| 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 | 52.7 | Low | 71.8 | Confident | 156 Ų | 156 | 107.2 Ų | 107.2 | 77% | 0.768 | 57% | 0.574 | S | S | * | * | 0 | -74.8 | 0 | -77.9 | -70.3 | -156.6 | 0 | 0 | 113.5 | E4 R5 | M1-E4 PolarHBondContact N-OE2 3.38Å; M1-R5 WeakPolarHBondContact O-CG 3.37Å; M1-R5 PolarHBondContact O-N 3.12Å; M1-R5 VanDerWaalsContact O-N 3.13Å | |||
| 2 | G | 67 | Low | 72.2 | Confident | 54 Ų | 54 | 103.7 Ų | 103.7 | 56% | 0.557 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.3 | -48.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | R5 V6 | G2-R5 PolarHBondContact O-N 2.83Å; G2-V6 WeakPolarHBondContact O-CG2 3.41Å; G2-V6 PolarHBondContact O-N 3.46Å |
| 3 | T | 66.1 | Low | 72.7 | Confident | 109 Ų | 109 | 103.5 Ų | 103.5 | 67% | 0.669 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.8 | -38.2 | -179.4 | 47.4 | 0 | 0 | 0 | 0 | 113.5 | V6 K7 | T3-V6 PolarHBondContact O-N 2.9Å; T3-K7 WeakPolarHBondContact O-CG 3.44Å; T3-K7 PolarHBondContact O-N 3.39Å |
| 4 | E | 71.1 | Confident | 73.3 | Confident | 127 Ų | 127 | 106.9 Ų | 106.9 | 59% | 0.593 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66 | -39.1 | 174.4 | -70 | 161.7 | 141.3 | 0 | 0 | 112 | M1 V6 K7 A8 | M1-E4 PolarHBondContact N-OE2 3.38Å; E4-V6 VanDerWaalsContact C-N 3.35Å; E4-K7 PolarHBondContact O-N 2.75Å; E4-A8 WeakPolarHBondContact O-CB 3.48Å; E4-A8 PolarHBondContact O-N 2.81Å |
| 5 | R | 70.6 | Confident | 73.8 | Confident | 170 Ų | 170 | 103.7 Ų | 103.7 | 64% | 0.642 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.6 | -40.1 | 175.8 | -74.8 | -177.7 | -172.9 | -170.7 | 3 | 111.5 | M1 G2 A8 V9 | M1-R5 WeakPolarHBondContact O-CG 3.37Å; M1-R5 PolarHBondContact O-N 3.12Å; M1-R5 VanDerWaalsContact O-N 3.13Å; G2-R5 PolarHBondContact O-N 2.83Å; R5-A8 PolarHBondContact O-N 3.28Å; R5-V9 WeakPolarHBondContact O-CB 3.4Å; R5-V9 VanDerWaalsContact O-CG2 3.23Å; R5-V9 WeakPolarHBondContact O-CG2 3.27Å; R5-V9 PolarHBondContact O-N 2.88Å |
| 6 | V | 76.1 | Confident | 74.2 | Confident | 96 Ų | 96 | 102 Ų | 102 | 58% | 0.582 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.1 | -44 | 174.5 | 177.1 | 0 | 0 | 0 | 0 | 110.4 | G2 T3 E4 A8 V9 T10 | G2-V6 WeakPolarHBondContact O-CG2 3.41Å; G2-V6 PolarHBondContact O-N 3.46Å; T3-V6 PolarHBondContact O-N 2.9Å; E4-V6 VanDerWaalsContact C-N 3.35Å; V6-A8 PolarHBondContact O-N 3.32Å; V6-V9 PolarHBondContact O-N 2.81Å; V6-T10 PolarHBondContact O-N 2.94Å; V6-T10 PolarHBondContact O-OG1 3.36Å; V6-T10 VanDerWaalsContact O-OG1 3.12Å |
| 7 | K | 74 | Confident | 74.7 | Confident | 141 Ų | 141 | 100.9 Ų | 100.9 | 61% | 0.613 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -58.9 | -46.4 | 175.1 | -75.8 | -176.2 | 177.9 | -173.5 | 0 | 112.7 | T3 E4 V9 T10 E11 | T3-K7 WeakPolarHBondContact O-CG 3.44Å; T3-K7 PolarHBondContact O-N 3.39Å; E4-K7 PolarHBondContact O-N 2.75Å; K7-V9 VanDerWaalsContact C-N 3.32Å; K7-V9 PolarHBondContact O-N 3Å; K7-T10 VanDerWaalsContact C-OG1 3.32Å; K7-T10 VanDerWaalsContact CA-OG1 3.26Å; K7-T10 WeakPolarHBondContact CA-OG1 3.41Å; K7-T10 PolarHBondContact O-N 3.16Å; K7-T10 PolarHBondContact O-OG1 2.78Å; K7-E11 WeakPolarHBondContact O-CG 3.05Å; K7-E11 PolarHBondContact O-N 3.34Å |
| 8 | A | 77 | Confident | 75.2 | Confident | 45 Ų | 45 | 102.4 Ų | 102.4 | 37% | 0.372 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.9 | -37.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E4 R5 V6 E11 L12 | E4-A8 WeakPolarHBondContact O-CB 3.48Å; E4-A8 PolarHBondContact O-N 2.81Å; R5-A8 PolarHBondContact O-N 3.28Å; V6-A8 PolarHBondContact O-N 3.32Å; A8-E11 PolarHBondContact O-N 2.78Å; A8-L12 WeakPolarHBondContact O-CB 3.24Å; A8-L12 WeakPolarHBondContact O-CG 3.36Å; A8-L12 PolarHBondContact O-N 3.44Å |
| 9 | V | 75.6 | Confident | 75.5 | Confident | 82 Ų | 82 | 103.4 Ų | 103.4 | 50% | 0.497 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.9 | -40.7 | 174.7 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | R5 V6 K7 L12 L13 | R5-V9 WeakPolarHBondContact O-CB 3.4Å; R5-V9 VanDerWaalsContact O-CG2 3.23Å; R5-V9 WeakPolarHBondContact O-CG2 3.27Å; R5-V9 PolarHBondContact O-N 2.88Å; V6-V9 PolarHBondContact O-N 2.81Å; K7-V9 VanDerWaalsContact C-N 3.32Å; K7-V9 PolarHBondContact O-N 3Å; V9-L12 PolarHBondContact O-N 3.15Å; V9-L13 HydrophobicContact CG1-CD1 4Å; V9-L13 WeakPolarHBondContact O-CG 3.34Å; V9-L13 PolarHBondContact O-N 3Å |
| 10 | T | 79.4 | Confident | 76 | Confident | 64 Ų | 64 | 102.7 Ų | 102.7 | 39% | 0.393 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.5 | -39.1 | 174.7 | 47.8 | 0 | 0 | 0 | 0 | 112.3 | V6 K7 L13 I14 | V6-T10 PolarHBondContact O-N 2.94Å; V6-T10 PolarHBondContact O-OG1 3.36Å; V6-T10 VanDerWaalsContact O-OG1 3.12Å; K7-T10 VanDerWaalsContact C-OG1 3.32Å; K7-T10 VanDerWaalsContact CA-OG1 3.26Å; K7-T10 WeakPolarHBondContact CA-OG1 3.41Å; K7-T10 PolarHBondContact O-N 3.16Å; K7-T10 PolarHBondContact O-OG1 2.78Å; T10-L13 PolarHBondContact O-N 3.47Å; T10-I14 VanDerWaalsContact O-CG1 3.28Å; T10-I14 WeakPolarHBondContact O-CG1 3.36Å; T10-I14 PolarHBondContact O-N 3.15Å |
| 11 | E | 80.5 | Confident | 76.3 | Confident | 135 Ų | 135 | 99.8 Ų | 99.8 | 63% | 0.631 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.1 | -40.7 | 174.7 | -76.3 | 172.9 | -176.8 | 0 | 0 | 111.7 | K7 A8 L13 I14 G15 | K7-E11 WeakPolarHBondContact O-CG 3.05Å; K7-E11 PolarHBondContact O-N 3.34Å; A8-E11 PolarHBondContact O-N 2.78Å; E11-L13 VanDerWaalsContact C-N 3.33Å; E11-L13 PolarHBondContact O-N 3.25Å; E11-I14 PolarHBondContact O-N 3.12Å; E11-G15 PolarHBondContact O-N 2.71Å |
| 12 | L | 76.9 | Confident | 78 | Confident | 65 Ų | 65 | 97 Ų | 97 | 34% | 0.34 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 173.8 | -79.5 | 167.8 | 0 | 0 | 0 | 112.1 | A8 V9 H16 L21 I24 | A8-L12 WeakPolarHBondContact O-CB 3.24Å; A8-L12 WeakPolarHBondContact O-CG 3.36Å; A8-L12 PolarHBondContact O-N 3.44Å; V9-L12 PolarHBondContact O-N 3.15Å; L12-H16 WeakPolarHBondContact O-CB 3.48Å; L12-H16 PolarHBondContact O-N 3.41Å; L12-H16 PolarHBondContact O-ND1 3.38Å; L12-H16 VanDerWaalsContact O-ND1 3.09Å; L12-L21 HydrophobicContact CB-CD1 4.17Å; L12-I24 HydrophobicContact CD2-CD1 4.26Å |
| 13 | L | 78.7 | Confident | 78.9 | Confident | 101 Ų | 101 | 103.2 Ų | 103.2 | 53% | 0.529 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.4 | -33.7 | 177.6 | -81.2 | 158.1 | 0 | 0 | 0 | 113.3 | V9 T10 E11 L21 | V9-L13 HydrophobicContact CG1-CD1 4Å; V9-L13 WeakPolarHBondContact O-CG 3.34Å; V9-L13 PolarHBondContact O-N 3Å; T10-L13 PolarHBondContact O-N 3.47Å; E11-L13 VanDerWaalsContact C-N 3.33Å; E11-L13 PolarHBondContact O-N 3.25Å; L13-L21 HydrophobicContact CD2-CD2 3.48Å; L13-L21 VanDerWaalsContact CD2-CD2 3.48Å; L13-L21 HydrophobicContact CG-CD2 4.24Å |
| 14 | I | 81.2 | Confident | 79.8 | Confident | 151 Ų | 151 | 99.9 Ų | 99.9 | 77% | 0.774 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -77.7 | -39.5 | 179.2 | -66.1 | 163.6 | 0 | 0 | 0 | 111 | T10 E11 | T10-I14 VanDerWaalsContact O-CG1 3.28Å; T10-I14 WeakPolarHBondContact O-CG1 3.36Å; T10-I14 PolarHBondContact O-N 3.15Å; E11-I14 PolarHBondContact O-N 3.12Å |
| 15 | G | 80.8 | Confident | 80.6 | Confident | 60 Ų | 60 | 96.8 Ų | 96.8 | 62% | 0.619 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -86.3 | -16.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | E11 | E11-G15 PolarHBondContact O-N 2.71Å |
| 16 | H | 79.4 | Confident | 81.4 | Confident | 76 Ų | 76 | 97 Ų | 97 | 35% | 0.352 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -120.6 | 143.5 | -170.9 | -61.5 | 77.2 | 0 | 0 | 0 | 112 | L12 E20 | L12-H16 WeakPolarHBondContact O-CB 3.48Å; L12-H16 PolarHBondContact O-N 3.41Å; L12-H16 PolarHBondContact O-ND1 3.38Å; L12-H16 VanDerWaalsContact O-ND1 3.09Å; H16-E20 HydrophobicContact CB-CB 4.06Å |
| 17 | T | 82.5 | Confident | 82.1 | Confident | 83 Ų | 83 | 97.9 Ų | 97.9 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | trans | -67 | 157.3 | 171.5 | 59.7 | 0 | 0 | 0 | 0 | 110.7 | D19 E20 L21 | T17-D19 PolarHBondContact O-N 3.18Å; T17-D19 VanDerWaalsContact O-N 3.17Å; T17-E20 PolarHBondContact N-OE2 3.42Å; T17-E20 WeakPolarHBondContact O-CB 3Å; T17-E20 PolarHBondContact O-N 2.94Å; T17-E20 VanDerWaalsContact OG1-CG 3.26Å; T17-E20 WeakPolarHBondContact OG1-CG 3.44Å; T17-E20 PolarHBondContact OG1-OE2 3.12Å; T17-L21 PolarHBondContact O-N 2.92Å | ||
| 18 | I | 83.2 | Confident | 82.7 | Confident | 129 Ų | 129 | 96.3 Ų | 96.3 | 66% | 0.662 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -56.3 | -37.4 | -176.1 | -62.5 | 170.6 | 0 | 0 | 0 | 111.6 | L21 H22 | I18-L21 PolarHBondContact O-N 3.43Å; I18-H22 PolarHBondContact O-N 2.81Å; I18-H22 PolarHBondContact O-ND1 2.81Å |
| 19 | D | 82.6 | Confident | 83.5 | Confident | 120 Ų | 120 | 102.8 Ų | 102.8 | 64% | 0.642 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.7 | -38.9 | 178.3 | -71.7 | -29.2 | 0 | 0 | 0 | 112.9 | T17 H22 R23 | T17-D19 PolarHBondContact O-N 3.18Å; T17-D19 VanDerWaalsContact O-N 3.17Å; D19-H22 PolarHBondContact O-N 2.89Å; D19-R23 PolarHBondContact O-N 2.64Å |
| 20 | E | 84.1 | Confident | 84.3 | Confident | 90 Ų | 90 | 101.9 Ų | 101.9 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 173.8 | -72.5 | 167.6 | 157.6 | 0 | 0 | 110.9 | H16 T17 H22 R23 I24 | H16-E20 HydrophobicContact CB-CB 4.06Å; T17-E20 PolarHBondContact N-OE2 3.42Å; T17-E20 WeakPolarHBondContact O-CB 3Å; T17-E20 PolarHBondContact O-N 2.94Å; T17-E20 VanDerWaalsContact OG1-CG 3.26Å; T17-E20 WeakPolarHBondContact OG1-CG 3.44Å; T17-E20 PolarHBondContact OG1-OE2 3.12Å; E20-H22 VanDerWaalsContact C-N 3.34Å; E20-H22 PolarHBondContact O-N 3.27Å; E20-R23 WeakPolarHBondContact O-CB 3.48Å; E20-R23 PolarHBondContact O-N 3.45Å; E20-R23 VanDerWaalsContact O-N 3.14Å; E20-I24 WeakPolarHBondContact O-CG1 3.33Å; E20-I24 PolarHBondContact O-N 3.45Å |
| 21 | L | 83.6 | Confident | 84.9 | Confident | 41 Ų | 41 | 102.2 Ų | 102.2 | 22% | 0.215 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 176.7 | -162.2 | 77.1 | 0 | 0 | 0 | 111.4 | L12 L13 T17 I18 R23 I24 V25 | L12-L21 HydrophobicContact CB-CD1 4.17Å; L13-L21 HydrophobicContact CD2-CD2 3.48Å; L13-L21 VanDerWaalsContact CD2-CD2 3.48Å; L13-L21 HydrophobicContact CG-CD2 4.24Å; T17-L21 PolarHBondContact O-N 2.92Å; I18-L21 PolarHBondContact O-N 3.43Å; L21-R23 VanDerWaalsContact C-N 3.32Å; L21-R23 PolarHBondContact O-N 3.42Å; L21-I24 PolarHBondContact O-N 3.3Å; L21-V25 WeakPolarHBondContact O-CB 3.46Å; L21-V25 VanDerWaalsContact O-CG2 3.28Å; L21-V25 WeakPolarHBondContact O-CG2 3.47Å; L21-V25 PolarHBondContact O-N 2.78Å |
| 22 | H | 86.8 | Confident | 85.5 | Confident | 97 Ų | 97 | 100.3 Ų | 100.3 | 45% | 0.449 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.8 | -39.8 | 173.3 | -75.6 | 149.2 | 0 | 0 | 0 | 112.6 | I18 D19 E20 R26 | I18-H22 PolarHBondContact O-N 2.81Å; I18-H22 PolarHBondContact O-ND1 2.81Å; D19-H22 PolarHBondContact O-N 2.89Å; E20-H22 VanDerWaalsContact C-N 3.34Å; E20-H22 PolarHBondContact O-N 3.27Å; H22-R26 WeakPolarHBondContact O-CG 3.39Å; H22-R26 PolarHBondContact O-N 2.8Å |
| 23 | R | 86.2 | Confident | 86.1 | Confident | 186 Ų | 186 | 101.2 Ų | 101.2 | 70% | 0.702 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64 | -47 | 174.8 | -77.2 | -179.7 | 173 | 177.3 | -0.6 | 111.6 | D19 E20 L21 V25 R26 Q27 | D19-R23 PolarHBondContact O-N 2.64Å; E20-R23 WeakPolarHBondContact O-CB 3.48Å; E20-R23 PolarHBondContact O-N 3.45Å; E20-R23 VanDerWaalsContact O-N 3.14Å; L21-R23 VanDerWaalsContact C-N 3.32Å; L21-R23 PolarHBondContact O-N 3.42Å; R23-V25 VanDerWaalsContact C-N 3.33Å; R23-V25 PolarHBondContact O-N 3.38Å; R23-R26 PolarHBondContact O-N 3.26Å; R23-Q27 WeakPolarHBondContact O-CB 3.45Å; R23-Q27 PolarHBondContact O-N 2.8Å |
| 24 | I | 85.5 | Confident | 86.7 | Confident | 39 Ų | 39 | 102.4 Ų | 102.4 | 20% | 0.2 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 178.1 | -66.9 | 166.9 | 0 | 0 | 0 | 110.6 | L12 E20 L21 R26 Q27 K28 | L12-I24 HydrophobicContact CD2-CD1 4.26Å; E20-I24 WeakPolarHBondContact O-CG1 3.33Å; E20-I24 PolarHBondContact O-N 3.45Å; L21-I24 PolarHBondContact O-N 3.3Å; I24-R26 PolarHBondContact O-N 2.95Å; I24-Q27 PolarHBondContact O-N 2.81Å; I24-K28 HydrophobicContact CG2-CG 4.29Å; I24-K28 WeakPolarHBondContact O-CB 3.31Å; I24-K28 WeakPolarHBondContact O-CG 3.28Å; I24-K28 PolarHBondContact O-N 3.44Å |
| 25 | V | 87.3 | Confident | 87.2 | Confident | 61 Ų | 61 | 101.7 Ų | 101.7 | 37% | 0.37 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 177.4 | 170 | 0 | 0 | 0 | 0 | 111.5 | L21 R23 K28 R29 | L21-V25 WeakPolarHBondContact O-CB 3.46Å; L21-V25 VanDerWaalsContact O-CG2 3.28Å; L21-V25 WeakPolarHBondContact O-CG2 3.47Å; L21-V25 PolarHBondContact O-N 2.78Å; R23-V25 VanDerWaalsContact C-N 3.33Å; R23-V25 PolarHBondContact O-N 3.38Å; V25-K28 PolarHBondContact O-N 3.45Å; V25-R29 WeakPolarHBondContact O-CB 3.49Å; V25-R29 WeakPolarHBondContact O-CG 3.49Å; V25-R29 PolarHBondContact O-N 3.23Å |
| 26 | R | 88.7 | Confident | 87.6 | Confident | 175 Ų | 175 | 103.7 Ų | 103.7 | 66% | 0.66 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.5 | -44.4 | 175.6 | -73 | 178.1 | -159.5 | 161 | 6.9 | 111.3 | H22 R23 I24 R29 A30 | H22-R26 WeakPolarHBondContact O-CG 3.39Å; H22-R26 PolarHBondContact O-N 2.8Å; R23-R26 PolarHBondContact O-N 3.26Å; I24-R26 PolarHBondContact O-N 2.95Å; R26-R29 PolarHBondContact O-N 3.29Å; R26-A30 PolarHBondContact O-N 2.9Å |
| 27 | Q | 89.4 | Confident | 88 | Confident | 114 Ų | 114 | 103.1 Ų | 103.1 | 53% | 0.533 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.5 | -48 | 176.8 | -176.6 | -178.4 | -8.7 | 0 | 0 | 111.2 | R23 I24 R29 A30 E31 | R23-Q27 WeakPolarHBondContact O-CB 3.45Å; R23-Q27 PolarHBondContact O-N 2.8Å; I24-Q27 PolarHBondContact O-N 2.81Å; Q27-R29 VanDerWaalsContact C-N 3.33Å; Q27-R29 PolarHBondContact O-N 2.8Å; Q27-A30 WeakPolarHBondContact O-CB 3.34Å; Q27-A30 PolarHBondContact O-N 3.48Å; Q27-A30 VanDerWaalsContact O-N 3.15Å; Q27-E31 PolarHBondContact NE2-OE1 3.49Å; Q27-E31 WeakPolarHBondContact O-CG 3.28Å; Q27-E31 PolarHBondContact O-N 3.22Å |
| 28 | K | 87.9 | Confident | 88.2 | Confident | 108 Ų | 108 | 104.7 Ų | 104.7 | 47% | 0.47 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.5 | -34.6 | 179.1 | -69.2 | -69.6 | 163.2 | -154.5 | 0 | 112.6 | I24 V25 E31 V32 | I24-K28 HydrophobicContact CG2-CG 4.29Å; I24-K28 WeakPolarHBondContact O-CB 3.31Å; I24-K28 WeakPolarHBondContact O-CG 3.28Å; I24-K28 PolarHBondContact O-N 3.44Å; V25-K28 PolarHBondContact O-N 3.45Å; K28-E31 WeakPolarHBondContact CD-OE2 3.14Å; K28-E31 IonicContact NZ-OE1 3.36Å; K28-E31 PolarHBondContact NZ-OE1 2.97Å; K28-E31 IonicContact NZ-OE2 2.71Å; K28-E31 PolarHBondContact NZ-OE2 3.37Å; K28-E31 PolarHBondContact O-N 3.41Å; K28-V32 WeakPolarHBondContact O-CB 3.35Å; K28-V32 VanDerWaalsContact O-CG2 3.23Å; K28-V32 WeakPolarHBondContact O-CG2 3.28Å; K28-V32 PolarHBondContact O-N 2.61Å |
| 29 | R | 93.2 | Very high | 88.4 | Confident | 182 Ų | 182 | 103.8 Ų | 103.8 | 69% | 0.687 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.3 | -42.1 | 171.5 | -75.9 | -177.7 | -172.4 | 175.9 | 3.4 | 112 | V25 R26 Q27 V32 E33 | V25-R29 WeakPolarHBondContact O-CB 3.49Å; V25-R29 WeakPolarHBondContact O-CG 3.49Å; V25-R29 PolarHBondContact O-N 3.23Å; R26-R29 PolarHBondContact O-N 3.29Å; Q27-R29 VanDerWaalsContact C-N 3.33Å; Q27-R29 PolarHBondContact O-N 2.8Å; R29-V32 PolarHBondContact O-N 2.82Å; R29-E33 PolarHBondContact O-N 3Å |
| 30 | A | 91.6 | Very high | 88.6 | Confident | 62 Ų | 62 | 104.5 Ų | 104.5 | 51% | 0.512 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | R26 Q27 V32 E33 H34 | R26-A30 PolarHBondContact O-N 2.9Å; Q27-A30 WeakPolarHBondContact O-CB 3.34Å; Q27-A30 PolarHBondContact O-N 3.48Å; Q27-A30 VanDerWaalsContact O-N 3.15Å; A30-V32 VanDerWaalsContact C-N 3.33Å; A30-V32 PolarHBondContact O-N 2.68Å; A30-E33 PolarHBondContact O-N 2.82Å; A30-H34 WeakPolarHBondContact O-CB 3.25Å; A30-H34 PolarHBondContact O-N 2.93Å |
| 31 | E | 92.7 | Very high | 88.6 | Confident | 71 Ų | 71 | 106.7 Ų | 106.7 | 33% | 0.332 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.4 | -38.7 | 174.4 | -72.8 | 174.4 | -159.6 | 0 | 0 | 112.2 | Q27 K28 K35 | Q27-E31 PolarHBondContact NE2-OE1 3.49Å; Q27-E31 WeakPolarHBondContact O-CG 3.28Å; Q27-E31 PolarHBondContact O-N 3.22Å; K28-E31 WeakPolarHBondContact CD-OE2 3.14Å; K28-E31 IonicContact NZ-OE1 3.36Å; K28-E31 PolarHBondContact NZ-OE1 2.97Å; K28-E31 IonicContact NZ-OE2 2.71Å; K28-E31 PolarHBondContact NZ-OE2 3.37Å; K28-E31 PolarHBondContact O-N 3.41Å; E31-K35 WeakPolarHBondContact O-CB 3.15Å; E31-K35 WeakPolarHBondContact O-CG 3.47Å; E31-K35 PolarHBondContact O-N 2.87Å |
| 32 | V | 92.1 | Very high | 88.7 | Confident | 95 Ų | 95 | 108.9 Ų | 108.9 | 58% | 0.576 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.1 | -43.9 | 176.5 | 167.6 | 0 | 0 | 0 | 0 | 111.2 | K28 R29 A30 K35 K36 | K28-V32 WeakPolarHBondContact O-CB 3.35Å; K28-V32 VanDerWaalsContact O-CG2 3.23Å; K28-V32 WeakPolarHBondContact O-CG2 3.28Å; K28-V32 PolarHBondContact O-N 2.61Å; R29-V32 PolarHBondContact O-N 2.82Å; A30-V32 VanDerWaalsContact C-N 3.33Å; A30-V32 PolarHBondContact O-N 2.68Å; V32-K35 PolarHBondContact O-N 3.43Å; V32-K36 WeakPolarHBondContact O-CB 3.46Å; V32-K36 PolarHBondContact O-N 3.3Å |
| 33 | E | 91.2 | Very high | 88.7 | Confident | 85 Ų | 85 | 107.6 Ų | 107.6 | 40% | 0.397 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.4 | -41.4 | 178.6 | -157 | 62.9 | -155.2 | 0 | 0 | 110.8 | R29 A30 K35 K36 D37 R40 | R29-E33 PolarHBondContact O-N 3Å; A30-E33 PolarHBondContact O-N 2.82Å; E33-K35 PolarHBondContact O-N 3.49Å; E33-K36 WeakPolarHBondContact O-CB 3.26Å; E33-K36 PolarHBondContact O-N 2.91Å; E33-K36 VanDerWaalsContact O-N 3.12Å; E33-K36 IonicContact OE1-NZ 3.53Å; E33-D37 PolarHBondContact O-N 3.3Å; E33-R40 IonicContact OE1-NH2 3.65Å |
| 34 | H | 91.1 | Very high | 88.8 | Confident | 125 Ų | 125 | 100.3 Ų | 100.3 | 58% | 0.579 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -57.4 | -47.2 | 172.4 | -174.7 | -69.2 | 0 | 0 | 0 | 111.8 | A30 K36 D37 E38 | A30-H34 WeakPolarHBondContact O-CB 3.25Å; A30-H34 PolarHBondContact O-N 2.93Å; H34-K36 VanDerWaalsContact C-N 3.29Å; H34-K36 PolarHBondContact O-N 3.18Å; H34-D37 PolarHBondContact O-N 3.27Å; H34-E38 IonicContact ND1-OE2 3.99Å; H34-E38 WeakPolarHBondContact O-CB 3.29Å; H34-E38 PolarHBondContact O-N 3.41Å |
| 35 | K | 90.5 | Very high | 88.7 | Confident | 137 Ų | 137 | 104.3 Ų | 104.3 | 60% | 0.596 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.3 | -32.5 | 177.1 | -80.5 | -170 | 175.5 | -175.4 | 0 | 112.8 | E31 V32 E33 L39 | E31-K35 WeakPolarHBondContact O-CB 3.15Å; E31-K35 WeakPolarHBondContact O-CG 3.47Å; E31-K35 PolarHBondContact O-N 2.87Å; V32-K35 PolarHBondContact O-N 3.43Å; E33-K35 PolarHBondContact O-N 3.49Å; K35-L39 WeakPolarHBondContact O-CB 3.42Å; K35-L39 PolarHBondContact O-N 2.81Å |
| 36 | K | 90.1 | Very high | 88.5 | Confident | 102 Ų | 102 | 109 Ų | 109 | 44% | 0.443 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.3 | -39.6 | 175.6 | -171.6 | -176.3 | 175.8 | -162.7 | 0 | 110.9 | V32 E33 H34 L39 R40 | V32-K36 WeakPolarHBondContact O-CB 3.46Å; V32-K36 PolarHBondContact O-N 3.3Å; E33-K36 WeakPolarHBondContact O-CB 3.26Å; E33-K36 PolarHBondContact O-N 2.91Å; E33-K36 VanDerWaalsContact O-N 3.12Å; E33-K36 IonicContact OE1-NZ 3.53Å; H34-K36 VanDerWaalsContact C-N 3.29Å; H34-K36 PolarHBondContact O-N 3.18Å; K36-L39 PolarHBondContact O-N 3.16Å; K36-R40 WeakPolarHBondContact O-CG 3.46Å; K36-R40 PolarHBondContact O-N 3Å |
| 37 | D | 87.2 | Confident | 88.2 | Confident | 63 Ų | 63 | 106.1 Ų | 106.1 | 34% | 0.337 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.6 | -40.5 | 175.3 | -71.9 | -20.9 | 0 | 0 | 0 | 111.7 | E33 H34 L39 R40 H41 | E33-D37 PolarHBondContact O-N 3.3Å; H34-D37 PolarHBondContact O-N 3.27Å; D37-L39 VanDerWaalsContact C-N 3.33Å; D37-L39 PolarHBondContact O-N 3.38Å; D37-R40 PolarHBondContact O-N 3.48Å; D37-R40 IonicContact OD1-CZ 3.71Å; D37-R40 IonicContact OD1-NH1 3.74Å; D37-R40 IonicContact OD1-NH2 3.77Å; D37-H41 PolarHBondContact O-N 2.77Å; D37-H41 PolarHBondContact O-ND1 3.04Å |
| 38 | E | 88.3 | Confident | 88.1 | Confident | 116 Ų | 116 | 109.3 Ų | 109.3 | 54% | 0.542 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 172.8 | -166.7 | 179.9 | -179.4 | 0 | 0 | 111.3 | H34 H41 L42 | H34-E38 IonicContact ND1-OE2 3.99Å; H34-E38 WeakPolarHBondContact O-CB 3.29Å; H34-E38 PolarHBondContact O-N 3.41Å; E38-H41 PolarHBondContact O-N 3.16Å; E38-L42 WeakPolarHBondContact O-CB 3.29Å; E38-L42 PolarHBondContact O-N 3.37Å |
| 39 | L | 86.8 | Confident | 88.1 | Confident | 110 Ų | 110 | 108.8 Ų | 108.8 | 58% | 0.576 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.2 | -39.2 | 173.6 | -112.9 | 132 | 0 | 0 | 0 | 112.5 | K35 K36 D37 H41 L42 V43 | K35-L39 WeakPolarHBondContact O-CB 3.42Å; K35-L39 PolarHBondContact O-N 2.81Å; K36-L39 PolarHBondContact O-N 3.16Å; D37-L39 VanDerWaalsContact C-N 3.33Å; D37-L39 PolarHBondContact O-N 3.38Å; L39-H41 VanDerWaalsContact C-N 3.35Å; L39-L42 PolarHBondContact O-N 3.11Å; L39-V43 HydrophobicContact CD2-CG2 4.48Å; L39-V43 WeakPolarHBondContact O-CB 3.38Å; L39-V43 VanDerWaalsContact O-CG2 3.25Å; L39-V43 WeakPolarHBondContact O-CG2 3.4Å; L39-V43 PolarHBondContact O-N 2.81Å |
| 40 | R | 87.4 | Confident | 87.9 | Confident | 135 Ų | 135 | 105.3 Ų | 105.3 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.1 | -40.7 | 174.3 | -75.4 | -174.6 | -149.1 | 155.3 | 21.9 | 111.6 | E33 K36 D37 G44 | E33-R40 IonicContact OE1-NH2 3.65Å; K36-R40 WeakPolarHBondContact O-CG 3.46Å; K36-R40 PolarHBondContact O-N 3Å; D37-R40 PolarHBondContact O-N 3.48Å; D37-R40 IonicContact OD1-CZ 3.71Å; D37-R40 IonicContact OD1-NH1 3.74Å; D37-R40 IonicContact OD1-NH2 3.77Å; R40-G44 PolarHBondContact O-N 2.95Å |
| 41 | H | 83.6 | Confident | 87.7 | Confident | 137 Ų | 137 | 106.7 Ų | 106.7 | 63% | 0.634 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.7 | -47.2 | 175.6 | -77.2 | 77 | 0 | 0 | 0 | 110.9 | D37 E38 L39 V43 G44 E45 | D37-H41 PolarHBondContact O-N 2.77Å; D37-H41 PolarHBondContact O-ND1 3.04Å; E38-H41 PolarHBondContact O-N 3.16Å; L39-H41 VanDerWaalsContact C-N 3.35Å; H41-V43 PolarHBondContact O-N 3.37Å; H41-G44 PolarHBondContact O-N 3.41Å; H41-E45 WeakPolarHBondContact O-CB 3.24Å; H41-E45 PolarHBondContact O-N 2.96Å |
| 42 | L | 84.8 | Confident | 87.5 | Confident | 87 Ų | 87 | 107.1 Ų | 107.1 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 179.7 | -167.3 | 82.8 | 0 | 0 | 0 | 112.5 | E38 L39 R46 | E38-L42 WeakPolarHBondContact O-CB 3.29Å; E38-L42 PolarHBondContact O-N 3.37Å; L39-L42 PolarHBondContact O-N 3.11Å; L42-R46 WeakPolarHBondContact O-CB 3.36Å; L42-R46 WeakPolarHBondContact O-CG 3.32Å; L42-R46 PolarHBondContact O-N 3.49Å |
| 43 | V | 87.6 | Confident | 87.4 | Confident | 69 Ų | 69 | 104.7 Ų | 104.7 | 42% | 0.418 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -71.2 | -39 | 177.3 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | L39 H41 H47 | L39-V43 HydrophobicContact CD2-CG2 4.48Å; L39-V43 WeakPolarHBondContact O-CB 3.38Å; L39-V43 VanDerWaalsContact O-CG2 3.25Å; L39-V43 WeakPolarHBondContact O-CG2 3.4Å; L39-V43 PolarHBondContact O-N 2.81Å; H41-V43 PolarHBondContact O-N 3.37Å; V43-H47 PolarHBondContact O-CD2 3.23Å; V43-H47 PolarHBondContact O-N 2.93Å |
| 44 | G | 87.5 | Confident | 87.3 | Confident | 33 Ų | 33 | 103.4 Ų | 103.4 | 34% | 0.34 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.3 | -43.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | R40 H41 R48 | R40-G44 PolarHBondContact O-N 2.95Å; H41-G44 PolarHBondContact O-N 3.41Å; G44-R48 PolarHBondContact O-N 2.66Å; G44-R48 VanDerWaalsContact O-N 3.11Å |
| 45 | E | 83.6 | Confident | 87.5 | Confident | 123 Ų | 123 | 101.5 Ų | 101.5 | 58% | 0.575 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.7 | -49.2 | 172.8 | -84.6 | -159.7 | 142.1 | 0 | 0 | 111 | H41 H47 R48 D49 | H41-E45 WeakPolarHBondContact O-CB 3.24Å; H41-E45 PolarHBondContact O-N 2.96Å; E45-H47 VanDerWaalsContact C-N 3.28Å; E45-H47 PolarHBondContact O-N 3.07Å; E45-R48 CarbonylContact O-C 3.41Å; E45-R48 WeakPolarHBondContact O-CA 3.16Å; E45-R48 WeakPolarHBondContact O-CB 3.39Å; E45-R48 PolarHBondContact O-N 3.07Å; E45-D49 PolarHBondContact O-N 3.26Å |
| 46 | R | 82.6 | Confident | 87.4 | Confident | 159 Ų | 159 | 103.1 Ų | 103.1 | 60% | 0.6 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.6 | -37.3 | 178.3 | -82.6 | -177.2 | 174.8 | 170 | -0 | 113.3 | L42 D49 I50 | L42-R46 WeakPolarHBondContact O-CB 3.36Å; L42-R46 WeakPolarHBondContact O-CG 3.32Å; L42-R46 PolarHBondContact O-N 3.49Å; R46-D49 PolarHBondContact O-N 3.4Å; R46-I50 WeakPolarHBondContact O-CB 3.46Å; R46-I50 WeakPolarHBondContact O-CD1 3.5Å; R46-I50 WeakPolarHBondContact O-CG1 3.15Å; R46-I50 PolarHBondContact O-N 3.45Å |
| 47 | H | 82.8 | Confident | 87.4 | Confident | 116 Ų | 116 | 103.8 Ų | 103.8 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.2 | -39.5 | 174.1 | -84.3 | -49.6 | 0 | 0 | 0 | 112.2 | V43 E45 I50 I51 | V43-H47 PolarHBondContact O-CD2 3.23Å; V43-H47 PolarHBondContact O-N 2.93Å; E45-H47 VanDerWaalsContact C-N 3.28Å; E45-H47 PolarHBondContact O-N 3.07Å; H47-I50 PolarHBondContact O-N 2.98Å; H47-I51 VanDerWaalsContact O-CG1 3.26Å; H47-I51 WeakPolarHBondContact O-CG1 3.31Å; H47-I51 PolarHBondContact O-N 2.78Å |
| 48 | R | 88 | Confident | 87.6 | Confident | 181 Ų | 181 | 105.9 Ų | 105.9 | 68% | 0.683 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.2 | -45.5 | 172.8 | -80.1 | 176 | 176.9 | 154.6 | -0.7 | 111.8 | G44 E45 I50 I51 D52 | G44-R48 PolarHBondContact O-N 2.66Å; G44-R48 VanDerWaalsContact O-N 3.11Å; E45-R48 CarbonylContact O-C 3.41Å; E45-R48 WeakPolarHBondContact O-CA 3.16Å; E45-R48 WeakPolarHBondContact O-CB 3.39Å; E45-R48 PolarHBondContact O-N 3.07Å; R48-I50 VanDerWaalsContact C-N 3.3Å; R48-I50 PolarHBondContact O-N 3.43Å; R48-I51 PolarHBondContact O-N 3.25Å; R48-I51 VanDerWaalsContact O-N 3.16Å; R48-D52 WeakPolarHBondContact O-CB 3.35Å; R48-D52 PolarHBondContact O-N 3.4Å |
| 49 | D | 87.6 | Confident | 87.8 | Confident | 96 Ų | 96 | 105.3 Ų | 105.3 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.5 | -39 | 178.2 | -69.1 | -18.1 | 0 | 0 | 0 | 111.9 | E45 R46 A53 | E45-D49 PolarHBondContact O-N 3.26Å; R46-D49 PolarHBondContact O-N 3.4Å; D49-A53 WeakPolarHBondContact O-CB 3.25Å; D49-A53 PolarHBondContact O-N 3.4Å |
| 50 | I | 88.1 | Confident | 87.9 | Confident | 109 Ų | 109 | 106.1 Ų | 106.1 | 56% | 0.559 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.4 | -41.2 | 176.2 | -71 | 165.7 | 0 | 0 | 0 | 110.9 | R46 H47 R48 A53 S54 | R46-I50 WeakPolarHBondContact O-CB 3.46Å; R46-I50 WeakPolarHBondContact O-CD1 3.5Å; R46-I50 WeakPolarHBondContact O-CG1 3.15Å; R46-I50 PolarHBondContact O-N 3.45Å; H47-I50 PolarHBondContact O-N 2.98Å; R48-I50 VanDerWaalsContact C-N 3.3Å; R48-I50 PolarHBondContact O-N 3.43Å; I50-A53 PolarHBondContact O-N 2.92Å; I50-S54 WeakPolarHBondContact O-CB 3.11Å; I50-S54 PolarHBondContact O-N 3Å; I50-S54 PolarHBondContact O-OG 3.18Å |
| 51 | I | 87.4 | Confident | 88.2 | Confident | 92 Ų | 92 | 107.1 Ų | 107.1 | 47% | 0.472 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.2 | -50 | 176.4 | -68.7 | 166.8 | 0 | 0 | 0 | 109.9 | H47 R48 A53 S54 D55 | H47-I51 VanDerWaalsContact O-CG1 3.26Å; H47-I51 WeakPolarHBondContact O-CG1 3.31Å; H47-I51 PolarHBondContact O-N 2.78Å; R48-I51 PolarHBondContact O-N 3.25Å; R48-I51 VanDerWaalsContact O-N 3.16Å; I51-A53 VanDerWaalsContact C-N 3.27Å; I51-A53 PolarHBondContact O-N 2.78Å; I51-S54 WeakPolarHBondContact CA-OG 3.43Å; I51-S54 CarbonylContact O-C 3.6Å; I51-S54 WeakPolarHBondContact O-CA 3.41Å; I51-S54 PolarHBondContact O-N 2.91Å; I51-S54 PolarHBondContact O-OG 3.01Å; I51-D55 PolarHBondContact O-N 3.23Å |
| 52 | D | 89.6 | Confident | 88.7 | Confident | 79 Ų | 79 | 104.4 Ų | 104.4 | 42% | 0.422 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.6 | -39.3 | 176.6 | -81.4 | 8.7 | 0 | 0 | 0 | 111.4 | R48 R56 | R48-D52 WeakPolarHBondContact O-CB 3.35Å; R48-D52 PolarHBondContact O-N 3.4Å; D52-R56 VanDerWaalsContact O-CB 3.29Å; D52-R56 WeakPolarHBondContact O-CB 3.44Å; D52-R56 WeakPolarHBondContact O-CG 3.47Å; D52-R56 PolarHBondContact O-N 3.19Å |
| 53 | A | 89.6 | Confident | 89 | Confident | 45 Ų | 45 | 104.7 Ų | 104.7 | 37% | 0.372 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | D49 I50 I51 R56 I57 | D49-A53 WeakPolarHBondContact O-CB 3.25Å; D49-A53 PolarHBondContact O-N 3.4Å; I50-A53 PolarHBondContact O-N 2.92Å; I51-A53 VanDerWaalsContact C-N 3.27Å; I51-A53 PolarHBondContact O-N 2.78Å; A53-R56 PolarHBondContact O-N 3.32Å; A53-I57 VanDerWaalsContact O-CG1 3.24Å; A53-I57 WeakPolarHBondContact O-CG1 3.38Å; A53-I57 PolarHBondContact O-N 2.97Å |
| 54 | S | 90.2 | Very high | 89.2 | Confident | 57 Ų | 57 | 105.9 Ų | 105.9 | 40% | 0.399 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | 176.6 | 72.3 | 0 | 0 | 0 | 0 | 112.3 | I50 I51 I57 L58 | I50-S54 WeakPolarHBondContact O-CB 3.11Å; I50-S54 PolarHBondContact O-N 3Å; I50-S54 PolarHBondContact O-OG 3.18Å; I51-S54 WeakPolarHBondContact CA-OG 3.43Å; I51-S54 CarbonylContact O-C 3.6Å; I51-S54 WeakPolarHBondContact O-CA 3.41Å; I51-S54 PolarHBondContact O-N 2.91Å; I51-S54 PolarHBondContact O-OG 3.01Å; S54-I57 PolarHBondContact O-N 2.85Å; S54-L58 WeakPolarHBondContact O-CB 3.46Å; S54-L58 PolarHBondContact O-N 3.34Å |
| 55 | D | 94.1 | Very high | 89.5 | Confident | 86 Ų | 86 | 111.9 Ų | 111.9 | 46% | 0.46 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.2 | -40.5 | 176 | -75.7 | -16.9 | 0 | 0 | 0 | 111.3 | I51 L58 L59 | I51-D55 PolarHBondContact O-N 3.23Å; D55-L58 PolarHBondContact O-N 3.24Å; D55-L59 WeakPolarHBondContact O-CB 3.38Å; D55-L59 PolarHBondContact O-N 3.25Å |
| 56 | R | 89.7 | Confident | 89.9 | Confident | 171 Ų | 171 | 111.6 Ų | 111.6 | 65% | 0.645 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63 | -39.6 | 173.1 | -75.7 | 175.3 | -168.3 | -157.8 | 7.3 | 112.1 | D52 A53 L58 M60 | D52-R56 VanDerWaalsContact O-CB 3.29Å; D52-R56 WeakPolarHBondContact O-CB 3.44Å; D52-R56 WeakPolarHBondContact O-CG 3.47Å; D52-R56 PolarHBondContact O-N 3.19Å; A53-R56 PolarHBondContact O-N 3.32Å; R56-L58 VanDerWaalsContact C-N 3.34Å; R56-M60 WeakPolarHBondContact O-CB 3.49Å; R56-M60 WeakPolarHBondContact O-CG 3.46Å; R56-M60 PolarHBondContact O-N 3.2Å |
| 57 | I | 88.9 | Confident | 90.1 | Very high | 116 Ų | 116 | 107.8 Ų | 107.8 | 60% | 0.595 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.9 | -40.1 | 175.4 | -70.6 | 165.2 | 0 | 0 | 0 | 110.5 | A53 S54 M60 K61 | A53-I57 VanDerWaalsContact O-CG1 3.24Å; A53-I57 WeakPolarHBondContact O-CG1 3.38Å; A53-I57 PolarHBondContact O-N 2.97Å; S54-I57 PolarHBondContact O-N 2.85Å; I57-M60 PolarHBondContact O-N 3.06Å; I57-K61 PolarHBondContact O-N 2.94Å |
| 58 | L | 92.1 | Very high | 90.5 | Very high | 106 Ų | 106 | 104.4 Ų | 104.4 | 56% | 0.555 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.6 | -41.9 | 178.2 | -149.6 | 123.4 | 0 | 0 | 0 | 111.6 | S54 D55 R56 K61 N62 | S54-L58 WeakPolarHBondContact O-CB 3.46Å; S54-L58 PolarHBondContact O-N 3.34Å; D55-L58 PolarHBondContact O-N 3.24Å; R56-L58 VanDerWaalsContact C-N 3.34Å; L58-K61 WeakPolarHBondContact O-CB 3.1Å; L58-K61 PolarHBondContact O-N 3.06Å; L58-N62 VanDerWaalsContact O-CG 3.31Å; L58-N62 PolarHBondContact O-N 3.42Å |
| 59 | L | 91.7 | Very high | 90.8 | Very high | 104 Ų | 104 | 98.1 Ų | 98.1 | 55% | 0.545 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60 | -45.8 | 170.2 | -94 | 165.8 | 0 | 0 | 0 | 111.5 | D55 K61 N62 L63 | D55-L59 WeakPolarHBondContact O-CB 3.38Å; D55-L59 PolarHBondContact O-N 3.25Å; L59-K61 VanDerWaalsContact C-N 3.31Å; L59-K61 PolarHBondContact O-N 3.09Å; L59-N62 PolarHBondContact O-N 3.18Å; L59-L63 WeakPolarHBondContact O-CB 3.49Å; L59-L63 VanDerWaalsContact O-CG 3.25Å; L59-L63 WeakPolarHBondContact O-CG 3.35Å; L59-L63 PolarHBondContact O-N 2.86Å |
| 60 | M | 89.4 | Confident | 90.9 | Very high | 128 Ų | 128 | 98.5 Ų | 98.5 | 63% | 0.631 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.3 | -42 | 176 | -80.1 | -177 | 94.8 | 0 | 0 | 111.1 | R56 I57 N62 L63 T64 | R56-M60 WeakPolarHBondContact O-CB 3.49Å; R56-M60 WeakPolarHBondContact O-CG 3.46Å; R56-M60 PolarHBondContact O-N 3.2Å; I57-M60 PolarHBondContact O-N 3.06Å; M60-N62 PolarHBondContact O-N 3.46Å; M60-L63 PolarHBondContact O-N 3.47Å; M60-T64 VanDerWaalsContact O-CB 3.28Å; M60-T64 WeakPolarHBondContact O-CB 3.34Å; M60-T64 PolarHBondContact O-N 3.09Å; M60-T64 PolarHBondContact O-OG1 2.86Å |
| 61 | K | 93.7 | Very high | 90.8 | Very high | 155 Ų | 155 | 98.2 Ų | 98.2 | 67% | 0.674 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.5 | -45.6 | 175.6 | -177 | -177.1 | 175.7 | -176.6 | 0 | 111.6 | I57 L58 L59 T64 Y65 | I57-K61 PolarHBondContact O-N 2.94Å; L58-K61 WeakPolarHBondContact O-CB 3.1Å; L58-K61 PolarHBondContact O-N 3.06Å; L59-K61 VanDerWaalsContact C-N 3.31Å; L59-K61 PolarHBondContact O-N 3.09Å; K61-T64 PolarHBondContact O-N 3.33Å; K61-Y65 WeakPolarHBondContact O-CB 3.47Å; K61-Y65 PolarHBondContact O-N 2.97Å |
| 62 | N | 93.5 | Very high | 90.9 | Very high | 81 Ų | 81 | 98.3 Ų | 98.3 | 43% | 0.433 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.5 | -45.7 | 179.3 | -68.2 | -11.4 | 0 | 0 | 0 | 111.7 | L58 L59 M60 T64 Y65 E66 | L58-N62 VanDerWaalsContact O-CG 3.31Å; L58-N62 PolarHBondContact O-N 3.42Å; L59-N62 PolarHBondContact O-N 3.18Å; M60-N62 PolarHBondContact O-N 3.46Å; N62-T64 VanDerWaalsContact C-N 3.32Å; N62-T64 PolarHBondContact O-N 2.81Å; N62-Y65 WeakPolarHBondContact O-CB 3.47Å; N62-Y65 PolarHBondContact O-N 2.89Å; N62-E66 PolarHBondContact O-N 3.29Å |
| 63 | L | 91.3 | Very high | 90.9 | Very high | 92 Ų | 92 | 98.7 Ų | 98.7 | 48% | 0.482 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.2 | -39 | 175.5 | -70.6 | 169.5 | 0 | 0 | 0 | 111.5 | L59 M60 Y65 E66 V67 | L59-L63 WeakPolarHBondContact O-CB 3.49Å; L59-L63 VanDerWaalsContact O-CG 3.25Å; L59-L63 WeakPolarHBondContact O-CG 3.35Å; L59-L63 PolarHBondContact O-N 2.86Å; M60-L63 PolarHBondContact O-N 3.47Å; L63-Y65 VanDerWaalsContact C-N 3.33Å; L63-E66 PolarHBondContact O-N 3.44Å; L63-V67 VanDerWaalsContact O-CB 3.29Å; L63-V67 WeakPolarHBondContact O-CB 3.09Å; L63-V67 WeakPolarHBondContact O-CG2 3.32Å; L63-V67 PolarHBondContact O-N 3.37Å |
| 64 | T | 91.7 | Very high | 90.5 | Very high | 94 Ų | 94 | 100.9 Ų | 100.9 | 58% | 0.577 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.2 | -38.1 | 176.5 | -50.4 | 0 | 0 | 0 | 0 | 110.8 | M60 K61 N62 S68 | M60-T64 VanDerWaalsContact O-CB 3.28Å; M60-T64 WeakPolarHBondContact O-CB 3.34Å; M60-T64 PolarHBondContact O-N 3.09Å; M60-T64 PolarHBondContact O-OG1 2.86Å; K61-T64 PolarHBondContact O-N 3.33Å; N62-T64 VanDerWaalsContact C-N 3.32Å; N62-T64 PolarHBondContact O-N 2.81Å; T64-S68 WeakPolarHBondContact O-CB 3.48Å; T64-S68 PolarHBondContact O-N 3.44Å; T64-S68 PolarHBondContact O-OG 3.11Å |
| 65 | Y | 93.7 | Very high | 90.2 | Very high | 160 Ų | 160 | 106.7 Ų | 106.7 | 63% | 0.627 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.2 | -48.4 | 173.4 | -177 | -101.7 | 0 | 0 | 0 | 111.5 | K61 N62 L63 V67 S68 V69 | K61-Y65 WeakPolarHBondContact O-CB 3.47Å; K61-Y65 PolarHBondContact O-N 2.97Å; N62-Y65 WeakPolarHBondContact O-CB 3.47Å; N62-Y65 PolarHBondContact O-N 2.89Å; L63-Y65 VanDerWaalsContact C-N 3.33Å; Y65-V67 VanDerWaalsContact C-N 3.35Å; Y65-V67 PolarHBondContact O-N 3.19Å; Y65-S68 WeakPolarHBondContact CA-OG 3.39Å; Y65-S68 PolarHBondContact O-N 2.72Å; Y65-S68 VanDerWaalsContact O-N 3.12Å; Y65-S68 PolarHBondContact O-OG 2.53Å; Y65-V69 HydrophobicContact CD1-CG2 4.3Å; Y65-V69 HydrophobicContact CE1-CG2 3.92Å; Y65-V69 HydrophobicContact CE2-CG2 4.4Å; Y65-V69 WeakPolarHBondContact O-CG2 3.23Å; Y65-V69 PolarHBondContact O-N 2.92Å |
| 66 | E | 91.3 | Very high | 89.6 | Confident | 116 Ų | 116 | 107.9 Ų | 107.9 | 54% | 0.542 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.9 | -44.2 | 175 | -76.6 | -174.1 | 165.3 | 0 | 0 | 112 | N62 L63 S68 V69 L70 | N62-E66 PolarHBondContact O-N 3.29Å; L63-E66 PolarHBondContact O-N 3.44Å; E66-S68 VanDerWaalsContact C-N 3.32Å; E66-S68 PolarHBondContact O-N 2.68Å; E66-V69 PolarHBondContact O-N 3.42Å; E66-L70 WeakPolarHBondContact O-CB 3.39Å; E66-L70 VanDerWaalsContact O-CG 3.28Å; E66-L70 WeakPolarHBondContact O-CG 3.43Å; E66-L70 PolarHBondContact O-N 3.29Å |
| 67 | V | 87.5 | Confident | 89.1 | Confident | 79 Ų | 79 | 107.7 Ų | 107.7 | 48% | 0.479 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.9 | -39.3 | 175.6 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | L63 Y65 L70 L71 | L63-V67 VanDerWaalsContact O-CB 3.29Å; L63-V67 WeakPolarHBondContact O-CB 3.09Å; L63-V67 WeakPolarHBondContact O-CG2 3.32Å; L63-V67 PolarHBondContact O-N 3.37Å; Y65-V67 VanDerWaalsContact C-N 3.35Å; Y65-V67 PolarHBondContact O-N 3.19Å; V67-L70 PolarHBondContact O-N 2.86Å; V67-L71 HydrophobicContact CG1-CD1 3.89Å; V67-L71 HydrophobicContact CG1-CG 4.38Å; V67-L71 VanDerWaalsContact O-CB 3.28Å; V67-L71 WeakPolarHBondContact O-CB 3.43Å; V67-L71 VanDerWaalsContact O-CG 3.31Å; V67-L71 WeakPolarHBondContact O-CG 3.29Å; V67-L71 PolarHBondContact O-N 3.42Å |
| 68 | S | 92 | Very high | 88.5 | Confident | 46 Ų | 46 | 106.6 Ų | 106.6 | 32% | 0.322 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 175.7 | 72.2 | 0 | 0 | 0 | 0 | 112.1 | T64 Y65 E66 L71 D72 | T64-S68 WeakPolarHBondContact O-CB 3.48Å; T64-S68 PolarHBondContact O-N 3.44Å; T64-S68 PolarHBondContact O-OG 3.11Å; Y65-S68 WeakPolarHBondContact CA-OG 3.39Å; Y65-S68 PolarHBondContact O-N 2.72Å; Y65-S68 VanDerWaalsContact O-N 3.12Å; Y65-S68 PolarHBondContact O-OG 2.53Å; E66-S68 VanDerWaalsContact C-N 3.32Å; E66-S68 PolarHBondContact O-N 2.68Å; S68-L71 PolarHBondContact O-N 2.92Å; S68-D72 PolarHBondContact O-N 3.23Å |
| 69 | V | 93 | Very high | 87.6 | Confident | 49 Ų | 49 | 105 Ų | 105 | 30% | 0.297 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.5 | -44.4 | 175.8 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | Y65 E66 L71 D72 Q73 | Y65-V69 HydrophobicContact CD1-CG2 4.3Å; Y65-V69 HydrophobicContact CE1-CG2 3.92Å; Y65-V69 HydrophobicContact CE2-CG2 4.4Å; Y65-V69 WeakPolarHBondContact O-CG2 3.23Å; Y65-V69 PolarHBondContact O-N 2.92Å; E66-V69 PolarHBondContact O-N 3.42Å; V69-L71 VanDerWaalsContact C-N 3.31Å; V69-L71 PolarHBondContact O-N 2.95Å; V69-D72 PolarHBondContact O-N 3.19Å; V69-Q73 HydrophobicContact CG1-CG 4.48Å; V69-Q73 WeakPolarHBondContact O-CB 3.41Å; V69-Q73 VanDerWaalsContact O-CG 3.27Å; V69-Q73 WeakPolarHBondContact O-CG 3.05Å; V69-Q73 PolarHBondContact O-N 3.29Å |
| 70 | L | 89.8 | Confident | 86.4 | Confident | 103 Ų | 103 | 104.9 Ų | 104.9 | 54% | 0.539 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64 | -36.5 | 176 | -74.6 | 170.2 | 0 | 0 | 0 | 111.6 | E66 V67 L74 | E66-L70 WeakPolarHBondContact O-CB 3.39Å; E66-L70 VanDerWaalsContact O-CG 3.28Å; E66-L70 WeakPolarHBondContact O-CG 3.43Å; E66-L70 PolarHBondContact O-N 3.29Å; V67-L70 PolarHBondContact O-N 2.86Å; L70-L74 WeakPolarHBondContact O-CB 3.39Å; L70-L74 PolarHBondContact O-N 2.85Å |
| 71 | L | 87.2 | Confident | 84.9 | Confident | 103 Ų | 103 | 106.8 Ų | 106.8 | 54% | 0.539 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.6 | -39.8 | 174.3 | -82.7 | 168.4 | 0 | 0 | 0 | 111.9 | V67 S68 V69 L74 R75 | V67-L71 HydrophobicContact CG1-CD1 3.89Å; V67-L71 HydrophobicContact CG1-CG 4.38Å; V67-L71 VanDerWaalsContact O-CB 3.28Å; V67-L71 WeakPolarHBondContact O-CB 3.43Å; V67-L71 VanDerWaalsContact O-CG 3.31Å; V67-L71 WeakPolarHBondContact O-CG 3.29Å; V67-L71 PolarHBondContact O-N 3.42Å; S68-L71 PolarHBondContact O-N 2.92Å; V69-L71 VanDerWaalsContact C-N 3.31Å; V69-L71 PolarHBondContact O-N 2.95Å; L71-L74 PolarHBondContact O-N 2.94Å; L71-R75 VanDerWaalsContact O-CB 3.24Å; L71-R75 WeakPolarHBondContact O-CB 3.38Å; L71-R75 PolarHBondContact O-N 3.19Å |
| 72 | D | 89 | Confident | 83.1 | Confident | 94 Ų | 94 | 103.6 Ų | 103.6 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 174.6 | -78.1 | -23.9 | 0 | 0 | 0 | 111.2 | S68 V69 R75 L76 | S68-D72 PolarHBondContact O-N 3.23Å; V69-D72 PolarHBondContact O-N 3.19Å; D72-R75 PolarHBondContact O-N 3.38Å; D72-L76 WeakPolarHBondContact O-CG 3.44Å; D72-L76 PolarHBondContact O-N 2.62Å |
| 73 | Q | 88.9 | Confident | 81.2 | Confident | 87 Ų | 87 | 107.3 Ų | 107.3 | 41% | 0.407 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.4 | -48.3 | 171.5 | -74.1 | 175.7 | 4.4 | 0 | 0 | 111.1 | V69 R75 L76 Y77 | V69-Q73 HydrophobicContact CG1-CG 4.48Å; V69-Q73 WeakPolarHBondContact O-CB 3.41Å; V69-Q73 VanDerWaalsContact O-CG 3.27Å; V69-Q73 WeakPolarHBondContact O-CG 3.05Å; V69-Q73 PolarHBondContact O-N 3.29Å; Q73-R75 VanDerWaalsContact C-N 3.26Å; Q73-R75 PolarHBondContact O-N 3Å; Q73-L76 CarbonylContact O-C 3.03Å; Q73-L76 WeakPolarHBondContact O-CB 3.33Å; Q73-L76 PolarHBondContact O-N 3.11Å; Q73-L76 VanDerWaalsContact O-N 3.15Å; Q73-Y77 HydrophobicContact CB-CD2 4.35Å; Q73-Y77 HydrophobicContact CB-CE2 4.32Å; Q73-Y77 WeakPolarHBondContact O-CB 3.34Å; Q73-Y77 WeakPolarHBondContact O-CD2 3.35Å; Q73-Y77 PolarHBondContact O-N 2.8Å |
| 74 | L | 82 | Confident | 79 | Confident | 91 Ų | 91 | 109.2 Ų | 109.2 | 48% | 0.476 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.9 | -38.8 | 177.7 | -167.2 | 160.6 | 0 | 0 | 0 | 110.3 | L70 L71 Y77 L78 | L70-L74 WeakPolarHBondContact O-CB 3.39Å; L70-L74 PolarHBondContact O-N 2.85Å; L71-L74 PolarHBondContact O-N 2.94Å; L74-Y77 PolarHBondContact O-N 2.9Å; L74-L78 HydrophobicContact CD2-CD1 3.27Å; L74-L78 HydrophobicContact CD2-CG 3.72Å; L74-L78 WeakPolarHBondContact O-CB 3.48Å; L74-L78 WeakPolarHBondContact O-CG 3.45Å; L74-L78 PolarHBondContact O-N 3.35Å |
| 75 | R | 84 | Confident | 76.9 | Confident | 179 Ų | 179 | 109.9 Ų | 109.9 | 68% | 0.675 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.8 | -43.5 | 174.9 | -168.1 | 177.8 | -176.7 | -171.6 | 0.4 | 111.5 | L71 D72 Q73 L78 T79 | L71-R75 VanDerWaalsContact O-CB 3.24Å; L71-R75 WeakPolarHBondContact O-CB 3.38Å; L71-R75 PolarHBondContact O-N 3.19Å; D72-R75 PolarHBondContact O-N 3.38Å; Q73-R75 VanDerWaalsContact C-N 3.26Å; Q73-R75 PolarHBondContact O-N 3Å; R75-L78 PolarHBondContact O-N 2.94Å; R75-T79 WeakPolarHBondContact O-CG2 3.4Å; R75-T79 PolarHBondContact O-N 3.15Å; R75-T79 PolarHBondContact O-OG1 2.98Å |
| 76 | L | 80.9 | Confident | 74.3 | Confident | 111 Ų | 111 | 111.1 Ų | 111.1 | 58% | 0.581 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.2 | -43 | 173.3 | -74.4 | 167.3 | 0 | 0 | 0 | 112 | D72 Q73 T79 N80 | D72-L76 WeakPolarHBondContact O-CG 3.44Å; D72-L76 PolarHBondContact O-N 2.62Å; Q73-L76 CarbonylContact O-C 3.03Å; Q73-L76 WeakPolarHBondContact O-CB 3.33Å; Q73-L76 PolarHBondContact O-N 3.11Å; Q73-L76 VanDerWaalsContact O-N 3.15Å; L76-T79 WeakPolarHBondContact CA-OG1 3.27Å; L76-T79 PolarHBondContact O-N 3.29Å; L76-T79 PolarHBondContact O-OG1 2.75Å; L76-N80 WeakPolarHBondContact O-CB 3.4Å; L76-N80 PolarHBondContact O-N 3.44Å |
| 77 | Y | 79.2 | Confident | 72.1 | Confident | 167 Ų | 167 | 112 Ų | 112 | 66% | 0.655 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.8 | -41.9 | 175.6 | -79 | -63.7 | 0 | 0 | 0 | 111.1 | Q73 L74 N80 W81 | Q73-Y77 HydrophobicContact CB-CD2 4.35Å; Q73-Y77 HydrophobicContact CB-CE2 4.32Å; Q73-Y77 WeakPolarHBondContact O-CB 3.34Å; Q73-Y77 WeakPolarHBondContact O-CD2 3.35Å; Q73-Y77 PolarHBondContact O-N 2.8Å; L74-Y77 PolarHBondContact O-N 2.9Å; Y77-N80 PolarHBondContact O-N 3.12Å; Y77-W81 WeakPolarHBondContact O-CA 3.18Å; Y77-W81 WeakPolarHBondContact O-CB 3.4Å; Y77-W81 PolarHBondContact O-N 3.41Å |
| 78 | L | 76.7 | Confident | 69.7 | Low | 94 Ų | 94 | 117.4 Ų | 117.4 | 49% | 0.492 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.2 | -39.6 | 176.8 | -78.4 | 175.6 | 0 | 0 | 0 | 112 | L74 R75 W81 S82 | L74-L78 HydrophobicContact CD2-CD1 3.27Å; L74-L78 HydrophobicContact CD2-CG 3.72Å; L74-L78 WeakPolarHBondContact O-CB 3.48Å; L74-L78 WeakPolarHBondContact O-CG 3.45Å; L74-L78 PolarHBondContact O-N 3.35Å; R75-L78 PolarHBondContact O-N 2.94Å; L78-W81 HydrophobicContact CD2-CE3 4.21Å; L78-W81 PolarHBondContact O-N 3.26Å; L78-S82 WeakPolarHBondContact O-CB 3.33Å; L78-S82 PolarHBondContact O-N 2.93Å |
| 79 | T | 74.2 | Confident | 67.1 | Low | 73 Ų | 73 | 124.2 Ų | 124.2 | 45% | 0.448 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63.2 | -43 | 175.2 | 48.8 | 0 | 0 | 0 | 0 | 111.4 | R75 L76 S82 | R75-T79 WeakPolarHBondContact O-CG2 3.4Å; R75-T79 PolarHBondContact O-N 3.15Å; R75-T79 PolarHBondContact O-OG1 2.98Å; L76-T79 WeakPolarHBondContact CA-OG1 3.27Å; L76-T79 PolarHBondContact O-N 3.29Å; L76-T79 PolarHBondContact O-OG1 2.75Å; T79-S82 PolarHBondContact O-OG 2.88Å |
| 80 | N | 66.7 | Low | 64.6 | Low | 100 Ų | 100 | 127.2 Ų | 127.2 | 54% | 0.535 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -71.8 | -40.2 | 177 | -68.9 | -3 | 0 | 0 | 0 | 111.9 | L76 Y77 S82 Q83 | L76-N80 WeakPolarHBondContact O-CB 3.4Å; L76-N80 PolarHBondContact O-N 3.44Å; Y77-N80 PolarHBondContact O-N 3.12Å; N80-S82 VanDerWaalsContact C-N 3.3Å; N80-S82 PolarHBondContact O-N 3.34Å; N80-Q83 PolarHBondContact O-N 3.13Å; N80-Q83 VanDerWaalsContact O-N 3.12Å |
| 81 | W | 57.2 | Low | 62.7 | Low | 168 Ų | 168 | 127.9 Ų | 127.9 | 64% | 0.636 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69.6 | -28.8 | -176.4 | -164.6 | 22.9 | 0 | 0 | 0 | 112.1 | Y77 L78 Q83 D84 I85 | Y77-W81 WeakPolarHBondContact O-CA 3.18Å; Y77-W81 WeakPolarHBondContact O-CB 3.4Å; Y77-W81 PolarHBondContact O-N 3.41Å; L78-W81 HydrophobicContact CD2-CE3 4.21Å; L78-W81 PolarHBondContact O-N 3.26Å; W81-Q83 PolarHBondContact O-N 3.4Å; W81-Q83 VanDerWaalsContact O-N 3.12Å; W81-D84 PolarHBondContact O-N 2.92Å; W81-D84 VanDerWaalsContact O-N 3.15Å; W81-I85 WeakPolarHBondContact O-CG1 3.4Å |
| 82 | S | 55.6 | Low | 61.2 | Low | 89 Ų | 89 | 126.1 Ų | 126.1 | 62% | 0.622 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | -18.8 | 172.4 | 71.8 | 0 | 0 | 0 | 0 | 114.2 | L78 T79 N80 | L78-S82 WeakPolarHBondContact O-CB 3.33Å; L78-S82 PolarHBondContact O-N 2.93Å; T79-S82 PolarHBondContact O-OG 2.88Å; N80-S82 VanDerWaalsContact C-N 3.3Å; N80-S82 PolarHBondContact O-N 3.34Å |
| 83 | Q | 54.4 | Low | 59.6 | Low | 159 Ų | 159 | 125.5 Ų | 125.5 | 74% | 0.743 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -21.8 | 177.5 | -68 | -177 | -13.1 | 0 | 0 | 113.4 | N80 W81 | N80-Q83 PolarHBondContact O-N 3.13Å; N80-Q83 VanDerWaalsContact O-N 3.12Å; W81-Q83 PolarHBondContact O-N 3.4Å; W81-Q83 VanDerWaalsContact O-N 3.12Å |
| 84 | D | 45 | Very low | 58 | Low | 131 Ų | 131 | 128.9 Ų | 128.9 | 70% | 0.701 | 64% | 0.637 | S | S | * | * | trans | -119.9 | 34.3 | -166.4 | -70.3 | -22.7 | 0 | 0 | 0 | 114.6 | W81 E86 | W81-D84 PolarHBondContact O-N 2.92Å; W81-D84 VanDerWaalsContact O-N 3.15Å; D84-E86 PolarHBondContact O-N 2.87Å | ||
| 85 | I | 46.6 | Very low | 57 | Low | 108 Ų | 108 | 129.2 Ų | 129.2 | 55% | 0.554 | 64% | 0.643 | S | S | * | * | trans | -90.6 | 75.5 | 173.9 | -49.4 | -177.8 | 0 | 0 | 0 | 110.5 | W81 I87 | W81-I85 WeakPolarHBondContact O-CG1 3.4Å; I85-I87 HydrophobicContact CG2-CD1 4.34Å; I85-I87 HydrophobicContact CG2-CG1 3.84Å | ||
| 86 | E | 38.6 | Very low | 56 | Low | 187 Ų | 187 | 126 Ų | 126 | 87% | 0.874 | 64% | 0.636 | S | S | * | * | trans | -105.8 | 108.7 | 152 | -81.7 | -166.9 | 166.1 | 0 | 0 | 109.5 | D84 K88 | D84-E86 PolarHBondContact O-N 2.87Å; E86-K88 PolarHBondContact O-N 2.79Å | ||
| 87 | I | 45.2 | Very low | 55.3 | Low | 133 Ų | 133 | 124.9 Ų | 124.9 | 68% | 0.682 | 63% | 0.63 | S | S | * | * | trans | -72.1 | 105.6 | -169.9 | -59.3 | 166.3 | 0 | 0 | 0 | 110 | I85 K89 | I85-I87 HydrophobicContact CG2-CD1 4.34Å; I85-I87 HydrophobicContact CG2-CG1 3.84Å; I87-K89 HydrophobicContact CG2-CG 4.06Å | ||
| 88 | K | 37.2 | Very low | 54.7 | Low | 194 Ų | 194 | 121.5 Ų | 121.5 | 84% | 0.843 | 62% | 0.62 | S | S | * | * | trans | -85.1 | 113.6 | 159.8 | -76.9 | -178.2 | 178.3 | 175.5 | 0 | 109.2 | E86 D90 | E86-K88 PolarHBondContact O-N 2.79Å; K88-D90 PolarHBondContact O-N 3.25Å | ||
| 89 | K | 38.4 | Very low | 54.5 | Low | 188 Ų | 188 | 123.6 Ų | 123.6 | 82% | 0.817 | 63% | 0.627 | S | S | * | * | trans | -82.6 | 103.5 | 175.5 | -71.5 | 179.2 | 177.6 | 175.5 | 0 | 109.2 | I87 | I87-K89 HydrophobicContact CG2-CG 4.06Š| ||
| 90 | D | 39.6 | Very low | 54.5 | Low | 113 Ų | 113 | 123.4 Ų | 123.4 | 60% | 0.604 | 62% | 0.623 | S | S | * | * | trans | -89.6 | 143.3 | 167.9 | -75.6 | -25.8 | 0 | 0 | 0 | 110.9 | K88 S92 V93 | K88-D90 PolarHBondContact O-N 3.25Å; D90-S92 PolarHBondContact O-N 3.12Å; D90-S92 VanDerWaalsContact O-N 3.16Å; D90-V93 WeakPolarHBondContact O-CG2 3.34Å | ||
| 91 | P | 51.1 | Low | 55.2 | Low | 117 Ų | 117 | 119.6 Ų | 119.6 | 76% | 0.76 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 3.6 | -176 | 29.7 | -34.2 | 0 | 0 | 0 | 114.6 | V93 | P91-V93 PolarHBondContact O-N 2.88Š|
| 92 | S | 54.9 | Low | 56 | Low | 66 Ų | 66 | 114.2 Ų | 114.2 | 46% | 0.462 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.5 | -8.6 | 173.4 | 55.1 | 0 | 0 | 0 | 0 | 113.9 | D90 T95 | D90-S92 PolarHBondContact O-N 3.12Å; D90-S92 VanDerWaalsContact O-N 3.16Å; S92-T95 PolarHBondContact O-OG1 2.98Å |
| 93 | V | 56.4 | Low | 57.1 | Low | 80 Ų | 80 | 112.1 Ų | 112.1 | 49% | 0.485 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.8 | -33.2 | -179.8 | 178.6 | 0 | 0 | 0 | 0 | 112.2 | D90 P91 L97 | D90-V93 WeakPolarHBondContact O-CG2 3.34Å; P91-V93 PolarHBondContact O-N 2.88Å; V93-L97 HydrophobicContact CG1-CD1 4.46Å; V93-L97 VanDerWaalsContact O-CB 3.31Å; V93-L97 WeakPolarHBondContact O-CB 3.48Å; V93-L97 PolarHBondContact O-N 3.05Å |
| 94 | E | 55.4 | Low | 58.5 | Low | 158 Ų | 158 | 104.5 Ų | 104.5 | 74% | 0.738 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69.4 | -40.7 | -174 | -72.2 | -173.9 | 170.6 | 0 | 0 | 113.3 | L97 H98 | E94-L97 PolarHBondContact O-N 3.19Å; E94-H98 PolarHBondContact O-N 2.81Å; E94-H98 VanDerWaalsContact O-N 3.07Å |
| 95 | T | 59.3 | Low | 60.4 | Low | 98 Ų | 98 | 98.9 Ų | 98.9 | 60% | 0.601 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.7 | -44.9 | 176.2 | 41.3 | 0 | 0 | 0 | 0 | 111.4 | S92 L97 H98 E99 | S92-T95 PolarHBondContact O-OG1 2.98Å; T95-L97 VanDerWaalsContact C-N 3.31Å; T95-L97 PolarHBondContact O-N 3.02Å; T95-H98 PolarHBondContact O-N 3.4Å; T95-E99 PolarHBondContact O-N 3.33Å |
| 96 | Q | 64.1 | Low | 62.1 | Low | 112 Ų | 112 | 95.5 Ų | 95.5 | 52% | 0.523 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61 | -40.1 | 175.1 | -69.8 | -176.5 | -11.2 | 0 | 0 | 112 | H98 E99 L100 | Q96-H98 VanDerWaalsContact C-N 3.31Å; Q96-H98 PolarHBondContact O-N 3.2Å; Q96-E99 PolarHBondContact O-N 3.01Å; Q96-L100 WeakPolarHBondContact O-CB 3.45Å; Q96-L100 WeakPolarHBondContact O-CD1 3.27Å; Q96-L100 PolarHBondContact O-N 3.07Å |
| 97 | L | 65.6 | Low | 64.3 | Low | 87 Ų | 87 | 90 Ų | 90 | 46% | 0.455 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.6 | -38 | 178.9 | -150.7 | 113.5 | 0 | 0 | 0 | 111.5 | V93 E94 T95 S101 | V93-L97 HydrophobicContact CG1-CD1 4.46Å; V93-L97 VanDerWaalsContact O-CB 3.31Å; V93-L97 WeakPolarHBondContact O-CB 3.48Å; V93-L97 PolarHBondContact O-N 3.05Å; E94-L97 PolarHBondContact O-N 3.19Å; T95-L97 VanDerWaalsContact C-N 3.31Å; T95-L97 PolarHBondContact O-N 3.02Å; L97-S101 WeakPolarHBondContact O-CB 3.24Å; L97-S101 PolarHBondContact O-N 2.86Å |
| 98 | H | 67.7 | Low | 66.2 | Low | 96 Ų | 96 | 83.7 Ų | 83.7 | 44% | 0.444 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69 | -41.6 | 177.5 | -166.4 | 60.1 | 0 | 0 | 0 | 112.1 | E94 T95 Q96 S101 K102 | E94-H98 PolarHBondContact O-N 2.81Å; E94-H98 VanDerWaalsContact O-N 3.07Å; T95-H98 PolarHBondContact O-N 3.4Å; Q96-H98 VanDerWaalsContact C-N 3.31Å; Q96-H98 PolarHBondContact O-N 3.2Å; H98-S101 PolarHBondContact O-N 3.47Å; H98-K102 WeakPolarHBondContact NE2-CE 3.17Å; H98-K102 PolarHBondContact NE2-NZ 3.05Å; H98-K102 VanDerWaalsContact NE2-NZ 3.19Å; H98-K102 WeakPolarHBondContact O-CG 3.47Å; H98-K102 PolarHBondContact O-N 3.39Å |
| 99 | E | 71.8 | Confident | 68.5 | Low | 138 Ų | 138 | 74.8 Ų | 74.8 | 65% | 0.645 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -63.1 | -45.2 | 174 | -71.7 | -177.1 | 170.6 | 0 | 0 | 112.3 | T95 Q96 S101 K102 A103 | T95-E99 PolarHBondContact O-N 3.33Å; Q96-E99 PolarHBondContact O-N 3.01Å; E99-S101 VanDerWaalsContact C-N 3.3Å; E99-S101 PolarHBondContact O-N 3.22Å; E99-K102 WeakPolarHBondContact O-CB 3.4Å; E99-K102 PolarHBondContact O-N 3.04Å; E99-A103 WeakPolarHBondContact O-CB 3.3Å; E99-A103 PolarHBondContact O-N 3.32Å |
| 100 | L | 74.9 | Confident | 70.7 | Confident | 70 Ų | 70 | 70.1 Ų | 70.1 | 37% | 0.366 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.6 | -38.8 | 174.4 | -89.4 | 151.7 | 0 | 0 | 0 | 112.2 | Q96 K102 A103 S104 L306 | Q96-L100 WeakPolarHBondContact O-CB 3.45Å; Q96-L100 WeakPolarHBondContact O-CD1 3.27Å; Q96-L100 PolarHBondContact O-N 3.07Å; L100-K102 VanDerWaalsContact C-N 3.35Å; L100-A103 PolarHBondContact O-N 3.28Å; L100-S104 WeakPolarHBondContact O-CB 3.46Å; L100-S104 PolarHBondContact O-N 2.94Å; L100-S104 PolarHBondContact O-OG 3.48Å; L100-L306 HydrophobicContact CD2-CD2 4.02Å |
| 101 | S | 79.6 | Confident | 73 | Confident | 19 Ų | 19 | 65.6 Ų | 65.6 | 13% | 0.133 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67.7 | -34.8 | 176.6 | -161.3 | 0 | 0 | 0 | 0 | 112.3 | L97 H98 E99 S104 Q105 R309 P311 | L97-S101 WeakPolarHBondContact O-CB 3.24Å; L97-S101 PolarHBondContact O-N 2.86Å; H98-S101 PolarHBondContact O-N 3.47Å; E99-S101 VanDerWaalsContact C-N 3.3Å; E99-S101 PolarHBondContact O-N 3.22Å; S101-S104 WeakPolarHBondContact CA-OG 3.46Å; S101-S104 PolarHBondContact O-OG 2.92Å; S101-Q105 WeakPolarHBondContact O-CG 3.4Å; S101-Q105 PolarHBondContact O-N 3.34Å; S101-Q105 PolarHBondContact O-NE2 3.16Å; S101-R309 WeakPolarHBondContact CA-O 3.22Å; S101-R309 WeakPolarHBondContact CB-O 3.43Å; S101-R309 PolarHBondContact OG-O 2.87Å; S101-P311 VanDerWaalsContact OG-CD 3.32Å; S101-P311 WeakPolarHBondContact OG-CD 3.19Å; S101-P311 WeakPolarHBondContact OG-CG 3.3Å |
| 102 | K | 74.5 | Confident | 74.8 | Confident | 55 Ų | 55 | 60 Ų | 60 | 24% | 0.239 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.8 | -45.4 | 171.1 | -71.8 | 176.9 | -179.8 | 172.7 | 0 | 111.9 | H98 E99 L100 S104 Q105 L106 | H98-K102 WeakPolarHBondContact NE2-CE 3.17Å; H98-K102 PolarHBondContact NE2-NZ 3.05Å; H98-K102 VanDerWaalsContact NE2-NZ 3.19Å; H98-K102 WeakPolarHBondContact O-CG 3.47Å; H98-K102 PolarHBondContact O-N 3.39Å; E99-K102 WeakPolarHBondContact O-CB 3.4Å; E99-K102 PolarHBondContact O-N 3.04Å; L100-K102 VanDerWaalsContact C-N 3.35Å; K102-S104 VanDerWaalsContact C-N 3.29Å; K102-S104 PolarHBondContact O-N 2.98Å; K102-Q105 PolarHBondContact O-N 3.4Å; K102-L106 PolarHBondContact O-N 3.46Å |
| 103 | A | 79 | Confident | 76.4 | Confident | 45 Ų | 45 | 57.9 Ų | 57.9 | 37% | 0.372 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.5 | -40.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E99 L100 L106 K107 | E99-A103 WeakPolarHBondContact O-CB 3.3Å; E99-A103 PolarHBondContact O-N 3.32Å; L100-A103 PolarHBondContact O-N 3.28Å; A103-L106 PolarHBondContact O-N 3.46Å; A103-K107 VanDerWaalsContact O-CB 3.29Å; A103-K107 WeakPolarHBondContact O-CB 3.36Å; A103-K107 PolarHBondContact O-N 3.06Å |
| 104 | S | 83.4 | Confident | 77.9 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.8 | -37.7 | 175.9 | 63.7 | 0 | 0 | 0 | 0 | 113.4 | L100 S101 K102 L108 L306 | L100-S104 WeakPolarHBondContact O-CB 3.46Å; L100-S104 PolarHBondContact O-N 2.94Å; L100-S104 PolarHBondContact O-OG 3.48Å; S101-S104 WeakPolarHBondContact CA-OG 3.46Å; S101-S104 PolarHBondContact O-OG 2.92Å; K102-S104 VanDerWaalsContact C-N 3.29Å; K102-S104 PolarHBondContact O-N 2.98Å; S104-L108 WeakPolarHBondContact O-CB 3.19Å; S104-L108 PolarHBondContact O-N 3.05Å; S104-L306 WeakPolarHBondContact CB-O 3.26Å |
| 105 | Q | 85 | Confident | 79.5 | Confident | 12 Ų | 12 | 53.8 Ų | 53.8 | 6% | 0.056 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.5 | -43 | 173.2 | -74.1 | 168.9 | 84.4 | 0 | 0 | 112.1 | S101 K102 L108 M109 L138 R141 L142 L310 P311 V314 | S101-Q105 WeakPolarHBondContact O-CG 3.4Å; S101-Q105 PolarHBondContact O-N 3.34Å; S101-Q105 PolarHBondContact O-NE2 3.16Å; K102-Q105 PolarHBondContact O-N 3.4Å; Q105-L108 PolarHBondContact O-N 3.02Å; Q105-M109 WeakPolarHBondContact O-CB 3.23Å; Q105-M109 PolarHBondContact O-N 3.19Å; Q105-L138 HydrophobicContact CB-CD2 4.43Å; Q105-L138 HydrophobicContact CG-CD2 4.31Å; Q105-R141 VanDerWaalsContact OE1-NE 3.14Å; Q105-L142 HydrophobicContact CB-CD1 4.45Å; Q105-L142 HydrophobicContact CB-CD2 4.1Å; Q105-L310 HydrophobicContact CG-CD2 3.97Å; Q105-P311 HydrophobicContact CG-CG 4.13Å; Q105-V314 HydrophobicContact CG-CG2 4.29Å |
| 106 | L | 82.2 | Confident | 81 | Confident | 37 Ų | 37 | 49.1 Ų | 49.1 | 19% | 0.194 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.4 | -43.4 | 175.5 | -75.6 | 168.9 | 0 | 0 | 0 | 111.5 | K102 A103 M109 L110 L142 A155 V159 | K102-L106 PolarHBondContact O-N 3.46Å; A103-L106 PolarHBondContact O-N 3.46Å; L106-M109 PolarHBondContact O-N 3.2Å; L106-L110 WeakPolarHBondContact O-CG 3.37Å; L106-L110 PolarHBondContact O-N 3.41Å; L106-L142 HydrophobicContact CD2-CD1 4.05Å; L106-A155 HydrophobicContact CD1-CB 4.34Å; L106-V159 HydrophobicContact CD2-CG2 3.6Å |
| 107 | K | 85.1 | Confident | 82.2 | Confident | 71 Ų | 71 | 49.9 Ų | 49.9 | 31% | 0.309 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.7 | -50.8 | 175 | 176.9 | 54 | 177 | 156.8 | 0 | 110.8 | A103 M109 L110 D111 L306 Y307 | A103-K107 VanDerWaalsContact O-CB 3.29Å; A103-K107 WeakPolarHBondContact O-CB 3.36Å; A103-K107 PolarHBondContact O-N 3.06Å; K107-M109 VanDerWaalsContact C-N 3.3Å; K107-M109 PolarHBondContact O-N 3.14Å; K107-L110 WeakPolarHBondContact O-CB 3.23Å; K107-L110 PolarHBondContact O-N 3.39Å; K107-D111 VanDerWaalsContact CD-OD2 3.23Å; K107-D111 WeakPolarHBondContact CD-OD2 3.42Å; K107-D111 WeakPolarHBondContact CE-OD1 3.47Å; K107-D111 WeakPolarHBondContact CE-OD2 3.28Å; K107-D111 WeakPolarHBondContact CG-OD2 3.44Å; K107-D111 IonicContact NZ-OD1 2.68Å; K107-D111 PolarHBondContact NZ-OD1 2.96Å; K107-D111 IonicContact NZ-OD2 3.29Å; K107-D111 PolarHBondContact NZ-OD2 3.08Å; K107-D111 PolarHBondContact O-N 3.37Å; K107-L306 HydrophobicContact CG-CD1 4.45Å; K107-Y307 HydrophobicContact CG-CE1 4.19Å |
| 108 | L | 85.9 | Confident | 83.4 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.7 | -43.5 | 176.6 | 177.3 | 61.1 | 0 | 0 | 0 | 112.3 | S104 Q105 L110 D111 I112 L134 L138 F295 Y307 L310 V314 | S104-L108 WeakPolarHBondContact O-CB 3.19Å; S104-L108 PolarHBondContact O-N 3.05Å; Q105-L108 PolarHBondContact O-N 3.02Å; L108-L110 VanDerWaalsContact C-N 3.29Å; L108-L110 PolarHBondContact O-N 2.71Å; L108-D111 PolarHBondContact O-N 3.18Å; L108-I112 HydrophobicContact CD1-CD1 4.45Å; L108-I112 HydrophobicContact CD1-CG1 4.33Å; L108-I112 HydrophobicContact CG-CD1 4.16Å; L108-I112 WeakPolarHBondContact O-CD1 3.49Å; L108-I112 VanDerWaalsContact O-CG1 3.27Å; L108-I112 WeakPolarHBondContact O-CG1 3.38Å; L108-I112 PolarHBondContact O-N 2.95Å; L108-L134 HydrophobicContact CD2-CD2 4.38Å; L108-L138 HydrophobicContact CB-CD1 4.4Å; L108-L138 HydrophobicContact CD2-CD1 3.54Å; L108-L138 HydrophobicContact CD2-CD2 4.44Å; L108-L138 HydrophobicContact CG-CD1 3.68Å; L108-F295 HydrophobicContact CD1-CE1 3.98Å; L108-F295 HydrophobicContact CD1-CZ 3.51Å; L108-F295 HydrophobicContact CD2-CD1 4.43Å; L108-F295 HydrophobicContact CD2-CE1 3.43Å; L108-F295 VanDerWaalsContact CD2-CE1 3.43Å; L108-F295 HydrophobicContact CD2-CZ 3.89Å; L108-F295 HydrophobicContact CG-CE1 4.35Å; L108-F295 HydrophobicContact CG-CZ 4.34Å; L108-Y307 HydrophobicContact CB-CE1 4.05Å; L108-Y307 HydrophobicContact CD1-CE1 4.27Å; L108-L310 HydrophobicContact CB-CD2 4.43Å; L108-L310 HydrophobicContact CD2-CD1 4.09Å; L108-L310 HydrophobicContact CD2-CD2 3.85Å; L108-V314 HydrophobicContact CD2-CG1 3.98Å |
| 109 | M | 85.5 | Confident | 84.5 | Confident | 6 Ų | 6 | 46.5 Ų | 46.5 | 3% | 0.03 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.4 | -38 | 176.6 | -172.9 | 179.5 | -178.1 | 0 | 0 | 112.6 | Q105 L106 K107 P113 L142 V159 A162 W163 | Q105-M109 WeakPolarHBondContact O-CB 3.23Å; Q105-M109 PolarHBondContact O-N 3.19Å; L106-M109 PolarHBondContact O-N 3.2Å; K107-M109 VanDerWaalsContact C-N 3.3Å; K107-M109 PolarHBondContact O-N 3.14Å; M109-P113 WeakPolarHBondContact O-CD 3.09Å; M109-L142 HydrophobicContact CB-CD1 4.48Å; M109-L142 HydrophobicContact SD-CD1 3.83Å; M109-V159 HydrophobicContact CE-CB 4.33Å; M109-V159 HydrophobicContact CE-CG1 3.8Å; M109-V159 WeakPolarHBondContact CE-O 3.46Å; M109-V159 HydrophobicContact SD-CB 4.14Å; M109-V159 HydrophobicContact SD-CG1 3.9Å; M109-V159 HydrophobicContact SD-CG2 3.98Å; M109-A162 HydrophobicContact CE-CB 3.78Å; M109-A162 HydrophobicContact CG-CB 4.1Å; M109-A162 HydrophobicContact SD-CB 4.2Å; M109-W163 HydrophobicContact CE-CB 3.91Å |
| 110 | L | 84.5 | Confident | 85.4 | Confident | 90 Ų | 90 | 40.7 Ų | 40.7 | 47% | 0.471 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -72.2 | -28.6 | 177 | -68.2 | 170 | 0 | 0 | 0 | 112.9 | L106 K107 L108 P113 A162 | L106-L110 WeakPolarHBondContact O-CG 3.37Å; L106-L110 PolarHBondContact O-N 3.41Å; K107-L110 WeakPolarHBondContact O-CB 3.23Å; K107-L110 PolarHBondContact O-N 3.39Å; L108-L110 VanDerWaalsContact C-N 3.29Å; L108-L110 PolarHBondContact O-N 2.71Å; L110-P113 WeakPolarHBondContact O-CD 3.47Å; L110-A162 HydrophobicContact CD2-CB 4.03Å |
| 111 | D | 87 | Confident | 86 | Confident | 18 Ų | 18 | 43.5 Ų | 43.5 | 10% | 0.096 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -86 | -25.8 | -177.7 | -59.4 | -34.8 | 0 | 0 | 0 | 113 | K107 L108 E114 L115 Y307 | K107-D111 VanDerWaalsContact CD-OD2 3.23Å; K107-D111 WeakPolarHBondContact CD-OD2 3.42Å; K107-D111 WeakPolarHBondContact CE-OD1 3.47Å; K107-D111 WeakPolarHBondContact CE-OD2 3.28Å; K107-D111 WeakPolarHBondContact CG-OD2 3.44Å; K107-D111 IonicContact NZ-OD1 2.68Å; K107-D111 PolarHBondContact NZ-OD1 2.96Å; K107-D111 IonicContact NZ-OD2 3.29Å; K107-D111 PolarHBondContact NZ-OD2 3.08Å; K107-D111 PolarHBondContact O-N 3.37Å; L108-D111 PolarHBondContact O-N 3.18Å; D111-E114 PolarHBondContact O-N 3.06Å; D111-E114 VanDerWaalsContact O-N 3.07Å; D111-L115 WeakPolarHBondContact O-CG 3.45Å; D111-L115 PolarHBondContact O-N 3.39Å; D111-Y307 PolarHBondContact OD2-OH 3.13Å |
| 112 | I | 89 | Confident | 86.4 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -52.1 | -44.6 | -179 | -79.6 | 158.9 | 0 | 0 | 0 | 113.7 | L108 E114 L115 I116 M131 L134 L138 L166 | L108-I112 HydrophobicContact CD1-CD1 4.45Å; L108-I112 HydrophobicContact CD1-CG1 4.33Å; L108-I112 HydrophobicContact CG-CD1 4.16Å; L108-I112 WeakPolarHBondContact O-CD1 3.49Å; L108-I112 VanDerWaalsContact O-CG1 3.27Å; L108-I112 WeakPolarHBondContact O-CG1 3.38Å; L108-I112 PolarHBondContact O-N 2.95Å; I112-E114 VanDerWaalsContact C-N 3.33Å; I112-E114 PolarHBondContact O-N 3.45Å; I112-L115 WeakPolarHBondContact O-CB 3.48Å; I112-L115 PolarHBondContact O-N 3.46Å; I112-I116 HydrophobicContact CG2-CD1 3.64Å; I112-I116 HydrophobicContact CG2-CG1 4.26Å; I112-I116 WeakPolarHBondContact O-CG1 3.35Å; I112-I116 PolarHBondContact O-N 3.42Å; I112-M131 HydrophobicContact CG2-CB 4.42Å; I112-M131 WeakPolarHBondContact CG2-O 3.24Å; I112-L134 HydrophobicContact CD1-CD2 4.27Å; I112-L134 HydrophobicContact CD1-CG 4.2Å; I112-L138 HydrophobicContact CD1-CD1 3.52Å; I112-L166 HydrophobicContact CG2-CD1 3.71Å; I112-L166 HydrophobicContact CG2-CD2 4.36Å |
| 113 | P | 89.1 | Confident | 86.9 | Confident | 21 Ų | 21 | 46 Ų | 46 | 14% | 0.136 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55.8 | -44.5 | 175.8 | -27.4 | 35.4 | 0 | 0 | 0 | 113.2 | M109 L110 I116 W117 L166 M169 | M109-P113 WeakPolarHBondContact O-CD 3.09Å; L110-P113 WeakPolarHBondContact O-CD 3.47Å; P113-I116 PolarHBondContact O-N 3.28Å; P113-W117 PolarHBondContact O-N 2.93Å; P113-W117 VanDerWaalsContact O-N 3.11Å; P113-L166 HydrophobicContact CG-CD1 4.45Å; P113-M169 HydrophobicContact CB-CE 4.22Å; P113-M169 WeakPolarHBondContact O-CE 3.22Å |
| 114 | E | 87.6 | Confident | 87.4 | Confident | 130 Ų | 130 | 50.5 Ų | 50.5 | 61% | 0.607 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -66.4 | -39.8 | 177.2 | -63.3 | -173.4 | 172.1 | 0 | 0 | 111.6 | D111 I112 I116 W117 N118 | D111-E114 PolarHBondContact O-N 3.06Å; D111-E114 VanDerWaalsContact O-N 3.07Å; I112-E114 VanDerWaalsContact C-N 3.33Å; I112-E114 PolarHBondContact O-N 3.45Å; E114-I116 VanDerWaalsContact C-N 3.31Å; E114-I116 PolarHBondContact O-N 3.15Å; E114-W117 PolarHBondContact O-N 3.4Å; E114-N118 WeakPolarHBondContact O-CB 3.45Å; E114-N118 PolarHBondContact O-N 3.45Å; E114-N118 PolarHBondContact O-ND2 2.97Å |
| 115 | L | 88.4 | Confident | 87.8 | Confident | 22 Ų | 22 | 50.6 Ų | 50.6 | 12% | 0.115 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.3 | -41.2 | 175.5 | -66.8 | 177.1 | 0 | 0 | 0 | 111.9 | D111 I112 N118 Y119 M131 I300 | D111-L115 WeakPolarHBondContact O-CG 3.45Å; D111-L115 PolarHBondContact O-N 3.39Å; I112-L115 WeakPolarHBondContact O-CB 3.48Å; I112-L115 PolarHBondContact O-N 3.46Å; L115-N118 PolarHBondContact O-N 3.18Å; L115-Y119 HydrophobicContact CB-CE2 4.46Å; L115-Y119 WeakPolarHBondContact O-CD2 3.06Å; L115-Y119 PolarHBondContact O-N 3.32Å; L115-M131 HydrophobicContact CD1-SD 4.41Å; L115-I300 HydrophobicContact CD1-CD1 4.06Å; L115-I300 HydrophobicContact CD2-CD1 3.69Å; L115-I300 HydrophobicContact CD2-CG1 4.39Å; L115-I300 HydrophobicContact CD2-CG2 4.19Å; L115-I300 HydrophobicContact CG-CD1 4.44Å |
| 116 | I | 90.7 | Very high | 88 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.7 | -48.2 | 176.5 | -74.4 | 166.6 | 0 | 0 | 0 | 110.6 | I112 P113 E114 N118 Y119 M120 S128 M131 F132 L166 M169 V173 | I112-I116 HydrophobicContact CG2-CD1 3.64Å; I112-I116 HydrophobicContact CG2-CG1 4.26Å; I112-I116 WeakPolarHBondContact O-CG1 3.35Å; I112-I116 PolarHBondContact O-N 3.42Å; P113-I116 PolarHBondContact O-N 3.28Å; E114-I116 VanDerWaalsContact C-N 3.31Å; E114-I116 PolarHBondContact O-N 3.15Å; I116-N118 PolarHBondContact O-N 3.4Å; I116-Y119 PolarHBondContact O-N 3.37Å; I116-M120 HydrophobicContact CG2-CE 3.93Å; I116-M120 HydrophobicContact CG2-CG 4.45Å; I116-M120 HydrophobicContact CG2-SD 4.39Å; I116-M120 WeakPolarHBondContact O-CG 3.43Å; I116-M120 PolarHBondContact O-N 2.66Å; I116-S128 WeakPolarHBondContact CG2-OG 3.35Å; I116-M131 HydrophobicContact CD1-CB 4.3Å; I116-M131 HydrophobicContact CG1-CB 3.67Å; I116-F132 HydrophobicContact CD1-CB 4.14Å; I116-L166 HydrophobicContact CD1-CD1 3.36Å; I116-M169 HydrophobicContact CB-CE 3.55Å; I116-M169 HydrophobicContact CD1-CE 4.43Å; I116-M169 HydrophobicContact CG2-CB 4.39Å; I116-M169 HydrophobicContact CG2-CE 3.29Å; I116-M169 HydrophobicContact CG2-SD 4.4Å; I116-V173 HydrophobicContact CG2-CG2 4.02Å |
| 117 | W | 90.9 | Very high | 88.3 | Confident | 129 Ų | 129 | 49 Ų | 49 | 49% | 0.489 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.7 | -46.9 | 175.5 | -77.9 | 113.5 | 0 | 0 | 0 | 111.9 | P113 E114 Y119 M120 D121 M169 A172 | P113-W117 PolarHBondContact O-N 2.93Å; P113-W117 VanDerWaalsContact O-N 3.11Å; E114-W117 PolarHBondContact O-N 3.4Å; W117-Y119 VanDerWaalsContact C-N 3.31Å; W117-Y119 PolarHBondContact O-N 2.9Å; W117-M120 HydrophobicContact CD2-CE 3.55Å; W117-M120 HydrophobicContact CE3-CE 3.19Å; W117-M120 HydrophobicContact CG-CE 4.25Å; W117-M120 HydrophobicContact CH2-CE 3.84Å; W117-M120 HydrophobicContact CZ2-CE 4.17Å; W117-M120 HydrophobicContact CZ3-CE 3.35Å; W117-M120 PolarHBondContact O-N 2.86Å; W117-M120 VanDerWaalsContact O-N 3.11Å; W117-D121 PolarHBondContact O-N 3.33Å; W117-M169 HydrophobicContact CD2-CE 4.24Å; W117-M169 HydrophobicContact CD2-SD 4.47Å; W117-M169 VanDerWaalsContact CE2-SD 3.52Å; W117-M169 HydrophobicContact CG-CE 3.93Å; W117-M169 HydrophobicContact CZ2-SD 3.71Å; W117-M169 PolarHBondContact NE1-SD 2.88Å; W117-A172 HydrophobicContact CH2-CB 4.43Å |
| 118 | N | 90.4 | Very high | 88.6 | Confident | 89 Ų | 89 | 45.6 Ų | 45.6 | 48% | 0.476 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58 | -42.6 | 177.1 | -70.6 | -27.9 | 0 | 0 | 0 | 112 | E114 L115 I116 L122 | E114-N118 WeakPolarHBondContact O-CB 3.45Å; E114-N118 PolarHBondContact O-N 3.45Å; E114-N118 PolarHBondContact O-ND2 2.97Å; L115-N118 PolarHBondContact O-N 3.18Å; I116-N118 PolarHBondContact O-N 3.4Å; N118-L122 WeakPolarHBondContact O-CB 3.37Å; N118-L122 WeakPolarHBondContact O-CG 3.4Å; N118-L122 PolarHBondContact O-N 3Å; N118-L122 VanDerWaalsContact O-N 3.08Å |
| 119 | Y | 90.6 | Very high | 88.8 | Confident | 23 Ų | 23 | 45.5 Ų | 45.5 | 9% | 0.09 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.3 | -36.3 | 176.5 | -76.3 | -55.7 | 0 | 0 | 0 | 113 | L115 I116 W117 L122 G123 R124 M131 I300 | L115-Y119 HydrophobicContact CB-CE2 4.46Å; L115-Y119 WeakPolarHBondContact O-CD2 3.06Å; L115-Y119 PolarHBondContact O-N 3.32Å; I116-Y119 PolarHBondContact O-N 3.37Å; W117-Y119 VanDerWaalsContact C-N 3.31Å; W117-Y119 PolarHBondContact O-N 2.9Å; Y119-L122 PolarHBondContact O-N 3.15Å; Y119-G123 PolarHBondContact O-N 3.24Å; Y119-R124 HydrophobicContact CD1-CB 4.19Å; Y119-R124 PolarHBondContact O-N 2.87Å; Y119-M131 HydrophobicContact CD2-CG 3.94Å; Y119-M131 HydrophobicContact CE2-CE 3.86Å; Y119-M131 HydrophobicContact CE2-CG 3.75Å; Y119-M131 HydrophobicContact CE2-SD 4.45Å; Y119-I300 HydrophobicContact CE2-CD1 4.16Å; Y119-I300 WeakPolarHBondContact OH-CD1 3.45Å |
