | N88 H94 I95 L97 | N88-A90 VanDerWaalsContact C-N 3.26Å; N88-A90 PolarHBondContact O-N 3.49Å; A90-H94 PolarHBondContact O-N 3.47Å; A90-H94 VanDerWaalsContact O-N 3.16Å; A90-I95 HydrophobicContact CB-CB 4.36Å; A90-I95 PolarHBondContact O-N 3.39Å; A90-L97 HydrophobicContact CB-CD1 4.26Å; A90-L97 HydrophobicContact CB-CD2 4.17Å; A90-L97 HydrophobicContact CB-CG 4.42Å |
| 91 | R | 89.3 | Confident | 90.6 | Very high | 173 Ų | 173 | 99.7 Ų | 99.7 | 65% | 0.653 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -70.9 | -41.3 | 176.3 | -168.7 | -174.8 | -61.2 | 142.6 | 5.5 | 111.5 | N88 V89 L93 H94 | N88-R91 HydrophobicContact CB-CB 4.15Å; N88-R91 WeakPolarHBondContact O-CA 3.25Å; N88-R91 WeakPolarHBondContact O-CB 3.37Å; N88-R91 PolarHBondContact O-N 2.96Å; V89-R91 VanDerWaalsContact C-N 3.25Å; V89-R91 PolarHBondContact O-N 3.09Å; R91-L93 VanDerWaalsContact C-N 3.31Å; R91-L93 PolarHBondContact O-N 3.23Å; R91-H94 PolarHBondContact O-N 3.11Å |
| 92 | Q | 87.5 | Confident | 90.3 | Very high | 96 Ų | 96 | 96.3 Ų | 96.3 | 45% | 0.449 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.4 | -35.7 | 179.8 | -62.9 | -177.1 | 35.4 | 0 | 0 | 112.5 | S84 R87 N88 V89 H94 | S84-Q92 PolarHBondContact O-NE2 3.47Å; S84-Q92 PolarHBondContact O-OE1 3.37Å; R87-Q92 PolarHBondContact O-NE2 2.9Å; N88-Q92 WeakPolarHBondContact O-CG 3.45Å; N88-Q92 PolarHBondContact O-N 3.49Å; V89-Q92 PolarHBondContact O-N 2.98Å; V89-Q92 VanDerWaalsContact O-N 3.1Å; Q92-H94 VanDerWaalsContact C-N 3.32Å |
| 93 | L | 87.4 | Confident | 90.2 | Very high | 96 Ų | 96 | 92.4 Ų | 92.4 | 50% | 0.503 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 5.7 | 178 | -60.5 | -178.4 | 0 | 0 | 0 | 113 | V89 R91 I95 V110 | V89-L93 HydrophobicContact CG1-CD1 3.7Å; V89-L93 HydrophobicContact CG1-CG 4.16Å; V89-L93 WeakPolarHBondContact O-CG 3.35Å; V89-L93 PolarHBondContact O-N 3.39Å; R91-L93 VanDerWaalsContact C-N 3.31Å; R91-L93 PolarHBondContact O-N 3.23Å; L93-I95 HydrophobicContact CB-CD1 3.72Å; L93-I95 HydrophobicContact CB-CG1 3.8Å; L93-I95 HydrophobicContact CD1-CD1 3.9Å; L93-I95 HydrophobicContact CG-CD1 4.44Å; L93-I95 PolarHBondContact O-N 2.83Å; L93-I95 VanDerWaalsContact O-N 3.17Å; L93-V110 HydrophobicContact CD1-CG2 3.78Å |
| 94 | H | 90.4 | Very high | 90.4 | Very high | 168 Ų | 168 | 92.7 Ų | 92.7 | 78% | 0.778 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 36.1 | -176.9 | -60.6 | -77.8 | 0 | 0 | 0 | 113.9 | A90 R91 Q92 P96 | A90-H94 PolarHBondContact O-N 3.47Å; A90-H94 VanDerWaalsContact O-N 3.16Å; R91-H94 PolarHBondContact O-N 3.11Å; Q92-H94 VanDerWaalsContact C-N 3.32Å; H94-P96 WeakPolarHBondContact O-CD 3.47Å |