| 120 | M | 89.9 | Confident | 88.9 | Confident | 16 Ų | 16 | 45.7 Ų | 45.7 | 8% | 0.079 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.5 | -42.5 | 175 | -73.7 | -165.1 | -61.2 | 0 | 0 | 112 | I116 W117 L122 G123 V173 A176 | I116-M120 HydrophobicContact CG2-CE 3.93Å; I116-M120 HydrophobicContact CG2-CG 4.45Å; I116-M120 HydrophobicContact CG2-SD 4.39Å; I116-M120 WeakPolarHBondContact O-CG 3.43Å; I116-M120 PolarHBondContact O-N 2.66Å; W117-M120 HydrophobicContact CD2-CE 3.55Å; W117-M120 HydrophobicContact CE3-CE 3.19Å; W117-M120 HydrophobicContact CG-CE 4.25Å; W117-M120 HydrophobicContact CH2-CE 3.84Å; W117-M120 HydrophobicContact CZ2-CE 4.17Å; W117-M120 HydrophobicContact CZ3-CE 3.35Å; W117-M120 PolarHBondContact O-N 2.86Å; W117-M120 VanDerWaalsContact O-N 3.11Å; M120-L122 VanDerWaalsContact C-N 3.3Å; M120-L122 PolarHBondContact O-N 3.36Å; M120-G123 WeakPolarHBondContact O-CA 3.5Å; M120-G123 PolarHBondContact O-N 3.45Å; M120-V173 HydrophobicContact CG-CG2 4.25Å; M120-V173 HydrophobicContact SD-CB 4.25Å; M120-V173 HydrophobicContact SD-CG2 3.53Å; M120-V173 VanDerWaalsContact SD-CG2 3.53Å; M120-A176 HydrophobicContact SD-CB 4.34Å |
| 121 | D | 87.3 | Confident | 89.1 | Confident | 129 Ų | 129 | 41.5 Ų | 41.5 | 69% | 0.69 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -65.1 | -35.1 | 177 | -71.1 | -17.2 | 0 | 0 | 0 | 111.6 | W117 G123 | W117-D121 PolarHBondContact O-N 3.33Å; D121-G123 PolarHBondContact O-N 2.86Å |
| 122 | L | 87.9 | Confident | 89.2 | Confident | 120 Ų | 120 | 40.8 Ų | 40.8 | 63% | 0.628 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -3.5 | 171.5 | -67.4 | 174.4 | 0 | 0 | 0 | 113.8 | N118 Y119 M120 R124 | N118-L122 WeakPolarHBondContact O-CB 3.37Å; N118-L122 WeakPolarHBondContact O-CG 3.4Å; N118-L122 PolarHBondContact O-N 3Å; N118-L122 VanDerWaalsContact O-N 3.08Å; Y119-L122 PolarHBondContact O-N 3.15Å; M120-L122 VanDerWaalsContact C-N 3.3Å; M120-L122 PolarHBondContact O-N 3.36Å; L122-R124 VanDerWaalsContact C-N 3.27Å; L122-R124 HydrophobicContact CB-CG 4.39Å; L122-R124 PolarHBondContact O-N 2.85Å |
| 123 | G | 85.5 | Confident | 89.1 | Confident | 6 Ų | 6 | 42.5 Ų | 42.5 | 6% | 0.062 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71 | 15.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y119 M120 D121 H125 R180 | Y119-G123 PolarHBondContact O-N 3.24Å; M120-G123 WeakPolarHBondContact O-CA 3.5Å; M120-G123 PolarHBondContact O-N 3.45Å; D121-G123 PolarHBondContact O-N 2.86Å; G123-H125 PolarHBondContact O-N 3.46Å; G123-R180 VanDerWaalsContact CA-NH2 3.29Å |
| 124 | R | 89.2 | Confident | 89.1 | Confident | 139 Ų | 139 | 41.5 Ų | 41.5 | 53% | 0.525 | 20% | 0.195 | S | C | . | . | trans | -94.9 | 70.4 | 179.3 | -63.4 | -177.6 | -178.8 | 177.5 | 0.6 | 110.6 | Y119 L122 S126 S127 S128 D193 | Y119-R124 HydrophobicContact CD1-CB 4.19Å; Y119-R124 PolarHBondContact O-N 2.87Å; L122-R124 VanDerWaalsContact C-N 3.27Å; L122-R124 HydrophobicContact CB-CG 4.39Å; L122-R124 PolarHBondContact O-N 2.85Å; R124-S126 VanDerWaalsContact C-N 3.32Å; R124-S126 PolarHBondContact O-N 3.38Å; R124-S127 WeakPolarHBondContact O-CB 3.03Å; R124-S127 PolarHBondContact O-N 2.92Å; R124-S128 PolarHBondContact O-N 3.46Å; R124-S128 VanDerWaalsContact O-N 3.14Å; R124-D193 VanDerWaalsContact C-OD2 3.22Å; R124-D193 WeakPolarHBondContact CA-OD2 3.47Å | ||
| 125 | H | 91.3 | Very high | 89.1 | Confident | 3 Ų | 3 | 35.3 Ų | 35.3 | 1% | 0.014 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.5 | -34.6 | -177.9 | -59 | -61.2 | 0 | 0 | 0 | 113.3 | G123 S127 S128 A129 R180 D193 A197 | G123-H125 PolarHBondContact O-N 3.46Å; H125-S127 VanDerWaalsContact C-N 3.28Å; H125-S127 PolarHBondContact O-N 3.2Å; H125-S128 VanDerWaalsContact O-CB 3.3Å; H125-S128 WeakPolarHBondContact O-CB 3.45Å; H125-S128 PolarHBondContact O-N 3.11Å; H125-A129 PolarHBondContact O-N 2.9Å; H125-R180 PolarHBondContact NE2-NH2 3.26Å; H125-D193 PolarHBondContact N-OD2 3.13Å; H125-A197 HydrophobicContact CB-CB 3.57Å; H125-A197 WeakPolarHBondContact O-CB 3.47Å |
| 126 | S | 89.5 | Confident | 89.1 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.4 | -33.5 | 177.6 | 67.9 | 0 | 0 | 0 | 0 | 112.2 | R124 R130 D193 | R124-S126 VanDerWaalsContact C-N 3.32Å; R124-S126 PolarHBondContact O-N 3.38Å; S126-R130 WeakPolarHBondContact O-CG 3.28Å; S126-R130 PolarHBondContact O-N 3.32Å; S126-R130 VanDerWaalsContact O-N 3.08Å; S126-R130 PolarHBondContact O-NE 3.44Å; S126-R130 PolarHBondContact OG-NH2 3.2Å; S126-D193 WeakPolarHBondContact CB-OD1 3.3Å; S126-D193 PolarHBondContact N-OD2 2.95Å; S126-D193 PolarHBondContact OG-OD1 3.37Å |
| 127 | S | 89.3 | Confident | 88.9 | Confident | 13 Ų | 13 | 44.4 Ų | 44.4 | 9% | 0.091 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.7 | -40.5 | 176.3 | -53.3 | 0 | 0 | 0 | 0 | 110.2 | R124 H125 R130 M131 | R124-S127 WeakPolarHBondContact O-CB 3.03Å; R124-S127 PolarHBondContact O-N 2.92Å; H125-S127 VanDerWaalsContact C-N 3.28Å; H125-S127 PolarHBondContact O-N 3.2Å; S127-R130 WeakPolarHBondContact O-CB 3.22Å; S127-R130 PolarHBondContact O-N 3.39Å; S127-R130 PolarHBondContact OG-NH2 3.34Å; S127-M131 WeakPolarHBondContact O-CG 3.37Å; S127-M131 PolarHBondContact O-N 3.48Å |
| 128 | S | 90.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.9 | -47.2 | 172.4 | -179.6 | 0 | 0 | 0 | 0 | 112.3 | I116 R124 H125 R130 M131 F132 V173 | I116-S128 WeakPolarHBondContact CG2-OG 3.35Å; R124-S128 PolarHBondContact O-N 3.46Å; R124-S128 VanDerWaalsContact O-N 3.14Å; H125-S128 VanDerWaalsContact O-CB 3.3Å; H125-S128 WeakPolarHBondContact O-CB 3.45Å; H125-S128 PolarHBondContact O-N 3.11Å; S128-R130 VanDerWaalsContact C-N 3.35Å; S128-R130 PolarHBondContact O-N 2.88Å; S128-M131 PolarHBondContact O-N 3.33Å; S128-F132 PolarHBondContact O-N 3.44Å; S128-V173 WeakPolarHBondContact OG-CG2 3.04Å |
| 129 | A | 90.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.3 | -43.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | H125 M131 F132 F133 A197 L201 | H125-A129 PolarHBondContact O-N 2.9Å; A129-M131 PolarHBondContact O-N 3.13Å; A129-F132 WeakPolarHBondContact O-CB 3.43Å; A129-F132 PolarHBondContact O-N 3.02Å; A129-F133 WeakPolarHBondContact O-CD2 3.32Å; A129-F133 PolarHBondContact O-N 3.34Å; A129-A197 HydrophobicContact CB-CB 4.22Å; A129-L201 HydrophobicContact CB-CD1 4.13Å; A129-L201 HydrophobicContact CB-CD2 4.07Å; A129-L201 HydrophobicContact CB-CG 3.87Å |
| 130 | R | 87.6 | Confident | 88 | Confident | 11 Ų | 11 | 35.3 Ų | 35.3 | 4% | 0.042 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59 | -45 | 175.1 | -77.9 | 178 | -78.2 | 167.4 | -7.8 | 112.8 | S126 S127 S128 F132 F133 L134 M200 W293 L319 | S126-R130 WeakPolarHBondContact O-CG 3.28Å; S126-R130 PolarHBondContact O-N 3.32Å; S126-R130 VanDerWaalsContact O-N 3.08Å; S126-R130 PolarHBondContact O-NE 3.44Å; S126-R130 PolarHBondContact OG-NH2 3.2Å; S127-R130 WeakPolarHBondContact O-CB 3.22Å; S127-R130 PolarHBondContact O-N 3.39Å; S127-R130 PolarHBondContact OG-NH2 3.34Å; S128-R130 VanDerWaalsContact C-N 3.35Å; S128-R130 PolarHBondContact O-N 2.88Å; R130-F132 VanDerWaalsContact C-N 3.31Å; R130-F132 PolarHBondContact O-N 2.92Å; R130-F133 PolarHBondContact O-N 3.08Å; R130-L134 PolarHBondContact O-N 2.91Å; R130-M200 HydrophobicContact CG-CE 4.09Å; R130-W293 HydrophobicContact CB-CE3 4.29Å; R130-W293 HydrophobicContact CB-CH2 4.32Å; R130-W293 HydrophobicContact CB-CZ3 3.98Å; R130-W293 HydrophobicContact CG-CE3 4.11Å; R130-W293 HydrophobicContact CG-CZ3 4.3Å; R130-L319 HydrophobicContact CG-CD1 3.87Å |
| 131 | M | 88.1 | Confident | 87.6 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.6 | -35.4 | 177.7 | -66.6 | -59.2 | 156.7 | 0 | 0 | 111.9 | I112 L115 I116 Y119 S127 S128 A129 L134 G135 W293 F295 I300 | I112-M131 HydrophobicContact CG2-CB 4.42Å; I112-M131 WeakPolarHBondContact CG2-O 3.24Å; L115-M131 HydrophobicContact CD1-SD 4.41Å; I116-M131 HydrophobicContact CD1-CB 4.3Å; I116-M131 HydrophobicContact CG1-CB 3.67Å; Y119-M131 HydrophobicContact CD2-CG 3.94Å; Y119-M131 HydrophobicContact CE2-CE 3.86Å; Y119-M131 HydrophobicContact CE2-CG 3.75Å; Y119-M131 HydrophobicContact CE2-SD 4.45Å; S127-M131 WeakPolarHBondContact O-CG 3.37Å; S127-M131 PolarHBondContact O-N 3.48Å; S128-M131 PolarHBondContact O-N 3.33Å; A129-M131 PolarHBondContact O-N 3.13Å; M131-L134 PolarHBondContact O-N 2.93Å; M131-L134 HydrophobicContact SD-CD2 4.22Å; M131-G135 PolarHBondContact O-N 3.35Å; M131-W293 HydrophobicContact CE-CH2 3.99Å; M131-W293 HydrophobicContact CE-CZ2 4Å; M131-F295 HydrophobicContact CE-CD2 4.4Å; M131-F295 HydrophobicContact CE-CE2 4.13Å; M131-F295 HydrophobicContact SD-CE2 4.19Å; M131-I300 HydrophobicContact CE-CD1 4.36Å |
| 132 | F | 89.7 | Confident | 87.2 | Confident | 3 Ų | 3 | 32.6 Ų | 32.6 | 1% | 0.013 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.6 | -48.3 | 172.4 | 174.3 | -100.2 | 0 | 0 | 0 | 112 | I116 S128 A129 R130 L134 G135 R136 L166 E170 L201 | I116-F132 HydrophobicContact CD1-CB 4.14Å; S128-F132 PolarHBondContact O-N 3.44Å; A129-F132 WeakPolarHBondContact O-CB 3.43Å; A129-F132 PolarHBondContact O-N 3.02Å; R130-F132 VanDerWaalsContact C-N 3.31Å; R130-F132 PolarHBondContact O-N 2.92Å; F132-L134 VanDerWaalsContact C-N 3.33Å; F132-L134 PolarHBondContact O-N 3.23Å; F132-G135 PolarHBondContact O-N 3.27Å; F132-G135 VanDerWaalsContact O-N 3.13Å; F132-R136 PolarHBondContact O-N 2.87Å; F132-L166 HydrophobicContact CD2-CD1 4.22Å; F132-L166 HydrophobicContact CD2-CD2 4.41Å; F132-L166 HydrophobicContact CD2-CG 3.94Å; F132-L166 HydrophobicContact CE2-CG 4.19Å; F132-E170 HydrophobicContact CD2-CB 4.33Å; F132-E170 HydrophobicContact CE1-CB 4.22Å; F132-E170 HydrophobicContact CE1-CG 4.01Å; F132-E170 HydrophobicContact CE2-CB 3.69Å; F132-E170 HydrophobicContact CE2-CG 4.38Å; F132-E170 HydrophobicContact CZ-CB 3.62Å; F132-E170 HydrophobicContact CZ-CG 3.84Å; F132-E170 VanDerWaalsContact CZ-OE2 3.3Å; F132-E170 WeakPolarHBondContact CZ-OE2 3.41Å; F132-L201 HydrophobicContact CB-CD2 4.49Å; F132-L201 HydrophobicContact CD1-CD2 3.48Å; F132-L201 VanDerWaalsContact CD1-CD2 3.48Å; F132-L201 HydrophobicContact CE1-CD2 4.04Å; F132-L201 HydrophobicContact CG-CD2 4.22Å |
| 133 | F | 88 | Confident | 86.8 | Confident | 36 Ų | 36 | 29.9 Ų | 29.9 | 16% | 0.158 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.8 | -37.8 | 176.3 | -77.3 | -66 | 0 | 0 | 0 | 113.1 | A129 R130 G135 R136 Y137 M200 L201 F317 L319 | A129-F133 WeakPolarHBondContact O-CD2 3.32Å; A129-F133 PolarHBondContact O-N 3.34Å; R130-F133 PolarHBondContact O-N 3.08Å; F133-G135 VanDerWaalsContact C-N 3.33Å; F133-R136 PolarHBondContact O-N 3.42Å; F133-Y137 PolarHBondContact O-N 2.94Å; F133-M200 HydrophobicContact CE2-CB 4.2Å; F133-M200 VanDerWaalsContact CZ-O 3.23Å; F133-M200 WeakPolarHBondContact CZ-O 3.17Å; F133-L201 HydrophobicContact CE2-CD2 3.94Å; F133-L201 HydrophobicContact CZ-CD2 4.22Å; F133-F317 HydrophobicContact CB-CE1 4.36Å; F133-F317 HydrophobicContact CB-CZ 4.23Å; F133-L319 HydrophobicContact CB-CD2 3.49Å; F133-L319 VanDerWaalsContact CB-CD2 3.49Å; F133-L319 HydrophobicContact CD1-CD2 4.12Å; F133-L319 HydrophobicContact CD2-CD2 3.43Å; F133-L319 VanDerWaalsContact CD2-CD2 3.43Å; F133-L319 HydrophobicContact CE2-CD2 4.18Å; F133-L319 HydrophobicContact CG-CD2 3.41Å; F133-L319 VanDerWaalsContact CG-CD2 3.41Å |
| 134 | L | 87.3 | Confident | 86 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.6 | -43.3 | 172.6 | 179 | 66.4 | 0 | 0 | 0 | 111.1 | L108 I112 R130 M131 F132 R136 Y137 L138 F295 V314 F317 | L108-L134 HydrophobicContact CD2-CD2 4.38Å; I112-L134 HydrophobicContact CD1-CD2 4.27Å; I112-L134 HydrophobicContact CD1-CG 4.2Å; R130-L134 PolarHBondContact O-N 2.91Å; M131-L134 PolarHBondContact O-N 2.93Å; M131-L134 HydrophobicContact SD-CD2 4.22Å; F132-L134 VanDerWaalsContact C-N 3.33Å; F132-L134 PolarHBondContact O-N 3.23Å; L134-R136 VanDerWaalsContact C-N 3.33Å; L134-R136 PolarHBondContact O-N 2.93Å; L134-Y137 PolarHBondContact O-N 2.91Å; L134-L138 HydrophobicContact CD1-CD1 4.33Å; L134-L138 HydrophobicContact CD1-CG 4.44Å; L134-L138 HydrophobicContact CG-CD1 4Å; L134-L138 WeakPolarHBondContact O-CB 3.45Å; L134-L138 VanDerWaalsContact O-CG 3.3Å; L134-L138 WeakPolarHBondContact O-CG 3.48Å; L134-L138 PolarHBondContact O-N 3.41Å; L134-F295 HydrophobicContact CD1-CD1 4.32Å; L134-F295 HydrophobicContact CD1-CG 4.38Å; L134-F295 HydrophobicContact CD2-CD1 3.93Å; L134-F295 HydrophobicContact CD2-CD2 3.52Å; L134-F295 HydrophobicContact CD2-CE1 3.79Å; L134-F295 HydrophobicContact CD2-CE2 3.39Å; L134-F295 HydrophobicContact CD2-CG 3.81Å; L134-F295 HydrophobicContact CD2-CZ 3.58Å; L134-V314 HydrophobicContact CD1-CG1 4.41Å; L134-F317 HydrophobicContact CB-CD1 4.22Å; L134-F317 HydrophobicContact CB-CE1 4.18Å; L134-F317 HydrophobicContact CD1-CB 3.96Å; L134-F317 HydrophobicContact CD1-CD1 3.7Å; L134-F317 HydrophobicContact CD1-CE1 4.4Å; L134-F317 HydrophobicContact CD1-CG 3.85Å |
| 135 | G | 88.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63 | -37.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | M131 F132 F133 L138 S139 | M131-G135 PolarHBondContact O-N 3.35Å; F132-G135 PolarHBondContact O-N 3.27Å; F132-G135 VanDerWaalsContact O-N 3.13Å; F133-G135 VanDerWaalsContact C-N 3.33Å; G135-L138 PolarHBondContact O-N 2.89Å; G135-S139 WeakPolarHBondContact O-CB 3.47Å; G135-S139 PolarHBondContact O-N 3.13Å; G135-S139 PolarHBondContact O-OG 3.47Å |
| 136 | R | 87.4 | Confident | 83.1 | Confident | 140 Ų | 140 | 43.6 Ų | 43.6 | 53% | 0.528 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65.7 | -40.1 | 172.7 | -174.2 | 173.2 | 176.8 | -171.9 | -2.4 | 112.9 | F132 F133 L134 S139 A140 W163 | F132-R136 PolarHBondContact O-N 2.87Å; F133-R136 PolarHBondContact O-N 3.42Å; L134-R136 VanDerWaalsContact C-N 3.33Å; L134-R136 PolarHBondContact O-N 2.93Å; R136-S139 PolarHBondContact O-OG 2.96Å; R136-A140 WeakPolarHBondContact O-CB 3.33Å; R136-A140 PolarHBondContact O-N 2.85Å; R136-W163 HydrophobicContact CB-CH2 3.62Å; R136-W163 HydrophobicContact CB-CZ3 3.73Å; R136-W163 HydrophobicContact CG-CH2 3.59Å; R136-W163 HydrophobicContact CG-CZ2 4.45Å; R136-W163 HydrophobicContact CG-CZ3 4.15Å |
| 137 | Y | 86.4 | Confident | 81.2 | Confident | 73 Ų | 73 | 47.7 Ų | 47.7 | 29% | 0.286 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.8 | -44.7 | 174.4 | 173.4 | -104.2 | 0 | 0 | 0 | 111.8 | F133 L134 A140 R141 V314 F317 | F133-Y137 PolarHBondContact O-N 2.94Å; L134-Y137 PolarHBondContact O-N 2.91Å; Y137-A140 PolarHBondContact O-N 3.24Å; Y137-R141 VanDerWaalsContact O-CB 3.32Å; Y137-R141 WeakPolarHBondContact O-CB 3.38Å; Y137-R141 PolarHBondContact O-N 3.46Å; Y137-R141 PolarHBondContact OH-NH1 2.89Å; Y137-R141 VanDerWaalsContact OH-NH1 3.14Å; Y137-V314 HydrophobicContact CE1-CG2 4.24Å; Y137-F317 VanDerWaalsContact CB-CE2 3.42Å; Y137-F317 AromaticContact CD1-CD2 3.58Å; Y137-F317 HydrophobicContact CD1-CD2 3.58Å; Y137-F317 HydrophobicContact CD1-CE2 4.09Å; Y137-F317 HydrophobicContact CD1-CG 4.25Å; Y137-F317 AromaticContact CD2-CD2 3.96Å; Y137-F317 HydrophobicContact CD2-CD2 3.96Å; Y137-F317 AromaticContact CD2-CE2 3.91Å; Y137-F317 HydrophobicContact CD2-CE2 3.91Å; Y137-F317 HydrophobicContact CE1-CD2 4.12Å; Y137-F317 HydrophobicContact CE2-CD2 4.46Å; Y137-F317 AromaticContact CG-CD2 3.49Å; Y137-F317 HydrophobicContact CG-CD2 3.49Å; Y137-F317 VanDerWaalsContact CG-CD2 3.49Å; Y137-F317 AromaticContact CG-CE2 3.52Å; Y137-F317 HydrophobicContact CG-CE2 3.52Å; Y137-F317 HydrophobicContact CG-CG 4.5Å |
| 138 | L | 85.8 | Confident | 79.5 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65 | -41.4 | 178.7 | -74.5 | 168.4 | 0 | 0 | 0 | 112.3 | Q105 L108 I112 L134 G135 R141 L142 V314 | Q105-L138 HydrophobicContact CB-CD2 4.43Å; Q105-L138 HydrophobicContact CG-CD2 4.31Å; L108-L138 HydrophobicContact CB-CD1 4.4Å; L108-L138 HydrophobicContact CD2-CD1 3.54Å; L108-L138 HydrophobicContact CD2-CD2 4.44Å; L108-L138 HydrophobicContact CG-CD1 3.68Å; I112-L138 HydrophobicContact CD1-CD1 3.52Å; L134-L138 HydrophobicContact CD1-CD1 4.33Å; L134-L138 HydrophobicContact CD1-CG 4.44Å; L134-L138 HydrophobicContact CG-CD1 4Å; L134-L138 WeakPolarHBondContact O-CB 3.45Å; L134-L138 VanDerWaalsContact O-CG 3.3Å; L134-L138 WeakPolarHBondContact O-CG 3.48Å; L134-L138 PolarHBondContact O-N 3.41Å; G135-L138 PolarHBondContact O-N 2.89Å; L138-R141 PolarHBondContact O-N 2.99Å; L138-L142 VanDerWaalsContact O-CB 3.3Å; L138-L142 WeakPolarHBondContact O-CB 3.47Å; L138-L142 VanDerWaalsContact O-CG 3.24Å; L138-L142 WeakPolarHBondContact O-CG 3.4Å; L138-L142 PolarHBondContact O-N 3.34Å; L138-V314 HydrophobicContact CD2-CG1 3.79Å; L138-V314 HydrophobicContact CD2-CG2 4.02Å |
| 139 | S | 85 | Confident | 77.6 | Confident | 11 Ų | 11 | 59.2 Ų | 59.2 | 8% | 0.077 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64 | -44.6 | 178 | 68.7 | 0 | 0 | 0 | 0 | 111.6 | G135 R136 L142 S143 W163 | G135-S139 WeakPolarHBondContact O-CB 3.47Å; G135-S139 PolarHBondContact O-N 3.13Å; G135-S139 PolarHBondContact O-OG 3.47Å; R136-S139 PolarHBondContact O-OG 2.96Å; S139-L142 PolarHBondContact O-N 3.23Å; S139-S143 VanDerWaalsContact O-CB 3.28Å; S139-S143 WeakPolarHBondContact O-CB 3.28Å; S139-S143 PolarHBondContact O-N 3.46Å; S139-S143 PolarHBondContact O-OG 3Å; S139-S143 VanDerWaalsContact O-OG 3.13Å; S139-W163 VanDerWaalsContact CB-CE3 3.47Å; S139-W163 WeakPolarHBondContact OG-CZ3 3.41Å |
| 140 | A | 83.3 | Confident | 75.6 | Confident | 38 Ų | 38 | 66.6 Ų | 66.6 | 31% | 0.314 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R136 Y137 L142 S143 F144 | R136-A140 WeakPolarHBondContact O-CB 3.33Å; R136-A140 PolarHBondContact O-N 2.85Å; Y137-A140 PolarHBondContact O-N 3.24Å; A140-L142 PolarHBondContact O-N 3.03Å; A140-S143 WeakPolarHBondContact CA-OG 3.48Å; A140-S143 PolarHBondContact O-N 3.49Å; A140-S143 PolarHBondContact O-OG 3.41Å; A140-F144 HydrophobicContact CB-CD2 4.44Å; A140-F144 HydrophobicContact CB-CE2 4.38Å; A140-F144 WeakPolarHBondContact O-CD2 3.26Å; A140-F144 PolarHBondContact O-N 2.91Å |
| 141 | R | 80.8 | Confident | 73.8 | Confident | 70 Ų | 70 | 68.8 Ų | 68.8 | 26% | 0.264 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 178.9 | -175.9 | 179.7 | 174.7 | 113.8 | 4.3 | 112 | Q105 Y137 L138 S143 S145 D313 | Q105-R141 VanDerWaalsContact OE1-NE 3.14Å; Y137-R141 VanDerWaalsContact O-CB 3.32Å; Y137-R141 WeakPolarHBondContact O-CB 3.38Å; Y137-R141 PolarHBondContact O-N 3.46Å; Y137-R141 PolarHBondContact OH-NH1 2.89Å; Y137-R141 VanDerWaalsContact OH-NH1 3.14Å; L138-R141 PolarHBondContact O-N 2.99Å; R141-S143 VanDerWaalsContact C-N 3.33Å; R141-S145 PolarHBondContact O-N 2.71Å; R141-D313 IonicContact CZ-OD2 3.65Å; R141-D313 IonicContact NH1-OD2 2.96Å; R141-D313 PolarHBondContact NH1-OD2 3.43Å; R141-D313 IonicContact NH2-OD2 3.34Å; R141-D313 PolarHBondContact NH2-OD2 2.94Å |
| 142 | L | 79.7 | Confident | 72.2 | Confident | 19 Ų | 19 | 78.5 Ų | 78.5 | 10% | 0.099 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -72.1 | -26.5 | -179.5 | -69.4 | 169.8 | 0 | 0 | 0 | 112.4 | Q105 L106 M109 L138 S139 A140 Q148 V159 | Q105-L142 HydrophobicContact CB-CD1 4.45Å; Q105-L142 HydrophobicContact CB-CD2 4.1Å; L106-L142 HydrophobicContact CD2-CD1 4.05Å; M109-L142 HydrophobicContact CB-CD1 4.48Å; M109-L142 HydrophobicContact SD-CD1 3.83Å; L138-L142 VanDerWaalsContact O-CB 3.3Å; L138-L142 WeakPolarHBondContact O-CB 3.47Å; L138-L142 VanDerWaalsContact O-CG 3.24Å; L138-L142 WeakPolarHBondContact O-CG 3.4Å; L138-L142 PolarHBondContact O-N 3.34Å; S139-L142 PolarHBondContact O-N 3.23Å; A140-L142 PolarHBondContact O-N 3.03Å; L142-Q148 PolarHBondContact O-NE2 3.43Å; L142-V159 HydrophobicContact CB-CG1 4.13Å; L142-V159 HydrophobicContact CB-CG2 3.77Å; L142-V159 HydrophobicContact CD1-CG2 3.9Å; L142-V159 HydrophobicContact CG-CG2 4.42Å |
| 143 | S | 78.1 | Confident | 70.6 | Confident | 62 Ų | 62 | 82.4 Ų | 82.4 | 43% | 0.434 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -78.3 | -35.2 | 175.4 | 68.6 | 0 | 0 | 0 | 0 | 113.4 | S139 A140 R141 | S139-S143 VanDerWaalsContact O-CB 3.28Å; S139-S143 WeakPolarHBondContact O-CB 3.28Å; S139-S143 PolarHBondContact O-N 3.46Å; S139-S143 PolarHBondContact O-OG 3Å; S139-S143 VanDerWaalsContact O-OG 3.13Å; A140-S143 WeakPolarHBondContact CA-OG 3.48Å; A140-S143 PolarHBondContact O-N 3.49Å; A140-S143 PolarHBondContact O-OG 3.41Å; R141-S143 VanDerWaalsContact C-N 3.33Å |
| 144 | F | 69.1 | Low | 69.4 | Low | 174 Ų | 174 | 86.3 Ų | 86.3 | 76% | 0.763 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -84.9 | -11.8 | 178.7 | -71.3 | -62.9 | 0 | 0 | 0 | 114.9 | A140 R146 | A140-F144 HydrophobicContact CB-CD2 4.44Å; A140-F144 HydrophobicContact CB-CE2 4.38Å; A140-F144 WeakPolarHBondContact O-CD2 3.26Å; A140-F144 PolarHBondContact O-N 2.91Å; F144-R146 PolarHBondContact O-N 3.12Å |
| 145 | S | 66 | Low | 68.5 | Low | 32 Ų | 32 | 87.2 Ų | 87.2 | 22% | 0.224 | 43% | 0.425 | C | S | . | . | trans | -60.5 | 106.4 | 174.9 | 172.2 | 0 | 0 | 0 | 0 | 109.4 | R141 E147 Q148 | R141-S145 PolarHBondContact O-N 2.71Å; S145-E147 PolarHBondContact O-N 2.97Å; S145-E147 PolarHBondContact OG-OE2 3.3Å; S145-Q148 PolarHBondContact O-N 3.21Å | ||
| 146 | R | 53.8 | Low | 67.7 | Low | 230 Ų | 230 | 89.6 Ų | 89.6 | 87% | 0.868 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -59.3 | -13.7 | -179.7 | -147.5 | 177.6 | -160.2 | 174.7 | 4.9 | 112.2 | F144 Q148 | F144-R146 PolarHBondContact O-N 3.12Å; R146-Q148 VanDerWaalsContact C-N 3.31Å; R146-Q148 PolarHBondContact O-N 2.88Å |
| 147 | E | 50.6 | Low | 67.2 | Low | 87 Ų | 87 | 86.8 Ų | 86.8 | 41% | 0.407 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -81.9 | 7.2 | -178.6 | -59.1 | 94.4 | -161.8 | 0 | 0 | 115.1 | S145 Q149 L150 | S145-E147 PolarHBondContact O-N 2.97Å; S145-E147 PolarHBondContact OG-OE2 3.3Å; E147-Q149 PolarHBondContact O-N 3.25Å; E147-Q149 VanDerWaalsContact O-N 3.11Å; E147-L150 PolarHBondContact O-N 2.98Å |
| 148 | Q | 53.2 | Low | 66.8 | Low | 70 Ų | 70 | 87.1 Ų | 87.1 | 33% | 0.327 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -61 | -14.5 | 173.2 | -73.7 | -175.5 | -2.1 | 0 | 0 | 113.8 | L142 S145 R146 L150 | L142-Q148 PolarHBondContact O-NE2 3.43Å; S145-Q148 PolarHBondContact O-N 3.21Å; R146-Q148 VanDerWaalsContact C-N 3.31Å; R146-Q148 PolarHBondContact O-N 2.88Å; Q148-L150 VanDerWaalsContact C-N 3.32Å; Q148-L150 PolarHBondContact O-N 3.37Å |
| 149 | Q | 51.2 | Low | 66.6 | Low | 185 Ų | 185 | 87.5 Ų | 87.5 | 86% | 0.864 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -77.5 | -9.2 | -179.5 | -67.1 | -170.1 | -30.6 | 0 | 0 | 114.7 | E147 | E147-Q149 PolarHBondContact O-N 3.25Å; E147-Q149 VanDerWaalsContact O-N 3.11Å |
| 150 | L | 47.4 | Very low | 66.4 | Low | 155 Ų | 155 | 89.6 Ų | 89.6 | 81% | 0.812 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -111.7 | -6.4 | -170.2 | -71.8 | 168 | 0 | 0 | 0 | 115.8 | E147 Q148 | E147-L150 PolarHBondContact O-N 2.98Å; Q148-L150 VanDerWaalsContact C-N 3.32Å; Q148-L150 PolarHBondContact O-N 3.37Å |
| 151 | S | 51 | Low | 66.4 | Low | 58 Ų | 58 | 97 Ų | 97 | 41% | 0.406 | 48% | 0.483 | S | S | . | . | trans | -103.5 | 130.8 | 179.5 | 56.9 | 0 | 0 | 0 | 0 | 111.9 | V153 | S151-V153 PolarHBondContact O-N 3.48Å; S151-V153 PolarHBondContact OG-O 2.85Å | ||
| 152 | H | 54 | Low | 66.6 | Low | 205 Ų | 205 | 94 Ų | 94 | 95% | 0.949 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -56.5 | -9 | 173.3 | -77.9 | -77.4 | 0 | 0 | 0 | 115 | ||
| 153 | V | 55.7 | Low | 66.9 | Low | 86 Ų | 86 | 96.3 Ų | 96.3 | 52% | 0.521 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -101.8 | 123.4 | 174.9 | -177.6 | 0 | 0 | 0 | 0 | 108 | S151 A155 L158 | S151-V153 PolarHBondContact O-N 3.48Å; S151-V153 PolarHBondContact OG-O 2.85Å; V153-A155 PolarHBondContact O-N 3.49Å; V153-L158 HydrophobicContact CG1-CD1 3.95Å |
| 154 | N | 63.4 | Low | 67.3 | Low | 118 Ų | 118 | 97.9 Ų | 97.9 | 63% | 0.631 | 49% | 0.485 | S | S | * | . | trans | -66.3 | 70.7 | 169.4 | -74.1 | -19 | 0 | 0 | 0 | 109.8 | S156 V157 | N154-S156 PolarHBondContact O-N 2.71Å; N154-S156 VanDerWaalsContact O-N 3.12Å; N154-V157 HydrophobicContact CB-CB 4.32Å; N154-V157 HydrophobicContact CB-CG2 3.91Å; N154-V157 PolarHBondContact O-N 2.84Å | ||
| 155 | A | 68.2 | Low | 67.9 | Low | 19 Ų | 19 | 92.3 Ų | 92.3 | 16% | 0.157 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -55.5 | -29.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L106 V153 V157 L158 V159 | L106-A155 HydrophobicContact CD1-CB 4.34Å; V153-A155 PolarHBondContact O-N 3.49Å; A155-V157 VanDerWaalsContact C-N 3.32Å; A155-V157 PolarHBondContact O-N 3.21Å; A155-L158 PolarHBondContact O-N 3.23Å; A155-V159 WeakPolarHBondContact O-CB 3.34Å; A155-V159 WeakPolarHBondContact O-CG2 3.47Å; A155-V159 PolarHBondContact O-N 3.3Å |
| 156 | S | 71.5 | Confident | 68.9 | Low | 49 Ų | 49 | 91 Ų | 91 | 34% | 0.343 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -55.3 | -41.8 | 173.2 | 56.5 | 0 | 0 | 0 | 0 | 113.5 | N154 S160 | N154-S156 PolarHBondContact O-N 2.71Å; N154-S156 VanDerWaalsContact O-N 3.12Å; S156-S160 WeakPolarHBondContact O-CB 3.42Å; S156-S160 PolarHBondContact O-N 3.36Å; S156-S160 PolarHBondContact O-OG 2.88Å |
| 157 | V | 77.1 | Confident | 70.4 | Confident | 82 Ų | 82 | 82.9 Ų | 82.9 | 50% | 0.497 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -71.6 | -37.2 | -179.9 | 178.1 | 0 | 0 | 0 | 0 | 111.2 | N154 A155 S160 R161 | N154-V157 HydrophobicContact CB-CB 4.32Å; N154-V157 HydrophobicContact CB-CG2 3.91Å; N154-V157 PolarHBondContact O-N 2.84Å; A155-V157 VanDerWaalsContact C-N 3.32Å; A155-V157 PolarHBondContact O-N 3.21Å; V157-S160 WeakPolarHBondContact CA-OG 3.46Å; V157-S160 PolarHBondContact O-OG 2.88Å; V157-R161 VanDerWaalsContact O-CB 3.28Å; V157-R161 WeakPolarHBondContact O-CB 3.38Å; V157-R161 PolarHBondContact O-N 3.23Å |
| 158 | L | 77.5 | Confident | 72.1 | Confident | 80 Ų | 80 | 85.4 Ų | 85.4 | 42% | 0.419 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.6 | -45.5 | 175.6 | -74.5 | 167.4 | 0 | 0 | 0 | 111 | V153 A155 R161 A162 | V153-L158 HydrophobicContact CG1-CD1 3.95Å; A155-L158 PolarHBondContact O-N 3.23Å; L158-R161 PolarHBondContact O-N 2.88Å; L158-A162 VanDerWaalsContact O-CB 3.24Å; L158-A162 WeakPolarHBondContact O-CB 3.4Å; L158-A162 PolarHBondContact O-N 3.32Å |
| 159 | V | 81.2 | Confident | 73.7 | Confident | 8 Ų | 8 | 82.5 Ų | 82.5 | 5% | 0.048 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 177.1 | 171.5 | 0 | 0 | 0 | 0 | 110.3 | L106 M109 L142 A155 A162 W163 | L106-V159 HydrophobicContact CD2-CG2 3.6Å; M109-V159 HydrophobicContact CE-CB 4.33Å; M109-V159 HydrophobicContact CE-CG1 3.8Å; M109-V159 WeakPolarHBondContact CE-O 3.46Å; M109-V159 HydrophobicContact SD-CB 4.14Å; M109-V159 HydrophobicContact SD-CG1 3.9Å; M109-V159 HydrophobicContact SD-CG2 3.98Å; L142-V159 HydrophobicContact CB-CG1 4.13Å; L142-V159 HydrophobicContact CB-CG2 3.77Å; L142-V159 HydrophobicContact CD1-CG2 3.9Å; L142-V159 HydrophobicContact CG-CG2 4.42Å; A155-V159 WeakPolarHBondContact O-CB 3.34Å; A155-V159 WeakPolarHBondContact O-CG2 3.47Å; A155-V159 PolarHBondContact O-N 3.3Å; V159-A162 PolarHBondContact O-N 2.87Å; V159-W163 VanDerWaalsContact O-CB 3.22Å; V159-W163 WeakPolarHBondContact O-CB 3.42Å; V159-W163 PolarHBondContact O-N 2.96Å |
| 160 | S | 82.4 | Confident | 75.5 | Confident | 55 Ų | 55 | 76.7 Ų | 76.7 | 39% | 0.385 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.3 | -47.1 | 177.8 | 70.7 | 0 | 0 | 0 | 0 | 111.2 | S156 V157 A162 W163 D164 | S156-S160 WeakPolarHBondContact O-CB 3.42Å; S156-S160 PolarHBondContact O-N 3.36Å; S156-S160 PolarHBondContact O-OG 2.88Å; V157-S160 WeakPolarHBondContact CA-OG 3.46Å; V157-S160 PolarHBondContact O-OG 2.88Å; S160-A162 PolarHBondContact O-N 2.98Å; S160-W163 PolarHBondContact O-N 3.18Å; S160-D164 PolarHBondContact O-N 3.45Å |
| 161 | R | 83.4 | Confident | 77.6 | Confident | 192 Ų | 192 | 72.4 Ų | 72.4 | 73% | 0.725 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -64.6 | -41 | 179.4 | -174.3 | 177 | 176.4 | 97.7 | -0.4 | 112.7 | V157 L158 W163 D164 S165 | V157-R161 VanDerWaalsContact O-CB 3.28Å; V157-R161 WeakPolarHBondContact O-CB 3.38Å; V157-R161 PolarHBondContact O-N 3.23Å; L158-R161 PolarHBondContact O-N 2.88Å; R161-W163 VanDerWaalsContact C-N 3.35Å; R161-D164 PolarHBondContact O-N 2.84Å; R161-S165 PolarHBondContact O-N 3.11Å |
| 162 | A | 83.3 | Confident | 79.5 | Confident | 8 Ų | 8 | 71.1 Ų | 71.1 | 7% | 0.066 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.1 | -38.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | M109 L110 L158 V159 S160 S165 L166 | M109-A162 HydrophobicContact CE-CB 3.78Å; M109-A162 HydrophobicContact CG-CB 4.1Å; M109-A162 HydrophobicContact SD-CB 4.2Å; L110-A162 HydrophobicContact CD2-CB 4.03Å; L158-A162 VanDerWaalsContact O-CB 3.24Å; L158-A162 WeakPolarHBondContact O-CB 3.4Å; L158-A162 PolarHBondContact O-N 3.32Å; V159-A162 PolarHBondContact O-N 2.87Å; S160-A162 PolarHBondContact O-N 2.98Å; A162-S165 PolarHBondContact O-N 3Å; A162-S165 PolarHBondContact O-OG 2.84Å; A162-L166 PolarHBondContact O-N 3.35Å; A162-L166 VanDerWaalsContact O-N 3.15Å |
| 163 | W | 87.2 | Confident | 81.3 | Confident | 67 Ų | 67 | 61.3 Ų | 61.3 | 25% | 0.254 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64 | -45 | 173.5 | -179.2 | -108.1 | 0 | 0 | 0 | 111.9 | M109 R136 S139 V159 S160 R161 S165 L166 V167 | M109-W163 HydrophobicContact CE-CB 3.91Å; R136-W163 HydrophobicContact CB-CH2 3.62Å; R136-W163 HydrophobicContact CB-CZ3 3.73Å; R136-W163 HydrophobicContact CG-CH2 3.59Å; R136-W163 HydrophobicContact CG-CZ2 4.45Å; R136-W163 HydrophobicContact CG-CZ3 4.15Å; S139-W163 VanDerWaalsContact CB-CE3 3.47Å; S139-W163 WeakPolarHBondContact OG-CZ3 3.41Å; V159-W163 VanDerWaalsContact O-CB 3.22Å; V159-W163 WeakPolarHBondContact O-CB 3.42Å; V159-W163 PolarHBondContact O-N 2.96Å; S160-W163 PolarHBondContact O-N 3.18Å; R161-W163 VanDerWaalsContact C-N 3.35Å; W163-S165 PolarHBondContact O-N 2.88Å; W163-L166 HydrophobicContact CE3-CB 4.39Å; W163-L166 HydrophobicContact CE3-CD2 3.88Å; W163-L166 HydrophobicContact CZ3-CD2 3.69Å; W163-L166 HydrophobicContact CZ3-CG 4.44Å; W163-L166 CarbonylContact O-C 3.55Å; W163-L166 WeakPolarHBondContact O-CA 3.4Å; W163-L166 WeakPolarHBondContact O-CB 3.22Å; W163-L166 PolarHBondContact O-N 3.45Å; W163-V167 HydrophobicContact CD2-CG2 4.21Å; W163-V167 HydrophobicContact CG-CG2 4.32Å; W163-V167 HydrophobicContact CZ2-CG2 4.05Å; W163-V167 WeakPolarHBondContact O-CG2 3.32Å; W163-V167 PolarHBondContact O-N 3Å |
| 164 | D | 85.6 | Confident | 83 | Confident | 96 Ų | 96 | 58.9 Ų | 58.9 | 51% | 0.513 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -57.2 | -37.4 | 177.2 | -66.9 | -25.7 | 0 | 0 | 0 | 111.9 | S160 R161 L166 H168 | S160-D164 PolarHBondContact O-N 3.45Å; R161-D164 PolarHBondContact O-N 2.84Å; D164-L166 VanDerWaalsContact C-N 3.34Å; D164-H168 PolarHBondContact O-ND1 3.43Å |
| 165 | S | 82.8 | Confident | 84.3 | Confident | 57 Ų | 57 | 55.7 Ų | 55.7 | 40% | 0.399 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.7 | -35.2 | 173.5 | 79.8 | 0 | 0 | 0 | 0 | 112.7 | R161 A162 W163 M169 | R161-S165 PolarHBondContact O-N 3.11Å; A162-S165 PolarHBondContact O-N 3Å; A162-S165 PolarHBondContact O-OG 2.84Å; W163-S165 PolarHBondContact O-N 2.88Å; S165-M169 WeakPolarHBondContact O-CG 3.47Å |
| 166 | L | 85.5 | Confident | 85.4 | Confident | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.016 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -78.6 | -31.6 | -178.1 | -168.3 | 67.1 | 0 | 0 | 0 | 112.7 | I112 P113 I116 F132 A162 W163 D164 H168 M169 | I112-L166 HydrophobicContact CG2-CD1 3.71Å; I112-L166 HydrophobicContact CG2-CD2 4.36Å; P113-L166 HydrophobicContact CG-CD1 4.45Å; I116-L166 HydrophobicContact CD1-CD1 3.36Å; F132-L166 HydrophobicContact CD2-CD1 4.22Å; F132-L166 HydrophobicContact CD2-CD2 4.41Å; F132-L166 HydrophobicContact CD2-CG 3.94Å; F132-L166 HydrophobicContact CE2-CG 4.19Å; A162-L166 PolarHBondContact O-N 3.35Å; A162-L166 VanDerWaalsContact O-N 3.15Å; W163-L166 HydrophobicContact CE3-CB 4.39Å; W163-L166 HydrophobicContact CE3-CD2 3.88Å; W163-L166 HydrophobicContact CZ3-CD2 3.69Å; W163-L166 HydrophobicContact CZ3-CG 4.44Å; W163-L166 CarbonylContact O-C 3.55Å; W163-L166 WeakPolarHBondContact O-CA 3.4Å; W163-L166 WeakPolarHBondContact O-CB 3.22Å; W163-L166 PolarHBondContact O-N 3.45Å; D164-L166 VanDerWaalsContact C-N 3.34Å; L166-H168 VanDerWaalsContact C-N 3.26Å; L166-H168 PolarHBondContact O-N 3.31Å; L166-M169 HydrophobicContact CD1-CB 4.39Å; L166-M169 HydrophobicContact CD1-CG 4.39Å; L166-M169 WeakPolarHBondContact O-CB 3.35Å; L166-M169 PolarHBondContact O-N 3.28Å |
| 167 | V | 86.2 | Confident | 86.3 | Confident | 60 Ų | 60 | 53.7 Ų | 53.7 | 36% | 0.364 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -56.7 | -40.3 | 179.2 | 169 | 0 | 0 | 0 | 0 | 111.7 | W163 M169 E170 | W163-V167 HydrophobicContact CD2-CG2 4.21Å; W163-V167 HydrophobicContact CG-CG2 4.32Å; W163-V167 HydrophobicContact CZ2-CG2 4.05Å; W163-V167 WeakPolarHBondContact O-CG2 3.32Å; W163-V167 PolarHBondContact O-N 3Å; V167-M169 PolarHBondContact O-N 3.48Å; V167-E170 PolarHBondContact O-N 3.27Å |
| 168 | H | 86.5 | Confident | 87 | Confident | 140 Ų | 140 | 54.9 Ų | 54.9 | 65% | 0.648 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -72.4 | -20 | 179.7 | -62.6 | 75.7 | 0 | 0 | 0 | 112.7 | D164 L166 E170 A172 | D164-H168 PolarHBondContact O-ND1 3.43Å; L166-H168 VanDerWaalsContact C-N 3.26Å; L166-H168 PolarHBondContact O-N 3.31Å; H168-E170 VanDerWaalsContact C-N 3.35Å; H168-A172 PolarHBondContact O-N 3.01Å |
| 169 | M | 87.2 | Confident | 87.6 | Confident | 9 Ų | 9 | 57.8 Ų | 57.8 | 4% | 0.044 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -71.7 | -31.6 | -179.4 | -61.3 | -77.3 | -93.7 | 0 | 0 | 111.4 | P113 I116 W117 S165 L166 V167 A171 A172 V173 | P113-M169 HydrophobicContact CB-CE 4.22Å; P113-M169 WeakPolarHBondContact O-CE 3.22Å; I116-M169 HydrophobicContact CB-CE 3.55Å; I116-M169 HydrophobicContact CD1-CE 4.43Å; I116-M169 HydrophobicContact CG2-CB 4.39Å; I116-M169 HydrophobicContact CG2-CE 3.29Å; I116-M169 HydrophobicContact CG2-SD 4.4Å; W117-M169 HydrophobicContact CD2-CE 4.24Å; W117-M169 HydrophobicContact CD2-SD 4.47Å; W117-M169 VanDerWaalsContact CE2-SD 3.52Å; W117-M169 HydrophobicContact CG-CE 3.93Å; W117-M169 HydrophobicContact CZ2-SD 3.71Å; W117-M169 PolarHBondContact NE1-SD 2.88Å; S165-M169 WeakPolarHBondContact O-CG 3.47Å; L166-M169 HydrophobicContact CD1-CB 4.39Å; L166-M169 HydrophobicContact CD1-CG 4.39Å; L166-M169 WeakPolarHBondContact O-CB 3.35Å; L166-M169 PolarHBondContact O-N 3.28Å; V167-M169 PolarHBondContact O-N 3.48Å; M169-A171 PolarHBondContact O-N 3.22Å; M169-A172 WeakPolarHBondContact O-CB 3.48Å; M169-A172 PolarHBondContact O-N 3.38Å; M169-A172 VanDerWaalsContact O-N 3.13Å; M169-V173 VanDerWaalsContact O-CG2 3.22Å; M169-V173 WeakPolarHBondContact O-CG2 3.1Å; M169-V173 PolarHBondContact O-N 3.14Å |
| 170 | E | 89.1 | Confident | 88 | Confident | 64 Ų | 64 | 60 Ų | 60 | 30% | 0.299 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -56 | -52.2 | 175 | -172.1 | 175.7 | -176.3 | 0 | 0 | 111.2 | F132 V167 H168 A172 V173 I174 | F132-E170 HydrophobicContact CD2-CB 4.33Å; F132-E170 HydrophobicContact CE1-CB 4.22Å; F132-E170 HydrophobicContact CE1-CG 4.01Å; F132-E170 HydrophobicContact CE2-CB 3.69Å; F132-E170 HydrophobicContact CE2-CG 4.38Å; F132-E170 HydrophobicContact CZ-CB 3.62Å; F132-E170 HydrophobicContact CZ-CG 3.84Å; F132-E170 VanDerWaalsContact CZ-OE2 3.3Å; F132-E170 WeakPolarHBondContact CZ-OE2 3.41Å; V167-E170 PolarHBondContact O-N 3.27Å; H168-E170 VanDerWaalsContact C-N 3.35Å; E170-A172 VanDerWaalsContact C-N 3.29Å; E170-A172 PolarHBondContact O-N 2.94Å; E170-V173 PolarHBondContact O-N 3.2Å; E170-I174 HydrophobicContact CG-CD1 4.07Å; E170-I174 WeakPolarHBondContact O-CG1 3.3Å; E170-I174 PolarHBondContact O-N 2.91Å |
| 171 | A | 90 | Very high | 88.4 | Confident | 65 Ų | 65 | 57.3 Ų | 57.3 | 54% | 0.537 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.3 | -36.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | M169 S175 | M169-A171 PolarHBondContact O-N 3.22Å; A171-S175 VanDerWaalsContact O-CB 3.27Å; A171-S175 WeakPolarHBondContact O-CB 3.49Å; A171-S175 PolarHBondContact O-N 3.35Å |
| 172 | A | 91.3 | Very high | 88.6 | Confident | 30 Ų | 30 | 49.3 Ų | 49.3 | 25% | 0.248 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | W117 H168 M169 E170 S175 A176 | W117-A172 HydrophobicContact CH2-CB 4.43Å; H168-A172 PolarHBondContact O-N 3.01Å; M169-A172 WeakPolarHBondContact O-CB 3.48Å; M169-A172 PolarHBondContact O-N 3.38Å; M169-A172 VanDerWaalsContact O-N 3.13Å; E170-A172 VanDerWaalsContact C-N 3.29Å; E170-A172 PolarHBondContact O-N 2.94Å; A172-S175 PolarHBondContact O-N 2.76Å; A172-A176 WeakPolarHBondContact O-CB 3.37Å; A172-A176 PolarHBondContact O-N 3.37Å |
| 173 | V | 91.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.3 | -46 | 177.8 | 179.7 | 0 | 0 | 0 | 0 | 110.4 | I116 M120 S128 M169 E170 S175 A176 C177 L201 | I116-V173 HydrophobicContact CG2-CG2 4.02Å; M120-V173 HydrophobicContact CG-CG2 4.25Å; M120-V173 HydrophobicContact SD-CB 4.25Å; M120-V173 HydrophobicContact SD-CG2 3.53Å; M120-V173 VanDerWaalsContact SD-CG2 3.53Å; S128-V173 WeakPolarHBondContact OG-CG2 3.04Å; M169-V173 VanDerWaalsContact O-CG2 3.22Å; M169-V173 WeakPolarHBondContact O-CG2 3.1Å; M169-V173 PolarHBondContact O-N 3.14Å; E170-V173 PolarHBondContact O-N 3.2Å; V173-S175 VanDerWaalsContact C-N 3.31Å; V173-S175 PolarHBondContact O-N 2.89Å; V173-A176 WeakPolarHBondContact O-CB 3.38Å; V173-A176 PolarHBondContact O-N 3.24Å; V173-A176 VanDerWaalsContact O-N 3.13Å; V173-C177 PolarHBondContact O-N 3.31Å; V173-C177 PolarHBondContact O-SG 3.39Å; V173-L201 HydrophobicContact CB-CD1 3.86Å; V173-L201 HydrophobicContact CG1-CD1 3.48Å; V173-L201 VanDerWaalsContact CG1-CD1 3.48Å |
| 174 | I | 91.8 | Very high | 87.6 | Confident | 34 Ų | 34 | 50.1 Ų | 50.1 | 17% | 0.174 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.4 | -44.7 | 175.6 | -69.5 | 169 | 0 | 0 | 0 | 110.7 | E170 A176 C177 R178 L198 L201 | E170-I174 HydrophobicContact CG-CD1 4.07Å; E170-I174 WeakPolarHBondContact O-CG1 3.3Å; E170-I174 PolarHBondContact O-N 2.91Å; I174-A176 VanDerWaalsContact C-N 3.35Å; I174-A176 PolarHBondContact O-N 3.17Å; I174-C177 PolarHBondContact O-N 3.08Å; I174-R178 PolarHBondContact O-N 2.76Å; I174-L198 HydrophobicContact CB-CD1 4.36Å; I174-L198 HydrophobicContact CG1-CD1 4.31Å; I174-L198 HydrophobicContact CG2-CD1 3.82Å; I174-L201 HydrophobicContact CD1-CB 4.4Å; I174-L201 HydrophobicContact CG1-CB 4.24Å; I174-L201 HydrophobicContact CG1-CD1 4.08Å |
| 175 | S | 91.2 | Very high | 86.5 | Confident | 52 Ų | 52 | 48.8 Ų | 48.8 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.2 | -43 | 175.4 | -173.6 | 0 | 0 | 0 | 0 | 111.8 | A171 A172 V173 R178 K179 | A171-S175 VanDerWaalsContact O-CB 3.27Å; A171-S175 WeakPolarHBondContact O-CB 3.49Å; A171-S175 PolarHBondContact O-N 3.35Å; A172-S175 PolarHBondContact O-N 2.76Å; V173-S175 VanDerWaalsContact C-N 3.31Å; V173-S175 PolarHBondContact O-N 2.89Å; S175-R178 PolarHBondContact O-N 3.46Å; S175-K179 WeakPolarHBondContact O-CB 3.11Å; S175-K179 VanDerWaalsContact O-CG 3.3Å; S175-K179 WeakPolarHBondContact O-CG 3.42Å; S175-K179 PolarHBondContact O-N 3.43Å |
| 176 | A | 90.9 | Very high | 85.9 | Confident | 25 Ų | 25 | 46.6 Ų | 46.6 | 21% | 0.207 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64 | -41.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | M120 A172 V173 I174 K179 R180 | M120-A176 HydrophobicContact SD-CB 4.34Å; A172-A176 WeakPolarHBondContact O-CB 3.37Å; A172-A176 PolarHBondContact O-N 3.37Å; V173-A176 WeakPolarHBondContact O-CB 3.38Å; V173-A176 PolarHBondContact O-N 3.24Å; V173-A176 VanDerWaalsContact O-N 3.13Å; I174-A176 VanDerWaalsContact C-N 3.35Å; I174-A176 PolarHBondContact O-N 3.17Å; A176-K179 PolarHBondContact O-N 2.94Å; A176-R180 PolarHBondContact O-N 3.43Å |
| 177 | C | 91.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.7 | -50.8 | 174.4 | -66.3 | 0 | 0 | 0 | 0 | 111.3 | V173 I174 K179 R180 L181 S194 L198 | V173-C177 PolarHBondContact O-N 3.31Å; V173-C177 PolarHBondContact O-SG 3.39Å; I174-C177 PolarHBondContact O-N 3.08Å; C177-K179 VanDerWaalsContact C-N 3.32Å; C177-K179 PolarHBondContact O-N 3.08Å; C177-R180 WeakPolarHBondContact O-CA 3.35Å; C177-R180 WeakPolarHBondContact O-CB 3.37Å; C177-R180 PolarHBondContact O-N 3.35Å; C177-L181 WeakPolarHBondContact O-CG 3.33Å; C177-L181 PolarHBondContact O-N 3.01Å; C177-S194 PolarHBondContact SG-O 2.53Å; C177-S194 VanDerWaalsContact SG-O 3.36Å; C177-L198 HydrophobicContact CB-CB 4.16Å; C177-L198 HydrophobicContact CB-CD1 4.3Å |
| 178 | R | 91.4 | Very high | 85.8 | Confident | 107 Ų | 107 | 50.2 Ų | 50.2 | 40% | 0.404 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.7 | -36.2 | 178.2 | -73 | 178.6 | 170.9 | 153.2 | -0.3 | 112.9 | I174 S175 R180 L181 S182 L198 E212 | I174-R178 PolarHBondContact O-N 2.76Å; S175-R178 PolarHBondContact O-N 3.46Å; R178-R180 VanDerWaalsContact C-N 3.34Å; R178-L181 PolarHBondContact O-N 2.99Å; R178-S182 PolarHBondContact O-N 3Å; R178-S182 VanDerWaalsContact O-N 3.16Å; R178-S182 PolarHBondContact O-OG 3.31Å; R178-L198 HydrophobicContact CG-CD2 4.49Å; R178-E212 IonicContact CZ-OE1 2.66Å; R178-E212 IonicContact CZ-OE2 3.64Å; R178-E212 IonicContact NE-OE1 3.91Å; R178-E212 IonicContact NE-OE2 3.93Å; R178-E212 PolarHBondContact NE-OE2 3.28Å; R178-E212 VanDerWaalsContact NE-OE2 3.12Å; R178-E212 IonicContact NH2-OE1 2.67Å; R178-E212 PolarHBondContact NH2-OE1 3Å; R178-E212 IonicContact NH2-OE2 3.98Å |
| 179 | K | 89.6 | Confident | 85.9 | Confident | 142 Ų | 142 | 49 Ų | 49 | 62% | 0.617 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -63.1 | -39.1 | 170.8 | -76.7 | 175.8 | -176.8 | 175 | 0 | 111.8 | S175 A176 C177 S182 A183 | S175-K179 WeakPolarHBondContact O-CB 3.11Å; S175-K179 VanDerWaalsContact O-CG 3.3Å; S175-K179 WeakPolarHBondContact O-CG 3.42Å; S175-K179 PolarHBondContact O-N 3.43Å; A176-K179 PolarHBondContact O-N 2.94Å; C177-K179 VanDerWaalsContact C-N 3.32Å; C177-K179 PolarHBondContact O-N 3.08Å; K179-S182 WeakPolarHBondContact CA-OG 3.13Å; K179-S182 PolarHBondContact O-N 2.89Å; K179-S182 PolarHBondContact O-OG 3.37Å; K179-S182 VanDerWaalsContact O-OG 3.05Å; K179-A183 WeakPolarHBondContact O-CB 3.45Å; K179-A183 PolarHBondContact O-N 2.99Å |
| 180 | R | 89.7 | Confident | 85.9 | Confident | 53 Ų | 53 | 51.9 Ų | 51.9 | 20% | 0.2 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.7 | -40.3 | 175.8 | -173.3 | 64.9 | 62.2 | 115.7 | 9.1 | 112.4 | G123 H125 A176 C177 R178 S182 A183 S186 E190 | G123-R180 VanDerWaalsContact CA-NH2 3.29Å; H125-R180 PolarHBondContact NE2-NH2 3.26Å; A176-R180 PolarHBondContact O-N 3.43Å; C177-R180 WeakPolarHBondContact O-CA 3.35Å; C177-R180 WeakPolarHBondContact O-CB 3.37Å; C177-R180 PolarHBondContact O-N 3.35Å; R178-R180 VanDerWaalsContact C-N 3.34Å; R180-S182 VanDerWaalsContact C-N 3.25Å; R180-S182 PolarHBondContact O-N 3Å; R180-A183 PolarHBondContact O-N 3.46Å; R180-S186 PolarHBondContact O-OG 2.89Å; R180-E190 IonicContact CZ-OE2 3.96Å; R180-E190 IonicContact NH1-OE2 3.08Å; R180-E190 PolarHBondContact NH1-OE2 3.09Å |
| 181 | L | 90.2 | Very high | 86 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.1 | -32.9 | 176.7 | -64.4 | 175.4 | 0 | 0 | 0 | 112.3 | C177 R178 L191 L195 L198 G216 R217 | C177-L181 WeakPolarHBondContact O-CG 3.33Å; C177-L181 PolarHBondContact O-N 3.01Å; R178-L181 PolarHBondContact O-N 2.99Å; L181-L191 HydrophobicContact CD2-CD2 3.7Å; L181-L191 HydrophobicContact CD2-CG 3.89Å; L181-L195 HydrophobicContact CD1-CD1 4.25Å; L181-L195 HydrophobicContact CD2-CB 4.31Å; L181-L195 HydrophobicContact CD2-CD1 3.77Å; L181-L198 HydrophobicContact CD1-CD2 3.96Å; L181-G216 CarbonylContact O-C 3.42Å; L181-R217 WeakPolarHBondContact O-CD 3.41Å; L181-R217 PolarHBondContact O-NH1 3.28Å |
| 182 | S | 88.9 | Confident | 86 | Confident | 24 Ų | 24 | 46 Ų | 46 | 17% | 0.168 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -87.9 | -11.8 | 176.9 | 52.8 | 0 | 0 | 0 | 0 | 114.8 | R178 K179 R180 G216 G220 | R178-S182 PolarHBondContact O-N 3Å; R178-S182 VanDerWaalsContact O-N 3.16Å; R178-S182 PolarHBondContact O-OG 3.31Å; K179-S182 WeakPolarHBondContact CA-OG 3.13Å; K179-S182 PolarHBondContact O-N 2.89Å; K179-S182 PolarHBondContact O-OG 3.37Å; K179-S182 VanDerWaalsContact O-OG 3.05Å; R180-S182 VanDerWaalsContact C-N 3.25Å; R180-S182 PolarHBondContact O-N 3Å; S182-G216 VanDerWaalsContact CA-O 3.27Å; S182-G216 WeakPolarHBondContact CA-O 3.35Å; S182-G216 WeakPolarHBondContact CB-O 3.28Å; S182-G220 WeakPolarHBondContact O-CA 3.33Å |
| 183 | A | 81.9 | Confident | 86 | Confident | 33 Ų | 33 | 45 Ų | 45 | 27% | 0.273 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -74.8 | 136.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K179 R180 S186 | K179-A183 WeakPolarHBondContact O-CB 3.45Å; K179-A183 PolarHBondContact O-N 2.99Å; R180-A183 PolarHBondContact O-N 3.46Å; A183-S186 PolarHBondContact O-OG 3.45Å |
| 184 | P | 67.6 | Low | 86 | Confident | 59 Ų | 59 | 45 Ų | 45 | 38% | 0.383 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 141.7 | 168.2 | 33 | -23.6 | 0 | 0 | 0 | 111.3 | L224 | P184-L224 HydrophobicContact CB-CD1 4.21Å; P184-L224 HydrophobicContact CB-CD2 4.45Å; P184-L224 HydrophobicContact CG-CD1 4.29Å; P184-L224 HydrophobicContact CG-CD2 3.82Å; P184-L224 HydrophobicContact CG-CG 4.22Å |
| 185 | P | 62 | Low | 86 | Confident | 68 Ų | 68 | 43.5 Ų | 43.5 | 44% | 0.442 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -103.5 | 94.1 | -21.6 | 34 | -19.2 | 0 | 0 | 0 | 110.5 | ||
| 186 | S | 69.9 | Low | 86 | Confident | 10 Ų | 10 | 41 Ų | 41 | 7% | 0.07 | 21% | 0.211 | C | C | . | . | trans | -62.7 | 150.3 | 174.3 | -45.8 | 0 | 0 | 0 | 0 | 111.3 | R180 A183 Y263 | R180-S186 PolarHBondContact O-OG 2.89Å; A183-S186 PolarHBondContact O-OG 3.45Å; S186-Y263 PolarHBondContact O-OH 3.29Å | ||
| 187 | T | 84 | Confident | 86 | Confident | 66 Ų | 66 | 39.8 Ų | 39.8 | 41% | 0.405 | 20% | 0.202 | S | C | . | . | trans | -66.5 | 150.8 | 172.8 | 62.3 | 0 | 0 | 0 | 0 | 110.7 | E189 E190 L191 | T187-E189 PolarHBondContact O-N 3.42Å; T187-E189 VanDerWaalsContact O-N 3.17Å; T187-E190 PolarHBondContact O-N 3.14Å; T187-E190 WeakPolarHBondContact OG1-CB 3.49Å; T187-E190 WeakPolarHBondContact OG1-CG 3.38Å; T187-E190 PolarHBondContact OG1-N 3.43Å; T187-E190 PolarHBondContact OG1-OE1 3Å; T187-L191 PolarHBondContact O-N 3.19Å | ||
| 188 | K | 86.3 | Confident | 85.9 | Confident | 74 Ų | 74 | 40 Ų | 40 | 32% | 0.322 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -54.9 | -33.7 | 178 | 63.8 | -176.5 | 178.5 | 179.9 | 0 | 112.8 | C192 Y263 F266 | K188-C192 VanDerWaalsContact O-CB 3.3Å; K188-C192 WeakPolarHBondContact O-CB 3.33Å; K188-C192 PolarHBondContact O-N 3.28Å; K188-Y263 HydrophobicContact CB-CD1 3.81Å; K188-Y263 HydrophobicContact CB-CE1 3.66Å; K188-F266 HydrophobicContact CB-CD1 3.84Å; K188-F266 HydrophobicContact CB-CE1 3.9Å; K188-F266 HydrophobicContact CB-CG 4.42Å; K188-F266 HydrophobicContact CD-CD1 4.31Å; K188-F266 HydrophobicContact CD-CD2 4.08Å; K188-F266 HydrophobicContact CD-CE1 4.28Å; K188-F266 HydrophobicContact CD-CE2 4.05Å; K188-F266 HydrophobicContact CD-CG 4.2Å; K188-F266 HydrophobicContact CD-CZ 4.15Å; K188-F266 HydrophobicContact CG-CD1 4.27Å; K188-F266 HydrophobicContact CG-CE1 3.99Å; K188-F266 HydrophobicContact CG-CZ 4.14Å |
| 189 | E | 87.7 | Confident | 85.8 | Confident | 115 Ų | 115 | 35 Ų | 35 | 54% | 0.537 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -75.1 | -41.4 | -179 | -69.5 | 168.9 | -162.8 | 0 | 0 | 113.1 | T187 L191 D193 | T187-E189 PolarHBondContact O-N 3.42Å; T187-E189 VanDerWaalsContact O-N 3.17Å; E189-L191 VanDerWaalsContact C-N 3.35Å; E189-D193 WeakPolarHBondContact O-CB 3.44Å; E189-D193 PolarHBondContact O-N 2.91Å |
| 190 | E | 88 | Confident | 85.7 | Confident | 69 Ų | 69 | 28.3 Ų | 28.3 | 32% | 0.322 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -66.4 | -39.1 | 174.7 | -75 | 163 | -139.7 | 0 | 0 | 111.6 | R180 T187 D193 S194 | R180-E190 IonicContact CZ-OE2 3.96Å; R180-E190 IonicContact NH1-OE2 3.08Å; R180-E190 PolarHBondContact NH1-OE2 3.09Å; T187-E190 PolarHBondContact O-N 3.14Å; T187-E190 WeakPolarHBondContact OG1-CB 3.49Å; T187-E190 WeakPolarHBondContact OG1-CG 3.38Å; T187-E190 PolarHBondContact OG1-N 3.43Å; T187-E190 PolarHBondContact OG1-OE1 3Å; E190-D193 PolarHBondContact O-N 3.05Å; E190-S194 PolarHBondContact O-N 2.91Å; E190-S194 PolarHBondContact O-OG 3.41Å |
| 191 | L | 89.7 | Confident | 85.5 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.6 | -44.6 | 178.1 | -160.5 | 148.5 | 0 | 0 | 0 | 110.3 | L181 T187 E189 D193 S194 L195 F213 Y263 L267 | L181-L191 HydrophobicContact CD2-CD2 3.7Å; L181-L191 HydrophobicContact CD2-CG 3.89Å; T187-L191 PolarHBondContact O-N 3.19Å; E189-L191 VanDerWaalsContact C-N 3.35Å; L191-D193 VanDerWaalsContact C-N 3.32Å; L191-D193 PolarHBondContact O-N 3.26Å; L191-S194 PolarHBondContact O-N 3.46Å; L191-S194 PolarHBondContact O-OG 3.4Å; L191-L195 WeakPolarHBondContact O-CB 3.34Å; L191-L195 PolarHBondContact O-N 2.85Å; L191-F213 HydrophobicContact CD2-CD2 3.85Å; L191-F213 HydrophobicContact CD2-CE2 3.79Å; L191-Y263 HydrophobicContact CD1-CD2 3.77Å; L191-Y263 HydrophobicContact CD1-CE2 4.06Å; L191-L267 HydrophobicContact CD2-CD1 3.82Å |
| 192 | C | 91 | Very high | 85.2 | Confident | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.02 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.9 | -43.9 | 170.7 | -177 | 0 | 0 | 0 | 0 | 112.3 | K188 S194 L195 A196 F266 L267 | K188-C192 VanDerWaalsContact O-CB 3.3Å; K188-C192 WeakPolarHBondContact O-CB 3.33Å; K188-C192 PolarHBondContact O-N 3.28Å; C192-S194 PolarHBondContact O-N 3.49Å; C192-L195 PolarHBondContact O-N 2.87Å; C192-A196 VanDerWaalsContact O-CB 3.27Å; C192-A196 WeakPolarHBondContact O-CB 3.22Å; C192-A196 PolarHBondContact O-N 3.38Å; C192-F266 HydrophobicContact CB-CE1 4.16Å; C192-L267 HydrophobicContact CB-CD2 3.49Å; C192-L267 VanDerWaalsContact CB-CD2 3.49Å |
| 193 | D | 91.4 | Very high | 84.8 | Confident | 11 Ų | 11 | 32.8 Ų | 32.8 | 6% | 0.059 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.6 | -42.7 | 177.8 | -166.4 | 74.1 | 0 | 0 | 0 | 112.5 | R124 H125 S126 E189 E190 L191 A197 R286 | R124-D193 VanDerWaalsContact C-OD2 3.22Å; R124-D193 WeakPolarHBondContact CA-OD2 3.47Å; H125-D193 PolarHBondContact N-OD2 3.13Å; S126-D193 WeakPolarHBondContact CB-OD1 3.3Å; S126-D193 PolarHBondContact N-OD2 2.95Å; S126-D193 PolarHBondContact OG-OD1 3.37Å; E189-D193 WeakPolarHBondContact O-CB 3.44Å; E189-D193 PolarHBondContact O-N 2.91Å; E190-D193 PolarHBondContact O-N 3.05Å; L191-D193 VanDerWaalsContact C-N 3.32Å; L191-D193 PolarHBondContact O-N 3.26Å; D193-A197 WeakPolarHBondContact O-CB 3.13Å; D193-A197 PolarHBondContact O-N 2.82Å; D193-R286 IonicContact OD1-NE 2.66Å |
| 194 | S | 91.6 | Very high | 85 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66 | -38.9 | 176.3 | 69.5 | 0 | 0 | 0 | 0 | 113 | C177 E190 L191 C192 L198 | C177-S194 PolarHBondContact SG-O 2.53Å; C177-S194 VanDerWaalsContact SG-O 3.36Å; E190-S194 PolarHBondContact O-N 2.91Å; E190-S194 PolarHBondContact O-OG 3.41Å; L191-S194 PolarHBondContact O-N 3.46Å; L191-S194 PolarHBondContact O-OG 3.4Å; C192-S194 PolarHBondContact O-N 3.49Å; S194-L198 WeakPolarHBondContact O-CB 3.41Å; S194-L198 PolarHBondContact O-N 3.35Å |
| 195 | L | 91.5 | Very high | 85.8 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -73.4 | -38.5 | 179.3 | -159.3 | 120.3 | 0 | 0 | 0 | 111.2 | L181 L191 C192 L198 S199 A209 F213 L283 | L181-L195 HydrophobicContact CD1-CD1 4.25Å; L181-L195 HydrophobicContact CD2-CB 4.31Å; L181-L195 HydrophobicContact CD2-CD1 3.77Å; L191-L195 WeakPolarHBondContact O-CB 3.34Å; L191-L195 PolarHBondContact O-N 2.85Å; C192-L195 PolarHBondContact O-N 2.87Å; L195-L198 PolarHBondContact O-N 3.37Å; L195-S199 PolarHBondContact O-N 2.87Å; L195-S199 PolarHBondContact O-OG 2.9Å; L195-A209 HydrophobicContact CD2-CB 4.04Å; L195-F213 HydrophobicContact CD1-CB 3.65Å; L195-F213 HydrophobicContact CD1-CD2 4.26Å; L195-F213 HydrophobicContact CD1-CG 4.44Å; L195-L283 HydrophobicContact CB-CD1 4.29Å; L195-L283 HydrophobicContact CD2-CD1 3.48Å; L195-L283 VanDerWaalsContact CD2-CD1 3.48Å; L195-L283 HydrophobicContact CD2-CD2 3.31Å; L195-L283 HydrophobicContact CD2-CG 3.96Å; L195-L283 HydrophobicContact CG-CD1 4.43Å |
| 196 | A | 90.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.6 | -45.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | C192 L198 S199 M200 L283 R286 I287 | C192-A196 VanDerWaalsContact O-CB 3.27Å; C192-A196 WeakPolarHBondContact O-CB 3.22Å; C192-A196 PolarHBondContact O-N 3.38Å; A196-L198 VanDerWaalsContact C-N 3.33Å; A196-L198 PolarHBondContact O-N 3.01Å; A196-S199 WeakPolarHBondContact CA-OG 3.23Å; A196-S199 PolarHBondContact O-N 3.34Å; A196-S199 PolarHBondContact O-OG 3.13Å; A196-M200 WeakPolarHBondContact O-CB 3.27Å; A196-M200 WeakPolarHBondContact O-CG 3.44Å; A196-M200 PolarHBondContact O-N 3.25Å; A196-L283 HydrophobicContact CB-CD1 3.98Å; A196-R286 HydrophobicContact CB-CB 4.25Å; A196-R286 HydrophobicContact CB-CG 3.73Å; A196-I287 HydrophobicContact CB-CG1 4.01Å |
| 197 | A | 91.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.5 | -41.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | H125 A129 D193 M200 L201 | H125-A197 HydrophobicContact CB-CB 3.57Å; H125-A197 WeakPolarHBondContact O-CB 3.47Å; A129-A197 HydrophobicContact CB-CB 4.22Å; D193-A197 WeakPolarHBondContact O-CB 3.13Å; D193-A197 PolarHBondContact O-N 2.82Å; A197-M200 PolarHBondContact O-N 2.74Å; A197-L201 WeakPolarHBondContact O-CG 3.34Å; A197-L201 PolarHBondContact O-N 3.36Å |
| 198 | L | 90.9 | Very high | 87.5 | Confident | 5 Ų | 5 | 31.3 Ų | 31.3 | 3% | 0.026 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.6 | -43.8 | 176.9 | -172.1 | 68.2 | 0 | 0 | 0 | 111.4 | I174 C177 R178 L181 S194 L195 A196 M200 L201 G202 L204 E212 | I174-L198 HydrophobicContact CB-CD1 4.36Å; I174-L198 HydrophobicContact CG1-CD1 4.31Å; I174-L198 HydrophobicContact CG2-CD1 3.82Å; C177-L198 HydrophobicContact CB-CB 4.16Å; C177-L198 HydrophobicContact CB-CD1 4.3Å; R178-L198 HydrophobicContact CG-CD2 4.49Å; L181-L198 HydrophobicContact CD1-CD2 3.96Å; S194-L198 WeakPolarHBondContact O-CB 3.41Å; S194-L198 PolarHBondContact O-N 3.35Å; L195-L198 PolarHBondContact O-N 3.37Å; A196-L198 VanDerWaalsContact C-N 3.33Å; A196-L198 PolarHBondContact O-N 3.01Å; L198-M200 VanDerWaalsContact C-N 3.31Å; L198-M200 PolarHBondContact O-N 3.47Å; L198-L201 PolarHBondContact O-N 3.28Å; L198-G202 PolarHBondContact O-N 3.25Å; L198-L204 HydrophobicContact CD2-CD1 4.24Å; L198-L204 HydrophobicContact CG-CD1 3.94Å; L198-E212 HydrophobicContact CD2-CB 3.87Å; L198-E212 HydrophobicContact CD2-CG 3.98Å |
| 199 | S | 89.1 | Confident | 87.6 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64 | -36.9 | 176.1 | 56 | 0 | 0 | 0 | 0 | 112.6 | L195 A196 D203 L204 I287 F322 | L195-S199 PolarHBondContact O-N 2.87Å; L195-S199 PolarHBondContact O-OG 2.9Å; A196-S199 WeakPolarHBondContact CA-OG 3.23Å; A196-S199 PolarHBondContact O-N 3.34Å; A196-S199 PolarHBondContact O-OG 3.13Å; S199-D203 WeakPolarHBondContact O-CA 3.4Å; S199-D203 PolarHBondContact O-N 3.49Å; S199-D203 VanDerWaalsContact O-N 3.11Å; S199-L204 PolarHBondContact O-N 3.05Å; S199-I287 VanDerWaalsContact OG-CD1 3.26Å; S199-I287 WeakPolarHBondContact OG-CD1 3.39Å; S199-F322 VanDerWaalsContact O-CE2 3.24Å; S199-F322 WeakPolarHBondContact O-CE2 3.39Å; S199-F322 WeakPolarHBondContact O-CZ 3.3Å |
| 200 | M | 86.1 | Confident | 87.7 | Confident | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.015 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.6 | -44 | 178.4 | -72.4 | 171.3 | 66.2 | 0 | 0 | 112.2 | R130 F133 A196 A197 L198 L319 | R130-M200 HydrophobicContact CG-CE 4.09Å; F133-M200 HydrophobicContact CE2-CB 4.2Å; F133-M200 VanDerWaalsContact CZ-O 3.23Å; F133-M200 WeakPolarHBondContact CZ-O 3.17Å; A196-M200 WeakPolarHBondContact O-CB 3.27Å; A196-M200 WeakPolarHBondContact O-CG 3.44Å; A196-M200 PolarHBondContact O-N 3.25Å; A197-M200 PolarHBondContact O-N 2.74Å; L198-M200 VanDerWaalsContact C-N 3.31Å; L198-M200 PolarHBondContact O-N 3.47Å; M200-L319 HydrophobicContact CE-CD1 3.33Å |
| 201 | L | 86.9 | Confident | 87.8 | Confident | 12 Ų | 12 | 25.5 Ų | 25.5 | 6% | 0.063 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -75.3 | -35 | -178.4 | -69.5 | 171.5 | 0 | 0 | 0 | 112.7 | A129 F132 F133 V173 I174 A197 L198 | A129-L201 HydrophobicContact CB-CD1 4.13Å; A129-L201 HydrophobicContact CB-CD2 4.07Å; A129-L201 HydrophobicContact CB-CG 3.87Å; F132-L201 HydrophobicContact CB-CD2 4.49Å; F132-L201 HydrophobicContact CD1-CD2 3.48Å; F132-L201 VanDerWaalsContact CD1-CD2 3.48Å; F132-L201 HydrophobicContact CE1-CD2 4.04Å; F132-L201 HydrophobicContact CG-CD2 4.22Å; F133-L201 HydrophobicContact CE2-CD2 3.94Å; F133-L201 HydrophobicContact CZ-CD2 4.22Å; V173-L201 HydrophobicContact CB-CD1 3.86Å; V173-L201 HydrophobicContact CG1-CD1 3.48Å; V173-L201 VanDerWaalsContact CG1-CD1 3.48Å; I174-L201 HydrophobicContact CD1-CB 4.4Å; I174-L201 HydrophobicContact CG1-CB 4.24Å; I174-L201 HydrophobicContact CG1-CD1 4.08Å; A197-L201 WeakPolarHBondContact O-CG 3.34Å; A197-L201 PolarHBondContact O-N 3.36Å; L198-L201 PolarHBondContact O-N 3.28Å |
| 202 | G | 82.9 | Confident | 87.9 | Confident | 40 Ų | 40 | 27.3 Ų | 27.3 | 41% | 0.412 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -96.1 | 1.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | L198 L204 | L198-G202 PolarHBondContact O-N 3.25Å; G202-L204 PolarHBondContact O-N 2.89Å |
| 203 | D | 82 | Confident | 87.9 | Confident | 119 Ų | 119 | 27.1 Ų | 27.1 | 64% | 0.636 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 43.5 | -172.4 | -65.4 | -35.4 | 0 | 0 | 0 | 113.2 | S199 F322 | S199-D203 WeakPolarHBondContact O-CA 3.4Å; S199-D203 PolarHBondContact O-N 3.49Å; S199-D203 VanDerWaalsContact O-N 3.11Å; D203-F322 WeakPolarHBondContact OD1-CE2 3.3Å |
| 204 | L | 84.7 | Confident | 88 | Confident | 29 Ų | 29 | 27.3 Ų | 27.3 | 15% | 0.152 | 15% | 0.148 | C | C | . | . | trans | -75.5 | 139 | -173.8 | -56.6 | 179.5 | 0 | 0 | 0 | 112.2 | L198 S199 G202 Q208 E212 F324 | L198-L204 HydrophobicContact CD2-CD1 4.24Å; L198-L204 HydrophobicContact CG-CD1 3.94Å; S199-L204 PolarHBondContact O-N 3.05Å; G202-L204 PolarHBondContact O-N 2.89Å; L204-Q208 HydrophobicContact CB-CB 4.1Å; L204-Q208 HydrophobicContact CD2-CB 4.22Å; L204-E212 HydrophobicContact CD1-CG 4.05Å; L204-F324 WeakPolarHBondContact O-CE2 3.34Å | ||
| 205 | S | 83.9 | Confident | 88 | Confident | 17 Ų | 17 | 30 Ų | 30 | 12% | 0.119 | 16% | 0.163 | C | C | . | . | trans | -71.7 | 167.5 | 167.4 | 79.4 | 0 | 0 | 0 | 0 | 112.1 | L207 Q208 A209 | S205-L207 PolarHBondContact O-N 3.28Å; S205-L207 PolarHBondContact OG-N 3.44Å; S205-Q208 VanDerWaalsContact N-OE1 3.14Å; S205-Q208 PolarHBondContact O-N 2.95Å; S205-Q208 PolarHBondContact OG-N 3.34Å; S205-A209 WeakPolarHBondContact O-CB 3.27Å; S205-A209 PolarHBondContact O-N 2.85Å | ||
| 206 | T | 80.2 | Confident | 88 | Confident | 16 Ų | 16 | 30.4 Ų | 30.4 | 10% | 0.098 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -52.2 | -42.5 | 173.7 | 46 | 0 | 0 | 0 | 0 | 112.4 | L210 F324 | T206-L210 PolarHBondContact O-N 2.93Å; T206-F324 HydrophobicContact CG2-CD1 3.76Å; T206-F324 HydrophobicContact CG2-CE1 3.26Å; T206-F324 HydrophobicContact CG2-CZ 4.01Å |
| 207 | L | 83.7 | Confident | 88.1 | Confident | 56 Ų | 56 | 30.4 Ų | 30.4 | 29% | 0.293 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -72.1 | -42.2 | -179.7 | -64.3 | -179.7 | 0 | 0 | 0 | 111.7 | S205 A209 L210 E211 E327 L343 | S205-L207 PolarHBondContact O-N 3.28Å; S205-L207 PolarHBondContact OG-N 3.44Å; L207-A209 VanDerWaalsContact C-N 3.31Å; L207-A209 PolarHBondContact O-N 2.75Å; L207-L210 WeakPolarHBondContact O-CB 3.41Å; L207-L210 PolarHBondContact O-N 3.03Å; L207-L210 VanDerWaalsContact O-N 3.16Å; L207-E211 WeakPolarHBondContact O-CG 3.26Å; L207-E211 PolarHBondContact O-N 2.7Å; L207-E327 WeakPolarHBondContact CD1-OE2 3.48Å; L207-L343 HydrophobicContact CD2-CD1 4.32Å |
| 208 | Q | 87.9 | Confident | 88.1 | Confident | 87 Ų | 87 | 31.7 Ų | 31.7 | 41% | 0.407 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -65.5 | -36.4 | 175.8 | -69.5 | 174.5 | -14.8 | 0 | 0 | 111.9 | L204 S205 L210 E211 E212 | L204-Q208 HydrophobicContact CB-CB 4.1Å; L204-Q208 HydrophobicContact CD2-CB 4.22Å; S205-Q208 VanDerWaalsContact N-OE1 3.14Å; S205-Q208 PolarHBondContact O-N 2.95Å; S205-Q208 PolarHBondContact OG-N 3.34Å; Q208-L210 VanDerWaalsContact C-N 3.32Å; Q208-E211 PolarHBondContact O-N 3.45Å; Q208-E212 PolarHBondContact O-N 3.1Å |
| 209 | A | 89.1 | Confident | 88 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.008 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65 | -37.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L195 S205 L207 F213 L283 | L195-A209 HydrophobicContact CD2-CB 4.04Å; S205-A209 WeakPolarHBondContact O-CB 3.27Å; S205-A209 PolarHBondContact O-N 2.85Å; L207-A209 VanDerWaalsContact C-N 3.31Å; L207-A209 PolarHBondContact O-N 2.75Å; A209-F213 WeakPolarHBondContact O-CB 3.48Å; A209-F213 PolarHBondContact O-N 3.39Å; A209-L283 HydrophobicContact CB-CD2 4.22Å |
| 210 | L | 90.1 | Very high | 88 | Confident | 13 Ų | 13 | 33 Ų | 33 | 7% | 0.068 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.2 | -41.4 | 172.7 | -176.4 | 69.2 | 0 | 0 | 0 | 111.9 | T206 L207 Q208 F213 F214 L264 F268 L344 A347 | T206-L210 PolarHBondContact O-N 2.93Å; L207-L210 WeakPolarHBondContact O-CB 3.41Å; L207-L210 PolarHBondContact O-N 3.03Å; L207-L210 VanDerWaalsContact O-N 3.16Å; Q208-L210 VanDerWaalsContact C-N 3.32Å; L210-F213 WeakPolarHBondContact O-CB 3.41Å; L210-F213 PolarHBondContact O-N 2.89Å; L210-F214 HydrophobicContact CD1-CD2 4.01Å; L210-F214 HydrophobicContact CD1-CE2 3.61Å; L210-F214 HydrophobicContact CD2-CE2 4.37Å; L210-F214 HydrophobicContact CG-CD2 3.94Å; L210-F214 HydrophobicContact CG-CE2 3.82Å; L210-F214 VanDerWaalsContact O-CD2 3.3Å; L210-F214 WeakPolarHBondContact O-CD2 3.27Å; L210-F214 PolarHBondContact O-N 3.31Å; L210-L264 HydrophobicContact CD1-CD1 4.1Å; L210-F268 HydrophobicContact CB-CE1 4.26Å; L210-F268 HydrophobicContact CB-CZ 3.93Å; L210-F268 HydrophobicContact CD1-CD2 3.95Å; L210-F268 HydrophobicContact CD1-CE1 4.36Å; L210-F268 HydrophobicContact CD1-CE2 3.49Å; L210-F268 VanDerWaalsContact CD1-CE2 3.49Å; L210-F268 HydrophobicContact CD1-CZ 3.73Å; L210-F268 HydrophobicContact CG-CZ 4.47Å; L210-L344 HydrophobicContact CD1-CD2 3.68Å; L210-L344 HydrophobicContact CD2-CD2 3.98Å; L210-L344 HydrophobicContact CG-CD2 4.5Å; L210-A347 HydrophobicContact CD2-CB 3.9Å |
| 211 | E | 90.5 | Very high | 88.3 | Confident | 121 Ų | 121 | 32.9 Ų | 32.9 | 57% | 0.565 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -64.3 | -46.3 | 175.2 | -72.6 | 176.4 | -177.4 | 0 | 0 | 112 | L207 Q208 F213 F214 N215 | L207-E211 WeakPolarHBondContact O-CG 3.26Å; L207-E211 PolarHBondContact O-N 2.7Å; Q208-E211 PolarHBondContact O-N 3.45Å; E211-F213 VanDerWaalsContact C-N 3.31Å; E211-F213 PolarHBondContact O-N 2.98Å; E211-F214 PolarHBondContact O-N 2.9Å; E211-N215 VanDerWaalsContact O-CB 3.26Å; E211-N215 WeakPolarHBondContact O-CB 3.45Å; E211-N215 PolarHBondContact O-N 3.26Å; E211-N215 PolarHBondContact O-ND2 3.41Å |
| 212 | E | 90.5 | Very high | 88.4 | Confident | 39 Ų | 39 | 33.2 Ų | 33.2 | 18% | 0.182 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.1 | -38.1 | 175.2 | -78.6 | -76.9 | 172.1 | 0 | 0 | 112 | R178 L198 L204 Q208 G216 | R178-E212 IonicContact CZ-OE1 2.66Å; R178-E212 IonicContact CZ-OE2 3.64Å; R178-E212 IonicContact NE-OE1 3.91Å; R178-E212 IonicContact NE-OE2 3.93Å; R178-E212 PolarHBondContact NE-OE2 3.28Å; R178-E212 VanDerWaalsContact NE-OE2 3.12Å; R178-E212 IonicContact NH2-OE1 2.67Å; R178-E212 PolarHBondContact NH2-OE1 3Å; R178-E212 IonicContact NH2-OE2 3.98Å; L198-E212 HydrophobicContact CD2-CB 3.87Å; L198-E212 HydrophobicContact CD2-CG 3.98Å; L204-E212 HydrophobicContact CD1-CG 4.05Å; Q208-E212 PolarHBondContact O-N 3.1Å; E212-G216 PolarHBondContact O-N 3.38Å |
| 213 | F | 92.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.4 | -59.6 | 171.1 | 171.9 | -105 | 0 | 0 | 0 | 110.5 | L191 L195 A209 L210 E211 N215 G216 R217 T260 L264 L267 | L191-F213 HydrophobicContact CD2-CD2 3.85Å; L191-F213 HydrophobicContact CD2-CE2 3.79Å; L195-F213 HydrophobicContact CD1-CB 3.65Å; L195-F213 HydrophobicContact CD1-CD2 4.26Å; L195-F213 HydrophobicContact CD1-CG 4.44Å; A209-F213 WeakPolarHBondContact O-CB 3.48Å; A209-F213 PolarHBondContact O-N 3.39Å; L210-F213 WeakPolarHBondContact O-CB 3.41Å; L210-F213 PolarHBondContact O-N 2.89Å; E211-F213 VanDerWaalsContact C-N 3.31Å; E211-F213 PolarHBondContact O-N 2.98Å; F213-N215 VanDerWaalsContact C-N 3.32Å; F213-N215 PolarHBondContact O-N 3.22Å; F213-G216 PolarHBondContact O-N 3.17Å; F213-G216 VanDerWaalsContact O-N 3.16Å; F213-R217 HydrophobicContact CD1-CG 4.42Å; F213-R217 HydrophobicContact CD2-CG 4.11Å; F213-R217 HydrophobicContact CE1-CG 4.1Å; F213-R217 HydrophobicContact CE2-CG 3.77Å; F213-R217 HydrophobicContact CG-CG 4.43Å; F213-R217 HydrophobicContact CZ-CG 3.78Å; F213-R217 VanDerWaalsContact O-CG 3.3Å; F213-R217 WeakPolarHBondContact O-CG 3.45Å; F213-R217 PolarHBondContact O-N 2.85Å; F213-T260 HydrophobicContact CE1-CG2 3.94Å; F213-T260 HydrophobicContact CZ-CG2 3.97Å; F213-L264 HydrophobicContact CE1-CB 3.98Å; F213-L264 HydrophobicContact CE1-CD1 4.26Å; F213-L264 HydrophobicContact CZ-CB 4.31Å; F213-L267 HydrophobicContact CD2-CD1 3.73Å; F213-L267 HydrophobicContact CE2-CD1 3.73Å; F213-L267 HydrophobicContact CG-CD1 4.46Å; F213-L267 HydrophobicContact CZ-CD1 4.46Å |
| 214 | F | 92.8 | Very high | 88.8 | Confident | 15 Ų | 15 | 27.5 Ų | 27.5 | 7% | 0.066 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.1 | -36.8 | -176.9 | -80.9 | -58.8 | 0 | 0 | 0 | 113 | L210 E211 R217 K218 T260 L264 A347 W348 W351 | L210-F214 HydrophobicContact CD1-CD2 4.01Å; L210-F214 HydrophobicContact CD1-CE2 3.61Å; L210-F214 HydrophobicContact CD2-CE2 4.37Å; L210-F214 HydrophobicContact CG-CD2 3.94Å; L210-F214 HydrophobicContact CG-CE2 3.82Å; L210-F214 VanDerWaalsContact O-CD2 3.3Å; L210-F214 WeakPolarHBondContact O-CD2 3.27Å; L210-F214 PolarHBondContact O-N 3.31Å; E211-F214 PolarHBondContact O-N 2.9Å; F214-R217 PolarHBondContact O-N 2.93Å; F214-K218 WeakPolarHBondContact O-CB 3.3Å; F214-K218 PolarHBondContact O-N 3.05Å; F214-T260 HydrophobicContact CE1-CG2 4.44Å; F214-L264 HydrophobicContact CE1-CD1 3.82Å; F214-L264 HydrophobicContact CE2-CD1 3.69Å; F214-L264 HydrophobicContact CZ-CD1 3.09Å; F214-A347 HydrophobicContact CD2-CB 4.32Å; F214-A347 HydrophobicContact CE2-CB 3.59Å; F214-A347 HydrophobicContact CZ-CB 4.3Å; F214-W348 HydrophobicContact CE1-CE3 4.2Å; F214-W348 HydrophobicContact CZ-CB 4.37Å; F214-W351 HydrophobicContact CD1-CB 3.7Å; F214-W351 AromaticContact CD1-CD1 3.43Å; F214-W351 VanDerWaalsContact CD1-CD1 3.43Å; F214-W351 AromaticContact CD1-CD2 3.88Å; F214-W351 HydrophobicContact CD1-CD2 3.88Å; F214-W351 AromaticContact CD1-CG 3.37Å; F214-W351 HydrophobicContact CD1-CG 3.37Å; F214-W351 AromaticContact CD1-NE1 3.91Å; F214-W351 HydrophobicContact CE1-CB 3.77Å; F214-W351 HydrophobicContact CE1-CD2 4.09Å; F214-W351 HydrophobicContact CE1-CE3 4.47Å; F214-W351 AromaticContact CE1-CG 3.76Å; F214-W351 HydrophobicContact CE1-CG 3.76Å; F214-W351 HydrophobicContact CG-CB 4.31Å; F214-W351 AromaticContact CG-CD1 3.97Å; F214-W351 HydrophobicContact CG-CG 4.19Å; F214-W351 HydrophobicContact CZ-CB 4.42Å; F214-W351 PolarHBondContact O-NE1 2.66Å |
| 215 | N | 91.1 | Very high | 89 | Confident | 57 Ų | 57 | 26.4 Ų | 26.4 | 31% | 0.305 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -62.6 | -45.5 | 174.4 | -76.4 | -26.8 | 0 | 0 | 0 | 111.3 | E211 F213 K218 V219 | E211-N215 VanDerWaalsContact O-CB 3.26Å; E211-N215 WeakPolarHBondContact O-CB 3.45Å; E211-N215 PolarHBondContact O-N 3.26Å; E211-N215 PolarHBondContact O-ND2 3.41Å; F213-N215 VanDerWaalsContact C-N 3.32Å; F213-N215 PolarHBondContact O-N 3.22Å; N215-K218 PolarHBondContact O-N 3.39Å; N215-V219 VanDerWaalsContact O-CG2 3.32Å; N215-V219 WeakPolarHBondContact O-CG2 3.45Å; N215-V219 PolarHBondContact O-N 3.39Å |
| 216 | G | 91.4 | Very high | 89 | Confident | 8 Ų | 8 | 25.9 Ų | 25.9 | 8% | 0.082 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.9 | -47.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L181 S182 E212 F213 K218 V219 G220 | L181-G216 CarbonylContact O-C 3.42Å; S182-G216 VanDerWaalsContact CA-O 3.27Å; S182-G216 WeakPolarHBondContact CA-O 3.35Å; S182-G216 WeakPolarHBondContact CB-O 3.28Å; E212-G216 PolarHBondContact O-N 3.38Å; F213-G216 PolarHBondContact O-N 3.17Å; F213-G216 VanDerWaalsContact O-N 3.16Å; G216-K218 VanDerWaalsContact C-N 3.34Å; G216-K218 PolarHBondContact O-N 3.02Å; G216-V219 PolarHBondContact O-N 2.91Å; G216-G220 PolarHBondContact O-N 3Å |
| 217 | R | 92.2 | Very high | 89.1 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 0% | 0.004 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.8 | -35.8 | 176.8 | -58.3 | -50.6 | -67.4 | 168.9 | -9.9 | 112.3 | L181 F213 F214 G220 L221 H256 S259 T260 W351 | L181-R217 WeakPolarHBondContact O-CD 3.41Å; L181-R217 PolarHBondContact O-NH1 3.28Å; F213-R217 HydrophobicContact CD1-CG 4.42Å; F213-R217 HydrophobicContact CD2-CG 4.11Å; F213-R217 HydrophobicContact CE1-CG 4.1Å; F213-R217 HydrophobicContact CE2-CG 3.77Å; F213-R217 HydrophobicContact CG-CG 4.43Å; F213-R217 HydrophobicContact CZ-CG 3.78Å; F213-R217 VanDerWaalsContact O-CG 3.3Å; F213-R217 WeakPolarHBondContact O-CG 3.45Å; F213-R217 PolarHBondContact O-N 2.85Å; F214-R217 PolarHBondContact O-N 2.93Å; R217-G220 PolarHBondContact O-N 3.34Å; R217-L221 WeakPolarHBondContact O-CB 3.4Å; R217-L221 PolarHBondContact O-N 3.43Å; R217-H256 PolarHBondContact NH1-CE1 2.92Å; R217-H256 PolarHBondContact NH2-CE1 3.16Å; R217-H256 VanDerWaalsContact NH2-CE1 3.25Å; R217-H256 PolarHBondContact NH2-ND1 2.95Å; R217-H256 PolarHBondContact NH2-O 3.01Å; R217-H256 PolarHBondContact O-NE2 3.07Å; R217-S259 PolarHBondContact NH2-OG 3.28Å; R217-S259 VanDerWaalsContact NH2-OG 3.15Å; R217-T260 HydrophobicContact CB-CG2 3.94Å; R217-T260 HydrophobicContact CG-CG2 3.8Å; R217-T260 PolarHBondContact NE-OG1 3.06Å; R217-T260 PolarHBondContact NH2-OG1 2.9Å; R217-W351 HydrophobicContact CB-CZ2 4.05Å |
| 218 | K | 90.8 | Very high | 88.8 | Confident | 27 Ų | 27 | 26.8 Ų | 26.8 | 12% | 0.117 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.7 | -54.3 | 174.3 | -167.6 | 167.9 | 178.6 | 170.1 | 0 | 109.3 | F214 N215 G216 G220 L221 Y222 Y229 D354 | F214-K218 WeakPolarHBondContact O-CB 3.3Å; F214-K218 PolarHBondContact O-N 3.05Å; N215-K218 PolarHBondContact O-N 3.39Å; G216-K218 VanDerWaalsContact C-N 3.34Å; G216-K218 PolarHBondContact O-N 3.02Å; K218-G220 VanDerWaalsContact C-N 3.27Å; K218-G220 PolarHBondContact O-N 3.49Å; K218-L221 WeakPolarHBondContact O-CB 3.35Å; K218-L221 PolarHBondContact O-N 3.41Å; K218-Y222 HydrophobicContact CD-CE2 4.39Å; K218-Y222 HydrophobicContact CG-CD2 3.88Å; K218-Y222 HydrophobicContact CG-CE2 3.61Å; K218-Y222 VanDerWaalsContact O-CD2 3.23Å; K218-Y222 WeakPolarHBondContact O-CD2 3.42Å; K218-Y222 PolarHBondContact O-N 2.92Å; K218-Y229 HydrophobicContact CD-CE1 3.9Å; K218-Y229 HydrophobicContact CG-CD1 4.23Å; K218-Y229 HydrophobicContact CG-CE1 3.97Å; K218-D354 IonicContact NZ-OD2 3.82Å; K218-D354 PolarHBondContact NZ-OD2 2.96Å |
| 219 | V | 89.6 | Confident | 88.4 | Confident | 31 Ų | 31 | 23.9 Ų | 23.9 | 19% | 0.188 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -52.4 | -46.5 | 175.2 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | N215 G216 L221 Y222 C223 Y229 | N215-V219 VanDerWaalsContact O-CG2 3.32Å; N215-V219 WeakPolarHBondContact O-CG2 3.45Å; N215-V219 PolarHBondContact O-N 3.39Å; G216-V219 PolarHBondContact O-N 2.91Å; V219-L221 PolarHBondContact O-N 3.36Å; V219-Y222 PolarHBondContact O-N 3.42Å; V219-C223 WeakPolarHBondContact O-CB 3.45Å; V219-C223 PolarHBondContact O-N 3.39Å; V219-C223 PolarHBondContact O-SG 2.85Å; V219-Y229 HydrophobicContact CG2-CD1 3.85Å; V219-Y229 HydrophobicContact CG2-CE1 4.49Å |
| 220 | G | 90.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.8 | -42.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S182 G216 R217 K218 C223 L224 | S182-G220 WeakPolarHBondContact O-CA 3.33Å; G216-G220 PolarHBondContact O-N 3Å; R217-G220 PolarHBondContact O-N 3.34Å; K218-G220 VanDerWaalsContact C-N 3.27Å; K218-G220 PolarHBondContact O-N 3.49Å; G220-C223 WeakPolarHBondContact O-CB 3.46Å; G220-C223 PolarHBondContact O-N 3.25Å; G220-L224 WeakPolarHBondContact O-CG 3.35Å; G220-L224 PolarHBondContact O-N 3.33Å |
| 221 | L | 91 | Very high | 86.7 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.9 | -46.6 | 176.3 | -178.4 | 66.3 | 0 | 0 | 0 | 111.3 | R217 K218 V219 C223 L224 L225 V253 H256 M257 W351 A355 I358 | R217-L221 WeakPolarHBondContact O-CB 3.4Å; R217-L221 PolarHBondContact O-N 3.43Å; K218-L221 WeakPolarHBondContact O-CB 3.35Å; K218-L221 PolarHBondContact O-N 3.41Å; V219-L221 PolarHBondContact O-N 3.36Å; L221-C223 VanDerWaalsContact C-N 3.31Å; L221-C223 PolarHBondContact O-N 2.73Å; L221-L224 WeakPolarHBondContact O-CB 3.26Å; L221-L224 PolarHBondContact O-N 3.3Å; L221-L224 VanDerWaalsContact O-N 3.15Å; L221-L225 HydrophobicContact CG-CD1 4.19Å; L221-L225 WeakPolarHBondContact O-CG 3.4Å; L221-L225 PolarHBondContact O-N 2.98Å; L221-V253 HydrophobicContact CD1-CG1 4.04Å; L221-V253 HydrophobicContact CD1-CG2 4.45Å; L221-H256 PolarHBondContact N-NE2 3.45Å; L221-M257 HydrophobicContact CD1-CG 4.45Å; L221-W351 HydrophobicContact CD2-CZ2 4.42Å; L221-A355 HydrophobicContact CD2-CB 3.51Å; L221-I358 HydrophobicContact CD2-CG2 4.4Å |
| 222 | Y | 89.2 | Confident | 85.5 | Confident | 20 Ų | 20 | 29.6 Ų | 29.6 | 8% | 0.078 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.5 | -41.2 | 177.7 | -84 | -99 | 0 | 0 | 0 | 111.5 | K218 V219 L224 L225 G226 R227 Y229 L236 I358 | K218-Y222 HydrophobicContact CD-CE2 4.39Å; K218-Y222 HydrophobicContact CG-CD2 3.88Å; K218-Y222 HydrophobicContact CG-CE2 3.61Å; K218-Y222 VanDerWaalsContact O-CD2 3.23Å; K218-Y222 WeakPolarHBondContact O-CD2 3.42Å; K218-Y222 PolarHBondContact O-N 2.92Å; V219-Y222 PolarHBondContact O-N 3.42Å; Y222-L224 VanDerWaalsContact C-N 3.31Å; Y222-L224 PolarHBondContact O-N 3.46Å; Y222-L225 CarbonylContact O-C 3.6Å; Y222-L225 WeakPolarHBondContact O-CA 3.21Å; Y222-L225 PolarHBondContact O-N 3.45Å; Y222-G226 PolarHBondContact O-N 2.63Å; Y222-G226 VanDerWaalsContact O-N 3.15Å; Y222-R227 CarbonylContact C-O 3.29Å; Y222-R227 HydrophobicContact CD1-CB 3.84Å; Y222-R227 PolarHBondContact O-N 3.17Å; Y222-Y229 HydrophobicContact CD1-CG 4.41Å; Y222-Y229 HydrophobicContact CD2-CG 4.26Å; Y222-Y229 HydrophobicContact CE2-CG 4.48Å; Y222-Y229 HydrophobicContact CG-CG 4.2Å; Y222-L236 HydrophobicContact CD1-CD2 3.57Å; Y222-L236 HydrophobicContact CE1-CD1 4.22Å; Y222-L236 HydrophobicContact CE1-CD2 3.18Å; Y222-L236 HydrophobicContact CE1-CG 4.33Å; Y222-I358 HydrophobicContact CD1-CG1 4.4Å; Y222-I358 HydrophobicContact CE1-CD1 4Å; Y222-I358 HydrophobicContact CE1-CG1 3.73Å; Y222-I358 HydrophobicContact CE2-CG2 4.32Å |
| 223 | C | 86.7 | Confident | 84.2 | Confident | 28 Ų | 28 | 32.9 Ų | 32.9 | 19% | 0.189 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.2 | -43.7 | 174 | -68.9 | 0 | 0 | 0 | 0 | 112.2 | V219 G220 L221 L225 G226 R227 R239 | V219-C223 WeakPolarHBondContact O-CB 3.45Å; V219-C223 PolarHBondContact O-N 3.39Å; V219-C223 PolarHBondContact O-SG 2.85Å; G220-C223 WeakPolarHBondContact O-CB 3.46Å; G220-C223 PolarHBondContact O-N 3.25Å; L221-C223 VanDerWaalsContact C-N 3.31Å; L221-C223 PolarHBondContact O-N 2.73Å; C223-L225 PolarHBondContact O-N 3.43Å; C223-G226 PolarHBondContact O-N 2.96Å; C223-R227 PolarHBondContact N-O 3.05Å; C223-R239 VanDerWaalsContact CB-NH1 3.34Å; C223-R239 VanDerWaalsContact SG-CZ 3.59Å; C223-R239 PolarHBondContact SG-NH2 2.67Å |
| 224 | L | 87.7 | Confident | 83 | Confident | 11 Ų | 11 | 39.7 Ų | 39.7 | 6% | 0.058 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.7 | -24 | 176.1 | -69.9 | 174.6 | 0 | 0 | 0 | 112.9 | P184 G220 L221 Y222 G226 F242 Q249 L252 V253 H256 | P184-L224 HydrophobicContact CB-CD1 4.21Å; P184-L224 HydrophobicContact CB-CD2 4.45Å; P184-L224 HydrophobicContact CG-CD1 4.29Å; P184-L224 HydrophobicContact CG-CD2 3.82Å; P184-L224 HydrophobicContact CG-CG 4.22Å; G220-L224 WeakPolarHBondContact O-CG 3.35Å; G220-L224 PolarHBondContact O-N 3.33Å; L221-L224 WeakPolarHBondContact O-CB 3.26Å; L221-L224 PolarHBondContact O-N 3.3Å; L221-L224 VanDerWaalsContact O-N 3.15Å; Y222-L224 VanDerWaalsContact C-N 3.31Å; Y222-L224 PolarHBondContact O-N 3.46Å; L224-G226 VanDerWaalsContact C-N 3.34Å; L224-F242 VanDerWaalsContact O-CZ 3.24Å; L224-F242 WeakPolarHBondContact O-CZ 3.42Å; L224-Q249 PolarHBondContact O-NE2 3.11Å; L224-L252 HydrophobicContact CD1-CB 4.17Å; L224-L252 HydrophobicContact CD2-CB 3.79Å; L224-L252 HydrophobicContact CD2-CD1 3.86Å; L224-L252 HydrophobicContact CD2-CG 4.35Å; L224-V253 HydrophobicContact CB-CG2 4.38Å; L224-H256 HydrophobicContact CD1-CB 3.7Å |
| 225 | L | 87.7 | Confident | 81.5 | Confident | 5 Ų | 5 | 42.6 Ų | 42.6 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 5.1 | 174.6 | -65.6 | 176 | 0 | 0 | 0 | 113.2 | L221 Y222 C223 R227 V253 I358 V362 L363 | L221-L225 HydrophobicContact CG-CD1 4.19Å; L221-L225 WeakPolarHBondContact O-CG 3.4Å; L221-L225 PolarHBondContact O-N 2.98Å; Y222-L225 CarbonylContact O-C 3.6Å; Y222-L225 WeakPolarHBondContact O-CA 3.21Å; Y222-L225 PolarHBondContact O-N 3.45Å; C223-L225 PolarHBondContact O-N 3.43Å; L225-R227 VanDerWaalsContact C-N 3.27Å; L225-R227 PolarHBondContact O-N 2.94Å; L225-V253 HydrophobicContact CD2-CG2 3.76Å; L225-V253 HydrophobicContact CG-CG2 4.42Å; L225-I358 HydrophobicContact CD1-CB 4.48Å; L225-I358 HydrophobicContact CD1-CG1 4Å; L225-I358 HydrophobicContact CD1-CG2 3.85Å; L225-V362 HydrophobicContact CB-CB 4.41Å; L225-V362 HydrophobicContact CB-CG1 4.1Å; L225-V362 HydrophobicContact CB-CG2 4.37Å; L225-V362 HydrophobicContact CD2-CB 4.14Å; L225-V362 HydrophobicContact CD2-CG1 4.03Å; L225-L363 HydrophobicContact CD2-CD2 4.23Å; L225-L363 HydrophobicContact CD2-CG 4.41Å |
| 226 | G | 84.6 | Confident | 80.2 | Confident | 6 Ų | 6 | 43.5 Ų | 43.5 | 6% | 0.062 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70 | 24 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y222 C223 L224 R239 | Y222-G226 PolarHBondContact O-N 2.63Å; Y222-G226 VanDerWaalsContact O-N 3.15Å; C223-G226 PolarHBondContact O-N 2.96Å; L224-G226 VanDerWaalsContact C-N 3.34Å; G226-R239 WeakPolarHBondContact O-CB 3.2Å; G226-R239 PolarHBondContact O-N 3.09Å |
| 227 | R | 82.8 | Confident | 79.3 | Confident | 32 Ų | 32 | 51.2 Ų | 51.2 | 12% | 0.121 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 136.1 | 177.4 | -59.4 | -71.2 | -179.1 | 151.3 | 0.8 | 109.1 | Y222 C223 L225 R237 V362 E365 | Y222-R227 CarbonylContact C-O 3.29Å; Y222-R227 HydrophobicContact CD1-CB 3.84Å; Y222-R227 PolarHBondContact O-N 3.17Å; C223-R227 PolarHBondContact N-O 3.05Å; L225-R227 VanDerWaalsContact C-N 3.27Å; L225-R227 PolarHBondContact O-N 2.94Å; R227-R237 CarbonylContact C-O 3.54Å; R227-R237 VanDerWaalsContact CA-O 3.31Å; R227-R237 WeakPolarHBondContact CA-O 3.08Å; R227-V362 HydrophobicContact CG-CG2 4.43Å; R227-E365 IonicContact NH2-OE1 3.51Å; R227-E365 IonicContact NH2-OE2 3.12Å; R227-E365 PolarHBondContact NH2-OE2 3.18Å |
| 228 | D | 77.6 | Confident | 78.4 | Confident | 60 Ų | 60 | 59 Ų | 59 | 32% | 0.321 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 120.7 | 166.8 | -71.5 | -43.9 | 0 | 0 | 0 | 108.5 | R237 R239 | D228-R237 HydrophobicContact CB-CB 4.33Å; D228-R237 PolarHBondContact N-O 3.17Å; D228-R237 PolarHBondContact O-N 3.21Å; D228-R237 VanDerWaalsContact O-N 3.11Å; D228-R239 IonicContact OD1-CZ 3.54Å; D228-R239 VanDerWaalsContact OD1-CZ 3.23Å; D228-R239 IonicContact OD1-NE 2.74Å; D228-R239 PolarHBondContact OD1-NE 3.4Å; D228-R239 IonicContact OD1-NH2 3.82Å; D228-R239 PolarHBondContact OD1-NH2 3.38Å; D228-R239 WeakPolarHBondContact OD2-CG 3.24Å; D228-R239 IonicContact OD2-NE 3.77Å |
| 229 | Y | 78.3 | Confident | 77.5 | Confident | 25 Ų | 25 | 62.1 Ų | 62.1 | 10% | 0.098 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 123.7 | 173.3 | 175.7 | -109.2 | 0 | 0 | 0 | 108.6 | K218 V219 Y222 P231 E234 L236 | K218-Y229 HydrophobicContact CD-CE1 3.9Å; K218-Y229 HydrophobicContact CG-CD1 4.23Å; K218-Y229 HydrophobicContact CG-CE1 3.97Å; V219-Y229 HydrophobicContact CG2-CD1 3.85Å; V219-Y229 HydrophobicContact CG2-CE1 4.49Å; Y222-Y229 HydrophobicContact CD1-CG 4.41Å; Y222-Y229 HydrophobicContact CD2-CG 4.26Å; Y222-Y229 HydrophobicContact CE2-CG 4.48Å; Y222-Y229 HydrophobicContact CG-CG 4.2Å; Y229-P231 HydrophobicContact CE1-CB 4.25Å; Y229-E234 HydrophobicContact CE2-CB 4.48Å; Y229-E234 HydrophobicContact CE2-CG 4.47Å; Y229-L236 HydrophobicContact CD2-CD2 3.8Å |
| 230 | S | 75.2 | Confident | 76.4 | Confident | 49 Ų | 49 | 65.9 Ų | 65.9 | 34% | 0.343 | 32% | 0.32 | S | S | . | . | trans | -105.3 | 120.1 | 169.5 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | H232 N233 E234 | S230-H232 PolarHBondContact O-N 3.11Å; S230-N233 PolarHBondContact O-N 3.15Å; S230-E234 PolarHBondContact O-N 3.25Å | ||
| 231 | P | 67.9 | Low | 75.4 | Confident | 54 Ų | 54 | 73.1 Ų | 73.1 | 35% | 0.351 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -27.2 | -177.5 | 23.7 | -32.6 | 0 | 0 | 0 | 112.8 | Y229 | Y229-P231 HydrophobicContact CE1-CB 4.25Š|
| 232 | H | 65.9 | Low | 74.6 | Confident | 153 Ų | 153 | 76.4 Ų | 76.4 | 71% | 0.708 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -29 | -176.8 | -62.6 | -55.6 | 0 | 0 | 0 | 114.6 | S230 | S230-H232 PolarHBondContact O-N 3.11Š|
| 233 | N | 64 | Low | 73.8 | Confident | 108 Ų | 108 | 81.8 Ų | 81.8 | 58% | 0.578 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.7 | -11.4 | -173.8 | -63.5 | -2.8 | 0 | 0 | 0 | 112.9 | S230 I235 | S230-N233 PolarHBondContact O-N 3.15Å; N233-I235 HydrophobicContact CB-CB 4.31Å; N233-I235 HydrophobicContact CB-CD1 3.67Å; N233-I235 HydrophobicContact CB-CG1 3.76Å; N233-I235 WeakPolarHBondContact O-CG1 3.33Å; N233-I235 PolarHBondContact O-N 2.95Å |
| 234 | E | 65.8 | Low | 73.4 | Confident | 142 Ų | 142 | 83.4 Ų | 83.4 | 66% | 0.664 | 41% | 0.414 | S | S | * | . | trans | 51 | 18.2 | -170.3 | -58.2 | -168.6 | 144.7 | 0 | 0 | 114.4 | Y229 S230 L236 | Y229-E234 HydrophobicContact CE2-CB 4.48Å; Y229-E234 HydrophobicContact CE2-CG 4.47Å; S230-E234 PolarHBondContact O-N 3.25Å; E234-L236 PolarHBondContact O-N 2.84Å | ||
| 235 | I | 61.4 | Low | 73.3 | Confident | 77 Ų | 77 | 86 Ų | 86 | 40% | 0.395 | 43% | 0.433 | S | S | . | . | trans | -78.1 | 122.9 | 179.9 | -63.8 | 168.3 | 0 | 0 | 0 | 108.6 | N233 R237 | N233-I235 HydrophobicContact CB-CB 4.31Å; N233-I235 HydrophobicContact CB-CD1 3.67Å; N233-I235 HydrophobicContact CB-CG1 3.76Å; N233-I235 WeakPolarHBondContact O-CG1 3.33Å; N233-I235 PolarHBondContact O-N 2.95Å; I235-R237 HydrophobicContact CG2-CG 4.02Å | ||
| 236 | L | 65.1 | Low | 73.1 | Confident | 76 Ų | 76 | 87.2 Ų | 87.2 | 40% | 0.398 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 114.3 | 173.6 | -61.5 | 179.3 | 0 | 0 | 0 | 110.4 | Y222 Y229 E234 | Y222-L236 HydrophobicContact CD1-CD2 3.57Å; Y222-L236 HydrophobicContact CE1-CD1 4.22Å; Y222-L236 HydrophobicContact CE1-CD2 3.18Å; Y222-L236 HydrophobicContact CE1-CG 4.33Å; Y229-L236 HydrophobicContact CD2-CD2 3.8Å; E234-L236 PolarHBondContact O-N 2.84Å |
| 237 | R | 71.2 | Confident | 73.1 | Confident | 169 Ų | 169 | 94.1 Ų | 94.1 | 64% | 0.638 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 142.2 | 171.6 | -67.6 | -177 | -178.3 | 172.2 | 0.8 | 110.5 | R227 D228 I235 | R227-R237 CarbonylContact C-O 3.54Å; R227-R237 VanDerWaalsContact CA-O 3.31Å; R227-R237 WeakPolarHBondContact CA-O 3.08Å; D228-R237 HydrophobicContact CB-CB 4.33Å; D228-R237 PolarHBondContact N-O 3.17Å; D228-R237 PolarHBondContact O-N 3.21Å; D228-R237 VanDerWaalsContact O-N 3.11Å; I235-R237 HydrophobicContact CG2-CG 4.02Å |
| 238 | R | 73 | Confident | 73.2 | Confident | 164 Ų | 164 | 98.8 Ų | 98.8 | 62% | 0.619 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 132.9 | 169.9 | -80.2 | -174.8 | 170 | 174 | -4 | 108.8 | E365 | R238-E365 IonicContact NH2-OE1 3.88Å; R238-E365 IonicContact NH2-OE2 3.6Å; R238-E365 PolarHBondContact NH2-OE2 3.25Å; R238-E365 VanDerWaalsContact NH2-OE2 3.07Å |
| 239 | R | 73.3 | Confident | 73.7 | Confident | 93 Ų | 93 | 96.3 Ų | 96.3 | 35% | 0.351 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 126.1 | 174 | -80.4 | -174.2 | 171.2 | 177.2 | -1.3 | 110.4 | C223 G226 D228 F242 | C223-R239 VanDerWaalsContact CB-NH1 3.34Å; C223-R239 VanDerWaalsContact SG-CZ 3.59Å; C223-R239 PolarHBondContact SG-NH2 2.67Å; G226-R239 WeakPolarHBondContact O-CB 3.2Å; G226-R239 PolarHBondContact O-N 3.09Å; D228-R239 IonicContact OD1-CZ 3.54Å; D228-R239 VanDerWaalsContact OD1-CZ 3.23Å; D228-R239 IonicContact OD1-NE 2.74Å; D228-R239 PolarHBondContact OD1-NE 3.4Å; D228-R239 IonicContact OD1-NH2 3.82Å; D228-R239 PolarHBondContact OD1-NH2 3.38Å; D228-R239 WeakPolarHBondContact OD2-CG 3.24Å; D228-R239 IonicContact OD2-NE 3.77Å; R239-F242 HydrophobicContact CB-CB 4.46Å |
| 240 | P | 66.7 | Low | 74.1 | Confident | 110 Ų | 110 | 95.7 Ų | 95.7 | 71% | 0.714 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | 138 | 168.2 | 27.3 | -31.2 | 0 | 0 | 0 | 109.2 | ||
| 241 | N | 68.3 | Low | 74.6 | Confident | 152 Ų | 152 | 96.4 Ų | 96.4 | 81% | 0.813 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 40.1 | 176.7 | -50.8 | -22.9 | 0 | 0 | 0 | 114.9 | V243 | N241-V243 WeakPolarHBondContact O-CG2 3.1Å; N241-V243 PolarHBondContact O-N 3.4Å; N241-V243 VanDerWaalsContact O-N 3.12Å |
| 242 | F | 74.7 | Confident | 75.5 | Confident | 70 Ų | 70 | 96.2 Ų | 96.2 | 31% | 0.307 | 47% | 0.466 | S | S | . | . | trans | -69.3 | 106.9 | 170.2 | -176.6 | -102.2 | 0 | 0 | 0 | 110.8 | L224 R239 L244 | L224-F242 VanDerWaalsContact O-CZ 3.24Å; L224-F242 WeakPolarHBondContact O-CZ 3.42Å; R239-F242 HydrophobicContact CB-CB 4.46Å; F242-L244 HydrophobicContact CE1-CB 3.82Å; F242-L244 HydrophobicContact CE1-CD1 4.46Å; F242-L244 HydrophobicContact CE2-CB 4.39Å; F242-L244 HydrophobicContact CE2-CD1 3.66Å; F242-L244 HydrophobicContact CE2-CG 4.28Å; F242-L244 HydrophobicContact CZ-CB 3.7Å; F242-L244 HydrophobicContact CZ-CD1 3.51Å; F242-L244 HydrophobicContact CZ-CG 4.03Å | ||
| 243 | V | 72.2 | Confident | 76.7 | Confident | 134 Ų | 134 | 89 Ų | 89 | 81% | 0.812 | 43% | 0.433 | S | S | * | . | trans | -114.3 | 76.1 | -178.5 | -169.9 | 0 | 0 | 0 | 0 | 109.9 | N241 | N241-V243 WeakPolarHBondContact O-CG2 3.1Å; N241-V243 PolarHBondContact O-N 3.4Å; N241-V243 VanDerWaalsContact O-N 3.12Å | ||
| 244 | L | 79.1 | Confident | 77.8 | Confident | 61 Ų | 61 | 84 Ų | 84 | 32% | 0.319 | 41% | 0.407 | S | S | . | . | trans | -123.3 | 131.9 | 166.1 | -81.2 | 169.7 | 0 | 0 | 0 | 109.2 | F242 K248 Q249 L252 | F242-L244 HydrophobicContact CE1-CB 3.82Å; F242-L244 HydrophobicContact CE1-CD1 4.46Å; F242-L244 HydrophobicContact CE2-CB 4.39Å; F242-L244 HydrophobicContact CE2-CD1 3.66Å; F242-L244 HydrophobicContact CE2-CG 4.28Å; F242-L244 HydrophobicContact CZ-CB 3.7Å; F242-L244 HydrophobicContact CZ-CD1 3.51Å; F242-L244 HydrophobicContact CZ-CG 4.03Å; L244-K248 HydrophobicContact CD2-CB 4.16Å; L244-Q249 HydrophobicContact CB-CB 4.37Å; L244-L252 HydrophobicContact CD1-CD1 4.37Å; L244-L252 HydrophobicContact CD2-CD1 4.38Å | ||
| 245 | S | 84.3 | Confident | 78.8 | Confident | 65 Ų | 65 | 83.3 Ų | 83.3 | 46% | 0.455 | 40% | 0.398 | S | S | . | . | trans | -67 | 146.3 | 171.1 | 64.6 | 0 | 0 | 0 | 0 | 109.7 | R247 K248 Q249 | S245-R247 PolarHBondContact O-N 3.09Å; S245-R247 VanDerWaalsContact O-N 3.1Å; S245-K248 PolarHBondContact O-N 3.39Å; S245-K248 WeakPolarHBondContact OG-CG 3.32Å; S245-Q249 WeakPolarHBondContact O-CB 3.36Å; S245-Q249 PolarHBondContact O-N 3.41Å | ||
| 246 | V | 84.4 | Confident | 80.2 | Confident | 32 Ų | 32 | 79.8 Ų | 79.8 | 19% | 0.194 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -50.7 | -40.7 | 179.9 | -176.7 | 0 | 0 | 0 | 0 | 111.2 | K248 Q249 L250 L367 V370 L379 | V246-K248 PolarHBondContact O-N 3.33Å; V246-Q249 PolarHBondContact O-N 2.86Å; V246-L250 VanDerWaalsContact O-CB 3.25Å; V246-L250 WeakPolarHBondContact O-CB 3.18Å; V246-L250 PolarHBondContact O-N 3.02Å; V246-L367 HydrophobicContact CG1-CD2 4.07Å; V246-V370 HydrophobicContact CG2-CG2 4.42Å; V246-L379 HydrophobicContact CG1-CD1 4.33Å |
| 247 | R | 84.8 | Confident | 81.4 | Confident | 151 Ų | 151 | 76.2 Ų | 76.2 | 57% | 0.57 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -57.6 | -49.6 | 175.5 | -168.5 | 172.7 | 173.6 | 171.6 | -2.3 | 113.2 | S245 L251 L379 | S245-R247 PolarHBondContact O-N 3.09Å; S245-R247 VanDerWaalsContact O-N 3.1Å; R247-L251 WeakPolarHBondContact O-CB 3.46Å; R247-L251 PolarHBondContact O-N 2.68Å; R247-L251 VanDerWaalsContact O-N 3.13Å; R247-L379 HydrophobicContact CB-CD2 3.48Å; R247-L379 VanDerWaalsContact CB-CD2 3.48Å; R247-L379 HydrophobicContact CG-CD2 3.76Å |
| 248 | K | 85.1 | Confident | 82.1 | Confident | 129 Ų | 129 | 69.5 Ų | 69.5 | 56% | 0.561 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -70.9 | -40.2 | -178.9 | -74.7 | -179.2 | 177.5 | -179.6 | 0 | 110.8 | L244 S245 V246 L251 L252 | L244-K248 HydrophobicContact CD2-CB 4.16Å; S245-K248 PolarHBondContact O-N 3.39Å; S245-K248 WeakPolarHBondContact OG-CG 3.32Å; V246-K248 PolarHBondContact O-N 3.33Å; K248-L251 PolarHBondContact O-N 2.93Å; K248-L252 WeakPolarHBondContact O-CB 3.15Å; K248-L252 VanDerWaalsContact O-CG 3.26Å; K248-L252 WeakPolarHBondContact O-CG 3.26Å; K248-L252 PolarHBondContact O-N 2.74Å |
| 249 | Q | 88.2 | Confident | 82.8 | Confident | 9 Ų | 9 | 62.1 Ų | 62.1 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.5 | -52 | 176.2 | -174.7 | 176.4 | 28.1 | 0 | 0 | 110.8 | L224 L244 S245 V246 L251 L252 V253 L363 | L224-Q249 PolarHBondContact O-NE2 3.11Å; L244-Q249 HydrophobicContact CB-CB 4.37Å; S245-Q249 WeakPolarHBondContact O-CB 3.36Å; S245-Q249 PolarHBondContact O-N 3.41Å; V246-Q249 PolarHBondContact O-N 2.86Å; Q249-L251 PolarHBondContact O-N 3.16Å; Q249-L252 PolarHBondContact O-N 3.12Å; Q249-V253 HydrophobicContact CG-CG2 4.5Å; Q249-V253 VanDerWaalsContact O-CG2 3.28Å; Q249-V253 WeakPolarHBondContact O-CG2 2.9Å; Q249-V253 PolarHBondContact O-N 3.49Å; Q249-L363 HydrophobicContact CG-CD2 4.38Å |
| 250 | L | 86.2 | Confident | 83.6 | Confident | 11 Ų | 11 | 57.7 Ų | 57.7 | 6% | 0.058 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.3 | -49 | 178.1 | -175.4 | 71.2 | 0 | 0 | 0 | 111.8 | V246 L252 V253 V254 L363 A383 L416 F420 | V246-L250 VanDerWaalsContact O-CB 3.25Å; V246-L250 WeakPolarHBondContact O-CB 3.18Å; V246-L250 PolarHBondContact O-N 3.02Å; L250-L252 VanDerWaalsContact C-N 3.33Å; L250-L252 PolarHBondContact O-N 3.06Å; L250-V253 PolarHBondContact O-N 2.92Å; L250-V254 HydrophobicContact CD1-CG2 4.48Å; L250-V254 VanDerWaalsContact O-CG2 3.26Å; L250-V254 WeakPolarHBondContact O-CG2 3.48Å; L250-V254 PolarHBondContact O-N 2.71Å; L250-L363 HydrophobicContact CD1-CD1 4.23Å; L250-A383 HydrophobicContact CD2-CB 3.76Å; L250-L416 HydrophobicContact CD1-CD2 3.5Å; L250-F420 HydrophobicContact CD2-CE2 3.99Å; L250-F420 HydrophobicContact CD2-CZ 3.7Å |
| 251 | L | 84.8 | Confident | 84.7 | Confident | 65 Ų | 65 | 53.3 Ų | 53.3 | 34% | 0.34 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -56.5 | -46.6 | 177.7 | 170.2 | 68.8 | 0 | 0 | 0 | 112 | R247 K248 Q249 R255 L386 | R247-L251 WeakPolarHBondContact O-CB 3.46Å; R247-L251 PolarHBondContact O-N 2.68Å; R247-L251 VanDerWaalsContact O-N 3.13Å; K248-L251 PolarHBondContact O-N 2.93Å; Q249-L251 PolarHBondContact O-N 3.16Å; L251-R255 VanDerWaalsContact O-CB 3.28Å; L251-R255 WeakPolarHBondContact O-CB 3.26Å; L251-R255 PolarHBondContact O-N 3.42Å; L251-L386 HydrophobicContact CB-CD1 4.3Å; L251-L386 HydrophobicContact CD1-CD1 3.37Å; L251-L386 HydrophobicContact CD1-CD2 3.45Å; L251-L386 VanDerWaalsContact CD1-CD2 3.45Å; L251-L386 HydrophobicContact CD1-CG 3.97Å; L251-L386 HydrophobicContact CG-CD1 4.37Å |
| 252 | L | 87.8 | Confident | 85.5 | Confident | 50 Ų | 50 | 50.5 Ų | 50.5 | 26% | 0.262 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -68.6 | -40.1 | -178.2 | -70.2 | 170.8 | 0 | 0 | 0 | 111.5 | L224 L244 K248 Q249 L250 R255 H256 | L224-L252 HydrophobicContact CD1-CB 4.17Å; L224-L252 HydrophobicContact CD2-CB 3.79Å; L224-L252 HydrophobicContact CD2-CD1 3.86Å; L224-L252 HydrophobicContact CD2-CG 4.35Å; L244-L252 HydrophobicContact CD1-CD1 4.37Å; L244-L252 HydrophobicContact CD2-CD1 4.38Å; K248-L252 WeakPolarHBondContact O-CB 3.15Å; K248-L252 VanDerWaalsContact O-CG 3.26Å; K248-L252 WeakPolarHBondContact O-CG 3.26Å; K248-L252 PolarHBondContact O-N 2.74Å; Q249-L252 PolarHBondContact O-N 3.12Å; L250-L252 VanDerWaalsContact C-N 3.33Å; L250-L252 PolarHBondContact O-N 3.06Å; L252-R255 PolarHBondContact O-N 3.42Å; L252-H256 WeakPolarHBondContact O-CB 3.45Å; L252-H256 PolarHBondContact O-N 3.38Å |
| 253 | V | 89.7 | Confident | 86.1 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.1 | -50.4 | 176.2 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | L221 L224 L225 Q249 L250 R255 H256 M257 L363 | L221-V253 HydrophobicContact CD1-CG1 4.04Å; L221-V253 HydrophobicContact CD1-CG2 4.45Å; L224-V253 HydrophobicContact CB-CG2 4.38Å; L225-V253 HydrophobicContact CD2-CG2 3.76Å; L225-V253 HydrophobicContact CG-CG2 4.42Å; Q249-V253 HydrophobicContact CG-CG2 4.5Å; Q249-V253 VanDerWaalsContact O-CG2 3.28Å; Q249-V253 WeakPolarHBondContact O-CG2 2.9Å; Q249-V253 PolarHBondContact O-N 3.49Å; L250-V253 PolarHBondContact O-N 2.92Å; V253-R255 PolarHBondContact O-N 3.15Å; V253-H256 PolarHBondContact O-N 3.41Å; V253-H256 VanDerWaalsContact O-N 3.16Å; V253-M257 HydrophobicContact CG1-SD 4.43Å; V253-M257 WeakPolarHBondContact O-CG 3.27Å; V253-M257 PolarHBondContact O-N 3.27Å; V253-L363 HydrophobicContact CG1-CD1 4.5Å |
| 254 | V | 88.4 | Confident | 86.9 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.024 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59 | -48 | 178.8 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | L250 H256 M257 L258 V387 L390 I411 L416 | L250-V254 HydrophobicContact CD1-CG2 4.48Å; L250-V254 VanDerWaalsContact O-CG2 3.26Å; L250-V254 WeakPolarHBondContact O-CG2 3.48Å; L250-V254 PolarHBondContact O-N 2.71Å; V254-H256 VanDerWaalsContact C-N 3.32Å; V254-H256 PolarHBondContact O-N 2.96Å; V254-M257 PolarHBondContact O-N 2.93Å; V254-L258 HydrophobicContact CG1-CD1 4.15Å; V254-L258 WeakPolarHBondContact O-CG 3.47Å; V254-L258 PolarHBondContact O-N 2.68Å; V254-V387 HydrophobicContact CG1-CG2 4.17Å; V254-L390 HydrophobicContact CG1-CD1 4.32Å; V254-I411 HydrophobicContact CG1-CD1 4.16Å; V254-I411 HydrophobicContact CG1-CG2 4.43Å; V254-I411 HydrophobicContact CG2-CG2 4.16Å; V254-L416 HydrophobicContact CG2-CD1 3.83Å |
| 255 | R | 87.4 | Confident | 87.1 | Confident | 127 Ų | 127 | 40.8 Ų | 40.8 | 48% | 0.479 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.1 | -39.9 | 177.3 | -175.5 | 174.8 | -179.9 | 143.8 | 0.4 | 111.9 | L251 L252 V253 S259 | L251-R255 VanDerWaalsContact O-CB 3.28Å; L251-R255 WeakPolarHBondContact O-CB 3.26Å; L251-R255 PolarHBondContact O-N 3.42Å; L252-R255 PolarHBondContact O-N 3.42Å; V253-R255 PolarHBondContact O-N 3.15Å; R255-S259 VanDerWaalsContact O-CB 3.26Å; R255-S259 WeakPolarHBondContact O-CB 3.28Å; R255-S259 PolarHBondContact O-N 3.06Å; R255-S259 PolarHBondContact O-OG 3.41Å |
| 256 | H | 90 | Very high | 87.2 | Confident | 3 Ų | 3 | 39.8 Ų | 39.8 | 1% | 0.014 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67 | -41.3 | -179.8 | -171.7 | 84.7 | 0 | 0 | 0 | 112.1 | R217 L221 L224 L252 V253 V254 S259 T260 | R217-H256 PolarHBondContact NH1-CE1 2.92Å; R217-H256 PolarHBondContact NH2-CE1 3.16Å; R217-H256 VanDerWaalsContact NH2-CE1 3.25Å; R217-H256 PolarHBondContact NH2-ND1 2.95Å; R217-H256 PolarHBondContact NH2-O 3.01Å; R217-H256 PolarHBondContact O-NE2 3.07Å; L221-H256 PolarHBondContact N-NE2 3.45Å; L224-H256 HydrophobicContact CD1-CB 3.7Å; L252-H256 WeakPolarHBondContact O-CB 3.45Å; L252-H256 PolarHBondContact O-N 3.38Å; V253-H256 PolarHBondContact O-N 3.41Å; V253-H256 VanDerWaalsContact O-N 3.16Å; V254-H256 VanDerWaalsContact C-N 3.32Å; V254-H256 PolarHBondContact O-N 2.96Å; H256-S259 WeakPolarHBondContact CA-OG 3.42Å; H256-S259 PolarHBondContact O-OG 2.92Å; H256-S259 VanDerWaalsContact O-OG 3.06Å; H256-T260 WeakPolarHBondContact O-CB 3.4Å; H256-T260 PolarHBondContact O-N 3.41Å; H256-T260 PolarHBondContact O-OG1 2.84Å |
| 257 | M | 89.6 | Confident | 87.3 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.1 | -46.8 | 176.5 | -69.1 | -170.9 | 78.6 | 0 | 0 | 112.2 | L221 V253 V254 T260 L261 W351 A355 I356 F409 I411 L415 | L221-M257 HydrophobicContact CD1-CG 4.45Å; V253-M257 HydrophobicContact CG1-SD 4.43Å; V253-M257 WeakPolarHBondContact O-CG 3.27Å; V253-M257 PolarHBondContact O-N 3.27Å; V254-M257 PolarHBondContact O-N 2.93Å; M257-T260 WeakPolarHBondContact O-CB 3.41Å; M257-T260 PolarHBondContact O-N 3.33Å; M257-T260 VanDerWaalsContact O-N 3.15Å; M257-L261 PolarHBondContact O-N 3.18Å; M257-W351 HydrophobicContact CE-CZ3 4.27Å; M257-W351 HydrophobicContact CG-CH2 4.28Å; M257-A355 HydrophobicContact CE-CB 3.88Å; M257-I356 HydrophobicContact CE-CG1 4.35Å; M257-F409 HydrophobicContact CB-CE1 4.22Å; M257-F409 HydrophobicContact CE-CE1 4.07Å; M257-F409 HydrophobicContact CE-CZ 3.55Å; M257-F409 HydrophobicContact SD-CZ 4.5Å; M257-I411 HydrophobicContact CB-CD1 3.82Å; M257-L415 HydrophobicContact SD-CD2 4.03Å |
| 258 | L | 87.2 | Confident | 87.3 | Confident | 29 Ų | 29 | 32 Ų | 32 | 15% | 0.152 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.3 | -45 | 177.7 | -67.6 | 177.1 | 0 | 0 | 0 | 111.9 | V254 T260 L261 E262 L390 F409 I411 | V254-L258 HydrophobicContact CG1-CD1 4.15Å; V254-L258 WeakPolarHBondContact O-CG 3.47Å; V254-L258 PolarHBondContact O-N 2.68Å; L258-T260 PolarHBondContact O-N 3.15Å; L258-L261 PolarHBondContact O-N 2.86Å; L258-E262 PolarHBondContact O-N 2.99Å; L258-L390 HydrophobicContact CD1-CB 3.5Å; L258-L390 HydrophobicContact CD1-CD1 3.65Å; L258-L390 HydrophobicContact CD1-CG 4.19Å; L258-F409 HydrophobicContact CD2-CD1 4.32Å; L258-I411 HydrophobicContact CB-CD1 4.47Å; L258-I411 HydrophobicContact CD1-CD1 4.09Å; L258-I411 HydrophobicContact CD2-CD1 3.36Å; L258-I411 HydrophobicContact CD2-CG1 3.91Å; L258-I411 HydrophobicContact CG-CD1 3.33Å; L258-I411 HydrophobicContact CG-CG1 4.38Å |
| 259 | S | 87.6 | Confident | 87 | Confident | 8 Ų | 8 | 26.5 Ų | 26.5 | 6% | 0.056 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.5 | -29.3 | 175.5 | 55.7 | 0 | 0 | 0 | 0 | 112.5 | R217 R255 H256 L261 Y263 | R217-S259 PolarHBondContact NH2-OG 3.28Å; R217-S259 VanDerWaalsContact NH2-OG 3.15Å; R255-S259 VanDerWaalsContact O-CB 3.26Å; R255-S259 WeakPolarHBondContact O-CB 3.28Å; R255-S259 PolarHBondContact O-N 3.06Å; R255-S259 PolarHBondContact O-OG 3.41Å; H256-S259 WeakPolarHBondContact CA-OG 3.42Å; H256-S259 PolarHBondContact O-OG 2.92Å; H256-S259 VanDerWaalsContact O-OG 3.06Å; S259-L261 VanDerWaalsContact C-N 3.35Å; S259-Y263 WeakPolarHBondContact O-CB 3.29Å; S259-Y263 WeakPolarHBondContact O-CD1 3.44Å; S259-Y263 VanDerWaalsContact O-CD2 3.29Å; S259-Y263 WeakPolarHBondContact O-CD2 3.29Å; S259-Y263 PolarHBondContact O-N 3.24Å |
| 260 | T | 90.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.1 | -40.2 | 175.2 | -60.1 | 0 | 0 | 0 | 0 | 111.2 | F213 F214 R217 H256 M257 L258 L264 W348 W351 | F213-T260 HydrophobicContact CE1-CG2 3.94Å; F213-T260 HydrophobicContact CZ-CG2 3.97Å; F214-T260 HydrophobicContact CE1-CG2 4.44Å; R217-T260 HydrophobicContact CB-CG2 3.94Å; R217-T260 HydrophobicContact CG-CG2 3.8Å; R217-T260 PolarHBondContact NE-OG1 3.06Å; R217-T260 PolarHBondContact NH2-OG1 2.9Å; H256-T260 WeakPolarHBondContact O-CB 3.4Å; H256-T260 PolarHBondContact O-N 3.41Å; H256-T260 PolarHBondContact O-OG1 2.84Å; M257-T260 WeakPolarHBondContact O-CB 3.41Å; M257-T260 PolarHBondContact O-N 3.33Å; M257-T260 VanDerWaalsContact O-N 3.15Å; L258-T260 PolarHBondContact O-N 3.15Å; T260-L264 VanDerWaalsContact O-CB 3.25Å; T260-L264 WeakPolarHBondContact O-CB 3.46Å; T260-L264 PolarHBondContact O-N 2.97Å; T260-W348 HydrophobicContact CG2-CZ3 4.17Å; T260-W351 HydrophobicContact CG2-CE3 4.38Å; T260-W351 HydrophobicContact CG2-CH2 3.77Å; T260-W351 HydrophobicContact CG2-CZ2 3.95Å; T260-W351 HydrophobicContact CG2-CZ3 4Å |
| 261 | L | 87.9 | Confident | 84.5 | Confident | 18 Ų | 18 | 32.9 Ų | 32.9 | 9% | 0.094 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.1 | -50.4 | 173.7 | -177.2 | 59.3 | 0 | 0 | 0 | 111.5 | M257 L258 S259 Y263 L264 E265 W348 I407 F409 | M257-L261 PolarHBondContact O-N 3.18Å; L258-L261 PolarHBondContact O-N 2.86Å; S259-L261 VanDerWaalsContact C-N 3.35Å; L261-Y263 VanDerWaalsContact C-N 3.27Å; L261-Y263 PolarHBondContact O-N 3.16Å; L261-L264 WeakPolarHBondContact O-CB 3.13Å; L261-L264 PolarHBondContact O-N 3.45Å; L261-L264 VanDerWaalsContact O-N 3.16Å; L261-E265 PolarHBondContact O-N 2.96Å; L261-W348 HydrophobicContact CB-CH2 3.71Å; L261-W348 HydrophobicContact CB-CZ2 4.22Å; L261-W348 HydrophobicContact CB-CZ3 3.91Å; L261-W348 HydrophobicContact CD1-CD2 3.98Å; L261-W348 HydrophobicContact CD1-CE3 4.11Å; L261-W348 HydrophobicContact CD1-CH2 4.26Å; L261-W348 HydrophobicContact CD1-CZ2 4.13Å; L261-W348 HydrophobicContact CD1-CZ3 4.24Å; L261-W348 HydrophobicContact CD2-CZ2 4.25Å; L261-W348 HydrophobicContact CG-CH2 4.4Å; L261-W348 HydrophobicContact CG-CZ2 4.44Å; L261-I407 HydrophobicContact CD1-CB 4.01Å; L261-I407 HydrophobicContact CD1-CD1 4.48Å; L261-I407 HydrophobicContact CD1-CG2 3.77Å; L261-F409 HydrophobicContact CD2-CB 3.65Å; L261-F409 HydrophobicContact CD2-CD1 4.29Å; L261-F409 HydrophobicContact CD2-CG 4.45Å |
| 262 | E | 85 | Confident | 82.8 | Confident | 93 Ų | 93 | 34 Ų | 34 | 44% | 0.435 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -56.7 | -42.3 | 178.9 | -174.2 | -170.8 | 163.8 | 0 | 0 | 111.6 | L258 E265 F266 | L258-E262 PolarHBondContact O-N 2.99Å; E262-E265 PolarHBondContact O-N 2.9Å; E262-F266 WeakPolarHBondContact O-CB 3.45Å; E262-F266 PolarHBondContact O-N 2.85Å |
| 263 | Y | 88.1 | Confident | 80.7 | Confident | 22 Ų | 22 | 37.5 Ų | 37.5 | 9% | 0.086 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -74.9 | -33.8 | -179.4 | -63 | -7.5 | 0 | 0 | 0 | 111.9 | S186 K188 L191 S259 L261 E265 F266 L267 | S186-Y263 PolarHBondContact O-OH 3.29Å; K188-Y263 HydrophobicContact CB-CD1 3.81Å; K188-Y263 HydrophobicContact CB-CE1 3.66Å; L191-Y263 HydrophobicContact CD1-CD2 3.77Å; L191-Y263 HydrophobicContact CD1-CE2 4.06Å; S259-Y263 WeakPolarHBondContact O-CB 3.29Å; S259-Y263 WeakPolarHBondContact O-CD1 3.44Å; S259-Y263 VanDerWaalsContact O-CD2 3.29Å; S259-Y263 WeakPolarHBondContact O-CD2 3.29Å; S259-Y263 PolarHBondContact O-N 3.24Å; L261-Y263 VanDerWaalsContact C-N 3.27Å; L261-Y263 PolarHBondContact O-N 3.16Å; Y263-E265 VanDerWaalsContact C-N 3.33Å; Y263-F266 PolarHBondContact O-N 3.41Å; Y263-L267 WeakPolarHBondContact O-CB 3.26Å; Y263-L267 WeakPolarHBondContact O-CD1 3.34Å; Y263-L267 WeakPolarHBondContact O-CG 3.43Å; Y263-L267 PolarHBondContact O-N 2.84Å |
| 264 | L | 88.6 | Confident | 78.3 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.2 | -46.5 | 172 | 176.8 | 136.3 | 0 | 0 | 0 | 110.7 | L210 F213 F214 T260 L261 F268 L344 I407 | L210-L264 HydrophobicContact CD1-CD1 4.1Å; F213-L264 HydrophobicContact CE1-CB 3.98Å; F213-L264 HydrophobicContact CE1-CD1 4.26Å; F213-L264 HydrophobicContact CZ-CB 4.31Å; F214-L264 HydrophobicContact CE1-CD1 3.82Å; F214-L264 HydrophobicContact CE2-CD1 3.69Å; F214-L264 HydrophobicContact CZ-CD1 3.09Å; T260-L264 VanDerWaalsContact O-CB 3.25Å; T260-L264 WeakPolarHBondContact O-CB 3.46Å; T260-L264 PolarHBondContact O-N 2.97Å; L261-L264 WeakPolarHBondContact O-CB 3.13Å; L261-L264 PolarHBondContact O-N 3.45Å; L261-L264 VanDerWaalsContact O-N 3.16Å; L264-F268 WeakPolarHBondContact O-CD2 3.23Å; L264-F268 PolarHBondContact O-N 3.28Å; L264-L344 HydrophobicContact CD1-CD2 4.36Å; L264-L344 HydrophobicContact CD2-CB 4.38Å; L264-L344 HydrophobicContact CD2-CD2 4.39Å; L264-L344 HydrophobicContact CG-CD2 4.31Å; L264-I407 HydrophobicContact CD2-CD1 3.82Å |
| 265 | E | 84.7 | Confident | 75.9 | Confident | 40 Ų | 40 | 48.9 Ų | 48.9 | 19% | 0.187 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.4 | -47.9 | 176.3 | -65 | -173.5 | 153.4 | 0 | 0 | 110.8 | L261 E262 Y263 L267 L269 | L261-E265 PolarHBondContact O-N 2.96Å; E262-E265 PolarHBondContact O-N 2.9Å; Y263-E265 VanDerWaalsContact C-N 3.33Å; E265-L267 PolarHBondContact O-N 2.89Å; E265-L269 HydrophobicContact CB-CD1 4.19Å; E265-L269 HydrophobicContact CG-CD1 4.07Å; E265-L269 WeakPolarHBondContact O-CA 3.45Å; E265-L269 VanDerWaalsContact O-CB 3.23Å; E265-L269 WeakPolarHBondContact O-CB 3.44Å; E265-L269 PolarHBondContact O-N 3.34Å |
| 266 | F | 85 | Confident | 73.6 | Confident | 43 Ų | 43 | 48.1 Ų | 48.1 | 19% | 0.189 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.5 | -40 | 178.6 | 173.3 | -105.3 | 0 | 0 | 0 | 114.3 | K188 C192 E262 Y263 A282 | K188-F266 HydrophobicContact CB-CD1 3.84Å; K188-F266 HydrophobicContact CB-CE1 3.9Å; K188-F266 HydrophobicContact CB-CG 4.42Å; K188-F266 HydrophobicContact CD-CD1 4.31Å; K188-F266 HydrophobicContact CD-CD2 4.08Å; K188-F266 HydrophobicContact CD-CE1 4.28Å; K188-F266 HydrophobicContact CD-CE2 4.05Å; K188-F266 HydrophobicContact CD-CG 4.2Å; K188-F266 HydrophobicContact CD-CZ 4.15Å; K188-F266 HydrophobicContact CG-CD1 4.27Å; K188-F266 HydrophobicContact CG-CE1 3.99Å; K188-F266 HydrophobicContact CG-CZ 4.14Å; C192-F266 HydrophobicContact CB-CE1 4.16Å; E262-F266 WeakPolarHBondContact O-CB 3.45Å; E262-F266 PolarHBondContact O-N 2.85Å; Y263-F266 PolarHBondContact O-N 3.41Å; F266-A282 HydrophobicContact CD1-CB 4Å; F266-A282 HydrophobicContact CD2-CB 4.25Å; F266-A282 HydrophobicContact CE1-CB 3.57Å; F266-A282 HydrophobicContact CE2-CB 3.85Å; F266-A282 HydrophobicContact CG-CB 4.33Å; F266-A282 HydrophobicContact CZ-CB 3.49Å; F266-A282 VanDerWaalsContact CZ-CB 3.49Å; F266-A282 WeakPolarHBondContact O-CB 3.42Å; F266-A282 PolarHBondContact O-N 2.84Å; F266-A282 VanDerWaalsContact O-N 3.09Å |
| 267 | L | 86.6 | Confident | 71.6 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -73.6 | -39.4 | -175.4 | -72.9 | 171.2 | 0 | 0 | 0 | 112.4 | L191 C192 F213 Y263 E265 G281 A282 L283 | L191-L267 HydrophobicContact CD2-CD1 3.82Å; C192-L267 HydrophobicContact CB-CD2 3.49Å; C192-L267 VanDerWaalsContact CB-CD2 3.49Å; F213-L267 HydrophobicContact CD2-CD1 3.73Å; F213-L267 HydrophobicContact CE2-CD1 3.73Å; F213-L267 HydrophobicContact CG-CD1 4.46Å; F213-L267 HydrophobicContact CZ-CD1 4.46Å; Y263-L267 WeakPolarHBondContact O-CB 3.26Å; Y263-L267 WeakPolarHBondContact O-CD1 3.34Å; Y263-L267 WeakPolarHBondContact O-CG 3.43Å; Y263-L267 PolarHBondContact O-N 2.84Å; E265-L267 PolarHBondContact O-N 2.89Å; L267-G281 CarbonylContact O-C 3.59Å; L267-G281 VanDerWaalsContact O-C 3.29Å; L267-G281 VanDerWaalsContact O-CA 3.32Å; L267-G281 WeakPolarHBondContact O-CA 3.34Å; L267-A282 PolarHBondContact O-N 3.19Å; L267-A282 VanDerWaalsContact O-N 3.17Å; L267-L283 WeakPolarHBondContact O-CB 3.44Å; L267-L283 PolarHBondContact O-N 3.17Å; L267-L283 VanDerWaalsContact O-N 3.11Å |
| 268 | F | 85.1 | Confident | 69.7 | Low | 20 Ų | 20 | 53.7 Ų | 53.7 | 9% | 0.088 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -112.5 | -22.3 | -168.5 | -62.9 | -80.7 | 0 | 0 | 0 | 114.2 | L210 L264 L283 L344 | L210-F268 HydrophobicContact CB-CE1 4.26Å; L210-F268 HydrophobicContact CB-CZ 3.93Å; L210-F268 HydrophobicContact CD1-CD2 3.95Å; L210-F268 HydrophobicContact CD1-CE1 4.36Å; L210-F268 HydrophobicContact CD1-CE2 3.49Å; L210-F268 VanDerWaalsContact CD1-CE2 3.49Å; L210-F268 HydrophobicContact CD1-CZ 3.73Å; L210-F268 HydrophobicContact CG-CZ 4.47Å; L264-F268 WeakPolarHBondContact O-CD2 3.23Å; L264-F268 PolarHBondContact O-N 3.28Å; F268-L283 HydrophobicContact CE1-CD2 4.02Å; F268-L283 HydrophobicContact CZ-CD2 4.38Å; F268-L344 HydrophobicContact CB-CD1 3.86Å; F268-L344 HydrophobicContact CB-CD2 4Å; F268-L344 HydrophobicContact CD2-CD2 4.21Å; F268-L344 HydrophobicContact CG-CD2 4.06Å |
| 269 | L | 79.1 | Confident | 67.8 | Low | 13 Ų | 13 | 54.6 Ų | 54.6 | 7% | 0.068 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -106.2 | 149.7 | 176.7 | -56.9 | 170.5 | 0 | 0 | 0 | 111.1 | E265 G281 Y337 L340 I341 L344 P406 | E265-L269 HydrophobicContact CB-CD1 4.19Å; E265-L269 HydrophobicContact CG-CD1 4.07Å; E265-L269 WeakPolarHBondContact O-CA 3.45Å; E265-L269 VanDerWaalsContact O-CB 3.23Å; E265-L269 WeakPolarHBondContact O-CB 3.44Å; E265-L269 PolarHBondContact O-N 3.34Å; L269-G281 WeakPolarHBondContact O-CA 3.44Å; L269-Y337 HydrophobicContact CD2-CE2 4.06Å; L269-L340 HydrophobicContact CD2-CD2 3.71Å; L269-I341 HydrophobicContact CD2-CG1 4Å; L269-L344 HydrophobicContact CD1-CD1 4.49Å; L269-L344 HydrophobicContact CD2-CD1 3.85Å; L269-L344 HydrophobicContact CG-CD1 3.98Å; L269-P406 HydrophobicContact CD1-CG 3.58Å |
| 270 | S | 65.2 | Low | 66.7 | Low | 32 Ų | 32 | 57.5 Ų | 57.5 | 22% | 0.224 | 34% | 0.34 | C | S | . | . | trans | -93.9 | 127.8 | -179.7 | 33 | 0 | 0 | 0 | 0 | 111.7 | T272 | S270-T272 VanDerWaalsContact C-N 3.29Å; S270-T272 PolarHBondContact O-N 2.96Å | ||
| 271 | N | 57.3 | Low | 66.1 | Low | 121 Ų | 121 | 57.8 Ų | 57.8 | 65% | 0.647 | 34% | 0.343 | S | S | * | . | trans | -75.1 | -11.4 | 178.5 | -80.6 | 16.6 | 0 | 0 | 0 | 114.2 | S273 | N271-S273 PolarHBondContact O-N 3.29Š| ||
| 272 | T | 48.3 | Very low | 66 | Low | 90 Ų | 90 | 57.7 Ų | 57.7 | 55% | 0.552 | 35% | 0.345 | S | S | * | . | trans | -94.8 | 104.2 | -170.9 | 50.3 | 0 | 0 | 0 | 0 | 111.8 | S270 G274 S277 | S270-T272 VanDerWaalsContact C-N 3.29Å; S270-T272 PolarHBondContact O-N 2.96Å; T272-G274 PolarHBondContact O-N 3.48Å; T272-S277 PolarHBondContact OG1-OG 3.47Å | ||
| 273 | S | 42.7 | Very low | 66 | Low | 123 Ų | 123 | 53.4 Ų | 53.4 | 86% | 0.86 | 33% | 0.325 | S | S | * | . | trans | -72.8 | 23.5 | 167.3 | 51 | 0 | 0 | 0 | 0 | 113.8 | N271 | N271-S273 PolarHBondContact O-N 3.29Š| ||
| 274 | G | 40.3 | Very low | 65.7 | Low | 43 Ų | 43 | 53.3 Ų | 53.3 | 44% | 0.443 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -98.5 | 129.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T272 S277 | T272-G274 PolarHBondContact O-N 3.48Å; G274-S277 PolarHBondContact O-OG 2.92Å |
| 275 | E | 37.3 | Very low | 65.3 | Low | 200 Ų | 200 | 56.5 Ų | 56.5 | 94% | 0.935 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -35.5 | 131.8 | 178.9 | -63.4 | 169.8 | 171.3 | 0 | 0 | 113.7 | ||
| 276 | A | 40.2 | Very low | 65.2 | Low | 112 Ų | 112 | 57.9 Ų | 57.9 | 93% | 0.926 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 17.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 277 | S | 46.6 | Very low | 65.1 | Low | 57 Ų | 57 | 56 Ų | 56 | 40% | 0.399 | 34% | 0.344 | S | S | . | . | trans | -92.6 | 120.2 | 168.7 | 57.6 | 0 | 0 | 0 | 0 | 111.4 | T272 G274 C279 | T272-S277 PolarHBondContact OG1-OG 3.47Å; G274-S277 PolarHBondContact O-OG 2.92Å; S277-C279 PolarHBondContact O-N 3.47Å | ||
| 278 | T | 50.1 | Low | 64.8 | Low | 63 Ų | 63 | 61.1 Ų | 61.1 | 39% | 0.387 | 36% | 0.363 | S | S | . | . | trans | -50.9 | 129.2 | 174.5 | 55.4 | 0 | 0 | 0 | 0 | 110.1 | K280 | T278-K280 PolarHBondContact O-N 3Š| ||
| 279 | C | 48 | Very low | 64.5 | Low | 47 Ų | 47 | 66.8 Ų | 66.8 | 32% | 0.318 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -57.2 | 70 | -179.2 | -60.7 | 0 | 0 | 0 | 0 | 114 | S277 Y337 | S277-C279 PolarHBondContact O-N 3.47Å; C279-Y337 HydrophobicContact CB-CD2 3.78Å |
| 280 | K | 65.1 | Low | 64.4 | Low | 69 Ų | 69 | 66.1 Ų | 66.1 | 30% | 0.3 | 38% | 0.381 | S | S | . | . | trans | -134.5 | 122.9 | -169.1 | -57 | -162.3 | -171 | -159 | 0 | 109.8 | T278 D284 D326 | T278-K280 PolarHBondContact O-N 3Å; K280-D284 HydrophobicContact CB-CB 4.08Å; K280-D284 WeakPolarHBondContact CD-OD2 3.49Å; K280-D284 IonicContact NZ-OD2 3.85Å; K280-D326 IonicContact NZ-OD2 3.9Å; K280-D326 PolarHBondContact NZ-OD2 3.28Å | ||
| 281 | G | 78 | Confident | 64.8 | Low | 6 Ų | 6 | 66.2 Ų | 66.2 | 6% | 0.062 | 38% | 0.38 | C | S | . | . | trans | -71.9 | -179.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L267 L269 L283 D284 S285 | L267-G281 CarbonylContact O-C 3.59Å; L267-G281 VanDerWaalsContact O-C 3.29Å; L267-G281 VanDerWaalsContact O-CA 3.32Å; L267-G281 WeakPolarHBondContact O-CA 3.34Å; L269-G281 WeakPolarHBondContact O-CA 3.44Å; G281-L283 PolarHBondContact O-N 3.42Å; G281-L283 VanDerWaalsContact O-N 3.15Å; G281-D284 PolarHBondContact O-N 2.73Å; G281-S285 PolarHBondContact O-N 2.93Å | ||
| 282 | A | 84.5 | Confident | 65.7 | Low | 17 Ų | 17 | 65 Ų | 65 | 14% | 0.14 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.6 | -30.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F266 L267 S285 R286 | F266-A282 HydrophobicContact CD1-CB 4Å; F266-A282 HydrophobicContact CD2-CB 4.25Å; F266-A282 HydrophobicContact CE1-CB 3.57Å; F266-A282 HydrophobicContact CE2-CB 3.85Å; F266-A282 HydrophobicContact CG-CB 4.33Å; F266-A282 HydrophobicContact CZ-CB 3.49Å; F266-A282 VanDerWaalsContact CZ-CB 3.49Å; F266-A282 WeakPolarHBondContact O-CB 3.42Å; F266-A282 PolarHBondContact O-N 2.84Å; F266-A282 VanDerWaalsContact O-N 3.09Å; L267-A282 PolarHBondContact O-N 3.19Å; L267-A282 VanDerWaalsContact O-N 3.17Å; A282-S285 WeakPolarHBondContact CA-OG 3.24Å; A282-S285 PolarHBondContact O-N 2.96Å; A282-S285 PolarHBondContact O-OG 3Å; A282-R286 WeakPolarHBondContact O-CB 3.41Å; A282-R286 PolarHBondContact O-N 3.38Å |
| 283 | L | 85.6 | Confident | 67.2 | Low | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.016 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.4 | -52.1 | 178.6 | 177.6 | 62.8 | 0 | 0 | 0 | 111.8 | L195 A196 A209 L267 F268 G281 S285 R286 I287 F324 | L195-L283 HydrophobicContact CB-CD1 4.29Å; L195-L283 HydrophobicContact CD2-CD1 3.48Å; L195-L283 VanDerWaalsContact CD2-CD1 3.48Å; L195-L283 HydrophobicContact CD2-CD2 3.31Å; L195-L283 HydrophobicContact CD2-CG 3.96Å; L195-L283 HydrophobicContact CG-CD1 4.43Å; A196-L283 HydrophobicContact CB-CD1 3.98Å; A209-L283 HydrophobicContact CB-CD2 4.22Å; L267-L283 WeakPolarHBondContact O-CB 3.44Å; L267-L283 PolarHBondContact O-N 3.17Å; L267-L283 VanDerWaalsContact O-N 3.11Å; F268-L283 HydrophobicContact CE1-CD2 4.02Å; F268-L283 HydrophobicContact CZ-CD2 4.38Å; G281-L283 PolarHBondContact O-N 3.42Å; G281-L283 VanDerWaalsContact O-N 3.15Å; L283-S285 VanDerWaalsContact C-N 3.29Å; L283-S285 PolarHBondContact O-N 3.22Å; L283-R286 PolarHBondContact O-N 2.89Å; L283-R286 VanDerWaalsContact O-N 3.1Å; L283-I287 HydrophobicContact CD1-CD1 3.85Å; L283-I287 HydrophobicContact CD1-CG1 4.19Å; L283-I287 HydrophobicContact CD2-CD1 4.49Å; L283-I287 HydrophobicContact CG-CD1 3.81Å; L283-I287 HydrophobicContact CG-CG1 4.49Å; L283-I287 WeakPolarHBondContact O-CG1 3.45Å; L283-I287 PolarHBondContact O-N 3.24Å; L283-F324 HydrophobicContact CD2-CE1 4.44Å; L283-F324 HydrophobicContact CD2-CZ 3.91Å; L283-F324 HydrophobicContact CG-CZ 4.49Å |
| 284 | D | 81 | Confident | 68.9 | Low | 19 Ų | 19 | 56.6 Ų | 56.6 | 10% | 0.102 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.1 | -38.6 | -179 | -176.6 | 56.9 | 0 | 0 | 0 | 111 | K280 G281 R286 I287 R288 | K280-D284 HydrophobicContact CB-CB 4.08Å; K280-D284 WeakPolarHBondContact CD-OD2 3.49Å; K280-D284 IonicContact NZ-OD2 3.85Å; G281-D284 PolarHBondContact O-N 2.73Å; D284-R286 VanDerWaalsContact C-N 3.3Å; D284-R286 PolarHBondContact O-N 3.06Å; D284-I287 PolarHBondContact O-N 3.44Å; D284-R288 VanDerWaalsContact O-CB 3.27Å; D284-R288 WeakPolarHBondContact O-CB 3.48Å; D284-R288 PolarHBondContact O-N 3.16Å; D284-R288 IonicContact OD2-CZ 3.97Å; D284-R288 IonicContact OD2-NE 2.74Å; D284-R288 IonicContact OD2-NH2 3.95Å; D284-R288 PolarHBondContact OD2-NH2 3.47Å |
| 285 | S | 81 | Confident | 70.5 | Confident | 68 Ų | 68 | 54.8 Ų | 54.8 | 48% | 0.476 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.1 | -39.7 | 174.1 | 79.8 | 0 | 0 | 0 | 0 | 112.3 | G281 A282 L283 W289 | G281-S285 PolarHBondContact O-N 2.93Å; A282-S285 WeakPolarHBondContact CA-OG 3.24Å; A282-S285 PolarHBondContact O-N 2.96Å; A282-S285 PolarHBondContact O-OG 3Å; L283-S285 VanDerWaalsContact C-N 3.29Å; L283-S285 PolarHBondContact O-N 3.22Å; S285-W289 WeakPolarHBondContact O-CB 3.39Å; S285-W289 PolarHBondContact O-N 3.09Å |
| 286 | R | 83.1 | Confident | 72 | Confident | 68 Ų | 68 | 50.1 Ų | 50.1 | 26% | 0.257 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -73.3 | -40.6 | -179.6 | -175.3 | 72.2 | 93.6 | -173.3 | 7 | 111.9 | D193 A196 A282 L283 D284 S290 | D193-R286 IonicContact OD1-NE 2.66Å; A196-R286 HydrophobicContact CB-CB 4.25Å; A196-R286 HydrophobicContact CB-CG 3.73Å; A282-R286 WeakPolarHBondContact O-CB 3.41Å; A282-R286 PolarHBondContact O-N 3.38Å; L283-R286 PolarHBondContact O-N 2.89Å; L283-R286 VanDerWaalsContact O-N 3.1Å; D284-R286 VanDerWaalsContact C-N 3.3Å; D284-R286 PolarHBondContact O-N 3.06Å; R286-S290 WeakPolarHBondContact O-CB 3.36Å; R286-S290 PolarHBondContact O-N 3.22Å; R286-S290 PolarHBondContact O-OG 3.25Å |
| 287 | I | 82.3 | Confident | 73.4 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.3 | -48.6 | 175.4 | -69.2 | 171.5 | 0 | 0 | 0 | 109.5 | A196 S199 L283 D284 W289 S290 V291 F322 F324 | A196-I287 HydrophobicContact CB-CG1 4.01Å; S199-I287 VanDerWaalsContact OG-CD1 3.26Å; S199-I287 WeakPolarHBondContact OG-CD1 3.39Å; L283-I287 HydrophobicContact CD1-CD1 3.85Å; L283-I287 HydrophobicContact CD1-CG1 4.19Å; L283-I287 HydrophobicContact CD2-CD1 4.49Å; L283-I287 HydrophobicContact CG-CD1 3.81Å; L283-I287 HydrophobicContact CG-CG1 4.49Å; L283-I287 WeakPolarHBondContact O-CG1 3.45Å; L283-I287 PolarHBondContact O-N 3.24Å; D284-I287 PolarHBondContact O-N 3.44Å; I287-W289 PolarHBondContact O-N 3.29Å; I287-S290 CarbonylContact O-C 3.58Å; I287-S290 WeakPolarHBondContact O-CA 3.49Å; I287-S290 WeakPolarHBondContact O-CB 3.32Å; I287-S290 PolarHBondContact O-N 3.07Å; I287-V291 HydrophobicContact CG2-CG2 4.49Å; I287-V291 WeakPolarHBondContact O-CG2 3.42Å; I287-V291 PolarHBondContact O-N 3.12Å; I287-F322 HydrophobicContact CG2-CD1 3.71Å; I287-F322 HydrophobicContact CG2-CE1 3.51Å; I287-F324 HydrophobicContact CD1-CD1 4.42Å; I287-F324 HydrophobicContact CD1-CD2 3.57Å; I287-F324 HydrophobicContact CD1-CE1 4.21Å; I287-F324 HydrophobicContact CD1-CE2 3.36Å; I287-F324 HydrophobicContact CD1-CG 4.1Å; I287-F324 HydrophobicContact CD1-CZ 3.72Å |
| 288 | R | 80 | Confident | 74.5 | Confident | 108 Ų | 108 | 47.4 Ų | 47.4 | 41% | 0.408 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.7 | -46.3 | 178.5 | -167.8 | -177 | -53.4 | 168.4 | 4.1 | 112.1 | D284 S290 V291 D292 | D284-R288 VanDerWaalsContact O-CB 3.27Å; D284-R288 WeakPolarHBondContact O-CB 3.48Å; D284-R288 PolarHBondContact O-N 3.16Å; D284-R288 IonicContact OD2-CZ 3.97Å; D284-R288 IonicContact OD2-NE 2.74Å; D284-R288 IonicContact OD2-NH2 3.95Å; D284-R288 PolarHBondContact OD2-NH2 3.47Å; R288-S290 PolarHBondContact O-N 2.85Å; R288-V291 PolarHBondContact O-N 2.86Å; R288-V291 VanDerWaalsContact O-N 3.08Å; R288-D292 PolarHBondContact O-N 3.01Å |
| 289 | W | 79.1 | Confident | 75.3 | Confident | 139 Ų | 139 | 49.6 Ų | 49.6 | 53% | 0.527 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.1 | -35.2 | 174.2 | -178.1 | 66.4 | 0 | 0 | 0 | 112.4 | S285 I287 W293 | S285-W289 WeakPolarHBondContact O-CB 3.39Å; S285-W289 PolarHBondContact O-N 3.09Å; I287-W289 PolarHBondContact O-N 3.29Å; W289-W293 PolarHBondContact O-N 2.68Å |
| 290 | S | 76.1 | Confident | 76.1 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -71.9 | -32.4 | 176.3 | -57 | 0 | 0 | 0 | 0 | 112.6 | R286 I287 R288 W293 L319 | R286-S290 WeakPolarHBondContact O-CB 3.36Å; R286-S290 PolarHBondContact O-N 3.22Å; R286-S290 PolarHBondContact O-OG 3.25Å; I287-S290 CarbonylContact O-C 3.58Å; I287-S290 WeakPolarHBondContact O-CA 3.49Å; I287-S290 WeakPolarHBondContact O-CB 3.32Å; I287-S290 PolarHBondContact O-N 3.07Å; R288-S290 PolarHBondContact O-N 2.85Å; S290-W293 WeakPolarHBondContact O-CB 3.45Å; S290-L319 WeakPolarHBondContact O-CD1 3.45Å |
| 291 | V | 73.9 | Confident | 75.9 | Confident | 33 Ų | 33 | 48.7 Ų | 48.7 | 20% | 0.2 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -71.9 | -37.9 | 174.8 | 171.9 | 0 | 0 | 0 | 0 | 111.7 | I287 R288 W293 F322 | I287-V291 HydrophobicContact CG2-CG2 4.49Å; I287-V291 WeakPolarHBondContact O-CG2 3.42Å; I287-V291 PolarHBondContact O-N 3.12Å; R288-V291 PolarHBondContact O-N 2.86Å; R288-V291 VanDerWaalsContact O-N 3.08Å; V291-W293 VanDerWaalsContact C-N 3.29Å; V291-W293 PolarHBondContact O-N 2.93Å; V291-F322 HydrophobicContact CG2-CB 4.16Å; V291-F322 HydrophobicContact CG2-CD1 4.36Å |
| 292 | D | 76.2 | Confident | 74.8 | Confident | 97 Ų | 97 | 53.7 Ų | 53.7 | 52% | 0.519 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -74 | -20.5 | 179.6 | -72.3 | -30.5 | 0 | 0 | 0 | 113.5 | R288 | R288-D292 PolarHBondContact O-N 3.01Å |
| 293 | W | 80.7 | Confident | 73.6 | Confident | 14 Ų | 14 | 64 Ų | 64 | 5% | 0.053 | 32% | 0.317 | C | S | . | . | trans | -58.1 | 135.5 | 179.5 | 177 | 79.9 | 0 | 0 | 0 | 112.5 | R130 M131 W289 S290 V291 F295 | R130-W293 HydrophobicContact CB-CE3 4.29Å; R130-W293 HydrophobicContact CB-CH2 4.32Å; R130-W293 HydrophobicContact CB-CZ3 3.98Å; R130-W293 HydrophobicContact CG-CE3 4.11Å; R130-W293 HydrophobicContact CG-CZ3 4.3Å; M131-W293 HydrophobicContact CE-CH2 3.99Å; M131-W293 HydrophobicContact CE-CZ2 4Å; W289-W293 PolarHBondContact O-N 2.68Å; S290-W293 WeakPolarHBondContact O-CB 3.45Å; V291-W293 VanDerWaalsContact C-N 3.29Å; V291-W293 PolarHBondContact O-N 2.93Å; W293-F295 HydrophobicContact CH2-CB 4.09Å; W293-F295 AromaticContact CH2-CD2 3.69Å; W293-F295 HydrophobicContact CH2-CD2 3.69Å; W293-F295 HydrophobicContact CH2-CG 4.36Å; W293-F295 HydrophobicContact CZ2-CD2 4.06Å; W293-F295 HydrophobicContact CZ3-CB 4.46Å | ||
| 294 | T | 77.6 | Confident | 72.6 | Confident | 22 Ų | 22 | 66.9 Ų | 66.9 | 14% | 0.135 | 33% | 0.332 | C | S | . | . | trans | -109.1 | 151.8 | 169 | 62.6 | 0 | 0 | 0 | 0 | 110.9 | Q296 D297 K318 | T294-Q296 PolarHBondContact O-N 3.15Å; T294-D297 PolarHBondContact N-OD2 3.1Å; T294-D297 WeakPolarHBondContact O-CB 3.14Å; T294-D297 PolarHBondContact O-N 3.43Å; T294-D297 VanDerWaalsContact OG1-CG 3.25Å; T294-D297 PolarHBondContact OG1-OD2 2.87Å; T294-K318 HydrophobicContact CG2-CD 4.14Å; T294-K318 HydrophobicContact CG2-CG 3.8Å | ||
| 295 | F | 73.4 | Confident | 71.9 | Confident | 5 Ų | 5 | 76.6 Ų | 76.6 | 2% | 0.022 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -58.2 | -34.4 | 179 | -174.5 | -137.6 | 0 | 0 | 0 | 112.3 | L108 M131 L134 W293 D297 S298 F301 L310 V314 L315 F317 | L108-F295 HydrophobicContact CD1-CE1 3.98Å; L108-F295 HydrophobicContact CD1-CZ 3.51Å; L108-F295 HydrophobicContact CD2-CD1 4.43Å; L108-F295 HydrophobicContact CD2-CE1 3.43Å; L108-F295 VanDerWaalsContact CD2-CE1 3.43Å; L108-F295 HydrophobicContact CD2-CZ 3.89Å; L108-F295 HydrophobicContact CG-CE1 4.35Å; L108-F295 HydrophobicContact CG-CZ 4.34Å; M131-F295 HydrophobicContact CE-CD2 4.4Å; M131-F295 HydrophobicContact CE-CE2 4.13Å; M131-F295 HydrophobicContact SD-CE2 4.19Å; L134-F295 HydrophobicContact CD1-CD1 4.32Å; L134-F295 HydrophobicContact CD1-CG 4.38Å; L134-F295 HydrophobicContact CD2-CD1 3.93Å; L134-F295 HydrophobicContact CD2-CD2 3.52Å; L134-F295 HydrophobicContact CD2-CE1 3.79Å; L134-F295 HydrophobicContact CD2-CE2 3.39Å; L134-F295 HydrophobicContact CD2-CG 3.81Å; L134-F295 HydrophobicContact CD2-CZ 3.58Å; W293-F295 HydrophobicContact CH2-CB 4.09Å; W293-F295 AromaticContact CH2-CD2 3.69Å; W293-F295 HydrophobicContact CH2-CD2 3.69Å; W293-F295 HydrophobicContact CH2-CG 4.36Å; W293-F295 HydrophobicContact CZ2-CD2 4.06Å; W293-F295 HydrophobicContact CZ3-CB 4.46Å; F295-D297 PolarHBondContact O-N 3.06Å; F295-S298 PolarHBondContact O-N 3.36Å; F295-S298 VanDerWaalsContact O-N 3.08Å; F295-F301 HydrophobicContact CD1-CE2 4.14Å; F295-F301 AromaticContact CD1-CZ 3.52Å; F295-F301 HydrophobicContact CD1-CZ 3.52Å; F295-F301 HydrophobicContact CD2-CE2 4.25Å; F295-F301 HydrophobicContact CD2-CZ 4.27Å; F295-F301 AromaticContact CE1-CE1 3.81Å; F295-F301 HydrophobicContact CE1-CE1 3.81Å; F295-F301 AromaticContact CE1-CE2 4Å; F295-F301 HydrophobicContact CE1-CE2 4Å; F295-F301 AromaticContact CE1-CZ 3.1Å; F295-F301 HydrophobicContact CE1-CZ 3.1Å; F295-F301 HydrophobicContact CE2-CE2 4.09Å; F295-F301 AromaticContact CE2-CZ 3.92Å; F295-F301 HydrophobicContact CE2-CZ 3.92Å; F295-F301 HydrophobicContact CG-CE2 4.25Å; F295-F301 HydrophobicContact CG-CZ 4.08Å; F295-F301 AromaticContact CZ-CE1 3.92Å; F295-F301 HydrophobicContact CZ-CE1 3.92Å; F295-F301 AromaticContact CZ-CE2 3.93Å; F295-F301 HydrophobicContact CZ-CE2 3.93Å; F295-F301 AromaticContact CZ-CZ 3.29Å; F295-F301 HydrophobicContact CZ-CZ 3.29Å; F295-F301 WeakPolarHBondContact O-CE2 3.19Å; F295-L310 HydrophobicContact CE1-CD1 4.19Å; F295-V314 HydrophobicContact CD1-CG1 4.43Å; F295-L315 PolarHBondContact N-O 3.39Å; F295-F317 PolarHBondContact N-O 3.38Å |
| 296 | Q | 69.7 | Low | 71.5 | Confident | 102 Ų | 102 | 76.5 Ų | 76.5 | 48% | 0.477 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -52.3 | -27.5 | 174.6 | -69.4 | -174.2 | 16.3 | 0 | 0 | 114.8 | T294 S298 L315 N316 | T294-Q296 PolarHBondContact O-N 3.15Å; Q296-S298 PolarHBondContact O-N 3.19Å; Q296-L315 HydrophobicContact CG-CB 3.7Å; Q296-L315 HydrophobicContact CG-CD2 4.29Å; Q296-L315 WeakPolarHBondContact CG-O 3.28Å; Q296-L315 PolarHBondContact N-O 3.07Å; Q296-N316 PolarHBondContact NE2-OD1 3.45Å |
| 297 | D | 69.2 | Low | 71.1 | Confident | 102 Ų | 102 | 74.2 Ų | 74.2 | 55% | 0.545 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -75.9 | -7.4 | -176.8 | -56.1 | -46.3 | 0 | 0 | 0 | 112.9 | T294 F295 | T294-D297 PolarHBondContact N-OD2 3.1Å; T294-D297 WeakPolarHBondContact O-CB 3.14Å; T294-D297 PolarHBondContact O-N 3.43Å; T294-D297 VanDerWaalsContact OG1-CG 3.25Å; T294-D297 PolarHBondContact OG1-OD2 2.87Å; F295-D297 PolarHBondContact O-N 3.06Å |
| 298 | S | 70.8 | Confident | 70.6 | Confident | 10 Ų | 10 | 79 Ų | 79 | 7% | 0.07 | 38% | 0.383 | C | S | . | . | trans | -79.9 | 127.8 | -179.6 | -106.5 | 0 | 0 | 0 | 0 | 112.8 | F295 Q296 I300 F301 | F295-S298 PolarHBondContact O-N 3.36Å; F295-S298 VanDerWaalsContact O-N 3.08Å; Q296-S298 PolarHBondContact O-N 3.19Å; S298-I300 PolarHBondContact O-N 3.41Å; S298-F301 VanDerWaalsContact O-CD2 3.27Å; S298-F301 WeakPolarHBondContact O-CD2 3.43Å | ||
| 299 | P | 65.5 | Low | 70.3 | Confident | 109 Ų | 109 | 79.8 Ų | 79.8 | 71% | 0.708 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -69.3 | -5.2 | -175.2 | 27.3 | -35.2 | 0 | 0 | 0 | 115 | F301 S302 | P299-F301 PolarHBondContact O-N 2.93Å; P299-S302 PolarHBondContact O-OG 3.46Å |
| 300 | I | 65.8 | Low | 70.3 | Confident | 50 Ų | 50 | 73.5 Ų | 73.5 | 26% | 0.256 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -63.8 | -24 | -174.4 | -59.1 | 159.9 | 0 | 0 | 0 | 111.9 | L115 Y119 M131 S298 S302 | L115-I300 HydrophobicContact CD1-CD1 4.06Å; L115-I300 HydrophobicContact CD2-CD1 3.69Å; L115-I300 HydrophobicContact CD2-CG1 4.39Å; L115-I300 HydrophobicContact CD2-CG2 4.19Å; L115-I300 HydrophobicContact CG-CD1 4.44Å; Y119-I300 HydrophobicContact CE2-CD1 4.16Å; Y119-I300 WeakPolarHBondContact OH-CD1 3.45Å; M131-I300 HydrophobicContact CE-CD1 4.36Å; S298-I300 PolarHBondContact O-N 3.41Å; I300-S302 PolarHBondContact O-N 3.32Å |
| 301 | F | 60.4 | Low | 70.5 | Confident | 46 Ų | 46 | 74.5 Ų | 74.5 | 20% | 0.202 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -71.9 | -16.3 | -170 | -75 | -65.1 | 0 | 0 | 0 | 117.6 | F295 S298 P299 R303 Y307 L310 L315 | F295-F301 HydrophobicContact CD1-CE2 4.14Å; F295-F301 AromaticContact CD1-CZ 3.52Å; F295-F301 HydrophobicContact CD1-CZ 3.52Å; F295-F301 HydrophobicContact CD2-CE2 4.25Å; F295-F301 HydrophobicContact CD2-CZ 4.27Å; F295-F301 AromaticContact CE1-CE1 3.81Å; F295-F301 HydrophobicContact CE1-CE1 3.81Å; F295-F301 AromaticContact CE1-CE2 4Å; F295-F301 HydrophobicContact CE1-CE2 4Å; F295-F301 AromaticContact CE1-CZ 3.1Å; F295-F301 HydrophobicContact CE1-CZ 3.1Å; F295-F301 HydrophobicContact CE2-CE2 4.09Å; F295-F301 AromaticContact CE2-CZ 3.92Å; F295-F301 HydrophobicContact CE2-CZ 3.92Å; F295-F301 HydrophobicContact CG-CE2 4.25Å; F295-F301 HydrophobicContact CG-CZ 4.08Å; F295-F301 AromaticContact CZ-CE1 3.92Å; F295-F301 HydrophobicContact CZ-CE1 3.92Å; F295-F301 AromaticContact CZ-CE2 3.93Å; F295-F301 HydrophobicContact CZ-CE2 3.93Å; F295-F301 AromaticContact CZ-CZ 3.29Å; F295-F301 HydrophobicContact CZ-CZ 3.29Å; F295-F301 WeakPolarHBondContact O-CE2 3.19Å; S298-F301 VanDerWaalsContact O-CD2 3.27Å; S298-F301 WeakPolarHBondContact O-CD2 3.43Å; P299-F301 PolarHBondContact O-N 2.93Å; F301-R303 PolarHBondContact O-N 3.23Å; F301-Y307 VanDerWaalsContact CD1-CB 3.5Å; F301-Y307 AromaticContact CD1-CD2 3.88Å; F301-Y307 HydrophobicContact CD1-CD2 3.88Å; F301-Y307 AromaticContact CD1-CG 3.88Å; F301-Y307 HydrophobicContact CD1-CG 3.88Å; F301-Y307 HydrophobicContact CE1-CD2 4.32Å; F301-Y307 AromaticContact CE1-CG 3.99Å; F301-Y307 HydrophobicContact CE1-CG 3.99Å; F301-L310 HydrophobicContact CE1-CD1 3.62Å; F301-L310 HydrophobicContact CZ-CD1 4.18Å; F301-L315 HydrophobicContact CE1-CD2 4.3Å; F301-L315 HydrophobicContact CZ-CD2 3.87Å |
| 302 | S | 55.5 | Low | 70.7 | Confident | 111 Ų | 111 | 82.6 Ų | 82.6 | 78% | 0.776 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -69.4 | -8.6 | -173.1 | 42.4 | 0 | 0 | 0 | 0 | 113.7 | P299 I300 | P299-S302 PolarHBondContact O-OG 3.46Å; I300-S302 PolarHBondContact O-N 3.32Å |
| 303 | R | 58.8 | Low | 70.8 | Confident | 234 Ų | 234 | 82.4 Ų | 82.4 | 88% | 0.883 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -102.8 | -33.3 | -171 | -65.1 | -172.8 | 178.6 | -172.6 | -0.4 | 115.8 | F301 | F301-R303 PolarHBondContact O-N 3.23Š|
| 304 | D | 65.2 | Low | 70.9 | Confident | 64 Ų | 64 | 81.7 Ų | 81.7 | 34% | 0.342 | 39% | 0.392 | S | S | . | . | trans | -114.8 | 120.4 | -167.9 | -139.5 | -21.5 | 0 | 0 | 0 | 113.4 | L306 Y307 | D304-L306 PolarHBondContact O-N 3.45Å; D304-Y307 HydrophobicContact CB-CD2 3.62Å; D304-Y307 HydrophobicContact CB-CE2 3.64Å; D304-Y307 HydrophobicContact CB-CG 4.47Å; D304-Y307 PolarHBondContact O-N 2.94Å | ||
| 305 | R | 66.2 | Low | 71 | Confident | 223 Ų | 223 | 82.2 Ų | 82.2 | 84% | 0.842 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -62.6 | -29.2 | -173 | -71 | -176.4 | 178.3 | -180 | 0.1 | 112.4 | Y307 T308 | R305-Y307 VanDerWaalsContact C-N 3.31Å; R305-Y307 PolarHBondContact O-N 3.49Å; R305-T308 PolarHBondContact O-N 3.24Å; R305-T308 PolarHBondContact O-OG1 3.39Å |
| 306 | L | 71.3 | Confident | 71.3 | Confident | 66 Ų | 66 | 86 Ų | 86 | 35% | 0.346 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -65.4 | -34.1 | -178.3 | -71.9 | 174.2 | 0 | 0 | 0 | 112.4 | L100 S104 K107 D304 T308 R309 | L100-L306 HydrophobicContact CD2-CD2 4.02Å; S104-L306 WeakPolarHBondContact CB-O 3.26Å; K107-L306 HydrophobicContact CG-CD1 4.45Å; D304-L306 PolarHBondContact O-N 3.45Å; L306-T308 PolarHBondContact O-N 2.98Å; L306-R309 WeakPolarHBondContact O-CB 3.46Å; L306-R309 PolarHBondContact O-N 3.43Å |
| 307 | Y | 74.7 | Confident | 71.8 | Confident | 19 Ų | 19 | 82.2 Ų | 82.2 | 8% | 0.075 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -68.2 | -21.1 | -178.7 | -61.2 | -42 | 0 | 0 | 0 | 113.6 | K107 L108 D111 F301 D304 R305 R309 L310 | K107-Y307 HydrophobicContact CG-CE1 4.19Å; L108-Y307 HydrophobicContact CB-CE1 4.05Å; L108-Y307 HydrophobicContact CD1-CE1 4.27Å; D111-Y307 PolarHBondContact OD2-OH 3.13Å; F301-Y307 VanDerWaalsContact CD1-CB 3.5Å; F301-Y307 AromaticContact CD1-CD2 3.88Å; F301-Y307 HydrophobicContact CD1-CD2 3.88Å; F301-Y307 AromaticContact CD1-CG 3.88Å; F301-Y307 HydrophobicContact CD1-CG 3.88Å; F301-Y307 HydrophobicContact CE1-CD2 4.32Å; F301-Y307 AromaticContact CE1-CG 3.99Å; F301-Y307 HydrophobicContact CE1-CG 3.99Å; D304-Y307 HydrophobicContact CB-CD2 3.62Å; D304-Y307 HydrophobicContact CB-CE2 3.64Å; D304-Y307 HydrophobicContact CB-CG 4.47Å; D304-Y307 PolarHBondContact O-N 2.94Å; R305-Y307 VanDerWaalsContact C-N 3.31Å; R305-Y307 PolarHBondContact O-N 3.49Å; Y307-R309 PolarHBondContact O-N 3.43Å; Y307-R309 VanDerWaalsContact O-N 3.09Å; Y307-L310 HydrophobicContact CD1-CD1 3.95Å; Y307-L310 HydrophobicContact CG-CD1 4.26Å; Y307-L310 WeakPolarHBondContact O-CB 3.27Å; Y307-L310 WeakPolarHBondContact O-CD1 3.48Å; Y307-L310 WeakPolarHBondContact O-CG 3.26Å; Y307-L310 PolarHBondContact O-N 2.93Å; Y307-L310 VanDerWaalsContact O-N 3.09Å |
| 308 | T | 72.3 | Confident | 72.2 | Confident | 106 Ų | 106 | 81.8 Ų | 81.8 | 65% | 0.65 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -61.9 | -16.3 | 172.5 | 67.5 | 0 | 0 | 0 | 0 | 113 | R305 L306 | R305-T308 PolarHBondContact O-N 3.24Å; R305-T308 PolarHBondContact O-OG1 3.39Å; L306-T308 PolarHBondContact O-N 2.98Å |
| 309 | R | 74.8 | Confident | 72.3 | Confident | 123 Ų | 123 | 82 Ų | 82 | 46% | 0.464 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -100.8 | 5.9 | 179.4 | -56.2 | -60.7 | -173.1 | 172.1 | 1.4 | 113.5 | S101 L306 Y307 | S101-R309 WeakPolarHBondContact CA-O 3.22Å; S101-R309 WeakPolarHBondContact CB-O 3.43Å; S101-R309 PolarHBondContact OG-O 2.87Å; L306-R309 WeakPolarHBondContact O-CB 3.46Å; L306-R309 PolarHBondContact O-N 3.43Å; Y307-R309 PolarHBondContact O-N 3.43Å; Y307-R309 VanDerWaalsContact O-N 3.09Å |
| 310 | L | 78.8 | Confident | 72 | Confident | 8 Ų | 8 | 85 Ų | 85 | 4% | 0.042 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -60.7 | 139.4 | 174.3 | -78.6 | 162.7 | 0 | 0 | 0 | 110.6 | Q105 L108 F295 F301 Y307 V314 L315 | Q105-L310 HydrophobicContact CG-CD2 3.97Å; L108-L310 HydrophobicContact CB-CD2 4.43Å; L108-L310 HydrophobicContact CD2-CD1 4.09Å; L108-L310 HydrophobicContact CD2-CD2 3.85Å; F295-L310 HydrophobicContact CE1-CD1 4.19Å; F301-L310 HydrophobicContact CE1-CD1 3.62Å; F301-L310 HydrophobicContact CZ-CD1 4.18Å; Y307-L310 HydrophobicContact CD1-CD1 3.95Å; Y307-L310 HydrophobicContact CG-CD1 4.26Å; Y307-L310 WeakPolarHBondContact O-CB 3.27Å; Y307-L310 WeakPolarHBondContact O-CD1 3.48Å; Y307-L310 WeakPolarHBondContact O-CG 3.26Å; Y307-L310 PolarHBondContact O-N 2.93Å; Y307-L310 VanDerWaalsContact O-N 3.09Å; L310-V314 HydrophobicContact CD2-CG1 4.09Å; L310-L315 HydrophobicContact CB-CD1 4.37Å; L310-L315 HydrophobicContact CB-CD2 4.08Å; L310-L315 HydrophobicContact CB-CG 3.96Å; L310-L315 HydrophobicContact CD1-CD2 4.16Å |
| 311 | P | 79.9 | Confident | 71.5 | Confident | 20 Ų | 20 | 90.4 Ų | 90.4 | 13% | 0.13 | 42% | 0.421 | C | S | . | . | trans | -58.2 | 145.5 | 174.6 | -16.6 | 25.6 | 0 | 0 | 0 | 111.5 | S101 Q105 D313 V314 L315 | S101-P311 VanDerWaalsContact OG-CD 3.32Å; S101-P311 WeakPolarHBondContact OG-CD 3.19Å; S101-P311 WeakPolarHBondContact OG-CG 3.3Å; Q105-P311 HydrophobicContact CG-CG 4.13Å; P311-D313 PolarHBondContact O-N 3.5Å; P311-D313 VanDerWaalsContact O-N 3.15Å; P311-V314 HydrophobicContact CB-CG2 4.22Å; P311-V314 HydrophobicContact CG-CG2 4.02Å; P311-V314 PolarHBondContact O-N 3.42Å; P311-L315 PolarHBondContact O-N 3.32Å; P311-L315 VanDerWaalsContact O-N 3.11Å | ||
| 312 | R | 77.3 | Confident | 71.1 | Confident | 204 Ų | 204 | 89.7 Ų | 89.7 | 77% | 0.77 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -55.6 | -34.1 | 178.5 | -71.2 | -175.9 | 179.6 | 172.2 | 0.1 | 112.9 | V314 L315 N316 | R312-V314 VanDerWaalsContact C-N 3.32Å; R312-V314 PolarHBondContact O-N 2.79Å; R312-L315 PolarHBondContact O-N 2.93Å; R312-N316 WeakPolarHBondContact O-CB 3.48Å; R312-N316 PolarHBondContact O-N 2.83Å; R312-N316 PolarHBondContact O-ND2 2.87Å |
| 313 | D | 79.9 | Confident | 71.1 | Confident | 92 Ų | 92 | 93.5 Ų | 93.5 | 49% | 0.492 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.9 | -34.2 | 178.4 | -41.1 | -36.5 | 0 | 0 | 0 | 112.6 | R141 P311 N316 F317 | R141-D313 IonicContact CZ-OD2 3.65Å; R141-D313 IonicContact NH1-OD2 2.96Å; R141-D313 PolarHBondContact NH1-OD2 3.43Å; R141-D313 IonicContact NH2-OD2 3.34Å; R141-D313 PolarHBondContact NH2-OD2 2.94Å; P311-D313 PolarHBondContact O-N 3.5Å; P311-D313 VanDerWaalsContact O-N 3.15Å; D313-N316 CarbonylContact O-C 3.57Å; D313-F317 PolarHBondContact O-N 3.41Å |
| 314 | V | 82.4 | Confident | 70.8 | Confident | 0 Ų | 0 | 83.7 Ų | 83.7 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -72.9 | -42.9 | 177.1 | 178.8 | 0 | 0 | 0 | 0 | 109.7 | Q105 L108 L134 Y137 L138 F295 L310 P311 R312 N316 F317 | Q105-V314 HydrophobicContact CG-CG2 4.29Å; L108-V314 HydrophobicContact CD2-CG1 3.98Å; L134-V314 HydrophobicContact CD1-CG1 4.41Å; Y137-V314 HydrophobicContact CE1-CG2 4.24Å; L138-V314 HydrophobicContact CD2-CG1 3.79Å; L138-V314 HydrophobicContact CD2-CG2 4.02Å; F295-V314 HydrophobicContact CD1-CG1 4.43Å; L310-V314 HydrophobicContact CD2-CG1 4.09Å; P311-V314 HydrophobicContact CB-CG2 4.22Å; P311-V314 HydrophobicContact CG-CG2 4.02Å; P311-V314 PolarHBondContact O-N 3.42Å; R312-V314 VanDerWaalsContact C-N 3.32Å; R312-V314 PolarHBondContact O-N 2.79Å; V314-N316 VanDerWaalsContact C-N 3.29Å; V314-N316 PolarHBondContact O-N 3.25Å; V314-F317 WeakPolarHBondContact O-CB 3.36Å; V314-F317 PolarHBondContact O-N 3.02Å; V314-F317 VanDerWaalsContact O-N 3.16Å |
| 315 | L | 78.3 | Confident | 70.3 | Confident | 32 Ų | 32 | 83.8 Ų | 83.8 | 17% | 0.168 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 174.1 | -70.1 | 172.7 | 0 | 0 | 0 | 111.3 | F295 Q296 F301 L310 P311 R312 F317 | F295-L315 PolarHBondContact N-O 3.39Å; Q296-L315 HydrophobicContact CG-CB 3.7Å; Q296-L315 HydrophobicContact CG-CD2 4.29Å; Q296-L315 WeakPolarHBondContact CG-O 3.28Å; Q296-L315 PolarHBondContact N-O 3.07Å; F301-L315 HydrophobicContact CE1-CD2 4.3Å; F301-L315 HydrophobicContact CZ-CD2 3.87Å; L310-L315 HydrophobicContact CB-CD1 4.37Å; L310-L315 HydrophobicContact CB-CD2 4.08Å; L310-L315 HydrophobicContact CB-CG 3.96Å; L310-L315 HydrophobicContact CD1-CD2 4.16Å; P311-L315 PolarHBondContact O-N 3.32Å; P311-L315 VanDerWaalsContact O-N 3.11Å; R312-L315 PolarHBondContact O-N 2.93Å; L315-F317 PolarHBondContact O-N 2.74Å |
| 316 | N | 80.5 | Confident | 69.8 | Low | 86 Ų | 86 | 75.5 Ų | 75.5 | 46% | 0.46 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 16.6 | 177.9 | -63 | -12.4 | 0 | 0 | 0 | 112.8 | Q296 R312 D313 V314 K318 | Q296-N316 PolarHBondContact NE2-OD1 3.45Å; R312-N316 WeakPolarHBondContact O-CB 3.48Å; R312-N316 PolarHBondContact O-N 2.83Å; R312-N316 PolarHBondContact O-ND2 2.87Å; D313-N316 CarbonylContact O-C 3.57Å; V314-N316 VanDerWaalsContact C-N 3.29Å; V314-N316 PolarHBondContact O-N 3.25Å; N316-K318 PolarHBondContact O-N 3.38Å |
| 317 | F | 80.3 | Confident | 69.2 | Low | 22 Ų | 22 | 76.8 Ų | 76.8 | 10% | 0.096 | 37% | 0.367 | C | S | . | . | trans | -57.6 | 125.9 | 175.4 | 175 | -103 | 0 | 0 | 0 | 108.9 | F133 L134 Y137 F295 D313 V314 L315 | F133-F317 HydrophobicContact CB-CE1 4.36Å; F133-F317 HydrophobicContact CB-CZ 4.23Å; L134-F317 HydrophobicContact CB-CD1 4.22Å; L134-F317 HydrophobicContact CB-CE1 4.18Å; L134-F317 HydrophobicContact CD1-CB 3.96Å; L134-F317 HydrophobicContact CD1-CD1 3.7Å; L134-F317 HydrophobicContact CD1-CE1 4.4Å; L134-F317 HydrophobicContact CD1-CG 3.85Å; Y137-F317 VanDerWaalsContact CB-CE2 3.42Å; Y137-F317 AromaticContact CD1-CD2 3.58Å; Y137-F317 HydrophobicContact CD1-CD2 3.58Å; Y137-F317 HydrophobicContact CD1-CE2 4.09Å; Y137-F317 HydrophobicContact CD1-CG 4.25Å; Y137-F317 AromaticContact CD2-CD2 3.96Å; Y137-F317 HydrophobicContact CD2-CD2 3.96Å; Y137-F317 AromaticContact CD2-CE2 3.91Å; Y137-F317 HydrophobicContact CD2-CE2 3.91Å; Y137-F317 HydrophobicContact CE1-CD2 4.12Å; Y137-F317 HydrophobicContact CE2-CD2 4.46Å; Y137-F317 AromaticContact CG-CD2 3.49Å; Y137-F317 HydrophobicContact CG-CD2 3.49Å; Y137-F317 VanDerWaalsContact CG-CD2 3.49Å; Y137-F317 AromaticContact CG-CE2 3.52Å; Y137-F317 HydrophobicContact CG-CE2 3.52Å; Y137-F317 HydrophobicContact CG-CG 4.5Å; F295-F317 PolarHBondContact N-O 3.38Å; D313-F317 PolarHBondContact O-N 3.41Å; V314-F317 WeakPolarHBondContact O-CB 3.36Å; V314-F317 PolarHBondContact O-N 3.02Å; V314-F317 VanDerWaalsContact O-N 3.16Å; L315-F317 PolarHBondContact O-N 2.74Å | ||