| 95 | I | 89.1 | Confident | 90.5 | Very high | 36 Ų | 36 | 93.8 Ų | 93.8 | 19% | 0.185 | 48% | 0.48 | C | S | . | . | trans | -77.2 | 117.9 | 179.7 | -62.4 | 163.6 | 0 | 0 | 0 | 108.9 | A90 L93 L97 V102 A106 | A90-I95 HydrophobicContact CB-CB 4.36Å; A90-I95 PolarHBondContact O-N 3.39Å; L93-I95 HydrophobicContact CB-CD1 3.72Å; L93-I95 HydrophobicContact CB-CG1 3.8Å; L93-I95 HydrophobicContact CD1-CD1 3.9Å; L93-I95 HydrophobicContact CG-CD1 4.44Å; L93-I95 PolarHBondContact O-N 2.83Å; L93-I95 VanDerWaalsContact O-N 3.17Å; I95-L97 HydrophobicContact CG2-CD2 4.21Å; I95-L97 PolarHBondContact O-N 3.07Å; I95-V102 HydrophobicContact CG2-CG1 4.48Å; I95-A106 HydrophobicContact CD1-CB 3.76Å; I95-A106 HydrophobicContact CG1-CB 4.05Å; I95-A106 HydrophobicContact CG2-CB 3.75Å | ||
| 96 | P | 88.3 | Confident | 90.6 | Very high | 70 Ų | 70 | 91.1 Ų | 91.1 | 46% | 0.455 | 47% | 0.467 | S | S | . | . | trans | -75.9 | 119.4 | 176.3 | 25.5 | -22.9 | 0 | 0 | 0 | 110.2 | H94 Q98 V102 | H94-P96 WeakPolarHBondContact O-CD 3.47Å; P96-Q98 HydrophobicContact CB-CG 4.5Å; P96-Q98 PolarHBondContact O-N 2.78Å; P96-Q98 VanDerWaalsContact O-N 3.13Å; P96-V102 HydrophobicContact CG-CG1 4.01Å; P96-V102 WeakPolarHBondContact O-CG1 3.49Å | ||
| 97 | L | 87.6 | Confident | 90.7 | Very high | 116 Ų | 116 | 93.8 Ų | 93.8 | 61% | 0.607 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 47.1 | 178.4 | -55.2 | 179.1 | 0 | 0 | 0 | 111.7 | A90 I95 V103 | A90-L97 HydrophobicContact CB-CD1 4.26Å; A90-L97 HydrophobicContact CB-CD2 4.17Å; A90-L97 HydrophobicContact CB-CG 4.42Å; I95-L97 HydrophobicContact CG2-CD2 4.21Å; I95-L97 PolarHBondContact O-N 3.07Å; L97-V103 HydrophobicContact CB-CG2 4.45Å; L97-V103 HydrophobicContact CD2-CG2 3.64Å |
| 98 | Q | 90.4 | Very high | 91 | Very high | 183 Ų | 183 | 93.9 Ų | 93.9 | 86% | 0.855 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | -17.5 | -174.3 | -64.8 | -172.8 | -5.9 | 0 | 0 | 113.6 | P96 | P96-Q98 HydrophobicContact CB-CG 4.5Å; P96-Q98 PolarHBondContact O-N 2.78Å; P96-Q98 VanDerWaalsContact O-N 3.13Å |
| 99 | S | 93.3 | Very high | 91.2 | Very high | 53 Ų | 53 | 92.6 Ų | 92.6 | 37% | 0.371 | 49% | 0.49 | S | S | . | . | trans | -145.9 | 145.7 | 179.2 | 69.9 | 0 | 0 | 0 | 0 | 111.4 | V102 V103 | S99-V102 PolarHBondContact O-N 3.41Å; S99-V102 WeakPolarHBondContact OG-CB 3.27Å; S99-V102 WeakPolarHBondContact OG-CG2 3.44Å; S99-V103 WeakPolarHBondContact O-CG2 3.31Å; S99-V103 PolarHBondContact O-N 3.43Å | ||
| 100 | E | 94.4 | Very high | 91.4 | Very high | 160 Ų | 160 | 92.4 Ų | 92.4 | 75% | 0.748 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -57.9 | -42.9 | 178.8 | 178.7 | -176.2 | -175 | 0 | 0 | 113.5 | V102 V103 T104 | E100-V102 VanDerWaalsContact C-N 3.35Å; E100-V102 PolarHBondContact O-N 2.88Å; E100-V103 PolarHBondContact O-N 3.1Å; E100-T104 WeakPolarHBondContact O-CB 3.42Å; E100-T104 PolarHBondContact O-N 2.94Å; E100-T104 PolarHBondContact O-OG1 2.97Å |