| 318 | K | 78.5 | Confident | 68.2 | Low | 93 Ų | 93 | 76.8 Ų | 76.8 | 40% | 0.404 | 37% | 0.367 | S | S | . | . | trans | -125.3 | 148.9 | 173.2 | -71.6 | -169.2 | 171.2 | -163.6 | 0 | 107.9 | T294 N316 K320 | T294-K318 HydrophobicContact CG2-CD 4.14Å; T294-K318 HydrophobicContact CG2-CG 3.8Å; N316-K318 PolarHBondContact O-N 3.38Å; K318-K320 PolarHBondContact O-N 3.29Å | ||
| 319 | L | 71.9 | Confident | 67.4 | Low | 14 Ų | 14 | 75.5 Ų | 75.5 | 7% | 0.073 | 36% | 0.362 | C | S | . | . | trans | -69.3 | 85.1 | 170 | -72.3 | 157.1 | 0 | 0 | 0 | 108.7 | R130 F133 M200 S290 | R130-L319 HydrophobicContact CG-CD1 3.87Å; F133-L319 HydrophobicContact CB-CD2 3.49Å; F133-L319 VanDerWaalsContact CB-CD2 3.49Å; F133-L319 HydrophobicContact CD1-CD2 4.12Å; F133-L319 HydrophobicContact CD2-CD2 3.43Å; F133-L319 VanDerWaalsContact CD2-CD2 3.43Å; F133-L319 HydrophobicContact CE2-CD2 4.18Å; F133-L319 HydrophobicContact CG-CD2 3.41Å; F133-L319 VanDerWaalsContact CG-CD2 3.41Å; M200-L319 HydrophobicContact CE-CD1 3.33Å; S290-L319 WeakPolarHBondContact O-CD1 3.45Å | ||
| 320 | K | 60.3 | Low | 66.4 | Low | 173 Ų | 173 | 76.6 Ų | 76.6 | 75% | 0.752 | 38% | 0.377 | S | S | * | . | trans | -74.7 | 143.7 | 170.6 | -67.2 | -177.9 | 178.8 | -179.9 | 0 | 108.2 | K318 | K318-K320 PolarHBondContact O-N 3.29Š| ||
| 321 | D | 53.9 | Low | 65.1 | Low | 162 Ų | 162 | 80.8 Ų | 80.8 | 87% | 0.866 | 40% | 0.395 | S | S | * | . | S | Bend | trans | 85.7 | -2.1 | 171.4 | -46.8 | -38.4 | 0 | 0 | 0 | 118.3 | K323 | D321-K323 PolarHBondContact O-N 3.35Š|
| 322 | F | 53.1 | Low | 64 | Low | 31 Ų | 31 | 87.3 Ų | 87.3 | 14% | 0.136 | 42% | 0.422 | C | S | . | . | trans | -81.9 | 86 | 169.3 | -159.8 | -92 | 0 | 0 | 0 | 110.9 | S199 D203 I287 V291 F324 | S199-F322 VanDerWaalsContact O-CE2 3.24Å; S199-F322 WeakPolarHBondContact O-CE2 3.39Å; S199-F322 WeakPolarHBondContact O-CZ 3.3Å; D203-F322 WeakPolarHBondContact OD1-CE2 3.3Å; I287-F322 HydrophobicContact CG2-CD1 3.71Å; I287-F322 HydrophobicContact CG2-CE1 3.51Å; V291-F322 HydrophobicContact CG2-CB 4.16Å; V291-F322 HydrophobicContact CG2-CD1 4.36Å; F322-F324 HydrophobicContact CE1-CB 4.27Å; F322-F324 AromaticContact CE1-CD2 3.73Å; F322-F324 HydrophobicContact CE1-CD2 3.73Å; F322-F324 HydrophobicContact CE1-CG 4.48Å; F322-F324 HydrophobicContact CZ-CD2 4.06Å | ||
| 323 | K | 54.8 | Low | 63 | Low | 192 Ų | 192 | 83.2 Ų | 83.2 | 84% | 0.835 | 41% | 0.411 | S | S | * | . | trans | -90.4 | 108.5 | 162.2 | -69.8 | -175.1 | -178.3 | 179.3 | 0 | 107.1 | D321 S325 | D321-K323 PolarHBondContact O-N 3.35Å; K323-S325 PolarHBondContact O-N 3.33Å | ||
| 324 | F | 53.6 | Low | 61.9 | Low | 27 Ų | 27 | 85.8 Ų | 85.8 | 12% | 0.118 | 43% | 0.425 | C | S | . | . | trans | -55.2 | 112.8 | 165.9 | -154.4 | -123.7 | 0 | 0 | 0 | 106.7 | L204 T206 L283 I287 F322 D326 | L204-F324 WeakPolarHBondContact O-CE2 3.34Å; T206-F324 HydrophobicContact CG2-CD1 3.76Å; T206-F324 HydrophobicContact CG2-CE1 3.26Å; T206-F324 HydrophobicContact CG2-CZ 4.01Å; L283-F324 HydrophobicContact CD2-CE1 4.44Å; L283-F324 HydrophobicContact CD2-CZ 3.91Å; L283-F324 HydrophobicContact CG-CZ 4.49Å; I287-F324 HydrophobicContact CD1-CD1 4.42Å; I287-F324 HydrophobicContact CD1-CD2 3.57Å; I287-F324 HydrophobicContact CD1-CE1 4.21Å; I287-F324 HydrophobicContact CD1-CE2 3.36Å; I287-F324 HydrophobicContact CD1-CG 4.1Å; I287-F324 HydrophobicContact CD1-CZ 3.72Å; F322-F324 HydrophobicContact CE1-CB 4.27Å; F322-F324 AromaticContact CE1-CD2 3.73Å; F322-F324 HydrophobicContact CE1-CD2 3.73Å; F322-F324 HydrophobicContact CE1-CG 4.48Å; F322-F324 HydrophobicContact CZ-CD2 4.06Å; F324-D326 VanDerWaalsContact C-N 3.33Å; F324-D326 PolarHBondContact O-N 2.9Å | ||
| 325 | S | 54.7 | Low | 61 | Low | 67 Ų | 67 | 90.4 Ų | 90.4 | 47% | 0.469 | 45% | 0.446 | S | S | . | . | trans | -67 | 95.1 | -174.3 | 177.1 | 0 | 0 | 0 | 0 | 108.4 | K323 E327 | K323-S325 PolarHBondContact O-N 3.33Å; S325-E327 VanDerWaalsContact C-N 3.28Å; S325-E327 PolarHBondContact O-N 3.16Å | ||
| 326 | D | 55 | Low | 60.5 | Low | 49 Ų | 49 | 90.7 Ų | 90.7 | 26% | 0.262 | 45% | 0.447 | S | S | . | . | trans | -71.9 | 88.4 | 168.2 | -93.2 | -22.3 | 0 | 0 | 0 | 107.6 | K280 F324 F328 S329 | K280-D326 IonicContact NZ-OD2 3.9Å; K280-D326 PolarHBondContact NZ-OD2 3.28Å; F324-D326 VanDerWaalsContact C-N 3.33Å; F324-D326 PolarHBondContact O-N 2.9Å; D326-F328 PolarHBondContact O-N 3.43Å; D326-S329 WeakPolarHBondContact O-CB 3.3Å; D326-S329 PolarHBondContact O-N 2.82Å; D326-S329 PolarHBondContact O-OG 3.35Å | ||
| 327 | E | 58.4 | Low | 59.9 | Low | 93 Ų | 93 | 90.6 Ų | 90.6 | 44% | 0.435 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -17.3 | 169.9 | -67.9 | 176.3 | -168 | 0 | 0 | 112 | L207 S325 | L207-E327 WeakPolarHBondContact CD1-OE2 3.48Å; S325-E327 VanDerWaalsContact C-N 3.28Å; S325-E327 PolarHBondContact O-N 3.16Å |
| 328 | F | 53.3 | Low | 59.6 | Low | 19 Ų | 19 | 92.2 Ų | 92.2 | 8% | 0.083 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -4.9 | 179.6 | -52.2 | -63.5 | 0 | 0 | 0 | 114.5 | D326 N330 F331 Q336 L339 L340 L343 | D326-F328 PolarHBondContact O-N 3.43Å; F328-N330 PolarHBondContact O-N 2.9Å; F328-F331 PolarHBondContact O-N 3.24Å; F328-Q336 HydrophobicContact CB-CG 4.17Å; F328-Q336 WeakPolarHBondContact O-CG 3.48Å; F328-Q336 PolarHBondContact O-NE2 3.42Å; F328-L339 HydrophobicContact CD1-CD2 3.73Å; F328-L339 HydrophobicContact CE1-CD2 3.31Å; F328-L339 HydrophobicContact CZ-CD2 4.37Å; F328-L340 HydrophobicContact CD2-CD1 4.35Å; F328-L340 HydrophobicContact CE2-CD1 4.07Å; F328-L343 HydrophobicContact CE1-CD1 3.67Å; F328-L343 HydrophobicContact CZ-CD1 3.59Å |
| 329 | S | 56.7 | Low | 59.6 | Low | 78 Ų | 78 | 90.7 Ų | 90.7 | 55% | 0.545 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -22.9 | -172.1 | 65.8 | 0 | 0 | 0 | 0 | 114.7 | D326 | D326-S329 WeakPolarHBondContact O-CB 3.3Å; D326-S329 PolarHBondContact O-N 2.82Å; D326-S329 PolarHBondContact O-OG 3.35Å |
| 330 | N | 53 | Low | 59.9 | Low | 147 Ų | 147 | 91.6 Ų | 91.6 | 79% | 0.786 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -6.8 | -175.7 | -63.1 | -11.1 | 0 | 0 | 0 | 114.6 | F328 | F328-N330 PolarHBondContact O-N 2.9Š|
| 331 | F | 51.7 | Low | 60.9 | Low | 95 Ų | 95 | 84.4 Ų | 84.4 | 42% | 0.417 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -100.5 | 155 | -178 | -68 | -84.4 | 0 | 0 | 0 | 112.3 | F328 E335 Q336 | F328-F331 PolarHBondContact O-N 3.24Å; F331-E335 HydrophobicContact CB-CB 4.28Å; F331-Q336 HydrophobicContact CB-CG 3.57Å; F331-Q336 WeakPolarHBondContact O-CG 3.4Å; F331-Q336 PolarHBondContact O-NE2 3.16Å |
| 332 | K | 57.1 | Low | 62.3 | Low | 158 Ų | 158 | 80.6 Ų | 80.6 | 69% | 0.687 | 40% | 0.404 | S | S | * | . | trans | -66.6 | 151.5 | 172.8 | -68 | 179.1 | -179.2 | 174.9 | 0 | 110.3 | D334 E335 Q336 | K332-D334 VanDerWaalsContact C-N 3.32Å; K332-D334 PolarHBondContact O-N 2.98Å; K332-D334 VanDerWaalsContact O-N 3.16Å; K332-E335 HydrophobicContact CB-CG 4.47Å; K332-E335 CarbonylContact O-C 3.58Å; K332-E335 WeakPolarHBondContact O-CA 3.35Å; K332-E335 WeakPolarHBondContact O-CB 3.1Å; K332-E335 PolarHBondContact O-N 3.48Å; K332-Q336 WeakPolarHBondContact O-CG 3.23Å; K332-Q336 PolarHBondContact O-N 2.95Å | ||
| 333 | H | 56.6 | Low | 63.8 | Low | 118 Ų | 118 | 81.9 Ų | 81.9 | 55% | 0.546 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -51.3 | -42.4 | -174 | -77.7 | -50.2 | 0 | 0 | 0 | 114.8 | Q336 Y337 | H333-Q336 PolarHBondContact ND1-OE1 3.43Å; H333-Q336 PolarHBondContact O-N 2.94Å; H333-Y337 PolarHBondContact O-N 2.89Å; H333-Y337 VanDerWaalsContact O-N 3.09Å |
| 334 | D | 55.9 | Low | 65.3 | Low | 145 Ų | 145 | 73 Ų | 73 | 78% | 0.775 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -70.1 | -35.4 | 178 | -66 | -24 | 0 | 0 | 0 | 112.7 | K332 S338 | K332-D334 VanDerWaalsContact C-N 3.32Å; K332-D334 PolarHBondContact O-N 2.98Å; K332-D334 VanDerWaalsContact O-N 3.16Å; D334-S338 WeakPolarHBondContact O-CB 3.46Å; D334-S338 PolarHBondContact O-N 3.04Å; D334-S338 VanDerWaalsContact O-N 3.12Å; D334-S338 PolarHBondContact O-OG 3.26Å |
| 335 | E | 63.4 | Low | 66.9 | Low | 97 Ų | 97 | 76.4 Ų | 76.4 | 45% | 0.453 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -70.7 | -39 | 175.4 | -68.2 | 175.4 | 178.6 | 0 | 0 | 111.2 | F331 K332 S338 L339 | F331-E335 HydrophobicContact CB-CB 4.28Å; K332-E335 HydrophobicContact CB-CG 4.47Å; K332-E335 CarbonylContact O-C 3.58Å; K332-E335 WeakPolarHBondContact O-CA 3.35Å; K332-E335 WeakPolarHBondContact O-CB 3.1Å; K332-E335 PolarHBondContact O-N 3.48Å; E335-S338 WeakPolarHBondContact CA-OG 3.32Å; E335-S338 PolarHBondContact O-OG 3Å; E335-S338 VanDerWaalsContact O-OG 3.08Å; E335-L339 WeakPolarHBondContact O-CB 3.33Å; E335-L339 PolarHBondContact O-N 3.4Å |
| 336 | Q | 67.1 | Low | 68.5 | Low | 38 Ų | 38 | 80.6 Ų | 80.6 | 18% | 0.178 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.5 | -49.2 | 174.3 | -71.2 | 175.5 | -21.4 | 0 | 0 | 111 | F328 F331 K332 H333 L339 L340 | F328-Q336 HydrophobicContact CB-CG 4.17Å; F328-Q336 WeakPolarHBondContact O-CG 3.48Å; F328-Q336 PolarHBondContact O-NE2 3.42Å; F331-Q336 HydrophobicContact CB-CG 3.57Å; F331-Q336 WeakPolarHBondContact O-CG 3.4Å; F331-Q336 PolarHBondContact O-NE2 3.16Å; K332-Q336 WeakPolarHBondContact O-CG 3.23Å; K332-Q336 PolarHBondContact O-N 2.95Å; H333-Q336 PolarHBondContact ND1-OE1 3.43Å; H333-Q336 PolarHBondContact O-N 2.94Å; Q336-L339 PolarHBondContact O-N 2.92Å; Q336-L340 VanDerWaalsContact O-CB 3.24Å; Q336-L340 WeakPolarHBondContact O-CB 3.37Å; Q336-L340 PolarHBondContact O-N 2.63Å |
| 337 | Y | 68.4 | Low | 70.1 | Confident | 84 Ų | 84 | 79.6 Ų | 79.6 | 33% | 0.329 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.7 | -45.3 | -177 | -172.3 | -113.8 | 0 | 0 | 0 | 111.9 | L269 C279 H333 L340 I341 | L269-Y337 HydrophobicContact CD2-CE2 4.06Å; C279-Y337 HydrophobicContact CB-CD2 3.78Å; H333-Y337 PolarHBondContact O-N 2.89Å; H333-Y337 VanDerWaalsContact O-N 3.09Å; Y337-L340 PolarHBondContact O-N 2.97Å; Y337-I341 HydrophobicContact CD1-CD1 3.61Å; Y337-I341 HydrophobicContact CD2-CD1 4.42Å; Y337-I341 HydrophobicContact CE1-CD1 3.23Å; Y337-I341 HydrophobicContact CE1-CG1 4.4Å; Y337-I341 HydrophobicContact CE2-CD1 4.12Å; Y337-I341 HydrophobicContact CG-CD1 4.2Å; Y337-I341 WeakPolarHBondContact O-CG1 3.25Å; Y337-I341 PolarHBondContact O-N 3.31Å |
| 338 | S | 74.4 | Confident | 71.7 | Confident | 57 Ų | 57 | 75.2 Ų | 75.2 | 40% | 0.399 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.9 | -40 | 178 | 56.4 | 0 | 0 | 0 | 0 | 112.7 | D334 E335 N342 | D334-S338 WeakPolarHBondContact O-CB 3.46Å; D334-S338 PolarHBondContact O-N 3.04Å; D334-S338 VanDerWaalsContact O-N 3.12Å; D334-S338 PolarHBondContact O-OG 3.26Å; E335-S338 WeakPolarHBondContact CA-OG 3.32Å; E335-S338 PolarHBondContact O-OG 3Å; E335-S338 VanDerWaalsContact O-OG 3.08Å; S338-N342 WeakPolarHBondContact O-CB 3.45Å; S338-N342 VanDerWaalsContact O-CG 3.22Å; S338-N342 PolarHBondContact O-N 3.5Å; S338-N342 PolarHBondContact O-ND2 3.35Å; S338-N342 VanDerWaalsContact O-ND2 3.16Å |
| 339 | L | 78.2 | Confident | 73.5 | Confident | 61 Ų | 61 | 77.3 Ų | 77.3 | 32% | 0.319 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.6 | -40.9 | 177 | -167.7 | 146.5 | 0 | 0 | 0 | 111.5 | F328 E335 Q336 N342 L343 | F328-L339 HydrophobicContact CD1-CD2 3.73Å; F328-L339 HydrophobicContact CE1-CD2 3.31Å; F328-L339 HydrophobicContact CZ-CD2 4.37Å; E335-L339 WeakPolarHBondContact O-CB 3.33Å; E335-L339 PolarHBondContact O-N 3.4Å; Q336-L339 PolarHBondContact O-N 2.92Å; L339-N342 PolarHBondContact O-N 3.44Å; L339-L343 HydrophobicContact CD2-CD1 3.57Å; L339-L343 HydrophobicContact CD2-CG 4.18Å; L339-L343 WeakPolarHBondContact O-CG 3.36Å; L339-L343 PolarHBondContact O-N 2.99Å |
| 340 | L | 78.8 | Confident | 75.1 | Confident | 32 Ų | 32 | 76.3 Ų | 76.3 | 17% | 0.168 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63 | -45.6 | 175 | -175.7 | 130.9 | 0 | 0 | 0 | 111.8 | L269 F328 Q336 Y337 N342 L343 L344 | L269-L340 HydrophobicContact CD2-CD2 3.71Å; F328-L340 HydrophobicContact CD2-CD1 4.35Å; F328-L340 HydrophobicContact CE2-CD1 4.07Å; Q336-L340 VanDerWaalsContact O-CB 3.24Å; Q336-L340 WeakPolarHBondContact O-CB 3.37Å; Q336-L340 PolarHBondContact O-N 2.63Å; Y337-L340 PolarHBondContact O-N 2.97Å; L340-N342 VanDerWaalsContact C-N 3.3Å; L340-N342 PolarHBondContact O-N 3Å; L340-L343 PolarHBondContact O-N 3.31Å; L340-L344 HydrophobicContact CD2-CD1 3.62Å; L340-L344 HydrophobicContact CD2-CG 4.36Å; L340-L344 HydrophobicContact CG-CD1 4.31Å; L340-L344 WeakPolarHBondContact O-CB 3.48Å; L340-L344 VanDerWaalsContact O-CG 3.31Å; L340-L344 WeakPolarHBondContact O-CG 3.31Å; L340-L344 PolarHBondContact O-N 2.9Å |
| 341 | I | 80.9 | Confident | 77 | Confident | 23 Ų | 23 | 70 Ų | 70 | 12% | 0.118 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.1 | -42.5 | 174 | -71.4 | 165.9 | 0 | 0 | 0 | 111.1 | L269 Y337 L343 L344 R345 P406 | L269-I341 HydrophobicContact CD2-CG1 4Å; Y337-I341 HydrophobicContact CD1-CD1 3.61Å; Y337-I341 HydrophobicContact CD2-CD1 4.42Å; Y337-I341 HydrophobicContact CE1-CD1 3.23Å; Y337-I341 HydrophobicContact CE1-CG1 4.4Å; Y337-I341 HydrophobicContact CE2-CD1 4.12Å; Y337-I341 HydrophobicContact CG-CD1 4.2Å; Y337-I341 WeakPolarHBondContact O-CG1 3.25Å; Y337-I341 PolarHBondContact O-N 3.31Å; I341-L343 PolarHBondContact O-N 3.23Å; I341-L344 PolarHBondContact O-N 3.02Å; I341-R345 VanDerWaalsContact O-CB 3.28Å; I341-R345 WeakPolarHBondContact O-CB 3.39Å; I341-R345 PolarHBondContact O-N 3.32Å; I341-P406 HydrophobicContact CG2-CB 4.23Å |
| 342 | N | 82.9 | Confident | 78.9 | Confident | 81 Ų | 81 | 68.2 Ų | 68.2 | 43% | 0.433 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.5 | -38.4 | 179.2 | -74.8 | -29.1 | 0 | 0 | 0 | 112.4 | S338 L339 L340 K346 | S338-N342 WeakPolarHBondContact O-CB 3.45Å; S338-N342 VanDerWaalsContact O-CG 3.22Å; S338-N342 PolarHBondContact O-N 3.5Å; S338-N342 PolarHBondContact O-ND2 3.35Å; S338-N342 VanDerWaalsContact O-ND2 3.16Å; L339-N342 PolarHBondContact O-N 3.44Å; L340-N342 VanDerWaalsContact C-N 3.3Å; L340-N342 PolarHBondContact O-N 3Å; N342-K346 WeakPolarHBondContact O-CG 3.22Å; N342-K346 PolarHBondContact O-N 2.92Å |
| 343 | L | 84.8 | Confident | 80.5 | Confident | 58 Ų | 58 | 63.3 Ų | 63.3 | 30% | 0.304 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.6 | -46.4 | 174.2 | -73.8 | 173.4 | 0 | 0 | 0 | 111.7 | L207 F328 L339 L340 I341 R345 K346 A347 | L207-L343 HydrophobicContact CD2-CD1 4.32Å; F328-L343 HydrophobicContact CE1-CD1 3.67Å; F328-L343 HydrophobicContact CZ-CD1 3.59Å; L339-L343 HydrophobicContact CD2-CD1 3.57Å; L339-L343 HydrophobicContact CD2-CG 4.18Å; L339-L343 WeakPolarHBondContact O-CG 3.36Å; L339-L343 PolarHBondContact O-N 2.99Å; L340-L343 PolarHBondContact O-N 3.31Å; I341-L343 PolarHBondContact O-N 3.23Å; L343-R345 VanDerWaalsContact C-N 3.31Å; L343-R345 PolarHBondContact O-N 2.93Å; L343-K346 PolarHBondContact O-N 3.27Å; L343-A347 WeakPolarHBondContact O-CB 3.31Å; L343-A347 PolarHBondContact O-N 2.91Å |
| 344 | L | 86.7 | Confident | 82 | Confident | 6 Ų | 6 | 60.9 Ų | 60.9 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 176.2 | -72.1 | 177.1 | 0 | 0 | 0 | 111.6 | L210 L264 F268 L269 L340 I341 A347 W348 I407 | L210-L344 HydrophobicContact CD1-CD2 3.68Å; L210-L344 HydrophobicContact CD2-CD2 3.98Å; L210-L344 HydrophobicContact CG-CD2 4.5Å; L264-L344 HydrophobicContact CD1-CD2 4.36Å; L264-L344 HydrophobicContact CD2-CB 4.38Å; L264-L344 HydrophobicContact CD2-CD2 4.39Å; L264-L344 HydrophobicContact CG-CD2 4.31Å; F268-L344 HydrophobicContact CB-CD1 3.86Å; F268-L344 HydrophobicContact CB-CD2 4Å; F268-L344 HydrophobicContact CD2-CD2 4.21Å; F268-L344 HydrophobicContact CG-CD2 4.06Å; L269-L344 HydrophobicContact CD1-CD1 4.49Å; L269-L344 HydrophobicContact CD2-CD1 3.85Å; L269-L344 HydrophobicContact CG-CD1 3.98Å; L340-L344 HydrophobicContact CD2-CD1 3.62Å; L340-L344 HydrophobicContact CD2-CG 4.36Å; L340-L344 HydrophobicContact CG-CD1 4.31Å; L340-L344 WeakPolarHBondContact O-CB 3.48Å; L340-L344 VanDerWaalsContact O-CG 3.31Å; L340-L344 WeakPolarHBondContact O-CG 3.31Å; L340-L344 PolarHBondContact O-N 2.9Å; I341-L344 PolarHBondContact O-N 3.02Å; L344-A347 PolarHBondContact O-N 3.33Å; L344-W348 WeakPolarHBondContact O-CB 3.46Å; L344-W348 PolarHBondContact O-N 3.17Å; L344-I407 HydrophobicContact CB-CD1 4.46Å |
| 345 | R | 86.8 | Confident | 83.7 | Confident | 99 Ų | 99 | 54.1 Ų | 54.1 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 176.6 | -173.3 | 178.6 | -67.3 | 152.2 | -2.6 | 111.6 | I341 L343 W348 D349 P406 | I341-R345 VanDerWaalsContact O-CB 3.28Å; I341-R345 WeakPolarHBondContact O-CB 3.39Å; I341-R345 PolarHBondContact O-N 3.32Å; L343-R345 VanDerWaalsContact C-N 3.31Å; L343-R345 PolarHBondContact O-N 2.93Å; R345-W348 PolarHBondContact O-N 3.1Å; R345-D349 WeakPolarHBondContact O-CB 3.35Å; R345-D349 PolarHBondContact O-N 2.88Å; R345-P406 PolarHBondContact NH2-O 3.12Å |
| 346 | K | 88.6 | Confident | 85.1 | Confident | 154 Ų | 154 | 50.3 Ų | 50.3 | 67% | 0.67 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -60.9 | -46 | 176.4 | -76.1 | 177.8 | 179.7 | -177.4 | 0 | 112.4 | N342 L343 D349 A350 | N342-K346 WeakPolarHBondContact O-CG 3.22Å; N342-K346 PolarHBondContact O-N 2.92Å; L343-K346 PolarHBondContact O-N 3.27Å; K346-D349 PolarHBondContact O-N 3.25Å; K346-A350 PolarHBondContact O-N 3.38Å |
| 347 | A | 89.2 | Confident | 86.2 | Confident | 29 Ų | 29 | 55 Ų | 55 | 24% | 0.24 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.4 | -41.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L210 F214 L343 L344 W351 | L210-A347 HydrophobicContact CD2-CB 3.9Å; F214-A347 HydrophobicContact CD2-CB 4.32Å; F214-A347 HydrophobicContact CE2-CB 3.59Å; F214-A347 HydrophobicContact CZ-CB 4.3Å; L343-A347 WeakPolarHBondContact O-CB 3.31Å; L343-A347 PolarHBondContact O-N 2.91Å; L344-A347 PolarHBondContact O-N 3.33Å; A347-W351 WeakPolarHBondContact O-CB 3.24Å; A347-W351 PolarHBondContact O-N 2.96Å |
| 348 | W | 91.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.4 | -48.5 | 172.2 | 169.2 | -101.7 | 0 | 0 | 0 | 112.1 | F214 T260 L261 L344 R345 A350 W351 R352 I407 F409 | F214-W348 HydrophobicContact CE1-CE3 4.2Å; F214-W348 HydrophobicContact CZ-CB 4.37Å; T260-W348 HydrophobicContact CG2-CZ3 4.17Å; L261-W348 HydrophobicContact CB-CH2 3.71Å; L261-W348 HydrophobicContact CB-CZ2 4.22Å; L261-W348 HydrophobicContact CB-CZ3 3.91Å; L261-W348 HydrophobicContact CD1-CD2 3.98Å; L261-W348 HydrophobicContact CD1-CE3 4.11Å; L261-W348 HydrophobicContact CD1-CH2 4.26Å; L261-W348 HydrophobicContact CD1-CZ2 4.13Å; L261-W348 HydrophobicContact CD1-CZ3 4.24Å; L261-W348 HydrophobicContact CD2-CZ2 4.25Å; L261-W348 HydrophobicContact CG-CH2 4.4Å; L261-W348 HydrophobicContact CG-CZ2 4.44Å; L344-W348 WeakPolarHBondContact O-CB 3.46Å; L344-W348 PolarHBondContact O-N 3.17Å; R345-W348 PolarHBondContact O-N 3.1Å; W348-A350 VanDerWaalsContact C-N 3.33Å; W348-A350 PolarHBondContact O-N 2.94Å; W348-W351 HydrophobicContact CE3-CE3 4.08Å; W348-W351 HydrophobicContact CE3-CZ3 4.46Å; W348-W351 HydrophobicContact CH2-CE3 4.24Å; W348-W351 AromaticContact CH2-CZ3 3.91Å; W348-W351 HydrophobicContact CH2-CZ3 3.91Å; W348-W351 AromaticContact CZ3-CE3 3.68Å; W348-W351 HydrophobicContact CZ3-CE3 3.68Å; W348-W351 AromaticContact CZ3-CZ3 3.62Å; W348-W351 HydrophobicContact CZ3-CZ3 3.62Å; W348-W351 PolarHBondContact O-N 3.44Å; W348-R352 HydrophobicContact CD2-CB 4.5Å; W348-R352 HydrophobicContact CZ2-CB 4.32Å; W348-R352 HydrophobicContact CZ2-CG 4.49Å; W348-R352 WeakPolarHBondContact O-CB 2.98Å; W348-R352 PolarHBondContact O-N 2.95Å; W348-I407 HydrophobicContact CB-CD1 4.45Å; W348-I407 HydrophobicContact CD2-CG2 4.44Å; W348-I407 HydrophobicContact CG-CG2 3.92Å; W348-F409 HydrophobicContact CH2-CD1 4.02Å; W348-F409 HydrophobicContact CH2-CE1 4.1Å; W348-F409 HydrophobicContact CZ2-CB 4.06Å; W348-F409 AromaticContact CZ2-CD1 3.6Å; W348-F409 HydrophobicContact CZ2-CD1 3.6Å; W348-F409 HydrophobicContact CZ2-CD2 4.12Å; W348-F409 AromaticContact CZ2-CE1 3.94Å; W348-F409 HydrophobicContact CZ2-CE1 3.94Å; W348-F409 HydrophobicContact CZ2-CE2 4.47Å; W348-F409 AromaticContact CZ2-CG 3.68Å; W348-F409 HydrophobicContact CZ2-CG 3.68Å; W348-F409 HydrophobicContact CZ2-CZ 4.39Å |
| 349 | D | 90.5 | Very high | 88 | Confident | 63 Ų | 63 | 48.7 Ų | 48.7 | 34% | 0.337 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.3 | -39.7 | -177.8 | -74.3 | -31.2 | 0 | 0 | 0 | 111.7 | R345 K346 R352 A353 | R345-D349 WeakPolarHBondContact O-CB 3.35Å; R345-D349 PolarHBondContact O-N 2.88Å; K346-D349 PolarHBondContact O-N 3.25Å; D349-R352 IonicContact OD1-NH1 3.48Å; D349-R352 PolarHBondContact OD1-NH1 3.12Å; D349-R352 VanDerWaalsContact OD1-NH1 3.14Å; D349-A353 VanDerWaalsContact O-CB 3.32Å; D349-A353 WeakPolarHBondContact O-CB 3.46Å; D349-A353 PolarHBondContact O-N 2.9Å |
| 350 | A | 90.8 | Very high | 88.6 | Confident | 58 Ų | 58 | 50.7 Ų | 50.7 | 48% | 0.479 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.9 | -50 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K346 W348 R352 A353 D354 | K346-A350 PolarHBondContact O-N 3.38Å; W348-A350 VanDerWaalsContact C-N 3.33Å; W348-A350 PolarHBondContact O-N 2.94Å; A350-R352 VanDerWaalsContact C-N 3.34Å; A350-R352 PolarHBondContact O-N 3.48Å; A350-A353 PolarHBondContact O-N 2.8Å; A350-D354 PolarHBondContact O-N 2.84Å |
| 351 | W | 93 | Very high | 89 | Confident | 13 Ų | 13 | 53.9 Ų | 53.9 | 5% | 0.049 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 178.5 | -177.8 | 90.4 | 0 | 0 | 0 | 112.5 | F214 R217 L221 M257 T260 A347 W348 A355 | F214-W351 HydrophobicContact CD1-CB 3.7Å; F214-W351 AromaticContact CD1-CD1 3.43Å; F214-W351 VanDerWaalsContact CD1-CD1 3.43Å; F214-W351 AromaticContact CD1-CD2 3.88Å; F214-W351 HydrophobicContact CD1-CD2 3.88Å; F214-W351 AromaticContact CD1-CG 3.37Å; F214-W351 HydrophobicContact CD1-CG 3.37Å; F214-W351 AromaticContact CD1-NE1 3.91Å; F214-W351 HydrophobicContact CE1-CB 3.77Å; F214-W351 HydrophobicContact CE1-CD2 4.09Å; F214-W351 HydrophobicContact CE1-CE3 4.47Å; F214-W351 AromaticContact CE1-CG 3.76Å; F214-W351 HydrophobicContact CE1-CG 3.76Å; F214-W351 HydrophobicContact CG-CB 4.31Å; F214-W351 AromaticContact CG-CD1 3.97Å; F214-W351 HydrophobicContact CG-CG 4.19Å; F214-W351 HydrophobicContact CZ-CB 4.42Å; F214-W351 PolarHBondContact O-NE1 2.66Å; R217-W351 HydrophobicContact CB-CZ2 4.05Å; L221-W351 HydrophobicContact CD2-CZ2 4.42Å; M257-W351 HydrophobicContact CE-CZ3 4.27Å; M257-W351 HydrophobicContact CG-CH2 4.28Å; T260-W351 HydrophobicContact CG2-CE3 4.38Å; T260-W351 HydrophobicContact CG2-CH2 3.77Å; T260-W351 HydrophobicContact CG2-CZ2 3.95Å; T260-W351 HydrophobicContact CG2-CZ3 4Å; A347-W351 WeakPolarHBondContact O-CB 3.24Å; A347-W351 PolarHBondContact O-N 2.96Å; W348-W351 HydrophobicContact CE3-CE3 4.08Å; W348-W351 HydrophobicContact CE3-CZ3 4.46Å; W348-W351 HydrophobicContact CH2-CE3 4.24Å; W348-W351 AromaticContact CH2-CZ3 3.91Å; W348-W351 HydrophobicContact CH2-CZ3 3.91Å; W348-W351 AromaticContact CZ3-CE3 3.68Å; W348-W351 HydrophobicContact CZ3-CE3 3.68Å; W348-W351 AromaticContact CZ3-CZ3 3.62Å; W348-W351 HydrophobicContact CZ3-CZ3 3.62Å; W348-W351 PolarHBondContact O-N 3.44Å; W351-A355 HydrophobicContact CE3-CB 4.27Å; W351-A355 HydrophobicContact CH2-CB 4.26Å; W351-A355 HydrophobicContact CZ3-CB 4.14Å; W351-A355 WeakPolarHBondContact O-CB 3.45Å; W351-A355 PolarHBondContact O-N 2.93Å |
| 352 | R | 90.8 | Very high | 89.3 | Confident | 58 Ų | 58 | 53.2 Ų | 53.2 | 22% | 0.219 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64 | -45.2 | 178.2 | 168.4 | 179.7 | 157.9 | -141.8 | 2.9 | 111.3 | W348 D349 A350 A355 I356 F409 E414 | W348-R352 HydrophobicContact CD2-CB 4.5Å; W348-R352 HydrophobicContact CZ2-CB 4.32Å; W348-R352 HydrophobicContact CZ2-CG 4.49Å; W348-R352 WeakPolarHBondContact O-CB 2.98Å; W348-R352 PolarHBondContact O-N 2.95Å; D349-R352 IonicContact OD1-NH1 3.48Å; D349-R352 PolarHBondContact OD1-NH1 3.12Å; D349-R352 VanDerWaalsContact OD1-NH1 3.14Å; A350-R352 VanDerWaalsContact C-N 3.34Å; A350-R352 PolarHBondContact O-N 3.48Å; R352-A355 PolarHBondContact O-N 3.47Å; R352-I356 HydrophobicContact CG-CD1 3.62Å; R352-I356 HydrophobicContact CG-CG1 4.32Å; R352-I356 WeakPolarHBondContact O-CB 3.47Å; R352-I356 VanDerWaalsContact O-CG1 3.22Å; R352-I356 WeakPolarHBondContact O-CG1 3.38Å; R352-I356 PolarHBondContact O-N 3.32Å; R352-F409 HydrophobicContact CG-CE2 4.06Å; R352-E414 IonicContact CZ-OE1 3.03Å; R352-E414 IonicContact CZ-OE2 3.84Å; R352-E414 IonicContact NE-OE1 2.68Å; R352-E414 IonicContact NE-OE2 2.87Å; R352-E414 PolarHBondContact NE-OE2 3.36Å; R352-E414 IonicContact NH2-OE1 2.61Å; R352-E414 PolarHBondContact NH2-OE1 3.49Å; R352-E414 IonicContact NH2-OE2 3.5Å; R352-E414 PolarHBondContact NH2-OE2 2.76Å |
| 353 | A | 91.1 | Very high | 89.6 | Confident | 55 Ų | 55 | 49.5 Ų | 49.5 | 46% | 0.455 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.7 | -49.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | D349 A350 A355 I356 Q357 | D349-A353 VanDerWaalsContact O-CB 3.32Å; D349-A353 WeakPolarHBondContact O-CB 3.46Å; D349-A353 PolarHBondContact O-N 2.9Å; A350-A353 PolarHBondContact O-N 2.8Å; A353-A355 PolarHBondContact O-N 3.2Å; A353-I356 PolarHBondContact O-N 2.71Å; A353-Q357 WeakPolarHBondContact O-CB 3.31Å; A353-Q357 PolarHBondContact O-N 2.65Å |
| 354 | D | 89.2 | Confident | 89.8 | Confident | 67 Ų | 67 | 49 Ų | 49 | 36% | 0.358 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.6 | -47.5 | 174.8 | -80.4 | 8.4 | 0 | 0 | 0 | 111.8 | K218 A350 Q357 I358 | K218-D354 IonicContact NZ-OD2 3.82Å; K218-D354 PolarHBondContact NZ-OD2 2.96Å; A350-D354 PolarHBondContact O-N 2.84Å; D354-Q357 PolarHBondContact O-N 3.08Å; D354-I358 WeakPolarHBondContact O-CG2 3.43Å; D354-I358 PolarHBondContact O-N 3.37Å; D354-I358 VanDerWaalsContact O-N 3.1Å |
| 355 | A | 91.2 | Very high | 89.7 | Confident | 3 Ų | 3 | 52 Ų | 52 | 3% | 0.025 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.4 | -43.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L221 M257 W351 R352 A353 I358 C359 | L221-A355 HydrophobicContact CD2-CB 3.51Å; M257-A355 HydrophobicContact CE-CB 3.88Å; W351-A355 HydrophobicContact CE3-CB 4.27Å; W351-A355 HydrophobicContact CH2-CB 4.26Å; W351-A355 HydrophobicContact CZ3-CB 4.14Å; W351-A355 WeakPolarHBondContact O-CB 3.45Å; W351-A355 PolarHBondContact O-N 2.93Å; R352-A355 PolarHBondContact O-N 3.47Å; A353-A355 PolarHBondContact O-N 3.2Å; A355-I358 VanDerWaalsContact O-CG2 3.3Å; A355-I358 WeakPolarHBondContact O-CG2 3.35Å; A355-C359 WeakPolarHBondContact O-CB 3.23Å; A355-C359 PolarHBondContact O-N 3.39Å; A355-C359 PolarHBondContact O-SG 3.11Å |
| 356 | I | 92.1 | Very high | 89.6 | Confident | 18 Ų | 18 | 47.8 Ų | 47.8 | 9% | 0.092 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.2 | -44 | 177 | -71.3 | 170.2 | 0 | 0 | 0 | 110.1 | M257 R352 A353 I358 C359 R360 F409 E414 L415 | M257-I356 HydrophobicContact CE-CG1 4.35Å; R352-I356 HydrophobicContact CG-CD1 3.62Å; R352-I356 HydrophobicContact CG-CG1 4.32Å; R352-I356 WeakPolarHBondContact O-CB 3.47Å; R352-I356 VanDerWaalsContact O-CG1 3.22Å; R352-I356 WeakPolarHBondContact O-CG1 3.38Å; R352-I356 PolarHBondContact O-N 3.32Å; A353-I356 PolarHBondContact O-N 2.71Å; I356-I358 PolarHBondContact O-N 2.91Å; I356-C359 PolarHBondContact O-N 2.91Å; I356-R360 HydrophobicContact CG2-CG 4.22Å; I356-R360 WeakPolarHBondContact O-CB 3.45Å; I356-R360 VanDerWaalsContact O-CG 3.29Å; I356-R360 WeakPolarHBondContact O-CG 3.46Å; I356-R360 PolarHBondContact O-N 3.03Å; I356-F409 HydrophobicContact CD1-CE2 4.38Å; I356-E414 HydrophobicContact CD1-CB 4.24Å; I356-L415 HydrophobicContact CG2-CD1 4.21Å |
| 357 | Q | 90.7 | Very high | 89.6 | Confident | 136 Ų | 136 | 40.9 Ų | 40.9 | 64% | 0.636 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -59.5 | -50 | -179.9 | -176.5 | 178.9 | -4.1 | 0 | 0 | 111.7 | A353 D354 R360 Q361 | A353-Q357 WeakPolarHBondContact O-CB 3.31Å; A353-Q357 PolarHBondContact O-N 2.65Å; D354-Q357 PolarHBondContact O-N 3.08Å; Q357-R360 PolarHBondContact O-N 3.33Å; Q357-Q361 PolarHBondContact O-N 3.17Å; Q357-Q361 VanDerWaalsContact O-N 3.12Å |
| 358 | I | 88.5 | Confident | 89.4 | Confident | 8 Ų | 8 | 42.3 Ų | 42.3 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.2 | -37.5 | 179.7 | -167.9 | 65.7 | 0 | 0 | 0 | 112 | L221 Y222 L225 D354 A355 I356 R360 Q361 V362 | L221-I358 HydrophobicContact CD2-CG2 4.4Å; Y222-I358 HydrophobicContact CD1-CG1 4.4Å; Y222-I358 HydrophobicContact CE1-CD1 4Å; Y222-I358 HydrophobicContact CE1-CG1 3.73Å; Y222-I358 HydrophobicContact CE2-CG2 4.32Å; L225-I358 HydrophobicContact CD1-CB 4.48Å; L225-I358 HydrophobicContact CD1-CG1 4Å; L225-I358 HydrophobicContact CD1-CG2 3.85Å; D354-I358 WeakPolarHBondContact O-CG2 3.43Å; D354-I358 PolarHBondContact O-N 3.37Å; D354-I358 VanDerWaalsContact O-N 3.1Å; A355-I358 VanDerWaalsContact O-CG2 3.3Å; A355-I358 WeakPolarHBondContact O-CG2 3.35Å; I356-I358 PolarHBondContact O-N 2.91Å; I358-R360 VanDerWaalsContact C-N 3.35Å; I358-Q361 PolarHBondContact O-N 2.79Å; I358-V362 HydrophobicContact CD1-CG2 4.27Å; I358-V362 HydrophobicContact CG1-CG2 4.35Å; I358-V362 PolarHBondContact O-N 3Å |
| 359 | C | 91.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 175.4 | -72.1 | 0 | 0 | 0 | 0 | 110.7 | A355 I356 Q361 V362 L363 L415 | A355-C359 WeakPolarHBondContact O-CB 3.23Å; A355-C359 PolarHBondContact O-N 3.39Å; A355-C359 PolarHBondContact O-SG 3.11Å; I356-C359 PolarHBondContact O-N 2.91Å; C359-Q361 VanDerWaalsContact C-N 3.31Å; C359-Q361 PolarHBondContact O-N 3.42Å; C359-V362 PolarHBondContact O-N 3.01Å; C359-L363 HydrophobicContact CB-CD1 4.02Å; C359-L363 HydrophobicContact CB-CG 4.49Å; C359-L363 WeakPolarHBondContact O-CA 3.46Å; C359-L363 WeakPolarHBondContact O-CB 3.25Å; C359-L363 VanDerWaalsContact O-CG 3.23Å; C359-L363 WeakPolarHBondContact O-CG 3.47Å; C359-L363 PolarHBondContact O-N 3.4Å; C359-L415 HydrophobicContact CB-CD1 3.63Å; C359-L415 HydrophobicContact CB-CD2 3.76Å; C359-L415 HydrophobicContact CB-CG 4.33Å |
| 360 | R | 91 | Very high | 88.8 | Confident | 104 Ų | 104 | 47.2 Ų | 47.2 | 39% | 0.392 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 175.7 | -76.4 | 177.5 | 178.5 | -177.7 | -2.9 | 111.4 | I356 Q357 I358 S364 E414 L415 D418 L419 | I356-R360 HydrophobicContact CG2-CG 4.22Å; I356-R360 WeakPolarHBondContact O-CB 3.45Å; I356-R360 VanDerWaalsContact O-CG 3.29Å; I356-R360 WeakPolarHBondContact O-CG 3.46Å; I356-R360 PolarHBondContact O-N 3.03Å; Q357-R360 PolarHBondContact O-N 3.33Å; I358-R360 VanDerWaalsContact C-N 3.35Å; R360-S364 WeakPolarHBondContact O-CB 3.5Å; R360-S364 PolarHBondContact O-N 3.26Å; R360-S364 VanDerWaalsContact O-N 3.12Å; R360-S364 PolarHBondContact O-OG 3.46Å; R360-E414 PolarHBondContact NH2-O 3.1Å; R360-L415 HydrophobicContact CG-CD1 3.71Å; R360-D418 IonicContact NH2-OD2 3.71Å; R360-L419 HydrophobicContact CB-CD2 4.42Å; R360-L419 HydrophobicContact CG-CD2 4.37Å |
| 361 | Q | 87.7 | Confident | 88.5 | Confident | 98 Ų | 98 | 49.2 Ų | 49.2 | 46% | 0.458 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.9 | -52.8 | 177.9 | -173 | 179.8 | 7 | 0 | 0 | 112.3 | Q357 I358 C359 S364 E365 | Q357-Q361 PolarHBondContact O-N 3.17Å; Q357-Q361 VanDerWaalsContact O-N 3.12Å; I358-Q361 PolarHBondContact O-N 2.79Å; C359-Q361 VanDerWaalsContact C-N 3.31Å; C359-Q361 PolarHBondContact O-N 3.42Å; Q361-S364 PolarHBondContact O-OG 3.15Å; Q361-E365 WeakPolarHBondContact O-CG 3.41Å; Q361-E365 PolarHBondContact O-N 2.96Å |
| 362 | V | 87.4 | Confident | 88.2 | Confident | 10 Ų | 10 | 50.5 Ų | 50.5 | 6% | 0.061 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -77.7 | -39.3 | -173.6 | 178 | 0 | 0 | 0 | 0 | 112.3 | L225 R227 I358 C359 E365 S366 | L225-V362 HydrophobicContact CB-CB 4.41Å; L225-V362 HydrophobicContact CB-CG1 4.1Å; L225-V362 HydrophobicContact CB-CG2 4.37Å; L225-V362 HydrophobicContact CD2-CB 4.14Å; L225-V362 HydrophobicContact CD2-CG1 4.03Å; R227-V362 HydrophobicContact CG-CG2 4.43Å; I358-V362 HydrophobicContact CD1-CG2 4.27Å; I358-V362 HydrophobicContact CG1-CG2 4.35Å; I358-V362 PolarHBondContact O-N 3Å; C359-V362 PolarHBondContact O-N 3.01Å; V362-E365 WeakPolarHBondContact O-CB 3.2Å; V362-E365 PolarHBondContact O-N 2.95Å; V362-S366 PolarHBondContact O-N 3.08Å |
| 363 | L | 89 | Confident | 87.9 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.8 | -34.1 | -179.9 | -61.9 | 175.9 | 0 | 0 | 0 | 111.3 | L225 Q249 L250 V253 C359 S366 L367 L415 L419 | L225-L363 HydrophobicContact CD2-CD2 4.23Å; L225-L363 HydrophobicContact CD2-CG 4.41Å; Q249-L363 HydrophobicContact CG-CD2 4.38Å; L250-L363 HydrophobicContact CD1-CD1 4.23Å; V253-L363 HydrophobicContact CG1-CD1 4.5Å; C359-L363 HydrophobicContact CB-CD1 4.02Å; C359-L363 HydrophobicContact CB-CG 4.49Å; C359-L363 WeakPolarHBondContact O-CA 3.46Å; C359-L363 WeakPolarHBondContact O-CB 3.25Å; C359-L363 VanDerWaalsContact O-CG 3.23Å; C359-L363 WeakPolarHBondContact O-CG 3.47Å; C359-L363 PolarHBondContact O-N 3.4Å; L363-S366 WeakPolarHBondContact CA-OG 3.3Å; L363-S366 PolarHBondContact O-N 2.92Å; L363-S366 PolarHBondContact O-OG 3.29Å; L363-L367 WeakPolarHBondContact O-CB 3.2Å; L363-L367 VanDerWaalsContact O-CG 3.32Å; L363-L367 WeakPolarHBondContact O-CG 3.43Å; L363-L367 PolarHBondContact O-N 2.92Å; L363-L415 HydrophobicContact CD1-CD2 4.44Å; L363-L419 HydrophobicContact CB-CD1 3.88Å; L363-L419 HydrophobicContact CD1-CD1 4.19Å |
| 364 | S | 88 | Confident | 87.6 | Confident | 49 Ų | 49 | 50.5 Ų | 50.5 | 34% | 0.343 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 171.5 | 61.4 | 0 | 0 | 0 | 0 | 111.8 | R360 Q361 S366 L367 S368 | R360-S364 WeakPolarHBondContact O-CB 3.5Å; R360-S364 PolarHBondContact O-N 3.26Å; R360-S364 VanDerWaalsContact O-N 3.12Å; R360-S364 PolarHBondContact O-OG 3.46Å; Q361-S364 PolarHBondContact O-OG 3.15Å; S364-S366 VanDerWaalsContact C-N 3.31Å; S364-S366 PolarHBondContact O-N 3.39Å; S364-L367 PolarHBondContact O-N 3.01Å; S364-S368 WeakPolarHBondContact O-CB 3.02Å; S364-S368 PolarHBondContact O-N 2.74Å |
| 365 | E | 85.7 | Confident | 87.5 | Confident | 67 Ų | 67 | 50.4 Ų | 50.4 | 31% | 0.313 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -54.3 | -48.5 | 169.8 | -74.7 | 175.2 | -159.3 | 0 | 0 | 110.1 | R227 R238 Q361 V362 L367 S368 H369 | R227-E365 IonicContact NH2-OE1 3.51Å; R227-E365 IonicContact NH2-OE2 3.12Å; R227-E365 PolarHBondContact NH2-OE2 3.18Å; R238-E365 IonicContact NH2-OE1 3.88Å; R238-E365 IonicContact NH2-OE2 3.6Å; R238-E365 PolarHBondContact NH2-OE2 3.25Å; R238-E365 VanDerWaalsContact NH2-OE2 3.07Å; Q361-E365 WeakPolarHBondContact O-CG 3.41Å; Q361-E365 PolarHBondContact O-N 2.96Å; V362-E365 WeakPolarHBondContact O-CB 3.2Å; V362-E365 PolarHBondContact O-N 2.95Å; E365-L367 PolarHBondContact O-N 2.86Å; E365-S368 WeakPolarHBondContact O-CB 3.31Å; E365-S368 PolarHBondContact O-N 3.07Å; E365-S368 PolarHBondContact O-OG 2.97Å; E365-H369 PolarHBondContact O-CD2 3.02Å |
| 366 | S | 85.2 | Confident | 87.4 | Confident | 12 Ų | 12 | 50.3 Ų | 50.3 | 8% | 0.084 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.3 | -40.8 | -178.9 | 80.4 | 0 | 0 | 0 | 0 | 113.9 | V362 L363 S364 S368 H369 | V362-S366 PolarHBondContact O-N 3.08Å; L363-S366 WeakPolarHBondContact CA-OG 3.3Å; L363-S366 PolarHBondContact O-N 2.92Å; L363-S366 PolarHBondContact O-OG 3.29Å; S364-S366 VanDerWaalsContact C-N 3.31Å; S364-S366 PolarHBondContact O-N 3.39Å; S366-S368 VanDerWaalsContact C-N 3.33Å; S366-H369 PolarHBondContact O-N 2.89Å |
| 367 | L | 86.9 | Confident | 87.1 | Confident | 8 Ų | 8 | 50 Ų | 50 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -73.1 | -27.6 | 179.5 | -73.4 | 169.9 | 0 | 0 | 0 | 111.5 | V246 L363 S364 E365 H369 V370 L376 L419 F420 R423 | V246-L367 HydrophobicContact CG1-CD2 4.07Å; L363-L367 WeakPolarHBondContact O-CB 3.2Å; L363-L367 VanDerWaalsContact O-CG 3.32Å; L363-L367 WeakPolarHBondContact O-CG 3.43Å; L363-L367 PolarHBondContact O-N 2.92Å; S364-L367 PolarHBondContact O-N 3.01Å; E365-L367 PolarHBondContact O-N 2.86Å; L367-H369 PolarHBondContact O-N 3.25Å; L367-V370 WeakPolarHBondContact O-CB 3.44Å; L367-V370 PolarHBondContact O-N 2.94Å; L367-L376 HydrophobicContact CD2-CD1 3.92Å; L367-L419 HydrophobicContact CD1-CB 3.88Å; L367-F420 HydrophobicContact CD2-CE1 4.24Å; L367-R423 HydrophobicContact CB-CG 4.49Å; L367-R423 PolarHBondContact O-NE 3.44Å; L367-R423 VanDerWaalsContact O-NE 3.1Å |
| 368 | S | 85.9 | Confident | 86.8 | Confident | 59 Ų | 59 | 48.2 Ų | 48.2 | 41% | 0.413 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.2 | -24.4 | 173.8 | 80.5 | 0 | 0 | 0 | 0 | 113 | S364 E365 S366 V370 R423 | S364-S368 WeakPolarHBondContact O-CB 3.02Å; S364-S368 PolarHBondContact O-N 2.74Å; E365-S368 WeakPolarHBondContact O-CB 3.31Å; E365-S368 PolarHBondContact O-N 3.07Å; E365-S368 PolarHBondContact O-OG 2.97Å; S366-S368 VanDerWaalsContact C-N 3.33Å; S368-V370 VanDerWaalsContact C-N 3.34Å; S368-R423 PolarHBondContact O-NH2 3.41Å |
| 369 | H | 84.5 | Confident | 86.6 | Confident | 151 Ų | 151 | 48.8 Ų | 48.8 | 70% | 0.699 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -13.9 | 174.9 | -62.6 | -55.6 | 0 | 0 | 0 | 113.7 | E365 S366 L367 S371 | E365-H369 PolarHBondContact O-CD2 3.02Å; S366-H369 PolarHBondContact O-N 2.89Å; L367-H369 PolarHBondContact O-N 3.25Å; H369-S371 PolarHBondContact O-N 2.91Å |
| 370 | V | 85 | Confident | 86.4 | Confident | 16 Ų | 16 | 49.1 Ų | 49.1 | 10% | 0.097 | 26% | 0.264 | C | S | . | . | trans | -78.6 | 106.7 | 176.3 | -177.6 | 0 | 0 | 0 | 0 | 108.3 | V246 L367 S368 T375 L376 L379 R423 L427 | V246-V370 HydrophobicContact CG2-CG2 4.42Å; L367-V370 WeakPolarHBondContact O-CB 3.44Å; L367-V370 PolarHBondContact O-N 2.94Å; S368-V370 VanDerWaalsContact C-N 3.34Å; V370-T375 WeakPolarHBondContact CG1-OG1 3.46Å; V370-L376 HydrophobicContact CG1-CB 4.09Å; V370-L376 HydrophobicContact CG1-CD1 4.47Å; V370-L379 HydrophobicContact CG1-CD1 4.45Å; V370-L379 HydrophobicContact CG2-CD1 4.02Å; V370-R423 PolarHBondContact O-NE 3.43Å; V370-R423 PolarHBondContact O-NH2 3Å; V370-L427 WeakPolarHBondContact O-CD1 3.18Å | ||
| 371 | S | 84.1 | Confident | 86.1 | Confident | 99 Ų | 99 | 45.4 Ų | 45.4 | 69% | 0.692 | 25% | 0.253 | S | S | * | . | trans | -93.2 | -24.3 | -177.5 | 54.9 | 0 | 0 | 0 | 0 | 114 | H369 L427 | H369-S371 PolarHBondContact O-N 2.91Å; S371-L427 WeakPolarHBondContact O-CD2 3.35Å | ||
| 372 | S | 86.3 | Confident | 85.9 | Confident | 41 Ų | 41 | 42.2 Ų | 42.2 | 29% | 0.287 | 24% | 0.24 | S | C | . | . | trans | -88.4 | 123 | -179.5 | 167.4 | 0 | 0 | 0 | 0 | 111 | E374 T375 L376 | S372-E374 PolarHBondContact O-N 3.01Å; S372-E374 PolarHBondContact OG-N 3.21Å; S372-T375 WeakPolarHBondContact CB-OG1 3.08Å; S372-T375 PolarHBondContact O-N 3.42Å; S372-T375 PolarHBondContact O-OG1 2.94Å; S372-T375 PolarHBondContact OG-N 3.4Å; S372-L376 PolarHBondContact O-N 2.8Å; S372-L376 VanDerWaalsContact O-N 3.13Å | ||
| 373 | F | 85.4 | Confident | 85.8 | Confident | 14 Ų | 14 | 41.9 Ų | 41.9 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -52.7 | -44 | 172.4 | 169.4 | -109.8 | 0 | 0 | 0 | 111.7 | T375 L376 V377 L424 L427 F428 H622 K625 L626 | F373-T375 PolarHBondContact O-N 2.83Å; F373-L376 PolarHBondContact O-N 2.82Å; F373-V377 HydrophobicContact CD2-CG2 4.19Å; F373-V377 HydrophobicContact CE1-CG2 4.14Å; F373-V377 HydrophobicContact CE2-CG2 3.63Å; F373-V377 HydrophobicContact CZ-CG2 3.59Å; F373-V377 WeakPolarHBondContact O-CG2 3.44Å; F373-V377 PolarHBondContact O-N 3.31Å; F373-L424 HydrophobicContact CD2-CD2 4.45Å; F373-L424 HydrophobicContact CE2-CD2 4.06Å; F373-L427 HydrophobicContact CB-CB 4.38Å; F373-F428 HydrophobicContact CD2-CB 4.33Å; F373-F428 HydrophobicContact CD2-CD2 4.33Å; F373-F428 HydrophobicContact CE1-CD2 4.49Å; F373-F428 HydrophobicContact CE2-CB 4.11Å; F373-F428 AromaticContact CE2-CD2 3.58Å; F373-F428 HydrophobicContact CE2-CD2 3.58Å; F373-F428 HydrophobicContact CE2-CG 4.32Å; F373-F428 AromaticContact CZ-CD2 3.68Å; F373-F428 HydrophobicContact CZ-CD2 3.68Å; F373-F428 HydrophobicContact CZ-CE2 4.19Å; F373-H622 AromaticContact CD1-CD2 3.83Å; F373-H622 HydrophobicContact CE1-CB 4.49Å; F373-H622 AromaticContact CE1-CD2 3.99Å; F373-K625 HydrophobicContact CE1-CB 4.23Å; F373-L626 HydrophobicContact CE2-CD1 3.67Å; F373-L626 HydrophobicContact CZ-CB 4.07Å; F373-L626 HydrophobicContact CZ-CD1 3.84Å |
| 374 | E | 85.4 | Confident | 85.5 | Confident | 99 Ų | 99 | 43 Ų | 43 | 46% | 0.463 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.5 | -46 | -178.8 | -57 | -178.2 | 145.7 | 0 | 0 | 111.3 | S372 L376 V377 D378 K625 | S372-E374 PolarHBondContact O-N 3.01Å; S372-E374 PolarHBondContact OG-N 3.21Å; E374-L376 VanDerWaalsContact C-N 3.26Å; E374-L376 PolarHBondContact O-N 3.35Å; E374-V377 PolarHBondContact O-N 3.41Å; E374-D378 PolarHBondContact O-N 3.04Å; E374-K625 IonicContact OE1-NZ 3.58Å; E374-K625 PolarHBondContact OE1-NZ 2.81Å |
| 375 | T | 86 | Confident | 85.3 | Confident | 65 Ų | 65 | 43.5 Ų | 43.5 | 40% | 0.399 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.6 | -33.4 | 178.4 | 61.6 | 0 | 0 | 0 | 0 | 112.3 | V370 S372 F373 L379 | V370-T375 WeakPolarHBondContact CG1-OG1 3.46Å; S372-T375 WeakPolarHBondContact CB-OG1 3.08Å; S372-T375 PolarHBondContact O-N 3.42Å; S372-T375 PolarHBondContact O-OG1 2.94Å; S372-T375 PolarHBondContact OG-N 3.4Å; F373-T375 PolarHBondContact O-N 2.83Å; T375-L379 WeakPolarHBondContact O-CB 3.17Å; T375-L379 WeakPolarHBondContact O-CG 3.41Å; T375-L379 PolarHBondContact O-N 3.44Å |
| 376 | L | 88.2 | Confident | 84.9 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.7 | -41.8 | 177.4 | -175.5 | 68.3 | 0 | 0 | 0 | 111.8 | L367 V370 S372 F373 E374 D378 L379 R380 F420 R423 L424 L427 | L367-L376 HydrophobicContact CD2-CD1 3.92Å; V370-L376 HydrophobicContact CG1-CB 4.09Å; V370-L376 HydrophobicContact CG1-CD1 4.47Å; S372-L376 PolarHBondContact O-N 2.8Å; S372-L376 VanDerWaalsContact O-N 3.13Å; F373-L376 PolarHBondContact O-N 2.82Å; E374-L376 VanDerWaalsContact C-N 3.26Å; E374-L376 PolarHBondContact O-N 3.35Å; L376-D378 VanDerWaalsContact C-N 3.34Å; L376-L379 PolarHBondContact O-N 3.04Å; L376-R380 PolarHBondContact O-N 3.42Å; L376-F420 HydrophobicContact CD1-CD1 3.86Å; L376-F420 HydrophobicContact CD1-CE1 3.97Å; L376-F420 HydrophobicContact CG-CD1 4.4Å; L376-R423 HydrophobicContact CD1-CB 4.43Å; L376-R423 HydrophobicContact CD1-CG 4.11Å; L376-R423 HydrophobicContact CD2-CB 3.92Å; L376-R423 HydrophobicContact CD2-CG 3.64Å; L376-L424 HydrophobicContact CD2-CB 4.34Å; L376-L424 HydrophobicContact CD2-CD2 3.7Å; L376-L424 HydrophobicContact CD2-CG 3.73Å; L376-L424 HydrophobicContact CG-CD2 4.13Å; L376-L424 HydrophobicContact CG-CG 4.32Å; L376-L427 HydrophobicContact CB-CD1 4.18Å; L376-L427 HydrophobicContact CD2-CD1 3.81Å |
| 377 | V | 85.8 | Confident | 84.7 | Confident | 13 Ų | 13 | 42.4 Ų | 42.4 | 8% | 0.079 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.3 | -46.4 | 174.2 | 173.3 | 0 | 0 | 0 | 0 | 109.7 | F373 E374 L379 R380 T381 L424 K625 | F373-V377 HydrophobicContact CD2-CG2 4.19Å; F373-V377 HydrophobicContact CE1-CG2 4.14Å; F373-V377 HydrophobicContact CE2-CG2 3.63Å; F373-V377 HydrophobicContact CZ-CG2 3.59Å; F373-V377 WeakPolarHBondContact O-CG2 3.44Å; F373-V377 PolarHBondContact O-N 3.31Å; E374-V377 PolarHBondContact O-N 3.41Å; V377-L379 VanDerWaalsContact C-N 3.33Å; V377-L379 PolarHBondContact O-N 2.84Å; V377-R380 WeakPolarHBondContact O-CA 3.34Å; V377-R380 WeakPolarHBondContact O-CB 3.46Å; V377-R380 PolarHBondContact O-N 3.4Å; V377-R380 VanDerWaalsContact O-N 3.08Å; V377-T381 HydrophobicContact CG1-CG2 4.3Å; V377-T381 VanDerWaalsContact O-CG2 3.3Å; V377-T381 WeakPolarHBondContact O-CG2 3.15Å; V377-T381 PolarHBondContact O-N 2.79Å; V377-L424 HydrophobicContact CG2-CD2 4.11Å; V377-K625 WeakPolarHBondContact CG1-O 3.25Å |
| 378 | D | 84.8 | Confident | 84.4 | Confident | 97 Ų | 97 | 47.6 Ų | 47.6 | 52% | 0.519 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.5 | -38.6 | 176.4 | -71.6 | -16.1 | 0 | 0 | 0 | 113 | E374 L376 R380 T381 T382 | E374-D378 PolarHBondContact O-N 3.04Å; L376-D378 VanDerWaalsContact C-N 3.34Å; D378-R380 VanDerWaalsContact C-N 3.34Å; D378-T381 WeakPolarHBondContact CA-OG1 3.33Å; D378-T381 PolarHBondContact O-OG1 3.46Å; D378-T382 WeakPolarHBondContact O-CB 3.15Å; D378-T382 VanDerWaalsContact O-CG2 3.22Å; D378-T382 WeakPolarHBondContact O-CG2 3.49Å; D378-T382 PolarHBondContact O-N 3.27Å; D378-T382 PolarHBondContact O-OG1 3.01Å |
| 379 | L | 85.7 | Confident | 83.9 | Confident | 20 Ų | 20 | 52 Ų | 52 | 11% | 0.105 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.4 | -41.1 | 173 | -73.8 | 174.2 | 0 | 0 | 0 | 111.6 | V246 R247 V370 T375 L376 V377 T382 A383 F420 | V246-L379 HydrophobicContact CG1-CD1 4.33Å; R247-L379 HydrophobicContact CB-CD2 3.48Å; R247-L379 VanDerWaalsContact CB-CD2 3.48Å; R247-L379 HydrophobicContact CG-CD2 3.76Å; V370-L379 HydrophobicContact CG1-CD1 4.45Å; V370-L379 HydrophobicContact CG2-CD1 4.02Å; T375-L379 WeakPolarHBondContact O-CB 3.17Å; T375-L379 WeakPolarHBondContact O-CG 3.41Å; T375-L379 PolarHBondContact O-N 3.44Å; L376-L379 PolarHBondContact O-N 3.04Å; V377-L379 VanDerWaalsContact C-N 3.33Å; V377-L379 PolarHBondContact O-N 2.84Å; L379-T382 WeakPolarHBondContact CA-OG1 3.4Å; L379-T382 PolarHBondContact O-OG1 2.91Å; L379-A383 VanDerWaalsContact O-CB 3.31Å; L379-A383 WeakPolarHBondContact O-CB 3.28Å; L379-A383 PolarHBondContact O-N 3.21Å; L379-F420 HydrophobicContact CB-CE1 3.97Å; L379-F420 HydrophobicContact CB-CZ 4.29Å |
| 380 | R | 87.2 | Confident | 83.2 | Confident | 7 Ų | 7 | 47.4 Ų | 47.4 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.2 | -47.9 | 175.5 | 169.2 | 162.8 | -173.9 | -72.7 | -9.5 | 111.8 | L376 V377 D378 T382 A383 L384 W412 F420 N629 V630 D633 | L376-R380 PolarHBondContact O-N 3.42Å; V377-R380 WeakPolarHBondContact O-CA 3.34Å; V377-R380 WeakPolarHBondContact O-CB 3.46Å; V377-R380 PolarHBondContact O-N 3.4Å; V377-R380 VanDerWaalsContact O-N 3.08Å; D378-R380 VanDerWaalsContact C-N 3.34Å; R380-T382 VanDerWaalsContact C-N 3.34Å; R380-T382 PolarHBondContact O-N 3.27Å; R380-A383 PolarHBondContact O-N 2.89Å; R380-L384 HydrophobicContact CG-CD1 3.97Å; R380-L384 WeakPolarHBondContact O-CG 3.2Å; R380-L384 PolarHBondContact O-N 2.93Å; R380-W412 HydrophobicContact CG-CH2 3.83Å; R380-W412 HydrophobicContact CG-CZ2 4.35Å; R380-F420 HydrophobicContact CB-CD1 3.79Å; R380-F420 HydrophobicContact CB-CE1 3.86Å; R380-F420 HydrophobicContact CB-CG 4.31Å; R380-F420 HydrophobicContact CB-CZ 4.45Å; R380-N629 VanDerWaalsContact CZ-O 3.32Å; R380-N629 PolarHBondContact NH1-O 3.5Å; R380-N629 PolarHBondContact NH2-O 2.78Å; R380-V630 PolarHBondContact NH2-O 3.15Å; R380-D633 IonicContact CZ-OD2 3.23Å; R380-D633 IonicContact NE-OD2 2.86Å; R380-D633 IonicContact NH2-OD2 3.94Å; R380-D633 PolarHBondContact NH2-OD2 3.1Å |
| 381 | T | 84 | Confident | 82.4 | Confident | 27 Ų | 27 | 50.5 Ų | 50.5 | 17% | 0.166 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 179.6 | 62.2 | 0 | 0 | 0 | 0 | 111.2 | V377 D378 A383 L384 V385 N629 | V377-T381 HydrophobicContact CG1-CG2 4.3Å; V377-T381 VanDerWaalsContact O-CG2 3.3Å; V377-T381 WeakPolarHBondContact O-CG2 3.15Å; V377-T381 PolarHBondContact O-N 2.79Å; D378-T381 WeakPolarHBondContact CA-OG1 3.33Å; D378-T381 PolarHBondContact O-OG1 3.46Å; T381-A383 PolarHBondContact O-N 3.38Å; T381-L384 PolarHBondContact O-N 2.86Å; T381-V385 WeakPolarHBondContact O-CG2 3.46Å; T381-V385 PolarHBondContact O-N 3.16Å; T381-N629 HydrophobicContact CG2-CB 4.07Å; T381-N629 WeakPolarHBondContact CG2-ND2 3.44Å |
| 382 | T | 83.9 | Confident | 81.2 | Confident | 30 Ų | 30 | 49.5 Ų | 49.5 | 18% | 0.184 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.2 | -41.2 | 177.4 | 54.9 | 0 | 0 | 0 | 0 | 111.7 | D378 L379 R380 L386 | D378-T382 WeakPolarHBondContact O-CB 3.15Å; D378-T382 VanDerWaalsContact O-CG2 3.22Å; D378-T382 WeakPolarHBondContact O-CG2 3.49Å; D378-T382 PolarHBondContact O-N 3.27Å; D378-T382 PolarHBondContact O-OG1 3.01Å; L379-T382 WeakPolarHBondContact CA-OG1 3.4Å; L379-T382 PolarHBondContact O-OG1 2.91Å; R380-T382 VanDerWaalsContact C-N 3.34Å; R380-T382 PolarHBondContact O-N 3.27Å; T382-L386 WeakPolarHBondContact O-CB 3.35Å; T382-L386 VanDerWaalsContact O-CD1 3.27Å; T382-L386 WeakPolarHBondContact O-CD1 3.34Å; T382-L386 WeakPolarHBondContact O-CG 3.49Å; T382-L386 PolarHBondContact O-N 3.41Å |
| 383 | A | 84.7 | Confident | 79.6 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 3% | 0.025 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L250 L379 R380 T381 L386 V387 W412 F420 | L250-A383 HydrophobicContact CD2-CB 3.76Å; L379-A383 VanDerWaalsContact O-CB 3.31Å; L379-A383 WeakPolarHBondContact O-CB 3.28Å; L379-A383 PolarHBondContact O-N 3.21Å; R380-A383 PolarHBondContact O-N 2.89Å; T381-A383 PolarHBondContact O-N 3.38Å; A383-L386 WeakPolarHBondContact O-CB 3.43Å; A383-L386 PolarHBondContact O-N 2.91Å; A383-V387 WeakPolarHBondContact O-CG2 3.44Å; A383-V387 PolarHBondContact O-N 3.18Å; A383-W412 HydrophobicContact CB-CZ3 3.96Å; A383-F420 HydrophobicContact CB-CE2 4.16Å; A383-F420 HydrophobicContact CB-CZ 4.27Å |
| 384 | L | 83 | Confident | 77.9 | Confident | 27 Ų | 27 | 56.7 Ų | 56.7 | 14% | 0.141 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.7 | -48.9 | 176.9 | -78.1 | 168.4 | 0 | 0 | 0 | 112.1 | R380 T381 L386 V387 Q388 W412 N629 | R380-L384 HydrophobicContact CG-CD1 3.97Å; R380-L384 WeakPolarHBondContact O-CG 3.2Å; R380-L384 PolarHBondContact O-N 2.93Å; T381-L384 PolarHBondContact O-N 2.86Å; L384-L386 PolarHBondContact O-N 3.27Å; L384-V387 PolarHBondContact O-N 3.03Å; L384-Q388 WeakPolarHBondContact O-CB 3.46Å; L384-Q388 WeakPolarHBondContact O-CG 3.32Å; L384-Q388 PolarHBondContact O-N 3.32Å; L384-W412 HydrophobicContact CD1-CH2 4.42Å; L384-W412 HydrophobicContact CD1-CZ2 4.34Å; L384-W412 HydrophobicContact CD2-CD2 3.54Å; L384-W412 VanDerWaalsContact CD2-CE2 3.45Å; L384-W412 HydrophobicContact CD2-CE3 3.77Å; L384-W412 HydrophobicContact CD2-CG 4.17Å; L384-W412 HydrophobicContact CD2-CH2 3.98Å; L384-W412 HydrophobicContact CD2-CZ2 3.69Å; L384-W412 HydrophobicContact CD2-CZ3 3.99Å; L384-W412 HydrophobicContact CG-CD2 4.39Å; L384-W412 HydrophobicContact CG-CE3 4.2Å; L384-W412 HydrophobicContact CG-CH2 3.85Å; L384-W412 HydrophobicContact CG-CZ2 3.98Å; L384-W412 HydrophobicContact CG-CZ3 3.93Å; L384-N629 HydrophobicContact CD1-CB 4.28Å |
| 385 | V | 83 | Confident | 75.9 | Confident | 59 Ų | 59 | 56 Ų | 56 | 36% | 0.358 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.5 | -37.4 | 177.6 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | T381 R389 | T381-V385 WeakPolarHBondContact O-CG2 3.46Å; T381-V385 PolarHBondContact O-N 3.16Å; V385-R389 HydrophobicContact CG1-CG 4.42Å; V385-R389 WeakPolarHBondContact O-CB 3.14Å; V385-R389 VanDerWaalsContact O-CG 3.23Å; V385-R389 WeakPolarHBondContact O-CG 3.06Å; V385-R389 PolarHBondContact O-N 3.48Å |
| 386 | L | 78 | Confident | 73.8 | Confident | 48 Ų | 48 | 60.5 Ų | 60.5 | 25% | 0.251 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68.2 | -46 | 177.5 | -72.6 | 163.9 | 0 | 0 | 0 | 112.2 | L251 T382 A383 L384 R389 L390 | L251-L386 HydrophobicContact CB-CD1 4.3Å; L251-L386 HydrophobicContact CD1-CD1 3.37Å; L251-L386 HydrophobicContact CD1-CD2 3.45Å; L251-L386 VanDerWaalsContact CD1-CD2 3.45Å; L251-L386 HydrophobicContact CD1-CG 3.97Å; L251-L386 HydrophobicContact CG-CD1 4.37Å; T382-L386 WeakPolarHBondContact O-CB 3.35Å; T382-L386 VanDerWaalsContact O-CD1 3.27Å; T382-L386 WeakPolarHBondContact O-CD1 3.34Å; T382-L386 WeakPolarHBondContact O-CG 3.49Å; T382-L386 PolarHBondContact O-N 3.41Å; A383-L386 WeakPolarHBondContact O-CB 3.43Å; A383-L386 PolarHBondContact O-N 2.91Å; L384-L386 PolarHBondContact O-N 3.27Å; L386-R389 PolarHBondContact O-N 2.73Å; L386-L390 WeakPolarHBondContact O-CB 3.23Å; L386-L390 VanDerWaalsContact O-CG 3.29Å; L386-L390 WeakPolarHBondContact O-CG 3.07Å; L386-L390 PolarHBondContact O-N 3.17Å |
| 387 | V | 81.3 | Confident | 71.8 | Confident | 7 Ų | 7 | 66.5 Ų | 66.5 | 4% | 0.042 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.2 | -47.5 | 176.9 | 172.6 | 0 | 0 | 0 | 0 | 110 | V254 A383 L384 R389 L390 Q391 W412 L416 | V254-V387 HydrophobicContact CG1-CG2 4.17Å; A383-V387 WeakPolarHBondContact O-CG2 3.44Å; A383-V387 PolarHBondContact O-N 3.18Å; L384-V387 PolarHBondContact O-N 3.03Å; V387-R389 PolarHBondContact O-N 3.49Å; V387-L390 PolarHBondContact O-N 2.81Å; V387-Q391 HydrophobicContact CG1-CG 4.3Å; V387-Q391 WeakPolarHBondContact O-CB 3.43Å; V387-Q391 VanDerWaalsContact O-CG 3.31Å; V387-Q391 WeakPolarHBondContact O-CG 3.21Å; V387-Q391 PolarHBondContact O-N 2.63Å; V387-W412 HydrophobicContact CG1-CB 4.38Å; V387-L416 HydrophobicContact CG2-CD1 4.28Å |
| 388 | Q | 79.3 | Confident | 69.7 | Low | 118 Ų | 118 | 70.6 Ų | 70.6 | 55% | 0.551 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -60.6 | -44.4 | 176.7 | -72.7 | 177 | -11.8 | 0 | 0 | 112.5 | L384 T392 | L384-Q388 WeakPolarHBondContact O-CB 3.46Å; L384-Q388 WeakPolarHBondContact O-CG 3.32Å; L384-Q388 PolarHBondContact O-N 3.32Å; Q388-T392 WeakPolarHBondContact O-CB 3.19Å; Q388-T392 VanDerWaalsContact O-CG2 3.26Å; Q388-T392 WeakPolarHBondContact O-CG2 3.38Å; Q388-T392 PolarHBondContact O-N 3.25Å; Q388-T392 PolarHBondContact O-OG1 2.91Å |
| 389 | R | 77.3 | Confident | 67.3 | Low | 152 Ų | 152 | 72.5 Ų | 72.5 | 57% | 0.574 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60.7 | -47.5 | 176.1 | -78.7 | 177 | -177.8 | -172.6 | 1.8 | 111.1 | V385 L386 V387 T392 F393 | V385-R389 HydrophobicContact CG1-CG 4.42Å; V385-R389 WeakPolarHBondContact O-CB 3.14Å; V385-R389 VanDerWaalsContact O-CG 3.23Å; V385-R389 WeakPolarHBondContact O-CG 3.06Å; V385-R389 PolarHBondContact O-N 3.48Å; L386-R389 PolarHBondContact O-N 2.73Å; V387-R389 PolarHBondContact O-N 3.49Å; R389-T392 WeakPolarHBondContact CA-OG1 3.37Å; R389-T392 PolarHBondContact O-N 3.37Å; R389-T392 PolarHBondContact O-OG1 3.41Å; R389-F393 WeakPolarHBondContact O-CD2 3.47Å; R389-F393 PolarHBondContact O-N 3.22Å |
| 390 | L | 69.5 | Low | 65.1 | Low | 53 Ų | 53 | 79.4 Ų | 79.4 | 28% | 0.277 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -69 | -37.1 | -177 | -66.6 | 170.4 | 0 | 0 | 0 | 112.2 | V254 L258 L386 V387 S394 | V254-L390 HydrophobicContact CG1-CD1 4.32Å; L258-L390 HydrophobicContact CD1-CB 3.5Å; L258-L390 HydrophobicContact CD1-CD1 3.65Å; L258-L390 HydrophobicContact CD1-CG 4.19Å; L386-L390 WeakPolarHBondContact O-CB 3.23Å; L386-L390 VanDerWaalsContact O-CG 3.29Å; L386-L390 WeakPolarHBondContact O-CG 3.07Å; L386-L390 PolarHBondContact O-N 3.17Å; V387-L390 PolarHBondContact O-N 2.81Å; L390-S394 PolarHBondContact O-N 3.45Å |
| 391 | Q | 68.2 | Low | 62.6 | Low | 81 Ų | 81 | 89.7 Ų | 89.7 | 38% | 0.379 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.4 | -40.6 | 173.3 | -73.3 | 173.2 | -18.3 | 0 | 0 | 112.1 | V387 S394 S395 | V387-Q391 HydrophobicContact CG1-CG 4.3Å; V387-Q391 WeakPolarHBondContact O-CB 3.43Å; V387-Q391 VanDerWaalsContact O-CG 3.31Å; V387-Q391 WeakPolarHBondContact O-CG 3.21Å; V387-Q391 PolarHBondContact O-N 2.63Å; Q391-S394 PolarHBondContact O-N 2.95Å; Q391-S395 PolarHBondContact O-N 3.34Å |
| 392 | T | 59.1 | Low | 60.2 | Low | 78 Ų | 78 | 92.9 Ų | 92.9 | 48% | 0.479 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -71.6 | -34.8 | 178.1 | 52.1 | 0 | 0 | 0 | 0 | 113.4 | Q388 R389 S394 S395 K396 | Q388-T392 WeakPolarHBondContact O-CB 3.19Å; Q388-T392 VanDerWaalsContact O-CG2 3.26Å; Q388-T392 WeakPolarHBondContact O-CG2 3.38Å; Q388-T392 PolarHBondContact O-N 3.25Å; Q388-T392 PolarHBondContact O-OG1 2.91Å; R389-T392 WeakPolarHBondContact CA-OG1 3.37Å; R389-T392 PolarHBondContact O-N 3.37Å; R389-T392 PolarHBondContact O-OG1 3.41Å; T392-S394 VanDerWaalsContact C-N 3.31Å; T392-S394 PolarHBondContact O-N 2.63Å; T392-S395 PolarHBondContact O-N 2.74Å; T392-S395 VanDerWaalsContact O-N 3.17Å; T392-K396 PolarHBondContact O-N 3.13Å; T392-K396 VanDerWaalsContact O-N 3.09Å |
| 393 | F | 51.5 | Low | 58 | Low | 133 Ų | 133 | 98.7 Ų | 98.7 | 58% | 0.583 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.3 | -37.5 | 174.3 | -88.3 | -69.7 | 0 | 0 | 0 | 112.2 | R389 S395 | R389-F393 WeakPolarHBondContact O-CD2 3.47Å; R389-F393 PolarHBondContact O-N 3.22Å; F393-S395 VanDerWaalsContact C-N 3.26Å; F393-S395 PolarHBondContact O-N 3.41Å |
| 394 | S | 49.8 | Very low | 56.3 | Low | 74 Ų | 74 | 102.9 Ų | 102.9 | 52% | 0.517 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.9 | -37 | 173.5 | -165.2 | 0 | 0 | 0 | 0 | 111.7 | L390 Q391 T392 | L390-S394 PolarHBondContact O-N 3.45Å; Q391-S394 PolarHBondContact O-N 2.95Å; T392-S394 VanDerWaalsContact C-N 3.31Å; T392-S394 PolarHBondContact O-N 2.63Å |
| 395 | S | 43.6 | Very low | 54.9 | Low | 84 Ų | 84 | 103.3 Ų | 103.3 | 59% | 0.587 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -78.5 | -32.6 | -177.8 | 178.3 | 0 | 0 | 0 | 0 | 114.3 | Q391 T392 F393 N397 D398 | Q391-S395 PolarHBondContact O-N 3.34Å; T392-S395 PolarHBondContact O-N 2.74Å; T392-S395 VanDerWaalsContact O-N 3.17Å; F393-S395 VanDerWaalsContact C-N 3.26Å; F393-S395 PolarHBondContact O-N 3.41Å; S395-N397 VanDerWaalsContact C-N 3.32Å; S395-N397 PolarHBondContact O-N 3.19Å; S395-D398 PolarHBondContact O-N 3.31Å |
| 396 | K | 42.9 | Very low | 53.8 | Low | 159 Ų | 159 | 102.8 Ų | 102.8 | 69% | 0.691 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -71.1 | -23 | -176.2 | -79.4 | -173.5 | 177.7 | -178.2 | 0 | 114.5 | T392 D398 | T392-K396 PolarHBondContact O-N 3.13Å; T392-K396 VanDerWaalsContact O-N 3.09Å; K396-D398 VanDerWaalsContact C-N 3.29Å |
| 397 | N | 45.7 | Very low | 53.4 | Low | 127 Ų | 127 | 101.1 Ų | 101.1 | 68% | 0.679 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -17.7 | 178.8 | -72.3 | -15.9 | 0 | 0 | 0 | 112.8 | S395 | S395-N397 VanDerWaalsContact C-N 3.32Å; S395-N397 PolarHBondContact O-N 3.19Å |
| 398 | D | 41 | Very low | 53 | Low | 99 Ų | 99 | 108 Ų | 108 | 53% | 0.529 | 56% | 0.563 | S | S | . | * | trans | -108.1 | 82.8 | 178.9 | -68 | -31.6 | 0 | 0 | 0 | 110.4 | S395 K396 K400 | S395-D398 PolarHBondContact O-N 3.31Å; K396-D398 VanDerWaalsContact C-N 3.29Å; D398-K400 PolarHBondContact O-N 2.73Å | ||
| 399 | T | 35.6 | Very low | 53 | Low | 136 Ų | 136 | 103.5 Ų | 103.5 | 83% | 0.834 | 54% | 0.541 | S | S | * | . | trans | -69.4 | 22.5 | 176 | 51 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 400 | K | 39.4 | Very low | 53.2 | Low | 165 Ų | 165 | 98.3 Ų | 98.3 | 72% | 0.717 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -134.6 | 124.4 | 172.1 | -69.7 | -175.4 | 179.9 | 179.1 | 0 | 107.9 | D398 S402 | D398-K400 PolarHBondContact O-N 2.73Å; K400-S402 PolarHBondContact O-N 3.34Å |
| 401 | K | 33.2 | Very low | 54 | Low | 224 Ų | 224 | 95.8 Ų | 95.8 | 97% | 0.974 | 51% | 0.512 | S | S | * | . | trans | -58.6 | 68.9 | 178.3 | -65.9 | 174.8 | 172.3 | 179.2 | 0 | 112.5 | ||||
| 402 | S | 34.7 | Very low | 54.7 | Low | 94 Ų | 94 | 92.3 Ų | 92.3 | 66% | 0.657 | 50% | 0.495 | S | S | * | . | trans | -91.6 | 115.4 | 154 | 50.1 | 0 | 0 | 0 | 0 | 106.5 | K400 T404 | K400-S402 PolarHBondContact O-N 3.34Å; S402-T404 PolarHBondContact O-N 3.35Å | ||
| 403 | D | 37.5 | Very low | 55.9 | Low | 151 Ų | 151 | 91.9 Ų | 91.9 | 81% | 0.807 | 49% | 0.488 | S | S | * | . | trans | -37.7 | 135.6 | 171.9 | -71.6 | -48 | 0 | 0 | 0 | 111.2 | ||||
| 404 | T | 49.1 | Very low | 57.5 | Low | 91 Ų | 91 | 87.4 Ų | 87.4 | 56% | 0.558 | 47% | 0.469 | S | S | * | . | S | Bend | trans | 2.3 | 121.9 | 163.1 | 54.3 | 0 | 0 | 0 | 0 | 114.4 | S402 K408 | S402-T404 PolarHBondContact O-N 3.35Å; T404-K408 WeakPolarHBondContact OG1-CE 3.3Å |
| 405 | G | 53.8 | Low | 59.2 | Low | 37 Ų | 37 | 83.9 Ų | 83.9 | 38% | 0.381 | 45% | 0.445 | S | S | . | . | trans | -38.2 | 151.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | I407 | G405-I407 CarbonylContact O-C 3.55Å; G405-I407 PolarHBondContact O-N 3.1Å | ||
| 406 | P | 60.6 | Low | 61.3 | Low | 48 Ų | 48 | 80 Ų | 80 | 31% | 0.312 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -57.1 | -15.2 | -167.7 | 23.1 | -33.7 | 0 | 0 | 0 | 114.5 | L269 I341 R345 | L269-P406 HydrophobicContact CD1-CG 3.58Å; I341-P406 HydrophobicContact CG2-CB 4.23Å; R345-P406 PolarHBondContact NH2-O 3.12Å |
| 407 | I | 69.3 | Low | 63.5 | Low | 12 Ų | 12 | 74.9 Ų | 74.9 | 6% | 0.062 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -120.8 | 107 | 177.9 | -57.1 | 171.9 | 0 | 0 | 0 | 108.7 | L261 L264 L344 W348 G405 | L261-I407 HydrophobicContact CD1-CB 4.01Å; L261-I407 HydrophobicContact CD1-CD1 4.48Å; L261-I407 HydrophobicContact CD1-CG2 3.77Å; L264-I407 HydrophobicContact CD2-CD1 3.82Å; L344-I407 HydrophobicContact CB-CD1 4.46Å; W348-I407 HydrophobicContact CB-CD1 4.45Å; W348-I407 HydrophobicContact CD2-CG2 4.44Å; W348-I407 HydrophobicContact CG-CG2 3.92Å; G405-I407 CarbonylContact O-C 3.55Å; G405-I407 PolarHBondContact O-N 3.1Å |
| 408 | K | 72.5 | Confident | 65.5 | Low | 153 Ų | 153 | 71.8 Ų | 71.8 | 67% | 0.665 | 38% | 0.377 | S | S | * | . | trans | -81.8 | 134.2 | 175.1 | -67.5 | -177.5 | 177 | -178.5 | 0 | 110.3 | T404 | T404-K408 WeakPolarHBondContact OG1-CE 3.3Š| ||
| 409 | F | 79.2 | Confident | 67.8 | Low | 22 Ų | 22 | 67.6 Ų | 67.6 | 10% | 0.096 | 35% | 0.354 | C | S | . | . | trans | -146.5 | 120.1 | 175.1 | 179.2 | -132.2 | 0 | 0 | 0 | 110.8 | M257 L258 L261 W348 R352 I356 I411 E414 | M257-F409 HydrophobicContact CB-CE1 4.22Å; M257-F409 HydrophobicContact CE-CE1 4.07Å; M257-F409 HydrophobicContact CE-CZ 3.55Å; M257-F409 HydrophobicContact SD-CZ 4.5Å; L258-F409 HydrophobicContact CD2-CD1 4.32Å; L261-F409 HydrophobicContact CD2-CB 3.65Å; L261-F409 HydrophobicContact CD2-CD1 4.29Å; L261-F409 HydrophobicContact CD2-CG 4.45Å; W348-F409 HydrophobicContact CH2-CD1 4.02Å; W348-F409 HydrophobicContact CH2-CE1 4.1Å; W348-F409 HydrophobicContact CZ2-CB 4.06Å; W348-F409 AromaticContact CZ2-CD1 3.6Å; W348-F409 HydrophobicContact CZ2-CD1 3.6Å; W348-F409 HydrophobicContact CZ2-CD2 4.12Å; W348-F409 AromaticContact CZ2-CE1 3.94Å; W348-F409 HydrophobicContact CZ2-CE1 3.94Å; W348-F409 HydrophobicContact CZ2-CE2 4.47Å; W348-F409 AromaticContact CZ2-CG 3.68Å; W348-F409 HydrophobicContact CZ2-CG 3.68Å; W348-F409 HydrophobicContact CZ2-CZ 4.39Å; R352-F409 HydrophobicContact CG-CE2 4.06Å; I356-F409 HydrophobicContact CD1-CE2 4.38Å; F409-I411 HydrophobicContact CD1-CD1 4.32Å; F409-I411 HydrophobicContact CD1-CG1 3.72Å; F409-I411 HydrophobicContact CE1-CB 4.42Å; F409-I411 HydrophobicContact CE1-CD1 3.59Å; F409-I411 HydrophobicContact CE1-CG1 3.06Å; F409-I411 HydrophobicContact CE2-CG1 4.27Å; F409-I411 HydrophobicContact CZ-CB 4.44Å; F409-I411 HydrophobicContact CZ-CD1 4.22Å; F409-I411 HydrophobicContact CZ-CG1 3.37Å; F409-E414 WeakPolarHBondContact CD2-OE2 3.24Å; F409-E414 WeakPolarHBondContact CE2-OE2 3.46Å | ||
| 410 | D | 81.9 | Confident | 70.3 | Confident | 43 Ų | 43 | 61.1 Ų | 61.1 | 23% | 0.23 | 32% | 0.315 | C | S | . | . | trans | -113.2 | 98.2 | 174.2 | -169.4 | -9.8 | 0 | 0 | 0 | 110.4 | W412 M413 E414 | D410-W412 PolarHBondContact O-N 3.38Å; D410-W412 WeakPolarHBondContact OD1-CB 3.34Å; D410-W412 PolarHBondContact OD1-N 3.4Å; D410-M413 HydrophobicContact CB-CB 4.26Å; D410-M413 HydrophobicContact CB-CG 4.45Å; D410-M413 PolarHBondContact O-N 2.94Å; D410-M413 WeakPolarHBondContact OD2-CG 3.29Å; D410-E414 PolarHBondContact N-OE1 2.78Å; D410-E414 WeakPolarHBondContact O-CB 3.29Å; D410-E414 VanDerWaalsContact O-CG 3.3Å; D410-E414 WeakPolarHBondContact O-CG 3.39Å; D410-E414 PolarHBondContact O-N 3.29Å | ||
| 411 | I | 84.6 | Confident | 72.6 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.1 | -34.1 | 178.9 | -69.6 | -177.6 | 0 | 0 | 0 | 112 | V254 M257 L258 F409 L415 L416 | V254-I411 HydrophobicContact CG1-CD1 4.16Å; V254-I411 HydrophobicContact CG1-CG2 4.43Å; V254-I411 HydrophobicContact CG2-CG2 4.16Å; M257-I411 HydrophobicContact CB-CD1 3.82Å; L258-I411 HydrophobicContact CB-CD1 4.47Å; L258-I411 HydrophobicContact CD1-CD1 4.09Å; L258-I411 HydrophobicContact CD2-CD1 3.36Å; L258-I411 HydrophobicContact CD2-CG1 3.91Å; L258-I411 HydrophobicContact CG-CD1 3.33Å; L258-I411 HydrophobicContact CG-CG1 4.38Å; F409-I411 HydrophobicContact CD1-CD1 4.32Å; F409-I411 HydrophobicContact CD1-CG1 3.72Å; F409-I411 HydrophobicContact CE1-CB 4.42Å; F409-I411 HydrophobicContact CE1-CD1 3.59Å; F409-I411 HydrophobicContact CE1-CG1 3.06Å; F409-I411 HydrophobicContact CE2-CG1 4.27Å; F409-I411 HydrophobicContact CZ-CB 4.44Å; F409-I411 HydrophobicContact CZ-CD1 4.22Å; F409-I411 HydrophobicContact CZ-CG1 3.37Å; I411-L415 PolarHBondContact O-N 2.81Å; I411-L415 VanDerWaalsContact O-N 3.14Å; I411-L416 HydrophobicContact CG2-CD1 3.79Å; I411-L416 HydrophobicContact CG2-CG 3.87Å; I411-L416 PolarHBondContact O-N 3.02Å; I411-L416 VanDerWaalsContact O-N 3.16Å |
| 412 | W | 84.5 | Confident | 75.3 | Confident | 8 Ų | 8 | 49.4 Ų | 49.4 | 3% | 0.03 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -64.7 | -55.7 | -178.4 | -175 | -102.7 | 0 | 0 | 0 | 109.7 | R380 A383 L384 V387 D410 E414 L416 R417 F420 D633 | R380-W412 HydrophobicContact CG-CH2 3.83Å; R380-W412 HydrophobicContact CG-CZ2 4.35Å; A383-W412 HydrophobicContact CB-CZ3 3.96Å; L384-W412 HydrophobicContact CD1-CH2 4.42Å; L384-W412 HydrophobicContact CD1-CZ2 4.34Å; L384-W412 HydrophobicContact CD2-CD2 3.54Å; L384-W412 VanDerWaalsContact CD2-CE2 3.45Å; L384-W412 HydrophobicContact CD2-CE3 3.77Å; L384-W412 HydrophobicContact CD2-CG 4.17Å; L384-W412 HydrophobicContact CD2-CH2 3.98Å; L384-W412 HydrophobicContact CD2-CZ2 3.69Å; L384-W412 HydrophobicContact CD2-CZ3 3.99Å; L384-W412 HydrophobicContact CG-CD2 4.39Å; L384-W412 HydrophobicContact CG-CE3 4.2Å; L384-W412 HydrophobicContact CG-CH2 3.85Å; L384-W412 HydrophobicContact CG-CZ2 3.98Å; L384-W412 HydrophobicContact CG-CZ3 3.93Å; V387-W412 HydrophobicContact CG1-CB 4.38Å; D410-W412 PolarHBondContact O-N 3.38Å; D410-W412 WeakPolarHBondContact OD1-CB 3.34Å; D410-W412 PolarHBondContact OD1-N 3.4Å; W412-E414 PolarHBondContact O-N 3.36Å; W412-L416 HydrophobicContact CD2-CB 4.31Å; W412-L416 HydrophobicContact CE3-CB 3.65Å; W412-L416 HydrophobicContact CE3-CD1 3.82Å; W412-L416 HydrophobicContact CE3-CG 4.38Å; W412-L416 HydrophobicContact CZ3-CB 3.77Å; W412-L416 HydrophobicContact CZ3-CD1 4.09Å; W412-L416 PolarHBondContact O-N 3.03Å; W412-R417 WeakPolarHBondContact O-CB 3.22Å; W412-R417 PolarHBondContact O-N 3.23Å; W412-F420 AromaticContact CH2-CD2 3.78Å; W412-F420 HydrophobicContact CH2-CD2 3.78Å; W412-F420 HydrophobicContact CH2-CE2 4.27Å; W412-F420 HydrophobicContact CH2-CG 4.33Å; W412-F420 HydrophobicContact CZ3-CD2 4.02Å; W412-F420 HydrophobicContact CZ3-CE2 4.15Å; W412-D633 WeakPolarHBondContact CZ2-OD2 3.3Å; W412-D633 PolarHBondContact NE1-OD2 3.48Å |
| 413 | M | 83.1 | Confident | 77.9 | Confident | 68 Ų | 68 | 47.3 Ų | 47.3 | 34% | 0.335 | 24% | 0.244 | S | C | . | . | I | π-helix | trans | -66 | -36.1 | -175.6 | -68.9 | -59 | -67.6 | 0 | 0 | 113.2 | D410 | D410-M413 HydrophobicContact CB-CB 4.26Å; D410-M413 HydrophobicContact CB-CG 4.45Å; D410-M413 PolarHBondContact O-N 2.94Å; D410-M413 WeakPolarHBondContact OD2-CG 3.29Å |
| 414 | E | 84.7 | Confident | 80.3 | Confident | 40 Ų | 40 | 40.3 Ų | 40.3 | 19% | 0.187 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -92.1 | -27.5 | -170.5 | -62.1 | 176.3 | -158.2 | 0 | 0 | 114.6 | R352 I356 R360 F409 D410 W412 | R352-E414 IonicContact CZ-OE1 3.03Å; R352-E414 IonicContact CZ-OE2 3.84Å; R352-E414 IonicContact NE-OE1 2.68Å; R352-E414 IonicContact NE-OE2 2.87Å; R352-E414 PolarHBondContact NE-OE2 3.36Å; R352-E414 IonicContact NH2-OE1 2.61Å; R352-E414 PolarHBondContact NH2-OE1 3.49Å; R352-E414 IonicContact NH2-OE2 3.5Å; R352-E414 PolarHBondContact NH2-OE2 2.76Å; I356-E414 HydrophobicContact CD1-CB 4.24Å; R360-E414 PolarHBondContact NH2-O 3.1Å; F409-E414 WeakPolarHBondContact CD2-OE2 3.24Å; F409-E414 WeakPolarHBondContact CE2-OE2 3.46Å; D410-E414 PolarHBondContact N-OE1 2.78Å; D410-E414 WeakPolarHBondContact O-CB 3.29Å; D410-E414 VanDerWaalsContact O-CG 3.3Å; D410-E414 WeakPolarHBondContact O-CG 3.39Å; D410-E414 PolarHBondContact O-N 3.29Å; W412-E414 PolarHBondContact O-N 3.36Å |
| 415 | L | 86.9 | Confident | 82.2 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -122.3 | -55.8 | -175 | 177.7 | 63 | 0 | 0 | 0 | 112.1 | M257 I356 C359 R360 L363 I411 L419 | M257-L415 HydrophobicContact SD-CD2 4.03Å; I356-L415 HydrophobicContact CG2-CD1 4.21Å; C359-L415 HydrophobicContact CB-CD1 3.63Å; C359-L415 HydrophobicContact CB-CD2 3.76Å; C359-L415 HydrophobicContact CB-CG 4.33Å; R360-L415 HydrophobicContact CG-CD1 3.71Å; L363-L415 HydrophobicContact CD1-CD2 4.44Å; I411-L415 PolarHBondContact O-N 2.81Å; I411-L415 VanDerWaalsContact O-N 3.14Å; L415-L419 HydrophobicContact CD1-CD1 3.94Å; L415-L419 HydrophobicContact CG-CD1 4.29Å; L415-L419 WeakPolarHBondContact O-CD1 3.41Å; L415-L419 VanDerWaalsContact O-CG 3.3Å; L415-L419 WeakPolarHBondContact O-CG 3.37Å |
| 416 | L | 87.4 | Confident | 83.9 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -79.6 | -39 | -164.8 | -60.1 | -178.3 | 0 | 0 | 0 | 113.2 | L250 V254 V387 I411 W412 D418 L419 F420 | L250-L416 HydrophobicContact CD1-CD2 3.5Å; V254-L416 HydrophobicContact CG2-CD1 3.83Å; V387-L416 HydrophobicContact CG2-CD1 4.28Å; I411-L416 HydrophobicContact CG2-CD1 3.79Å; I411-L416 HydrophobicContact CG2-CG 3.87Å; I411-L416 PolarHBondContact O-N 3.02Å; I411-L416 VanDerWaalsContact O-N 3.16Å; W412-L416 HydrophobicContact CD2-CB 4.31Å; W412-L416 HydrophobicContact CE3-CB 3.65Å; W412-L416 HydrophobicContact CE3-CD1 3.82Å; W412-L416 HydrophobicContact CE3-CG 4.38Å; W412-L416 HydrophobicContact CZ3-CB 3.77Å; W412-L416 HydrophobicContact CZ3-CD1 4.09Å; W412-L416 PolarHBondContact O-N 3.03Å; L416-D418 PolarHBondContact O-N 3.36Å; L416-L419 PolarHBondContact O-N 2.95Å; L416-F420 HydrophobicContact CB-CD2 4.18Å; L416-F420 HydrophobicContact CB-CE2 4.35Å; L416-F420 VanDerWaalsContact O-CD2 3.29Å; L416-F420 WeakPolarHBondContact O-CD2 3.49Å; L416-F420 PolarHBondContact O-N 2.97Å |
| 417 | R | 88.1 | Confident | 85.2 | Confident | 52 Ų | 52 | 40.2 Ų | 40.2 | 20% | 0.196 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -53 | -55.6 | -174.9 | 177.2 | 175 | -173.8 | -126.8 | 10.8 | 111.7 | W412 L419 F420 L421 D633 N636 | W412-R417 WeakPolarHBondContact O-CB 3.22Å; W412-R417 PolarHBondContact O-N 3.23Å; R417-L419 VanDerWaalsContact C-N 3.34Å; R417-L419 PolarHBondContact O-N 3.41Å; R417-F420 PolarHBondContact O-N 3.38Å; R417-L421 HydrophobicContact CG-CD1 3.65Å; R417-L421 HydrophobicContact CG-CG 4.41Å; R417-L421 WeakPolarHBondContact O-CB 3.22Å; R417-L421 WeakPolarHBondContact O-CG 3.26Å; R417-L421 PolarHBondContact O-N 2.82Å; R417-D633 VanDerWaalsContact CD-OD1 3.23Å; R417-D633 WeakPolarHBondContact CD-OD1 3.15Å; R417-D633 WeakPolarHBondContact CG-OD1 3.37Å; R417-D633 IonicContact CZ-OD1 2.63Å; R417-D633 IonicContact NE-OD1 3.08Å; R417-D633 PolarHBondContact NE-OD1 2.62Å; R417-N636 VanDerWaalsContact CZ-ND2 3.27Å; R417-N636 PolarHBondContact NH2-ND2 3.08Å |
| 418 | D | 87.7 | Confident | 86.1 | Confident | 62 Ų | 62 | 39.6 Ų | 39.6 | 33% | 0.332 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.3 | -39.9 | -177.3 | -63 | -19.4 | 0 | 0 | 0 | 111.9 | R360 L416 L421 Q422 | R360-D418 IonicContact NH2-OD2 3.71Å; L416-D418 PolarHBondContact O-N 3.36Å; D418-L421 PolarHBondContact O-N 3.45Å; D418-Q422 WeakPolarHBondContact O-CB 3.32Å; D418-Q422 VanDerWaalsContact O-CG 3.27Å; D418-Q422 WeakPolarHBondContact O-CG 2.97Å; D418-Q422 PolarHBondContact O-N 3.19Å |
| 419 | L | 89.2 | Confident | 86.8 | Confident | 11 Ų | 11 | 33.4 Ų | 33.4 | 6% | 0.058 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.3 | -43.9 | 178.8 | -67.3 | 174.6 | 0 | 0 | 0 | 112.2 | R360 L363 L367 L415 L416 R417 R423 | R360-L419 HydrophobicContact CB-CD2 4.42Å; R360-L419 HydrophobicContact CG-CD2 4.37Å; L363-L419 HydrophobicContact CB-CD1 3.88Å; L363-L419 HydrophobicContact CD1-CD1 4.19Å; L367-L419 HydrophobicContact CD1-CB 3.88Å; L415-L419 HydrophobicContact CD1-CD1 3.94Å; L415-L419 HydrophobicContact CG-CD1 4.29Å; L415-L419 WeakPolarHBondContact O-CD1 3.41Å; L415-L419 VanDerWaalsContact O-CG 3.3Å; L415-L419 WeakPolarHBondContact O-CG 3.37Å; L416-L419 PolarHBondContact O-N 2.95Å; R417-L419 VanDerWaalsContact C-N 3.34Å; R417-L419 PolarHBondContact O-N 3.41Å; L419-R423 PolarHBondContact O-N 3.41Å |
| 420 | F | 89.5 | Confident | 87.3 | Confident | 1 Ų | 1 | 36 Ų | 36 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.6 | -42.7 | 176.8 | -83.8 | -74.8 | 0 | 0 | 0 | 111.7 | L250 L367 L376 L379 R380 A383 W412 L416 R417 R423 L424 | L250-F420 HydrophobicContact CD2-CE2 3.99Å; L250-F420 HydrophobicContact CD2-CZ 3.7Å; L367-F420 HydrophobicContact CD2-CE1 4.24Å; L376-F420 HydrophobicContact CD1-CD1 3.86Å; L376-F420 HydrophobicContact CD1-CE1 3.97Å; L376-F420 HydrophobicContact CG-CD1 4.4Å; L379-F420 HydrophobicContact CB-CE1 3.97Å; L379-F420 HydrophobicContact CB-CZ 4.29Å; R380-F420 HydrophobicContact CB-CD1 3.79Å; R380-F420 HydrophobicContact CB-CE1 3.86Å; R380-F420 HydrophobicContact CB-CG 4.31Å; R380-F420 HydrophobicContact CB-CZ 4.45Å; A383-F420 HydrophobicContact CB-CE2 4.16Å; A383-F420 HydrophobicContact CB-CZ 4.27Å; W412-F420 AromaticContact CH2-CD2 3.78Å; W412-F420 HydrophobicContact CH2-CD2 3.78Å; W412-F420 HydrophobicContact CH2-CE2 4.27Å; W412-F420 HydrophobicContact CH2-CG 4.33Å; W412-F420 HydrophobicContact CZ3-CD2 4.02Å; W412-F420 HydrophobicContact CZ3-CE2 4.15Å; L416-F420 HydrophobicContact CB-CD2 4.18Å; L416-F420 HydrophobicContact CB-CE2 4.35Å; L416-F420 VanDerWaalsContact O-CD2 3.29Å; L416-F420 WeakPolarHBondContact O-CD2 3.49Å; L416-F420 PolarHBondContact O-N 2.97Å; R417-F420 PolarHBondContact O-N 3.38Å; F420-R423 PolarHBondContact O-N 3.34Å; F420-L424 HydrophobicContact CB-CD1 4.45Å; F420-L424 WeakPolarHBondContact O-CB 3.29Å; F420-L424 WeakPolarHBondContact O-CG 3.28Å; F420-L424 PolarHBondContact O-N 3.23Å |
| 421 | L | 87.5 | Confident | 87.5 | Confident | 23 Ų | 23 | 34.5 Ų | 34.5 | 12% | 0.12 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.1 | -44.3 | -178.9 | -73.4 | 173 | 0 | 0 | 0 | 112.1 | R417 D418 R423 L424 E425 N636 I637 | R417-L421 HydrophobicContact CG-CD1 3.65Å; R417-L421 HydrophobicContact CG-CG 4.41Å; R417-L421 WeakPolarHBondContact O-CB 3.22Å; R417-L421 WeakPolarHBondContact O-CG 3.26Å; R417-L421 PolarHBondContact O-N 2.82Å; D418-L421 PolarHBondContact O-N 3.45Å; L421-R423 VanDerWaalsContact C-N 3.34Å; L421-R423 PolarHBondContact O-N 3.04Å; L421-L424 PolarHBondContact O-N 2.84Å; L421-E425 WeakPolarHBondContact O-CB 3.42Å; L421-E425 PolarHBondContact O-N 3.31Å; L421-N636 HydrophobicContact CD1-CB 3.83Å; L421-N636 WeakPolarHBondContact CD1-ND2 3.34Å; L421-N636 HydrophobicContact CD2-CB 3.87Å; L421-I637 HydrophobicContact CD2-CG1 4.37Å |
| 422 | Q | 88.6 | Confident | 87.5 | Confident | 120 Ų | 120 | 34.6 Ų | 34.6 | 56% | 0.561 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -59.6 | -43.9 | 176.7 | -74 | 174.6 | 2.5 | 0 | 0 | 112 | D418 V426 | D418-Q422 WeakPolarHBondContact O-CB 3.32Å; D418-Q422 VanDerWaalsContact O-CG 3.27Å; D418-Q422 WeakPolarHBondContact O-CG 2.97Å; D418-Q422 PolarHBondContact O-N 3.19Å; Q422-V426 PolarHBondContact O-N 3.09Å |
| 423 | R | 90.5 | Very high | 87.7 | Confident | 50 Ų | 50 | 36.2 Ų | 36.2 | 19% | 0.189 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -74.8 | -35.8 | 179.7 | -170 | 63.4 | -179.2 | 165.4 | 0.4 | 112.3 | L367 S368 V370 L376 L419 F420 L421 E425 V426 L427 | L367-R423 HydrophobicContact CB-CG 4.49Å; L367-R423 PolarHBondContact O-NE 3.44Å; L367-R423 VanDerWaalsContact O-NE 3.1Å; S368-R423 PolarHBondContact O-NH2 3.41Å; V370-R423 PolarHBondContact O-NE 3.43Å; V370-R423 PolarHBondContact O-NH2 3Å; L376-R423 HydrophobicContact CD1-CB 4.43Å; L376-R423 HydrophobicContact CD1-CG 4.11Å; L376-R423 HydrophobicContact CD2-CB 3.92Å; L376-R423 HydrophobicContact CD2-CG 3.64Å; L419-R423 PolarHBondContact O-N 3.41Å; F420-R423 PolarHBondContact O-N 3.34Å; L421-R423 VanDerWaalsContact C-N 3.34Å; L421-R423 PolarHBondContact O-N 3.04Å; R423-E425 VanDerWaalsContact C-N 3.32Å; R423-V426 PolarHBondContact O-N 3.28Å; R423-L427 HydrophobicContact CG-CD1 4.35Å; R423-L427 PolarHBondContact O-N 3.44Å |
| 424 | L | 88.5 | Confident | 88.1 | Confident | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.3 | -42.2 | 174.1 | -80.7 | 167.4 | 0 | 0 | 0 | 110.5 | F373 L376 V377 F420 L421 V426 L427 F428 L626 L640 | F373-L424 HydrophobicContact CD2-CD2 4.45Å; F373-L424 HydrophobicContact CE2-CD2 4.06Å; L376-L424 HydrophobicContact CD2-CB 4.34Å; L376-L424 HydrophobicContact CD2-CD2 3.7Å; L376-L424 HydrophobicContact CD2-CG 3.73Å; L376-L424 HydrophobicContact CG-CD2 4.13Å; L376-L424 HydrophobicContact CG-CG 4.32Å; V377-L424 HydrophobicContact CG2-CD2 4.11Å; F420-L424 HydrophobicContact CB-CD1 4.45Å; F420-L424 WeakPolarHBondContact O-CB 3.29Å; F420-L424 WeakPolarHBondContact O-CG 3.28Å; F420-L424 PolarHBondContact O-N 3.23Å; L421-L424 PolarHBondContact O-N 2.84Å; L424-V426 VanDerWaalsContact C-N 3.33Å; L424-V426 PolarHBondContact O-N 3.44Å; L424-L427 PolarHBondContact O-N 3.05Å; L424-F428 WeakPolarHBondContact O-CA 3.33Å; L424-F428 WeakPolarHBondContact O-CB 3.34Å; L424-F428 PolarHBondContact O-N 2.89Å; L424-L626 HydrophobicContact CD2-CD1 4.11Å; L424-L640 HydrophobicContact CB-CD2 4.27Å |
| 425 | E | 89 | Confident | 88.3 | Confident | 109 Ų | 109 | 38 Ų | 38 | 51% | 0.509 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -56 | -48.7 | 177.8 | 178.4 | 173.3 | -169.6 | 0 | 0 | 111.5 | L421 R423 T429 L640 | L421-E425 WeakPolarHBondContact O-CB 3.42Å; L421-E425 PolarHBondContact O-N 3.31Å; R423-E425 VanDerWaalsContact C-N 3.32Å; E425-T429 VanDerWaalsContact O-CB 3.3Å; E425-T429 WeakPolarHBondContact O-CB 3.32Å; E425-T429 WeakPolarHBondContact O-CG2 3.14Å; E425-T429 PolarHBondContact O-N 3.25Å; E425-T429 VanDerWaalsContact O-N 3.09Å; E425-T429 PolarHBondContact O-OG1 3.04Å; E425-L640 HydrophobicContact CB-CD1 3.85Å; E425-L640 HydrophobicContact CG-CD1 3.75Å |
| 426 | V | 88.4 | Confident | 88.5 | Confident | 58 Ų | 58 | 38 Ų | 38 | 35% | 0.352 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.4 | -55.8 | 178 | 177.1 | 0 | 0 | 0 | 0 | 111.7 | Q422 R423 L424 F428 T429 E430 | Q422-V426 PolarHBondContact O-N 3.09Å; R423-V426 PolarHBondContact O-N 3.28Å; L424-V426 VanDerWaalsContact C-N 3.33Å; L424-V426 PolarHBondContact O-N 3.44Å; V426-F428 PolarHBondContact O-N 3.29Å; V426-T429 PolarHBondContact O-OG1 3.01Å; V426-T429 VanDerWaalsContact O-OG1 3.04Å; V426-E430 WeakPolarHBondContact CG1-OE1 3.28Å; V426-E430 WeakPolarHBondContact O-CB 3.45Å; V426-E430 VanDerWaalsContact O-CG 3.31Å; V426-E430 WeakPolarHBondContact O-CG 3.36Å; V426-E430 PolarHBondContact O-N 3.42Å |
| 427 | L | 88 | Confident | 88.7 | Confident | 6 Ų | 6 | 40.6 Ų | 40.6 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.3 | -36 | -173.7 | -66.2 | -175 | 0 | 0 | 0 | 113 | V370 S371 F373 L376 R423 L424 S431 | V370-L427 WeakPolarHBondContact O-CD1 3.18Å; S371-L427 WeakPolarHBondContact O-CD2 3.35Å; F373-L427 HydrophobicContact CB-CB 4.38Å; L376-L427 HydrophobicContact CB-CD1 4.18Å; L376-L427 HydrophobicContact CD2-CD1 3.81Å; R423-L427 HydrophobicContact CG-CD1 4.35Å; R423-L427 PolarHBondContact O-N 3.44Å; L424-L427 PolarHBondContact O-N 3.05Å; L427-S431 WeakPolarHBondContact O-CB 3.48Å; L427-S431 PolarHBondContact O-N 3.35Å; L427-S431 PolarHBondContact O-OG 2.67Å |
| 428 | F | 88.3 | Confident | 88.9 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.7 | -46.8 | 179.4 | -175.1 | -102.6 | 0 | 0 | 0 | 110.8 | F373 L424 V426 E430 S431 F432 H622 I623 L626 L640 V641 A644 | F373-F428 HydrophobicContact CD2-CB 4.33Å; F373-F428 HydrophobicContact CD2-CD2 4.33Å; F373-F428 HydrophobicContact CE1-CD2 4.49Å; F373-F428 HydrophobicContact CE2-CB 4.11Å; F373-F428 AromaticContact CE2-CD2 3.58Å; F373-F428 HydrophobicContact CE2-CD2 3.58Å; F373-F428 HydrophobicContact CE2-CG 4.32Å; F373-F428 AromaticContact CZ-CD2 3.68Å; F373-F428 HydrophobicContact CZ-CD2 3.68Å; F373-F428 HydrophobicContact CZ-CE2 4.19Å; L424-F428 WeakPolarHBondContact O-CA 3.33Å; L424-F428 WeakPolarHBondContact O-CB 3.34Å; L424-F428 PolarHBondContact O-N 2.89Å; V426-F428 PolarHBondContact O-N 3.29Å; F428-E430 PolarHBondContact O-N 2.73Å; F428-S431 WeakPolarHBondContact CA-OG 3.43Å; F428-S431 PolarHBondContact O-N 2.8Å; F428-S431 PolarHBondContact O-OG 3.41Å; F428-F432 HydrophobicContact CD1-CD2 4.14Å; F428-F432 HydrophobicContact CD1-CE2 4.36Å; F428-F432 HydrophobicContact CD2-CD2 4.2Å; F428-F432 HydrophobicContact CD2-CE2 4.12Å; F428-F432 AromaticContact CE1-CD2 3.72Å; F428-F432 HydrophobicContact CE1-CD2 3.72Å; F428-F432 AromaticContact CE1-CE2 3.57Å; F428-F432 HydrophobicContact CE1-CE2 3.57Å; F428-F432 HydrophobicContact CE1-CG 4.43Å; F428-F432 HydrophobicContact CE1-CZ 4.11Å; F428-F432 AromaticContact CE2-CD2 3.85Å; F428-F432 HydrophobicContact CE2-CD2 3.85Å; F428-F432 AromaticContact CE2-CE2 3.32Å; F428-F432 HydrophobicContact CE2-CE2 3.32Å; F428-F432 HydrophobicContact CE2-CZ 4.26Å; F428-F432 HydrophobicContact CG-CD2 4.37Å; F428-F432 AromaticContact CZ-CD2 3.6Å; F428-F432 HydrophobicContact CZ-CD2 3.6Å; F428-F432 AromaticContact CZ-CE2 3Å; F428-F432 HydrophobicContact CZ-CE2 3Å; F428-F432 AromaticContact CZ-CZ 3.59Å; F428-F432 HydrophobicContact CZ-CZ 3.59Å; F428-F432 PolarHBondContact O-N 3.14Å; F428-H622 HydrophobicContact CE2-CB 4.19Å; F428-I623 HydrophobicContact CZ-CG1 4.46Å; F428-L626 HydrophobicContact CD2-CD1 3.75Å; F428-L626 HydrophobicContact CD2-CD2 4.25Å; F428-L626 HydrophobicContact CD2-CG 4.41Å; F428-L626 HydrophobicContact CE1-CD2 4.34Å; F428-L626 HydrophobicContact CE2-CB 4.08Å; F428-L626 HydrophobicContact CE2-CD1 4.05Å; F428-L626 HydrophobicContact CE2-CD2 3.81Å; F428-L626 HydrophobicContact CE2-CG 4.22Å; F428-L626 HydrophobicContact CG-CD1 4.18Å; F428-L626 HydrophobicContact CZ-CD2 3.85Å; F428-L640 HydrophobicContact CB-CD2 4.14Å; F428-L640 HydrophobicContact CD1-CD1 4.39Å; F428-L640 HydrophobicContact CD1-CD2 4.14Å; F428-L640 HydrophobicContact CD1-CG 3.89Å; F428-L640 HydrophobicContact CE1-CG 4.49Å; F428-L640 HydrophobicContact CG-CD2 4.33Å; F428-V641 HydrophobicContact CE1-CG2 4.1Å; F428-V641 HydrophobicContact CZ-CG2 3.89Å; F428-A644 HydrophobicContact CD1-CB 3.9Å; F428-A644 HydrophobicContact CE1-CB 3.77Å |
| 429 | T | 87.5 | Confident | 89.2 | Confident | 22 Ų | 22 | 39.9 Ų | 39.9 | 14% | 0.135 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.2 | -43.6 | 175.9 | 54.7 | 0 | 0 | 0 | 0 | 111.4 | E425 V426 S431 F432 E433 L640 A644 | E425-T429 VanDerWaalsContact O-CB 3.3Å; E425-T429 WeakPolarHBondContact O-CB 3.32Å; E425-T429 WeakPolarHBondContact O-CG2 3.14Å; E425-T429 PolarHBondContact O-N 3.25Å; E425-T429 VanDerWaalsContact O-N 3.09Å; E425-T429 PolarHBondContact O-OG1 3.04Å; V426-T429 PolarHBondContact O-OG1 3.01Å; V426-T429 VanDerWaalsContact O-OG1 3.04Å; T429-S431 VanDerWaalsContact C-N 3.35Å; T429-S431 PolarHBondContact O-N 3.24Å; T429-F432 PolarHBondContact O-N 2.78Å; T429-E433 WeakPolarHBondContact O-CB 3.09Å; T429-E433 VanDerWaalsContact O-CG 3.31Å; T429-E433 WeakPolarHBondContact O-CG 3.5Å; T429-E433 PolarHBondContact O-N 3.07Å; T429-L640 HydrophobicContact CG2-CD1 4.22Å; T429-A644 HydrophobicContact CG2-CB 4Å |
| 430 | E | 88.9 | Confident | 89.3 | Confident | 76 Ų | 76 | 39.7 Ų | 39.7 | 36% | 0.355 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60.5 | -40.2 | 173.8 | -76.7 | -179.6 | -163.6 | 0 | 0 | 112.9 | V426 F428 K434 | V426-E430 WeakPolarHBondContact CG1-OE1 3.28Å; V426-E430 WeakPolarHBondContact O-CB 3.45Å; V426-E430 VanDerWaalsContact O-CG 3.31Å; V426-E430 WeakPolarHBondContact O-CG 3.36Å; V426-E430 PolarHBondContact O-N 3.42Å; F428-E430 PolarHBondContact O-N 2.73Å; E430-K434 WeakPolarHBondContact O-CB 2.93Å; E430-K434 WeakPolarHBondContact O-CD 3.29Å; E430-K434 WeakPolarHBondContact O-CG 3.23Å; E430-K434 PolarHBondContact O-N 2.64Å; E430-K434 IonicContact OE2-NZ 2.76Å |
| 431 | S | 86.8 | Confident | 89.3 | Confident | 13 Ų | 13 | 44.3 Ų | 44.3 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.5 | -38.3 | 179.1 | 71.6 | 0 | 0 | 0 | 0 | 112.6 | L427 F428 T429 S435 H622 | L427-S431 WeakPolarHBondContact O-CB 3.48Å; L427-S431 PolarHBondContact O-N 3.35Å; L427-S431 PolarHBondContact O-OG 2.67Å; F428-S431 WeakPolarHBondContact CA-OG 3.43Å; F428-S431 PolarHBondContact O-N 2.8Å; F428-S431 PolarHBondContact O-OG 3.41Å; T429-S431 VanDerWaalsContact C-N 3.35Å; T429-S431 PolarHBondContact O-N 3.24Å; S431-S435 PolarHBondContact O-N 3.07Å; S431-S435 VanDerWaalsContact O-N 3.08Å; S431-S435 PolarHBondContact O-OG 3.16Å; S431-H622 PolarHBondContact OG-CD2 3.38Å |
| 432 | F | 84.8 | Confident | 89.4 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.009 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.9 | -51 | 173.2 | -98.3 | -109.4 | 0 | 0 | 0 | 110.8 | F428 T429 K434 S435 F436 I619 H622 I623 A644 L645 | F428-F432 HydrophobicContact CD1-CD2 4.14Å; F428-F432 HydrophobicContact CD1-CE2 4.36Å; F428-F432 HydrophobicContact CD2-CD2 4.2Å; F428-F432 HydrophobicContact CD2-CE2 4.12Å; F428-F432 AromaticContact CE1-CD2 3.72Å; F428-F432 HydrophobicContact CE1-CD2 3.72Å; F428-F432 AromaticContact CE1-CE2 3.57Å; F428-F432 HydrophobicContact CE1-CE2 3.57Å; F428-F432 HydrophobicContact CE1-CG 4.43Å; F428-F432 HydrophobicContact CE1-CZ 4.11Å; F428-F432 AromaticContact CE2-CD2 3.85Å; F428-F432 HydrophobicContact CE2-CD2 3.85Å; F428-F432 AromaticContact CE2-CE2 3.32Å; F428-F432 HydrophobicContact CE2-CE2 3.32Å; F428-F432 HydrophobicContact CE2-CZ 4.26Å; F428-F432 HydrophobicContact CG-CD2 4.37Å; F428-F432 AromaticContact CZ-CD2 3.6Å; F428-F432 HydrophobicContact CZ-CD2 3.6Å; F428-F432 AromaticContact CZ-CE2 3Å; F428-F432 HydrophobicContact CZ-CE2 3Å; F428-F432 AromaticContact CZ-CZ 3.59Å; F428-F432 HydrophobicContact CZ-CZ 3.59Å; F428-F432 PolarHBondContact O-N 3.14Å; T429-F432 PolarHBondContact O-N 2.78Å; F432-K434 VanDerWaalsContact C-N 3.3Å; F432-K434 PolarHBondContact O-N 2.93Å; F432-S435 PolarHBondContact O-N 3.07Å; F432-S435 VanDerWaalsContact O-N 3.1Å; F432-F436 HydrophobicContact CD1-CE2 4.27Å; F432-F436 WeakPolarHBondContact O-CD2 3.3Å; F432-F436 PolarHBondContact O-N 2.77Å; F432-I619 HydrophobicContact CE1-CG1 4.48Å; F432-I619 HydrophobicContact CE1-CG2 4.08Å; F432-I619 HydrophobicContact CZ-CG2 4.06Å; F432-H622 HydrophobicContact CD2-CB 4.43Å; F432-H622 HydrophobicContact CE2-CB 3.74Å; F432-I623 HydrophobicContact CE2-CG1 4.33Å; F432-I623 HydrophobicContact CZ-CD1 4Å; F432-I623 HydrophobicContact CZ-CG1 3.71Å; F432-A644 HydrophobicContact CD1-CB 4.49Å; F432-A644 HydrophobicContact CG-CB 4.37Å; F432-L645 HydrophobicContact CD1-CD2 4.36Å; F432-L645 HydrophobicContact CE1-CD2 3.75Å; F432-L645 HydrophobicContact CE1-CG 4.11Å |
| 433 | E | 89 | Confident | 89.4 | Confident | 43 Ų | 43 | 40 Ų | 40 | 20% | 0.201 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.6 | -42.8 | 177.7 | -74 | 177.6 | -173.2 | 0 | 0 | 111.7 | T429 S435 F436 N437 K647 | T429-E433 WeakPolarHBondContact O-CB 3.09Å; T429-E433 VanDerWaalsContact O-CG 3.31Å; T429-E433 WeakPolarHBondContact O-CG 3.5Å; T429-E433 PolarHBondContact O-N 3.07Å; E433-S435 PolarHBondContact O-N 3.49Å; E433-F436 PolarHBondContact O-N 3.22Å; E433-N437 VanDerWaalsContact O-CB 3.23Å; E433-N437 WeakPolarHBondContact O-CB 3.46Å; E433-N437 PolarHBondContact O-N 2.76Å; E433-N437 PolarHBondContact O-ND2 2.68Å; E433-K647 VanDerWaalsContact OE1-CD 3.31Å; E433-K647 WeakPolarHBondContact OE1-CD 3.23Å; E433-K647 WeakPolarHBondContact OE1-CE 3.3Å; E433-K647 IonicContact OE1-NZ 2.79Å; E433-K647 PolarHBondContact OE1-NZ 3.28Å |
| 434 | K | 90.4 | Very high | 89.3 | Confident | 128 Ų | 128 | 39 Ų | 39 | 56% | 0.557 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -59.7 | -44.6 | 174.6 | -75.9 | 167.7 | -171.8 | 166.8 | 0 | 112.3 | E430 F432 N437 E438 | E430-K434 WeakPolarHBondContact O-CB 2.93Å; E430-K434 WeakPolarHBondContact O-CD 3.29Å; E430-K434 WeakPolarHBondContact O-CG 3.23Å; E430-K434 PolarHBondContact O-N 2.64Å; E430-K434 IonicContact OE2-NZ 2.76Å; F432-K434 VanDerWaalsContact C-N 3.3Å; F432-K434 PolarHBondContact O-N 2.93Å; K434-N437 PolarHBondContact O-N 3.06Å; K434-E438 WeakPolarHBondContact O-CB 3.42Å; K434-E438 PolarHBondContact O-N 3.33Å |
| 435 | S | 89.8 | Confident | 89.1 | Confident | 16 Ų | 16 | 45 Ų | 45 | 11% | 0.112 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.9 | -42.5 | -179.7 | -56.4 | 0 | 0 | 0 | 0 | 111.8 | S431 F432 E433 W439 L615 | S431-S435 PolarHBondContact O-N 3.07Å; S431-S435 VanDerWaalsContact O-N 3.08Å; S431-S435 PolarHBondContact O-OG 3.16Å; F432-S435 PolarHBondContact O-N 3.07Å; F432-S435 VanDerWaalsContact O-N 3.1Å; E433-S435 PolarHBondContact O-N 3.49Å; S435-W439 PolarHBondContact O-N 3.42Å; S435-L615 WeakPolarHBondContact O-CD1 3.37Å |
| 436 | F | 91.1 | Very high | 88.7 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70 | -40.9 | 175.5 | -84.7 | -90 | 0 | 0 | 0 | 112.3 | F432 E433 E438 W439 I440 L615 I619 L652 I701 | F432-F436 HydrophobicContact CD1-CE2 4.27Å; F432-F436 WeakPolarHBondContact O-CD2 3.3Å; F432-F436 PolarHBondContact O-N 2.77Å; E433-F436 PolarHBondContact O-N 3.22Å; F436-E438 VanDerWaalsContact C-N 3.34Å; F436-E438 PolarHBondContact O-N 3.39Å; F436-W439 PolarHBondContact O-N 3.41Å; F436-I440 WeakPolarHBondContact O-CB 3.38Å; F436-I440 VanDerWaalsContact O-CG1 3.25Å; F436-I440 WeakPolarHBondContact O-CG1 3.29Å; F436-I440 PolarHBondContact O-N 3.32Å; F436-L615 HydrophobicContact CD1-CD2 4.46Å; F436-L615 HydrophobicContact CE1-CD2 4.22Å; F436-L615 HydrophobicContact CG-CD1 4.49Å; F436-I619 HydrophobicContact CE2-CD1 3.63Å; F436-I619 HydrophobicContact CE2-CG1 4.33Å; F436-I619 HydrophobicContact CZ-CD1 3.71Å; F436-L652 HydrophobicContact CD1-CD1 4.08Å; F436-L652 HydrophobicContact CE1-CD1 4.37Å; F436-I701 HydrophobicContact CE1-CD1 4.3Å; F436-I701 HydrophobicContact CZ-CD1 3.98Å; F436-I701 HydrophobicContact CZ-CG1 4.42Å |
| 437 | N | 91.7 | Very high | 88.3 | Confident | 55 Ų | 55 | 37.9 Ų | 37.9 | 29% | 0.294 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.2 | -40.6 | 176.4 | -73.8 | -22.8 | 0 | 0 | 0 | 111.8 | E433 K434 W439 I440 D441 Q651 | E433-N437 VanDerWaalsContact O-CB 3.23Å; E433-N437 WeakPolarHBondContact O-CB 3.46Å; E433-N437 PolarHBondContact O-N 2.76Å; E433-N437 PolarHBondContact O-ND2 2.68Å; K434-N437 PolarHBondContact O-N 3.06Å; N437-W439 VanDerWaalsContact C-N 3.33Å; N437-W439 PolarHBondContact O-N 3.37Å; N437-I440 WeakPolarHBondContact O-CB 3.29Å; N437-I440 PolarHBondContact O-N 2.95Å; N437-D441 WeakPolarHBondContact O-CB 3.46Å; N437-D441 VanDerWaalsContact O-CG 3.3Å; N437-D441 PolarHBondContact O-N 3.06Å; N437-Q651 PolarHBondContact OD1-NE2 2.76Å |
| 438 | E | 92.3 | Very high | 87.8 | Confident | 87 Ų | 87 | 40.5 Ų | 40.5 | 41% | 0.407 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.4 | -41.6 | 175.8 | -175.4 | -177.2 | 170.6 | 0 | 0 | 111.5 | K434 F436 D441 Q442 K614 | K434-E438 WeakPolarHBondContact O-CB 3.42Å; K434-E438 PolarHBondContact O-N 3.33Å; F436-E438 VanDerWaalsContact C-N 3.34Å; F436-E438 PolarHBondContact O-N 3.39Å; E438-D441 PolarHBondContact O-N 2.79Å; E438-Q442 VanDerWaalsContact CG-NE2 3.26Å; E438-Q442 WeakPolarHBondContact O-CB 3.3Å; E438-Q442 WeakPolarHBondContact O-CG 3.45Å; E438-Q442 PolarHBondContact O-N 3.32Å; E438-Q442 PolarHBondContact OE1-NE2 3.29Å; E438-K614 WeakPolarHBondContact OE1-CE 3.45Å; E438-K614 IonicContact OE1-NZ 2.63Å; E438-K614 PolarHBondContact OE1-NZ 3.34Å |
| 439 | W | 92.9 | Very high | 86.9 | Confident | 12 Ų | 12 | 46.5 Ų | 46.5 | 5% | 0.045 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.3 | -44.3 | 173.3 | -177.9 | 91.5 | 0 | 0 | 0 | 111.5 | S435 F436 N437 D441 Q442 F443 L608 L615 L652 A690 L694 | S435-W439 PolarHBondContact O-N 3.42Å; F436-W439 PolarHBondContact O-N 3.41Å; N437-W439 VanDerWaalsContact C-N 3.33Å; N437-W439 PolarHBondContact O-N 3.37Å; W439-D441 PolarHBondContact O-N 3.03Å; W439-Q442 PolarHBondContact O-N 2.84Å; W439-F443 HydrophobicContact CE3-CB 4.46Å; W439-F443 HydrophobicContact CH2-CB 4.41Å; W439-F443 HydrophobicContact CH2-CD1 4.18Å; W439-F443 HydrophobicContact CH2-CG 4.11Å; W439-F443 HydrophobicContact CZ2-CD2 4.47Å; W439-F443 HydrophobicContact CZ2-CG 4.38Å; W439-F443 HydrophobicContact CZ3-CB 4.38Å; W439-F443 HydrophobicContact CZ3-CD1 4.35Å; W439-F443 HydrophobicContact CZ3-CG 4.42Å; W439-F443 WeakPolarHBondContact O-CB 3.45Å; W439-F443 PolarHBondContact O-N 2.77Å; W439-L608 HydrophobicContact CZ2-CD1 4.5Å; W439-L615 HydrophobicContact CB-CD1 4.2Å; W439-L615 HydrophobicContact CB-CD2 4.4Å; W439-L615 HydrophobicContact CG-CD2 4.09Å; W439-L652 HydrophobicContact CE3-CD1 4.27Å; W439-L652 HydrophobicContact CZ3-CD1 3.97Å; W439-A690 HydrophobicContact CH2-CB 4.18Å; W439-A690 HydrophobicContact CZ2-CB 4.35Å; W439-L694 HydrophobicContact CD2-CD1 4.2Å; W439-L694 HydrophobicContact CE3-CD1 4.34Å; W439-L694 HydrophobicContact CH2-CD1 3.98Å; W439-L694 HydrophobicContact CZ2-CD1 3.8Å; W439-L694 HydrophobicContact CZ3-CD1 4.24Å |
| 440 | I | 92 | Very high | 85.7 | Confident | 7 Ų | 7 | 46.8 Ų | 46.8 | 4% | 0.036 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.5 | -47.7 | 176.6 | -73.9 | 167.4 | 0 | 0 | 0 | 110.6 | F436 N437 F443 D444 W655 | F436-I440 WeakPolarHBondContact O-CB 3.38Å; F436-I440 VanDerWaalsContact O-CG1 3.25Å; F436-I440 WeakPolarHBondContact O-CG1 3.29Å; F436-I440 PolarHBondContact O-N 3.32Å; N437-I440 WeakPolarHBondContact O-CB 3.29Å; N437-I440 PolarHBondContact O-N 2.95Å; I440-F443 PolarHBondContact O-N 3.38Å; I440-D444 WeakPolarHBondContact O-CB 3.49Å; I440-D444 PolarHBondContact O-N 3.19Å; I440-W655 HydrophobicContact CD1-CB 4.3Å; I440-W655 HydrophobicContact CD1-CG 4.32Å; I440-W655 HydrophobicContact CG1-CD2 4.44Å; I440-W655 HydrophobicContact CG2-CD2 3.68Å; I440-W655 HydrophobicContact CG2-CE3 4.41Å; I440-W655 HydrophobicContact CG2-CG 3.81Å; I440-W655 HydrophobicContact CG2-CZ2 3.95Å; I440-W655 VanDerWaalsContact CG2-NE1 3.28Å |
| 441 | D | 90.1 | Very high | 84.5 | Confident | 98 Ų | 98 | 46 Ų | 46 | 52% | 0.524 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.6 | -42.5 | -178.5 | -72.4 | -20.4 | 0 | 0 | 0 | 111.8 | N437 E438 W439 D444 Q445 | N437-D441 WeakPolarHBondContact O-CB 3.46Å; N437-D441 VanDerWaalsContact O-CG 3.3Å; N437-D441 PolarHBondContact O-N 3.06Å; E438-D441 PolarHBondContact O-N 2.79Å; W439-D441 PolarHBondContact O-N 3.03Å; D441-D444 PolarHBondContact O-N 2.85Å; D441-Q445 VanDerWaalsContact O-CG 3.28Å; D441-Q445 WeakPolarHBondContact O-CG 3.39Å; D441-Q445 PolarHBondContact O-N 3.39Å |
| 442 | Q | 89.6 | Confident | 82.7 | Confident | 49 Ų | 49 | 52 Ų | 52 | 23% | 0.229 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67 | -40.5 | 176.9 | -73.3 | 169.9 | 21.1 | 0 | 0 | 111.5 | E438 W439 D444 Q445 M446 L611 | E438-Q442 VanDerWaalsContact CG-NE2 3.26Å; E438-Q442 WeakPolarHBondContact O-CB 3.3Å; E438-Q442 WeakPolarHBondContact O-CG 3.45Å; E438-Q442 PolarHBondContact O-N 3.32Å; E438-Q442 PolarHBondContact OE1-NE2 3.29Å; W439-Q442 PolarHBondContact O-N 2.84Å; Q442-D444 VanDerWaalsContact C-N 3.35Å; Q442-Q445 PolarHBondContact O-N 3.14Å; Q442-M446 PolarHBondContact O-N 2.79Å; Q442-M446 VanDerWaalsContact O-N 3.09Å; Q442-L611 HydrophobicContact CB-CD1 4.37Å; Q442-L611 HydrophobicContact CB-CD2 3.6Å; Q442-L611 HydrophobicContact CG-CD2 4.29Å |
| 443 | F | 89 | Confident | 80.8 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.009 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.3 | -36.7 | 174.6 | -175.8 | -110 | 0 | 0 | 0 | 111.7 | W439 I440 M446 L447 L608 L611 W655 I687 A690 | W439-F443 HydrophobicContact CE3-CB 4.46Å; W439-F443 HydrophobicContact CH2-CB 4.41Å; W439-F443 HydrophobicContact CH2-CD1 4.18Å; W439-F443 HydrophobicContact CH2-CG 4.11Å; W439-F443 HydrophobicContact CZ2-CD2 4.47Å; W439-F443 HydrophobicContact CZ2-CG 4.38Å; W439-F443 HydrophobicContact CZ3-CB 4.38Å; W439-F443 HydrophobicContact CZ3-CD1 4.35Å; W439-F443 HydrophobicContact CZ3-CG 4.42Å; W439-F443 WeakPolarHBondContact O-CB 3.45Å; W439-F443 PolarHBondContact O-N 2.77Å; I440-F443 PolarHBondContact O-N 3.38Å; F443-M446 HydrophobicContact CD2-CE 3.58Å; F443-M446 HydrophobicContact CE2-CE 3.33Å; F443-M446 HydrophobicContact CZ-CE 4.41Å; F443-M446 WeakPolarHBondContact O-CB 3.37Å; F443-M446 PolarHBondContact O-N 3.5Å; F443-L447 HydrophobicContact CD1-CD1 4.04Å; F443-L447 HydrophobicContact CD1-CG 4.35Å; F443-L447 HydrophobicContact CE1-CD1 3.69Å; F443-L447 HydrophobicContact CE1-CD2 4.27Å; F443-L447 HydrophobicContact CE1-CG 3.99Å; F443-L447 HydrophobicContact CZ-CD1 4.34Å; F443-L447 HydrophobicContact CZ-CD2 4.09Å; F443-L447 HydrophobicContact CZ-CG 4.2Å; F443-L447 WeakPolarHBondContact O-CG 3.33Å; F443-L447 PolarHBondContact O-N 3.35Å; F443-L608 HydrophobicContact CD2-CD1 4.11Å; F443-L608 HydrophobicContact CE2-CD1 4.07Å; F443-L611 HydrophobicContact CB-CD1 4.48Å; F443-W655 AromaticContact CD1-CH2 3.73Å; F443-W655 HydrophobicContact CD1-CH2 3.73Å; F443-W655 HydrophobicContact CD1-CZ3 4.08Å; F443-W655 HydrophobicContact CE1-CH2 4.1Å; F443-W655 HydrophobicContact CE1-CZ3 4.3Å; F443-I687 HydrophobicContact CE1-CG1 4.07Å; F443-I687 HydrophobicContact CZ-CG1 4.43Å; F443-A690 HydrophobicContact CD2-CB 4.18Å; F443-A690 HydrophobicContact CE1-CB 4.01Å; F443-A690 HydrophobicContact CE2-CB 3.35Å; F443-A690 HydrophobicContact CZ-CB 3.27Å |
| 444 | D | 86.7 | Confident | 78.7 | Confident | 31 Ų | 31 | 58.9 Ų | 58.9 | 17% | 0.166 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.3 | -37.3 | 175.6 | -157.4 | 47.2 | 0 | 0 | 0 | 112.1 | I440 D441 Q442 M446 L447 I448 W655 K659 | I440-D444 WeakPolarHBondContact O-CB 3.49Å; I440-D444 PolarHBondContact O-N 3.19Å; D441-D444 PolarHBondContact O-N 2.85Å; Q442-D444 VanDerWaalsContact C-N 3.35Å; D444-M446 VanDerWaalsContact C-N 3.29Å; D444-M446 PolarHBondContact O-N 3.08Å; D444-L447 PolarHBondContact O-N 2.91Å; D444-I448 WeakPolarHBondContact O-CB 3.45Å; D444-I448 VanDerWaalsContact O-CG1 3.26Å; D444-I448 WeakPolarHBondContact O-CG1 3.4Å; D444-I448 PolarHBondContact O-N 3.37Å; D444-W655 HydrophobicContact CB-CZ2 4.09Å; D444-K659 WeakPolarHBondContact OD1-CE 3.39Å; D444-K659 IonicContact OD1-NZ 2.74Å; D444-K659 PolarHBondContact OD1-NZ 2.86Å; D444-K659 IonicContact OD2-NZ 3.8Å; D444-K659 PolarHBondContact OD2-NZ 3.33Å |
| 445 | Q | 84.3 | Confident | 76.4 | Confident | 130 Ų | 130 | 56.9 Ų | 56.9 | 61% | 0.607 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -60.6 | -40.4 | 171.1 | -72.9 | 171.5 | 32.7 | 0 | 0 | 111.6 | D441 Q442 I448 R449 | D441-Q445 VanDerWaalsContact O-CG 3.28Å; D441-Q445 WeakPolarHBondContact O-CG 3.39Å; D441-Q445 PolarHBondContact O-N 3.39Å; Q442-Q445 PolarHBondContact O-N 3.14Å; Q445-I448 PolarHBondContact O-N 3.06Å; Q445-R449 VanDerWaalsContact O-CB 3.31Å; Q445-R449 WeakPolarHBondContact O-CB 3.49Å; Q445-R449 PolarHBondContact O-N 2.9Å |
| 446 | M | 80.8 | Confident | 73.7 | Confident | 8 Ų | 8 | 64.1 Ų | 64.1 | 4% | 0.039 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.7 | -47.6 | 173.8 | -163.4 | -177.6 | 76.5 | 0 | 0 | 110.8 | Q442 F443 D444 I448 R449 D450 E607 | Q442-M446 PolarHBondContact O-N 2.79Å; Q442-M446 VanDerWaalsContact O-N 3.09Å; F443-M446 HydrophobicContact CD2-CE 3.58Å; F443-M446 HydrophobicContact CE2-CE 3.33Å; F443-M446 HydrophobicContact CZ-CE 4.41Å; F443-M446 WeakPolarHBondContact O-CB 3.37Å; F443-M446 PolarHBondContact O-N 3.5Å; D444-M446 VanDerWaalsContact C-N 3.29Å; D444-M446 PolarHBondContact O-N 3.08Å; M446-I448 PolarHBondContact O-N 3.25Å; M446-R449 PolarHBondContact O-N 2.98Å; M446-D450 WeakPolarHBondContact O-CB 2.98Å; M446-D450 PolarHBondContact O-N 2.79Å; M446-E607 HydrophobicContact SD-CB 4.45Å; M446-E607 HydrophobicContact SD-CG 4.25Å |
| 447 | L | 80.9 | Confident | 71.1 | Confident | 9 Ų | 9 | 68.7 Ų | 68.7 | 5% | 0.047 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 175.9 | -69.3 | 176.2 | 0 | 0 | 0 | 112.8 | F443 D444 S451 W655 C683 L686 I687 | F443-L447 HydrophobicContact CD1-CD1 4.04Å; F443-L447 HydrophobicContact CD1-CG 4.35Å; F443-L447 HydrophobicContact CE1-CD1 3.69Å; F443-L447 HydrophobicContact CE1-CD2 4.27Å; F443-L447 HydrophobicContact CE1-CG 3.99Å; F443-L447 HydrophobicContact CZ-CD1 4.34Å; F443-L447 HydrophobicContact CZ-CD2 4.09Å; F443-L447 HydrophobicContact CZ-CG 4.2Å; F443-L447 WeakPolarHBondContact O-CG 3.33Å; F443-L447 PolarHBondContact O-N 3.35Å; D444-L447 PolarHBondContact O-N 2.91Å; L447-S451 WeakPolarHBondContact O-CB 3.47Å; L447-S451 PolarHBondContact O-N 3.35Å; L447-W655 HydrophobicContact CD1-CH2 4.02Å; L447-C683 HydrophobicContact CD2-CB 4.33Å; L447-L686 HydrophobicContact CD2-CB 4.02Å; L447-L686 HydrophobicContact CD2-CD1 4.21Å; L447-I687 HydrophobicContact CD1-CD1 4.24Å; L447-I687 HydrophobicContact CD1-CG1 4Å; L447-I687 HydrophobicContact CD2-CG1 4.31Å |
| 448 | I | 77.2 | Confident | 68.4 | Low | 61 Ų | 61 | 72 Ų | 72 | 31% | 0.313 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.1 | -43.7 | 179.2 | -68.7 | 165.6 | 0 | 0 | 0 | 110.4 | D444 Q445 M446 D450 S451 K452 | D444-I448 WeakPolarHBondContact O-CB 3.45Å; D444-I448 VanDerWaalsContact O-CG1 3.26Å; D444-I448 WeakPolarHBondContact O-CG1 3.4Å; D444-I448 PolarHBondContact O-N 3.37Å; Q445-I448 PolarHBondContact O-N 3.06Å; M446-I448 PolarHBondContact O-N 3.25Å; I448-D450 VanDerWaalsContact C-N 3.28Å; I448-D450 PolarHBondContact O-N 2.75Å; I448-S451 WeakPolarHBondContact CA-OG 3.1Å; I448-S451 CarbonylContact O-C 3.6Å; I448-S451 WeakPolarHBondContact O-CA 3.33Å; I448-S451 WeakPolarHBondContact O-CB 3.35Å; I448-S451 PolarHBondContact O-N 2.77Å; I448-S451 VanDerWaalsContact O-N 3.07Å; I448-S451 PolarHBondContact O-OG 3.49Å; I448-K452 HydrophobicContact CG2-CD 3.78Å; I448-K452 HydrophobicContact CG2-CG 4.06Å; I448-K452 WeakPolarHBondContact O-CB 3.21Å; I448-K452 WeakPolarHBondContact O-CG 3.38Å; I448-K452 PolarHBondContact O-N 3.16Å |
| 449 | R | 68.7 | Low | 65.7 | Low | 125 Ų | 125 | 75 Ų | 75 | 47% | 0.472 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.2 | -45.8 | 176.7 | -169.4 | 179.4 | 91 | -158.7 | -2.8 | 110.3 | Q445 M446 S451 K452 L453 E607 | Q445-R449 VanDerWaalsContact O-CB 3.31Å; Q445-R449 WeakPolarHBondContact O-CB 3.49Å; Q445-R449 PolarHBondContact O-N 2.9Å; M446-R449 PolarHBondContact O-N 2.98Å; R449-S451 PolarHBondContact O-N 3.49Å; R449-K452 PolarHBondContact O-N 3.2Å; R449-K452 VanDerWaalsContact O-N 3.1Å; R449-L453 HydrophobicContact CG-CD1 4.12Å; R449-L453 PolarHBondContact O-N 3.19Å; R449-E607 IonicContact CZ-OE1 3.75Å; R449-E607 IonicContact CZ-OE2 3.69Å; R449-E607 IonicContact NH1-OE1 3.82Å; R449-E607 PolarHBondContact NH1-OE1 2.84Å; R449-E607 VanDerWaalsContact NH1-OE1 3.08Å; R449-E607 IonicContact NH1-OE2 2.64Å; R449-E607 IonicContact NH2-OE1 3.03Å; R449-E607 IonicContact NH2-OE2 2.68Å; R449-E607 PolarHBondContact NH2-OE2 3.14Å |
| 450 | D | 63.1 | Low | 63.1 | Low | 28 Ų | 28 | 79.5 Ų | 79.5 | 15% | 0.15 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.4 | -27.2 | 177.7 | -67.6 | -12.4 | 0 | 0 | 0 | 112.3 | M446 I448 | M446-D450 WeakPolarHBondContact O-CB 2.98Å; M446-D450 PolarHBondContact O-N 2.79Å; I448-D450 VanDerWaalsContact C-N 3.28Å; I448-D450 PolarHBondContact O-N 2.75Å |
| 451 | S | 62.6 | Low | 60.4 | Low | 59 Ų | 59 | 87.9 Ų | 87.9 | 41% | 0.413 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -78.1 | -34 | 171.3 | 79.4 | 0 | 0 | 0 | 0 | 113.8 | L447 I448 R449 K454 | L447-S451 WeakPolarHBondContact O-CB 3.47Å; L447-S451 PolarHBondContact O-N 3.35Å; I448-S451 WeakPolarHBondContact CA-OG 3.1Å; I448-S451 CarbonylContact O-C 3.6Å; I448-S451 WeakPolarHBondContact O-CA 3.33Å; I448-S451 WeakPolarHBondContact O-CB 3.35Å; I448-S451 PolarHBondContact O-N 2.77Å; I448-S451 VanDerWaalsContact O-N 3.07Å; I448-S451 PolarHBondContact O-OG 3.49Å; R449-S451 PolarHBondContact O-N 3.49Å; S451-K454 WeakPolarHBondContact O-CB 3.27Å; S451-K454 WeakPolarHBondContact O-CG 3.2Å |
| 452 | K | 49.3 | Very low | 57.8 | Low | 139 Ų | 139 | 89.7 Ų | 89.7 | 60% | 0.604 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -86.2 | -28.2 | -171.4 | -80 | -174.7 | 179 | 179.4 | 0 | 114.8 | I448 R449 K454 S455 | I448-K452 HydrophobicContact CG2-CD 3.78Å; I448-K452 HydrophobicContact CG2-CG 4.06Å; I448-K452 WeakPolarHBondContact O-CB 3.21Å; I448-K452 WeakPolarHBondContact O-CG 3.38Å; I448-K452 PolarHBondContact O-N 3.16Å; R449-K452 PolarHBondContact O-N 3.2Å; R449-K452 VanDerWaalsContact O-N 3.1Å; K452-K454 PolarHBondContact O-N 3.37Å; K452-S455 PolarHBondContact O-N 3.4Å; K452-S455 PolarHBondContact O-OG 3.15Å; K452-S455 VanDerWaalsContact O-OG 3.12Å |
| 453 | L | 45.1 | Very low | 54.9 | Low | 109 Ų | 109 | 94.4 Ų | 94.4 | 57% | 0.571 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -9.2 | 170.6 | -105 | 133.7 | 0 | 0 | 0 | 113 | R449 | R449-L453 HydrophobicContact CG-CD1 4.12Å; R449-L453 PolarHBondContact O-N 3.19Å |
| 454 | K | 45.8 | Very low | 52.3 | Low | 81 Ų | 81 | 100.7 Ų | 100.7 | 35% | 0.352 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -17 | 172.5 | -60.9 | -171.2 | 172.7 | -157.1 | 0 | 116 | S451 K452 E475 | S451-K454 WeakPolarHBondContact O-CB 3.27Å; S451-K454 WeakPolarHBondContact O-CG 3.2Å; K452-K454 PolarHBondContact O-N 3.37Å; K454-E475 IonicContact NZ-OE2 3.92Å |
| 455 | S | 41.9 | Very low | 49.6 | Very low | 87 Ų | 87 | 104 Ų | 104 | 61% | 0.608 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -100.9 | -19.8 | -168.1 | 63.2 | 0 | 0 | 0 | 0 | 116.7 | K452 | K452-S455 PolarHBondContact O-N 3.4Å; K452-S455 PolarHBondContact O-OG 3.15Å; K452-S455 VanDerWaalsContact O-OG 3.12Å |
| 456 | E | 32.9 | Very low | 47.1 | Very low | 167 Ų | 167 | 107.4 Ų | 107.4 | 78% | 0.78 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -105.4 | -4.3 | -169 | -72.4 | -169.1 | 159 | 0 | 0 | 116.4 | N458 | E456-N458 VanDerWaalsContact C-N 3.29Å; E456-N458 PolarHBondContact O-N 3.44Å |
| 457 | D | 35.7 | Very low | 44.7 | Very low | 99 Ų | 99 | 116.9 Ų | 116.9 | 53% | 0.529 | 60% | 0.602 | S | S | . | * | trans | -82.4 | 73.2 | 176.5 | -73.8 | -21.6 | 0 | 0 | 0 | 112.3 | L459 N477 | D457-L459 PolarHBondContact O-N 3.3Å; D457-N477 PolarHBondContact OD2-ND2 2.97Å | ||
| 458 | N | 35.2 | Very low | 42.7 | Very low | 124 Ų | 124 | 120 Ų | 120 | 66% | 0.663 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -68.2 | 14 | 173.8 | -81.5 | -51 | 0 | 0 | 0 | 114.8 | E456 | E456-N458 VanDerWaalsContact C-N 3.29Å; E456-N458 PolarHBondContact O-N 3.44Å |
| 459 | L | 35.2 | Very low | 41 | Very low | 150 Ų | 150 | 124.3 Ų | 124.3 | 79% | 0.785 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -87.1 | -1.4 | -179.7 | -78.9 | 167.4 | 0 | 0 | 0 | 114.4 | D457 K461 | D457-L459 PolarHBondContact O-N 3.3Å; L459-K461 VanDerWaalsContact C-N 3.27Å; L459-K461 PolarHBondContact O-N 2.89Å |
| 460 | S | 38.1 | Very low | 39.5 | Very low | 107 Ų | 107 | 120.3 Ų | 120.3 | 75% | 0.748 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -78.4 | -0.6 | 177.3 | 58.8 | 0 | 0 | 0 | 0 | 115 | I462 | S460-I462 PolarHBondContact O-N 3.3Š|
| 461 | K | 36.4 | Very low | 38.1 | Very low | 182 Ų | 182 | 122 Ų | 122 | 79% | 0.791 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -82.2 | 0.3 | -179.1 | -78.7 | -174.1 | 178.7 | 176.2 | 0 | 116.1 | L459 | L459-K461 VanDerWaalsContact C-N 3.27Å; L459-K461 PolarHBondContact O-N 2.89Å |
| 462 | I | 35.3 | Very low | 36.9 | Very low | 137 Ų | 137 | 121.8 Ų | 121.8 | 70% | 0.703 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -110.1 | -6.5 | -169.8 | -60.3 | 179.7 | 0 | 0 | 0 | 115.5 | S460 | S460-I462 PolarHBondContact O-N 3.3Š|
| 463 | L | 29 | Very low | 36.4 | Very low | 148 Ų | 148 | 118.4 Ų | 118.4 | 78% | 0.775 | 63% | 0.631 | S | S | * | * | trans | -121.9 | 118.5 | 174.5 | -104.3 | 82.8 | 0 | 0 | 0 | 113.3 | S465 | L463-S465 VanDerWaalsContact C-N 3.34Å; L463-S465 PolarHBondContact O-N 2.91Å | ||
| 464 | P | 33.7 | Very low | 36.1 | Very low | 133 Ų | 133 | 117.9 Ų | 117.9 | 86% | 0.864 | 63% | 0.628 | S | S | * | * | trans | -80.3 | 82.6 | 175.2 | 33 | -30.5 | 0 | 0 | 0 | 109.2 | ||||
| 465 | S | 30.8 | Very low | 35.8 | Very low | 102 Ų | 102 | 119.4 Ų | 119.4 | 71% | 0.713 | 64% | 0.636 | S | S | * | * | trans | -79.9 | 121.7 | 175.2 | 56.1 | 0 | 0 | 0 | 0 | 110.7 | L463 K467 | L463-S465 VanDerWaalsContact C-N 3.34Å; L463-S465 PolarHBondContact O-N 2.91Å; S465-K467 PolarHBondContact O-N 3.09Å | ||
| 466 | K | 30.5 | Very low | 35.7 | Very low | 201 Ų | 201 | 122 Ų | 122 | 87% | 0.874 | 64% | 0.643 | S | S | * | * | trans | -45 | 125 | 168.3 | -74.2 | 175.1 | 173.3 | 178.3 | 0 | 110.3 | P468 | K466-P468 VanDerWaalsContact O-CD 3.23Å; K466-P468 WeakPolarHBondContact O-CD 3.45Å | ||
| 467 | K | 30.5 | Very low | 35.9 | Very low | 206 Ų | 206 | 117.9 Ų | 117.9 | 90% | 0.896 | 63% | 0.626 | S | S | * | * | trans | -57.7 | 114.4 | 176.7 | -64.5 | 178.4 | 178.3 | -178.4 | 0 | 109.6 | S465 | S465-K467 PolarHBondContact O-N 3.09Š| ||
| 468 | P | 38.9 | Very low | 36.6 | Very low | 74 Ų | 74 | 115.1 Ų | 115.1 | 48% | 0.481 | 61% | 0.61 | S | S | . | * | trans | -68 | 160.6 | 167.6 | 24.4 | -23.9 | 0 | 0 | 0 | 110.5 | K466 F470 | K466-P468 VanDerWaalsContact O-CD 3.23Å; K466-P468 WeakPolarHBondContact O-CD 3.45Å; P468-F470 VanDerWaalsContact C-N 3.3Å; P468-F470 CarbonylContact C-O 3.51Å; P468-F470 WeakPolarHBondContact CG-O 3.44Å; P468-F470 CarbonylContact O-C 3.18Å; P468-F470 PolarHBondContact O-N 3.34Å | ||
| 469 | F | 41.7 | Very low | 37.4 | Very low | 153 Ų | 153 | 114.1 Ų | 114.1 | 67% | 0.671 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -67.4 | -25.1 | -165.7 | -151 | -94.1 | 0 | 0 | 0 | 114.6 | ||
| 470 | F | 37.4 | Very low | 38.7 | Very low | 41 Ų | 41 | 107.8 Ų | 107.8 | 18% | 0.18 | 57% | 0.567 | C | S | . | * | S | Bend | trans | -104 | 134.7 | 147.8 | -74.2 | -83.5 | 0 | 0 | 0 | 104.7 | P468 S472 E784 H874 | P468-F470 VanDerWaalsContact C-N 3.3Å; P468-F470 CarbonylContact C-O 3.51Å; P468-F470 WeakPolarHBondContact CG-O 3.44Å; P468-F470 CarbonylContact O-C 3.18Å; P468-F470 PolarHBondContact O-N 3.34Å; F470-S472 VanDerWaalsContact C-N 3.32Å; F470-S472 PolarHBondContact O-N 2.88Å; F470-E784 HydrophobicContact CD1-CB 4.12Å; F470-E784 HydrophobicContact CE1-CB 4.13Å; F470-H874 HydrophobicContact CD2-CB 4.15Å; F470-H874 HydrophobicContact CE2-CB 3.59Å; F470-H874 HydrophobicContact CZ-CB 4.42Å |
| 471 | S | 34.7 | Very low | 40 | Very low | 62 Ų | 62 | 103 Ų | 103 | 43% | 0.434 | 53% | 0.533 | S | S | . | . | trans | -46.7 | 115.1 | 158.7 | 75.3 | 0 | 0 | 0 | 0 | 103.4 | P473 E784 | S471-P473 WeakPolarHBondContact O-CD 3.41Å; S471-E784 PolarHBondContact OG-OE1 3.44Å | ||
| 472 | S | 36.1 | Very low | 41.4 | Very low | 55 Ų | 55 | 95.2 Ų | 95.2 | 39% | 0.385 | 50% | 0.502 | S | S | . | . | trans | -56.8 | 114.4 | 179.3 | 57.3 | 0 | 0 | 0 | 0 | 102.4 | F470 I474 | F470-S472 VanDerWaalsContact C-N 3.32Å; F470-S472 PolarHBondContact O-N 2.88Å; S472-I474 CarbonylContact O-C 3.48Å; S472-I474 WeakPolarHBondContact O-CA 3.47Å; S472-I474 PolarHBondContact O-N 2.75Å | ||
| 473 | P | 39.1 | Very low | 43 | Very low | 68 Ų | 68 | 93.8 Ų | 93.8 | 44% | 0.442 | 50% | 0.496 | S | S | . | . | trans | -73.8 | 23.3 | -177.5 | 33 | -32.5 | 0 | 0 | 0 | 109.3 | S471 E475 | S471-P473 WeakPolarHBondContact O-CD 3.41Å; P473-E475 PolarHBondContact O-N 3.07Å | ||
| 474 | I | 39.2 | Very low | 44.9 | Very low | 99 Ų | 99 | 88.5 Ų | 88.5 | 51% | 0.508 | 47% | 0.467 | S | S | . | . | trans | -59.9 | 65.1 | 147.5 | -41.8 | 174.3 | 0 | 0 | 0 | 108.6 | S472 N476 | S472-I474 CarbonylContact O-C 3.48Å; S472-I474 WeakPolarHBondContact O-CA 3.47Å; S472-I474 PolarHBondContact O-N 2.75Å; I474-N476 HydrophobicContact CG2-CB 4.25Å; I474-N476 WeakPolarHBondContact CG2-OD1 3.33Å; I474-N476 PolarHBondContact O-N 2.93Å | ||
| 475 | E | 39.4 | Very low | 46.3 | Very low | 112 Ų | 112 | 82.5 Ų | 82.5 | 52% | 0.523 | 43% | 0.428 | S | S | . | . | trans | -57 | 97.3 | 133.2 | -78.8 | -174.5 | 175.5 | 0 | 0 | 104.2 | K454 P473 N477 Q478 | K454-E475 IonicContact NZ-OE2 3.92Å; P473-E475 PolarHBondContact O-N 3.07Å; E475-N477 PolarHBondContact O-N 3.28Å; E475-Q478 HydrophobicContact CB-CG 3.94Å; E475-Q478 PolarHBondContact O-N 2.66Å; E475-Q478 VanDerWaalsContact O-N 3.15Å; E475-Q478 PolarHBondContact OE2-NE2 2.9Å | ||
| 476 | N | 38.9 | Very low | 48.2 | Very low | 142 Ų | 142 | 85.7 Ų | 85.7 | 76% | 0.759 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | -6.6 | -177.8 | -92 | -39.6 | 0 | 0 | 0 | 113.9 | I474 | I474-N476 HydrophobicContact CG2-CB 4.25Å; I474-N476 WeakPolarHBondContact CG2-OD1 3.33Å; I474-N476 PolarHBondContact O-N 2.93Å |
| 477 | N | 37.5 | Very low | 49.9 | Very low | 81 Ų | 81 | 78.3 Ų | 78.3 | 43% | 0.433 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 13.6 | -172.5 | -66.3 | 16.5 | 0 | 0 | 0 | 113.5 | D457 E475 | D457-N477 PolarHBondContact OD2-ND2 2.97Å; E475-N477 PolarHBondContact O-N 3.28Å |
| 478 | Q | 49.9 | Very low | 51.1 | Low | 40 Ų | 40 | 74.9 Ų | 74.9 | 19% | 0.187 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -90.8 | 124.8 | 172 | -65.8 | -176.1 | 8.7 | 0 | 0 | 110.8 | E475 D480 H680 | E475-Q478 HydrophobicContact CB-CG 3.94Å; E475-Q478 PolarHBondContact O-N 2.66Å; E475-Q478 VanDerWaalsContact O-N 3.15Å; E475-Q478 PolarHBondContact OE2-NE2 2.9Å; Q478-D480 PolarHBondContact O-N 2.94Å; Q478-H680 PolarHBondContact NE2-NE2 3.37Å |
| 479 | F | 53.5 | Low | 51.9 | Low | 104 Ų | 104 | 72.3 Ų | 72.3 | 46% | 0.456 | 37% | 0.373 | S | S | . | . | trans | -47.9 | 109.5 | 174.1 | -110.1 | -87.6 | 0 | 0 | 0 | 110.5 | W481 | F479-W481 HydrophobicContact CB-CZ2 4.26Å; F479-W481 HydrophobicContact CD1-CE3 4.49Å; F479-W481 HydrophobicContact CD1-CH2 4.07Å; F479-W481 HydrophobicContact CD1-CZ2 4.42Å; F479-W481 HydrophobicContact CD1-CZ3 4.16Å; F479-W481 HydrophobicContact CG-CH2 4.47Å; F479-W481 HydrophobicContact CG-CZ2 4.47Å; F479-W481 PolarHBondContact O-N 2.95Å | ||
| 480 | D | 62.3 | Low | 52.4 | Low | 17 Ų | 17 | 72.4 Ų | 72.4 | 9% | 0.091 | 38% | 0.38 | C | S | . | . | trans | -86.9 | 102.8 | 170.7 | -169 | -28.4 | 0 | 0 | 0 | 106.8 | Q478 A482 N483 F484 Y881 K885 | Q478-D480 PolarHBondContact O-N 2.94Å; D480-A482 PolarHBondContact O-N 3.06Å; D480-A482 WeakPolarHBondContact OD1-CA 3.16Å; D480-A482 VanDerWaalsContact OD1-CB 3.22Å; D480-A482 WeakPolarHBondContact OD1-CB 3.4Å; D480-A482 PolarHBondContact OD1-N 2.64Å; D480-N483 HydrophobicContact CB-CB 3.89Å; D480-N483 WeakPolarHBondContact CB-ND2 3.14Å; D480-N483 WeakPolarHBondContact O-CA 3.27Å; D480-N483 WeakPolarHBondContact O-CB 3.28Å; D480-N483 PolarHBondContact O-N 3.44Å; D480-N483 PolarHBondContact OD1-N 3.12Å; D480-F484 PolarHBondContact O-N 2.92Å; D480-Y881 PolarHBondContact OD2-OH 3.48Å; D480-K885 HydrophobicContact CB-CG 4.45Å | ||
| 481 | W | 65.8 | Low | 53 | Low | 6 Ų | 6 | 79.7 Ų | 79.7 | 2% | 0.023 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.3 | -28 | -179.7 | -63.3 | 106.8 | 0 | 0 | 0 | 111.5 | F479 N483 F484 V485 V603 L686 K885 V888 | F479-W481 HydrophobicContact CB-CZ2 4.26Å; F479-W481 HydrophobicContact CD1-CE3 4.49Å; F479-W481 HydrophobicContact CD1-CH2 4.07Å; F479-W481 HydrophobicContact CD1-CZ2 4.42Å; F479-W481 HydrophobicContact CD1-CZ3 4.16Å; F479-W481 HydrophobicContact CG-CH2 4.47Å; F479-W481 HydrophobicContact CG-CZ2 4.47Å; F479-W481 PolarHBondContact O-N 2.95Å; W481-N483 VanDerWaalsContact C-N 3.35Å; W481-F484 HydrophobicContact CE3-CB 4.3Å; W481-F484 HydrophobicContact CE3-CD1 4.29Å; W481-F484 HydrophobicContact CE3-CG 4.46Å; W481-F484 PolarHBondContact O-N 2.94Å; W481-V485 WeakPolarHBondContact O-CG2 3.36Å; W481-V485 PolarHBondContact O-N 2.91Å; W481-V603 HydrophobicContact CB-CG1 4.16Å; W481-V603 HydrophobicContact CD2-CG1 3.54Å; W481-V603 HydrophobicContact CE3-CG1 3.02Å; W481-V603 HydrophobicContact CG-CG1 4.04Å; W481-V603 HydrophobicContact CZ3-CG1 3.63Å; W481-L686 HydrophobicContact CH2-CD1 4.23Å; W481-L686 HydrophobicContact CH2-CD2 3.15Å; W481-L686 HydrophobicContact CH2-CG 3.82Å; W481-L686 HydrophobicContact CZ2-CD1 3.72Å; W481-L686 HydrophobicContact CZ2-CD2 3.15Å; W481-L686 HydrophobicContact CZ2-CG 3.26Å; W481-L686 HydrophobicContact CZ3-CD2 4.24Å; W481-K885 WeakPolarHBondContact CB-O 3.36Å; W481-V888 HydrophobicContact CB-CG2 3.98Å |
| 482 | A | 66 | Low | 53.7 | Low | 19 Ų | 19 | 82.2 Ų | 82.2 | 16% | 0.157 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | D480 F484 V485 W486 | D480-A482 PolarHBondContact O-N 3.06Å; D480-A482 WeakPolarHBondContact OD1-CA 3.16Å; D480-A482 VanDerWaalsContact OD1-CB 3.22Å; D480-A482 WeakPolarHBondContact OD1-CB 3.4Å; D480-A482 PolarHBondContact OD1-N 2.64Å; A482-F484 VanDerWaalsContact C-N 3.32Å; A482-F484 PolarHBondContact O-N 3.01Å; A482-V485 PolarHBondContact O-N 3.43Å; A482-W486 WeakPolarHBondContact O-CB 3.41Å; A482-W486 PolarHBondContact O-N 3.02Å |
| 483 | N | 67.9 | Low | 54.1 | Low | 107 Ų | 107 | 83.6 Ų | 83.6 | 57% | 0.572 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -62.7 | -38.1 | 173.6 | -67.8 | -10.1 | 0 | 0 | 0 | 112.1 | D480 W481 S487 | D480-N483 HydrophobicContact CB-CB 3.89Å; D480-N483 WeakPolarHBondContact CB-ND2 3.14Å; D480-N483 WeakPolarHBondContact O-CA 3.27Å; D480-N483 WeakPolarHBondContact O-CB 3.28Å; D480-N483 PolarHBondContact O-N 3.44Å; D480-N483 PolarHBondContact OD1-N 3.12Å; W481-N483 VanDerWaalsContact C-N 3.35Å; N483-S487 WeakPolarHBondContact O-CA 3.4Å; N483-S487 WeakPolarHBondContact O-CB 3.41Å; N483-S487 PolarHBondContact O-N 3.33Å |
| 484 | F | 69.2 | Low | 54.2 | Low | 37 Ų | 37 | 86.3 Ų | 86.3 | 16% | 0.162 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.3 | -48.8 | 173.6 | 171.7 | -103.2 | 0 | 0 | 0 | 111.6 | D480 W481 A482 W486 S487 R600 V603 L604 | D480-F484 PolarHBondContact O-N 2.92Å; W481-F484 HydrophobicContact CE3-CB 4.3Å; W481-F484 HydrophobicContact CE3-CD1 4.29Å; W481-F484 HydrophobicContact CE3-CG 4.46Å; W481-F484 PolarHBondContact O-N 2.94Å; A482-F484 VanDerWaalsContact C-N 3.32Å; A482-F484 PolarHBondContact O-N 3.01Å; F484-W486 PolarHBondContact O-N 3.29Å; F484-S487 PolarHBondContact O-OG 3.1Å; F484-R600 HydrophobicContact CE1-CG 4.3Å; F484-R600 HydrophobicContact CZ-CG 4.3Å; F484-V603 HydrophobicContact CD1-CG1 4.3Å; F484-L604 WeakPolarHBondContact CZ-O 3.22Å |
| 485 | V | 63.8 | Low | 54.5 | Low | 7 Ų | 7 | 87.4 Ų | 87.4 | 4% | 0.042 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63.9 | -41.7 | -178.5 | 175.4 | 0 | 0 | 0 | 0 | 111.9 | W481 A482 R600 L601 V603 V888 | W481-V485 WeakPolarHBondContact O-CG2 3.36Å; W481-V485 PolarHBondContact O-N 2.91Å; A482-V485 PolarHBondContact O-N 3.43Å; V485-R600 WeakPolarHBondContact CG2-O 3.23Å; V485-L601 HydrophobicContact CG1-CD2 4Å; V485-V603 HydrophobicContact CG2-CG2 4.12Å; V485-V888 HydrophobicContact CB-CG1 4.07Å; V485-V888 HydrophobicContact CG1-CG1 4.01Å; V485-V888 HydrophobicContact CG2-CB 4.47Å; V485-V888 HydrophobicContact CG2-CG1 3.82Å; V485-V888 HydrophobicContact CG2-CG2 4.05Å |
| 486 | W | 69.2 | Low | 54.5 | Low | 169 Ų | 169 | 88.6 Ų | 88.6 | 64% | 0.64 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -97.7 | 6 | -175 | -56.8 | 119.5 | 0 | 0 | 0 | 114.1 | A482 F484 | A482-W486 WeakPolarHBondContact O-CB 3.41Å; A482-W486 PolarHBondContact O-N 3.02Å; F484-W486 PolarHBondContact O-N 3.29Å |
| 487 | S | 66 | Low | 54.4 | Low | 46 Ų | 46 | 89.4 Ų | 89.4 | 32% | 0.322 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -64.9 | 144.3 | 172.8 | 57.1 | 0 | 0 | 0 | 0 | 110.5 | N483 F484 C489 R600 | N483-S487 WeakPolarHBondContact O-CA 3.4Å; N483-S487 WeakPolarHBondContact O-CB 3.41Å; N483-S487 PolarHBondContact O-N 3.33Å; F484-S487 PolarHBondContact O-OG 3.1Å; S487-C489 PolarHBondContact O-N 3.47Å; S487-R600 PolarHBondContact O-NH1 3.3Å; S487-R600 PolarHBondContact O-NH2 3.03Å; S487-R600 PolarHBondContact OG-NH2 2.7Å; S487-R600 VanDerWaalsContact OG-NH2 3.15Å |
| 488 | D | 56.4 | Low | 54.3 | Low | 133 Ų | 133 | 90.3 Ų | 90.3 | 71% | 0.711 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 137.3 | 176 | -65.9 | -35.3 | 0 | 0 | 0 | 110.4 | I493 R600 | D488-I493 HydrophobicContact CB-CD1 4.48Å; D488-R600 PolarHBondContact O-NH2 2.9Å; D488-R600 VanDerWaalsContact O-NH2 3.14Å |
| 489 | C | 56.1 | Low | 53.4 | Low | 20 Ų | 20 | 92.9 Ų | 92.9 | 14% | 0.135 | 48% | 0.483 | C | S | . | . | P | Polyproline II helix | trans | -86.4 | 136.2 | 170.6 | -118.5 | 0 | 0 | 0 | 0 | 107.9 | S487 R491 D492 I493 R600 | S487-C489 PolarHBondContact O-N 3.47Å; C489-R491 PolarHBondContact O-N 3.38Å; C489-D492 HydrophobicContact CB-CB 4.47Å; C489-D492 WeakPolarHBondContact CB-OD2 3.45Å; C489-D492 PolarHBondContact N-OD2 3.11Å; C489-D492 WeakPolarHBondContact O-CB 3.49Å; C489-D492 PolarHBondContact O-N 2.72Å; C489-I493 PolarHBondContact O-N 2.81Å; C489-R600 PolarHBondContact SG-NH1 3.47Å; C489-R600 PolarHBondContact SG-NH2 3.36Å |
| 490 | L | 51 | Low | 52.4 | Low | 156 Ų | 156 | 94.9 Ų | 94.9 | 82% | 0.817 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -22.7 | 174.5 | -77.1 | 169.8 | 0 | 0 | 0 | 112.8 | ||
| 491 | R | 51 | Low | 51 | Low | 193 Ų | 193 | 101.2 Ų | 101.2 | 73% | 0.728 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -25.8 | 173.9 | -69.3 | 179.4 | 174.7 | 176.1 | -5.3 | 114.2 | C489 I493 D596 | C489-R491 PolarHBondContact O-N 3.38Å; R491-I493 VanDerWaalsContact C-N 3.28Å; R491-D596 WeakPolarHBondContact CD-OD2 3.38Å; R491-D596 IonicContact CZ-OD2 2.84Å; R491-D596 IonicContact NH1-OD1 2.72Å; R491-D596 IonicContact NH1-OD2 3.94Å; R491-D596 PolarHBondContact NH1-OD2 3.25Å; R491-D596 VanDerWaalsContact NH1-OD2 3.08Å |
| 492 | D | 49.1 | Very low | 49.7 | Very low | 116 Ų | 116 | 105.7 Ų | 105.7 | 62% | 0.62 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -28 | 175.9 | -59.2 | -30.5 | 0 | 0 | 0 | 110.3 | C489 N494 | C489-D492 HydrophobicContact CB-CB 4.47Å; C489-D492 WeakPolarHBondContact CB-OD2 3.45Å; C489-D492 PolarHBondContact N-OD2 3.11Å; C489-D492 WeakPolarHBondContact O-CB 3.49Å; C489-D492 PolarHBondContact O-N 2.72Å; D492-N494 PolarHBondContact O-N 3.4Å; D492-N494 VanDerWaalsContact O-N 3.14Å |
| 493 | I | 45.6 | Very low | 48 | Very low | 83 Ų | 83 | 112.1 Ų | 112.1 | 43% | 0.426 | 60% | 0.597 | S | S | . | * | trans | -86.8 | 79.2 | 175.2 | -35.9 | 177 | 0 | 0 | 0 | 108.8 | D488 C489 R491 I495 | D488-I493 HydrophobicContact CB-CD1 4.48Å; C489-I493 PolarHBondContact O-N 2.81Å; R491-I493 VanDerWaalsContact C-N 3.28Å; I493-I495 HydrophobicContact CB-CD1 4.49Å; I493-I495 HydrophobicContact CB-CG1 4.19Å; I493-I495 HydrophobicContact CG2-CD1 3.79Å; I493-I495 HydrophobicContact CG2-CG1 3.39Å; I493-I495 PolarHBondContact O-N 3.34Å | ||
| 494 | N | 41 | Very low | 46.1 | Very low | 125 Ų | 125 | 114 Ų | 114 | 67% | 0.668 | 61% | 0.607 | S | S | * | * | trans | -70.3 | 77.9 | 172.5 | -140.2 | 7.4 | 0 | 0 | 0 | 109.2 | D492 N496 | D492-N494 PolarHBondContact O-N 3.4Å; D492-N494 VanDerWaalsContact O-N 3.14Å; N494-N496 PolarHBondContact O-N 2.8Å | ||
| 495 | I | 45.5 | Very low | 44.3 | Very low | 123 Ų | 123 | 120.7 Ų | 120.7 | 63% | 0.631 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | 1 | -176.2 | -61.2 | 177.1 | 0 | 0 | 0 | 112.6 | I493 D497 | I493-I495 HydrophobicContact CB-CD1 4.49Å; I493-I495 HydrophobicContact CB-CG1 4.19Å; I493-I495 HydrophobicContact CG2-CD1 3.79Å; I493-I495 HydrophobicContact CG2-CG1 3.39Å; I493-I495 PolarHBondContact O-N 3.34Å; I495-D497 VanDerWaalsContact C-N 3.32Å; I495-D497 PolarHBondContact O-N 3.34Å |
| 496 | N | 38.4 | Very low | 42.6 | Very low | 136 Ų | 136 | 126.2 Ų | 126.2 | 73% | 0.727 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | 9.6 | -177.3 | -77.2 | 0.5 | 0 | 0 | 0 | 115.7 | N494 S498 | N494-N496 PolarHBondContact O-N 2.8Å; N496-S498 PolarHBondContact O-N 3.42Å |
| 497 | D | 36.5 | Very low | 40.6 | Very low | 159 Ų | 159 | 123.4 Ų | 123.4 | 85% | 0.85 | 68% | 0.681 | S | S | * | * | trans | -76.6 | 31.7 | 171.4 | -82.2 | -8.9 | 0 | 0 | 0 | 113.8 | I495 | I495-D497 VanDerWaalsContact C-N 3.32Å; I495-D497 PolarHBondContact O-N 3.34Å | ||
| 498 | S | 36.4 | Very low | 38.7 | Very low | 101 Ų | 101 | 130.4 Ų | 130.4 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | trans | -123.8 | 57.8 | 169.6 | 61.8 | 0 | 0 | 0 | 0 | 112.2 | N496 | N496-S498 PolarHBondContact O-N 3.42Š| ||
| 499 | S | 30.1 | Very low | 37.2 | Very low | 94 Ų | 94 | 134 Ų | 134 | 66% | 0.657 | 72% | 0.718 | S | S | * | * | trans | -154.9 | 106.2 | 148.1 | 51.4 | 0 | 0 | 0 | 0 | 112 | I501 | S499-I501 PolarHBondContact O-N 3.43Å; S499-I501 VanDerWaalsContact O-N 3.1Å | ||
| 500 | V | 33.3 | Very low | 35.8 | Very low | 146 Ų | 146 | 138.2 Ų | 138.2 | 89% | 0.885 | 75% | 0.748 | S | S | * | * | trans | -56.9 | 101.6 | 154.5 | 175.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 501 | I | 33.3 | Very low | 34.6 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | trans | -139.4 | 116.9 | 154.3 | -55.9 | -178.8 | 0 | 0 | 0 | 107.5 | S499 | S499-I501 PolarHBondContact O-N 3.43Å; S499-I501 VanDerWaalsContact O-N 3.1Å | ||
| 502 | P | 38.7 | Very low | 33.4 | Very low | 100 Ų | 100 | 136.4 Ų | 136.4 | 65% | 0.649 | 75% | 0.752 | S | S | * | * | trans | -86.6 | 148.8 | -174.5 | 33.3 | -30.8 | 0 | 0 | 0 | 112.6 | ||||
| 503 | D | 29.5 | Very low | 32.3 | Very low | 154 Ų | 154 | 138 Ų | 138 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | trans | 54.6 | 95 | 151.9 | -62.8 | -23.4 | 0 | 0 | 0 | 118.6 | ||||
| 504 | L | 29.2 | Very low | 31.4 | Very low | 148 Ų | 148 | 143.1 Ų | 143.1 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | trans | -153.4 | 135.5 | 135.1 | -143.9 | 65.8 | 0 | 0 | 0 | 112 | ||||
| 505 | F | 29.7 | Very low | 30.7 | Very low | 177 Ų | 177 | 143.2 Ų | 143.2 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | 91.3 | 68.1 | 173.7 | -54.2 | -70.3 | 0 | 0 | 0 | 117.6 | S507 | F505-S507 PolarHBondContact O-N 2.99Š| ||
| 506 | S | 28 | Very low | 29.9 | Very low | 122 Ų | 122 | 142 Ų | 142 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -48.1 | 110.6 | 139.9 | 55.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 507 | S | 27.9 | Very low | 29.6 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -112.6 | 117.4 | 156.9 | 70.9 | 0 | 0 | 0 | 0 | 108.9 | F505 K509 | F505-S507 PolarHBondContact O-N 2.99Å; S507-K509 PolarHBondContact O-N 3.42Å | ||
| 508 | Q | 26 | Very low | 29.4 | Very low | 193 Ų | 193 | 136.8 Ų | 136.8 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | trans | -51.1 | 117.2 | -172.3 | -68.8 | 165.4 | -26.7 | 0 | 0 | 112.9 | S510 | Q508-S510 PolarHBondContact O-N 2.85Š| ||
| 509 | K | 26 | Very low | 29.2 | Very low | 207 Ų | 207 | 135 Ų | 135 | 90% | 0.9 | 77% | 0.771 | S | S | * | * | trans | -68 | 106 | 160.5 | -88 | 177.3 | 172.9 | 175.1 | 0 | 108.5 | S507 K511 | S507-K509 PolarHBondContact O-N 3.42Å; K509-K511 PolarHBondContact O-N 2.89Å | ||
| 510 | S | 25.6 | Very low | 29.5 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | -64.8 | 112.8 | 161.8 | 50.8 | 0 | 0 | 0 | 0 | 108.9 | Q508 S512 | Q508-S510 PolarHBondContact O-N 2.85Å; S510-S512 PolarHBondContact O-N 3.41Å | ||
| 511 | K | 25.1 | Very low | 29.6 | Very low | 199 Ų | 199 | 132.4 Ų | 132.4 | 87% | 0.865 | 76% | 0.756 | S | S | * | * | trans | -62.3 | 118.4 | 163 | -69 | 174.2 | 173.8 | 178.7 | 0 | 107.9 | K509 | K509-K511 PolarHBondContact O-N 2.89Š| ||
| 512 | S | 27.2 | Very low | 29.9 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | trans | -126.6 | 122.2 | 160.5 | 57.5 | 0 | 0 | 0 | 0 | 107.2 | S510 | S510-S512 PolarHBondContact O-N 3.41Š| ||
| 513 | D | 26.1 | Very low | 29.5 | Very low | 150 Ų | 150 | 132.7 Ų | 132.7 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | trans | -66.4 | 150.7 | -162.7 | -65.7 | -54.7 | 0 | 0 | 0 | 114.4 | T515 | D513-T515 PolarHBondContact O-N 2.82Š| ||
| 514 | E | 26.3 | Very low | 30.1 | Very low | 190 Ų | 190 | 130 Ų | 130 | 89% | 0.888 | 73% | 0.728 | S | S | * | * | trans | -57.4 | 117.5 | 165.6 | -62.1 | 174.4 | 150.2 | 0 | 0 | 110.5 | ||||
| 515 | T | 26.7 | Very low | 30.4 | Very low | 128 Ų | 128 | 126.3 Ų | 126.3 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | trans | -149.5 | 115 | 150.7 | 43.4 | 0 | 0 | 0 | 0 | 112.7 | D513 | D513-T515 PolarHBondContact O-N 2.82Š| ||
| 516 | S | 28.4 | Very low | 31 | Very low | 96 Ų | 96 | 124.1 Ų | 124.1 | 67% | 0.671 | 70% | 0.704 | S | S | * | * | trans | 66 | 99.9 | 141.4 | 60.9 | 0 | 0 | 0 | 0 | 120.7 | S518 | S516-S518 PolarHBondContact O-N 3.14Š| ||
| 517 | A | 32.6 | Very low | 31.9 | Very low | 104 Ų | 104 | 122.2 Ų | 122.2 | 86% | 0.86 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -17 | 35.7 | 145.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||
| 518 | S | 31.3 | Very low | 32.4 | Very low | 83 Ų | 83 | 121.7 Ų | 121.7 | 58% | 0.58 | 67% | 0.671 | S | S | * | * | trans | -100.4 | -3.8 | 168.7 | 62.6 | 0 | 0 | 0 | 0 | 113.9 | S516 | S516-S518 PolarHBondContact O-N 3.14Š| ||
| 519 | S | 33 | Very low | 33.4 | Very low | 62 Ų | 62 | 115.4 Ų | 115.4 | 43% | 0.434 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -76.1 | -27.6 | -178.5 | 55.5 | 0 | 0 | 0 | 0 | 114.3 | S521 V522 W523 | S519-S521 PolarHBondContact O-N 3.48Å; S519-V522 PolarHBondContact O-N 2.83Å; S519-W523 PolarHBondContact O-N 3.08Å |
| 520 | V | 34.8 | Very low | 34.2 | Very low | 99 Ų | 99 | 110.2 Ų | 110.2 | 60% | 0.6 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.5 | -30.7 | -171.8 | -179.2 | 0 | 0 | 0 | 0 | 113.1 | ||
| 521 | S | 36.9 | Very low | 34.9 | Very low | 88 Ų | 88 | 106.6 Ų | 106.6 | 62% | 0.615 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -78.8 | -33.1 | 178.6 | 59.8 | 0 | 0 | 0 | 0 | 113 | S519 W523 S525 | S519-S521 PolarHBondContact O-N 3.48Å; S521-W523 VanDerWaalsContact C-N 3.33Å; S521-S525 PolarHBondContact O-N 3.03Å |
| 522 | V | 38.4 | Very low | 35.5 | Very low | 75 Ų | 75 | 101.4 Ų | 101.4 | 46% | 0.455 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -72 | -30.4 | 177.1 | -179 | 0 | 0 | 0 | 0 | 111.3 | S519 S525 K526 | S519-V522 PolarHBondContact O-N 2.83Å; V522-S525 PolarHBondContact O-OG 2.97Å; V522-K526 PolarHBondContact O-N 2.64Å |
| 523 | W | 31.1 | Very low | 36.3 | Very low | 180 Ų | 180 | 100.2 Ų | 100.2 | 68% | 0.682 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.2 | -42.3 | 176.5 | -76 | 28.4 | 0 | 0 | 0 | 111.7 | S519 S521 I527 | S519-W523 PolarHBondContact O-N 3.08Å; S521-W523 VanDerWaalsContact C-N 3.33Å; W523-I527 WeakPolarHBondContact O-CB 3.25Å; W523-I527 WeakPolarHBondContact O-CD1 3.23Å; W523-I527 VanDerWaalsContact O-CG1 3.29Å; W523-I527 WeakPolarHBondContact O-CG1 3.19Å; W523-I527 PolarHBondContact O-N 3.33Å; W523-I527 VanDerWaalsContact O-N 3.15Å |
| 524 | N | 41 | Very low | 37.2 | Very low | 97 Ų | 97 | 96.6 Ų | 96.6 | 52% | 0.519 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.7 | -39.4 | -179.4 | -80.3 | -14.8 | 0 | 0 | 0 | 112.9 | I528 | N524-I528 HydrophobicContact CB-CD1 4.41Å; N524-I528 WeakPolarHBondContact O-CB 3.37Å; N524-I528 VanDerWaalsContact O-CD1 3.27Å; N524-I528 WeakPolarHBondContact O-CD1 3.44Å; N524-I528 WeakPolarHBondContact O-CG1 3.49Å; N524-I528 PolarHBondContact O-N 2.87Å |
| 525 | S | 37.3 | Very low | 38.1 | Very low | 70 Ų | 70 | 91.7 Ų | 91.7 | 49% | 0.49 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.5 | -41.6 | -177.3 | 63.3 | 0 | 0 | 0 | 0 | 112.6 | S521 V522 S529 | S521-S525 PolarHBondContact O-N 3.03Å; V522-S525 PolarHBondContact O-OG 2.97Å; S525-S529 WeakPolarHBondContact O-CB 3.29Å; S525-S529 PolarHBondContact O-N 3.04Å; S525-S529 PolarHBondContact O-OG 2.67Å; S525-S529 VanDerWaalsContact O-OG 3.09Å |
| 526 | K | 42 | Very low | 39.1 | Very low | 131 Ų | 131 | 87.8 Ų | 87.8 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.4 | -47.2 | 176.9 | -77.2 | -173.7 | 176.6 | -177.1 | 0 | 111.8 | V522 I528 S529 H530 | V522-K526 PolarHBondContact O-N 2.64Å; K526-I528 VanDerWaalsContact C-N 3.32Å; K526-I528 PolarHBondContact O-N 3.43Å; K526-S529 WeakPolarHBondContact CA-OG 3.46Å; K526-S529 PolarHBondContact O-N 2.96Å; K526-S529 PolarHBondContact O-OG 2.96Å; K526-H530 VanDerWaalsContact O-CB 3.3Å; K526-H530 WeakPolarHBondContact O-CB 3.27Å; K526-H530 PolarHBondContact O-CD2 3.17Å; K526-H530 VanDerWaalsContact O-CG 3.25Å; K526-H530 PolarHBondContact O-N 2.92Å |
| 527 | I | 46.3 | Very low | 40.1 | Very low | 83 Ų | 83 | 84 Ų | 84 | 43% | 0.426 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 178.5 | -67.5 | 168.3 | 0 | 0 | 0 | 110.5 | W523 H530 L531 | W523-I527 WeakPolarHBondContact O-CB 3.25Å; W523-I527 WeakPolarHBondContact O-CD1 3.23Å; W523-I527 VanDerWaalsContact O-CG1 3.29Å; W523-I527 WeakPolarHBondContact O-CG1 3.19Å; W523-I527 PolarHBondContact O-N 3.33Å; W523-I527 VanDerWaalsContact O-N 3.15Å; I527-H530 CarbonylContact O-C 3.45Å; I527-H530 PolarHBondContact O-N 3.05Å; I527-L531 HydrophobicContact CG2-CD1 3.51Å; I527-L531 HydrophobicContact CG2-CG 4.3Å; I527-L531 VanDerWaalsContact O-CB 3.29Å; I527-L531 WeakPolarHBondContact O-CB 3.22Å; I527-L531 WeakPolarHBondContact O-CG 3.09Å; I527-L531 PolarHBondContact O-N 3.4Å |
| 528 | I | 39.3 | Very low | 41.2 | Very low | 99 Ų | 99 | 79.7 Ų | 79.7 | 51% | 0.508 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.9 | -46.3 | 176.7 | -68.4 | 166.3 | 0 | 0 | 0 | 111 | N524 K526 H530 L531 V532 | N524-I528 HydrophobicContact CB-CD1 4.41Å; N524-I528 WeakPolarHBondContact O-CB 3.37Å; N524-I528 VanDerWaalsContact O-CD1 3.27Å; N524-I528 WeakPolarHBondContact O-CD1 3.44Å; N524-I528 WeakPolarHBondContact O-CG1 3.49Å; N524-I528 PolarHBondContact O-N 2.87Å; K526-I528 VanDerWaalsContact C-N 3.32Å; K526-I528 PolarHBondContact O-N 3.43Å; I528-H530 PolarHBondContact O-N 3.43Å; I528-L531 PolarHBondContact O-N 3.33Å; I528-V532 HydrophobicContact CG2-CG2 4.21Å; I528-V532 VanDerWaalsContact O-CB 3.28Å; I528-V532 WeakPolarHBondContact O-CB 3.43Å; I528-V532 WeakPolarHBondContact O-CG2 3.37Å; I528-V532 PolarHBondContact O-N 2.94Å |
| 529 | S | 46.7 | Very low | 42.2 | Very low | 61 Ų | 61 | 77.3 Ų | 77.3 | 43% | 0.427 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.3 | -35 | 176.5 | 58.8 | 0 | 0 | 0 | 0 | 112 | S525 K526 N533 | S525-S529 WeakPolarHBondContact O-CB 3.29Å; S525-S529 PolarHBondContact O-N 3.04Å; S525-S529 PolarHBondContact O-OG 2.67Å; S525-S529 VanDerWaalsContact O-OG 3.09Å; K526-S529 WeakPolarHBondContact CA-OG 3.46Å; K526-S529 PolarHBondContact O-N 2.96Å; K526-S529 PolarHBondContact O-OG 2.96Å; S529-N533 PolarHBondContact O-N 3.29Å; S529-N533 VanDerWaalsContact O-N 3.16Å |
| 530 | H | 42.9 | Very low | 42.9 | Very low | 99 Ų | 99 | 75.2 Ų | 75.2 | 46% | 0.458 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -81.2 | -28.9 | 179.2 | -69.6 | -54.6 | 0 | 0 | 0 | 114.2 | K526 I527 I528 V532 N533 N536 | K526-H530 VanDerWaalsContact O-CB 3.3Å; K526-H530 WeakPolarHBondContact O-CB 3.27Å; K526-H530 PolarHBondContact O-CD2 3.17Å; K526-H530 VanDerWaalsContact O-CG 3.25Å; K526-H530 PolarHBondContact O-N 2.92Å; I527-H530 CarbonylContact O-C 3.45Å; I527-H530 PolarHBondContact O-N 3.05Å; I528-H530 PolarHBondContact O-N 3.43Å; H530-V532 VanDerWaalsContact C-N 3.32Å; H530-N533 WeakPolarHBondContact O-CB 3.06Å; H530-N536 PolarHBondContact O-ND2 3.32Å |
| 531 | L | 39.1 | Very low | 43.8 | Very low | 33 Ų | 33 | 70.5 Ų | 70.5 | 17% | 0.173 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -70.2 | -32.6 | 168.6 | -86.7 | 158.3 | 0 | 0 | 0 | 111.3 | I527 I528 N533 A540 I550 | I527-L531 HydrophobicContact CG2-CD1 3.51Å; I527-L531 HydrophobicContact CG2-CG 4.3Å; I527-L531 VanDerWaalsContact O-CB 3.29Å; I527-L531 WeakPolarHBondContact O-CB 3.22Å; I527-L531 WeakPolarHBondContact O-CG 3.09Å; I527-L531 PolarHBondContact O-N 3.4Å; I528-L531 PolarHBondContact O-N 3.33Å; L531-N533 VanDerWaalsContact C-N 3.33Å; L531-A540 HydrophobicContact CD2-CB 3.73Å; L531-I550 HydrophobicContact CD1-CD1 4.04Å; L531-I550 HydrophobicContact CD2-CD1 4.05Å; L531-I550 HydrophobicContact CD2-CG2 4.34Å |
| 532 | V | 37.7 | Very low | 44.8 | Very low | 91 Ų | 91 | 66.9 Ų | 66.9 | 55% | 0.552 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -78.7 | -16.3 | 177.8 | 174.8 | 0 | 0 | 0 | 0 | 112.2 | I528 H530 S534 | I528-V532 HydrophobicContact CG2-CG2 4.21Å; I528-V532 VanDerWaalsContact O-CB 3.28Å; I528-V532 WeakPolarHBondContact O-CB 3.43Å; I528-V532 WeakPolarHBondContact O-CG2 3.37Å; I528-V532 PolarHBondContact O-N 2.94Å; H530-V532 VanDerWaalsContact C-N 3.32Å; V532-S534 PolarHBondContact O-N 2.95Å |
| 533 | N | 44.8 | Very low | 45.5 | Very low | 86 Ų | 86 | 63.6 Ų | 63.6 | 46% | 0.46 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -54.3 | 129 | 164.7 | -80.8 | -8.5 | 0 | 0 | 0 | 108.3 | S529 H530 L531 N535 N536 | S529-N533 PolarHBondContact O-N 3.29Å; S529-N533 VanDerWaalsContact O-N 3.16Å; H530-N533 WeakPolarHBondContact O-CB 3.06Å; L531-N533 VanDerWaalsContact C-N 3.33Å; N533-N535 PolarHBondContact O-N 3.38Å; N533-N536 PolarHBondContact O-N 3.19Å |
| 534 | S | 44.7 | Very low | 46.5 | Very low | 73 Ų | 73 | 58 Ų | 58 | 51% | 0.51 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.7 | -27.3 | -176.7 | 49.1 | 0 | 0 | 0 | 0 | 113.5 | V532 N536 | V532-S534 PolarHBondContact O-N 2.95Å; S534-N536 PolarHBondContact O-N 2.93Å |
| 535 | N | 45.2 | Very low | 47.2 | Very low | 87 Ų | 87 | 54.2 Ų | 54.2 | 47% | 0.465 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -19.4 | -175.2 | -64.6 | -4.2 | 0 | 0 | 0 | 115.3 | N533 Q570 | N533-N535 PolarHBondContact O-N 3.38Å; N535-Q570 PolarHBondContact O-OE1 3.42Å; N535-Q570 PolarHBondContact OD1-NE2 2.86Å; N535-Q570 VanDerWaalsContact OD1-NE2 3.14Å |
| 536 | N | 47.1 | Very low | 47.9 | Very low | 47 Ų | 47 | 52.4 Ų | 52.4 | 25% | 0.251 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | -6 | -174.2 | -70.2 | -25.2 | 0 | 0 | 0 | 113.9 | H530 N533 S534 G538 L539 A540 | H530-N536 PolarHBondContact O-ND2 3.32Å; N533-N536 PolarHBondContact O-N 3.19Å; S534-N536 PolarHBondContact O-N 2.93Å; N536-G538 VanDerWaalsContact C-N 3.34Å; N536-G538 PolarHBondContact O-N 3.29Å; N536-L539 PolarHBondContact O-N 3.34Å; N536-A540 PolarHBondContact O-N 3.34Å; N536-A540 VanDerWaalsContact O-N 3.14Å |
| 537 | V | 50.9 | Low | 48.4 | Very low | 16 Ų | 16 | 54 Ų | 54 | 10% | 0.097 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.9 | -43.2 | -173.8 | -178 | 0 | 0 | 0 | 0 | 111.2 | L539 A540 V541 W743 | V537-L539 VanDerWaalsContact C-N 3.29Å; V537-L539 PolarHBondContact O-N 2.74Å; V537-A540 WeakPolarHBondContact O-CB 3.47Å; V537-A540 PolarHBondContact O-N 3.32Å; V537-V541 HydrophobicContact CG1-CG2 4.09Å; V537-V541 WeakPolarHBondContact O-CG2 3.34Å; V537-V541 PolarHBondContact O-N 3.1Å; V537-W743 HydrophobicContact CG1-CB 4.35Å; V537-W743 VanDerWaalsContact CG1-O 3.27Å; V537-W743 WeakPolarHBondContact CG1-O 3.28Å |
| 538 | G | 53.9 | Low | 48.4 | Very low | 14 Ų | 14 | 52 Ų | 52 | 14% | 0.144 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.5 | -36.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | N536 V541 F542 | N536-G538 VanDerWaalsContact C-N 3.34Å; N536-G538 PolarHBondContact O-N 3.29Å; G538-V541 PolarHBondContact O-N 3.18Å; G538-F542 WeakPolarHBondContact O-CB 3.47Å; G538-F542 PolarHBondContact O-N 2.79Å |
| 539 | L | 52.6 | Low | 48.5 | Very low | 32 Ų | 32 | 53 Ų | 53 | 17% | 0.168 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -72.8 | -39.8 | 177.2 | -170.7 | 127 | 0 | 0 | 0 | 111.8 | N536 V537 V541 F542 C543 I550 F554 F574 | N536-L539 PolarHBondContact O-N 3.34Å; V537-L539 VanDerWaalsContact C-N 3.29Å; V537-L539 PolarHBondContact O-N 2.74Å; L539-V541 VanDerWaalsContact C-N 3.34Å; L539-F542 WeakPolarHBondContact O-CB 3.32Å; L539-F542 PolarHBondContact O-N 3.47Å; L539-C543 PolarHBondContact O-N 3.17Å; L539-C543 PolarHBondContact O-SG 3.14Å; L539-I550 HydrophobicContact CD2-CG2 4.38Å; L539-F554 HydrophobicContact CD2-CE1 4.07Å; L539-F554 HydrophobicContact CD2-CZ 4.11Å; L539-F574 HydrophobicContact CD1-CB 4.39Å; L539-F574 HydrophobicContact CD1-CD2 3.3Å; L539-F574 HydrophobicContact CD1-CE2 3.68Å; L539-F574 HydrophobicContact CD1-CG 3.92Å |