| 101 | P | 94.5 | Very high | 91.6 | Very high | 81 Ų | 81 | 92 Ų | 92 | 53% | 0.526 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 178.8 | -23.8 | 35.2 | 0 | 0 | 0 | 112.4 | V103 T104 D105 | P101-V103 PolarHBondContact O-N 2.91Å; P101-T104 PolarHBondContact O-N 3.21Å; P101-D105 WeakPolarHBondContact O-CB 3.37Å; P101-D105 VanDerWaalsContact O-CG 3.31Å; P101-D105 PolarHBondContact O-N 3.46Å |
| 102 | V | 92.1 | Very high | 91.9 | Very high | 55 Ų | 55 | 85.9 Ų | 85.9 | 33% | 0.333 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | -179.7 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | I95 P96 S99 E100 T104 A106 | I95-V102 HydrophobicContact CG2-CG1 4.48Å; P96-V102 HydrophobicContact CG-CG1 4.01Å; P96-V102 WeakPolarHBondContact O-CG1 3.49Å; S99-V102 PolarHBondContact O-N 3.41Å; S99-V102 WeakPolarHBondContact OG-CB 3.27Å; S99-V102 WeakPolarHBondContact OG-CG2 3.44Å; E100-V102 VanDerWaalsContact C-N 3.35Å; E100-V102 PolarHBondContact O-N 2.88Å; V102-T104 VanDerWaalsContact C-N 3.34Å; V102-A106 VanDerWaalsContact O-CB 3.26Å; V102-A106 WeakPolarHBondContact O-CB 3.2Å; V102-A106 PolarHBondContact O-N 3.25Å |
| 103 | V | 92.3 | Very high | 92.1 | Very high | 60 Ų | 60 | 88.3 Ų | 88.3 | 36% | 0.364 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 176.9 | 179 | 0 | 0 | 0 | 0 | 110.8 | L97 S99 E100 P101 F107 | L97-V103 HydrophobicContact CB-CG2 4.45Å; L97-V103 HydrophobicContact CD2-CG2 3.64Å; S99-V103 WeakPolarHBondContact O-CG2 3.31Å; S99-V103 PolarHBondContact O-N 3.43Å; E100-V103 PolarHBondContact O-N 3.1Å; P101-V103 PolarHBondContact O-N 2.91Å; V103-F107 VanDerWaalsContact O-CB 3.25Å; V103-F107 WeakPolarHBondContact O-CB 3.49Å; V103-F107 PolarHBondContact O-N 2.98Å |
| 104 | T | 94.5 | Very high | 92.3 | Very high | 63 Ų | 63 | 89 Ų | 89 | 39% | 0.387 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.2 | -49.6 | 179.8 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | E100 P101 V102 A106 F107 L108 | E100-T104 WeakPolarHBondContact O-CB 3.42Å; E100-T104 PolarHBondContact O-N 2.94Å; E100-T104 PolarHBondContact O-OG1 2.97Å; P101-T104 PolarHBondContact O-N 3.21Å; V102-T104 VanDerWaalsContact C-N 3.34Å; T104-A106 PolarHBondContact O-N 3.39Å; T104-F107 PolarHBondContact O-N 3.48Å; T104-L108 HydrophobicContact CG2-CD1 4.02Å; T104-L108 HydrophobicContact CG2-CG 4.48Å; T104-L108 WeakPolarHBondContact O-CB 3.31Å; T104-L108 VanDerWaalsContact O-CG 3.31Å; T104-L108 WeakPolarHBondContact O-CG 3.35Å; T104-L108 PolarHBondContact O-N 2.9Å |