| 540 | A | 49 | Very low | 48.6 | Very low | 18 Ų | 18 | 53 Ų | 53 | 15% | 0.149 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.5 | L531 N536 V537 C543 C544 | L531-A540 HydrophobicContact CD2-CB 3.73Å; N536-A540 PolarHBondContact O-N 3.34Å; N536-A540 VanDerWaalsContact O-N 3.14Å; V537-A540 WeakPolarHBondContact O-CB 3.47Å; V537-A540 PolarHBondContact O-N 3.32Å; A540-C543 PolarHBondContact O-N 2.99Å; A540-C544 WeakPolarHBondContact O-CB 3.18Å; A540-C544 PolarHBondContact O-N 3.21Å; A540-C544 PolarHBondContact O-SG 2.93Å |
| 541 | V | 52.9 | Low | 48.8 | Very low | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61 | -45.9 | 174.7 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | V537 G538 L539 C544 L545 I746 L749 | V537-V541 HydrophobicContact CG1-CG2 4.09Å; V537-V541 WeakPolarHBondContact O-CG2 3.34Å; V537-V541 PolarHBondContact O-N 3.1Å; G538-V541 PolarHBondContact O-N 3.18Å; L539-V541 VanDerWaalsContact C-N 3.34Å; V541-C544 WeakPolarHBondContact O-CB 3.41Å; V541-C544 PolarHBondContact O-N 3.47Å; V541-L545 HydrophobicContact CG1-CD1 3.81Å; V541-L545 HydrophobicContact CG1-CG 4.37Å; V541-L545 WeakPolarHBondContact O-CG 3.38Å; V541-L545 PolarHBondContact O-N 3.43Å; V541-I746 HydrophobicContact CG1-CG1 4.45Å; V541-I746 HydrophobicContact CG1-CG2 4.39Å; V541-I746 HydrophobicContact CG2-CD1 4.31Å; V541-I746 HydrophobicContact CG2-CG1 3.67Å; V541-L749 HydrophobicContact CG1-CB 4.32Å; V541-L749 HydrophobicContact CG1-CD1 3.84Å; V541-L749 HydrophobicContact CG2-CD1 4.45Å |
| 542 | F | 57 | Low | 48.9 | Very low | 12 Ų | 12 | 56.4 Ų | 56.4 | 5% | 0.053 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59 | -48.4 | 177.4 | 177.2 | -99.4 | 0 | 0 | 0 | 112.1 | G538 L539 C544 L545 L546 F574 P699 I702 A703 I706 | G538-F542 WeakPolarHBondContact O-CB 3.47Å; G538-F542 PolarHBondContact O-N 2.79Å; L539-F542 WeakPolarHBondContact O-CB 3.32Å; L539-F542 PolarHBondContact O-N 3.47Å; F542-C544 VanDerWaalsContact C-N 3.31Å; F542-C544 PolarHBondContact O-N 3.1Å; F542-L545 PolarHBondContact O-N 3.45Å; F542-L545 VanDerWaalsContact O-N 3.1Å; F542-L546 HydrophobicContact CD1-CD1 4.11Å; F542-L546 HydrophobicContact CD2-CD1 4.39Å; F542-L546 HydrophobicContact CE1-CD1 3.35Å; F542-L546 HydrophobicContact CE2-CD1 3.67Å; F542-L546 HydrophobicContact CZ-CD1 3.09Å; F542-L546 HydrophobicContact CZ-CG 4.32Å; F542-L546 PolarHBondContact O-N 2.95Å; F542-F574 AromaticContact CD1-CE1 3.66Å; F542-F574 HydrophobicContact CD1-CE1 3.66Å; F542-F574 AromaticContact CD1-CZ 3.76Å; F542-F574 HydrophobicContact CD1-CZ 3.76Å; F542-F574 AromaticContact CE1-CE1 3.44Å; F542-F574 HydrophobicContact CE1-CE1 3.44Å; F542-F574 VanDerWaalsContact CE1-CE1 3.44Å; F542-F574 AromaticContact CE1-CZ 3.47Å; F542-F574 HydrophobicContact CE1-CZ 3.47Å; F542-F574 VanDerWaalsContact CE1-CZ 3.47Å; F542-F574 HydrophobicContact CE2-CE1 4.44Å; F542-F574 HydrophobicContact CG-CE1 4.24Å; F542-F574 AromaticContact CZ-CE1 3.85Å; F542-F574 HydrophobicContact CZ-CE1 3.85Å; F542-F574 HydrophobicContact CZ-CZ 4.25Å; F542-P699 HydrophobicContact CE1-CB 4.43Å; F542-P699 HydrophobicContact CE2-CB 4.45Å; F542-P699 WeakPolarHBondContact CE2-O 3.4Å; F542-P699 HydrophobicContact CZ-CB 3.59Å; F542-I702 HydrophobicContact CD2-CG2 4.44Å; F542-I702 HydrophobicContact CE2-CB 4.15Å; F542-I702 HydrophobicContact CE2-CG2 4.32Å; F542-A703 HydrophobicContact CD2-CB 4Å; F542-A703 HydrophobicContact CE2-CB 3.62Å; F542-A703 HydrophobicContact CZ-CB 4.33Å; F542-I706 HydrophobicContact CB-CD1 4.49Å; F542-I706 HydrophobicContact CD2-CD1 3.88Å |
| 543 | C | 54.5 | Low | 49.1 | Very low | 6 Ų | 6 | 55.7 Ų | 55.7 | 4% | 0.041 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 176.6 | -64.2 | 0 | 0 | 0 | 0 | 111.8 | L539 A540 L545 L546 H547 S548 I550 | L539-C543 PolarHBondContact O-N 3.17Å; L539-C543 PolarHBondContact O-SG 3.14Å; A540-C543 PolarHBondContact O-N 2.99Å; C543-L545 VanDerWaalsContact C-N 3.29Å; C543-L545 PolarHBondContact O-N 3.24Å; C543-L546 PolarHBondContact O-N 2.93Å; C543-H547 PolarHBondContact O-N 3.41Å; C543-S548 WeakPolarHBondContact CA-OG 3.31Å; C543-S548 WeakPolarHBondContact CB-O 3.35Å; C543-S548 PolarHBondContact O-N 3.01Å; C543-I550 HydrophobicContact CB-CG1 3.96Å |
| 544 | C | 52.3 | Low | 48.8 | Very low | 64 Ų | 64 | 55.5 Ų | 55.5 | 43% | 0.432 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.5 | -29.3 | 175 | -76.3 | 0 | 0 | 0 | 0 | 113.7 | A540 V541 F542 | A540-C544 WeakPolarHBondContact O-CB 3.18Å; A540-C544 PolarHBondContact O-N 3.21Å; A540-C544 PolarHBondContact O-SG 2.93Å; V541-C544 WeakPolarHBondContact O-CB 3.41Å; V541-C544 PolarHBondContact O-N 3.47Å; F542-C544 VanDerWaalsContact C-N 3.31Å; F542-C544 PolarHBondContact O-N 3.1Å |
| 545 | L | 54.4 | Low | 48.3 | Very low | 17 Ų | 17 | 55.9 Ų | 55.9 | 9% | 0.089 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -81.3 | -34 | 178.8 | -74.7 | 169.7 | 0 | 0 | 0 | 112.6 | V541 F542 C543 H547 I706 R750 | V541-L545 HydrophobicContact CG1-CD1 3.81Å; V541-L545 HydrophobicContact CG1-CG 4.37Å; V541-L545 WeakPolarHBondContact O-CG 3.38Å; V541-L545 PolarHBondContact O-N 3.43Å; F542-L545 PolarHBondContact O-N 3.45Å; F542-L545 VanDerWaalsContact O-N 3.1Å; C543-L545 VanDerWaalsContact C-N 3.29Å; C543-L545 PolarHBondContact O-N 3.24Å; L545-H547 VanDerWaalsContact C-N 3.33Å; L545-I706 HydrophobicContact CB-CD1 4.43Å; L545-I706 HydrophobicContact CD1-CD1 3.28Å; L545-I706 HydrophobicContact CD1-CG1 3.62Å; L545-I706 HydrophobicContact CG-CD1 4.45Å; L545-R750 HydrophobicContact CD2-CB 3.67Å; L545-R750 HydrophobicContact CD2-CG 3.76Å |
| 546 | L | 53.5 | Low | 47.6 | Very low | 32 Ų | 32 | 58.5 Ų | 58.5 | 17% | 0.168 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -83 | -7.2 | 174.4 | -85.4 | 168.9 | 0 | 0 | 0 | 114.3 | F542 C543 S548 I702 | F542-L546 HydrophobicContact CD1-CD1 4.11Å; F542-L546 HydrophobicContact CD2-CD1 4.39Å; F542-L546 HydrophobicContact CE1-CD1 3.35Å; F542-L546 HydrophobicContact CE2-CD1 3.67Å; F542-L546 HydrophobicContact CZ-CD1 3.09Å; F542-L546 HydrophobicContact CZ-CG 4.32Å; F542-L546 PolarHBondContact O-N 2.95Å; C543-L546 PolarHBondContact O-N 2.93Å; L546-S548 PolarHBondContact O-N 3.08Å; L546-I702 HydrophobicContact CD2-CD1 3.41Å; L546-I702 VanDerWaalsContact CD2-CD1 3.41Å; L546-I702 HydrophobicContact CG-CD1 3.93Å |
| 547 | H | 50.7 | Low | 46.9 | Very low | 163 Ų | 163 | 62.5 Ų | 62.5 | 76% | 0.755 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 30.1 | -165.2 | -61.4 | -73.8 | 0 | 0 | 0 | 112.9 | C543 L545 | C543-H547 PolarHBondContact O-N 3.41Å; L545-H547 VanDerWaalsContact C-N 3.33Å |
| 548 | S | 47 | Very low | 45.9 | Very low | 43 Ų | 43 | 69.3 Ų | 69.3 | 30% | 0.301 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -93.4 | 149.3 | 179.4 | 63.6 | 0 | 0 | 0 | 0 | 111.6 | C543 L546 | C543-S548 WeakPolarHBondContact CA-OG 3.31Å; C543-S548 WeakPolarHBondContact CB-O 3.35Å; C543-S548 PolarHBondContact O-N 3.01Å; L546-S548 PolarHBondContact O-N 3.08Å |
| 549 | P | 42.3 | Very low | 44.9 | Very low | 119 Ų | 119 | 74.5 Ų | 74.5 | 77% | 0.773 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -67 | 147.9 | 173 | 28.4 | -33.2 | 0 | 0 | 0 | 111.1 | ||
| 550 | I | 47.9 | Very low | 43.8 | Very low | 60 Ų | 60 | 82.3 Ų | 82.3 | 31% | 0.308 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 129.6 | 174.5 | -59 | 164.7 | 0 | 0 | 0 | 107.4 | L531 L539 C543 F554 | L531-I550 HydrophobicContact CD1-CD1 4.04Å; L531-I550 HydrophobicContact CD2-CD1 4.05Å; L531-I550 HydrophobicContact CD2-CG2 4.34Å; L539-I550 HydrophobicContact CD2-CG2 4.38Å; C543-I550 HydrophobicContact CB-CG1 3.96Å; I550-F554 HydrophobicContact CG2-CE2 4.26Å; I550-F554 HydrophobicContact CG2-CZ 3.9Å |
| 551 | P | 46.8 | Very low | 42.9 | Very low | 37 Ų | 37 | 88.3 Ų | 88.3 | 24% | 0.24 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 138.8 | -179 | -22 | 32.2 | 0 | 0 | 0 | 113.1 | S553 F554 I591 | P551-S553 PolarHBondContact O-N 2.86Å; P551-F554 VanDerWaalsContact O-CE2 3.29Å; P551-F554 WeakPolarHBondContact O-CE2 3.4Å; P551-I591 HydrophobicContact CG-CD1 4.23Å |
| 552 | D | 41.7 | Very low | 41.7 | Very low | 168 Ų | 168 | 97.6 Ų | 97.6 | 90% | 0.898 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -74.7 | -21.5 | -173.7 | -70.3 | -34.4 | 0 | 0 | 0 | 114.4 | ||
| 553 | S | 41.7 | Very low | 40.5 | Very low | 75 Ų | 75 | 103.5 Ų | 103.5 | 52% | 0.524 | 55% | 0.547 | S | S | . | . | trans | -112.3 | 103.7 | -173.7 | 60.7 | 0 | 0 | 0 | 0 | 112.7 | P551 | P551-S553 PolarHBondContact O-N 2.86Š| ||
| 554 | F | 39.5 | Very low | 39.4 | Very low | 83 Ų | 83 | 111 Ų | 111 | 36% | 0.364 | 59% | 0.587 | S | S | . | * | trans | -99.7 | 109.3 | 168.2 | -65.6 | -82.3 | 0 | 0 | 0 | 109.5 | L539 I550 P551 L556 | L539-F554 HydrophobicContact CD2-CE1 4.07Å; L539-F554 HydrophobicContact CD2-CZ 4.11Å; I550-F554 HydrophobicContact CG2-CE2 4.26Å; I550-F554 HydrophobicContact CG2-CZ 3.9Å; P551-F554 VanDerWaalsContact O-CE2 3.29Å; P551-F554 WeakPolarHBondContact O-CE2 3.4Å; F554-L556 PolarHBondContact O-N 3.37Å | ||
| 555 | A | 34.4 | Very low | 38.6 | Very low | 80 Ų | 80 | 114.8 Ų | 114.8 | 66% | 0.661 | 60% | 0.597 | S | S | * | * | trans | -69.8 | 119.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | I557 | A555-I557 PolarHBondContact O-N 3.35Š| ||
| 556 | L | 30.4 | Very low | 38 | Very low | 142 Ų | 142 | 118.7 Ų | 118.7 | 74% | 0.743 | 62% | 0.621 | S | S | * | * | trans | -60.3 | 125 | 179.3 | -65.9 | 159.1 | 0 | 0 | 0 | 110.2 | F554 E558 | F554-L556 PolarHBondContact O-N 3.37Å; L556-E558 VanDerWaalsContact C-N 3.26Å; L556-E558 HydrophobicContact CB-CG 4.19Å; L556-E558 PolarHBondContact O-N 2.9Å | ||
| 557 | I | 32.4 | Very low | 37.7 | Very low | 132 Ų | 132 | 119.4 Ų | 119.4 | 68% | 0.677 | 63% | 0.629 | S | S | * | * | trans | -82.2 | 85 | 157.6 | -58.6 | 174.6 | 0 | 0 | 0 | 105.5 | A555 N559 | A555-I557 PolarHBondContact O-N 3.35Å; I557-N559 HydrophobicContact CG2-CB 4.02Å; I557-N559 PolarHBondContact O-N 2.87Å; I557-N559 VanDerWaalsContact O-N 3.07Å | ||
| 558 | E | 29.1 | Very low | 37.6 | Very low | 158 Ų | 158 | 112.6 Ų | 112.6 | 74% | 0.738 | 60% | 0.599 | S | S | * | * | trans | -76.1 | 75.3 | 162.8 | -74.9 | -177.6 | 175.6 | 0 | 0 | 108.1 | L556 | L556-E558 VanDerWaalsContact C-N 3.26Å; L556-E558 HydrophobicContact CB-CG 4.19Å; L556-E558 PolarHBondContact O-N 2.9Å | ||
| 559 | N | 31.8 | Very low | 37.8 | Very low | 124 Ų | 124 | 111.9 Ų | 111.9 | 66% | 0.663 | 60% | 0.597 | S | S | * | * | trans | -126.2 | 102.6 | 164 | -76.2 | -32.7 | 0 | 0 | 0 | 107.2 | I557 H561 | I557-N559 HydrophobicContact CG2-CB 4.02Å; I557-N559 PolarHBondContact O-N 2.87Å; I557-N559 VanDerWaalsContact O-N 3.07Å; N559-H561 PolarHBondContact O-N 3.41Å | ||
| 560 | E | 30.9 | Very low | 38.3 | Very low | 196 Ų | 196 | 109 Ų | 109 | 92% | 0.916 | 57% | 0.573 | S | S | * | * | trans | -67.1 | 27.7 | 175.7 | -66.6 | -169.5 | 149.3 | 0 | 0 | 113.8 | ||||
| 561 | H | 30.7 | Very low | 38.5 | Very low | 143 Ų | 143 | 107 Ų | 107 | 66% | 0.662 | 56% | 0.563 | S | S | * | * | trans | -101 | 96.6 | 169.2 | -68.8 | -46.2 | 0 | 0 | 0 | 108.1 | N559 H563 | N559-H561 PolarHBondContact O-N 3.41Å; H561-H563 PolarHBondContact O-N 3.18Å | ||
| 562 | E | 27.7 | Very low | 38.7 | Very low | 196 Ų | 196 | 106.1 Ų | 106.1 | 92% | 0.916 | 56% | 0.556 | S | S | * | * | trans | -53.8 | 74.9 | 159.8 | -69.8 | -177.4 | 156.4 | 0 | 0 | 109.4 | ||||
| 563 | H | 30 | Very low | 39.2 | Very low | 135 Ų | 135 | 100.7 Ų | 100.7 | 63% | 0.625 | 53% | 0.528 | S | S | * | . | trans | -94.5 | 125.1 | 154.7 | -73.1 | -47.9 | 0 | 0 | 0 | 105.7 | H561 F565 | H561-H563 PolarHBondContact O-N 3.18Å; H563-F565 HydrophobicContact CB-CE2 4.23Å; H563-F565 HydrophobicContact CB-CZ 4.4Å; H563-F565 WeakPolarHBondContact O-CD2 3.42Å; H563-F565 PolarHBondContact O-N 3.01Å | ||
| 564 | D | 32.6 | Very low | 39.8 | Very low | 164 Ų | 164 | 98.1 Ų | 98.1 | 88% | 0.877 | 51% | 0.508 | S | S | * | . | trans | -52.5 | 80.7 | 172.8 | -70.4 | -43.2 | 0 | 0 | 0 | 110.1 | T566 | D564-T566 VanDerWaalsContact C-N 3.28Å; D564-T566 PolarHBondContact O-N 3.04Å | ||
| 565 | F | 34.7 | Very low | 40.4 | Very low | 144 Ų | 144 | 94.2 Ų | 94.2 | 63% | 0.632 | 49% | 0.491 | S | S | * | . | trans | -72.2 | 94 | 172 | -71.8 | -71.6 | 0 | 0 | 0 | 105.7 | H563 S567 A569 | H563-F565 HydrophobicContact CB-CE2 4.23Å; H563-F565 HydrophobicContact CB-CZ 4.4Å; H563-F565 WeakPolarHBondContact O-CD2 3.42Å; H563-F565 PolarHBondContact O-N 3.01Å; F565-S567 PolarHBondContact O-N 3.47Å; F565-A569 HydrophobicContact CB-CB 4.49Å; F565-A569 HydrophobicContact CD1-CB 4.4Å | ||
| 566 | T | 43 | Very low | 41.2 | Very low | 98 Ų | 98 | 94.5 Ų | 94.5 | 60% | 0.601 | 48% | 0.478 | S | S | * | . | trans | -44.9 | 128.7 | 166.9 | 52.9 | 0 | 0 | 0 | 0 | 108.2 | D564 S568 A569 | D564-T566 VanDerWaalsContact C-N 3.28Å; D564-T566 PolarHBondContact O-N 3.04Å; T566-S568 PolarHBondContact O-N 3.45Å; T566-S568 PolarHBondContact O-OG 3.14Å; T566-S568 PolarHBondContact OG1-OG 3.29Å; T566-S568 VanDerWaalsContact OG1-OG 3.06Å; T566-A569 PolarHBondContact O-N 3.3Å | ||
| 567 | S | 47 | Very low | 42.1 | Very low | 48 Ų | 48 | 92.3 Ų | 92.3 | 34% | 0.336 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45 | -19.1 | -175.3 | 53.7 | 0 | 0 | 0 | 0 | 116.1 | F565 A569 Q711 | F565-S567 PolarHBondContact O-N 3.47Å; S567-A569 VanDerWaalsContact C-N 3.26Å; S567-A569 PolarHBondContact O-N 3.04Å; S567-Q711 PolarHBondContact OG-NE2 2.86Å |
| 568 | S | 48.5 | Very low | 42.9 | Very low | 19 Ų | 19 | 86.6 Ų | 86.6 | 13% | 0.133 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -54.9 | -35.6 | 169.6 | 56.9 | 0 | 0 | 0 | 0 | 113.6 | T566 Q570 L572 | T566-S568 PolarHBondContact O-N 3.45Å; T566-S568 PolarHBondContact O-OG 3.14Å; T566-S568 PolarHBondContact OG1-OG 3.29Å; T566-S568 VanDerWaalsContact OG1-OG 3.06Å; S568-Q570 VanDerWaalsContact C-N 3.34Å; S568-Q570 PolarHBondContact O-N 3.43Å; S568-L572 WeakPolarHBondContact O-CB 3.33Å; S568-L572 PolarHBondContact O-N 3.18Å; S568-L572 VanDerWaalsContact O-N 3.08Å |
| 569 | A | 50.9 | Low | 43.8 | Very low | 29 Ų | 29 | 80 Ų | 80 | 24% | 0.24 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.8 | -34.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F565 T566 S567 L572 V573 | F565-A569 HydrophobicContact CB-CB 4.49Å; F565-A569 HydrophobicContact CD1-CB 4.4Å; T566-A569 PolarHBondContact O-N 3.3Å; S567-A569 VanDerWaalsContact C-N 3.26Å; S567-A569 PolarHBondContact O-N 3.04Å; A569-L572 WeakPolarHBondContact O-CB 3.5Å; A569-L572 PolarHBondContact O-N 3.39Å; A569-V573 WeakPolarHBondContact O-CB 3.39Å; A569-V573 WeakPolarHBondContact O-CG2 3.3Å; A569-V573 PolarHBondContact O-N 3.48Å |
| 570 | Q | 51.9 | Low | 44.3 | Very low | 59 Ų | 59 | 78.4 Ų | 78.4 | 28% | 0.276 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -75.6 | -37.6 | -175.6 | -72.7 | 154.9 | -1.7 | 0 | 0 | 112.9 | N535 S568 V573 F574 | N535-Q570 PolarHBondContact O-OE1 3.42Å; N535-Q570 PolarHBondContact OD1-NE2 2.86Å; N535-Q570 VanDerWaalsContact OD1-NE2 3.14Å; S568-Q570 VanDerWaalsContact C-N 3.34Å; S568-Q570 PolarHBondContact O-N 3.43Å; Q570-V573 CarbonylContact O-C 3.57Å; Q570-V573 WeakPolarHBondContact O-CB 3.17Å; Q570-V573 PolarHBondContact O-N 3Å; Q570-F574 PolarHBondContact O-N 3.42Å |
| 571 | L | 53.9 | Low | 44.9 | Very low | 18 Ų | 18 | 72.9 Ų | 72.9 | 9% | 0.094 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -75.2 | -32.6 | 174.5 | -156.6 | 151.7 | 0 | 0 | 0 | 110.6 | F574 L575 A703 A707 W743 | L571-F574 CarbonylContact O-C 3.22Å; L571-F574 PolarHBondContact O-N 3Å; L571-L575 HydrophobicContact CD2-CD1 3.83Å; L571-L575 HydrophobicContact CD2-CG 3.96Å; L571-L575 WeakPolarHBondContact O-CG 3.4Å; L571-L575 PolarHBondContact O-N 3.08Å; L571-A703 HydrophobicContact CD2-CB 4.46Å; L571-A707 HydrophobicContact CD1-CB 3.65Å; L571-A707 HydrophobicContact CD2-CB 3.45Å; L571-A707 VanDerWaalsContact CD2-CB 3.45Å; L571-A707 HydrophobicContact CG-CB 4.1Å; L571-W743 HydrophobicContact CD1-CH2 4.05Å; L571-W743 HydrophobicContact CD1-CZ3 3.99Å |
| 572 | L | 50.8 | Low | 45.2 | Very low | 17 Ų | 17 | 69.3 Ų | 69.3 | 9% | 0.089 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.4 | -47.4 | 164.4 | -108.4 | 158 | 0 | 0 | 0 | 111.7 | S568 A569 F574 L575 Q576 I624 T627 | S568-L572 WeakPolarHBondContact O-CB 3.33Å; S568-L572 PolarHBondContact O-N 3.18Å; S568-L572 VanDerWaalsContact O-N 3.08Å; A569-L572 WeakPolarHBondContact O-CB 3.5Å; A569-L572 PolarHBondContact O-N 3.39Å; L572-F574 VanDerWaalsContact C-N 3.26Å; L572-F574 PolarHBondContact O-N 3.31Å; L572-L575 PolarHBondContact O-N 3.02Å; L572-Q576 WeakPolarHBondContact O-CB 3.19Å; L572-Q576 PolarHBondContact O-N 3.47Å; L572-I624 HydrophobicContact CD2-CB 4.29Å; L572-I624 HydrophobicContact CD2-CG1 4.21Å; L572-I624 HydrophobicContact CD2-CG2 4.02Å; L572-T627 VanDerWaalsContact CD2-OG1 3.3Å; L572-T627 WeakPolarHBondContact CD2-OG1 3.31Å |
| 573 | V | 52.2 | Low | 45.5 | Very low | 54 Ų | 54 | 65.2 Ų | 65.2 | 33% | 0.327 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.3 | -36.3 | 174.7 | 167 | 0 | 0 | 0 | 0 | 110.6 | A569 Q570 R577 | A569-V573 WeakPolarHBondContact O-CB 3.39Å; A569-V573 WeakPolarHBondContact O-CG2 3.3Å; A569-V573 PolarHBondContact O-N 3.48Å; Q570-V573 CarbonylContact O-C 3.57Å; Q570-V573 WeakPolarHBondContact O-CB 3.17Å; Q570-V573 PolarHBondContact O-N 3Å; V573-R577 HydrophobicContact CG1-CG 4.36Å; V573-R577 VanDerWaalsContact O-CB 3.29Å; V573-R577 WeakPolarHBondContact O-CB 3.15Å; V573-R577 WeakPolarHBondContact O-CG 3.08Å; V573-R577 PolarHBondContact O-N 3.24Å |
| 574 | F | 53.7 | Low | 45.4 | Very low | 22 Ų | 22 | 65.7 Ų | 65.7 | 10% | 0.096 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70.4 | -45.3 | 174.6 | -179.2 | -108.8 | 0 | 0 | 0 | 112.8 | L539 F542 Q570 L571 L572 Q576 R577 L578 | L539-F574 HydrophobicContact CD1-CB 4.39Å; L539-F574 HydrophobicContact CD1-CD2 3.3Å; L539-F574 HydrophobicContact CD1-CE2 3.68Å; L539-F574 HydrophobicContact CD1-CG 3.92Å; F542-F574 AromaticContact CD1-CE1 3.66Å; F542-F574 HydrophobicContact CD1-CE1 3.66Å; F542-F574 AromaticContact CD1-CZ 3.76Å; F542-F574 HydrophobicContact CD1-CZ 3.76Å; F542-F574 AromaticContact CE1-CE1 3.44Å; F542-F574 HydrophobicContact CE1-CE1 3.44Å; F542-F574 VanDerWaalsContact CE1-CE1 3.44Å; F542-F574 AromaticContact CE1-CZ 3.47Å; F542-F574 HydrophobicContact CE1-CZ 3.47Å; F542-F574 VanDerWaalsContact CE1-CZ 3.47Å; F542-F574 HydrophobicContact CE2-CE1 4.44Å; F542-F574 HydrophobicContact CG-CE1 4.24Å; F542-F574 AromaticContact CZ-CE1 3.85Å; F542-F574 HydrophobicContact CZ-CE1 3.85Å; F542-F574 HydrophobicContact CZ-CZ 4.25Å; Q570-F574 PolarHBondContact O-N 3.42Å; L571-F574 CarbonylContact O-C 3.22Å; L571-F574 PolarHBondContact O-N 3Å; L572-F574 VanDerWaalsContact C-N 3.26Å; L572-F574 PolarHBondContact O-N 3.31Å; F574-Q576 PolarHBondContact O-N 3.48Å; F574-R577 CarbonylContact O-C 3.57Å; F574-R577 PolarHBondContact O-N 2.89Å; F574-L578 HydrophobicContact CD1-CD1 3.85Å; F574-L578 HydrophobicContact CD1-CG 4.25Å; F574-L578 HydrophobicContact CE1-CD1 3.31Å; F574-L578 HydrophobicContact CE1-CD2 4.37Å; F574-L578 HydrophobicContact CE1-CG 3.81Å; F574-L578 HydrophobicContact CE2-CD2 4.32Å; F574-L578 HydrophobicContact CE2-CG 4.15Å; F574-L578 HydrophobicContact CZ-CD1 3.72Å; F574-L578 HydrophobicContact CZ-CD2 3.89Å; F574-L578 HydrophobicContact CZ-CG 3.75Å; F574-L578 WeakPolarHBondContact O-CB 3.39Å; F574-L578 WeakPolarHBondContact O-CG 3.35Å; F574-L578 PolarHBondContact O-N 3.32Å |
| 575 | L | 52 | Low | 45.1 | Very low | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.1 | -38.9 | 173.2 | -75.8 | 171.3 | 0 | 0 | 0 | 110.8 | L571 L572 L578 V579 I623 I624 A703 | L571-L575 HydrophobicContact CD2-CD1 3.83Å; L571-L575 HydrophobicContact CD2-CG 3.96Å; L571-L575 WeakPolarHBondContact O-CG 3.4Å; L571-L575 PolarHBondContact O-N 3.08Å; L572-L575 PolarHBondContact O-N 3.02Å; L575-L578 PolarHBondContact O-N 2.97Å; L575-V579 WeakPolarHBondContact O-CG2 3.47Å; L575-V579 PolarHBondContact O-N 3.09Å; L575-I623 HydrophobicContact CD1-CG2 3.84Å; L575-I624 HydrophobicContact CB-CD1 4.19Å; L575-I624 HydrophobicContact CB-CG1 4.06Å; L575-A703 HydrophobicContact CD2-CB 3.81Å |
| 576 | Q | 51.3 | Low | 44.6 | Very low | 86 Ų | 86 | 63.3 Ų | 63.3 | 40% | 0.402 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.6 | -43 | 175.5 | -171.2 | 175.4 | -8 | 0 | 0 | 111.2 | L572 F574 L578 V579 D580 I624 | L572-Q576 WeakPolarHBondContact O-CB 3.19Å; L572-Q576 PolarHBondContact O-N 3.47Å; F574-Q576 PolarHBondContact O-N 3.48Å; Q576-L578 PolarHBondContact O-N 2.65Å; Q576-V579 CarbonylContact O-C 3.6Å; Q576-V579 WeakPolarHBondContact O-CA 3.43Å; Q576-V579 WeakPolarHBondContact O-CB 3.27Å; Q576-V579 PolarHBondContact O-N 3.44Å; Q576-V579 VanDerWaalsContact O-N 3.07Å; Q576-D580 WeakPolarHBondContact O-CB 3.43Å; Q576-D580 PolarHBondContact O-N 3.49Å; Q576-I624 HydrophobicContact CB-CD1 4.31Å |
| 577 | R | 49.5 | Very low | 43.8 | Very low | 96 Ų | 96 | 64.9 Ų | 64.9 | 36% | 0.362 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.9 | -39.5 | 172.4 | -78 | 175.8 | -178.7 | -177 | 0.8 | 112.2 | V573 F574 V579 D580 E581 | V573-R577 HydrophobicContact CG1-CG 4.36Å; V573-R577 VanDerWaalsContact O-CB 3.29Å; V573-R577 WeakPolarHBondContact O-CB 3.15Å; V573-R577 WeakPolarHBondContact O-CG 3.08Å; V573-R577 PolarHBondContact O-N 3.24Å; F574-R577 CarbonylContact O-C 3.57Å; F574-R577 PolarHBondContact O-N 2.89Å; R577-V579 PolarHBondContact O-N 3.32Å; R577-D580 PolarHBondContact O-N 3.33Å; R577-E581 VanDerWaalsContact O-CB 3.28Å; R577-E581 WeakPolarHBondContact O-CB 3.47Å; R577-E581 WeakPolarHBondContact O-CG 3.16Å; R577-E581 PolarHBondContact O-N 2.8Å |
| 578 | L | 48.4 | Very low | 43 | Very low | 12 Ų | 12 | 65.8 Ų | 65.8 | 6% | 0.063 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.6 | -28.7 | 173.1 | -77.9 | 177.4 | 0 | 0 | 0 | 112.1 | F574 L575 Q576 N582 P699 | F574-L578 HydrophobicContact CD1-CD1 3.85Å; F574-L578 HydrophobicContact CD1-CG 4.25Å; F574-L578 HydrophobicContact CE1-CD1 3.31Å; F574-L578 HydrophobicContact CE1-CD2 4.37Å; F574-L578 HydrophobicContact CE1-CG 3.81Å; F574-L578 HydrophobicContact CE2-CD2 4.32Å; F574-L578 HydrophobicContact CE2-CG 4.15Å; F574-L578 HydrophobicContact CZ-CD1 3.72Å; F574-L578 HydrophobicContact CZ-CD2 3.89Å; F574-L578 HydrophobicContact CZ-CG 3.75Å; F574-L578 WeakPolarHBondContact O-CB 3.39Å; F574-L578 WeakPolarHBondContact O-CG 3.35Å; F574-L578 PolarHBondContact O-N 3.32Å; L575-L578 PolarHBondContact O-N 2.97Å; Q576-L578 PolarHBondContact O-N 2.65Å; L578-N582 PolarHBondContact O-ND2 3.01Å; L578-P699 HydrophobicContact CD1-CB 3.96Å; L578-P699 HydrophobicContact CD1-CG 4.01Å; L578-P699 HydrophobicContact CD2-CG 4.12Å |
| 579 | V | 47.5 | Very low | 42.1 | Very low | 20 Ų | 20 | 68 Ų | 68 | 12% | 0.121 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -78.2 | -49.1 | 172.5 | 172.5 | 0 | 0 | 0 | 0 | 111 | L575 Q576 R577 N582 S620 I624 | L575-V579 WeakPolarHBondContact O-CG2 3.47Å; L575-V579 PolarHBondContact O-N 3.09Å; Q576-V579 CarbonylContact O-C 3.6Å; Q576-V579 WeakPolarHBondContact O-CA 3.43Å; Q576-V579 WeakPolarHBondContact O-CB 3.27Å; Q576-V579 PolarHBondContact O-N 3.44Å; Q576-V579 VanDerWaalsContact O-N 3.07Å; R577-V579 PolarHBondContact O-N 3.32Å; V579-N582 PolarHBondContact O-N 3.31Å; V579-S620 VanDerWaalsContact CG2-CB 3.46Å; V579-S620 WeakPolarHBondContact CG2-OG 3.31Å; V579-I624 HydrophobicContact CG2-CD1 3.87Å |
| 580 | D | 42.6 | Very low | 41.2 | Very low | 90 Ų | 90 | 72.7 Ų | 72.7 | 48% | 0.481 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69.9 | -38.7 | -173.7 | -71.1 | -22.1 | 0 | 0 | 0 | 112.3 | Q576 R577 N582 V583 | Q576-D580 WeakPolarHBondContact O-CB 3.43Å; Q576-D580 PolarHBondContact O-N 3.49Å; R577-D580 PolarHBondContact O-N 3.33Å; D580-N582 PolarHBondContact O-N 3.12Å; D580-V583 PolarHBondContact O-N 3.3Å |
| 581 | E | 43.6 | Very low | 40.6 | Very low | 80 Ų | 80 | 73.2 Ų | 73.2 | 37% | 0.374 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -23.2 | 175.9 | -74 | -167.4 | -177.5 | 0 | 0 | 112.9 | R577 V583 I591 | R577-E581 VanDerWaalsContact O-CB 3.28Å; R577-E581 WeakPolarHBondContact O-CB 3.47Å; R577-E581 WeakPolarHBondContact O-CG 3.16Å; R577-E581 PolarHBondContact O-N 2.8Å; E581-V583 PolarHBondContact O-N 2.97Å; E581-I591 WeakPolarHBondContact OE2-CD1 3.48Å; E581-I591 VanDerWaalsContact OE2-CG1 3.23Å; E581-I591 WeakPolarHBondContact OE2-CG1 3.43Å |
| 582 | N | 38.1 | Very low | 40 | Very low | 69 Ų | 69 | 75.1 Ų | 75.1 | 37% | 0.369 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -15.1 | 171.2 | -75.6 | -26.9 | 0 | 0 | 0 | 112.6 | L578 V579 D580 | L578-N582 PolarHBondContact O-ND2 3.01Å; V579-N582 PolarHBondContact O-N 3.31Å; D580-N582 PolarHBondContact O-N 3.12Å |
| 583 | V | 32.9 | Very low | 39.5 | Very low | 109 Ų | 109 | 76.2 Ų | 76.2 | 66% | 0.661 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -20.6 | -175.3 | 178.6 | 0 | 0 | 0 | 0 | 113 | D580 E581 | D580-V583 PolarHBondContact O-N 3.3Å; E581-V583 PolarHBondContact O-N 2.97Å |
| 584 | Q | 27.9 | Very low | 39.3 | Very low | 145 Ų | 145 | 77.4 Ų | 77.4 | 68% | 0.678 | 44% | 0.437 | S | S | * | . | trans | -143 | 111.7 | 176.9 | -66.4 | -175.8 | -3.1 | 0 | 0 | 111.7 | L586 | Q584-L586 VanDerWaalsContact C-N 3.28Å; Q584-L586 PolarHBondContact O-N 2.97Å | ||
| 585 | S | 26.9 | Very low | 39.4 | Very low | 126 Ų | 126 | 80.1 Ų | 80.1 | 88% | 0.881 | 46% | 0.455 | S | S | * | . | trans | -60.3 | 87 | 168 | 56.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 586 | L | 24.8 | Very low | 39.7 | Very low | 133 Ų | 133 | 82.7 Ų | 82.7 | 70% | 0.696 | 47% | 0.469 | S | S | * | . | trans | -73 | 131.2 | 163.5 | -135 | 89.9 | 0 | 0 | 0 | 107.6 | Q584 G588 | Q584-L586 VanDerWaalsContact C-N 3.28Å; Q584-L586 PolarHBondContact O-N 2.97Å; L586-G588 PolarHBondContact O-N 3.05Å; L586-G588 VanDerWaalsContact O-N 3.1Å | ||
| 587 | P | 25.5 | Very low | 40.1 | Very low | 130 Ų | 130 | 83.6 Ų | 83.6 | 84% | 0.844 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | 108.1 | -175.6 | 27 | -25.9 | 0 | 0 | 0 | 109.5 | ||
| 588 | G | 29.8 | Very low | 40.7 | Very low | 68 Ų | 68 | 82.9 Ų | 82.9 | 70% | 0.701 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 138.2 | -20.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | L586 | L586-G588 PolarHBondContact O-N 3.05Å; L586-G588 VanDerWaalsContact O-N 3.1Å |
| 589 | V | 29.1 | Very low | 41.4 | Very low | 65 Ų | 65 | 85.4 Ų | 85.4 | 39% | 0.394 | 49% | 0.487 | S | S | . | . | trans | -115.6 | 91.1 | 179.2 | -175.7 | 0 | 0 | 0 | 0 | 108.5 | I591 | V589-I591 HydrophobicContact CG1-CG1 4.09Š| ||
| 590 | I | 33.4 | Very low | 42.2 | Very low | 127 Ų | 127 | 86.2 Ų | 86.2 | 65% | 0.651 | 49% | 0.488 | S | S | * | . | trans | -98.8 | 89.1 | 178.7 | -41.6 | 177.2 | 0 | 0 | 0 | 107 | N592 G593 | I590-N592 PolarHBondContact O-N 3.48Å; I590-G593 VanDerWaalsContact CG2-CA 3.44Å; I590-G593 VanDerWaalsContact O-CA 3.25Å; I590-G593 WeakPolarHBondContact O-CA 3.3Å; I590-G593 PolarHBondContact O-N 3.04Å | ||
| 591 | I | 39.4 | Very low | 43.1 | Very low | 71 Ų | 71 | 83.8 Ų | 83.8 | 36% | 0.364 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -30.8 | 175.2 | -62 | -167.1 | 0 | 0 | 0 | 110.5 | P551 E581 V589 G593 | P551-I591 HydrophobicContact CG-CD1 4.23Å; E581-I591 WeakPolarHBondContact OE2-CD1 3.48Å; E581-I591 VanDerWaalsContact OE2-CG1 3.23Å; E581-I591 WeakPolarHBondContact OE2-CG1 3.43Å; V589-I591 HydrophobicContact CG1-CG1 4.09Å; I591-G593 PolarHBondContact O-N 3.05Å |
| 592 | N | 41.4 | Very low | 44.2 | Very low | 58 Ų | 58 | 81.9 Ų | 81.9 | 31% | 0.31 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 38 | 167.9 | -69.8 | -11.1 | 0 | 0 | 0 | 112.1 | I590 Y594 | I590-N592 PolarHBondContact O-N 3.48Å; N592-Y594 PolarHBondContact O-N 3.5Å |
| 593 | G | 40.5 | Very low | 45.5 | Very low | 40 Ų | 40 | 78.9 Ų | 78.9 | 41% | 0.412 | 45% | 0.45 | S | S | . | . | trans | -61.4 | 31.1 | -173 | 0 | 0 | 0 | 0 | 0 | 116.4 | I590 I591 T595 Q598 | I590-G593 VanDerWaalsContact CG2-CA 3.44Å; I590-G593 VanDerWaalsContact O-CA 3.25Å; I590-G593 WeakPolarHBondContact O-CA 3.3Å; I590-G593 PolarHBondContact O-N 3.04Å; I591-G593 PolarHBondContact O-N 3.05Å; G593-T595 PolarHBondContact O-N 3.49Å; G593-Q598 PolarHBondContact O-OE1 3.03Å | ||
| 594 | Y | 47.9 | Very low | 47.2 | Very low | 78 Ų | 78 | 74.1 Ų | 74.1 | 31% | 0.306 | 42% | 0.421 | S | S | . | . | trans | -66.9 | 110.9 | 164.4 | -62 | -61.8 | 0 | 0 | 0 | 108.8 | N592 Q598 K599 Q602 | N592-Y594 PolarHBondContact O-N 3.5Å; Y594-Q598 VanDerWaalsContact CA-OE1 3.3Å; Y594-Q598 HydrophobicContact CD1-CB 3.71Å; Y594-Q598 HydrophobicContact CD1-CG 4.47Å; Y594-Q598 HydrophobicContact CG-CB 4.3Å; Y594-K599 VanDerWaalsContact CB-CG 3.47Å; Y594-K599 HydrophobicContact CG-CG 4.41Å; Y594-K599 WeakPolarHBondContact O-CE 3.49Å; Y594-Q602 PolarHBondContact OH-NE2 3.15Å | ||
| 595 | T | 53.9 | Low | 49.3 | Very low | 79 Ų | 79 | 68.2 Ų | 68.2 | 49% | 0.485 | 40% | 0.395 | S | S | . | . | trans | -47.4 | 149.2 | 158.2 | 52.4 | 0 | 0 | 0 | 0 | 109.3 | G593 L597 Q598 K599 | G593-T595 PolarHBondContact O-N 3.49Å; T595-L597 CarbonylContact O-C 3.55Å; T595-L597 PolarHBondContact O-N 3.08Å; T595-Q598 VanDerWaalsContact N-OE1 3.08Å; T595-Q598 WeakPolarHBondContact O-CA 3.45Å; T595-Q598 PolarHBondContact O-N 2.8Å; T595-Q598 VanDerWaalsContact OG1-CG 3.29Å; T595-Q598 WeakPolarHBondContact OG1-CG 3.02Å; T595-Q598 PolarHBondContact OG1-N 3.38Å; T595-Q598 PolarHBondContact OG1-OE1 3Å; T595-K599 PolarHBondContact O-N 3.07Å | ||
| 596 | D | 58.5 | Low | 51.4 | Low | 54 Ų | 54 | 67 Ų | 67 | 29% | 0.289 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -52.9 | -32.9 | 178.6 | -79.6 | -22.9 | 0 | 0 | 0 | 111.1 | R491 K599 R600 | R491-D596 WeakPolarHBondContact CD-OD2 3.38Å; R491-D596 IonicContact CZ-OD2 2.84Å; R491-D596 IonicContact NH1-OD1 2.72Å; R491-D596 IonicContact NH1-OD2 3.94Å; R491-D596 PolarHBondContact NH1-OD2 3.25Å; R491-D596 VanDerWaalsContact NH1-OD2 3.08Å; D596-K599 PolarHBondContact O-N 2.9Å; D596-R600 WeakPolarHBondContact O-CB 3.37Å; D596-R600 WeakPolarHBondContact O-CG 3.35Å; D596-R600 PolarHBondContact O-N 3.28Å |
| 597 | L | 59.9 | Low | 54 | Low | 105 Ų | 105 | 64.5 Ų | 64.5 | 55% | 0.55 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.6 | -46.9 | 170.1 | -167.6 | 104.5 | 0 | 0 | 0 | 113.2 | T595 K599 R600 L601 | T595-L597 CarbonylContact O-C 3.55Å; T595-L597 PolarHBondContact O-N 3.08Å; L597-K599 PolarHBondContact O-N 2.88Å; L597-R600 PolarHBondContact O-N 3.4Å; L597-L601 HydrophobicContact CD2-CD1 3.69Å; L597-L601 HydrophobicContact CD2-CG 4.43Å; L597-L601 HydrophobicContact CG-CD1 4.11Å; L597-L601 HydrophobicContact CG-CG 4.34Å; L597-L601 WeakPolarHBondContact O-CB 3.27Å; L597-L601 VanDerWaalsContact O-CG 3.23Å; L597-L601 WeakPolarHBondContact O-CG 3.46Å; L597-L601 PolarHBondContact O-N 2.95Å |
| 598 | Q | 62.4 | Low | 56.7 | Low | 82 Ų | 82 | 58.5 Ų | 58.5 | 38% | 0.383 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.2 | -37.5 | 178.1 | -78.7 | 167.2 | -34.3 | 0 | 0 | 112.7 | G593 Y594 T595 R600 L601 Q602 | G593-Q598 PolarHBondContact O-OE1 3.03Å; Y594-Q598 VanDerWaalsContact CA-OE1 3.3Å; Y594-Q598 HydrophobicContact CD1-CB 3.71Å; Y594-Q598 HydrophobicContact CD1-CG 4.47Å; Y594-Q598 HydrophobicContact CG-CB 4.3Å; T595-Q598 VanDerWaalsContact N-OE1 3.08Å; T595-Q598 WeakPolarHBondContact O-CA 3.45Å; T595-Q598 PolarHBondContact O-N 2.8Å; T595-Q598 VanDerWaalsContact OG1-CG 3.29Å; T595-Q598 WeakPolarHBondContact OG1-CG 3.02Å; T595-Q598 PolarHBondContact OG1-N 3.38Å; T595-Q598 PolarHBondContact OG1-OE1 3Å; Q598-R600 VanDerWaalsContact C-N 3.34Å; Q598-L601 PolarHBondContact O-N 3.12Å; Q598-Q602 WeakPolarHBondContact O-CG 3.27Å; Q598-Q602 PolarHBondContact O-N 2.86Å |
| 599 | K | 64 | Low | 59.1 | Low | 64 Ų | 64 | 56.3 Ų | 56.3 | 28% | 0.278 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61 | -46.3 | 173.9 | -63.7 | -177.2 | 179.7 | 177.5 | 0 | 110.6 | Y594 T595 D596 L597 Q602 V603 L604 L609 | Y594-K599 VanDerWaalsContact CB-CG 3.47Å; Y594-K599 HydrophobicContact CG-CG 4.41Å; Y594-K599 WeakPolarHBondContact O-CE 3.49Å; T595-K599 PolarHBondContact O-N 3.07Å; D596-K599 PolarHBondContact O-N 2.9Å; L597-K599 PolarHBondContact O-N 2.88Å; K599-Q602 PolarHBondContact O-N 3.2Å; K599-V603 PolarHBondContact O-N 2.92Å; K599-L604 PolarHBondContact O-N 3.18Å; K599-L609 HydrophobicContact CD-CD1 4.01Å |
| 600 | R | 63.1 | Low | 61.6 | Low | 38 Ų | 38 | 55.7 Ų | 55.7 | 14% | 0.143 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 175.6 | -80.8 | 177.5 | 167.7 | -176.7 | -14.2 | 112.8 | F484 V485 S487 D488 C489 D596 L597 Q598 Q602 V603 | F484-R600 HydrophobicContact CE1-CG 4.3Å; F484-R600 HydrophobicContact CZ-CG 4.3Å; V485-R600 WeakPolarHBondContact CG2-O 3.23Å; S487-R600 PolarHBondContact O-NH1 3.3Å; S487-R600 PolarHBondContact O-NH2 3.03Å; S487-R600 PolarHBondContact OG-NH2 2.7Å; S487-R600 VanDerWaalsContact OG-NH2 3.15Å; D488-R600 PolarHBondContact O-NH2 2.9Å; D488-R600 VanDerWaalsContact O-NH2 3.14Å; C489-R600 PolarHBondContact SG-NH1 3.47Å; C489-R600 PolarHBondContact SG-NH2 3.36Å; D596-R600 WeakPolarHBondContact O-CB 3.37Å; D596-R600 WeakPolarHBondContact O-CG 3.35Å; D596-R600 PolarHBondContact O-N 3.28Å; L597-R600 PolarHBondContact O-N 3.4Å; Q598-R600 VanDerWaalsContact C-N 3.34Å; R600-Q602 VanDerWaalsContact C-N 3.29Å; R600-Q602 PolarHBondContact O-N 2.94Å; R600-V603 VanDerWaalsContact O-CA 3.32Å; R600-V603 WeakPolarHBondContact O-CA 3.29Å; R600-V603 PolarHBondContact O-N 3.29Å |
| 601 | L | 62.1 | Low | 64.1 | Low | 39 Ų | 39 | 50.5 Ų | 50.5 | 20% | 0.204 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.8 | -45.8 | 175.9 | -76.6 | 170.6 | 0 | 0 | 0 | 110 | V485 L597 Q598 V603 H889 | V485-L601 HydrophobicContact CG1-CD2 4Å; L597-L601 HydrophobicContact CD2-CD1 3.69Å; L597-L601 HydrophobicContact CD2-CG 4.43Å; L597-L601 HydrophobicContact CG-CD1 4.11Å; L597-L601 HydrophobicContact CG-CG 4.34Å; L597-L601 WeakPolarHBondContact O-CB 3.27Å; L597-L601 VanDerWaalsContact O-CG 3.23Å; L597-L601 WeakPolarHBondContact O-CG 3.46Å; L597-L601 PolarHBondContact O-N 2.95Å; Q598-L601 PolarHBondContact O-N 3.12Å; L601-V603 PolarHBondContact O-N 3.36Å; L601-H889 PolarHBondContact O-CE1 3.01Å |
| 602 | Q | 65.9 | Low | 66.3 | Low | 40 Ų | 40 | 47.1 Ų | 47.1 | 19% | 0.187 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -2.3 | 175.9 | -66.6 | -169.4 | 13.1 | 0 | 0 | 114.4 | Y594 Q598 K599 R600 L604 N696 | Y594-Q602 PolarHBondContact OH-NE2 3.15Å; Q598-Q602 WeakPolarHBondContact O-CG 3.27Å; Q598-Q602 PolarHBondContact O-N 2.86Å; K599-Q602 PolarHBondContact O-N 3.2Å; R600-Q602 VanDerWaalsContact C-N 3.29Å; R600-Q602 PolarHBondContact O-N 2.94Å; Q602-L604 VanDerWaalsContact C-N 3.31Å; Q602-L604 HydrophobicContact CB-CD1 3.2Å; Q602-L604 HydrophobicContact CG-CD1 4.33Å; Q602-N696 PolarHBondContact OE1-ND2 3.2Å |
| 603 | V | 66.5 | Low | 68.3 | Low | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.03 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 37.6 | -178.8 | -160.9 | 0 | 0 | 0 | 0 | 111.4 | W481 F484 V485 K599 R600 L601 V888 | W481-V603 HydrophobicContact CB-CG1 4.16Å; W481-V603 HydrophobicContact CD2-CG1 3.54Å; W481-V603 HydrophobicContact CE3-CG1 3.02Å; W481-V603 HydrophobicContact CG-CG1 4.04Å; W481-V603 HydrophobicContact CZ3-CG1 3.63Å; F484-V603 HydrophobicContact CD1-CG1 4.3Å; V485-V603 HydrophobicContact CG2-CG2 4.12Å; K599-V603 PolarHBondContact O-N 2.92Å; R600-V603 VanDerWaalsContact O-CA 3.32Å; R600-V603 WeakPolarHBondContact O-CA 3.29Å; R600-V603 PolarHBondContact O-N 3.29Å; L601-V603 PolarHBondContact O-N 3.36Å; V603-V888 HydrophobicContact CG2-CG2 4.28Å |
| 604 | L | 68.7 | Low | 70.4 | Confident | 9 Ų | 9 | 51.1 Ų | 51.1 | 5% | 0.047 | 27% | 0.265 | C | S | . | . | trans | -90.4 | 106.6 | 174.7 | -83.3 | 96.5 | 0 | 0 | 0 | 110.3 | F484 K599 Q602 L609 A693 C697 | F484-L604 WeakPolarHBondContact CZ-O 3.22Å; K599-L604 PolarHBondContact O-N 3.18Å; Q602-L604 VanDerWaalsContact C-N 3.31Å; Q602-L604 HydrophobicContact CB-CD1 3.2Å; Q602-L604 HydrophobicContact CG-CD1 4.33Å; L604-L609 HydrophobicContact CB-CD1 4.04Å; L604-L609 HydrophobicContact CB-CD2 4.38Å; L604-L609 HydrophobicContact CB-CG 3.94Å; L604-L609 HydrophobicContact CD2-CD2 3.33Å; L604-L609 HydrophobicContact CD2-CG 3.69Å; L604-L609 HydrophobicContact CG-CD2 4.45Å; L604-L609 HydrophobicContact CG-CG 4.42Å; L604-A693 HydrophobicContact CD1-CB 4.38Å; L604-A693 HydrophobicContact CD2-CB 3.71Å; L604-A693 HydrophobicContact CG-CB 3.93Å; L604-C697 WeakPolarHBondContact CD2-SG 3.4Å | ||
| 605 | S | 71.8 | Confident | 72.3 | Confident | 21 Ų | 21 | 47.7 Ų | 47.7 | 15% | 0.147 | 25% | 0.252 | C | S | . | . | trans | -65.3 | 149.8 | 167.2 | 70.1 | 0 | 0 | 0 | 0 | 110.1 | E607 L608 L609 | S605-E607 PolarHBondContact O-N 2.89Å; S605-L608 PolarHBondContact O-N 2.85Å; S605-L608 VanDerWaalsContact OG-CB 3.25Å; S605-L608 WeakPolarHBondContact OG-CB 3.27Å; S605-L608 PolarHBondContact OG-N 3.4Å; S605-L608 VanDerWaalsContact OG-N 3.15Å; S605-L609 PolarHBondContact O-N 2.93Å | ||
| 606 | P | 71.9 | Confident | 73.7 | Confident | 101 Ų | 101 | 44.1 Ų | 44.1 | 66% | 0.656 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -60.9 | -32.2 | 177.3 | 24.4 | -33.7 | 0 | 0 | 0 | 112 | A610 | P606-A610 PolarHBondContact O-N 3.06Å |
| 607 | E | 78.6 | Confident | 74.8 | Confident | 81 Ų | 81 | 43.7 Ų | 43.7 | 38% | 0.379 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.1 | -46.5 | 175.6 | -165.5 | 165.7 | -166.9 | 0 | 0 | 110.9 | M446 R449 S605 L609 A610 L611 | M446-E607 HydrophobicContact SD-CB 4.45Å; M446-E607 HydrophobicContact SD-CG 4.25Å; R449-E607 IonicContact CZ-OE1 3.75Å; R449-E607 IonicContact CZ-OE2 3.69Å; R449-E607 IonicContact NH1-OE1 3.82Å; R449-E607 PolarHBondContact NH1-OE1 2.84Å; R449-E607 VanDerWaalsContact NH1-OE1 3.08Å; R449-E607 IonicContact NH1-OE2 2.64Å; R449-E607 IonicContact NH2-OE1 3.03Å; R449-E607 IonicContact NH2-OE2 2.68Å; R449-E607 PolarHBondContact NH2-OE2 3.14Å; S605-E607 PolarHBondContact O-N 2.89Å; E607-L609 PolarHBondContact O-N 3.46Å; E607-A610 PolarHBondContact O-N 3.44Å; E607-L611 WeakPolarHBondContact O-CG 3.35Å; E607-L611 PolarHBondContact O-N 3.03Å; E607-L611 VanDerWaalsContact O-N 3.08Å |
| 608 | L | 81.8 | Confident | 76.1 | Confident | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.5 | -39.7 | 176.4 | -179.5 | 64.5 | 0 | 0 | 0 | 112.5 | W439 F443 S605 L611 C612 A690 A693 | W439-L608 HydrophobicContact CZ2-CD1 4.5Å; F443-L608 HydrophobicContact CD2-CD1 4.11Å; F443-L608 HydrophobicContact CE2-CD1 4.07Å; S605-L608 PolarHBondContact O-N 2.85Å; S605-L608 VanDerWaalsContact OG-CB 3.25Å; S605-L608 WeakPolarHBondContact OG-CB 3.27Å; S605-L608 PolarHBondContact OG-N 3.4Å; S605-L608 VanDerWaalsContact OG-N 3.15Å; L608-L611 PolarHBondContact O-N 3.45Å; L608-C612 PolarHBondContact O-N 2.98Å; L608-C612 PolarHBondContact O-SG 2.9Å; L608-A690 HydrophobicContact CD1-CB 3.95Å; L608-A690 HydrophobicContact CD2-CB 4.47Å; L608-A693 HydrophobicContact CD2-CB 3.79Å; L608-A693 HydrophobicContact CG-CB 4.23Å |
| 609 | L | 80.7 | Confident | 77.1 | Confident | 22 Ų | 22 | 36.1 Ų | 36.1 | 12% | 0.115 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.3 | -48.2 | 174 | -84.3 | 163.9 | 0 | 0 | 0 | 111.5 | K599 L604 S605 E607 L611 C612 E613 | K599-L609 HydrophobicContact CD-CD1 4.01Å; L604-L609 HydrophobicContact CB-CD1 4.04Å; L604-L609 HydrophobicContact CB-CD2 4.38Å; L604-L609 HydrophobicContact CB-CG 3.94Å; L604-L609 HydrophobicContact CD2-CD2 3.33Å; L604-L609 HydrophobicContact CD2-CG 3.69Å; L604-L609 HydrophobicContact CG-CD2 4.45Å; L604-L609 HydrophobicContact CG-CG 4.42Å; S605-L609 PolarHBondContact O-N 2.93Å; E607-L609 PolarHBondContact O-N 3.46Å; L609-L611 VanDerWaalsContact C-N 3.3Å; L609-L611 PolarHBondContact O-N 3.03Å; L609-C612 PolarHBondContact O-N 3.37Å; L609-E613 WeakPolarHBondContact O-CG 3.1Å; L609-E613 PolarHBondContact O-N 2.97Å |
| 610 | A | 81.4 | Confident | 77.8 | Confident | 53 Ų | 53 | 33 Ų | 33 | 44% | 0.438 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.1 | -39.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P606 E607 E613 K614 | P606-A610 PolarHBondContact O-N 3.06Å; E607-A610 PolarHBondContact O-N 3.44Å; A610-E613 PolarHBondContact O-N 3.39Å; A610-K614 WeakPolarHBondContact O-CB 3.5Å; A610-K614 PolarHBondContact O-N 2.96Å |
| 611 | L | 85.7 | Confident | 78.8 | Confident | 18 Ų | 18 | 34.4 Ų | 34.4 | 9% | 0.094 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.7 | -44.7 | 174.4 | -66.1 | 179.5 | 0 | 0 | 0 | 112 | Q442 F443 E607 L608 L609 K614 L615 | Q442-L611 HydrophobicContact CB-CD1 4.37Å; Q442-L611 HydrophobicContact CB-CD2 3.6Å; Q442-L611 HydrophobicContact CG-CD2 4.29Å; F443-L611 HydrophobicContact CB-CD1 4.48Å; E607-L611 WeakPolarHBondContact O-CG 3.35Å; E607-L611 PolarHBondContact O-N 3.03Å; E607-L611 VanDerWaalsContact O-N 3.08Å; L608-L611 PolarHBondContact O-N 3.45Å; L609-L611 VanDerWaalsContact C-N 3.3Å; L609-L611 PolarHBondContact O-N 3.03Å; L611-K614 PolarHBondContact O-N 2.93Å; L611-L615 PolarHBondContact O-N 3.4Å |
| 612 | C | 86.2 | Confident | 79.8 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.1 | -44.7 | 176.3 | -71 | 0 | 0 | 0 | 0 | 111.9 | L608 L609 K614 L615 N616 C697 C698 | L608-C612 PolarHBondContact O-N 2.98Å; L608-C612 PolarHBondContact O-SG 2.9Å; L609-C612 PolarHBondContact O-N 3.37Å; C612-K614 VanDerWaalsContact C-N 3.34Å; C612-K614 PolarHBondContact O-N 3.5Å; C612-L615 PolarHBondContact O-N 3.15Å; C612-N616 VanDerWaalsContact O-CB 3.27Å; C612-N616 WeakPolarHBondContact O-CB 3.23Å; C612-N616 PolarHBondContact O-N 3.25Å; C612-C697 HydrophobicContact CB-CB 3.8Å; C612-C698 PolarHBondContact O-SG 2.93Å |
| 613 | E | 82 | Confident | 80.6 | Confident | 84 Ų | 84 | 32.7 Ų | 32.7 | 39% | 0.393 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.2 | -40.9 | 177.4 | -73.7 | 175.1 | -179.7 | 0 | 0 | 112 | L609 A610 N616 T617 | L609-E613 WeakPolarHBondContact O-CG 3.1Å; L609-E613 PolarHBondContact O-N 2.97Å; A610-E613 PolarHBondContact O-N 3.39Å; E613-N616 PolarHBondContact O-N 3.42Å; E613-T617 WeakPolarHBondContact O-CG2 3.36Å; E613-T617 PolarHBondContact O-N 3.04Å; E613-T617 PolarHBondContact O-OG1 3.1Å |
| 614 | K | 85.7 | Confident | 81.2 | Confident | 98 Ų | 98 | 33.4 Ų | 33.4 | 43% | 0.426 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.9 | -44.7 | 174.4 | -169.6 | -177 | -176.2 | -176.6 | 0 | 111.9 | E438 A610 L611 C612 T617 A618 | E438-K614 WeakPolarHBondContact OE1-CE 3.45Å; E438-K614 IonicContact OE1-NZ 2.63Å; E438-K614 PolarHBondContact OE1-NZ 3.34Å; A610-K614 WeakPolarHBondContact O-CB 3.5Å; A610-K614 PolarHBondContact O-N 2.96Å; L611-K614 PolarHBondContact O-N 2.93Å; C612-K614 VanDerWaalsContact C-N 3.34Å; C612-K614 PolarHBondContact O-N 3.5Å; K614-T617 PolarHBondContact O-OG1 3.23Å; K614-A618 WeakPolarHBondContact O-CB 3.39Å; K614-A618 PolarHBondContact O-N 2.87Å |
| 615 | L | 87.1 | Confident | 81.7 | Confident | 5 Ų | 5 | 36.7 Ų | 36.7 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.2 | -42.9 | 175.7 | -176.8 | 68.4 | 0 | 0 | 0 | 111.3 | S435 F436 W439 L611 C612 T617 A618 I619 L694 I701 | S435-L615 WeakPolarHBondContact O-CD1 3.37Å; F436-L615 HydrophobicContact CD1-CD2 4.46Å; F436-L615 HydrophobicContact CE1-CD2 4.22Å; F436-L615 HydrophobicContact CG-CD1 4.49Å; W439-L615 HydrophobicContact CB-CD1 4.2Å; W439-L615 HydrophobicContact CB-CD2 4.4Å; W439-L615 HydrophobicContact CG-CD2 4.09Å; L611-L615 PolarHBondContact O-N 3.4Å; C612-L615 PolarHBondContact O-N 3.15Å; L615-T617 PolarHBondContact O-N 3.04Å; L615-A618 PolarHBondContact O-N 3.09Å; L615-I619 HydrophobicContact CD1-CD1 3.95Å; L615-I619 HydrophobicContact CD1-CG1 4.26Å; L615-I619 HydrophobicContact CD2-CD1 4.3Å; L615-I619 HydrophobicContact CG-CD1 3.76Å; L615-I619 HydrophobicContact CG-CG1 4.38Å; L615-I619 WeakPolarHBondContact O-CB 3.33Å; L615-I619 WeakPolarHBondContact O-CG1 3.28Å; L615-I619 PolarHBondContact O-N 2.87Å; L615-L694 HydrophobicContact CD2-CD1 3.76Å; L615-L694 HydrophobicContact CD2-CG 4.2Å; L615-I701 HydrophobicContact CD2-CD1 4.44Å |
| 616 | N | 84.6 | Confident | 82.1 | Confident | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.6 | -47.2 | 179.5 | -174.2 | 57.3 | 0 | 0 | 0 | 111.5 | C612 E613 I619 S620 C698 P699 S700 | C612-N616 VanDerWaalsContact O-CB 3.27Å; C612-N616 WeakPolarHBondContact O-CB 3.23Å; C612-N616 PolarHBondContact O-N 3.25Å; E613-N616 PolarHBondContact O-N 3.42Å; N616-I619 PolarHBondContact O-N 3.08Å; N616-S620 WeakPolarHBondContact O-CB 3.29Å; N616-S620 PolarHBondContact O-N 3.43Å; N616-S620 PolarHBondContact O-OG 3.43Å; N616-C698 HydrophobicContact CB-CB 4.17Å; N616-C698 WeakPolarHBondContact OD1-CA 3.35Å; N616-P699 WeakPolarHBondContact OD1-CD 3.33Å; N616-S700 PolarHBondContact O-OG 3.45Å; N616-S700 WeakPolarHBondContact OD1-CB 3.48Å; N616-S700 PolarHBondContact OD1-N 3.29Å; N616-S700 PolarHBondContact OD1-OG 3.45Å |
| 617 | T | 81.4 | Confident | 82.3 | Confident | 46 Ų | 46 | 31.3 Ų | 31.3 | 28% | 0.282 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -66.9 | -37.8 | 177.2 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | E613 K614 L615 S620 N621 | E613-T617 WeakPolarHBondContact O-CG2 3.36Å; E613-T617 PolarHBondContact O-N 3.04Å; E613-T617 PolarHBondContact O-OG1 3.1Å; K614-T617 PolarHBondContact O-OG1 3.23Å; L615-T617 PolarHBondContact O-N 3.04Å; T617-S620 WeakPolarHBondContact CA-OG 3.28Å; T617-S620 PolarHBondContact O-OG 3.33Å; T617-N621 VanDerWaalsContact O-CB 3.24Å; T617-N621 WeakPolarHBondContact O-CB 3.47Å; T617-N621 PolarHBondContact O-N 3.47Å; T617-N621 VanDerWaalsContact O-N 3.1Å; T617-N621 PolarHBondContact O-ND2 2.94Å |
| 618 | A | 85.7 | Confident | 81.9 | Confident | 26 Ų | 26 | 32.2 Ų | 32.2 | 22% | 0.215 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.7 | -53.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | K614 L615 S620 N621 H622 | K614-A618 WeakPolarHBondContact O-CB 3.39Å; K614-A618 PolarHBondContact O-N 2.87Å; L615-A618 PolarHBondContact O-N 3.09Å; A618-S620 PolarHBondContact O-N 2.95Å; A618-N621 PolarHBondContact O-N 3.16Å; A618-H622 PolarHBondContact O-N 2.89Å; A618-H622 VanDerWaalsContact O-N 3.11Å; A618-H622 PolarHBondContact O-ND1 2.86Å |
| 619 | I | 83.9 | Confident | 81.3 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.1 | -47.7 | -177.7 | -69 | 173.5 | 0 | 0 | 0 | 111.2 | F432 F436 L615 N616 N621 H622 I623 I701 | F432-I619 HydrophobicContact CE1-CG1 4.48Å; F432-I619 HydrophobicContact CE1-CG2 4.08Å; F432-I619 HydrophobicContact CZ-CG2 4.06Å; F436-I619 HydrophobicContact CE2-CD1 3.63Å; F436-I619 HydrophobicContact CE2-CG1 4.33Å; F436-I619 HydrophobicContact CZ-CD1 3.71Å; L615-I619 HydrophobicContact CD1-CD1 3.95Å; L615-I619 HydrophobicContact CD1-CG1 4.26Å; L615-I619 HydrophobicContact CD2-CD1 4.3Å; L615-I619 HydrophobicContact CG-CD1 3.76Å; L615-I619 HydrophobicContact CG-CG1 4.38Å; L615-I619 WeakPolarHBondContact O-CB 3.33Å; L615-I619 WeakPolarHBondContact O-CG1 3.28Å; L615-I619 PolarHBondContact O-N 2.87Å; N616-I619 PolarHBondContact O-N 3.08Å; I619-N621 PolarHBondContact O-N 3.02Å; I619-H622 PolarHBondContact O-N 3.35Å; I619-I623 HydrophobicContact CG2-CD1 3.61Å; I619-I623 HydrophobicContact CG2-CG1 4.43Å; I619-I623 VanDerWaalsContact O-CG1 3.28Å; I619-I623 WeakPolarHBondContact O-CG1 3.08Å; I619-I623 PolarHBondContact O-N 3.46Å; I619-I701 HydrophobicContact CD1-CD1 3.93Å; I619-I701 HydrophobicContact CD1-CG1 3.59Å |
| 620 | S | 79.9 | Confident | 80.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.4 | -45.2 | 179.6 | 60.2 | 0 | 0 | 0 | 0 | 111.9 | V579 N616 T617 A618 H622 I623 I624 | V579-S620 VanDerWaalsContact CG2-CB 3.46Å; V579-S620 WeakPolarHBondContact CG2-OG 3.31Å; N616-S620 WeakPolarHBondContact O-CB 3.29Å; N616-S620 PolarHBondContact O-N 3.43Å; N616-S620 PolarHBondContact O-OG 3.43Å; T617-S620 WeakPolarHBondContact CA-OG 3.28Å; T617-S620 PolarHBondContact O-OG 3.33Å; A618-S620 PolarHBondContact O-N 2.95Å; S620-H622 PolarHBondContact O-N 3.19Å; S620-I623 PolarHBondContact O-N 3.09Å; S620-I624 WeakPolarHBondContact O-CB 3.27Å; S620-I624 WeakPolarHBondContact O-CD1 3.42Å; S620-I624 WeakPolarHBondContact O-CG1 3.49Å; S620-I624 PolarHBondContact O-N 3.4Å |
| 621 | N | 82.5 | Confident | 80.2 | Confident | 67 Ų | 67 | 35.6 Ų | 35.6 | 36% | 0.358 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.1 | -42.2 | 179.2 | -77.2 | -26.8 | 0 | 0 | 0 | 112.3 | T617 A618 I619 K625 | T617-N621 VanDerWaalsContact O-CB 3.24Å; T617-N621 WeakPolarHBondContact O-CB 3.47Å; T617-N621 PolarHBondContact O-N 3.47Å; T617-N621 VanDerWaalsContact O-N 3.1Å; T617-N621 PolarHBondContact O-ND2 2.94Å; A618-N621 PolarHBondContact O-N 3.16Å; I619-N621 PolarHBondContact O-N 3.02Å; N621-K625 WeakPolarHBondContact O-CB 3.23Å; N621-K625 VanDerWaalsContact O-CG 3.26Å; N621-K625 WeakPolarHBondContact O-CG 3.47Å; N621-K625 PolarHBondContact O-N 3.5Å; N621-K625 VanDerWaalsContact O-N 3.09Å |
| 622 | H | 83.7 | Confident | 79.4 | Confident | 43 Ų | 43 | 41.3 Ų | 41.3 | 20% | 0.199 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.6 | -43 | 176.8 | -71.6 | 93 | 0 | 0 | 0 | 111.6 | F373 F428 S431 F432 A618 I619 S620 L626 | F373-H622 AromaticContact CD1-CD2 3.83Å; F373-H622 HydrophobicContact CE1-CB 4.49Å; F373-H622 AromaticContact CE1-CD2 3.99Å; F428-H622 HydrophobicContact CE2-CB 4.19Å; S431-H622 PolarHBondContact OG-CD2 3.38Å; F432-H622 HydrophobicContact CD2-CB 4.43Å; F432-H622 HydrophobicContact CE2-CB 3.74Å; A618-H622 PolarHBondContact O-N 2.89Å; A618-H622 VanDerWaalsContact O-N 3.11Å; A618-H622 PolarHBondContact O-ND1 2.86Å; I619-H622 PolarHBondContact O-N 3.35Å; S620-H622 PolarHBondContact O-N 3.19Å; H622-L626 WeakPolarHBondContact O-CB 3.33Å; H622-L626 PolarHBondContact O-N 3.18Å |
| 623 | I | 82.4 | Confident | 78.9 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.6 | -47.2 | -179.2 | -65 | 170.3 | 0 | 0 | 0 | 111.2 | F428 F432 L575 I619 S620 K625 L626 T627 W638 V641 A704 | F428-I623 HydrophobicContact CZ-CG1 4.46Å; F432-I623 HydrophobicContact CE2-CG1 4.33Å; F432-I623 HydrophobicContact CZ-CD1 4Å; F432-I623 HydrophobicContact CZ-CG1 3.71Å; L575-I623 HydrophobicContact CD1-CG2 3.84Å; I619-I623 HydrophobicContact CG2-CD1 3.61Å; I619-I623 HydrophobicContact CG2-CG1 4.43Å; I619-I623 VanDerWaalsContact O-CG1 3.28Å; I619-I623 WeakPolarHBondContact O-CG1 3.08Å; I619-I623 PolarHBondContact O-N 3.46Å; S620-I623 PolarHBondContact O-N 3.09Å; I623-K625 VanDerWaalsContact C-N 3.33Å; I623-K625 PolarHBondContact O-N 2.76Å; I623-L626 PolarHBondContact O-N 3.49Å; I623-T627 HydrophobicContact CG2-CG2 4.09Å; I623-T627 WeakPolarHBondContact O-CB 3.2Å; I623-T627 VanDerWaalsContact O-CG2 3.28Å; I623-T627 WeakPolarHBondContact O-CG2 3.44Å; I623-T627 PolarHBondContact O-N 3.47Å; I623-T627 PolarHBondContact O-OG1 2.82Å; I623-W638 HydrophobicContact CG2-CZ3 4.49Å; I623-V641 HydrophobicContact CD1-CG1 4.42Å; I623-V641 HydrophobicContact CG1-CG1 4.46Å; I623-A704 HydrophobicContact CD1-CB 3.28Å |
| 624 | I | 79.3 | Confident | 78.7 | Confident | 19 Ų | 19 | 38.7 Ų | 38.7 | 10% | 0.097 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.3 | -49.6 | 179.1 | -67.6 | 164.3 | 0 | 0 | 0 | 109.1 | L572 L575 Q576 V579 S620 L626 T627 L628 | L572-I624 HydrophobicContact CD2-CB 4.29Å; L572-I624 HydrophobicContact CD2-CG1 4.21Å; L572-I624 HydrophobicContact CD2-CG2 4.02Å; L575-I624 HydrophobicContact CB-CD1 4.19Å; L575-I624 HydrophobicContact CB-CG1 4.06Å; Q576-I624 HydrophobicContact CB-CD1 4.31Å; V579-I624 HydrophobicContact CG2-CD1 3.87Å; S620-I624 WeakPolarHBondContact O-CB 3.27Å; S620-I624 WeakPolarHBondContact O-CD1 3.42Å; S620-I624 WeakPolarHBondContact O-CG1 3.49Å; S620-I624 PolarHBondContact O-N 3.4Å; I624-L626 VanDerWaalsContact C-N 3.34Å; I624-L626 PolarHBondContact O-N 3.21Å; I624-T627 PolarHBondContact O-N 2.86Å; I624-T627 PolarHBondContact O-OG1 3.46Å; I624-L628 HydrophobicContact CG2-CD1 4.25Å; I624-L628 HydrophobicContact CG2-CG 4.21Å; I624-L628 VanDerWaalsContact O-CG 3.29Å; I624-L628 WeakPolarHBondContact O-CG 3.47Å; I624-L628 PolarHBondContact O-N 3.27Å |
| 625 | K | 79.4 | Confident | 78.5 | Confident | 79 Ų | 79 | 37 Ų | 37 | 34% | 0.343 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -57.5 | -45 | 178.1 | -75.7 | 175.3 | 179 | 171.3 | 0 | 112.6 | F373 E374 V377 N621 I623 T627 | F373-K625 HydrophobicContact CE1-CB 4.23Å; E374-K625 IonicContact OE1-NZ 3.58Å; E374-K625 PolarHBondContact OE1-NZ 2.81Å; V377-K625 WeakPolarHBondContact CG1-O 3.25Å; N621-K625 WeakPolarHBondContact O-CB 3.23Å; N621-K625 VanDerWaalsContact O-CG 3.26Å; N621-K625 WeakPolarHBondContact O-CG 3.47Å; N621-K625 PolarHBondContact O-N 3.5Å; N621-K625 VanDerWaalsContact O-N 3.09Å; I623-K625 VanDerWaalsContact C-N 3.33Å; I623-K625 PolarHBondContact O-N 2.76Å; K625-T627 VanDerWaalsContact C-N 3.29Å; K625-T627 PolarHBondContact O-N 2.82Å |
| 626 | L | 80.7 | Confident | 78.3 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.7 | -38.8 | 176.5 | -167.5 | 88.4 | 0 | 0 | 0 | 112 | F373 L424 F428 H622 I623 I624 I637 V641 | F373-L626 HydrophobicContact CE2-CD1 3.67Å; F373-L626 HydrophobicContact CZ-CB 4.07Å; F373-L626 HydrophobicContact CZ-CD1 3.84Å; L424-L626 HydrophobicContact CD2-CD1 4.11Å; F428-L626 HydrophobicContact CD2-CD1 3.75Å; F428-L626 HydrophobicContact CD2-CD2 4.25Å; F428-L626 HydrophobicContact CD2-CG 4.41Å; F428-L626 HydrophobicContact CE1-CD2 4.34Å; F428-L626 HydrophobicContact CE2-CB 4.08Å; F428-L626 HydrophobicContact CE2-CD1 4.05Å; F428-L626 HydrophobicContact CE2-CD2 3.81Å; F428-L626 HydrophobicContact CE2-CG 4.22Å; F428-L626 HydrophobicContact CG-CD1 4.18Å; F428-L626 HydrophobicContact CZ-CD2 3.85Å; H622-L626 WeakPolarHBondContact O-CB 3.33Å; H622-L626 PolarHBondContact O-N 3.18Å; I623-L626 PolarHBondContact O-N 3.49Å; I624-L626 VanDerWaalsContact C-N 3.34Å; I624-L626 PolarHBondContact O-N 3.21Å; L626-I637 HydrophobicContact CD2-CG2 3.37Å; L626-I637 HydrophobicContact CG-CG2 3.68Å; L626-V641 HydrophobicContact CD2-CG2 3.36Å |
| 627 | T | 75.3 | Confident | 78.3 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -92.4 | -14.7 | -166.3 | 54.9 | 0 | 0 | 0 | 0 | 115.1 | L572 I623 I624 K625 N629 V630 I637 W638 | L572-T627 VanDerWaalsContact CD2-OG1 3.3Å; L572-T627 WeakPolarHBondContact CD2-OG1 3.31Å; I623-T627 HydrophobicContact CG2-CG2 4.09Å; I623-T627 WeakPolarHBondContact O-CB 3.2Å; I623-T627 VanDerWaalsContact O-CG2 3.28Å; I623-T627 WeakPolarHBondContact O-CG2 3.44Å; I623-T627 PolarHBondContact O-N 3.47Å; I623-T627 PolarHBondContact O-OG1 2.82Å; I624-T627 PolarHBondContact O-N 2.86Å; I624-T627 PolarHBondContact O-OG1 3.46Å; K625-T627 VanDerWaalsContact C-N 3.29Å; K625-T627 PolarHBondContact O-N 2.82Å; T627-N629 PolarHBondContact O-N 3.15Å; T627-V630 VanDerWaalsContact CA-CG2 3.44Å; T627-V630 HydrophobicContact CG2-CG2 4.24Å; T627-V630 WeakPolarHBondContact O-CG2 3.31Å; T627-V630 PolarHBondContact O-N 2.63Å; T627-I637 HydrophobicContact CG2-CG2 4.37Å; T627-W638 HydrophobicContact CG2-CH2 3.8Å; T627-W638 HydrophobicContact CG2-CZ2 3.72Å; T627-W638 HydrophobicContact CG2-CZ3 4.26Å |
| 628 | L | 71.5 | Confident | 78.4 | Confident | 101 Ų | 101 | 36.4 Ų | 36.4 | 53% | 0.529 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -25.1 | -178.4 | -83.1 | 167.3 | 0 | 0 | 0 | 115 | I624 | I624-L628 HydrophobicContact CG2-CD1 4.25Å; I624-L628 HydrophobicContact CG2-CG 4.21Å; I624-L628 VanDerWaalsContact O-CG 3.29Å; I624-L628 WeakPolarHBondContact O-CG 3.47Å; I624-L628 PolarHBondContact O-N 3.27Å |
| 629 | N | 68 | Low | 78.5 | Confident | 74 Ų | 74 | 36.9 Ų | 36.9 | 40% | 0.396 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -134.2 | 45.3 | -176.7 | -73.9 | -58.1 | 0 | 0 | 0 | 112.3 | R380 T381 L384 T627 | R380-N629 VanDerWaalsContact CZ-O 3.32Å; R380-N629 PolarHBondContact NH1-O 3.5Å; R380-N629 PolarHBondContact NH2-O 2.78Å; T381-N629 HydrophobicContact CG2-CB 4.07Å; T381-N629 WeakPolarHBondContact CG2-ND2 3.44Å; L384-N629 HydrophobicContact CD1-CB 4.28Å; T627-N629 PolarHBondContact O-N 3.15Å |
| 630 | V | 69.2 | Low | 78.6 | Confident | 10 Ų | 10 | 37.3 Ų | 37.3 | 6% | 0.061 | 21% | 0.207 | C | C | . | . | trans | -65 | -45.8 | -174.5 | 165 | 0 | 0 | 0 | 0 | 112.5 | R380 T627 Q632 D633 I637 | R380-V630 PolarHBondContact NH2-O 3.15Å; T627-V630 VanDerWaalsContact CA-CG2 3.44Å; T627-V630 HydrophobicContact CG2-CG2 4.24Å; T627-V630 WeakPolarHBondContact O-CG2 3.31Å; T627-V630 PolarHBondContact O-N 2.63Å; V630-Q632 PolarHBondContact O-N 3.2Å; V630-D633 WeakPolarHBondContact O-CB 3Å; V630-D633 PolarHBondContact O-N 3.36Å; V630-I637 HydrophobicContact CB-CD1 4.29Å; V630-I637 HydrophobicContact CG1-CD1 4.36Å; V630-I637 HydrophobicContact CG2-CB 4.29Å; V630-I637 HydrophobicContact CG2-CD1 3.88Å; V630-I637 HydrophobicContact CG2-CG2 3.91Å | ||
| 631 | G | 69.2 | Low | 79 | Confident | 65 Ų | 65 | 37.3 Ų | 37.3 | 67% | 0.67 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | 49.8 | -128.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | D633 | G631-D633 VanDerWaalsContact C-N 3.26Å; G631-D633 PolarHBondContact O-N 2.98Å |
| 632 | Q | 70 | Confident | 79.2 | Confident | 138 Ų | 138 | 35 Ų | 35 | 65% | 0.645 | 19% | 0.194 | S | C | * | . | G | 310 helix | trans | -73 | -12.3 | 178.5 | -64.6 | 176.9 | -5.5 | 0 | 0 | 114.1 | V630 S634 | V630-Q632 PolarHBondContact O-N 3.2Å; Q632-S634 VanDerWaalsContact C-N 3.27Å; Q632-S634 PolarHBondContact O-N 3.03Å |
| 633 | D | 75.4 | Confident | 79.5 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.011 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -90.2 | 15.9 | -179.5 | -60 | -40.2 | 0 | 0 | 0 | 112.9 | R380 W412 R417 V630 G631 F635 N636 I637 | R380-D633 IonicContact CZ-OD2 3.23Å; R380-D633 IonicContact NE-OD2 2.86Å; R380-D633 IonicContact NH2-OD2 3.94Å; R380-D633 PolarHBondContact NH2-OD2 3.1Å; W412-D633 WeakPolarHBondContact CZ2-OD2 3.3Å; W412-D633 PolarHBondContact NE1-OD2 3.48Å; R417-D633 VanDerWaalsContact CD-OD1 3.23Å; R417-D633 WeakPolarHBondContact CD-OD1 3.15Å; R417-D633 WeakPolarHBondContact CG-OD1 3.37Å; R417-D633 IonicContact CZ-OD1 2.63Å; R417-D633 IonicContact NE-OD1 3.08Å; R417-D633 PolarHBondContact NE-OD1 2.62Å; V630-D633 WeakPolarHBondContact O-CB 3Å; V630-D633 PolarHBondContact O-N 3.36Å; G631-D633 VanDerWaalsContact C-N 3.26Å; G631-D633 PolarHBondContact O-N 2.98Å; D633-F635 PolarHBondContact O-N 3.2Å; D633-N636 PolarHBondContact O-N 3.3Å; D633-N636 VanDerWaalsContact O-N 3.17Å; D633-I637 HydrophobicContact CB-CD1 3.75Å; D633-I637 HydrophobicContact CB-CG1 4.1Å; D633-I637 WeakPolarHBondContact O-CB 3.46Å; D633-I637 WeakPolarHBondContact O-CG1 3.4Å; D633-I637 PolarHBondContact O-N 2.81Å |
| 634 | S | 77.4 | Confident | 79.8 | Confident | 27 Ų | 27 | 36.2 Ų | 36.2 | 19% | 0.189 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -50.6 | -51.9 | -177 | 60.8 | 0 | 0 | 0 | 0 | 114.1 | Q632 N636 I637 W638 | Q632-S634 VanDerWaalsContact C-N 3.27Å; Q632-S634 PolarHBondContact O-N 3.03Å; S634-N636 PolarHBondContact O-N 3.36Å; S634-I637 PolarHBondContact O-N 3.21Å; S634-W638 WeakPolarHBondContact O-CB 3.25Å; S634-W638 PolarHBondContact O-N 2.72Å |
| 635 | F | 81 | Confident | 80.2 | Confident | 61 Ų | 61 | 35.4 Ų | 35.4 | 27% | 0.268 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -56.7 | -49.9 | 179.3 | -175.2 | -101.1 | 0 | 0 | 0 | 112.3 | D633 S639 I712 I715 H716 | D633-F635 PolarHBondContact O-N 3.2Å; F635-S639 VanDerWaalsContact O-CB 3.23Å; F635-S639 WeakPolarHBondContact O-CB 3.44Å; F635-S639 PolarHBondContact O-N 3.5Å; F635-S639 PolarHBondContact O-OG 2.91Å; F635-S639 VanDerWaalsContact O-OG 3.12Å; F635-I712 HydrophobicContact CE2-CB 4.33Å; F635-I712 HydrophobicContact CE2-CG1 4.48Å; F635-I712 HydrophobicContact CE2-CG2 3.8Å; F635-I712 HydrophobicContact CZ-CG2 4.49Å; F635-I715 HydrophobicContact CB-CD1 3.72Å; F635-I715 HydrophobicContact CD2-CB 4.32Å; F635-I715 HydrophobicContact CD2-CD1 4.14Å; F635-I715 HydrophobicContact CD2-CG2 4.4Å; F635-I715 HydrophobicContact CG-CD1 4.42Å; F635-H716 AromaticContact CE2-CD2 3.61Å; F635-H716 AromaticContact CZ-CD2 3.93Å |
| 636 | N | 82.9 | Confident | 80.7 | Confident | 40 Ų | 40 | 34.7 Ų | 34.7 | 21% | 0.214 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.4 | -35.7 | -174.8 | -68.7 | -12.1 | 0 | 0 | 0 | 112.7 | R417 L421 D633 S634 S639 L640 | R417-N636 VanDerWaalsContact CZ-ND2 3.27Å; R417-N636 PolarHBondContact NH2-ND2 3.08Å; L421-N636 HydrophobicContact CD1-CB 3.83Å; L421-N636 WeakPolarHBondContact CD1-ND2 3.34Å; L421-N636 HydrophobicContact CD2-CB 3.87Å; D633-N636 PolarHBondContact O-N 3.3Å; D633-N636 VanDerWaalsContact O-N 3.17Å; S634-N636 PolarHBondContact O-N 3.36Å; N636-S639 WeakPolarHBondContact CA-OG 3.29Å; N636-S639 PolarHBondContact O-OG 2.94Å; N636-L640 VanDerWaalsContact O-CB 3.31Å; N636-L640 WeakPolarHBondContact O-CB 3.27Å; N636-L640 PolarHBondContact O-N 2.81Å |
| 637 | I | 85.3 | Confident | 81.2 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -72.8 | -44.7 | 179.3 | -69.4 | 172.5 | 0 | 0 | 0 | 110 | L421 L626 T627 V630 D633 S634 L640 V641 | L421-I637 HydrophobicContact CD2-CG1 4.37Å; L626-I637 HydrophobicContact CD2-CG2 3.37Å; L626-I637 HydrophobicContact CG-CG2 3.68Å; T627-I637 HydrophobicContact CG2-CG2 4.37Å; V630-I637 HydrophobicContact CB-CD1 4.29Å; V630-I637 HydrophobicContact CG1-CD1 4.36Å; V630-I637 HydrophobicContact CG2-CB 4.29Å; V630-I637 HydrophobicContact CG2-CD1 3.88Å; V630-I637 HydrophobicContact CG2-CG2 3.91Å; D633-I637 HydrophobicContact CB-CD1 3.75Å; D633-I637 HydrophobicContact CB-CG1 4.1Å; D633-I637 WeakPolarHBondContact O-CB 3.46Å; D633-I637 WeakPolarHBondContact O-CG1 3.4Å; D633-I637 PolarHBondContact O-N 2.81Å; S634-I637 PolarHBondContact O-N 3.21Å; I637-L640 WeakPolarHBondContact O-CB 3.43Å; I637-L640 PolarHBondContact O-N 3.44Å; I637-V641 WeakPolarHBondContact O-CG2 3.32Å; I637-V641 PolarHBondContact O-N 3.42Å |
| 638 | W | 84.7 | Confident | 81.9 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.2 | -34.4 | 177.7 | -74.9 | 113.9 | 0 | 0 | 0 | 112.4 | I623 T627 S634 L640 V641 F642 A707 A708 Q711 I712 | I623-W638 HydrophobicContact CG2-CZ3 4.49Å; T627-W638 HydrophobicContact CG2-CH2 3.8Å; T627-W638 HydrophobicContact CG2-CZ2 3.72Å; T627-W638 HydrophobicContact CG2-CZ3 4.26Å; S634-W638 WeakPolarHBondContact O-CB 3.25Å; S634-W638 PolarHBondContact O-N 2.72Å; W638-L640 VanDerWaalsContact C-N 3.33Å; W638-V641 HydrophobicContact CE3-CB 4.29Å; W638-V641 HydrophobicContact CE3-CG1 4.41Å; W638-V641 HydrophobicContact CE3-CG2 4.39Å; W638-V641 HydrophobicContact CZ3-CG1 4.48Å; W638-V641 PolarHBondContact O-N 3.45Å; W638-F642 WeakPolarHBondContact O-CB 3.42Å; W638-F642 PolarHBondContact O-N 2.89Å; W638-A707 HydrophobicContact CE3-CB 4.22Å; W638-A707 HydrophobicContact CH2-CB 3.59Å; W638-A707 HydrophobicContact CZ2-CB 4.44Å; W638-A707 HydrophobicContact CZ3-CB 3.46Å; W638-A707 VanDerWaalsContact CZ3-CB 3.46Å; W638-A708 HydrophobicContact CB-CB 4.42Å; W638-A708 HydrophobicContact CE3-CB 3.84Å; W638-A708 WeakPolarHBondContact O-CB 3.28Å; W638-Q711 HydrophobicContact CB-CB 4.06Å; W638-Q711 HydrophobicContact CD2-CB 4.3Å; W638-Q711 HydrophobicContact CD2-CG 4.17Å; W638-Q711 HydrophobicContact CG-CB 3.71Å; W638-Q711 HydrophobicContact CG-CG 4.01Å; W638-I712 HydrophobicContact CB-CG1 4.37Å |
| 639 | S | 86.2 | Confident | 82.7 | Confident | 35 Ų | 35 | 35 Ų | 35 | 25% | 0.245 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.5 | -40.3 | 171.3 | 70.3 | 0 | 0 | 0 | 0 | 111.5 | F635 N636 F642 T643 | F635-S639 VanDerWaalsContact O-CB 3.23Å; F635-S639 WeakPolarHBondContact O-CB 3.44Å; F635-S639 PolarHBondContact O-N 3.5Å; F635-S639 PolarHBondContact O-OG 2.91Å; F635-S639 VanDerWaalsContact O-OG 3.12Å; N636-S639 WeakPolarHBondContact CA-OG 3.29Å; N636-S639 PolarHBondContact O-OG 2.94Å; S639-F642 PolarHBondContact O-N 2.91Å; S639-T643 WeakPolarHBondContact O-CG2 3.34Å; S639-T643 PolarHBondContact O-N 2.75Å; S639-T643 PolarHBondContact O-OG1 3.31Å; S639-T643 VanDerWaalsContact O-OG1 3.12Å |
| 640 | L | 87.6 | Confident | 83.7 | Confident | 10 Ų | 10 | 36.7 Ų | 36.7 | 5% | 0.052 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.1 | -43.2 | 172.6 | 175.9 | 62.6 | 0 | 0 | 0 | 112.6 | L424 E425 F428 T429 N636 I637 W638 F642 T643 A644 | L424-L640 HydrophobicContact CB-CD2 4.27Å; E425-L640 HydrophobicContact CB-CD1 3.85Å; E425-L640 HydrophobicContact CG-CD1 3.75Å; F428-L640 HydrophobicContact CB-CD2 4.14Å; F428-L640 HydrophobicContact CD1-CD1 4.39Å; F428-L640 HydrophobicContact CD1-CD2 4.14Å; F428-L640 HydrophobicContact CD1-CG 3.89Å; F428-L640 HydrophobicContact CE1-CG 4.49Å; F428-L640 HydrophobicContact CG-CD2 4.33Å; T429-L640 HydrophobicContact CG2-CD1 4.22Å; N636-L640 VanDerWaalsContact O-CB 3.31Å; N636-L640 WeakPolarHBondContact O-CB 3.27Å; N636-L640 PolarHBondContact O-N 2.81Å; I637-L640 WeakPolarHBondContact O-CB 3.43Å; I637-L640 PolarHBondContact O-N 3.44Å; W638-L640 VanDerWaalsContact C-N 3.33Å; L640-F642 VanDerWaalsContact C-N 3.34Å; L640-F642 PolarHBondContact O-N 2.89Å; L640-T643 WeakPolarHBondContact CA-OG1 3.35Å; L640-T643 PolarHBondContact O-N 3.36Å; L640-T643 PolarHBondContact O-OG1 2.93Å; L640-T643 VanDerWaalsContact O-OG1 3.05Å; L640-A644 VanDerWaalsContact O-CB 3.27Å; L640-A644 WeakPolarHBondContact O-CB 3.23Å; L640-A644 PolarHBondContact O-N 3.36Å |
| 641 | V | 87.2 | Confident | 84.7 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.3 | -46.3 | 175.4 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | F428 I623 L626 I637 W638 L645 A704 | F428-V641 HydrophobicContact CE1-CG2 4.1Å; F428-V641 HydrophobicContact CZ-CG2 3.89Å; I623-V641 HydrophobicContact CD1-CG1 4.42Å; I623-V641 HydrophobicContact CG1-CG1 4.46Å; L626-V641 HydrophobicContact CD2-CG2 3.36Å; I637-V641 WeakPolarHBondContact O-CG2 3.32Å; I637-V641 PolarHBondContact O-N 3.42Å; W638-V641 HydrophobicContact CE3-CB 4.29Å; W638-V641 HydrophobicContact CE3-CG1 4.41Å; W638-V641 HydrophobicContact CE3-CG2 4.39Å; W638-V641 HydrophobicContact CZ3-CG1 4.48Å; W638-V641 PolarHBondContact O-N 3.45Å; V641-L645 HydrophobicContact CG1-CD1 3.87Å; V641-L645 WeakPolarHBondContact O-CB 3.37Å; V641-L645 WeakPolarHBondContact O-CG 3.18Å; V641-L645 PolarHBondContact O-N 3.12Å; V641-A704 HydrophobicContact CG1-CB 4.32Å |
| 642 | F | 87.5 | Confident | 85.6 | Confident | 19 Ų | 19 | 36 Ų | 36 | 8% | 0.083 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.4 | -46.5 | 179.6 | -170.5 | -95.2 | 0 | 0 | 0 | 112.3 | W638 S639 L640 L645 Q646 A708 T709 I712 K752 L756 | W638-F642 WeakPolarHBondContact O-CB 3.42Å; W638-F642 PolarHBondContact O-N 2.89Å; S639-F642 PolarHBondContact O-N 2.91Å; L640-F642 VanDerWaalsContact C-N 3.34Å; L640-F642 PolarHBondContact O-N 2.89Å; F642-L645 PolarHBondContact O-N 3.48Å; F642-Q646 WeakPolarHBondContact O-CB 3.39Å; F642-Q646 PolarHBondContact O-N 3.46Å; F642-A708 HydrophobicContact CB-CB 3.86Å; F642-A708 HydrophobicContact CD2-CB 4.17Å; F642-T709 HydrophobicContact CD2-CG2 3.78Å; F642-T709 HydrophobicContact CE2-CG2 3.4Å; F642-T709 HydrophobicContact CZ-CG2 4.35Å; F642-I712 HydrophobicContact CB-CD1 4.02Å; F642-I712 HydrophobicContact CG-CD1 4.37Å; F642-K752 HydrophobicContact CE2-CG 4.26Å; F642-K752 HydrophobicContact CZ-CD 4.37Å; F642-K752 HydrophobicContact CZ-CG 4.24Å; F642-L756 HydrophobicContact CD2-CD1 4.42Å; F642-L756 HydrophobicContact CE1-CD2 4.38Å; F642-L756 HydrophobicContact CE2-CD1 3.47Å; F642-L756 VanDerWaalsContact CE2-CD1 3.47Å; F642-L756 HydrophobicContact CE2-CG 4.31Å; F642-L756 HydrophobicContact CZ-CD1 3.61Å; F642-L756 HydrophobicContact CZ-CD2 3.87Å; F642-L756 HydrophobicContact CZ-CG 3.96Å |
| 643 | T | 88.6 | Confident | 86.5 | Confident | 66 Ų | 66 | 30.8 Ų | 30.8 | 41% | 0.405 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -67.6 | -39.8 | -179.5 | 55.1 | 0 | 0 | 0 | 0 | 111.9 | S639 L640 Q646 K647 | S639-T643 WeakPolarHBondContact O-CG2 3.34Å; S639-T643 PolarHBondContact O-N 2.75Å; S639-T643 PolarHBondContact O-OG1 3.31Å; S639-T643 VanDerWaalsContact O-OG1 3.12Å; L640-T643 WeakPolarHBondContact CA-OG1 3.35Å; L640-T643 PolarHBondContact O-N 3.36Å; L640-T643 PolarHBondContact O-OG1 2.93Å; L640-T643 VanDerWaalsContact O-OG1 3.05Å; T643-Q646 PolarHBondContact O-N 3.1Å; T643-K647 WeakPolarHBondContact O-CB 3.19Å; T643-K647 PolarHBondContact O-N 3.41Å |
| 644 | A | 89.5 | Confident | 87.2 | Confident | 3 Ų | 3 | 34.6 Ų | 34.6 | 3% | 0.025 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.3 | -42.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F428 T429 F432 L640 K647 S648 | F428-A644 HydrophobicContact CD1-CB 3.9Å; F428-A644 HydrophobicContact CE1-CB 3.77Å; T429-A644 HydrophobicContact CG2-CB 4Å; F432-A644 HydrophobicContact CD1-CB 4.49Å; F432-A644 HydrophobicContact CG-CB 4.37Å; L640-A644 VanDerWaalsContact O-CB 3.27Å; L640-A644 WeakPolarHBondContact O-CB 3.23Å; L640-A644 PolarHBondContact O-N 3.36Å; A644-K647 PolarHBondContact O-N 3.26Å; A644-S648 WeakPolarHBondContact O-CB 3.46Å; A644-S648 PolarHBondContact O-N 3.03Å; A644-S648 PolarHBondContact O-OG 3.46Å |
| 645 | L | 88.1 | Confident | 87.8 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.9 | -47.2 | 173.5 | -77.3 | 167.6 | 0 | 0 | 0 | 111.6 | F432 V641 F642 K647 S648 I649 A704 | F432-L645 HydrophobicContact CD1-CD2 4.36Å; F432-L645 HydrophobicContact CE1-CD2 3.75Å; F432-L645 HydrophobicContact CE1-CG 4.11Å; V641-L645 HydrophobicContact CG1-CD1 3.87Å; V641-L645 WeakPolarHBondContact O-CB 3.37Å; V641-L645 WeakPolarHBondContact O-CG 3.18Å; V641-L645 PolarHBondContact O-N 3.12Å; F642-L645 PolarHBondContact O-N 3.48Å; L645-K647 VanDerWaalsContact C-N 3.3Å; L645-K647 PolarHBondContact O-N 2.97Å; L645-S648 WeakPolarHBondContact CA-OG 3.39Å; L645-S648 PolarHBondContact O-N 2.93Å; L645-S648 PolarHBondContact O-OG 3.42Å; L645-I649 VanDerWaalsContact O-CB 3.32Å; L645-I649 WeakPolarHBondContact O-CB 3.36Å; L645-I649 WeakPolarHBondContact O-CG1 3.45Å; L645-I649 PolarHBondContact O-N 3.42Å; L645-A704 HydrophobicContact CD1-CB 3.54Å |