| 105 | D | 93.3 | Very high | 92.5 | Very high | 108 Ų | 108 | 86 Ų | 86 | 58% | 0.578 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.4 | -44.5 | 179.7 | -70.8 | -16.7 | 0 | 0 | 0 | 111.3 | P101 L108 A109 | P101-D105 WeakPolarHBondContact O-CB 3.37Å; P101-D105 VanDerWaalsContact O-CG 3.31Å; P101-D105 PolarHBondContact O-N 3.46Å; D105-L108 PolarHBondContact O-N 3.14Å; D105-A109 VanDerWaalsContact O-CB 3.3Å; D105-A109 WeakPolarHBondContact O-CB 3.42Å; D105-A109 PolarHBondContact O-N 2.98Å |
| 106 | A | 92.5 | Very high | 92.9 | Very high | 21 Ų | 21 | 88.6 Ų | 88.6 | 17% | 0.174 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -64.4 | -41.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | I95 V102 T104 A109 V110 | I95-A106 HydrophobicContact CD1-CB 3.76Å; I95-A106 HydrophobicContact CG1-CB 4.05Å; I95-A106 HydrophobicContact CG2-CB 3.75Å; V102-A106 VanDerWaalsContact O-CB 3.26Å; V102-A106 WeakPolarHBondContact O-CB 3.2Å; V102-A106 PolarHBondContact O-N 3.25Å; T104-A106 PolarHBondContact O-N 3.39Å; A106-A109 PolarHBondContact O-N 3.3Å; A106-V110 WeakPolarHBondContact O-CG2 3.26Å; A106-V110 PolarHBondContact O-N 3.48Å |
| 107 | F | 93.4 | Very high | 93.1 | Very high | 150 Ų | 150 | 90.2 Ų | 90.2 | 66% | 0.658 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.7 | -47.2 | 176 | 179.4 | -94.2 | 0 | 0 | 0 | 111.5 | V103 T104 V110 A111 | V103-F107 VanDerWaalsContact O-CB 3.25Å; V103-F107 WeakPolarHBondContact O-CB 3.49Å; V103-F107 PolarHBondContact O-N 2.98Å; T104-F107 PolarHBondContact O-N 3.48Å; F107-V110 PolarHBondContact O-N 2.98Å; F107-A111 WeakPolarHBondContact O-CB 3.47Å; F107-A111 PolarHBondContact O-N 3.46Å |
| 108 | L | 95.2 | Very high | 93.5 | Very high | 106 Ų | 106 | 86.6 Ų | 86.6 | 56% | 0.555 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.7 | -39.4 | 178.4 | -69.9 | 175.3 | 0 | 0 | 0 | 112.1 | T104 D105 A111 G112 | T104-L108 HydrophobicContact CG2-CD1 4.02Å; T104-L108 HydrophobicContact CG2-CG 4.48Å; T104-L108 WeakPolarHBondContact O-CB 3.31Å; T104-L108 VanDerWaalsContact O-CG 3.31Å; T104-L108 WeakPolarHBondContact O-CG 3.35Å; T104-L108 PolarHBondContact O-N 2.9Å; D105-L108 PolarHBondContact O-N 3.14Å; L108-A111 PolarHBondContact O-N 2.9Å; L108-G112 PolarHBondContact O-N 3.18Å |
| 109 | A | 93.3 | Very high | 93.7 | Very high | 65 Ų | 65 | 84.8 Ų | 84.8 | 54% | 0.537 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.8 | -46.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | D105 A106 G112 H113 | D105-A109 VanDerWaalsContact O-CB 3.3Å; D105-A109 WeakPolarHBondContact O-CB 3.42Å; D105-A109 PolarHBondContact O-N 2.98Å; A106-A109 PolarHBondContact O-N 3.3Å; A109-G112 PolarHBondContact O-N 2.97Å; A109-H113 WeakPolarHBondContact O-CB 3.34Å; A109-H113 PolarHBondContact O-N 2.87Å |
| 110 | V | 92.1 | Very high | 93.7 | Very high | 49 Ų | 49 | 88 Ų | 88 | 30% | 0.297 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.2 | -45 | 177 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | L93 A106 F107 H113 I114 | L93-V110 HydrophobicContact CD1-CG2 3.78Å; A106-V110 WeakPolarHBondContact O-CG2 3.26Å; A106-V110 PolarHBondContact O-N 3.48Å; F107-V110 PolarHBondContact O-N 2.98Å; V110-H113 PolarHBondContact O-N 3.38Å; V110-I114 HydrophobicContact CG1-CD1 3.79Å; V110-I114 HydrophobicContact CG1-CG1 4.41Å; V110-I114 WeakPolarHBondContact O-CG1 3.33Å; V110-I114 PolarHBondContact O-N 2.95Å |
| 111 | A | 93.6 | Very high | 93.5 | Very high | 22 Ų | 22 | 95 Ų | 95 | 18% | 0.182 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -59.9 | -48.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F107 L108 H113 I114 F115 | F107-A111 WeakPolarHBondContact O-CB 3.47Å; F107-A111 PolarHBondContact O-N 3.46Å; L108-A111 PolarHBondContact O-N 2.9Å; A111-H113 VanDerWaalsContact C-N 3.25Å; A111-H113 PolarHBondContact O-N 3.17Å; A111-I114 PolarHBondContact O-N 2.89Å; A111-F115 HydrophobicContact CB-CD2 4.32Å; A111-F115 HydrophobicContact CB-CE2 4.13Å; A111-F115 WeakPolarHBondContact O-CD2 3.33Å; A111-F115 WeakPolarHBondContact O-CG 3.36Å; A111-F115 PolarHBondContact O-N 2.69Å |
| 112 | G | 94.8 | Very high | 93.5 | Very high | 46 Ų | 46 | 95.7 Ų | 95.7 | 47% | 0.474 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.2 | -37.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L108 A109 S116 | L108-G112 PolarHBondContact O-N 3.18Å; A109-G112 PolarHBondContact O-N 2.97Å; G112-S116 WeakPolarHBondContact O-CB 3.18Å; G112-S116 PolarHBondContact O-N 2.91Å; G112-S116 VanDerWaalsContact O-N 3.07Å |
| 113 | H | 92.1 | Very high | 93.5 | Very high | 147 Ų | 147 | 97.8 Ų | 97.8 | 68% | 0.681 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -68.4 | -45.8 | 175.3 | -168.8 | 64.9 | 0 | 0 | 0 | 112.6 | A109 V110 A111 F115 S116 | A109-H113 WeakPolarHBondContact O-CB 3.34Å; A109-H113 PolarHBondContact O-N 2.87Å; V110-H113 PolarHBondContact O-N 3.38Å; A111-H113 VanDerWaalsContact C-N 3.25Å; A111-H113 PolarHBondContact O-N 3.17Å; H113-F115 VanDerWaalsContact C-N 3.29Å; H113-F115 PolarHBondContact O-N 3.45Å; H113-S116 WeakPolarHBondContact O-CB 3.23Å; H113-S116 PolarHBondContact O-N 2.91Å; H113-S116 PolarHBondContact O-OG 3.15Å |
| 114 | I | 91.4 | Very high | 93.6 | Very high | 110 Ų | 110 | 99.9 Ų | 99.9 | 56% | 0.564 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -58.2 | -43.1 | 177.9 | -70.7 | 168.4 | 0 | 0 | 0 | 110.9 | V110 A111 | V110-I114 HydrophobicContact CG1-CD1 3.79Å; V110-I114 HydrophobicContact CG1-CG1 4.41Å; V110-I114 WeakPolarHBondContact O-CG1 3.33Å; V110-I114 PolarHBondContact O-N 2.95Å; A111-I114 PolarHBondContact O-N 2.89Å |