| 646 | Q | 90.4 | Very high | 88.2 | Confident | 64 Ų | 64 | 33 Ų | 33 | 30% | 0.299 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60.7 | -40.9 | 178.7 | -174.9 | 176.7 | 12.5 | 0 | 0 | 111.8 | F642 T643 K650 L756 | F642-Q646 WeakPolarHBondContact O-CB 3.39Å; F642-Q646 PolarHBondContact O-N 3.46Å; T643-Q646 PolarHBondContact O-N 3.1Å; Q646-K650 WeakPolarHBondContact O-CB 3.5Å; Q646-K650 WeakPolarHBondContact O-CG 3.21Å; Q646-K650 PolarHBondContact O-N 3.3Å; Q646-K650 VanDerWaalsContact O-N 3.09Å; Q646-L756 HydrophobicContact CB-CD2 3.96Å; Q646-L756 HydrophobicContact CG-CD2 3.67Å |
| 647 | K | 89.8 | Confident | 88.4 | Confident | 109 Ų | 109 | 31.4 Ų | 31.4 | 47% | 0.474 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -66.4 | -46.1 | 178.6 | -168.5 | -176.3 | -177.6 | -161.4 | 0 | 111.8 | E433 T643 A644 L645 K650 Q651 | E433-K647 VanDerWaalsContact OE1-CD 3.31Å; E433-K647 WeakPolarHBondContact OE1-CD 3.23Å; E433-K647 WeakPolarHBondContact OE1-CE 3.3Å; E433-K647 IonicContact OE1-NZ 2.79Å; E433-K647 PolarHBondContact OE1-NZ 3.28Å; T643-K647 WeakPolarHBondContact O-CB 3.19Å; T643-K647 PolarHBondContact O-N 3.41Å; A644-K647 PolarHBondContact O-N 3.26Å; L645-K647 VanDerWaalsContact C-N 3.3Å; L645-K647 PolarHBondContact O-N 2.97Å; K647-K650 PolarHBondContact O-N 3.36Å; K647-Q651 WeakPolarHBondContact O-CB 3.49Å; K647-Q651 PolarHBondContact O-N 3.47Å |
| 648 | S | 89.7 | Confident | 88.4 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.007 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.8 | -40.1 | 178.7 | 48.5 | 0 | 0 | 0 | 0 | 112.7 | A644 L645 Q651 L652 | A644-S648 WeakPolarHBondContact O-CB 3.46Å; A644-S648 PolarHBondContact O-N 3.03Å; A644-S648 PolarHBondContact O-OG 3.46Å; L645-S648 WeakPolarHBondContact CA-OG 3.39Å; L645-S648 PolarHBondContact O-N 2.93Å; L645-S648 PolarHBondContact O-OG 3.42Å; S648-Q651 WeakPolarHBondContact O-CB 3.41Å; S648-Q651 PolarHBondContact O-N 3.43Å; S648-L652 WeakPolarHBondContact O-CB 3.48Å; S648-L652 PolarHBondContact O-N 3.48Å |
| 649 | I | 88.7 | Confident | 88.5 | Confident | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.7 | -45.8 | 174.3 | -71.2 | 173.8 | 0 | 0 | 0 | 110.9 | L645 Q651 L652 E653 I701 L760 | L645-I649 VanDerWaalsContact O-CB 3.32Å; L645-I649 WeakPolarHBondContact O-CB 3.36Å; L645-I649 WeakPolarHBondContact O-CG1 3.45Å; L645-I649 PolarHBondContact O-N 3.42Å; I649-Q651 VanDerWaalsContact C-N 3.33Å; I649-Q651 PolarHBondContact O-N 2.87Å; I649-L652 PolarHBondContact O-N 2.93Å; I649-E653 PolarHBondContact O-N 3.18Å; I649-I701 HydrophobicContact CD1-CG2 4.35Å; I649-L760 HydrophobicContact CB-CD1 4.47Å; I649-L760 HydrophobicContact CG2-CD1 3.26Å; I649-L760 HydrophobicContact CG2-CG 4.42Å |
| 650 | K | 89.3 | Confident | 88.4 | Confident | 110 Ų | 110 | 35.9 Ų | 35.9 | 48% | 0.478 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -64.3 | -36.2 | 175.1 | -76.4 | -178.7 | 176.5 | -172.6 | 0 | 113 | Q646 K647 L652 E653 N654 | Q646-K650 WeakPolarHBondContact O-CB 3.5Å; Q646-K650 WeakPolarHBondContact O-CG 3.21Å; Q646-K650 PolarHBondContact O-N 3.3Å; Q646-K650 VanDerWaalsContact O-N 3.09Å; K647-K650 PolarHBondContact O-N 3.36Å; K650-L652 VanDerWaalsContact C-N 3.34Å; K650-E653 WeakPolarHBondContact O-CB 3.31Å; K650-E653 PolarHBondContact O-N 2.67Å; K650-N654 VanDerWaalsContact O-CG 3.24Å; K650-N654 PolarHBondContact O-N 3.05Å; K650-N654 PolarHBondContact O-ND2 2.85Å |
| 651 | Q | 90 | Very high | 88.2 | Confident | 58 Ų | 58 | 35.7 Ų | 35.7 | 27% | 0.271 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65 | -41.8 | 175.3 | -177 | -176.6 | -4.6 | 0 | 0 | 111.2 | N437 K647 S648 I649 N654 W655 | N437-Q651 PolarHBondContact OD1-NE2 2.76Å; K647-Q651 WeakPolarHBondContact O-CB 3.49Å; K647-Q651 PolarHBondContact O-N 3.47Å; S648-Q651 WeakPolarHBondContact O-CB 3.41Å; S648-Q651 PolarHBondContact O-N 3.43Å; I649-Q651 VanDerWaalsContact C-N 3.33Å; I649-Q651 PolarHBondContact O-N 2.87Å; Q651-N654 PolarHBondContact O-N 3.17Å; Q651-W655 PolarHBondContact O-N 2.66Å |
| 652 | L | 88.9 | Confident | 87.7 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.2 | -41 | 174.9 | -177.7 | 144.4 | 0 | 0 | 0 | 111.1 | F436 W439 S648 I649 K650 N654 W655 I656 W691 L694 L760 | F436-L652 HydrophobicContact CD1-CD1 4.08Å; F436-L652 HydrophobicContact CE1-CD1 4.37Å; W439-L652 HydrophobicContact CE3-CD1 4.27Å; W439-L652 HydrophobicContact CZ3-CD1 3.97Å; S648-L652 WeakPolarHBondContact O-CB 3.48Å; S648-L652 PolarHBondContact O-N 3.48Å; I649-L652 PolarHBondContact O-N 2.93Å; K650-L652 VanDerWaalsContact C-N 3.34Å; L652-N654 PolarHBondContact O-N 3.43Å; L652-W655 PolarHBondContact O-N 3.07Å; L652-I656 HydrophobicContact CD2-CD1 3.47Å; L652-I656 VanDerWaalsContact CD2-CD1 3.47Å; L652-I656 HydrophobicContact CD2-CG1 4.25Å; L652-I656 HydrophobicContact CG-CD1 4.31Å; L652-I656 VanDerWaalsContact O-CG1 3.32Å; L652-I656 WeakPolarHBondContact O-CG1 3.33Å; L652-I656 PolarHBondContact O-N 3.25Å; L652-W691 HydrophobicContact CD1-CZ3 4.5Å; L652-W691 HydrophobicContact CD2-CE3 3.68Å; L652-W691 HydrophobicContact CD2-CZ3 3.66Å; L652-L694 HydrophobicContact CD1-CD1 4.23Å; L652-L760 HydrophobicContact CD2-CD1 4.32Å; L652-L760 HydrophobicContact CD2-CD2 4.14Å |
| 653 | E | 89.2 | Confident | 87 | Confident | 30 Ų | 30 | 42 Ų | 42 | 14% | 0.14 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.5 | -50.4 | 171.4 | -174.9 | 171.2 | -175.2 | 0 | 0 | 112 | I649 K650 W655 I656 T657 S759 L760 | I649-E653 PolarHBondContact O-N 3.18Å; K650-E653 WeakPolarHBondContact O-CB 3.31Å; K650-E653 PolarHBondContact O-N 2.67Å; E653-W655 VanDerWaalsContact C-N 3.28Å; E653-W655 PolarHBondContact O-N 3.41Å; E653-I656 PolarHBondContact O-N 3.03Å; E653-T657 VanDerWaalsContact O-CG2 3.24Å; E653-T657 WeakPolarHBondContact O-CG2 3.46Å; E653-T657 PolarHBondContact O-N 2.98Å; E653-T657 PolarHBondContact O-OG1 2.82Å; E653-S759 VanDerWaalsContact OE1-CB 3.32Å; E653-S759 WeakPolarHBondContact OE1-CB 3.43Å; E653-S759 PolarHBondContact OE1-OG 2.94Å; E653-L760 VanDerWaalsContact CA-CD2 3.45Å; E653-L760 HydrophobicContact CB-CD1 4.47Å; E653-L760 HydrophobicContact CB-CD2 3.39Å; E653-L760 HydrophobicContact CB-CG 3.87Å; E653-L760 HydrophobicContact CG-CD2 3.68Å; E653-L760 HydrophobicContact CG-CG 4.11Å |
| 654 | N | 89.1 | Confident | 85.7 | Confident | 81 Ų | 81 | 46.2 Ų | 46.2 | 43% | 0.433 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.6 | -32.7 | 177.7 | -69.8 | -16.1 | 0 | 0 | 0 | 112.7 | K650 Q651 L652 T657 N658 | K650-N654 VanDerWaalsContact O-CG 3.24Å; K650-N654 PolarHBondContact O-N 3.05Å; K650-N654 PolarHBondContact O-ND2 2.85Å; Q651-N654 PolarHBondContact O-N 3.17Å; L652-N654 PolarHBondContact O-N 3.43Å; N654-T657 WeakPolarHBondContact CA-OG1 3.26Å; N654-T657 PolarHBondContact O-OG1 2.97Å; N654-N658 VanDerWaalsContact O-CB 3.3Å; N654-N658 WeakPolarHBondContact O-CB 2.97Å; N654-N658 VanDerWaalsContact O-CG 3.26Å; N654-N658 PolarHBondContact O-N 3.31Å; N654-N658 PolarHBondContact O-ND2 3.33Å |
| 655 | W | 90.4 | Very high | 84.2 | Confident | 50 Ų | 50 | 49.2 Ų | 49.2 | 19% | 0.189 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70.3 | -44.7 | 174.5 | 178 | 86.5 | 0 | 0 | 0 | 111 | I440 F443 D444 L447 Q651 L652 E653 T657 N658 K659 | I440-W655 HydrophobicContact CD1-CB 4.3Å; I440-W655 HydrophobicContact CD1-CG 4.32Å; I440-W655 HydrophobicContact CG1-CD2 4.44Å; I440-W655 HydrophobicContact CG2-CD2 3.68Å; I440-W655 HydrophobicContact CG2-CE3 4.41Å; I440-W655 HydrophobicContact CG2-CG 3.81Å; I440-W655 HydrophobicContact CG2-CZ2 3.95Å; I440-W655 VanDerWaalsContact CG2-NE1 3.28Å; F443-W655 AromaticContact CD1-CH2 3.73Å; F443-W655 HydrophobicContact CD1-CH2 3.73Å; F443-W655 HydrophobicContact CD1-CZ3 4.08Å; F443-W655 HydrophobicContact CE1-CH2 4.1Å; F443-W655 HydrophobicContact CE1-CZ3 4.3Å; D444-W655 HydrophobicContact CB-CZ2 4.09Å; L447-W655 HydrophobicContact CD1-CH2 4.02Å; Q651-W655 PolarHBondContact O-N 2.66Å; L652-W655 PolarHBondContact O-N 3.07Å; E653-W655 VanDerWaalsContact C-N 3.28Å; E653-W655 PolarHBondContact O-N 3.41Å; W655-T657 PolarHBondContact O-N 3.4Å; W655-N658 PolarHBondContact O-N 2.83Å; W655-K659 HydrophobicContact CH2-CB 4.48Å; W655-K659 HydrophobicContact CH2-CG 4.33Å; W655-K659 HydrophobicContact CZ2-CB 4.33Å; W655-K659 HydrophobicContact CZ2-CD 4.11Å; W655-K659 HydrophobicContact CZ2-CG 4.15Å; W655-K659 WeakPolarHBondContact O-CB 3.39Å; W655-K659 PolarHBondContact O-N 2.93Å |
| 656 | I | 89.4 | Confident | 82.9 | Confident | 6 Ų | 6 | 49.8 Ų | 49.8 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.7 | -45.5 | 178.3 | -67.8 | 177 | 0 | 0 | 0 | 110.7 | L652 E653 N658 K659 A660 I687 L760 L763 I764 I767 | L652-I656 HydrophobicContact CD2-CD1 3.47Å; L652-I656 VanDerWaalsContact CD2-CD1 3.47Å; L652-I656 HydrophobicContact CD2-CG1 4.25Å; L652-I656 HydrophobicContact CG-CD1 4.31Å; L652-I656 VanDerWaalsContact O-CG1 3.32Å; L652-I656 WeakPolarHBondContact O-CG1 3.33Å; L652-I656 PolarHBondContact O-N 3.25Å; E653-I656 PolarHBondContact O-N 3.03Å; I656-N658 VanDerWaalsContact C-N 3.35Å; I656-N658 PolarHBondContact O-N 2.78Å; I656-K659 PolarHBondContact O-N 3.42Å; I656-A660 VanDerWaalsContact O-CB 3.28Å; I656-A660 WeakPolarHBondContact O-CB 3.39Å; I656-A660 PolarHBondContact O-N 2.99Å; I656-I687 HydrophobicContact CD1-CG2 4.42Å; I656-I687 HydrophobicContact CG1-CG2 4.25Å; I656-I687 HydrophobicContact CG2-CG2 3.66Å; I656-L760 HydrophobicContact CD1-CD2 4.41Å; I656-L763 HydrophobicContact CB-CD2 3.93Å; I656-L763 HydrophobicContact CG2-CD2 3.44Å; I656-L763 VanDerWaalsContact CG2-CD2 3.44Å; I656-I764 HydrophobicContact CD1-CD1 4.43Å; I656-I767 HydrophobicContact CG2-CD1 3.4Å; I656-I767 VanDerWaalsContact CG2-CD1 3.4Å |
| 657 | T | 86.5 | Confident | 81.2 | Confident | 5 Ų | 5 | 54.3 Ų | 54.3 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59 | -46.8 | 177.6 | 57.6 | 0 | 0 | 0 | 0 | 111.2 | E653 N654 W655 Y661 G662 R663 Q664 L763 | E653-T657 VanDerWaalsContact O-CG2 3.24Å; E653-T657 WeakPolarHBondContact O-CG2 3.46Å; E653-T657 PolarHBondContact O-N 2.98Å; E653-T657 PolarHBondContact O-OG1 2.82Å; N654-T657 WeakPolarHBondContact CA-OG1 3.26Å; N654-T657 PolarHBondContact O-OG1 2.97Å; W655-T657 PolarHBondContact O-N 3.4Å; T657-Y661 PolarHBondContact O-N 2.84Å; T657-G662 PolarHBondContact O-N 3.19Å; T657-R663 CarbonylContact C-O 3.58Å; T657-R663 PolarHBondContact OG1-O 3.44Å; T657-Q664 PolarHBondContact OG1-O 2.61Å; T657-L763 HydrophobicContact CG2-CD1 3.28Å; T657-L763 HydrophobicContact CG2-CD2 4.05Å; T657-L763 HydrophobicContact CG2-CG 4.3Å |
| 658 | N | 86.5 | Confident | 79.4 | Confident | 66 Ų | 66 | 56.4 Ų | 56.4 | 35% | 0.353 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.3 | -40 | 177.6 | -79.5 | -48 | 0 | 0 | 0 | 112.1 | N654 W655 I656 G662 R663 Q664 | N654-N658 VanDerWaalsContact O-CB 3.3Å; N654-N658 WeakPolarHBondContact O-CB 2.97Å; N654-N658 VanDerWaalsContact O-CG 3.26Å; N654-N658 PolarHBondContact O-N 3.31Å; N654-N658 PolarHBondContact O-ND2 3.33Å; W655-N658 PolarHBondContact O-N 2.83Å; I656-N658 VanDerWaalsContact C-N 3.35Å; I656-N658 PolarHBondContact O-N 2.78Å; N658-G662 WeakPolarHBondContact O-CA 3.45Å; N658-G662 PolarHBondContact O-N 2.81Å; N658-R663 PolarHBondContact N-O 2.93Å; N658-R663 PolarHBondContact OD1-O 3.27Å; N658-Q664 WeakPolarHBondContact OD1-CA 3.46Å; N658-Q664 PolarHBondContact OD1-N 3.27Å |
| 659 | K | 85.4 | Confident | 77.4 | Confident | 67 Ų | 67 | 59 Ų | 59 | 29% | 0.291 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -70.2 | -46.4 | 179.5 | -163.4 | 76.5 | -173.5 | -168.2 | 0 | 111.1 | D444 W655 I656 V679 I687 | D444-K659 WeakPolarHBondContact OD1-CE 3.39Å; D444-K659 IonicContact OD1-NZ 2.74Å; D444-K659 PolarHBondContact OD1-NZ 2.86Å; D444-K659 IonicContact OD2-NZ 3.8Å; D444-K659 PolarHBondContact OD2-NZ 3.33Å; W655-K659 HydrophobicContact CH2-CB 4.48Å; W655-K659 HydrophobicContact CH2-CG 4.33Å; W655-K659 HydrophobicContact CZ2-CB 4.33Å; W655-K659 HydrophobicContact CZ2-CD 4.11Å; W655-K659 HydrophobicContact CZ2-CG 4.15Å; W655-K659 WeakPolarHBondContact O-CB 3.39Å; W655-K659 PolarHBondContact O-N 2.93Å; I656-K659 PolarHBondContact O-N 3.42Å; K659-V679 WeakPolarHBondContact O-CG2 3.34Å; K659-I687 HydrophobicContact CG-CD1 4.36Å |
| 660 | A | 84.4 | Confident | 75.6 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -71 | -44.8 | -176 | 0 | 0 | 0 | 0 | 0 | 113.1 | I656 L677 K678 I767 | I656-A660 VanDerWaalsContact O-CB 3.28Å; I656-A660 WeakPolarHBondContact O-CB 3.39Å; I656-A660 PolarHBondContact O-N 2.99Å; A660-L677 HydrophobicContact CB-CD2 4.09Å; A660-K678 PolarHBondContact O-N 3.29Å; A660-I767 HydrophobicContact CB-CD1 3.81Å; A660-I767 HydrophobicContact CB-CG1 4.06Å |
| 661 | Y | 83.3 | Confident | 73.8 | Confident | 7 Ų | 7 | 65.6 Ų | 65.6 | 3% | 0.027 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -118.3 | -17 | -171.8 | -56.6 | -79.3 | 0 | 0 | 0 | 114 | T657 L666 V675 L677 K678 I767 D770 | T657-Y661 PolarHBondContact O-N 2.84Å; Y661-L666 HydrophobicContact CD2-CD1 3.35Å; Y661-L666 HydrophobicContact CE2-CD1 3.56Å; Y661-L666 HydrophobicContact CG-CD1 3.98Å; Y661-V675 HydrophobicContact CD1-CB 3.92Å; Y661-V675 HydrophobicContact CD1-CG1 3.73Å; Y661-V675 HydrophobicContact CE1-CB 4.09Å; Y661-V675 HydrophobicContact CE1-CG1 4.4Å; Y661-V675 HydrophobicContact CG-CG1 4.43Å; Y661-L677 HydrophobicContact CD1-CD2 4.2Å; Y661-L677 HydrophobicContact CE1-CD2 3.79Å; Y661-L677 HydrophobicContact CE1-CG 4.22Å; Y661-K678 WeakPolarHBondContact O-CD 3.49Å; Y661-K678 VanDerWaalsContact O-CE 3.25Å; Y661-K678 WeakPolarHBondContact O-CE 3.44Å; Y661-I767 HydrophobicContact CE2-CD1 4.27Å; Y661-I767 HydrophobicContact CE2-CG1 3.68Å; Y661-D770 WeakPolarHBondContact CE1-OD2 3.43Å; Y661-D770 PolarHBondContact OH-OD2 2.81Å |
| 662 | G | 77.3 | Confident | 71.9 | Confident | 31 Ų | 31 | 69.4 Ų | 69.4 | 32% | 0.32 | 34% | 0.339 | S | S | . | . | S | Bend | trans | 69.5 | 33.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | T657 N658 | T657-G662 PolarHBondContact O-N 3.19Å; N658-G662 WeakPolarHBondContact O-CA 3.45Å; N658-G662 PolarHBondContact O-N 2.81Å |
| 663 | R | 72.2 | Confident | 70.1 | Confident | 119 Ų | 119 | 75 Ų | 75 | 45% | 0.449 | 37% | 0.367 | S | S | . | . | trans | -131.9 | 150.1 | 174.8 | -65.9 | -175.4 | -179.3 | -177.8 | 1.7 | 109.9 | T657 N658 D669 | T657-R663 CarbonylContact C-O 3.58Å; T657-R663 PolarHBondContact OG1-O 3.44Å; N658-R663 PolarHBondContact N-O 2.93Å; N658-R663 PolarHBondContact OD1-O 3.27Å; R663-D669 IonicContact NH1-OD2 2.85Å; R663-D669 PolarHBondContact NH1-OD2 3.32Å | ||
| 664 | Q | 60.7 | Low | 68.7 | Low | 156 Ų | 156 | 76.2 Ų | 76.2 | 73% | 0.729 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -74.2 | -35.6 | -177.9 | -69.3 | -178.8 | -4.5 | 0 | 0 | 113.6 | T657 N658 | T657-Q664 PolarHBondContact OG1-O 2.61Å; N658-Q664 WeakPolarHBondContact OD1-CA 3.46Å; N658-Q664 PolarHBondContact OD1-N 3.27Å |
| 665 | S | 59.4 | Low | 67.6 | Low | 65 Ų | 65 | 73 Ų | 73 | 46% | 0.455 | 36% | 0.362 | S | S | . | . | trans | -145.4 | 152.6 | 178.2 | 64.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 666 | L | 59.5 | Low | 66.6 | Low | 13 Ų | 13 | 75.3 Ų | 75.3 | 7% | 0.068 | 38% | 0.384 | C | S | . | . | trans | -117.3 | 21.2 | -176.5 | -108.5 | 149.1 | 0 | 0 | 0 | 112 | Y661 N668 D669 F670 V675 L763 | Y661-L666 HydrophobicContact CD2-CD1 3.35Å; Y661-L666 HydrophobicContact CE2-CD1 3.56Å; Y661-L666 HydrophobicContact CG-CD1 3.98Å; L666-N668 PolarHBondContact O-N 2.91Å; L666-D669 HydrophobicContact CD2-CB 4.13Å; L666-D669 PolarHBondContact O-N 3.46Å; L666-F670 HydrophobicContact CB-CE2 3.95Å; L666-F670 HydrophobicContact CB-CZ 3.88Å; L666-F670 VanDerWaalsContact O-CD2 3.27Å; L666-F670 WeakPolarHBondContact O-CD2 3.32Å; L666-F670 VanDerWaalsContact O-CE2 3.3Å; L666-F670 WeakPolarHBondContact O-CE2 3.47Å; L666-V675 HydrophobicContact CD2-CG2 4.17Å; L666-L763 HydrophobicContact CD1-CD1 4.31Å | ||
| 667 | E | 56.4 | Low | 66.1 | Low | 159 Ų | 159 | 76 Ų | 76 | 74% | 0.743 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -15.6 | -161.3 | -75.3 | 179.1 | 163.4 | 0 | 0 | 115.9 | ||
| 668 | N | 50.3 | Low | 65.7 | Low | 153 Ų | 153 | 83.1 Ų | 83.1 | 82% | 0.818 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.6 | -5.4 | -176.9 | -68 | -37.5 | 0 | 0 | 0 | 116.2 | L666 | L666-N668 PolarHBondContact O-N 2.91Š|
| 669 | D | 49.4 | Very low | 65.3 | Low | 56 Ų | 56 | 81.6 Ų | 81.6 | 30% | 0.299 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -9.6 | -170.3 | -74.1 | -14.4 | 0 | 0 | 0 | 114.2 | R663 L666 R671 V675 | R663-D669 IonicContact NH1-OD2 2.85Å; R663-D669 PolarHBondContact NH1-OD2 3.32Å; L666-D669 HydrophobicContact CD2-CB 4.13Å; L666-D669 PolarHBondContact O-N 3.46Å; D669-R671 PolarHBondContact O-N 3.37Å; D669-V675 HydrophobicContact CB-CG2 4.23Å |
| 670 | F | 50.8 | Low | 64.9 | Low | 53 Ų | 53 | 81.2 Ų | 81.2 | 23% | 0.232 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -26.4 | -176.8 | -75.7 | -71.8 | 0 | 0 | 0 | 114.2 | L666 L763 Q766 | L666-F670 HydrophobicContact CB-CE2 3.95Å; L666-F670 HydrophobicContact CB-CZ 3.88Å; L666-F670 VanDerWaalsContact O-CD2 3.27Å; L666-F670 WeakPolarHBondContact O-CD2 3.32Å; L666-F670 VanDerWaalsContact O-CE2 3.3Å; L666-F670 WeakPolarHBondContact O-CE2 3.47Å; F670-L763 HydrophobicContact CZ-CD1 4.26Å; F670-Q766 HydrophobicContact CD1-CB 4.41Å; F670-Q766 HydrophobicContact CD1-CG 4.13Å; F670-Q766 HydrophobicContact CE1-CB 4.31Å; F670-Q766 HydrophobicContact CE1-CG 4.3Å |
| 671 | R | 50.6 | Low | 64.6 | Low | 200 Ų | 200 | 82.2 Ų | 82.2 | 76% | 0.755 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -25 | -165.5 | -72.6 | -171.5 | 179.2 | -173.7 | 1.9 | 116.3 | D669 Q979 | D669-R671 PolarHBondContact O-N 3.37Å; R671-Q979 PolarHBondContact O-NE2 3.4Å |
| 672 | N | 49.5 | Very low | 64.3 | Low | 138 Ų | 138 | 82.5 Ų | 82.5 | 74% | 0.738 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -148.3 | -18.4 | -168.8 | -74.8 | -37.3 | 0 | 0 | 0 | 117.9 | Q979 | N672-Q979 PolarHBondContact OD1-NE2 3.06Å; N672-Q979 VanDerWaalsContact OD1-NE2 3.14Å |
| 673 | I | 52.1 | Low | 64.5 | Low | 119 Ų | 119 | 81.5 Ų | 81.5 | 61% | 0.61 | 41% | 0.408 | S | S | * | . | trans | -117.7 | 109.7 | -177.5 | -57.8 | 171 | 0 | 0 | 0 | 107.6 | V675 | I673-V675 PolarHBondContact O-N 2.87Š| ||
| 674 | S | 58.5 | Low | 65.1 | Low | 57 Ų | 57 | 75.9 Ų | 75.9 | 40% | 0.399 | 39% | 0.387 | S | S | . | . | trans | -57.4 | 102.8 | 170.1 | 56.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 675 | V | 66.1 | Low | 66.1 | Low | 12 Ų | 12 | 68.6 Ų | 68.6 | 7% | 0.073 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 124.7 | 179.3 | -178 | 0 | 0 | 0 | 0 | 106.9 | Y661 L666 D669 I673 L677 | Y661-V675 HydrophobicContact CD1-CB 3.92Å; Y661-V675 HydrophobicContact CD1-CG1 3.73Å; Y661-V675 HydrophobicContact CE1-CB 4.09Å; Y661-V675 HydrophobicContact CE1-CG1 4.4Å; Y661-V675 HydrophobicContact CG-CG1 4.43Å; L666-V675 HydrophobicContact CD2-CG2 4.17Å; D669-V675 HydrophobicContact CB-CG2 4.23Å; I673-V675 PolarHBondContact O-N 2.87Å; V675-L677 PolarHBondContact O-N 3.25Å |
| 676 | P | 70.6 | Confident | 67.2 | Low | 99 Ų | 99 | 65.9 Ų | 65.9 | 64% | 0.643 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 125.3 | -178.7 | 23.9 | -32.3 | 0 | 0 | 0 | 109.9 | ||
| 677 | L | 78.7 | Confident | 68.5 | Low | 21 Ų | 21 | 65.4 Ų | 65.4 | 11% | 0.11 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 133.1 | 172.6 | -77 | 162.3 | 0 | 0 | 0 | 109.4 | A660 Y661 V675 V679 D770 S771 | A660-L677 HydrophobicContact CB-CD2 4.09Å; Y661-L677 HydrophobicContact CD1-CD2 4.2Å; Y661-L677 HydrophobicContact CE1-CD2 3.79Å; Y661-L677 HydrophobicContact CE1-CG 4.22Å; V675-L677 PolarHBondContact O-N 3.25Å; L677-V679 VanDerWaalsContact C-N 3.33Å; L677-D770 VanDerWaalsContact CD1-C 3.43Å; L677-D770 HydrophobicContact CD1-CB 3.62Å; L677-D770 HydrophobicContact CG-CB 3.95Å; L677-S771 VanDerWaalsContact CD1-N 3.29Å; L677-S771 WeakPolarHBondContact CD1-OG 3.34Å |
| 678 | K | 77.6 | Confident | 69.9 | Low | 155 Ų | 155 | 57.8 Ų | 57.8 | 67% | 0.674 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -78.1 | -24.8 | 171.4 | -73.6 | -171.2 | 178.8 | 178.8 | 0 | 112.1 | A660 Y661 | A660-K678 PolarHBondContact O-N 3.29Å; Y661-K678 WeakPolarHBondContact O-CD 3.49Å; Y661-K678 VanDerWaalsContact O-CE 3.25Å; Y661-K678 WeakPolarHBondContact O-CE 3.44Å |
| 679 | V | 77.8 | Confident | 71.3 | Confident | 34 Ų | 34 | 51.3 Ų | 51.3 | 21% | 0.206 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -96.6 | 151 | -177.8 | -153.3 | 0 | 0 | 0 | 0 | 109.9 | K659 L677 C683 | K659-V679 WeakPolarHBondContact O-CG2 3.34Å; L677-V679 VanDerWaalsContact C-N 3.33Å; V679-C683 HydrophobicContact CB-CB 4.36Å; V679-C683 HydrophobicContact CG1-CB 3.31Å |
| 680 | H | 78.1 | Confident | 73 | Confident | 59 Ų | 59 | 48.7 Ų | 48.7 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | trans | -55 | 142.6 | 171.4 | -169.4 | -90.6 | 0 | 0 | 0 | 111.3 | Q478 S682 C683 G684 | Q478-H680 PolarHBondContact NE2-NE2 3.37Å; H680-S682 VanDerWaalsContact C-N 3.27Å; H680-S682 PolarHBondContact ND1-N 2.92Å; H680-S682 PolarHBondContact ND1-OG 3.05Å; H680-S682 PolarHBondContact O-N 3.37Å; H680-C683 WeakPolarHBondContact O-CB 3.08Å; H680-C683 PolarHBondContact O-N 2.8Å; H680-G684 PolarHBondContact O-N 2.84Å; H680-G684 VanDerWaalsContact O-N 3.12Å | ||
| 681 | P | 78.6 | Confident | 74.7 | Confident | 21 Ų | 21 | 46.3 Ų | 46.3 | 14% | 0.136 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.8 | -37 | -176.2 | 19.8 | -34.6 | 0 | 0 | 0 | 113.9 | C683 G684 I685 S771 F886 | P681-C683 VanDerWaalsContact C-N 3.29Å; P681-C683 PolarHBondContact O-N 3.27Å; P681-G684 PolarHBondContact O-N 3.31Å; P681-I685 WeakPolarHBondContact O-CD1 3.38Å; P681-I685 WeakPolarHBondContact O-CG1 3.48Å; P681-I685 PolarHBondContact O-N 3.25Å; P681-S771 WeakPolarHBondContact CB-O 3.37Å; P681-S771 WeakPolarHBondContact O-CB 3.3Å; P681-F886 HydrophobicContact CB-CE2 4.29Å; P681-F886 HydrophobicContact CB-CZ 4.21Å; P681-F886 HydrophobicContact CG-CZ 4.29Å |
| 682 | S | 76.2 | Confident | 76.2 | Confident | 12 Ų | 12 | 39.4 Ų | 39.4 | 8% | 0.084 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.5 | -36.9 | 175.6 | 63.6 | 0 | 0 | 0 | 0 | 113 | H680 L686 | H680-S682 VanDerWaalsContact C-N 3.27Å; H680-S682 PolarHBondContact ND1-N 2.92Å; H680-S682 PolarHBondContact ND1-OG 3.05Å; H680-S682 PolarHBondContact O-N 3.37Å; S682-L686 PolarHBondContact O-N 2.88Å |
| 683 | C | 82.4 | Confident | 77.6 | Confident | 10 Ų | 10 | 33 Ų | 33 | 7% | 0.068 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -74.4 | -36.8 | 176.9 | -62.3 | 0 | 0 | 0 | 0 | 111.3 | L447 V679 H680 P681 I685 L686 I687 | L447-C683 HydrophobicContact CD2-CB 4.33Å; V679-C683 HydrophobicContact CB-CB 4.36Å; V679-C683 HydrophobicContact CG1-CB 3.31Å; H680-C683 WeakPolarHBondContact O-CB 3.08Å; H680-C683 PolarHBondContact O-N 2.8Å; P681-C683 VanDerWaalsContact C-N 3.29Å; P681-C683 PolarHBondContact O-N 3.27Å; C683-I685 VanDerWaalsContact C-N 3.28Å; C683-I685 PolarHBondContact O-N 3.43Å; C683-L686 WeakPolarHBondContact O-CB 3.43Å; C683-L686 PolarHBondContact O-N 3.18Å; C683-I687 VanDerWaalsContact O-CG1 3.28Å; C683-I687 WeakPolarHBondContact O-CG1 3.32Å; C683-I687 PolarHBondContact O-N 3.45Å |
| 684 | G | 83.7 | Confident | 79.1 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.6 | -40.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | H680 P681 I687 S688 I767 S771 | H680-G684 PolarHBondContact O-N 2.84Å; H680-G684 VanDerWaalsContact O-N 3.12Å; P681-G684 PolarHBondContact O-N 3.31Å; G684-I687 PolarHBondContact O-N 3.17Å; G684-S688 PolarHBondContact O-N 3.43Å; G684-I767 WeakPolarHBondContact O-CG2 3.18Å; G684-S771 WeakPolarHBondContact CA-OG 3.21Å |
| 685 | I | 82.9 | Confident | 80.1 | Confident | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.015 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.4 | -43.9 | 173.4 | -65.8 | 154.2 | 0 | 0 | 0 | 111.1 | P681 C683 I687 S688 R689 F886 | P681-I685 WeakPolarHBondContact O-CD1 3.38Å; P681-I685 WeakPolarHBondContact O-CG1 3.48Å; P681-I685 PolarHBondContact O-N 3.25Å; C683-I685 VanDerWaalsContact C-N 3.28Å; C683-I685 PolarHBondContact O-N 3.43Å; I685-I687 VanDerWaalsContact C-N 3.31Å; I685-I687 PolarHBondContact O-N 3.13Å; I685-S688 WeakPolarHBondContact O-CB 3.42Å; I685-S688 PolarHBondContact O-N 2.89Å; I685-S688 VanDerWaalsContact O-N 3.15Å; I685-S688 PolarHBondContact O-OG 3.42Å; I685-R689 HydrophobicContact CG2-CG 4.11Å; I685-R689 VanDerWaalsContact O-CG 3.27Å; I685-R689 WeakPolarHBondContact O-CG 3.34Å; I685-R689 PolarHBondContact O-N 3.09Å; I685-F886 HydrophobicContact CD1-CB 3.37Å; I685-F886 HydrophobicContact CD1-CD1 3.32Å; I685-F886 HydrophobicContact CD1-CD2 3.58Å; I685-F886 HydrophobicContact CD1-CE1 3.92Å; I685-F886 HydrophobicContact CD1-CE2 4.15Å; I685-F886 HydrophobicContact CD1-CG 3.12Å; I685-F886 HydrophobicContact CD1-CZ 4.3Å |
| 686 | L | 82.2 | Confident | 80.4 | Confident | 9 Ų | 9 | 27 Ų | 27 | 5% | 0.047 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -53.7 | -47.4 | 173.2 | -89.1 | 170 | 0 | 0 | 0 | 112.9 | L447 W481 S682 C683 S688 R689 A690 | L447-L686 HydrophobicContact CD2-CB 4.02Å; L447-L686 HydrophobicContact CD2-CD1 4.21Å; W481-L686 HydrophobicContact CH2-CD1 4.23Å; W481-L686 HydrophobicContact CH2-CD2 3.15Å; W481-L686 HydrophobicContact CH2-CG 3.82Å; W481-L686 HydrophobicContact CZ2-CD1 3.72Å; W481-L686 HydrophobicContact CZ2-CD2 3.15Å; W481-L686 HydrophobicContact CZ2-CG 3.26Å; W481-L686 HydrophobicContact CZ3-CD2 4.24Å; S682-L686 PolarHBondContact O-N 2.88Å; C683-L686 WeakPolarHBondContact O-CB 3.43Å; C683-L686 PolarHBondContact O-N 3.18Å; L686-S688 VanDerWaalsContact C-N 3.32Å; L686-S688 PolarHBondContact O-N 2.95Å; L686-R689 PolarHBondContact O-N 2.77Å; L686-A690 WeakPolarHBondContact O-CB 3.43Å; L686-A690 PolarHBondContact O-N 2.8Å |
| 687 | I | 87 | Confident | 80.6 | Confident | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.01 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.4 | -48.1 | 177 | -71.1 | 164.9 | 0 | 0 | 0 | 110.2 | F443 L447 I656 K659 C683 G684 I685 R689 A690 W691 | F443-I687 HydrophobicContact CE1-CG1 4.07Å; F443-I687 HydrophobicContact CZ-CG1 4.43Å; L447-I687 HydrophobicContact CD1-CD1 4.24Å; L447-I687 HydrophobicContact CD1-CG1 4Å; L447-I687 HydrophobicContact CD2-CG1 4.31Å; I656-I687 HydrophobicContact CD1-CG2 4.42Å; I656-I687 HydrophobicContact CG1-CG2 4.25Å; I656-I687 HydrophobicContact CG2-CG2 3.66Å; K659-I687 HydrophobicContact CG-CD1 4.36Å; C683-I687 VanDerWaalsContact O-CG1 3.28Å; C683-I687 WeakPolarHBondContact O-CG1 3.32Å; C683-I687 PolarHBondContact O-N 3.45Å; G684-I687 PolarHBondContact O-N 3.17Å; I685-I687 VanDerWaalsContact C-N 3.31Å; I685-I687 PolarHBondContact O-N 3.13Å; I687-R689 VanDerWaalsContact C-N 3.33Å; I687-R689 PolarHBondContact O-N 3.21Å; I687-A690 PolarHBondContact O-N 2.68Å; I687-W691 PolarHBondContact O-N 3.5Å |
| 688 | S | 84.2 | Confident | 80.7 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60 | -42.8 | 177.4 | 75.8 | 0 | 0 | 0 | 0 | 112.9 | G684 I685 L686 A690 W691 Y692 T768 | G684-S688 PolarHBondContact O-N 3.43Å; I685-S688 WeakPolarHBondContact O-CB 3.42Å; I685-S688 PolarHBondContact O-N 2.89Å; I685-S688 VanDerWaalsContact O-N 3.15Å; I685-S688 PolarHBondContact O-OG 3.42Å; L686-S688 VanDerWaalsContact C-N 3.32Å; L686-S688 PolarHBondContact O-N 2.95Å; S688-A690 VanDerWaalsContact C-N 3.35Å; S688-W691 PolarHBondContact O-N 3.2Å; S688-Y692 WeakPolarHBondContact O-CD2 3.5Å; S688-Y692 PolarHBondContact O-N 3.27Å; S688-T768 WeakPolarHBondContact OG-CG2 3.34Å |
| 689 | R | 81.5 | Confident | 80.4 | Confident | 16 Ų | 16 | 14.9 Ų | 14.9 | 6% | 0.06 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -68.7 | -37.6 | -179 | -68.1 | -64.4 | -176.3 | -143.8 | 3.5 | 110.8 | I685 L686 I687 W691 Y692 A693 L887 K890 | I685-R689 HydrophobicContact CG2-CG 4.11Å; I685-R689 VanDerWaalsContact O-CG 3.27Å; I685-R689 WeakPolarHBondContact O-CG 3.34Å; I685-R689 PolarHBondContact O-N 3.09Å; L686-R689 PolarHBondContact O-N 2.77Å; I687-R689 VanDerWaalsContact C-N 3.33Å; I687-R689 PolarHBondContact O-N 3.21Å; R689-W691 VanDerWaalsContact C-N 3.32Å; R689-W691 PolarHBondContact O-N 3.07Å; R689-Y692 PolarHBondContact O-N 3.2Å; R689-A693 VanDerWaalsContact O-CB 3.29Å; R689-A693 WeakPolarHBondContact O-CB 3.15Å; R689-A693 PolarHBondContact O-N 3.34Å; R689-L887 PolarHBondContact NH2-O 3.13Å; R689-K890 VanDerWaalsContact NH1-CD 3.29Å |
| 690 | A | 84.5 | Confident | 80.5 | Confident | 1 Ų | 1 | 13.3 Ų | 13.3 | 1% | 0.008 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -61 | -39.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | W439 F443 L608 L686 I687 S688 A693 L694 | W439-A690 HydrophobicContact CH2-CB 4.18Å; W439-A690 HydrophobicContact CZ2-CB 4.35Å; F443-A690 HydrophobicContact CD2-CB 4.18Å; F443-A690 HydrophobicContact CE1-CB 4.01Å; F443-A690 HydrophobicContact CE2-CB 3.35Å; F443-A690 HydrophobicContact CZ-CB 3.27Å; L608-A690 HydrophobicContact CD1-CB 3.95Å; L608-A690 HydrophobicContact CD2-CB 4.47Å; L686-A690 WeakPolarHBondContact O-CB 3.43Å; L686-A690 PolarHBondContact O-N 2.8Å; I687-A690 PolarHBondContact O-N 2.68Å; S688-A690 VanDerWaalsContact C-N 3.35Å; A690-A693 PolarHBondContact O-N 2.7Å; A690-L694 VanDerWaalsContact O-CB 3.27Å; A690-L694 WeakPolarHBondContact O-CB 3.35Å; A690-L694 PolarHBondContact O-N 3.1Å |
| 691 | W | 85.9 | Confident | 80.7 | Confident | 4 Ų | 4 | 10.7 Ų | 10.7 | 2% | 0.015 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -67.6 | -46.4 | 173.3 | 175.5 | -106.2 | 0 | 0 | 0 | 113 | L652 I687 S688 R689 A693 L694 V695 L760 F761 I764 | L652-W691 HydrophobicContact CD1-CZ3 4.5Å; L652-W691 HydrophobicContact CD2-CE3 3.68Å; L652-W691 HydrophobicContact CD2-CZ3 3.66Å; I687-W691 PolarHBondContact O-N 3.5Å; S688-W691 PolarHBondContact O-N 3.2Å; R689-W691 VanDerWaalsContact C-N 3.32Å; R689-W691 PolarHBondContact O-N 3.07Å; W691-A693 PolarHBondContact O-N 2.85Å; W691-L694 HydrophobicContact CE3-CD2 4.05Å; W691-L694 HydrophobicContact CH2-CD2 4.49Å; W691-L694 HydrophobicContact CZ3-CD2 3.77Å; W691-L694 PolarHBondContact O-N 2.86Å; W691-L694 VanDerWaalsContact O-N 3.08Å; W691-V695 HydrophobicContact CD2-CG2 4.11Å; W691-V695 HydrophobicContact CG-CG2 4.49Å; W691-V695 HydrophobicContact CH2-CG2 4.4Å; W691-V695 HydrophobicContact CZ2-CG2 3.79Å; W691-V695 WeakPolarHBondContact O-CG2 3.27Å; W691-V695 PolarHBondContact O-N 2.97Å; W691-L760 HydrophobicContact CE3-CD1 4.49Å; W691-L760 HydrophobicContact CH2-CD1 3.39Å; W691-L760 HydrophobicContact CZ2-CB 4.04Å; W691-L760 HydrophobicContact CZ2-CD1 3.6Å; W691-L760 HydrophobicContact CZ2-CG 4.46Å; W691-L760 HydrophobicContact CZ3-CD1 3.87Å; W691-F761 AromaticContact CD1-CE1 3.81Å; W691-F761 AromaticContact NE1-CD1 3.69Å; W691-F761 AromaticContact NE1-CE1 3.44Å; W691-F761 AromaticContact NE1-CZ 3.71Å; W691-I764 HydrophobicContact CB-CD1 3.21Å; W691-I764 HydrophobicContact CB-CG1 4.36Å; W691-I764 HydrophobicContact CD2-CD1 3.8Å; W691-I764 HydrophobicContact CG-CD1 3.02Å; W691-I764 HydrophobicContact CG-CG1 4.45Å |
| 692 | Y | 81.9 | Confident | 80.6 | Confident | 55 Ų | 55 | 9.8 Ų | 9.8 | 22% | 0.216 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -59 | -37.7 | 175.5 | -79.1 | -69.2 | 0 | 0 | 0 | 111.4 | S688 R689 N696 F761 I764 N765 | S688-Y692 WeakPolarHBondContact O-CD2 3.5Å; S688-Y692 PolarHBondContact O-N 3.27Å; R689-Y692 PolarHBondContact O-N 3.2Å; Y692-N696 WeakPolarHBondContact O-CB 3.48Å; Y692-N696 VanDerWaalsContact O-CG 3.23Å; Y692-N696 PolarHBondContact O-N 3.23Å; Y692-N696 VanDerWaalsContact O-N 3.1Å; Y692-N696 PolarHBondContact O-ND2 3.31Å; Y692-F761 AromaticContact CD1-CE1 3.98Å; Y692-F761 HydrophobicContact CD1-CE1 3.98Å; Y692-F761 AromaticContact CE1-CD1 3.92Å; Y692-F761 HydrophobicContact CE1-CD1 3.92Å; Y692-F761 AromaticContact CE1-CE1 3.58Å; Y692-F761 HydrophobicContact CE1-CE1 3.58Å; Y692-I764 HydrophobicContact CD2-CG2 4.31Å; Y692-I764 HydrophobicContact CE2-CG2 3.79Å; Y692-N765 PolarHBondContact OH-OD1 2.85Å |
| 693 | A | 80.1 | Confident | 80.4 | Confident | 2 Ų | 2 | 9.2 Ų | 9.2 | 2% | 0.017 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -64.9 | -44.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L604 L608 R689 A690 W691 V695 N696 C697 | L604-A693 HydrophobicContact CD1-CB 4.38Å; L604-A693 HydrophobicContact CD2-CB 3.71Å; L604-A693 HydrophobicContact CG-CB 3.93Å; L608-A693 HydrophobicContact CD2-CB 3.79Å; L608-A693 HydrophobicContact CG-CB 4.23Å; R689-A693 VanDerWaalsContact O-CB 3.29Å; R689-A693 WeakPolarHBondContact O-CB 3.15Å; R689-A693 PolarHBondContact O-N 3.34Å; A690-A693 PolarHBondContact O-N 2.7Å; W691-A693 PolarHBondContact O-N 2.85Å; A693-V695 PolarHBondContact O-N 2.75Å; A693-N696 PolarHBondContact O-N 2.91Å; A693-C697 WeakPolarHBondContact O-CA 3.26Å; A693-C697 WeakPolarHBondContact O-CB 3.44Å; A693-C697 PolarHBondContact O-N 2.73Å |
| 694 | L | 83.3 | Confident | 80.3 | Confident | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -62.3 | -41.5 | 178.2 | -173.5 | 154.6 | 0 | 0 | 0 | 111.5 | W439 L615 L652 A690 W691 N696 C698 I701 | W439-L694 HydrophobicContact CD2-CD1 4.2Å; W439-L694 HydrophobicContact CE3-CD1 4.34Å; W439-L694 HydrophobicContact CH2-CD1 3.98Å; W439-L694 HydrophobicContact CZ2-CD1 3.8Å; W439-L694 HydrophobicContact CZ3-CD1 4.24Å; L615-L694 HydrophobicContact CD2-CD1 3.76Å; L615-L694 HydrophobicContact CD2-CG 4.2Å; L652-L694 HydrophobicContact CD1-CD1 4.23Å; A690-L694 VanDerWaalsContact O-CB 3.27Å; A690-L694 WeakPolarHBondContact O-CB 3.35Å; A690-L694 PolarHBondContact O-N 3.1Å; W691-L694 HydrophobicContact CE3-CD2 4.05Å; W691-L694 HydrophobicContact CH2-CD2 4.49Å; W691-L694 HydrophobicContact CZ3-CD2 3.77Å; W691-L694 PolarHBondContact O-N 2.86Å; W691-L694 VanDerWaalsContact O-N 3.08Å; L694-N696 PolarHBondContact O-N 2.83Å; L694-C698 WeakPolarHBondContact O-CA 3.41Å; L694-C698 WeakPolarHBondContact O-CB 3.5Å; L694-C698 PolarHBondContact O-N 2.73Å; L694-I701 HydrophobicContact CD2-CD1 3.33Å; L694-I701 HydrophobicContact CG-CD1 4.2Å |
| 695 | V | 79.4 | Confident | 80.1 | Confident | 15 Ų | 15 | 8.9 Ų | 8.9 | 9% | 0.091 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -64.3 | -40.9 | 174.9 | 175.4 | 0 | 0 | 0 | 0 | 111.6 | W691 A693 I702 W753 F761 | W691-V695 HydrophobicContact CD2-CG2 4.11Å; W691-V695 HydrophobicContact CG-CG2 4.49Å; W691-V695 HydrophobicContact CH2-CG2 4.4Å; W691-V695 HydrophobicContact CZ2-CG2 3.79Å; W691-V695 WeakPolarHBondContact O-CG2 3.27Å; W691-V695 PolarHBondContact O-N 2.97Å; A693-V695 PolarHBondContact O-N 2.75Å; V695-I702 HydrophobicContact CG1-CD1 3.74Å; V695-W753 HydrophobicContact CG1-CZ2 4.38Å; V695-F761 HydrophobicContact CG1-CZ 4.27Å; V695-F761 HydrophobicContact CG2-CZ 3.99Å |
| 696 | N | 71.4 | Confident | 79.8 | Confident | 47 Ų | 47 | 8.8 Ų | 8.8 | 25% | 0.251 | 4% | 0.044 | S | C | . | . | H | α-helix | trans | -81.4 | -32.9 | -176.7 | -70.6 | -9.9 | 0 | 0 | 0 | 114 | Q602 Y692 A693 L694 | Q602-N696 PolarHBondContact OE1-ND2 3.2Å; Y692-N696 WeakPolarHBondContact O-CB 3.48Å; Y692-N696 VanDerWaalsContact O-CG 3.23Å; Y692-N696 PolarHBondContact O-N 3.23Å; Y692-N696 VanDerWaalsContact O-N 3.1Å; Y692-N696 PolarHBondContact O-ND2 3.31Å; A693-N696 PolarHBondContact O-N 2.91Å; L694-N696 PolarHBondContact O-N 2.83Å |
| 697 | C | 75 | Confident | 79.4 | Confident | 12 Ų | 12 | 8.4 Ų | 8.4 | 8% | 0.081 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -108.4 | -7.6 | -171.3 | -58.2 | 0 | 0 | 0 | 0 | 113.3 | L604 C612 A693 P699 | L604-C697 WeakPolarHBondContact CD2-SG 3.4Å; C612-C697 HydrophobicContact CB-CB 3.8Å; A693-C697 WeakPolarHBondContact O-CA 3.26Å; A693-C697 WeakPolarHBondContact O-CB 3.44Å; A693-C697 PolarHBondContact O-N 2.73Å; C697-P699 WeakPolarHBondContact O-CD 3.4Å |
| 698 | C | 80.3 | Confident | 79 | Confident | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 4% | 0.042 | C | C | . | . | trans | -111.7 | 66.7 | 167.4 | -52.4 | 0 | 0 | 0 | 0 | 110.9 | C612 N616 L694 S700 I701 | C612-C698 PolarHBondContact O-SG 2.93Å; N616-C698 HydrophobicContact CB-CB 4.17Å; N616-C698 WeakPolarHBondContact OD1-CA 3.35Å; L694-C698 WeakPolarHBondContact O-CA 3.41Å; L694-C698 WeakPolarHBondContact O-CB 3.5Å; L694-C698 PolarHBondContact O-N 2.73Å; C698-S700 PolarHBondContact O-N 3.12Å; C698-I701 HydrophobicContact CB-CD1 3.83Å; C698-I701 HydrophobicContact CB-CG1 4.24Å; C698-I701 PolarHBondContact O-N 3.42Å; C698-I701 VanDerWaalsContact O-N 3.08Å | ||
| 699 | P | 72.4 | Confident | 78.5 | Confident | 10 Ų | 10 | 8.6 Ų | 8.6 | 7% | 0.065 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -53.6 | -27.3 | 179.9 | 21 | -33.2 | 0 | 0 | 0 | 113.3 | F542 L578 N616 C697 I701 I702 A703 | F542-P699 HydrophobicContact CE1-CB 4.43Å; F542-P699 HydrophobicContact CE2-CB 4.45Å; F542-P699 WeakPolarHBondContact CE2-O 3.4Å; F542-P699 HydrophobicContact CZ-CB 3.59Å; L578-P699 HydrophobicContact CD1-CB 3.96Å; L578-P699 HydrophobicContact CD1-CG 4.01Å; L578-P699 HydrophobicContact CD2-CG 4.12Å; N616-P699 WeakPolarHBondContact OD1-CD 3.33Å; C697-P699 WeakPolarHBondContact O-CD 3.4Å; P699-I701 PolarHBondContact O-N 3.34Å; P699-I702 PolarHBondContact O-N 3Å; P699-A703 VanDerWaalsContact O-CB 3.3Å; P699-A703 WeakPolarHBondContact O-CB 3.41Å; P699-A703 PolarHBondContact O-N 2.9Å |
| 700 | S | 78.9 | Confident | 78 | Confident | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -59.7 | -31.2 | 179.7 | -57.2 | 0 | 0 | 0 | 0 | 113.4 | N616 C698 A704 | N616-S700 PolarHBondContact O-OG 3.45Å; N616-S700 WeakPolarHBondContact OD1-CB 3.48Å; N616-S700 PolarHBondContact OD1-N 3.29Å; N616-S700 PolarHBondContact OD1-OG 3.45Å; C698-S700 PolarHBondContact O-N 3.12Å; S700-A704 WeakPolarHBondContact O-CB 3.3Å; S700-A704 PolarHBondContact O-N 2.85Å |
| 701 | I | 82.3 | Confident | 77.5 | Confident | 4 Ų | 4 | 8.4 Ų | 8.4 | 2% | 0.021 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -65.9 | -48.6 | 179.5 | -66.9 | 171.9 | 0 | 0 | 0 | 110.3 | F436 L615 I619 I649 L694 C698 P699 S705 W753 | F436-I701 HydrophobicContact CE1-CD1 4.3Å; F436-I701 HydrophobicContact CZ-CD1 3.98Å; F436-I701 HydrophobicContact CZ-CG1 4.42Å; L615-I701 HydrophobicContact CD2-CD1 4.44Å; I619-I701 HydrophobicContact CD1-CD1 3.93Å; I619-I701 HydrophobicContact CD1-CG1 3.59Å; I649-I701 HydrophobicContact CD1-CG2 4.35Å; L694-I701 HydrophobicContact CD2-CD1 3.33Å; L694-I701 HydrophobicContact CG-CD1 4.2Å; C698-I701 HydrophobicContact CB-CD1 3.83Å; C698-I701 HydrophobicContact CB-CG1 4.24Å; C698-I701 PolarHBondContact O-N 3.42Å; C698-I701 VanDerWaalsContact O-N 3.08Å; P699-I701 PolarHBondContact O-N 3.34Å; I701-S705 WeakPolarHBondContact O-CB 3.48Å; I701-S705 PolarHBondContact O-N 3.31Å; I701-W753 HydrophobicContact CG2-CH2 4.25Å; I701-W753 HydrophobicContact CG2-CZ3 4.26Å |
| 702 | I | 76.8 | Confident | 77 | Confident | 2 Ų | 2 | 9.8 Ų | 9.8 | 1% | 0.01 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -70.7 | -44.7 | -179.6 | -51.4 | -177.2 | 0 | 0 | 0 | 110 | F542 L546 V695 P699 A704 S705 I706 W753 | F542-I702 HydrophobicContact CD2-CG2 4.44Å; F542-I702 HydrophobicContact CE2-CB 4.15Å; F542-I702 HydrophobicContact CE2-CG2 4.32Å; L546-I702 HydrophobicContact CD2-CD1 3.41Å; L546-I702 VanDerWaalsContact CD2-CD1 3.41Å; L546-I702 HydrophobicContact CG-CD1 3.93Å; V695-I702 HydrophobicContact CG1-CD1 3.74Å; P699-I702 PolarHBondContact O-N 3Å; I702-A704 VanDerWaalsContact C-N 3.31Å; I702-A704 PolarHBondContact O-N 2.74Å; I702-S705 WeakPolarHBondContact O-CB 3.36Å; I702-S705 PolarHBondContact O-N 3.15Å; I702-I706 HydrophobicContact CG2-CD1 3.45Å; I702-I706 VanDerWaalsContact CG2-CD1 3.45Å; I702-I706 HydrophobicContact CG2-CG1 4.21Å; I702-I706 WeakPolarHBondContact O-CD1 3.5Å; I702-I706 VanDerWaalsContact O-CG1 3.27Å; I702-I706 WeakPolarHBondContact O-CG1 3.22Å; I702-I706 PolarHBondContact O-N 2.95Å; I702-W753 HydrophobicContact CD1-CH2 4.43Å; I702-W753 HydrophobicContact CD1-CZ2 3.94Å; I702-W753 HydrophobicContact CG1-CH2 3.72Å; I702-W753 HydrophobicContact CG1-CZ2 3.7Å; I702-W753 HydrophobicContact CG1-CZ3 4.2Å; I702-W753 HydrophobicContact CG2-CD2 4.35Å |
| 703 | A | 73.5 | Confident | 76.6 | Confident | 1 Ų | 1 | 9.3 Ų | 9.3 | 1% | 0.008 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -57.6 | -45.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111 | F542 L571 L575 P699 I706 A707 | F542-A703 HydrophobicContact CD2-CB 4Å; F542-A703 HydrophobicContact CE2-CB 3.62Å; F542-A703 HydrophobicContact CZ-CB 4.33Å; L571-A703 HydrophobicContact CD2-CB 4.46Å; L575-A703 HydrophobicContact CD2-CB 3.81Å; P699-A703 VanDerWaalsContact O-CB 3.3Å; P699-A703 WeakPolarHBondContact O-CB 3.41Å; P699-A703 PolarHBondContact O-N 2.9Å; A703-I706 PolarHBondContact O-N 2.84Å; A703-A707 WeakPolarHBondContact O-CB 3.38Å; A703-A707 PolarHBondContact O-N 3.1Å |
| 704 | A | 79.5 | Confident | 76 | Confident | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -64.8 | -41.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I623 V641 L645 S700 I702 A707 A708 | I623-A704 HydrophobicContact CD1-CB 3.28Å; V641-A704 HydrophobicContact CG1-CB 4.32Å; L645-A704 HydrophobicContact CD1-CB 3.54Å; S700-A704 WeakPolarHBondContact O-CB 3.3Å; S700-A704 PolarHBondContact O-N 2.85Å; I702-A704 VanDerWaalsContact C-N 3.31Å; I702-A704 PolarHBondContact O-N 2.74Å; A704-A707 PolarHBondContact O-N 3Å; A704-A708 VanDerWaalsContact O-CB 3.27Å; A704-A708 WeakPolarHBondContact O-CB 3.49Å; A704-A708 PolarHBondContact O-N 2.93Å |
| 705 | S | 80.2 | Confident | 75 | Confident | 3 Ų | 3 | 15.3 Ų | 15.3 | 2% | 0.021 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.8 | -48.8 | 174.6 | 176.5 | 0 | 0 | 0 | 0 | 111.3 | I701 I702 A707 T709 L756 | I701-S705 WeakPolarHBondContact O-CB 3.48Å; I701-S705 PolarHBondContact O-N 3.31Å; I702-S705 WeakPolarHBondContact O-CB 3.36Å; I702-S705 PolarHBondContact O-N 3.15Å; S705-A707 VanDerWaalsContact C-N 3.33Å; S705-T709 WeakPolarHBondContact O-CG2 3.11Å; S705-T709 PolarHBondContact O-N 3.36Å; S705-T709 PolarHBondContact O-OG1 2.9Å; S705-L756 WeakPolarHBondContact OG-CD1 2.94Å |
| 706 | I | 75.1 | Confident | 73.8 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.1 | -38.9 | -179.9 | -64.3 | 156 | 0 | 0 | 0 | 110.9 | F542 L545 I702 A703 T709 G710 W743 L749 | F542-I706 HydrophobicContact CB-CD1 4.49Å; F542-I706 HydrophobicContact CD2-CD1 3.88Å; L545-I706 HydrophobicContact CB-CD1 4.43Å; L545-I706 HydrophobicContact CD1-CD1 3.28Å; L545-I706 HydrophobicContact CD1-CG1 3.62Å; L545-I706 HydrophobicContact CG-CD1 4.45Å; I702-I706 HydrophobicContact CG2-CD1 3.45Å; I702-I706 VanDerWaalsContact CG2-CD1 3.45Å; I702-I706 HydrophobicContact CG2-CG1 4.21Å; I702-I706 WeakPolarHBondContact O-CD1 3.5Å; I702-I706 VanDerWaalsContact O-CG1 3.27Å; I702-I706 WeakPolarHBondContact O-CG1 3.22Å; I702-I706 PolarHBondContact O-N 2.95Å; A703-I706 PolarHBondContact O-N 2.84Å; I706-T709 WeakPolarHBondContact CA-OG1 3.27Å; I706-T709 PolarHBondContact O-OG1 2.95Å; I706-G710 PolarHBondContact O-N 3.34Å; I706-W743 HydrophobicContact CG2-CZ3 4.29Å; I706-L749 HydrophobicContact CG2-CD1 4.15Å; I706-L749 HydrophobicContact CG2-CD2 4.37Å |
| 707 | A | 73.9 | Confident | 72.6 | Confident | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.008 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.1 | -48 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L571 W638 A703 A704 S705 G710 Q711 | L571-A707 HydrophobicContact CD1-CB 3.65Å; L571-A707 HydrophobicContact CD2-CB 3.45Å; L571-A707 VanDerWaalsContact CD2-CB 3.45Å; L571-A707 HydrophobicContact CG-CB 4.1Å; W638-A707 HydrophobicContact CE3-CB 4.22Å; W638-A707 HydrophobicContact CH2-CB 3.59Å; W638-A707 HydrophobicContact CZ2-CB 4.44Å; W638-A707 HydrophobicContact CZ3-CB 3.46Å; W638-A707 VanDerWaalsContact CZ3-CB 3.46Å; A703-A707 WeakPolarHBondContact O-CB 3.38Å; A703-A707 PolarHBondContact O-N 3.1Å; A704-A707 PolarHBondContact O-N 3Å; S705-A707 VanDerWaalsContact C-N 3.33Å; A707-G710 PolarHBondContact O-N 2.81Å; A707-Q711 WeakPolarHBondContact O-CB 3.17Å; A707-Q711 VanDerWaalsContact O-CG 3.23Å; A707-Q711 WeakPolarHBondContact O-CG 3.31Å; A707-Q711 PolarHBondContact O-N 3.49Å |
| 708 | A | 78.2 | Confident | 71 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.6 | -44.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | W638 F642 A704 Q711 I712 | W638-A708 HydrophobicContact CB-CB 4.42Å; W638-A708 HydrophobicContact CE3-CB 3.84Å; W638-A708 WeakPolarHBondContact O-CB 3.28Å; F642-A708 HydrophobicContact CB-CB 3.86Å; F642-A708 HydrophobicContact CD2-CB 4.17Å; A704-A708 VanDerWaalsContact O-CB 3.27Å; A704-A708 WeakPolarHBondContact O-CB 3.49Å; A704-A708 PolarHBondContact O-N 2.93Å; A708-Q711 PolarHBondContact O-N 3.33Å; A708-I712 HydrophobicContact CB-CD1 4.45Å; A708-I712 WeakPolarHBondContact O-CB 3.32Å; A708-I712 VanDerWaalsContact O-CD1 3.27Å; A708-I712 WeakPolarHBondContact O-CD1 3.24Å; A708-I712 WeakPolarHBondContact O-CG1 3.33Å; A708-I712 PolarHBondContact O-N 2.98Å |
| 709 | T | 75.4 | Confident | 69 | Low | 7 Ų | 7 | 35.2 Ų | 35.2 | 4% | 0.043 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.9 | -44.1 | 178.8 | 55.2 | 0 | 0 | 0 | 0 | 112.1 | F642 S705 I706 Q711 I712 E713 L749 K752 | F642-T709 HydrophobicContact CD2-CG2 3.78Å; F642-T709 HydrophobicContact CE2-CG2 3.4Å; F642-T709 HydrophobicContact CZ-CG2 4.35Å; S705-T709 WeakPolarHBondContact O-CG2 3.11Å; S705-T709 PolarHBondContact O-N 3.36Å; S705-T709 PolarHBondContact O-OG1 2.9Å; I706-T709 WeakPolarHBondContact CA-OG1 3.27Å; I706-T709 PolarHBondContact O-OG1 2.95Å; T709-Q711 VanDerWaalsContact C-N 3.29Å; T709-Q711 PolarHBondContact O-N 3.19Å; T709-I712 PolarHBondContact O-N 3.32Å; T709-E713 VanDerWaalsContact O-CB 3.29Å; T709-E713 WeakPolarHBondContact O-CB 3.42Å; T709-E713 VanDerWaalsContact O-CG 3.23Å; T709-E713 WeakPolarHBondContact O-CG 3.33Å; T709-E713 PolarHBondContact O-N 3.19Å; T709-L749 WeakPolarHBondContact OG1-CD2 3.14Å; T709-K752 HydrophobicContact CG2-CB 4.07Å; T709-K752 HydrophobicContact CG2-CG 3.39Å |
| 710 | G | 70.2 | Confident | 67.3 | Low | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.5 | -39.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I706 A707 S714 | I706-G710 PolarHBondContact O-N 3.34Å; A707-G710 PolarHBondContact O-N 2.81Å; G710-S714 VanDerWaalsContact O-CB 3.28Å; G710-S714 WeakPolarHBondContact O-CB 3.31Å; G710-S714 PolarHBondContact O-N 2.78Å; G710-S714 VanDerWaalsContact O-N 3.15Å; G710-S714 PolarHBondContact O-OG 3.26Å |
| 711 | Q | 74.5 | Confident | 65.1 | Low | 13 Ų | 13 | 45.7 Ų | 45.7 | 6% | 0.061 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -75.6 | -45.2 | 179.7 | -69.4 | -70.7 | -26.5 | 0 | 0 | 112.7 | S567 W638 A707 A708 T709 E713 S714 W743 | S567-Q711 PolarHBondContact OG-NE2 2.86Å; W638-Q711 HydrophobicContact CB-CB 4.06Å; W638-Q711 HydrophobicContact CD2-CB 4.3Å; W638-Q711 HydrophobicContact CD2-CG 4.17Å; W638-Q711 HydrophobicContact CG-CB 3.71Å; W638-Q711 HydrophobicContact CG-CG 4.01Å; A707-Q711 WeakPolarHBondContact O-CB 3.17Å; A707-Q711 VanDerWaalsContact O-CG 3.23Å; A707-Q711 WeakPolarHBondContact O-CG 3.31Å; A707-Q711 PolarHBondContact O-N 3.49Å; A708-Q711 PolarHBondContact O-N 3.33Å; T709-Q711 VanDerWaalsContact C-N 3.29Å; T709-Q711 PolarHBondContact O-N 3.19Å; Q711-E713 PolarHBondContact O-N 2.99Å; Q711-S714 PolarHBondContact O-N 3.45Å; Q711-S714 PolarHBondContact O-OG 2.97Å; Q711-W743 HydrophobicContact CG-CZ2 4.29Å |
| 712 | I | 73.9 | Confident | 63.1 | Low | 33 Ų | 33 | 52.2 Ų | 52.2 | 17% | 0.169 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.7 | -47.3 | 178.8 | -69.8 | 163.8 | 0 | 0 | 0 | 110.7 | F635 W638 F642 A708 T709 I715 H716 | F635-I712 HydrophobicContact CE2-CB 4.33Å; F635-I712 HydrophobicContact CE2-CG1 4.48Å; F635-I712 HydrophobicContact CE2-CG2 3.8Å; F635-I712 HydrophobicContact CZ-CG2 4.49Å; W638-I712 HydrophobicContact CB-CG1 4.37Å; F642-I712 HydrophobicContact CB-CD1 4.02Å; F642-I712 HydrophobicContact CG-CD1 4.37Å; A708-I712 HydrophobicContact CB-CD1 4.45Å; A708-I712 WeakPolarHBondContact O-CB 3.32Å; A708-I712 VanDerWaalsContact O-CD1 3.27Å; A708-I712 WeakPolarHBondContact O-CD1 3.24Å; A708-I712 WeakPolarHBondContact O-CG1 3.33Å; A708-I712 PolarHBondContact O-N 2.98Å; T709-I712 PolarHBondContact O-N 3.32Å; I712-I715 PolarHBondContact O-N 3.37Å; I712-H716 PolarHBondContact O-N 2.92Å |
| 713 | E | 73.9 | Confident | 61.1 | Low | 44 Ų | 44 | 60.2 Ų | 60.2 | 21% | 0.206 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -74.5 | -26.2 | -177.9 | -65.8 | -71.8 | 161.9 | 0 | 0 | 112.4 | T709 Q711 I715 H716 V742 L748 | T709-E713 VanDerWaalsContact O-CB 3.29Å; T709-E713 WeakPolarHBondContact O-CB 3.42Å; T709-E713 VanDerWaalsContact O-CG 3.23Å; T709-E713 WeakPolarHBondContact O-CG 3.33Å; T709-E713 PolarHBondContact O-N 3.19Å; Q711-E713 PolarHBondContact O-N 2.99Å; E713-I715 PolarHBondContact O-N 3.41Å; E713-H716 CarbonylContact O-C 3.57Å; E713-H716 PolarHBondContact O-N 3.22Å; E713-H716 VanDerWaalsContact O-O 3.06Å; E713-V742 HydrophobicContact CB-CG1 3.69Å; E713-V742 HydrophobicContact CB-CG2 4.38Å; E713-L748 HydrophobicContact CB-CD2 4.48Å; E713-L748 HydrophobicContact CG-CD2 4.14Å |
| 714 | S | 67.1 | Low | 59.2 | Low | 54 Ų | 54 | 67 Ų | 67 | 38% | 0.378 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.1 | -26.5 | 175.7 | 70.3 | 0 | 0 | 0 | 0 | 113.5 | G710 Q711 | G710-S714 VanDerWaalsContact O-CB 3.28Å; G710-S714 WeakPolarHBondContact O-CB 3.31Å; G710-S714 PolarHBondContact O-N 2.78Å; G710-S714 VanDerWaalsContact O-N 3.15Å; G710-S714 PolarHBondContact O-OG 3.26Å; Q711-S714 PolarHBondContact O-N 3.45Å; Q711-S714 PolarHBondContact O-OG 2.97Å |
| 715 | I | 64 | Low | 57 | Low | 75 Ų | 75 | 72 Ų | 72 | 39% | 0.385 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -91.3 | -29.8 | -177.6 | -62.9 | 170.6 | 0 | 0 | 0 | 110.8 | F635 I712 E713 P717 | F635-I715 HydrophobicContact CB-CD1 3.72Å; F635-I715 HydrophobicContact CD2-CB 4.32Å; F635-I715 HydrophobicContact CD2-CD1 4.14Å; F635-I715 HydrophobicContact CD2-CG2 4.4Å; F635-I715 HydrophobicContact CG-CD1 4.42Å; I712-I715 PolarHBondContact O-N 3.37Å; E713-I715 PolarHBondContact O-N 3.41Å; I715-P717 WeakPolarHBondContact O-CD 3.26Å |
| 716 | H | 53.8 | Low | 54.9 | Low | 113 Ų | 113 | 79.7 Ų | 79.7 | 52% | 0.523 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -113.4 | 84.4 | 172.6 | -74.9 | -67.3 | 0 | 0 | 0 | 109.9 | F635 I712 E713 V718 | F635-H716 AromaticContact CE2-CD2 3.61Å; F635-H716 AromaticContact CZ-CD2 3.93Å; I712-H716 PolarHBondContact O-N 2.92Å; E713-H716 CarbonylContact O-C 3.57Å; E713-H716 PolarHBondContact O-N 3.22Å; E713-H716 VanDerWaalsContact O-O 3.06Å; H716-V718 PolarHBondContact O-N 2.95Å |
| 717 | P | 46.1 | Very low | 53 | Low | 96 Ų | 96 | 90.6 Ų | 90.6 | 62% | 0.623 | 47% | 0.474 | S | S | * | . | trans | -60.2 | 108.5 | 164.1 | 26 | -30.7 | 0 | 0 | 0 | 106.5 | I715 H719 | I715-P717 WeakPolarHBondContact O-CD 3.26Å; P717-H719 VanDerWaalsContact C-N 3.34Å; P717-H719 PolarHBondContact O-N 2.89Å | ||
| 718 | V | 41.9 | Very low | 51.1 | Low | 110 Ų | 110 | 98.8 Ų | 98.8 | 67% | 0.667 | 52% | 0.516 | S | S | * | . | trans | -52.4 | 106.1 | 168.7 | 175.9 | 0 | 0 | 0 | 0 | 105.7 | H716 S720 | H716-V718 PolarHBondContact O-N 2.95Å; V718-S720 PolarHBondContact O-N 2.6Å | ||
| 719 | H | 36.5 | Very low | 48.9 | Very low | 172 Ų | 172 | 104.3 Ų | 104.3 | 80% | 0.796 | 55% | 0.55 | S | S | * | . | trans | -58.3 | 92.9 | 165.6 | -90.2 | -71.2 | 0 | 0 | 0 | 105.4 | P717 D721 | P717-H719 VanDerWaalsContact C-N 3.34Å; P717-H719 PolarHBondContact O-N 2.89Å; H719-D721 PolarHBondContact O-N 3.15Å | ||
| 720 | S | 37 | Very low | 46.8 | Very low | 84 Ų | 84 | 112.5 Ų | 112.5 | 59% | 0.587 | 59% | 0.587 | S | S | * | * | trans | -58.2 | 107 | 167.6 | 53.6 | 0 | 0 | 0 | 0 | 105.8 | V718 I722 | V718-S720 PolarHBondContact O-N 2.6Å; S720-I722 PolarHBondContact O-N 3.06Å | ||
| 721 | D | 33.5 | Very low | 45.1 | Very low | 146 Ų | 146 | 118.2 Ų | 118.2 | 78% | 0.781 | 63% | 0.627 | S | S | * | * | trans | -57.2 | 80.1 | 171 | -83.7 | -43.7 | 0 | 0 | 0 | 109.4 | H719 K723 | H719-D721 PolarHBondContact O-N 3.15Å; D721-K723 PolarHBondContact O-N 3.44Å | ||
| 722 | I | 39.9 | Very low | 42.9 | Very low | 141 Ų | 141 | 126.3 Ų | 126.3 | 72% | 0.723 | 67% | 0.667 | S | S | * | * | trans | -92.1 | 63.9 | 163.2 | -53.2 | 176.5 | 0 | 0 | 0 | 106 | S720 N724 | S720-I722 PolarHBondContact O-N 3.06Å; I722-N724 VanDerWaalsContact C-N 3.3Å; I722-N724 PolarHBondContact O-N 3.24Å | ||
| 723 | K | 34.9 | Very low | 40.7 | Very low | 171 Ų | 171 | 132.1 Ų | 132.1 | 74% | 0.743 | 70% | 0.699 | S | S | * | * | trans | -73.7 | 97.4 | 149.7 | -76.8 | -179.5 | 180 | 172.9 | 0 | 105.2 | D721 | D721-K723 PolarHBondContact O-N 3.44Š| ||
| 724 | N | 33.7 | Very low | 38.5 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 77% | 0.765 | 72% | 0.721 | S | S | * | * | trans | 153.4 | 93.3 | 149.5 | -75.9 | -17.3 | 0 | 0 | 0 | 110.1 | I722 | I722-N724 VanDerWaalsContact C-N 3.3Å; I722-N724 PolarHBondContact O-N 3.24Å | ||
| 725 | S | 32.9 | Very low | 36.7 | Very low | 106 Ų | 106 | 139 Ų | 139 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | 174 | 107.9 | 116.9 | 58 | 0 | 0 | 0 | 0 | 108.9 | R727 | S725-R727 PolarHBondContact O-N 3.4Š| |||
| 726 | D | 37.2 | Very low | 35 | Very low | 164 Ų | 164 | 142.6 Ų | 142.6 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | trans | -51.3 | 101.9 | 155.2 | -74.8 | -39.7 | 0 | 0 | 0 | 108.6 | ||||
| 727 | R | 34.5 | Very low | 34 | Very low | 230 Ų | 230 | 142.5 Ų | 142.5 | 87% | 0.868 | 77% | 0.774 | S | S | * | * | trans | 172.1 | 97.7 | 156.1 | -95.5 | 155.2 | -164.5 | -147 | 6.3 | 109.1 | S725 | S725-R727 PolarHBondContact O-N 3.4Š| ||
| 728 | L | 33.5 | Very low | 33.2 | Very low | 172 Ų | 172 | 146 Ų | 146 | 90% | 0.901 | 78% | 0.784 | S | S | * | * | 168.2 | 79.6 | 128.7 | -87.6 | 161.1 | 0 | 0 | 0 | 107.4 | |||||
| 729 | V | 33.5 | Very low | 32.8 | Very low | 117 Ų | 117 | 149.8 Ų | 149.8 | 71% | 0.709 | 80% | 0.795 | S | S | * | * | trans | -64.3 | 138.5 | 161.3 | -176.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 730 | H | 31.1 | Very low | 32.9 | Very low | 179 Ų | 179 | 143.5 Ų | 143.5 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | trans | 98.7 | 71 | 172.6 | -50.3 | -64.1 | 0 | 0 | 0 | 117.7 | ||||
| 731 | S | 33.2 | Very low | 33.5 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | -154.8 | 87.8 | 129 | 64.9 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 732 | M | 28.5 | Very low | 34.6 | Very low | 182 Ų | 182 | 136.8 Ų | 136.8 | 90% | 0.897 | 74% | 0.735 | S | S | * | * | trans | -72.8 | 117.6 | 161 | -81.6 | -77.4 | -169.6 | 0 | 0 | 106.8 | ||||
| 733 | D | 29.1 | Very low | 35.4 | Very low | 156 Ų | 156 | 131.3 Ų | 131.3 | 83% | 0.834 | 71% | 0.705 | S | S | * | * | trans | -174.5 | 128 | 137.6 | -90.3 | -21.7 | 0 | 0 | 0 | 111.5 | ||||
| 734 | S | 27.8 | Very low | 36.4 | Very low | 97 Ų | 97 | 129.1 Ų | 129.1 | 68% | 0.678 | 70% | 0.696 | S | S | * | * | trans | 64.4 | 87.5 | 158.6 | 61 | 0 | 0 | 0 | 0 | 119.5 | L736 | S734-L736 PolarHBondContact O-N 3.31Š| ||
| 735 | T | 27.6 | Very low | 37.9 | Very low | 145 Ų | 145 | 125.8 Ų | 125.8 | 89% | 0.89 | 68% | 0.678 | S | S | * | * | -0.6 | 95.6 | 126 | 44.1 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 736 | L | 29.6 | Very low | 39.5 | Very low | 150 Ų | 150 | 124.3 Ų | 124.3 | 79% | 0.785 | 66% | 0.661 | S | S | * | * | trans | -137.4 | 116.6 | 149.1 | -88.4 | 153.7 | 0 | 0 | 0 | 106.8 | S734 M738 | S734-L736 PolarHBondContact O-N 3.31Å; L736-M738 PolarHBondContact O-N 3.2Å | ||
| 737 | P | 31.7 | Very low | 41 | Very low | 112 Ų | 112 | 120 Ų | 120 | 73% | 0.727 | 64% | 0.644 | S | S | * | * | trans | -68.4 | 107.1 | 178.8 | 29 | -29.5 | 0 | 0 | 0 | 107.2 | E739 | P737-E739 PolarHBondContact O-N 2.89Š| ||
| 738 | M | 29.3 | Very low | 42.8 | Very low | 169 Ų | 169 | 112 Ų | 112 | 83% | 0.833 | 62% | 0.617 | S | S | * | * | trans | -68.2 | 76 | 172.3 | -102 | -73.1 | -160.1 | 0 | 0 | 108.9 | L736 G740 | L736-M738 PolarHBondContact O-N 3.2Å; M738-G740 PolarHBondContact O-N 2.96Å; M738-G740 VanDerWaalsContact O-N 3.1Å | ||
| 739 | E | 33.8 | Very low | 44.5 | Very low | 190 Ų | 190 | 103.8 Ų | 103.8 | 89% | 0.888 | 58% | 0.575 | S | S | * | * | trans | -71.1 | 15.2 | 161.4 | -72.2 | -175.1 | 158.2 | 0 | 0 | 111.6 | P737 L741 | P737-E739 PolarHBondContact O-N 2.89Å; E739-L741 PolarHBondContact O-N 3.48Å | ||
| 740 | G | 38 | Very low | 46.3 | Very low | 40 Ų | 40 | 102.6 Ų | 102.6 | 41% | 0.412 | 56% | 0.557 | S | S | . | * | trans | -91.4 | 105.2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | M738 | M738-G740 PolarHBondContact O-N 2.96Å; M738-G740 VanDerWaalsContact O-N 3.1Å | ||
| 741 | L | 50.4 | Low | 48.4 | Very low | 54 Ų | 54 | 97.7 Ų | 97.7 | 28% | 0.283 | 54% | 0.542 | S | S | . | . | trans | 89.1 | 63.6 | 138.5 | -58.9 | 124.6 | 0 | 0 | 0 | 118.9 | E739 W743 K744 | E739-L741 PolarHBondContact O-N 3.48Å; L741-W743 PolarHBondContact O-N 2.9Å; L741-W743 VanDerWaalsContact O-N 3.16Å; L741-K744 HydrophobicContact CB-CB 4.2Å; L741-K744 HydrophobicContact CB-CD 3.77Å; L741-K744 HydrophobicContact CB-CG 3.79Å; L741-K744 HydrophobicContact CD1-CD 4.07Å; L741-K744 HydrophobicContact CD2-CD 4.23Å; L741-K744 HydrophobicContact CD2-CG 4.12Å; L741-K744 HydrophobicContact CG-CD 4.24Å; L741-K744 HydrophobicContact CG-CG 4.45Å; L741-K744 WeakPolarHBondContact O-CB 3.25Å; L741-K744 PolarHBondContact O-N 2.91Å | ||
| 742 | V | 56.7 | Low | 50.5 | Low | 34 Ų | 34 | 95.9 Ų | 95.9 | 21% | 0.206 | 52% | 0.519 | C | S | . | . | G | 310 helix | trans | -51.9 | -32 | 157.9 | 177.4 | 0 | 0 | 0 | 0 | 112.2 | E713 K744 N745 L748 | E713-V742 HydrophobicContact CB-CG1 3.69Å; E713-V742 HydrophobicContact CB-CG2 4.38Å; V742-K744 PolarHBondContact O-N 3.39Å; V742-K744 VanDerWaalsContact O-N 3.09Å; V742-N745 WeakPolarHBondContact O-CB 3.49Å; V742-N745 PolarHBondContact O-N 3.32Å; V742-L748 HydrophobicContact CG1-CD2 4.1Å |
| 743 | W | 56.7 | Low | 53.1 | Low | 27 Ų | 27 | 88.1 Ų | 88.1 | 10% | 0.102 | 48% | 0.48 | C | S | . | . | G | 310 helix | trans | -56.8 | -23.2 | 174.1 | -61 | 100.6 | 0 | 0 | 0 | 114.4 | V537 L571 I706 Q711 L741 L749 | V537-W743 HydrophobicContact CG1-CB 4.35Å; V537-W743 VanDerWaalsContact CG1-O 3.27Å; V537-W743 WeakPolarHBondContact CG1-O 3.28Å; L571-W743 HydrophobicContact CD1-CH2 4.05Å; L571-W743 HydrophobicContact CD1-CZ3 3.99Å; I706-W743 HydrophobicContact CG2-CZ3 4.29Å; Q711-W743 HydrophobicContact CG-CZ2 4.29Å; L741-W743 PolarHBondContact O-N 2.9Å; L741-W743 VanDerWaalsContact O-N 3.16Å; W743-L749 HydrophobicContact CE3-CD1 4.44Å |
| 744 | K | 55.6 | Low | 55.6 | Low | 125 Ų | 125 | 85 Ų | 85 | 54% | 0.543 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -76.9 | -21.4 | 174.2 | -76.2 | 177.7 | 176.8 | 178.2 | 0 | 112.8 | L741 V742 I746 | L741-K744 HydrophobicContact CB-CB 4.2Å; L741-K744 HydrophobicContact CB-CD 3.77Å; L741-K744 HydrophobicContact CB-CG 3.79Å; L741-K744 HydrophobicContact CD1-CD 4.07Å; L741-K744 HydrophobicContact CD2-CD 4.23Å; L741-K744 HydrophobicContact CD2-CG 4.12Å; L741-K744 HydrophobicContact CG-CD 4.24Å; L741-K744 HydrophobicContact CG-CG 4.45Å; L741-K744 WeakPolarHBondContact O-CB 3.25Å; L741-K744 PolarHBondContact O-N 2.91Å; V742-K744 PolarHBondContact O-N 3.39Å; V742-K744 VanDerWaalsContact O-N 3.09Å; K744-I746 PolarHBondContact O-N 2.88Å |
| 745 | N | 66.2 | Low | 58.2 | Low | 73 Ų | 73 | 84 Ų | 84 | 39% | 0.39 | 45% | 0.454 | S | S | . | . | trans | -82.5 | 69.9 | 179.9 | -162.6 | -16.4 | 0 | 0 | 0 | 110.8 | V742 S747 L748 L749 | V742-N745 WeakPolarHBondContact O-CB 3.49Å; V742-N745 PolarHBondContact O-N 3.32Å; N745-S747 PolarHBondContact O-N 3.47Å; N745-S747 PolarHBondContact OD1-OG 3.38Å; N745-L748 HydrophobicContact CB-CB 4.1Å; N745-L748 WeakPolarHBondContact O-CB 3.43Å; N745-L748 PolarHBondContact O-N 3.45Å; N745-L748 PolarHBondContact OD1-N 2.97Å; N745-L749 PolarHBondContact O-N 2.81Å | ||
| 746 | I | 65.5 | Low | 60.8 | Low | 74 Ų | 74 | 77.9 Ų | 77.9 | 38% | 0.379 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -53 | -37.2 | 178.6 | -63.3 | 171.2 | 0 | 0 | 0 | 110.9 | V541 K744 L748 L749 R750 | V541-I746 HydrophobicContact CG1-CG1 4.45Å; V541-I746 HydrophobicContact CG1-CG2 4.39Å; V541-I746 HydrophobicContact CG2-CD1 4.31Å; V541-I746 HydrophobicContact CG2-CG1 3.67Å; K744-I746 PolarHBondContact O-N 2.88Å; I746-L748 PolarHBondContact O-N 3.38Å; I746-L749 PolarHBondContact O-N 2.98Å; I746-R750 VanDerWaalsContact O-CB 3.26Å; I746-R750 WeakPolarHBondContact O-CB 3.45Å; I746-R750 PolarHBondContact O-N 2.77Å |
| 747 | S | 69.2 | Low | 63.4 | Low | 75 Ų | 75 | 71 Ų | 71 | 52% | 0.524 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 176 | 29.8 | 0 | 0 | 0 | 0 | 112.7 | N745 R750 C751 | N745-S747 PolarHBondContact O-N 3.47Å; N745-S747 PolarHBondContact OD1-OG 3.38Å; S747-R750 PolarHBondContact O-N 3.2Å; S747-C751 WeakPolarHBondContact O-CB 3.31Å; S747-C751 PolarHBondContact O-N 3.24Å; S747-C751 PolarHBondContact O-SG 2.86Å |
| 748 | L | 71.4 | Confident | 65.9 | Low | 60 Ų | 60 | 71.4 Ų | 71.4 | 31% | 0.314 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.5 | -48.2 | 179.2 | -178.2 | 70.7 | 0 | 0 | 0 | 111.5 | E713 V742 N745 I746 R750 C751 K752 | E713-L748 HydrophobicContact CB-CD2 4.48Å; E713-L748 HydrophobicContact CG-CD2 4.14Å; V742-L748 HydrophobicContact CG1-CD2 4.1Å; N745-L748 HydrophobicContact CB-CB 4.1Å; N745-L748 WeakPolarHBondContact O-CB 3.43Å; N745-L748 PolarHBondContact O-N 3.45Å; N745-L748 PolarHBondContact OD1-N 2.97Å; I746-L748 PolarHBondContact O-N 3.38Å; L748-R750 VanDerWaalsContact C-N 3.3Å; L748-R750 PolarHBondContact O-N 2.94Å; L748-C751 PolarHBondContact O-N 3.41Å; L748-K752 PolarHBondContact O-N 2.77Å |
| 749 | L | 69.6 | Low | 68.5 | Low | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 179.5 | -64.7 | 172.6 | 0 | 0 | 0 | 111.2 | V541 I706 T709 W743 N745 I746 K752 W753 | V541-L749 HydrophobicContact CG1-CB 4.32Å; V541-L749 HydrophobicContact CG1-CD1 3.84Å; V541-L749 HydrophobicContact CG2-CD1 4.45Å; I706-L749 HydrophobicContact CG2-CD1 4.15Å; I706-L749 HydrophobicContact CG2-CD2 4.37Å; T709-L749 WeakPolarHBondContact OG1-CD2 3.14Å; W743-L749 HydrophobicContact CE3-CD1 4.44Å; N745-L749 PolarHBondContact O-N 2.81Å; I746-L749 PolarHBondContact O-N 2.98Å; L749-K752 PolarHBondContact O-N 3.41Å; L749-W753 PolarHBondContact O-N 3.43Å |
| 750 | R | 71.5 | Confident | 71 | Confident | 92 Ų | 92 | 56.9 Ų | 56.9 | 35% | 0.347 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.7 | -52.4 | 173.3 | -178.1 | 175.6 | -91.1 | -152.2 | -5.4 | 111.6 | L545 I746 S747 L748 K752 W753 E754 | L545-R750 HydrophobicContact CD2-CB 3.67Å; L545-R750 HydrophobicContact CD2-CG 3.76Å; I746-R750 VanDerWaalsContact O-CB 3.26Å; I746-R750 WeakPolarHBondContact O-CB 3.45Å; I746-R750 PolarHBondContact O-N 2.77Å; S747-R750 PolarHBondContact O-N 3.2Å; L748-R750 VanDerWaalsContact C-N 3.3Å; L748-R750 PolarHBondContact O-N 2.94Å; R750-K752 PolarHBondContact O-N 3.35Å; R750-W753 PolarHBondContact O-N 2.89Å; R750-E754 VanDerWaalsContact CD-OE1 3.27Å; R750-E754 WeakPolarHBondContact CD-OE1 3.36Å; R750-E754 HydrophobicContact CG-CG 4.12Å; R750-E754 WeakPolarHBondContact CG-OE1 3.09Å; R750-E754 WeakPolarHBondContact O-CB 3.4Å; R750-E754 WeakPolarHBondContact O-CG 3.26Å; R750-E754 PolarHBondContact O-N 3.15Å |
| 751 | C | 75.6 | Confident | 73.3 | Confident | 76 Ų | 76 | 57.1 Ų | 57.1 | 51% | 0.514 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -56.2 | -36.6 | 179.1 | -73.8 | 0 | 0 | 0 | 0 | 111.9 | S747 L748 S755 | S747-C751 WeakPolarHBondContact O-CB 3.31Å; S747-C751 PolarHBondContact O-N 3.24Å; S747-C751 PolarHBondContact O-SG 2.86Å; L748-C751 PolarHBondContact O-N 3.41Å; C751-S755 VanDerWaalsContact O-CB 3.31Å; C751-S755 WeakPolarHBondContact O-CB 2.88Å; C751-S755 PolarHBondContact O-N 3.29Å; C751-S755 PolarHBondContact O-OG 3.09Å |
| 752 | K | 77.2 | Confident | 74.9 | Confident | 82 Ų | 82 | 58.5 Ų | 58.5 | 36% | 0.357 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -73.2 | -42.3 | 179.8 | -161.1 | 61.6 | 168.4 | -171 | 0 | 112.5 | F642 T709 L748 L749 R750 S755 L756 | F642-K752 HydrophobicContact CE2-CG 4.26Å; F642-K752 HydrophobicContact CZ-CD 4.37Å; F642-K752 HydrophobicContact CZ-CG 4.24Å; T709-K752 HydrophobicContact CG2-CB 4.07Å; T709-K752 HydrophobicContact CG2-CG 3.39Å; L748-K752 PolarHBondContact O-N 2.77Å; L749-K752 PolarHBondContact O-N 3.41Å; R750-K752 PolarHBondContact O-N 3.35Å; K752-S755 WeakPolarHBondContact CA-OG 3.44Å; K752-S755 PolarHBondContact O-N 2.83Å; K752-S755 PolarHBondContact O-OG 3.29Å; K752-L756 PolarHBondContact O-N 3.22Å; K752-L756 VanDerWaalsContact O-N 3.13Å |
| 753 | W | 82.9 | Confident | 76.2 | Confident | 19 Ų | 19 | 57 Ų | 57 | 7% | 0.072 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 171.2 | 170.4 | -110.6 | 0 | 0 | 0 | 112 | V695 I701 I702 L749 R750 S755 L756 S757 | V695-W753 HydrophobicContact CG1-CZ2 4.38Å; I701-W753 HydrophobicContact CG2-CH2 4.25Å; I701-W753 HydrophobicContact CG2-CZ3 4.26Å; I702-W753 HydrophobicContact CD1-CH2 4.43Å; I702-W753 HydrophobicContact CD1-CZ2 3.94Å; I702-W753 HydrophobicContact CG1-CH2 3.72Å; I702-W753 HydrophobicContact CG1-CZ2 3.7Å; I702-W753 HydrophobicContact CG1-CZ3 4.2Å; I702-W753 HydrophobicContact CG2-CD2 4.35Å; L749-W753 PolarHBondContact O-N 3.43Å; R750-W753 PolarHBondContact O-N 2.89Å; W753-S755 VanDerWaalsContact C-N 3.32Å; W753-S755 PolarHBondContact O-N 3.48Å; W753-L756 PolarHBondContact O-N 2.98Å; W753-S757 WeakPolarHBondContact O-CB 3.02Å; W753-S757 PolarHBondContact O-N 3.45Å; W753-S757 PolarHBondContact O-OG 3.23Å |
| 754 | E | 81.3 | Confident | 77.7 | Confident | 89 Ų | 89 | 55.7 Ų | 55.7 | 42% | 0.416 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.5 | -45.9 | 174.2 | -74.5 | 174.5 | -179.4 | 0 | 0 | 109.7 | R750 L756 S757 H758 | R750-E754 VanDerWaalsContact CD-OE1 3.27Å; R750-E754 WeakPolarHBondContact CD-OE1 3.36Å; R750-E754 HydrophobicContact CG-CG 4.12Å; R750-E754 WeakPolarHBondContact CG-OE1 3.09Å; R750-E754 WeakPolarHBondContact O-CB 3.4Å; R750-E754 WeakPolarHBondContact O-CG 3.26Å; R750-E754 PolarHBondContact O-N 3.15Å; E754-L756 VanDerWaalsContact C-N 3.26Å; E754-L756 PolarHBondContact O-N 3.27Å; E754-S757 PolarHBondContact O-N 3.32Å; E754-H758 WeakPolarHBondContact O-CA 3.45Å; E754-H758 WeakPolarHBondContact O-CB 3.38Å; E754-H758 PolarHBondContact O-N 3.5Å |
| 755 | S | 81.6 | Confident | 79.1 | Confident | 77 Ų | 77 | 50.9 Ų | 50.9 | 54% | 0.538 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.8 | -31.3 | 177.6 | 75.8 | 0 | 0 | 0 | 0 | 114.3 | C751 K752 W753 | C751-S755 VanDerWaalsContact O-CB 3.31Å; C751-S755 WeakPolarHBondContact O-CB 2.88Å; C751-S755 PolarHBondContact O-N 3.29Å; C751-S755 PolarHBondContact O-OG 3.09Å; K752-S755 WeakPolarHBondContact CA-OG 3.44Å; K752-S755 PolarHBondContact O-N 2.83Å; K752-S755 PolarHBondContact O-OG 3.29Å; W753-S755 VanDerWaalsContact C-N 3.32Å; W753-S755 PolarHBondContact O-N 3.48Å |
| 756 | L | 82.2 | Confident | 80.1 | Confident | 17 Ų | 17 | 48.4 Ų | 48.4 | 9% | 0.089 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -79.2 | -35.1 | 176.9 | -76.7 | 177 | 0 | 0 | 0 | 112.9 | F642 Q646 S705 K752 W753 E754 | F642-L756 HydrophobicContact CD2-CD1 4.42Å; F642-L756 HydrophobicContact CE1-CD2 4.38Å; F642-L756 HydrophobicContact CE2-CD1 3.47Å; F642-L756 VanDerWaalsContact CE2-CD1 3.47Å; F642-L756 HydrophobicContact CE2-CG 4.31Å; F642-L756 HydrophobicContact CZ-CD1 3.61Å; F642-L756 HydrophobicContact CZ-CD2 3.87Å; F642-L756 HydrophobicContact CZ-CG 3.96Å; Q646-L756 HydrophobicContact CB-CD2 3.96Å; Q646-L756 HydrophobicContact CG-CD2 3.67Å; S705-L756 WeakPolarHBondContact OG-CD1 2.94Å; K752-L756 PolarHBondContact O-N 3.22Å; K752-L756 VanDerWaalsContact O-N 3.13Å; W753-L756 PolarHBondContact O-N 2.98Å; E754-L756 VanDerWaalsContact C-N 3.26Å; E754-L756 PolarHBondContact O-N 3.27Å |
| 757 | S | 85.8 | Confident | 81.1 | Confident | 5 Ų | 5 | 44.9 Ų | 44.9 | 4% | 0.035 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -100.6 | -17.3 | -171.2 | 60.9 | 0 | 0 | 0 | 0 | 114.1 | W753 E754 S759 L760 F761 | W753-S757 WeakPolarHBondContact O-CB 3.02Å; W753-S757 PolarHBondContact O-N 3.45Å; W753-S757 PolarHBondContact O-OG 3.23Å; E754-S757 PolarHBondContact O-N 3.32Å; S757-S759 PolarHBondContact O-N 2.91Å; S757-L760 PolarHBondContact O-N 3.44Å; S757-F761 VanDerWaalsContact O-CD2 3.25Å; S757-F761 WeakPolarHBondContact O-CD2 3.39Å; S757-F761 PolarHBondContact O-N 2.8Å |
| 758 | H | 83.9 | Confident | 81.8 | Confident | 120 Ų | 120 | 41.9 Ų | 41.9 | 56% | 0.556 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -58.4 | -48.1 | -172.4 | -172 | 71.7 | 0 | 0 | 0 | 112.9 | E754 L760 F761 E762 | E754-H758 WeakPolarHBondContact O-CA 3.45Å; E754-H758 WeakPolarHBondContact O-CB 3.38Å; E754-H758 PolarHBondContact O-N 3.5Å; H758-L760 VanDerWaalsContact C-N 3.29Å; H758-L760 PolarHBondContact O-N 2.92Å; H758-F761 PolarHBondContact O-N 3.32Å; H758-E762 WeakPolarHBondContact O-CB 3.17Å; H758-E762 PolarHBondContact O-N 3.17Å |
| 759 | S | 84 | Confident | 82.6 | Confident | 53 Ų | 53 | 39.8 Ų | 39.8 | 37% | 0.371 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -57.3 | -44.5 | 179.8 | -162.3 | 0 | 0 | 0 | 0 | 111.6 | E653 S757 E762 L763 | E653-S759 VanDerWaalsContact OE1-CB 3.32Å; E653-S759 WeakPolarHBondContact OE1-CB 3.43Å; E653-S759 PolarHBondContact OE1-OG 2.94Å; S757-S759 PolarHBondContact O-N 2.91Å; S759-E762 PolarHBondContact O-N 3.12Å; S759-L763 WeakPolarHBondContact O-CB 3.49Å; S759-L763 PolarHBondContact O-N 3.18Å |