| 115 | F | 95.3 | Very high | 93.6 | Very high | 105 Ų | 105 | 102.1 Ų | 102.1 | 46% | 0.461 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -86.6 | -2.2 | -177.7 | -58.3 | -54.8 | 0 | 0 | 0 | 114.3 | A111 H113 A117 G118 I119 | A111-F115 HydrophobicContact CB-CD2 4.32Å; A111-F115 HydrophobicContact CB-CE2 4.13Å; A111-F115 WeakPolarHBondContact O-CD2 3.33Å; A111-F115 WeakPolarHBondContact O-CG 3.36Å; A111-F115 PolarHBondContact O-N 2.69Å; H113-F115 VanDerWaalsContact C-N 3.29Å; H113-F115 PolarHBondContact O-N 3.45Å; F115-A117 PolarHBondContact O-N 3.26Å; F115-G118 PolarHBondContact O-N 2.97Å; F115-I119 HydrophobicContact CB-CG1 4.46Å; F115-I119 HydrophobicContact CD1-CG1 4.05Å; F115-I119 HydrophobicContact CD1-CG2 4.49Å; F115-I119 HydrophobicContact CG-CG1 4.49Å |
| 116 | S | 96.1 | Very high | 93.6 | Very high | 90 Ų | 90 | 101.7 Ų | 101.7 | 63% | 0.629 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -27 | -177.4 | 66.6 | 0 | 0 | 0 | 0 | 113.7 | G112 H113 | G112-S116 WeakPolarHBondContact O-CB 3.18Å; G112-S116 PolarHBondContact O-N 2.91Å; G112-S116 VanDerWaalsContact O-N 3.07Å; H113-S116 WeakPolarHBondContact O-CB 3.23Å; H113-S116 PolarHBondContact O-N 2.91Å; H113-S116 PolarHBondContact O-OG 3.15Å |
| 117 | A | 93.8 | Very high | 93.6 | Very high | 104 Ų | 104 | 107.1 Ų | 107.1 | 86% | 0.86 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | 7.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | F115 | F115-A117 PolarHBondContact O-N 3.26Š|
| 118 | G | 95.3 | Very high | 93.7 | Very high | 41 Ų | 41 | 104 Ų | 104 | 42% | 0.423 | 59% | 0.593 | S | S | . | * | trans | 114.5 | 173.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F115 | F115-G118 PolarHBondContact O-N 2.97Š| ||
| 119 | I | 94.6 | Very high | 93.5 | Very high | 144 Ų | 144 | 103.8 Ų | 103.8 | 74% | 0.738 | 60% | 0.596 | S | S | * | * | trans | -109.7 | 128.3 | -177.3 | -57.6 | 171.2 | 0 | 0 | 0 | 108.7 | F115 | F115-I119 HydrophobicContact CB-CG1 4.46Å; F115-I119 HydrophobicContact CD1-CG1 4.05Å; F115-I119 HydrophobicContact CD1-CG2 4.49Å; F115-I119 HydrophobicContact CG-CG1 4.49Å | ||
| 120 | T | 94 | Very high | 93.6 | Very high | 122 Ų | 122 | 107.1 Ų | 107.1 | 75% | 0.748 | 60% | 0.601 | S | S | * | * | trans | -119.6 | 166.7 | 170.3 | 70.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 121 | W | 89.7 | Confident | 93.7 | Very high | 305 Ų | 305 | 112.4 Ų | 112.4 | 100% | 1.155 | 63% | 0.629 | S | S | * | * | trans | -65.9 | 0 | 160.2 | -71.1 | 107.2 | 0 | 0 | 0 | 111.4 |
Retrieved 121 of 121 residues in 74.8 ms
(Link to these results)