| 760 | L | 86 | Confident | 83.4 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.4 | -44.6 | 176.5 | -87 | 174.3 | 0 | 0 | 0 | 113.2 | I649 L652 E653 I656 W691 S757 H758 E762 L763 I764 | I649-L760 HydrophobicContact CB-CD1 4.47Å; I649-L760 HydrophobicContact CG2-CD1 3.26Å; I649-L760 HydrophobicContact CG2-CG 4.42Å; L652-L760 HydrophobicContact CD2-CD1 4.32Å; L652-L760 HydrophobicContact CD2-CD2 4.14Å; E653-L760 VanDerWaalsContact CA-CD2 3.45Å; E653-L760 HydrophobicContact CB-CD1 4.47Å; E653-L760 HydrophobicContact CB-CD2 3.39Å; E653-L760 HydrophobicContact CB-CG 3.87Å; E653-L760 HydrophobicContact CG-CD2 3.68Å; E653-L760 HydrophobicContact CG-CG 4.11Å; I656-L760 HydrophobicContact CD1-CD2 4.41Å; W691-L760 HydrophobicContact CE3-CD1 4.49Å; W691-L760 HydrophobicContact CH2-CD1 3.39Å; W691-L760 HydrophobicContact CZ2-CB 4.04Å; W691-L760 HydrophobicContact CZ2-CD1 3.6Å; W691-L760 HydrophobicContact CZ2-CG 4.46Å; W691-L760 HydrophobicContact CZ3-CD1 3.87Å; S757-L760 PolarHBondContact O-N 3.44Å; H758-L760 VanDerWaalsContact C-N 3.29Å; H758-L760 PolarHBondContact O-N 2.92Å; L760-E762 VanDerWaalsContact C-N 3.32Å; L760-E762 PolarHBondContact O-N 2.95Å; L760-L763 HydrophobicContact CD2-CD2 4.46Å; L760-L763 WeakPolarHBondContact O-CB 3.47Å; L760-L763 PolarHBondContact O-N 2.78Å; L760-I764 VanDerWaalsContact O-CB 3.31Å; L760-I764 WeakPolarHBondContact O-CB 3.37Å; L760-I764 VanDerWaalsContact O-CD1 3.31Å; L760-I764 WeakPolarHBondContact O-CD1 3.28Å; L760-I764 VanDerWaalsContact O-CG1 3.26Å; L760-I764 WeakPolarHBondContact O-CG1 3.32Å; L760-I764 PolarHBondContact O-N 3.41Å |
| 761 | F | 85.8 | Confident | 84 | Confident | 46 Ų | 46 | 35.5 Ų | 35.5 | 20% | 0.202 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.2 | -39.6 | 176.8 | -81.3 | -62.6 | 0 | 0 | 0 | 111.9 | W691 Y692 V695 S757 H758 I764 N765 | W691-F761 AromaticContact CD1-CE1 3.81Å; W691-F761 AromaticContact NE1-CD1 3.69Å; W691-F761 AromaticContact NE1-CE1 3.44Å; W691-F761 AromaticContact NE1-CZ 3.71Å; Y692-F761 AromaticContact CD1-CE1 3.98Å; Y692-F761 HydrophobicContact CD1-CE1 3.98Å; Y692-F761 AromaticContact CE1-CD1 3.92Å; Y692-F761 HydrophobicContact CE1-CD1 3.92Å; Y692-F761 AromaticContact CE1-CE1 3.58Å; Y692-F761 HydrophobicContact CE1-CE1 3.58Å; V695-F761 HydrophobicContact CG1-CZ 4.27Å; V695-F761 HydrophobicContact CG2-CZ 3.99Å; S757-F761 VanDerWaalsContact O-CD2 3.25Å; S757-F761 WeakPolarHBondContact O-CD2 3.39Å; S757-F761 PolarHBondContact O-N 2.8Å; H758-F761 PolarHBondContact O-N 3.32Å; F761-I764 PolarHBondContact O-N 2.98Å; F761-N765 WeakPolarHBondContact O-CB 3.36Å; F761-N765 PolarHBondContact O-N 2.96Å; F761-N765 PolarHBondContact O-ND2 3.28Å |
| 762 | E | 83.7 | Confident | 84.6 | Confident | 83 Ų | 83 | 32 Ų | 32 | 39% | 0.388 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62.7 | -48.8 | 175.2 | -172.5 | 171.9 | -166.9 | 0 | 0 | 111 | H758 S759 L760 I764 N765 Q766 | H758-E762 WeakPolarHBondContact O-CB 3.17Å; H758-E762 PolarHBondContact O-N 3.17Å; S759-E762 PolarHBondContact O-N 3.12Å; L760-E762 VanDerWaalsContact C-N 3.32Å; L760-E762 PolarHBondContact O-N 2.95Å; E762-I764 VanDerWaalsContact C-N 3.31Å; E762-I764 PolarHBondContact O-N 2.86Å; E762-N765 PolarHBondContact O-N 2.87Å; E762-Q766 WeakPolarHBondContact O-CB 3.49Å; E762-Q766 PolarHBondContact O-N 3.29Å |
| 763 | L | 85.4 | Confident | 85 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -55 | -46.3 | 174.4 | -176.1 | 98 | 0 | 0 | 0 | 112 | I656 T657 L666 F670 S759 L760 Q766 I767 | I656-L763 HydrophobicContact CB-CD2 3.93Å; I656-L763 HydrophobicContact CG2-CD2 3.44Å; I656-L763 VanDerWaalsContact CG2-CD2 3.44Å; T657-L763 HydrophobicContact CG2-CD1 3.28Å; T657-L763 HydrophobicContact CG2-CD2 4.05Å; T657-L763 HydrophobicContact CG2-CG 4.3Å; L666-L763 HydrophobicContact CD1-CD1 4.31Å; F670-L763 HydrophobicContact CZ-CD1 4.26Å; S759-L763 WeakPolarHBondContact O-CB 3.49Å; S759-L763 PolarHBondContact O-N 3.18Å; L760-L763 HydrophobicContact CD2-CD2 4.46Å; L760-L763 WeakPolarHBondContact O-CB 3.47Å; L760-L763 PolarHBondContact O-N 2.78Å; L763-Q766 WeakPolarHBondContact O-CB 3.2Å; L763-Q766 PolarHBondContact O-N 2.89Å; L763-I767 HydrophobicContact CD2-CD1 3.96Å; L763-I767 HydrophobicContact CG-CD1 4.03Å; L763-I767 WeakPolarHBondContact O-CG1 3.36Å; L763-I767 PolarHBondContact O-N 3.47Å |
| 764 | I | 87.9 | Confident | 85 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -70.7 | -39.2 | -175.9 | -76.7 | 162.2 | 0 | 0 | 0 | 111.4 | I656 W691 Y692 L760 F761 E762 Q766 I767 T768 | I656-I764 HydrophobicContact CD1-CD1 4.43Å; W691-I764 HydrophobicContact CB-CD1 3.21Å; W691-I764 HydrophobicContact CB-CG1 4.36Å; W691-I764 HydrophobicContact CD2-CD1 3.8Å; W691-I764 HydrophobicContact CG-CD1 3.02Å; W691-I764 HydrophobicContact CG-CG1 4.45Å; Y692-I764 HydrophobicContact CD2-CG2 4.31Å; Y692-I764 HydrophobicContact CE2-CG2 3.79Å; L760-I764 VanDerWaalsContact O-CB 3.31Å; L760-I764 WeakPolarHBondContact O-CB 3.37Å; L760-I764 VanDerWaalsContact O-CD1 3.31Å; L760-I764 WeakPolarHBondContact O-CD1 3.28Å; L760-I764 VanDerWaalsContact O-CG1 3.26Å; L760-I764 WeakPolarHBondContact O-CG1 3.32Å; L760-I764 PolarHBondContact O-N 3.41Å; F761-I764 PolarHBondContact O-N 2.98Å; E762-I764 VanDerWaalsContact C-N 3.31Å; E762-I764 PolarHBondContact O-N 2.86Å; I764-Q766 VanDerWaalsContact C-N 3.29Å; I764-Q766 PolarHBondContact O-N 3.4Å; I764-I767 PolarHBondContact O-N 3.46Å; I764-T768 WeakPolarHBondContact O-CG2 3.32Å; I764-T768 PolarHBondContact O-N 2.96Å; I764-T768 PolarHBondContact O-OG1 3.43Å |
| 765 | N | 85.4 | Confident | 85.1 | Confident | 24 Ų | 24 | 26.6 Ų | 26.6 | 13% | 0.128 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.9 | -38.8 | 173.2 | -69.2 | -31.3 | 0 | 0 | 0 | 110.9 | Y692 F761 E762 T768 F769 F896 | Y692-N765 PolarHBondContact OH-OD1 2.85Å; F761-N765 WeakPolarHBondContact O-CB 3.36Å; F761-N765 PolarHBondContact O-N 2.96Å; F761-N765 PolarHBondContact O-ND2 3.28Å; E762-N765 PolarHBondContact O-N 2.87Å; N765-T768 WeakPolarHBondContact CA-OG1 3.33Å; N765-T768 PolarHBondContact O-N 3.21Å; N765-T768 PolarHBondContact O-OG1 3.46Å; N765-F769 WeakPolarHBondContact O-CB 3.37Å; N765-F769 PolarHBondContact O-N 3.33Å; N765-F896 HydrophobicContact CB-CD2 3.89Å; N765-F896 HydrophobicContact CB-CE2 3.41Å; N765-F896 VanDerWaalsContact CB-CE2 3.41Å; N765-F896 HydrophobicContact CB-CZ 3.87Å |
| 766 | Q | 85.2 | Confident | 85.3 | Confident | 21 Ų | 21 | 23 Ų | 23 | 10% | 0.098 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.9 | -46.8 | 171.7 | -171.6 | 72 | 34.1 | 0 | 0 | 111.6 | F670 E762 L763 I764 T768 F769 D770 F896 | F670-Q766 HydrophobicContact CD1-CB 4.41Å; F670-Q766 HydrophobicContact CD1-CG 4.13Å; F670-Q766 HydrophobicContact CE1-CB 4.31Å; F670-Q766 HydrophobicContact CE1-CG 4.3Å; E762-Q766 WeakPolarHBondContact O-CB 3.49Å; E762-Q766 PolarHBondContact O-N 3.29Å; L763-Q766 WeakPolarHBondContact O-CB 3.2Å; L763-Q766 PolarHBondContact O-N 2.89Å; I764-Q766 VanDerWaalsContact C-N 3.29Å; I764-Q766 PolarHBondContact O-N 3.4Å; Q766-T768 PolarHBondContact O-N 3.47Å; Q766-F769 WeakPolarHBondContact O-CB 3.32Å; Q766-F769 PolarHBondContact O-N 2.76Å; Q766-F769 VanDerWaalsContact O-N 3.17Å; Q766-D770 PolarHBondContact NE2-OD1 3.5Å; Q766-D770 PolarHBondContact O-N 3.49Å; Q766-F896 HydrophobicContact CB-CE1 4.46Å |
| 767 | I | 86.5 | Confident | 85.4 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.3 | -41.9 | 177.5 | -68.5 | 164.8 | 0 | 0 | 0 | 111.1 | I656 A660 Y661 G684 L763 I764 F769 S771 | I656-I767 HydrophobicContact CG2-CD1 3.4Å; I656-I767 VanDerWaalsContact CG2-CD1 3.4Å; A660-I767 HydrophobicContact CB-CD1 3.81Å; A660-I767 HydrophobicContact CB-CG1 4.06Å; Y661-I767 HydrophobicContact CE2-CD1 4.27Å; Y661-I767 HydrophobicContact CE2-CG1 3.68Å; G684-I767 WeakPolarHBondContact O-CG2 3.18Å; L763-I767 HydrophobicContact CD2-CD1 3.96Å; L763-I767 HydrophobicContact CG-CD1 4.03Å; L763-I767 WeakPolarHBondContact O-CG1 3.36Å; L763-I767 PolarHBondContact O-N 3.47Å; I764-I767 PolarHBondContact O-N 3.46Å; I767-F769 VanDerWaalsContact C-N 3.31Å; I767-F769 PolarHBondContact O-N 2.68Å; I767-S771 WeakPolarHBondContact O-CB 3.38Å; I767-S771 PolarHBondContact O-N 2.96Å; I767-S771 PolarHBondContact O-OG 3.43Å |
| 768 | T | 85.7 | Confident | 85.3 | Confident | 12 Ų | 12 | 22.4 Ų | 22.4 | 7% | 0.074 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.6 | -41.9 | 175.2 | 56.9 | 0 | 0 | 0 | 0 | 111.9 | S688 I764 N765 Q766 L772 | S688-T768 WeakPolarHBondContact OG-CG2 3.34Å; I764-T768 WeakPolarHBondContact O-CG2 3.32Å; I764-T768 PolarHBondContact O-N 2.96Å; I764-T768 PolarHBondContact O-OG1 3.43Å; N765-T768 WeakPolarHBondContact CA-OG1 3.33Å; N765-T768 PolarHBondContact O-N 3.21Å; N765-T768 PolarHBondContact O-OG1 3.46Å; Q766-T768 PolarHBondContact O-N 3.47Å; T768-L772 VanDerWaalsContact O-CB 3.32Å; T768-L772 WeakPolarHBondContact O-CB 3.41Å; T768-L772 PolarHBondContact O-N 2.96Å |
| 769 | F | 86.9 | Confident | 85.2 | Confident | 16 Ų | 16 | 21 Ų | 21 | 7% | 0.07 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.1 | -52.1 | 178.2 | 164.3 | -99 | 0 | 0 | 0 | 111.1 | N765 Q766 I767 S771 L772 V773 L892 F896 L899 F900 | N765-F769 WeakPolarHBondContact O-CB 3.37Å; N765-F769 PolarHBondContact O-N 3.33Å; Q766-F769 WeakPolarHBondContact O-CB 3.32Å; Q766-F769 PolarHBondContact O-N 2.76Å; Q766-F769 VanDerWaalsContact O-N 3.17Å; I767-F769 VanDerWaalsContact C-N 3.31Å; I767-F769 PolarHBondContact O-N 2.68Å; F769-S771 VanDerWaalsContact C-N 3.27Å; F769-S771 PolarHBondContact O-N 2.88Å; F769-L772 WeakPolarHBondContact O-CB 3.25Å; F769-L772 PolarHBondContact O-N 3.34Å; F769-L772 VanDerWaalsContact O-N 3.15Å; F769-V773 HydrophobicContact CD2-CG2 4.1Å; F769-V773 HydrophobicContact CE1-CG2 4.16Å; F769-V773 HydrophobicContact CE2-CG2 3.62Å; F769-V773 HydrophobicContact CZ-CG2 3.66Å; F769-V773 WeakPolarHBondContact O-CG2 3.22Å; F769-V773 PolarHBondContact O-N 3.47Å; F769-L892 HydrophobicContact CB-CD2 4.3Å; F769-L892 HydrophobicContact CD2-CD2 4.19Å; F769-F896 HydrophobicContact CB-CB 4.34Å; F769-F896 HydrophobicContact CB-CD1 3.69Å; F769-F896 HydrophobicContact CB-CE1 4.4Å; F769-F896 HydrophobicContact CB-CG 4.31Å; F769-F896 HydrophobicContact CD1-CD1 4.38Å; F769-F896 HydrophobicContact CD2-CB 4.31Å; F769-F896 HydrophobicContact CD2-CD1 4.26Å; F769-F896 AromaticContact CG-CD1 3.85Å; F769-F896 HydrophobicContact CG-CD1 3.85Å; F769-L899 HydrophobicContact CE2-CB 3.75Å; F769-L899 HydrophobicContact CZ-CB 3.99Å; F769-F900 HydrophobicContact CD2-CB 4.18Å; F769-F900 HydrophobicContact CE2-CB 3.97Å |
| 770 | D | 86.2 | Confident | 85.1 | Confident | 4 Ų | 4 | 23.2 Ų | 23.2 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.8 | -37.1 | -179.9 | -68 | -26.3 | 0 | 0 | 0 | 111.2 | Y661 L677 Q766 V773 N774 | Y661-D770 WeakPolarHBondContact CE1-OD2 3.43Å; Y661-D770 PolarHBondContact OH-OD2 2.81Å; L677-D770 VanDerWaalsContact CD1-C 3.43Å; L677-D770 HydrophobicContact CD1-CB 3.62Å; L677-D770 HydrophobicContact CG-CB 3.95Å; Q766-D770 PolarHBondContact NE2-OD1 3.5Å; Q766-D770 PolarHBondContact O-N 3.49Å; D770-V773 PolarHBondContact O-N 3.18Å; D770-N774 WeakPolarHBondContact O-CB 3.03Å; D770-N774 VanDerWaalsContact O-CG 3.29Å; D770-N774 PolarHBondContact O-N 2.89Å; D770-N774 PolarHBondContact O-ND2 3.25Å |
| 771 | S | 85.6 | Confident | 85 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.3 | -40.6 | 176.7 | -59.8 | 0 | 0 | 0 | 0 | 111.3 | L677 P681 G684 I767 F769 G775 | L677-S771 VanDerWaalsContact CD1-N 3.29Å; L677-S771 WeakPolarHBondContact CD1-OG 3.34Å; P681-S771 WeakPolarHBondContact CB-O 3.37Å; P681-S771 WeakPolarHBondContact O-CB 3.3Å; G684-S771 WeakPolarHBondContact CA-OG 3.21Å; I767-S771 WeakPolarHBondContact O-CB 3.38Å; I767-S771 PolarHBondContact O-N 2.96Å; I767-S771 PolarHBondContact O-OG 3.43Å; F769-S771 VanDerWaalsContact C-N 3.27Å; F769-S771 PolarHBondContact O-N 2.88Å; S771-G775 PolarHBondContact O-N 2.87Å |
| 772 | L | 86.5 | Confident | 85.1 | Confident | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.3 | -45.1 | 176.4 | -171.4 | 75 | 0 | 0 | 0 | 111.5 | T768 F769 G775 A776 M883 F886 L887 L892 F900 | T768-L772 VanDerWaalsContact O-CB 3.32Å; T768-L772 WeakPolarHBondContact O-CB 3.41Å; T768-L772 PolarHBondContact O-N 2.96Å; F769-L772 WeakPolarHBondContact O-CB 3.25Å; F769-L772 PolarHBondContact O-N 3.34Å; F769-L772 VanDerWaalsContact O-N 3.15Å; L772-G775 PolarHBondContact O-N 3.49Å; L772-A776 WeakPolarHBondContact O-CB 3.46Å; L772-A776 PolarHBondContact O-N 3.27Å; L772-M883 HydrophobicContact CD1-CG 4.09Å; L772-F886 HydrophobicContact CD1-CB 4.42Å; L772-F886 HydrophobicContact CD1-CD2 4.28Å; L772-L887 HydrophobicContact CD1-CD1 3.99Å; L772-L887 HydrophobicContact CD1-CG 4.09Å; L772-L887 HydrophobicContact CD2-CD1 4.03Å; L772-L892 HydrophobicContact CD2-CD1 3.84Å; L772-L892 HydrophobicContact CD2-CD2 3.87Å; L772-F900 HydrophobicContact CB-CE2 4.34Å; L772-F900 HydrophobicContact CD2-CD1 4.09Å; L772-F900 HydrophobicContact CD2-CD2 3.56Å; L772-F900 HydrophobicContact CD2-CE1 4.07Å; L772-F900 HydrophobicContact CD2-CE2 3.55Å; L772-F900 HydrophobicContact CD2-CG 3.84Å; L772-F900 HydrophobicContact CD2-CZ 3.81Å; L772-F900 HydrophobicContact CG-CD2 3.98Å; L772-F900 HydrophobicContact CG-CE2 3.56Å; L772-F900 HydrophobicContact CG-CZ 3.95Å |
| 773 | V | 85.6 | Confident | 85.1 | Confident | 9 Ų | 9 | 23.4 Ų | 23.4 | 6% | 0.055 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.7 | -50.8 | 177.1 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | F769 D770 G775 A776 V777 G778 F900 K903 | F769-V773 HydrophobicContact CD2-CG2 4.1Å; F769-V773 HydrophobicContact CE1-CG2 4.16Å; F769-V773 HydrophobicContact CE2-CG2 3.62Å; F769-V773 HydrophobicContact CZ-CG2 3.66Å; F769-V773 WeakPolarHBondContact O-CG2 3.22Å; F769-V773 PolarHBondContact O-N 3.47Å; D770-V773 PolarHBondContact O-N 3.18Å; V773-G775 VanDerWaalsContact C-N 3.29Å; V773-G775 PolarHBondContact O-N 2.9Å; V773-A776 PolarHBondContact O-N 3.48Å; V773-V777 CarbonylContact O-C 3.27Å; V773-V777 VanDerWaalsContact O-C 3.27Å; V773-V777 WeakPolarHBondContact O-CA 3.32Å; V773-V777 PolarHBondContact O-N 3.36Å; V773-G778 PolarHBondContact O-N 3.41Å; V773-F900 HydrophobicContact CG2-CD2 3.77Å; V773-F900 HydrophobicContact CG2-CE2 4.32Å; V773-K903 HydrophobicContact CG1-CG 3.81Å; V773-K903 HydrophobicContact CG2-CG 4.37Å |
| 774 | N | 83.6 | Confident | 85.1 | Confident | 56 Ų | 56 | 26.2 Ų | 26.2 | 30% | 0.299 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -64.3 | -34.3 | -179.6 | -74.4 | -17.3 | 0 | 0 | 0 | 112.8 | D770 G778 | D770-N774 WeakPolarHBondContact O-CB 3.03Å; D770-N774 VanDerWaalsContact O-CG 3.29Å; D770-N774 PolarHBondContact O-N 2.89Å; D770-N774 PolarHBondContact O-ND2 3.25Å; N774-G778 WeakPolarHBondContact O-CA 3.42Å; N774-G778 PolarHBondContact O-N 2.94Å |
| 775 | G | 82.9 | Confident | 85 | Confident | 12 Ų | 12 | 26.2 Ų | 26.2 | 12% | 0.124 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -82.2 | -28.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | S771 L772 V773 I781 | S771-G775 PolarHBondContact O-N 2.87Å; L772-G775 PolarHBondContact O-N 3.49Å; V773-G775 VanDerWaalsContact C-N 3.29Å; V773-G775 PolarHBondContact O-N 2.9Å; G775-I781 WeakPolarHBondContact O-CD1 2.98Å |
| 776 | A | 85.9 | Confident | 85 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -92.8 | -36.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L772 V773 I879 T882 F900 | L772-A776 WeakPolarHBondContact O-CB 3.46Å; L772-A776 PolarHBondContact O-N 3.27Å; V773-A776 PolarHBondContact O-N 3.48Å; A776-I879 HydrophobicContact CB-CG1 4.36Å; A776-I879 HydrophobicContact CB-CG2 4.32Å; A776-T882 HydrophobicContact CB-CG2 4.13Å; A776-F900 HydrophobicContact CB-CE2 4.09Å; A776-F900 HydrophobicContact CB-CZ 3.94Å |
| 777 | V | 85.2 | Confident | 84.9 | Confident | 9 Ų | 9 | 33.8 Ų | 33.8 | 6% | 0.055 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -137.6 | 39 | -171.9 | -165.2 | 0 | 0 | 0 | 0 | 109.4 | V773 L782 I879 V904 | V773-V777 CarbonylContact O-C 3.27Å; V773-V777 VanDerWaalsContact O-C 3.27Å; V773-V777 WeakPolarHBondContact O-CA 3.32Å; V773-V777 PolarHBondContact O-N 3.36Å; V777-L782 HydrophobicContact CG1-CD1 3.91Å; V777-L782 HydrophobicContact CG1-CD2 3.32Å; V777-L782 HydrophobicContact CG1-CG 3.73Å; V777-I879 HydrophobicContact CG2-CD1 4.22Å; V777-I879 HydrophobicContact CG2-CG1 4.4Å; V777-V904 HydrophobicContact CG2-CB 4.31Å; V777-V904 HydrophobicContact CG2-CG1 4.32Å; V777-V904 HydrophobicContact CG2-CG2 3.7Å |
| 778 | G | 83.4 | Confident | 84.6 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | trans | -68.4 | 163.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V773 N774 T780 I781 L782 | V773-G778 PolarHBondContact O-N 3.41Å; N774-G778 WeakPolarHBondContact O-CA 3.42Å; N774-G778 PolarHBondContact O-N 2.94Å; G778-T780 PolarHBondContact O-N 2.67Å; G778-I781 PolarHBondContact O-N 3.32Å; G778-I781 VanDerWaalsContact O-N 3.17Å; G778-L782 WeakPolarHBondContact O-CB 3.33Å; G778-L782 WeakPolarHBondContact O-CG 3.27Å; G778-L782 PolarHBondContact O-N 2.92Å | ||
| 779 | P | 82.1 | Confident | 84.4 | Confident | 91 Ų | 91 | 33.6 Ų | 33.6 | 59% | 0.591 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -59.4 | -32.9 | -176.9 | 24.8 | -34.3 | 0 | 0 | 0 | 112.8 | N783 | P779-N783 VanDerWaalsContact O-CB 3.29Å; P779-N783 WeakPolarHBondContact O-CB 3.32Å; P779-N783 PolarHBondContact O-N 3.43Å; P779-N783 PolarHBondContact O-ND2 3.31Å; P779-N783 PolarHBondContact O-OD1 2.57Å |
| 780 | T | 80.7 | Confident | 84.1 | Confident | 100 Ų | 100 | 33.9 Ų | 33.9 | 61% | 0.613 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -65.1 | -50.7 | 176.4 | 47.8 | 0 | 0 | 0 | 0 | 111.8 | G778 L782 N783 E784 | G778-T780 PolarHBondContact O-N 2.67Å; T780-L782 VanDerWaalsContact C-N 3.34Å; T780-L782 PolarHBondContact O-N 3.01Å; T780-N783 PolarHBondContact O-N 3.07Å; T780-E784 WeakPolarHBondContact O-CG 3.19Å; T780-E784 PolarHBondContact O-N 3Å |
| 781 | I | 85 | Confident | 83.4 | Confident | 18 Ų | 18 | 36.7 Ų | 36.7 | 9% | 0.092 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.8 | -41.2 | 179.5 | -61.2 | 169.7 | 0 | 0 | 0 | 110.5 | G775 G778 E784 F785 L875 | G775-I781 WeakPolarHBondContact O-CD1 2.98Å; G778-I781 PolarHBondContact O-N 3.32Å; G778-I781 VanDerWaalsContact O-N 3.17Å; I781-E784 PolarHBondContact O-N 2.82Å; I781-F785 VanDerWaalsContact O-CB 3.24Å; I781-F785 WeakPolarHBondContact O-CB 3.48Å; I781-F785 PolarHBondContact O-N 2.73Å; I781-L875 HydrophobicContact CG2-CD1 3.63Å |
| 782 | L | 86.7 | Confident | 82.8 | Confident | 25 Ų | 25 | 37.8 Ų | 37.8 | 13% | 0.131 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.3 | -39 | 176.4 | -75.8 | -172.9 | 0 | 0 | 0 | 112.4 | V777 G778 T780 F785 R786 I911 | V777-L782 HydrophobicContact CG1-CD1 3.91Å; V777-L782 HydrophobicContact CG1-CD2 3.32Å; V777-L782 HydrophobicContact CG1-CG 3.73Å; G778-L782 WeakPolarHBondContact O-CB 3.33Å; G778-L782 WeakPolarHBondContact O-CG 3.27Å; G778-L782 PolarHBondContact O-N 2.92Å; T780-L782 VanDerWaalsContact C-N 3.34Å; T780-L782 PolarHBondContact O-N 3.01Å; L782-F785 PolarHBondContact O-N 3.41Å; L782-R786 VanDerWaalsContact O-CB 3.32Å; L782-R786 WeakPolarHBondContact O-CB 3.36Å; L782-R786 PolarHBondContact O-N 2.85Å; L782-I911 HydrophobicContact CB-CD1 3.92Å; L782-I911 HydrophobicContact CD2-CD1 3.59Å; L782-I911 HydrophobicContact CG-CD1 4.2Å |
| 783 | N | 85.2 | Confident | 82.2 | Confident | 90 Ų | 90 | 37.9 Ų | 37.9 | 48% | 0.481 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -67.8 | -45 | 175.5 | -72 | -17.7 | 0 | 0 | 0 | 111.4 | P779 T780 F785 R786 D787 | P779-N783 VanDerWaalsContact O-CB 3.29Å; P779-N783 WeakPolarHBondContact O-CB 3.32Å; P779-N783 PolarHBondContact O-N 3.43Å; P779-N783 PolarHBondContact O-ND2 3.31Å; P779-N783 PolarHBondContact O-OD1 2.57Å; T780-N783 PolarHBondContact O-N 3.07Å; N783-F785 VanDerWaalsContact C-N 3.28Å; N783-F785 PolarHBondContact O-N 3.2Å; N783-R786 WeakPolarHBondContact O-CB 3.42Å; N783-R786 PolarHBondContact O-N 3.27Å; N783-D787 WeakPolarHBondContact O-CB 3.45Å; N783-D787 VanDerWaalsContact O-CG 3.22Å; N783-D787 PolarHBondContact O-N 3.44Å |
| 784 | E | 84.3 | Confident | 81.4 | Confident | 60 Ų | 60 | 38.5 Ų | 38.5 | 28% | 0.28 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60 | -40.7 | 174.5 | -72.3 | -174.7 | 160.6 | 0 | 0 | 111.7 | F470 S471 T780 I781 D787 S788 | F470-E784 HydrophobicContact CD1-CB 4.12Å; F470-E784 HydrophobicContact CE1-CB 4.13Å; S471-E784 PolarHBondContact OG-OE1 3.44Å; T780-E784 WeakPolarHBondContact O-CG 3.19Å; T780-E784 PolarHBondContact O-N 3Å; I781-E784 PolarHBondContact O-N 2.82Å; E784-D787 PolarHBondContact O-N 2.71Å; E784-S788 VanDerWaalsContact O-CB 3.23Å; E784-S788 WeakPolarHBondContact O-CB 3.48Å; E784-S788 PolarHBondContact O-N 3.19Å |
| 785 | F | 87.1 | Confident | 80.1 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.1 | -44.8 | 174.9 | 176.6 | -113.9 | 0 | 0 | 0 | 111.9 | I781 L782 N783 S788 L789 P871 T872 L875 L908 I911 Y912 | I781-F785 VanDerWaalsContact O-CB 3.24Å; I781-F785 WeakPolarHBondContact O-CB 3.48Å; I781-F785 PolarHBondContact O-N 2.73Å; L782-F785 PolarHBondContact O-N 3.41Å; N783-F785 VanDerWaalsContact C-N 3.28Å; N783-F785 PolarHBondContact O-N 3.2Å; F785-S788 WeakPolarHBondContact O-CB 3.3Å; F785-S788 PolarHBondContact O-N 2.92Å; F785-L789 HydrophobicContact CD1-CD1 3.86Å; F785-L789 HydrophobicContact CD2-CD1 4.4Å; F785-L789 HydrophobicContact CD2-CG 4.29Å; F785-L789 HydrophobicContact CE1-CD1 3.28Å; F785-L789 HydrophobicContact CE1-CG 4.16Å; F785-L789 HydrophobicContact CE2-CD1 3.89Å; F785-L789 HydrophobicContact CE2-CD2 4.13Å; F785-L789 HydrophobicContact CE2-CG 3.9Å; F785-L789 HydrophobicContact CG-CD1 4.4Å; F785-L789 HydrophobicContact CZ-CD1 3.32Å; F785-L789 HydrophobicContact CZ-CD2 4.12Å; F785-L789 HydrophobicContact CZ-CG 3.86Å; F785-L789 WeakPolarHBondContact O-CB 3.47Å; F785-L789 WeakPolarHBondContact O-CG 3.14Å; F785-L789 PolarHBondContact O-N 2.82Å; F785-P871 HydrophobicContact CD2-CB 4.35Å; F785-P871 HydrophobicContact CE2-CB 4.13Å; F785-T872 HydrophobicContact CE2-CG2 3.77Å; F785-T872 HydrophobicContact CZ-CG2 3.65Å; F785-L875 HydrophobicContact CB-CD1 4.26Å; F785-L875 HydrophobicContact CD1-CD2 4.06Å; F785-L875 HydrophobicContact CD2-CB 3.8Å; F785-L875 HydrophobicContact CD2-CD1 4.37Å; F785-L875 HydrophobicContact CD2-CD2 3.92Å; F785-L875 HydrophobicContact CD2-CG 4.24Å; F785-L875 HydrophobicContact CE1-CD2 4.08Å; F785-L875 HydrophobicContact CE2-CB 3.91Å; F785-L875 HydrophobicContact CE2-CD2 3.94Å; F785-L875 HydrophobicContact CE2-CG 4.49Å; F785-L875 HydrophobicContact CG-CD1 4.32Å; F785-L875 HydrophobicContact CG-CD2 3.97Å; F785-L875 HydrophobicContact CG-CG 4.49Å; F785-L875 HydrophobicContact CZ-CD2 3.99Å; F785-L908 HydrophobicContact CD1-CD2 3.97Å; F785-L908 HydrophobicContact CE1-CD2 3.42Å; F785-L908 VanDerWaalsContact CE1-CD2 3.42Å; F785-L908 HydrophobicContact CZ-CD2 3.9Å; F785-I911 HydrophobicContact CD1-CD1 3.85Å; F785-I911 HydrophobicContact CD1-CG2 4.14Å; F785-I911 HydrophobicContact CE1-CD1 4.46Å; F785-I911 HydrophobicContact CE1-CG2 4.19Å; F785-Y912 HydrophobicContact CZ-CE2 4.45Å |
| 786 | R | 85.3 | Confident | 78.5 | Confident | 99 Ų | 99 | 43.8 Ų | 43.8 | 37% | 0.374 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.9 | -48.9 | 174.5 | -179.9 | -177.1 | -179.9 | -165 | 0.5 | 110.8 | L782 N783 S788 L789 C790 I911 | L782-R786 VanDerWaalsContact O-CB 3.32Å; L782-R786 WeakPolarHBondContact O-CB 3.36Å; L782-R786 PolarHBondContact O-N 2.85Å; N783-R786 WeakPolarHBondContact O-CB 3.42Å; N783-R786 PolarHBondContact O-N 3.27Å; R786-S788 VanDerWaalsContact C-N 3.31Å; R786-S788 PolarHBondContact O-N 3.47Å; R786-L789 PolarHBondContact O-N 2.99Å; R786-C790 WeakPolarHBondContact O-CB 3.34Å; R786-C790 PolarHBondContact O-N 3.36Å; R786-C790 PolarHBondContact O-SG 3.36Å; R786-I911 HydrophobicContact CB-CG2 3.94Å; R786-I911 HydrophobicContact CG-CG2 4.16Å |
| 787 | D | 81.7 | Confident | 76.2 | Confident | 106 Ų | 106 | 49.2 Ų | 49.2 | 57% | 0.567 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62.1 | -40.8 | 179.6 | -67.7 | -18.8 | 0 | 0 | 0 | 111.2 | N783 E784 C790 S791 | N783-D787 WeakPolarHBondContact O-CB 3.45Å; N783-D787 VanDerWaalsContact O-CG 3.22Å; N783-D787 PolarHBondContact O-N 3.44Å; E784-D787 PolarHBondContact O-N 2.71Å; D787-C790 PolarHBondContact O-N 3.34Å; D787-S791 WeakPolarHBondContact O-CB 3.46Å; D787-S791 PolarHBondContact O-N 2.91Å; D787-S791 PolarHBondContact O-OG 3.28Å |
| 788 | S | 81.3 | Confident | 73.8 | Confident | 7 Ų | 7 | 58.1 Ų | 58.1 | 5% | 0.049 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62 | -45.9 | 174.8 | -168.9 | 0 | 0 | 0 | 0 | 111.6 | E784 F785 R786 S791 T792 P871 | E784-S788 VanDerWaalsContact O-CB 3.23Å; E784-S788 WeakPolarHBondContact O-CB 3.48Å; E784-S788 PolarHBondContact O-N 3.19Å; F785-S788 WeakPolarHBondContact O-CB 3.3Å; F785-S788 PolarHBondContact O-N 2.92Å; R786-S788 VanDerWaalsContact C-N 3.31Å; R786-S788 PolarHBondContact O-N 3.47Å; S788-S791 PolarHBondContact O-N 2.86Å; S788-S791 PolarHBondContact O-OG 2.83Å; S788-T792 WeakPolarHBondContact O-CB 3.27Å; S788-T792 PolarHBondContact O-N 2.59Å; S788-T792 PolarHBondContact O-OG1 2.86Å; S788-P871 WeakPolarHBondContact OG-CB 3.33Å; S788-P871 WeakPolarHBondContact OG-CG 3.44Å |
| 789 | L | 81 | Confident | 71.5 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.3 | -42 | 175.1 | -71.4 | 175.8 | 0 | 0 | 0 | 112.4 | F785 R786 S791 T792 F793 P871 T872 I911 Y912 I915 | F785-L789 HydrophobicContact CD1-CD1 3.86Å; F785-L789 HydrophobicContact CD2-CD1 4.4Å; F785-L789 HydrophobicContact CD2-CG 4.29Å; F785-L789 HydrophobicContact CE1-CD1 3.28Å; F785-L789 HydrophobicContact CE1-CG 4.16Å; F785-L789 HydrophobicContact CE2-CD1 3.89Å; F785-L789 HydrophobicContact CE2-CD2 4.13Å; F785-L789 HydrophobicContact CE2-CG 3.9Å; F785-L789 HydrophobicContact CG-CD1 4.4Å; F785-L789 HydrophobicContact CZ-CD1 3.32Å; F785-L789 HydrophobicContact CZ-CD2 4.12Å; F785-L789 HydrophobicContact CZ-CG 3.86Å; F785-L789 WeakPolarHBondContact O-CB 3.47Å; F785-L789 WeakPolarHBondContact O-CG 3.14Å; F785-L789 PolarHBondContact O-N 2.82Å; R786-L789 PolarHBondContact O-N 2.99Å; L789-S791 VanDerWaalsContact C-N 3.33Å; L789-S791 PolarHBondContact O-N 3.33Å; L789-T792 CarbonylContact O-C 3.58Å; L789-T792 WeakPolarHBondContact O-CB 3.23Å; L789-T792 PolarHBondContact O-N 3.48Å; L789-F793 HydrophobicContact CB-CD2 4.25Å; L789-F793 HydrophobicContact CD2-CD2 3.98Å; L789-F793 HydrophobicContact CD2-CE2 3.54Å; L789-F793 WeakPolarHBondContact O-CB 3.43Å; L789-F793 WeakPolarHBondContact O-CD2 3.34Å; L789-F793 PolarHBondContact O-N 3.15Å; L789-P871 HydrophobicContact CD2-CB 3.83Å; L789-P871 HydrophobicContact CD2-CG 4.2Å; L789-P871 HydrophobicContact CG-CB 4.22Å; L789-T872 HydrophobicContact CD2-CG2 4.14Å; L789-I911 HydrophobicContact CD1-CG2 3.79Å; L789-Y912 HydrophobicContact CD1-CE1 4.48Å; L789-I915 HydrophobicContact CB-CD1 3.4Å; L789-I915 VanDerWaalsContact CB-CD1 3.4Å; L789-I915 HydrophobicContact CD1-CD1 3.47Å; L789-I915 VanDerWaalsContact CD1-CD1 3.47Å; L789-I915 HydrophobicContact CG-CD1 4.09Å |
| 790 | C | 79.9 | Confident | 69.1 | Low | 22 Ų | 22 | 68.9 Ų | 68.9 | 15% | 0.149 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.3 | -45 | 175.4 | -75.2 | 0 | 0 | 0 | 0 | 110.5 | R786 D787 T792 F793 L794 | R786-C790 WeakPolarHBondContact O-CB 3.34Å; R786-C790 PolarHBondContact O-N 3.36Å; R786-C790 PolarHBondContact O-SG 3.36Å; D787-C790 PolarHBondContact O-N 3.34Å; C790-T792 PolarHBondContact O-N 3.44Å; C790-F793 PolarHBondContact O-N 3.4Å; C790-L794 HydrophobicContact CB-CD1 3.75Å; C790-L794 WeakPolarHBondContact O-CA 3.34Å; C790-L794 VanDerWaalsContact O-CB 3.29Å; C790-L794 WeakPolarHBondContact O-CB 3.42Å; C790-L794 PolarHBondContact O-N 3.32Å; C790-L794 VanDerWaalsContact SG-CD1 3.56Å |
| 791 | S | 72.3 | Confident | 66.8 | Low | 64 Ų | 64 | 71.1 Ų | 71.1 | 45% | 0.448 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.4 | -26.8 | 175.4 | 76.1 | 0 | 0 | 0 | 0 | 113.3 | D787 S788 L789 | D787-S791 WeakPolarHBondContact O-CB 3.46Å; D787-S791 PolarHBondContact O-N 2.91Å; D787-S791 PolarHBondContact O-OG 3.28Å; S788-S791 PolarHBondContact O-N 2.86Å; S788-S791 PolarHBondContact O-OG 2.83Å; L789-S791 VanDerWaalsContact C-N 3.33Å; L789-S791 PolarHBondContact O-N 3.33Å |
| 792 | T | 73.1 | Confident | 64.5 | Low | 22 Ų | 22 | 77.7 Ų | 77.7 | 14% | 0.135 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -84.8 | -38.5 | -179.5 | -56.9 | 0 | 0 | 0 | 0 | 112.1 | S788 L789 C790 L833 P871 | S788-T792 WeakPolarHBondContact O-CB 3.27Å; S788-T792 PolarHBondContact O-N 2.59Å; S788-T792 PolarHBondContact O-OG1 2.86Å; L789-T792 CarbonylContact O-C 3.58Å; L789-T792 WeakPolarHBondContact O-CB 3.23Å; L789-T792 PolarHBondContact O-N 3.48Å; C790-T792 PolarHBondContact O-N 3.44Å; T792-L833 HydrophobicContact CG2-CD2 3.83Å; T792-P871 HydrophobicContact CG2-CG 4.5Å; T792-P871 WeakPolarHBondContact OG1-CG 3.48Å |
| 793 | F | 73.7 | Confident | 62 | Low | 5 Ų | 5 | 85.3 Ų | 85.3 | 2% | 0.022 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -111.6 | -21.8 | -168.5 | -66.9 | -58.3 | 0 | 0 | 0 | 114.8 | L789 C790 I915 L919 R948 Q951 I952 | L789-F793 HydrophobicContact CB-CD2 4.25Å; L789-F793 HydrophobicContact CD2-CD2 3.98Å; L789-F793 HydrophobicContact CD2-CE2 3.54Å; L789-F793 WeakPolarHBondContact O-CB 3.43Å; L789-F793 WeakPolarHBondContact O-CD2 3.34Å; L789-F793 PolarHBondContact O-N 3.15Å; C790-F793 PolarHBondContact O-N 3.4Å; F793-I915 HydrophobicContact CB-CG2 4.21Å; F793-L919 WeakPolarHBondContact O-CD2 3.11Å; F793-R948 VanDerWaalsContact C-NH1 3.27Å; F793-R948 HydrophobicContact CD1-CB 4.15Å; F793-R948 HydrophobicContact CD1-CG 4.3Å; F793-R948 WeakPolarHBondContact O-CD 3.31Å; F793-R948 PolarHBondContact O-NH1 2.92Å; F793-Q951 HydrophobicContact CE1-CB 4.02Å; F793-Q951 HydrophobicContact CE1-CG 3.86Å; F793-Q951 HydrophobicContact CZ-CB 4.44Å; F793-Q951 HydrophobicContact CZ-CG 3.89Å; F793-I952 HydrophobicContact CD1-CD1 4.16Å; F793-I952 HydrophobicContact CD1-CG1 4.1Å; F793-I952 HydrophobicContact CD2-CD1 4.31Å; F793-I952 HydrophobicContact CD2-CG1 4.22Å; F793-I952 HydrophobicContact CE1-CD1 4.42Å; F793-I952 HydrophobicContact CE1-CG1 3.85Å; F793-I952 HydrophobicContact CE2-CG1 3.96Å; F793-I952 HydrophobicContact CG-CD1 4.11Å; F793-I952 HydrophobicContact CG-CG1 4.28Å; F793-I952 HydrophobicContact CZ-CG1 3.78Å |
| 794 | L | 68 | Low | 59.6 | Low | 22 Ų | 22 | 91.1 Ų | 91.1 | 12% | 0.115 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -98.7 | 147.1 | -177.2 | -60.6 | 169.7 | 0 | 0 | 0 | 112.1 | C790 E918 L919 Y922 | C790-L794 HydrophobicContact CB-CD1 3.75Å; C790-L794 WeakPolarHBondContact O-CA 3.34Å; C790-L794 VanDerWaalsContact O-CB 3.29Å; C790-L794 WeakPolarHBondContact O-CB 3.42Å; C790-L794 PolarHBondContact O-N 3.32Å; C790-L794 VanDerWaalsContact SG-CD1 3.56Å; L794-E918 HydrophobicContact CD1-CG 4.17Å; L794-E918 WeakPolarHBondContact CD1-OE2 3.41Å; L794-E918 HydrophobicContact CD2-CB 4.01Å; L794-E918 HydrophobicContact CD2-CG 3.89Å; L794-L919 HydrophobicContact CD2-CD2 3.94Å; L794-L919 HydrophobicContact CD2-CG 3.91Å; L794-Y922 HydrophobicContact CD2-CE2 4.13Å |
| 795 | I | 57.5 | Low | 57.2 | Low | 49 Ų | 49 | 97.1 Ų | 97.1 | 25% | 0.251 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -92.8 | 109.2 | 178.7 | -54.4 | 172.8 | 0 | 0 | 0 | 106.5 | L941 R948 | I795-L941 HydrophobicContact CD1-CD1 3.66Å; I795-L941 HydrophobicContact CD1-CG 4.45Å; I795-R948 VanDerWaalsContact CG1-NH1 3.27Å |
| 796 | N | 48.6 | Very low | 54.7 | Low | 129 Ų | 129 | 104 Ų | 104 | 69% | 0.69 | 53% | 0.53 | S | S | * | . | trans | 69.2 | 87.3 | 173.7 | -53.8 | -26.7 | 0 | 0 | 0 | 116.6 | K798 | N796-K798 PolarHBondContact O-N 2.82Š| ||
| 797 | S | 37.4 | Very low | 52 | Low | 114 Ų | 114 | 106.1 Ų | 106.1 | 80% | 0.797 | 55% | 0.549 | S | S | * | . | trans | -70.7 | 115.9 | 160.8 | 56 | 0 | 0 | 0 | 0 | 109.9 | Q799 | S797-Q799 PolarHBondContact O-N 2.93Š| ||
| 798 | K | 35.2 | Very low | 49.6 | Very low | 197 Ų | 197 | 108.7 Ų | 108.7 | 86% | 0.857 | 56% | 0.559 | S | S | * | * | trans | -44.2 | 117.1 | 177.7 | -69 | 165.7 | 175.9 | 169.9 | 0 | 112 | N796 T800 | N796-K798 PolarHBondContact O-N 2.82Å; K798-T800 PolarHBondContact O-N 3.17Å | ||
| 799 | Q | 35.6 | Very low | 47.4 | Very low | 182 Ų | 182 | 118.2 Ų | 118.2 | 85% | 0.85 | 60% | 0.6 | S | S | * | * | trans | -65.5 | 117.2 | 158.3 | -91.5 | 179.9 | -8.8 | 0 | 0 | 108 | S797 N801 | S797-Q799 PolarHBondContact O-N 2.93Å; Q799-N801 PolarHBondContact O-N 3.39Å | ||
| 800 | T | 32.5 | Very low | 45.2 | Very low | 136 Ų | 136 | 123 Ų | 123 | 83% | 0.834 | 63% | 0.634 | S | S | * | * | trans | -56.2 | 99.6 | 168.7 | 47.6 | 0 | 0 | 0 | 0 | 109.3 | K798 D802 | K798-T800 PolarHBondContact O-N 3.17Å; T800-D802 PolarHBondContact O-N 3.36Å | ||
| 801 | N | 31.7 | Very low | 43.1 | Very low | 147 Ų | 147 | 130 Ų | 130 | 79% | 0.786 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | 109.8 | 157 | -68.3 | -33.8 | 0 | 0 | 0 | 106.7 | Q799 | Q799-N801 PolarHBondContact O-N 3.39Š|
| 802 | D | 35.6 | Very low | 41.4 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 83% | 0.834 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 178 | 0.1 | 135.9 | -87.5 | -16.9 | 0 | 0 | 0 | 117.3 | T800 | T800-D802 PolarHBondContact O-N 3.36Š|
| 803 | E | 36.1 | Very low | 39.8 | Very low | 185 Ų | 185 | 138.7 Ų | 138.7 | 86% | 0.864 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -112.2 | 15 | -175.6 | -75.4 | -167.8 | 164.8 | 0 | 0 | 118.2 | ||
| 804 | F | 33.7 | Very low | 38.4 | Very low | 212 Ų | 212 | 145.6 Ų | 145.6 | 93% | 0.93 | 74% | 0.744 | S | S | * | * | trans | -122.5 | 58.3 | 170.5 | -85.4 | -85.7 | 0 | 0 | 0 | 112.3 | ||||
| 805 | K | 33.2 | Very low | 37.4 | Very low | 186 Ų | 186 | 149 Ų | 149 | 81% | 0.809 | 76% | 0.762 | S | S | * | * | trans | -103.5 | 125.3 | 149.9 | -83.1 | 179.4 | 178.3 | 170.6 | 0 | 106.8 | ||||
| 806 | N | 34.4 | Very low | 37.1 | Very low | 143 Ų | 143 | 153.8 Ų | 153.8 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 92.1 | 82.2 | 176.9 | -40 | -25.8 | 0 | 0 | 0 | 113 | ||
| 807 | D | 30.4 | Very low | 37.2 | Very low | 145 Ų | 145 | 152.4 Ų | 152.4 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | 178 | 138.7 | 105.5 | -94.5 | -19.4 | 0 | 0 | 0 | 113.5 | |||||
| 808 | M | 31.5 | Very low | 37.7 | Very low | 159 Ų | 159 | 152.5 Ų | 152.5 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | trans | 77.5 | 95.1 | 156.6 | -60.9 | -60.9 | 168.2 | 0 | 0 | 120.3 | S810 | M808-S810 PolarHBondContact O-N 2.87Š| ||
| 809 | K | 34 | Very low | 38.4 | Very low | 208 Ų | 208 | 145.9 Ų | 145.9 | 90% | 0.904 | 74% | 0.738 | S | S | * | * | trans | -6.7 | 109.4 | 130.6 | -70.6 | 172.5 | 173.2 | 176.3 | 0 | 115.5 | ||||
| 810 | S | 35.6 | Very low | 38.9 | Very low | 101 Ų | 101 | 141.7 Ų | 141.7 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | trans | -154 | 121.1 | 141.6 | 58.7 | 0 | 0 | 0 | 0 | 108.7 | M808 L812 | M808-S810 PolarHBondContact O-N 2.87Å; S810-L812 VanDerWaalsContact C-N 3.3Å; S810-L812 PolarHBondContact O-N 2.98Å | ||
| 811 | D | 34.9 | Very low | 39.5 | Very low | 167 Ų | 167 | 140.3 Ų | 140.3 | 89% | 0.893 | 71% | 0.706 | S | S | * | * | trans | -65.9 | 73.7 | -175.2 | -69.6 | -45.2 | 0 | 0 | 0 | 113.6 | ||||
| 812 | L | 37.4 | Very low | 40 | Very low | 132 Ų | 132 | 137.5 Ų | 137.5 | 69% | 0.691 | 69% | 0.69 | S | S | * | * | trans | -117.3 | 91.2 | 160.2 | -82 | 158.7 | 0 | 0 | 0 | 107.6 | S810 F814 | S810-L812 VanDerWaalsContact C-N 3.3Å; S810-L812 PolarHBondContact O-N 2.98Å; L812-F814 HydrophobicContact CB-CD2 4.12Å; L812-F814 HydrophobicContact CB-CE2 4.15Å; L812-F814 HydrophobicContact CD2-CE2 4.18Å; L812-F814 PolarHBondContact O-N 2.88Å | ||
| 813 | V | 39.8 | Very low | 40.4 | Very low | 137 Ų | 137 | 135.1 Ų | 135.1 | 83% | 0.83 | 68% | 0.677 | S | S | * | * | trans | -67.1 | 75.1 | 173.6 | -175.5 | 0 | 0 | 0 | 0 | 108.4 | N815 | V813-N815 PolarHBondContact O-N 3.42Š| ||
| 814 | F | 42.8 | Very low | 40.9 | Very low | 151 Ų | 151 | 133.2 Ų | 133.2 | 66% | 0.662 | 67% | 0.67 | S | S | * | * | trans | -81.4 | 108.4 | 158 | -75.5 | -73.5 | 0 | 0 | 0 | 106.5 | L812 K816 V819 | L812-F814 HydrophobicContact CB-CD2 4.12Å; L812-F814 HydrophobicContact CB-CE2 4.15Å; L812-F814 HydrophobicContact CD2-CE2 4.18Å; L812-F814 PolarHBondContact O-N 2.88Å; F814-K816 PolarHBondContact O-N 3.35Å; F814-V819 HydrophobicContact CB-CG2 3.73Å; F814-V819 HydrophobicContact CG-CG2 4.44Å | ||
| 815 | N | 48.6 | Very low | 41.2 | Very low | 93 Ų | 93 | 130.5 Ų | 130.5 | 50% | 0.497 | 66% | 0.658 | S | S | . | * | trans | -54.8 | 114.1 | 179.2 | -154.6 | -4 | 0 | 0 | 0 | 107.5 | V813 N817 E818 V819 | V813-N815 PolarHBondContact O-N 3.42Å; N815-N817 PolarHBondContact O-N 3.44Å; N815-E818 HydrophobicContact CB-CB 4.15Å; N815-E818 HydrophobicContact CB-CG 4.25Å; N815-E818 WeakPolarHBondContact O-CA 3.4Å; N815-E818 WeakPolarHBondContact O-CB 3.4Å; N815-E818 PolarHBondContact O-N 3.32Å; N815-V819 PolarHBondContact O-N 3.45Å | ||
| 816 | K | 49.6 | Very low | 41.5 | Very low | 149 Ų | 149 | 129.8 Ų | 129.8 | 65% | 0.648 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -51.3 | -36 | -173.1 | -174.8 | -179.8 | 174.2 | -175.2 | 0 | 111.7 | F814 V819 E820 | F814-K816 PolarHBondContact O-N 3.35Å; K816-V819 PolarHBondContact O-N 2.95Å; K816-E820 WeakPolarHBondContact CE-OE1 3.43Å; K816-E820 WeakPolarHBondContact O-CB 3.47Å; K816-E820 PolarHBondContact O-N 3.23Å |
| 817 | N | 50.8 | Low | 41.9 | Very low | 101 Ų | 101 | 125.3 Ų | 125.3 | 54% | 0.54 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -70.6 | -31.1 | 176 | -72.1 | 19.7 | 0 | 0 | 0 | 113.8 | N815 N821 | N815-N817 PolarHBondContact O-N 3.44Å; N817-N821 WeakPolarHBondContact O-CB 3.39Å; N817-N821 PolarHBondContact O-N 2.98Å; N817-N821 PolarHBondContact O-ND2 2.91Å |
| 818 | E | 49.2 | Very low | 42.2 | Very low | 116 Ų | 116 | 123.3 Ų | 123.3 | 54% | 0.542 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -73.3 | -37.6 | 172.4 | -82 | -177.6 | 143.2 | 0 | 0 | 111 | N815 N821 L822 | N815-E818 HydrophobicContact CB-CB 4.15Å; N815-E818 HydrophobicContact CB-CG 4.25Å; N815-E818 WeakPolarHBondContact O-CA 3.4Å; N815-E818 WeakPolarHBondContact O-CB 3.4Å; N815-E818 PolarHBondContact O-N 3.32Å; E818-N821 PolarHBondContact O-N 3.47Å; E818-L822 WeakPolarHBondContact O-CA 3.49Å; E818-L822 WeakPolarHBondContact O-CB 3.35Å; E818-L822 WeakPolarHBondContact O-CD1 3.3Å; E818-L822 WeakPolarHBondContact O-CG 3.19Å; E818-L822 PolarHBondContact O-N 3.08Å |
| 819 | V | 48.8 | Very low | 42.7 | Very low | 58 Ų | 58 | 119.5 Ų | 119.5 | 35% | 0.352 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67.7 | -42.8 | 174.4 | -179 | 0 | 0 | 0 | 0 | 110.4 | F814 N815 K816 L822 L823 | F814-V819 HydrophobicContact CB-CG2 3.73Å; F814-V819 HydrophobicContact CG-CG2 4.44Å; N815-V819 PolarHBondContact O-N 3.45Å; K816-V819 PolarHBondContact O-N 2.95Å; V819-L822 PolarHBondContact O-N 3.03Å; V819-L823 HydrophobicContact CG1-CD1 3.74Å; V819-L823 HydrophobicContact CG1-CG 4.22Å; V819-L823 WeakPolarHBondContact O-CB 3.35Å; V819-L823 WeakPolarHBondContact O-CG 3.42Å; V819-L823 PolarHBondContact O-N 3.45Å |
| 820 | E | 46.7 | Very low | 43.2 | Very low | 93 Ų | 93 | 112.8 Ų | 112.8 | 44% | 0.435 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.8 | -41.9 | 172.6 | -83.7 | 175 | -179.2 | 0 | 0 | 111.8 | K816 M824 | K816-E820 WeakPolarHBondContact CE-OE1 3.43Å; K816-E820 WeakPolarHBondContact O-CB 3.47Å; K816-E820 PolarHBondContact O-N 3.23Å; E820-M824 VanDerWaalsContact O-CB 3.3Å; E820-M824 WeakPolarHBondContact O-CB 3.36Å; E820-M824 WeakPolarHBondContact O-CG 3.19Å; E820-M824 PolarHBondContact O-N 3.15Å |
| 821 | N | 44.9 | Very low | 43.6 | Very low | 107 Ų | 107 | 110.9 Ų | 110.9 | 57% | 0.572 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -71.5 | -36.7 | 177.3 | -76.7 | -22.5 | 0 | 0 | 0 | 112.5 | N817 E818 M824 K825 | N817-N821 WeakPolarHBondContact O-CB 3.39Å; N817-N821 PolarHBondContact O-N 2.98Å; N817-N821 PolarHBondContact O-ND2 2.91Å; E818-N821 PolarHBondContact O-N 3.47Å; N821-M824 PolarHBondContact O-N 3.29Å; N821-K825 WeakPolarHBondContact O-CB 3.42Å; N821-K825 PolarHBondContact O-N 3.49Å |
| 822 | L | 43 | Very low | 43.9 | Very low | 88 Ų | 88 | 108.4 Ų | 108.4 | 46% | 0.461 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -71.8 | -37.9 | 175.4 | -71.7 | 169.3 | 0 | 0 | 0 | 110.5 | E818 V819 K825 Y826 | E818-L822 WeakPolarHBondContact O-CA 3.49Å; E818-L822 WeakPolarHBondContact O-CB 3.35Å; E818-L822 WeakPolarHBondContact O-CD1 3.3Å; E818-L822 WeakPolarHBondContact O-CG 3.19Å; E818-L822 PolarHBondContact O-N 3.08Å; V819-L822 PolarHBondContact O-N 3.03Å; L822-K825 PolarHBondContact O-N 2.94Å; L822-Y826 HydrophobicContact CB-CD2 4.33Å; L822-Y826 HydrophobicContact CD2-CD2 3.9Å; L822-Y826 HydrophobicContact CD2-CE2 3.52Å; L822-Y826 VanDerWaalsContact O-CB 3.28Å; L822-Y826 WeakPolarHBondContact O-CB 3.43Å; L822-Y826 VanDerWaalsContact O-CD2 3.3Å; L822-Y826 WeakPolarHBondContact O-CD2 3.26Å; L822-Y826 PolarHBondContact O-N 3.07Å |
| 823 | L | 43.6 | Very low | 44.1 | Very low | 106 Ų | 106 | 105.5 Ų | 105.5 | 56% | 0.555 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.6 | -44.9 | 169.9 | -74 | 169.3 | 0 | 0 | 0 | 110 | V819 K825 A827 | V819-L823 HydrophobicContact CG1-CD1 3.74Å; V819-L823 HydrophobicContact CG1-CG 4.22Å; V819-L823 WeakPolarHBondContact O-CB 3.35Å; V819-L823 WeakPolarHBondContact O-CG 3.42Å; V819-L823 PolarHBondContact O-N 3.45Å; L823-K825 VanDerWaalsContact C-N 3.31Å; L823-K825 PolarHBondContact O-N 3.42Å; L823-A827 WeakPolarHBondContact O-CA 3.27Å; L823-A827 WeakPolarHBondContact O-CB 3.43Å; L823-A827 PolarHBondContact O-N 3.31Å |
| 824 | M | 46.7 | Very low | 44.4 | Very low | 146 Ų | 146 | 103.1 Ų | 103.1 | 72% | 0.719 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.1 | -31.7 | 176 | -72.6 | -66.3 | -71.7 | 0 | 0 | 113 | E820 N821 | E820-M824 VanDerWaalsContact O-CB 3.3Å; E820-M824 WeakPolarHBondContact O-CB 3.36Å; E820-M824 WeakPolarHBondContact O-CG 3.19Å; E820-M824 PolarHBondContact O-N 3.15Å; N821-M824 PolarHBondContact O-N 3.29Å |
| 825 | K | 39.5 | Very low | 44.4 | Very low | 154 Ų | 154 | 100.4 Ų | 100.4 | 67% | 0.67 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -83 | -28.6 | -178.4 | -165.3 | 177.1 | -170.8 | -179.3 | 0 | 113.3 | N821 L822 L823 | N821-K825 WeakPolarHBondContact O-CB 3.42Å; N821-K825 PolarHBondContact O-N 3.49Å; L822-K825 PolarHBondContact O-N 2.94Å; L823-K825 VanDerWaalsContact C-N 3.31Å; L823-K825 PolarHBondContact O-N 3.42Å |
| 826 | Y | 40.3 | Very low | 44.6 | Very low | 172 Ų | 172 | 100.5 Ų | 100.5 | 68% | 0.675 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -115.5 | -16.3 | -178.4 | -65.5 | -76.8 | 0 | 0 | 0 | 114.5 | L822 N828 | L822-Y826 HydrophobicContact CB-CD2 4.33Å; L822-Y826 HydrophobicContact CD2-CD2 3.9Å; L822-Y826 HydrophobicContact CD2-CE2 3.52Å; L822-Y826 VanDerWaalsContact O-CB 3.28Å; L822-Y826 WeakPolarHBondContact O-CB 3.43Å; L822-Y826 VanDerWaalsContact O-CD2 3.3Å; L822-Y826 WeakPolarHBondContact O-CD2 3.26Å; L822-Y826 PolarHBondContact O-N 3.07Å; Y826-N828 PolarHBondContact O-N 2.68Å |
| 827 | A | 41 | Very low | 45 | Very low | 48 Ų | 48 | 94.5 Ų | 94.5 | 40% | 0.397 | 50% | 0.5 | S | S | . | . | trans | -77.9 | 43.5 | 164 | 0 | 0 | 0 | 0 | 0 | 110.7 | L823 T829 | L823-A827 WeakPolarHBondContact O-CA 3.27Å; L823-A827 WeakPolarHBondContact O-CB 3.43Å; L823-A827 PolarHBondContact O-N 3.31Å; A827-T829 HydrophobicContact CB-CG2 4.27Å; A827-T829 PolarHBondContact O-N 2.84Å; A827-T829 PolarHBondContact O-OG1 3.42Å | ||
| 828 | N | 37 | Very low | 45.7 | Very low | 104 Ų | 104 | 92.5 Ų | 92.5 | 56% | 0.556 | 49% | 0.492 | S | S | * | . | trans | -66.6 | 50.8 | 151.5 | -123.3 | -6.9 | 0 | 0 | 0 | 108.5 | Y826 D830 A831 | Y826-N828 PolarHBondContact O-N 2.68Å; N828-D830 PolarHBondContact O-N 2.83Å; N828-D830 VanDerWaalsContact O-N 3.14Å; N828-A831 WeakPolarHBondContact O-CB 3.42Å; N828-A831 PolarHBondContact O-N 3.17Å | ||
| 829 | T | 41.7 | Very low | 46.7 | Very low | 79 Ų | 79 | 89.2 Ų | 89.2 | 49% | 0.485 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -56.5 | -24 | 172.5 | 44 | 0 | 0 | 0 | 0 | 110.4 | A827 A831 I832 L833 | A827-T829 HydrophobicContact CB-CG2 4.27Å; A827-T829 PolarHBondContact O-N 2.84Å; A827-T829 PolarHBondContact O-OG1 3.42Å; T829-A831 VanDerWaalsContact C-N 3.28Å; T829-A831 PolarHBondContact O-N 3.2Å; T829-I832 PolarHBondContact O-N 3.01Å; T829-I832 VanDerWaalsContact O-N 3.11Å; T829-L833 PolarHBondContact O-N 3.07Å |
| 830 | D | 45.7 | Very low | 47.9 | Very low | 67 Ų | 67 | 89.6 Ų | 89.6 | 36% | 0.358 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -57.9 | -35.9 | 170.5 | -74.9 | -14.8 | 0 | 0 | 0 | 112.5 | N828 N834 R948 | N828-D830 PolarHBondContact O-N 2.83Å; N828-D830 VanDerWaalsContact O-N 3.14Å; D830-N834 WeakPolarHBondContact O-CB 3.45Å; D830-N834 PolarHBondContact O-N 2.83Å; D830-N834 PolarHBondContact O-ND2 2.87Å; D830-R948 IonicContact OD1-NH2 3.55Å; D830-R948 PolarHBondContact OD1-NH2 3.35Å; D830-R948 IonicContact OD2-NH2 3.95Å |
| 831 | A | 42.8 | Very low | 49.3 | Very low | 60 Ų | 60 | 89.8 Ų | 89.8 | 50% | 0.496 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71.4 | -32.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N828 T829 S835 | N828-A831 WeakPolarHBondContact O-CB 3.42Å; N828-A831 PolarHBondContact O-N 3.17Å; T829-A831 VanDerWaalsContact C-N 3.28Å; T829-A831 PolarHBondContact O-N 3.2Å; A831-S835 PolarHBondContact O-N 3.48Å |
| 832 | I | 41.2 | Very low | 50.5 | Low | 116 Ų | 116 | 85.6 Ų | 85.6 | 60% | 0.595 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -75.8 | -39.7 | 177 | -61.2 | 175.3 | 0 | 0 | 0 | 110.2 | T829 S835 | T829-I832 PolarHBondContact O-N 3.01Å; T829-I832 VanDerWaalsContact O-N 3.11Å; I832-S835 PolarHBondContact O-N 3.35Å; I832-S835 PolarHBondContact O-OG 3.38Å |
| 833 | L | 43 | Very low | 51.8 | Low | 70 Ų | 70 | 90 Ų | 90 | 37% | 0.366 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69.7 | -40.8 | 174.6 | -110 | 103.8 | 0 | 0 | 0 | 112.6 | T792 T829 S835 I836 | T792-L833 HydrophobicContact CG2-CD2 3.83Å; T829-L833 PolarHBondContact O-N 3.07Å; L833-S835 PolarHBondContact O-N 3.49Å; L833-S835 VanDerWaalsContact O-N 3.17Å; L833-I836 PolarHBondContact O-N 3.33Å; L833-I836 VanDerWaalsContact O-N 3.11Å |
| 834 | N | 45.1 | Very low | 52.8 | Low | 88 Ų | 88 | 87.2 Ų | 87.2 | 47% | 0.471 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.2 | -21.7 | 174.4 | -73.3 | -23.6 | 0 | 0 | 0 | 112.3 | D830 I836 | D830-N834 WeakPolarHBondContact O-CB 3.45Å; D830-N834 PolarHBondContact O-N 2.83Å; D830-N834 PolarHBondContact O-ND2 2.87Å; N834-I836 VanDerWaalsContact C-N 3.31Å |
| 835 | S | 44.4 | Very low | 53.3 | Low | 93 Ų | 93 | 87.5 Ų | 87.5 | 65% | 0.65 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -9.8 | 177.2 | 77.1 | 0 | 0 | 0 | 0 | 114.5 | A831 I832 L833 | A831-S835 PolarHBondContact O-N 3.48Å; I832-S835 PolarHBondContact O-N 3.35Å; I832-S835 PolarHBondContact O-OG 3.38Å; L833-S835 PolarHBondContact O-N 3.49Å; L833-S835 VanDerWaalsContact O-N 3.17Å |
| 836 | I | 51.3 | Low | 53.9 | Low | 95 Ų | 95 | 85 Ų | 85 | 49% | 0.487 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -27 | -171.8 | -63.1 | 171.1 | 0 | 0 | 0 | 113.3 | L833 N834 L870 | L833-I836 PolarHBondContact O-N 3.33Å; L833-I836 VanDerWaalsContact O-N 3.11Å; N834-I836 VanDerWaalsContact C-N 3.31Å; I836-L870 HydrophobicContact CG2-CD2 4.2Å |
| 837 | I | 59.6 | Low | 54 | Low | 23 Ų | 23 | 84.4 Ų | 84.4 | 12% | 0.118 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -111.7 | 115.2 | 179.4 | -53 | 168.8 | 0 | 0 | 0 | 109.4 | F839 | I837-F839 HydrophobicContact CB-CE2 4.32Å; I837-F839 HydrophobicContact CG2-CE2 4.43Å; I837-F839 VanDerWaalsContact O-CD2 3.23Å; I837-F839 WeakPolarHBondContact O-CD2 3.44Å; I837-F839 PolarHBondContact O-N 3.3Å |
| 838 | P | 63.7 | Low | 54.3 | Low | 59 Ų | 59 | 86.5 Ų | 86.5 | 38% | 0.383 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 116.7 | -179.5 | 25.7 | -31.2 | 0 | 0 | 0 | 110.9 | S866 Q867 | P838-S866 PolarHBondContact O-N 2.95Å; P838-S866 PolarHBondContact O-OG 2.86Å; P838-Q867 HydrophobicContact CG-CG 3.96Å |
| 839 | F | 70.8 | Confident | 54.5 | Low | 47 Ų | 47 | 86.7 Ų | 86.7 | 21% | 0.206 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 138.4 | 166.8 | -72.7 | -102.8 | 0 | 0 | 0 | 109.8 | I837 R863 I864 P865 | I837-F839 HydrophobicContact CB-CE2 4.32Å; I837-F839 HydrophobicContact CG2-CE2 4.43Å; I837-F839 VanDerWaalsContact O-CD2 3.23Å; I837-F839 WeakPolarHBondContact O-CD2 3.44Å; I837-F839 PolarHBondContact O-N 3.3Å; F839-R863 HydrophobicContact CB-CB 3.9Å; F839-R863 HydrophobicContact CB-CG 4.35Å; F839-R863 HydrophobicContact CD1-CB 3.91Å; F839-R863 HydrophobicContact CG-CB 4.14Å; F839-I864 CarbonylContact C-O 3.5Å; F839-I864 WeakPolarHBondContact CA-O 3.45Å; F839-I864 VanDerWaalsContact CD1-C 3.48Å; F839-P865 HydrophobicContact CD1-CB 4.19Å; F839-P865 HydrophobicContact CE1-CB 3.86Å; F839-P865 HydrophobicContact CE1-CG 4.34Å; F839-P865 HydrophobicContact CZ-CB 4.42Å |
| 840 | E | 75.1 | Confident | 54.5 | Low | 66 Ų | 66 | 91.2 Ų | 91.2 | 31% | 0.308 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 119 | 167.6 | -173.7 | 177.1 | -168.7 | 0 | 0 | 108.7 | I864 R1016 N1017 | E840-I864 PolarHBondContact N-O 2.9Å; E840-I864 PolarHBondContact O-N 3.42Å; E840-R1016 IonicContact OE1-CZ 3.21Å; E840-R1016 IonicContact OE1-NH1 2.6Å; E840-R1016 IonicContact OE1-NH2 3.31Å; E840-R1016 PolarHBondContact OE1-NH2 2.72Å; E840-R1016 IonicContact OE2-CZ 3.19Å; E840-R1016 IonicContact OE2-NH2 3Å; E840-R1016 PolarHBondContact OE2-NH2 3.29Å; E840-N1017 PolarHBondContact OE2-ND2 3.25Å; E840-N1017 PolarHBondContact OE2-OD1 2.9Å; E840-N1017 VanDerWaalsContact OE2-OD1 3.11Å |
| 841 | E | 76 | Confident | 54 | Low | 97 Ų | 97 | 92.9 Ų | 92.9 | 45% | 0.453 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 117.4 | 177.1 | -62.9 | -163 | 150.9 | 0 | 0 | 110.1 | V861 R863 | E841-V861 HydrophobicContact CB-CG1 3.78Å; E841-V861 HydrophobicContact CG-CG1 4.1Å; E841-R863 HydrophobicContact CG-CG 4.17Å; E841-R863 IonicContact OE1-CZ 3.14Å; E841-R863 VanDerWaalsContact OE1-CZ 3.31Å; E841-R863 IonicContact OE1-NE 3.68Å; E841-R863 PolarHBondContact OE1-NE 3.13Å; E841-R863 IonicContact OE1-NH2 3.07Å; E841-R863 PolarHBondContact OE1-NH2 3.03Å |
| 842 | V | 70.2 | Confident | 53.9 | Low | 19 Ų | 19 | 95.8 Ų | 95.8 | 12% | 0.115 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 112.3 | 174.6 | 178.5 | 0 | 0 | 0 | 0 | 107.7 | V862 I864 V1009 K1013 | V842-V862 PolarHBondContact N-O 3.33Å; V842-V862 PolarHBondContact O-N 3.16Å; V842-I864 HydrophobicContact CG2-CD1 3.61Å; V842-I864 HydrophobicContact CG2-CG1 4.12Å; V842-V1009 HydrophobicContact CG1-CG1 4.3Å; V842-K1013 HydrophobicContact CG1-CD 4.36Å; V842-K1013 VanDerWaalsContact CG1-NZ 3.26Å; V842-K1013 HydrophobicContact CG2-CD 3.92Å |
| 843 | R | 70.3 | Confident | 53.9 | Low | 180 Ų | 180 | 98.2 Ų | 98.2 | 68% | 0.679 | 53% | 0.525 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 119.2 | 172.1 | -64 | -176.8 | -179.7 | 179.9 | -0.9 | 108.7 | V861 | R843-V861 HydrophobicContact CG-CG2 4.23Å |
| 844 | L | 64.4 | Low | 54 | Low | 49 Ų | 49 | 101 Ų | 101 | 26% | 0.257 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 112.5 | 168.6 | -67.9 | 174.1 | 0 | 0 | 0 | 107.4 | I846 A860 V862 V1009 | L844-I846 PolarHBondContact O-N 3.32Å; L844-A860 HydrophobicContact CB-CB 4.33Å; L844-A860 PolarHBondContact N-O 3.22Å; L844-A860 PolarHBondContact O-N 3.27Å; L844-V862 HydrophobicContact CD1-CG2 3.68Å; L844-V862 HydrophobicContact CG-CG2 4.42Å; L844-V1009 HydrophobicContact CD1-CG1 4.32Å; L844-V1009 HydrophobicContact CD1-CG2 4.14Å; L844-V1009 HydrophobicContact CD2-CG1 3.79Å; L844-V1009 HydrophobicContact CD2-CG2 4.01Å; L844-V1009 HydrophobicContact CG-CG1 4.43Å |
| 845 | E | 56.2 | Low | 53.9 | Low | 152 Ų | 152 | 104.2 Ų | 104.2 | 71% | 0.71 | 56% | 0.562 | S | S | * | * | trans | -76 | 110.1 | 172.2 | -67.6 | -177.4 | 173.8 | 0 | 0 | 108.1 | H847 | E845-H847 PolarHBondContact O-N 3.41Å; E845-H847 VanDerWaalsContact O-N 3.13Å; E845-H847 IonicContact OE2-CE1 3.92Å | ||
| 846 | I | 53.3 | Low | 53.6 | Low | 100 Ų | 100 | 103.3 Ų | 103.3 | 51% | 0.513 | 57% | 0.567 | S | S | . | * | trans | -78.2 | 96.5 | 173.8 | -54.5 | 175.7 | 0 | 0 | 0 | 106.3 | L844 S848 A860 | L844-I846 PolarHBondContact O-N 3.32Å; I846-S848 PolarHBondContact O-N 2.91Å; I846-A860 HydrophobicContact CD1-CB 4.18Å | ||
| 847 | H | 42.3 | Very low | 53.1 | Low | 160 Ų | 160 | 106 Ų | 106 | 74% | 0.741 | 58% | 0.583 | S | S | * | * | trans | -75.2 | 68.7 | 167.3 | -63.2 | -47.8 | 0 | 0 | 0 | 109.4 | E845 S849 | E845-H847 PolarHBondContact O-N 3.41Å; E845-H847 VanDerWaalsContact O-N 3.13Å; E845-H847 IonicContact OE2-CE1 3.92Å; H847-S849 VanDerWaalsContact C-N 3.29Å; H847-S849 PolarHBondContact O-N 3.43Å; H847-S849 VanDerWaalsContact O-N 3.07Å | ||
| 848 | S | 45.6 | Very low | 52.3 | Low | 93 Ų | 93 | 109.4 Ų | 109.4 | 65% | 0.65 | 61% | 0.608 | S | S | * | * | trans | -78.4 | 87.9 | 165.2 | 55.1 | 0 | 0 | 0 | 0 | 107.9 | I846 E850 | I846-S848 PolarHBondContact O-N 2.91Å; S848-E850 PolarHBondContact O-N 3.01Å | ||
| 849 | S | 42.5 | Very low | 51.7 | Low | 108 Ų | 108 | 109.4 Ų | 109.4 | 76% | 0.755 | 61% | 0.609 | S | S | * | * | trans | -69 | 78.4 | 164.4 | 54.7 | 0 | 0 | 0 | 0 | 108.8 | H847 | H847-S849 VanDerWaalsContact C-N 3.29Å; H847-S849 PolarHBondContact O-N 3.43Å; H847-S849 VanDerWaalsContact O-N 3.07Å | ||
| 850 | E | 40.5 | Very low | 51.4 | Low | 174 Ų | 174 | 109 Ų | 109 | 81% | 0.813 | 62% | 0.615 | S | S | * | * | trans | -169.5 | 92.9 | 162.1 | -106.1 | 161.4 | -141.3 | 0 | 0 | 109.6 | S848 | S848-E850 PolarHBondContact O-N 3.01Š| ||
| 851 | S | 36.8 | Very low | 51.2 | Low | 102 Ų | 102 | 109 Ų | 109 | 71% | 0.713 | 62% | 0.619 | S | S | * | * | trans | 35.7 | 131.2 | 143.1 | 60.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 852 | T | 40.7 | Very low | 51.1 | Low | 120 Ų | 120 | 104.8 Ų | 104.8 | 74% | 0.736 | 60% | 0.6 | S | S | * | * | trans | 102.7 | 92.5 | 152.8 | 68.8 | 0 | 0 | 0 | 0 | 118.4 | V854 | T852-V854 PolarHBondContact O-N 3.34Š| ||
| 853 | D | 40.5 | Very low | 51.4 | Low | 168 Ų | 168 | 110 Ų | 110 | 90% | 0.898 | 62% | 0.618 | S | S | * | * | 51.4 | 40.5 | 129.5 | -63.9 | -10.6 | 0 | 0 | 0 | 121.2 | |||||
| 854 | V | 44.8 | Very low | 52 | Low | 128 Ų | 128 | 101.4 Ų | 101.4 | 78% | 0.776 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -131.1 | 112.3 | 158.4 | -170.5 | 0 | 0 | 0 | 0 | 109.7 | T852 G856 | T852-V854 PolarHBondContact O-N 3.34Å; V854-G856 PolarHBondContact O-N 3.09Å |
| 855 | D | 43.2 | Very low | 53 | Low | 155 Ų | 155 | 99.1 Ų | 99.1 | 83% | 0.829 | 57% | 0.573 | S | S | * | * | trans | 20.3 | 81.8 | 168.4 | -66.8 | -25.7 | 0 | 0 | 0 | 115.9 | N857 | D855-N857 VanDerWaalsContact C-N 3.28Å; D855-N857 PolarHBondContact O-N 3.08Å | ||
| 856 | G | 39 | Very low | 54.4 | Low | 74 Ų | 74 | 93.4 Ų | 93.4 | 76% | 0.763 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -69.8 | 60.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | V854 | V854-G856 PolarHBondContact O-N 3.09Š|
| 857 | N | 40.7 | Very low | 55.9 | Low | 153 Ų | 153 | 93.2 Ų | 93.2 | 82% | 0.818 | 55% | 0.547 | S | S | * | . | trans | -148.3 | 38.3 | 169.7 | -92.7 | -22 | 0 | 0 | 0 | 112.9 | D855 S859 | D855-N857 VanDerWaalsContact C-N 3.28Å; D855-N857 PolarHBondContact O-N 3.08Å; N857-S859 PolarHBondContact O-N 3.29Å | ||
| 858 | S | 41.3 | Very low | 58 | Low | 93 Ų | 93 | 86.2 Ų | 86.2 | 65% | 0.65 | 52% | 0.515 | S | S | * | . | trans | -76 | 63.8 | 171.2 | 51.4 | 0 | 0 | 0 | 0 | 111.5 | A860 | S858-A860 PolarHBondContact O-N 2.86Š| ||
| 859 | S | 51.5 | Low | 59.8 | Low | 59 Ų | 59 | 81.8 Ų | 81.8 | 41% | 0.413 | 48% | 0.484 | S | S | . | . | trans | -69.7 | 116.2 | 169 | 62.7 | 0 | 0 | 0 | 0 | 109.2 | N857 V861 | N857-S859 PolarHBondContact O-N 3.29Å; S859-V861 PolarHBondContact O-N 2.86Å | ||
| 860 | A | 65.4 | Low | 61.8 | Low | 40 Ų | 40 | 79.9 Ų | 79.9 | 33% | 0.331 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 121.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | L844 I846 S858 | L844-A860 HydrophobicContact CB-CB 4.33Å; L844-A860 PolarHBondContact N-O 3.22Å; L844-A860 PolarHBondContact O-N 3.27Å; I846-A860 HydrophobicContact CD1-CB 4.18Å; S858-A860 PolarHBondContact O-N 2.86Å |
| 861 | V | 70.1 | Confident | 63.9 | Low | 64 Ų | 64 | 71.7 Ų | 71.7 | 39% | 0.388 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 114.6 | 179.9 | -176 | 0 | 0 | 0 | 0 | 108.9 | E841 R843 S859 | E841-V861 HydrophobicContact CB-CG1 3.78Å; E841-V861 HydrophobicContact CG-CG1 4.1Å; R843-V861 HydrophobicContact CG-CG2 4.23Å; S859-V861 PolarHBondContact O-N 2.86Å |
| 862 | V | 73.7 | Confident | 66.3 | Low | 9 Ų | 9 | 67 Ų | 67 | 6% | 0.055 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 127.9 | 174.1 | -172.3 | 0 | 0 | 0 | 0 | 109 | V842 L844 D1006 C1010 | V842-V862 PolarHBondContact N-O 3.33Å; V842-V862 PolarHBondContact O-N 3.16Å; L844-V862 HydrophobicContact CD1-CG2 3.68Å; L844-V862 HydrophobicContact CG-CG2 4.42Å; V862-D1006 HydrophobicContact CG1-CB 4.49Å; V862-D1006 WeakPolarHBondContact CG2-OD1 2.99Å; V862-C1010 WeakPolarHBondContact CG1-SG 3.33Å |
| 863 | R | 77.1 | Confident | 68.5 | Low | 129 Ų | 129 | 63.8 Ų | 63.8 | 49% | 0.487 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 119.1 | -178.8 | -73.6 | -174 | 172.6 | 166.9 | 1.1 | 110.1 | F839 E841 | F839-R863 HydrophobicContact CB-CB 3.9Å; F839-R863 HydrophobicContact CB-CG 4.35Å; F839-R863 HydrophobicContact CD1-CB 3.91Å; F839-R863 HydrophobicContact CG-CB 4.14Å; E841-R863 HydrophobicContact CG-CG 4.17Å; E841-R863 IonicContact OE1-CZ 3.14Å; E841-R863 VanDerWaalsContact OE1-CZ 3.31Å; E841-R863 IonicContact OE1-NE 3.68Å; E841-R863 PolarHBondContact OE1-NE 3.13Å; E841-R863 IonicContact OE1-NH2 3.07Å; E841-R863 PolarHBondContact OE1-NH2 3.03Å |
| 864 | I | 82.4 | Confident | 70.6 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 128.8 | -179.4 | -53.2 | -176.4 | 0 | 0 | 0 | 109.3 | F839 E840 V842 S866 C1010 K1013 L1014 | F839-I864 CarbonylContact C-O 3.5Å; F839-I864 WeakPolarHBondContact CA-O 3.45Å; F839-I864 VanDerWaalsContact CD1-C 3.48Å; E840-I864 PolarHBondContact N-O 2.9Å; E840-I864 PolarHBondContact O-N 3.42Å; V842-I864 HydrophobicContact CG2-CD1 3.61Å; V842-I864 HydrophobicContact CG2-CG1 4.12Å; I864-S866 PolarHBondContact O-N 3.12Å; I864-C1010 HydrophobicContact CD1-CB 4.18Å; I864-C1010 HydrophobicContact CG1-CB 4.44Å; I864-K1013 HydrophobicContact CD1-CB 3.52Å; I864-K1013 HydrophobicContact CD1-CD 3.7Å; I864-K1013 HydrophobicContact CD1-CG 4.23Å; I864-L1014 HydrophobicContact CG2-CB 4.13Å |
| 865 | P | 85.1 | Confident | 72.7 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 138.6 | 177.6 | 27 | -36.1 | 0 | 0 | 0 | 111.1 | F839 L950 F954 L1014 N1017 | F839-P865 HydrophobicContact CD1-CB 4.19Å; F839-P865 HydrophobicContact CE1-CB 3.86Å; F839-P865 HydrophobicContact CE1-CG 4.34Å; F839-P865 HydrophobicContact CZ-CB 4.42Å; P865-L950 HydrophobicContact CG-CB 4.31Å; P865-L950 WeakPolarHBondContact CG-O 3.47Å; P865-F954 HydrophobicContact CB-CB 4.1Å; P865-F954 HydrophobicContact CB-CD2 4.21Å; P865-F954 HydrophobicContact CB-CG 4.18Å; P865-F954 HydrophobicContact CG-CB 3.65Å; P865-F954 HydrophobicContact CG-CD2 4.06Å; P865-F954 HydrophobicContact CG-CG 4.1Å; P865-L1014 HydrophobicContact CG-CD1 4.23Å; P865-N1017 PolarHBondContact O-ND2 2.96Å |
| 866 | S | 85 | Confident | 74.9 | Confident | 32 Ų | 32 | 46 Ų | 46 | 22% | 0.224 | 27% | 0.269 | C | S | . | . | trans | -114.1 | -6.7 | 179.5 | 74.3 | 0 | 0 | 0 | 0 | 113.7 | P838 I864 T1021 | P838-S866 PolarHBondContact O-N 2.95Å; P838-S866 PolarHBondContact O-OG 2.86Å; I864-S866 PolarHBondContact O-N 3.12Å; S866-T1021 PolarHBondContact O-OG1 3.14Å | ||
| 867 | Q | 85.2 | Confident | 77.2 | Confident | 97 Ų | 97 | 45.2 Ų | 45.2 | 45% | 0.453 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -142.9 | 162 | -176.8 | -65.9 | -175.3 | -2 | 0 | 0 | 110.8 | P838 Q951 F954 | P838-Q867 HydrophobicContact CG-CG 3.96Å; Q867-Q951 PolarHBondContact O-NE2 2.94Å; Q867-F954 WeakPolarHBondContact O-CD1 3.16Å; Q867-F954 VanDerWaalsContact O-CE1 3.29Å; Q867-F954 WeakPolarHBondContact O-CE1 3.49Å |
| 868 | L | 86.6 | Confident | 79.4 | Confident | 13 Ų | 13 | 39.4 Ų | 39.4 | 7% | 0.068 | 22% | 0.216 | C | C | . | . | trans | -61.3 | 151.2 | 171.3 | -82.7 | 142.1 | 0 | 0 | 0 | 110.9 | T872 H873 F954 D955 F958 Y1029 | L868-T872 WeakPolarHBondContact CD2-OG1 3.39Å; L868-H873 HydrophobicContact CB-CB 4.33Å; L868-F954 HydrophobicContact CG-CE1 4.29Å; L868-D955 WeakPolarHBondContact CA-OD1 3.36Å; L868-D955 HydrophobicContact CD2-CB 4.49Å; L868-F958 HydrophobicContact CD1-CD1 3.74Å; L868-F958 HydrophobicContact CD1-CD2 4Å; L868-F958 HydrophobicContact CD1-CE1 3.5Å; L868-F958 HydrophobicContact CD1-CE2 3.77Å; L868-F958 HydrophobicContact CD1-CG 4Å; L868-F958 HydrophobicContact CD1-CZ 3.56Å; L868-F958 HydrophobicContact CD2-CB 4.15Å; L868-F958 HydrophobicContact CD2-CD1 3.57Å; L868-F958 HydrophobicContact CD2-CE1 4.15Å; L868-F958 HydrophobicContact CD2-CG 3.84Å; L868-F958 HydrophobicContact CG-CD1 3.96Å; L868-F958 HydrophobicContact CG-CD2 4.18Å; L868-F958 HydrophobicContact CG-CE1 4.25Å; L868-F958 HydrophobicContact CG-CE2 4.45Å; L868-F958 HydrophobicContact CG-CG 3.95Å; L868-Y1029 HydrophobicContact CD1-CE2 4.46Å; L868-Y1029 WeakPolarHBondContact CD1-OH 3.42Å | ||
| 869 | S | 84.3 | Confident | 81.6 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -61.1 | 144.5 | 167.2 | 66.5 | 0 | 0 | 0 | 0 | 110.6 | P871 T872 H873 Q951 D955 | S869-P871 VanDerWaalsContact C-CD 3.46Å; S869-T872 PolarHBondContact N-OG1 3.3Å; S869-T872 PolarHBondContact O-N 2.9Å; S869-T872 VanDerWaalsContact O-N 3.13Å; S869-T872 PolarHBondContact O-OG1 3.37Å; S869-T872 VanDerWaalsContact OG-CG2 3.26Å; S869-T872 WeakPolarHBondContact OG-CG2 3.49Å; S869-T872 PolarHBondContact OG-OG1 2.99Å; S869-H873 PolarHBondContact O-N 3.33Å; S869-Q951 VanDerWaalsContact N-NE2 3.13Å; S869-D955 WeakPolarHBondContact CB-OD2 3.28Å; S869-D955 PolarHBondContact N-OD1 3.3Å; S869-D955 PolarHBondContact OG-OD2 3.1Å | ||
| 870 | L | 83.4 | Confident | 83.2 | Confident | 67 Ų | 67 | 33.3 Ų | 33.3 | 35% | 0.351 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -56.4 | -42.7 | -178.2 | -171.7 | 69.1 | 0 | 0 | 0 | 112.9 | I836 T872 H873 H874 | I836-L870 HydrophobicContact CG2-CD2 4.2Å; L870-T872 VanDerWaalsContact C-N 3.31Å; L870-T872 PolarHBondContact O-N 3.36Å; L870-H873 PolarHBondContact O-N 3.13Å; L870-H874 WeakPolarHBondContact CD1-NE2 3.44Å; L870-H874 WeakPolarHBondContact CG-NE2 3.43Å; L870-H874 WeakPolarHBondContact O-CB 3.24Å; L870-H874 PolarHBondContact O-CD2 3.45Å; L870-H874 PolarHBondContact O-N 3.49Å |
| 871 | P | 84.6 | Confident | 84.1 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.019 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.6 | -39.5 | 176.9 | -24.7 | 35.4 | 0 | 0 | 0 | 113.2 | F785 S788 L789 T792 S869 H874 L875 | F785-P871 HydrophobicContact CD2-CB 4.35Å; F785-P871 HydrophobicContact CE2-CB 4.13Å; S788-P871 WeakPolarHBondContact OG-CB 3.33Å; S788-P871 WeakPolarHBondContact OG-CG 3.44Å; L789-P871 HydrophobicContact CD2-CB 3.83Å; L789-P871 HydrophobicContact CD2-CG 4.2Å; L789-P871 HydrophobicContact CG-CB 4.22Å; T792-P871 HydrophobicContact CG2-CG 4.5Å; T792-P871 WeakPolarHBondContact OG1-CG 3.48Å; S869-P871 VanDerWaalsContact C-CD 3.46Å; P871-H874 PolarHBondContact O-N 3.3Å; P871-L875 WeakPolarHBondContact O-CB 3.47Å; P871-L875 PolarHBondContact O-N 3.25Å |
| 872 | T | 87.3 | Confident | 84.7 | Confident | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.012 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -76.2 | -38.7 | -177.5 | 56.7 | 0 | 0 | 0 | 0 | 112.4 | F785 L789 L868 S869 L870 H874 L875 L876 Y912 | F785-T872 HydrophobicContact CE2-CG2 3.77Å; F785-T872 HydrophobicContact CZ-CG2 3.65Å; L789-T872 HydrophobicContact CD2-CG2 4.14Å; L868-T872 WeakPolarHBondContact CD2-OG1 3.39Å; S869-T872 PolarHBondContact N-OG1 3.3Å; S869-T872 PolarHBondContact O-N 2.9Å; S869-T872 VanDerWaalsContact O-N 3.13Å; S869-T872 PolarHBondContact O-OG1 3.37Å; S869-T872 VanDerWaalsContact OG-CG2 3.26Å; S869-T872 WeakPolarHBondContact OG-CG2 3.49Å; S869-T872 PolarHBondContact OG-OG1 2.99Å; L870-T872 VanDerWaalsContact C-N 3.31Å; L870-T872 PolarHBondContact O-N 3.36Å; T872-H874 VanDerWaalsContact C-N 3.33Å; T872-H874 PolarHBondContact O-N 3.4Å; T872-L875 PolarHBondContact O-N 3.47Å; T872-L876 WeakPolarHBondContact O-CB 3.23Å; T872-L876 WeakPolarHBondContact O-CG 3.29Å; T872-L876 PolarHBondContact O-N 3Å; T872-Y912 HydrophobicContact CG2-CE2 4.26Å; T872-Y912 WeakPolarHBondContact CG2-OH 3.49Å |
| 873 | H | 87.9 | Confident | 85.1 | Confident | 53 Ų | 53 | 35.7 Ų | 35.7 | 25% | 0.245 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.7 | -49.4 | 170.1 | -177.4 | 53.8 | 0 | 0 | 0 | 110.9 | L868 S869 L870 L875 L876 L877 Y1029 | L868-H873 HydrophobicContact CB-CB 4.33Å; S869-H873 PolarHBondContact O-N 3.33Å; L870-H873 PolarHBondContact O-N 3.13Å; H873-L875 PolarHBondContact O-N 3.14Å; H873-L876 PolarHBondContact O-N 2.94Å; H873-L877 WeakPolarHBondContact NE2-CD1 3.34Å; H873-L877 WeakPolarHBondContact O-CG 3.5Å; H873-L877 PolarHBondContact O-N 3.37Å; H873-Y1029 PolarHBondContact CE1-OH 3.08Å; H873-Y1029 AromaticContact ND1-CZ 3.79Å; H873-Y1029 PolarHBondContact ND1-OH 3.23Å |
| 874 | H | 85 | Confident | 85.2 | Confident | 74 Ų | 74 | 30.9 Ų | 30.9 | 34% | 0.343 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -61.8 | -43.5 | 178.1 | -79.9 | -53.3 | 0 | 0 | 0 | 113 | F470 L870 P871 T872 L877 N878 | F470-H874 HydrophobicContact CD2-CB 4.15Å; F470-H874 HydrophobicContact CE2-CB 3.59Å; F470-H874 HydrophobicContact CZ-CB 4.42Å; L870-H874 WeakPolarHBondContact CD1-NE2 3.44Å; L870-H874 WeakPolarHBondContact CG-NE2 3.43Å; L870-H874 WeakPolarHBondContact O-CB 3.24Å; L870-H874 PolarHBondContact O-CD2 3.45Å; L870-H874 PolarHBondContact O-N 3.49Å; P871-H874 PolarHBondContact O-N 3.3Å; T872-H874 VanDerWaalsContact C-N 3.33Å; T872-H874 PolarHBondContact O-N 3.4Å; H874-L877 PolarHBondContact O-N 3.3Å; H874-N878 WeakPolarHBondContact O-CB 3.27Å; H874-N878 PolarHBondContact O-N 3.44Å |
| 875 | L | 88.1 | Confident | 85 | Confident | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.5 | -46.1 | 177.6 | -177 | 78.7 | 0 | 0 | 0 | 111.5 | I781 F785 P871 T872 H873 L877 N878 I879 L908 | I781-L875 HydrophobicContact CG2-CD1 3.63Å; F785-L875 HydrophobicContact CB-CD1 4.26Å; F785-L875 HydrophobicContact CD1-CD2 4.06Å; F785-L875 HydrophobicContact CD2-CB 3.8Å; F785-L875 HydrophobicContact CD2-CD1 4.37Å; F785-L875 HydrophobicContact CD2-CD2 3.92Å; F785-L875 HydrophobicContact CD2-CG 4.24Å; F785-L875 HydrophobicContact CE1-CD2 4.08Å; F785-L875 HydrophobicContact CE2-CB 3.91Å; F785-L875 HydrophobicContact CE2-CD2 3.94Å; F785-L875 HydrophobicContact CE2-CG 4.49Å; F785-L875 HydrophobicContact CG-CD1 4.32Å; F785-L875 HydrophobicContact CG-CD2 3.97Å; F785-L875 HydrophobicContact CG-CG 4.49Å; F785-L875 HydrophobicContact CZ-CD2 3.99Å; P871-L875 WeakPolarHBondContact O-CB 3.47Å; P871-L875 PolarHBondContact O-N 3.25Å; T872-L875 PolarHBondContact O-N 3.47Å; H873-L875 PolarHBondContact O-N 3.14Å; L875-L877 VanDerWaalsContact C-N 3.29Å; L875-L877 PolarHBondContact O-N 3.26Å; L875-N878 WeakPolarHBondContact O-CA 3.49Å; L875-N878 WeakPolarHBondContact O-CB 3.39Å; L875-N878 PolarHBondContact O-N 3.08Å; L875-I879 HydrophobicContact CD2-CD1 4.32Å; L875-I879 HydrophobicContact CG-CD1 4.11Å; L875-I879 HydrophobicContact CG-CG1 4.49Å; L875-I879 WeakPolarHBondContact O-CG1 3.47Å; L875-I879 PolarHBondContact O-N 3.12Å; L875-L908 HydrophobicContact CD2-CD1 4.25Å; L875-L908 HydrophobicContact CD2-CD2 3.06Å; L875-L908 HydrophobicContact CD2-CG 4.19Å |
| 876 | L | 88.9 | Confident | 84.7 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.2 | -43.1 | 178 | -73 | 174.6 | 0 | 0 | 0 | 111.2 | T872 H873 N878 I879 V880 F958 L959 L962 Y1029 I1032 | T872-L876 WeakPolarHBondContact O-CB 3.23Å; T872-L876 WeakPolarHBondContact O-CG 3.29Å; T872-L876 PolarHBondContact O-N 3Å; H873-L876 PolarHBondContact O-N 2.94Å; L876-N878 VanDerWaalsContact C-N 3.33Å; L876-N878 PolarHBondContact O-N 3.14Å; L876-I879 PolarHBondContact O-N 2.89Å; L876-V880 WeakPolarHBondContact O-CG2 3.44Å; L876-V880 PolarHBondContact O-N 3.46Å; L876-F958 HydrophobicContact CD1-CE1 3.99Å; L876-L959 HydrophobicContact CD1-CD2 4.04Å; L876-L959 HydrophobicContact CD2-CD2 3.95Å; L876-L959 HydrophobicContact CG-CD2 4.31Å; L876-L962 HydrophobicContact CD1-CD2 4.3Å; L876-L962 HydrophobicContact CD2-CD2 4.38Å; L876-Y1029 HydrophobicContact CB-CD1 3.72Å; L876-Y1029 HydrophobicContact CB-CE1 3.4Å; L876-Y1029 HydrophobicContact CD1-CD1 4.39Å; L876-Y1029 HydrophobicContact CD1-CE1 3.95Å; L876-Y1029 HydrophobicContact CD1-CE2 4.33Å; L876-Y1029 HydrophobicContact CG-CE1 4.33Å; L876-I1032 HydrophobicContact CD2-CD1 4.48Å |
| 877 | L | 87.6 | Confident | 84.2 | Confident | 58 Ų | 58 | 31.4 Ų | 31.4 | 30% | 0.304 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -63.7 | -37.9 | 174 | -70 | 179.4 | 0 | 0 | 0 | 112.4 | H873 H874 L875 I879 V880 Y881 L1028 Y1029 | H873-L877 WeakPolarHBondContact NE2-CD1 3.34Å; H873-L877 WeakPolarHBondContact O-CG 3.5Å; H873-L877 PolarHBondContact O-N 3.37Å; H874-L877 PolarHBondContact O-N 3.3Å; L875-L877 VanDerWaalsContact C-N 3.29Å; L875-L877 PolarHBondContact O-N 3.26Å; L877-I879 VanDerWaalsContact C-N 3.34Å; L877-V880 PolarHBondContact O-N 2.93Å; L877-Y881 WeakPolarHBondContact O-CB 3.29Å; L877-Y881 PolarHBondContact O-N 2.96Å; L877-L1028 HydrophobicContact CD2-CB 4.24Å; L877-Y1029 HydrophobicContact CD2-CD1 4.48Å; L877-Y1029 HydrophobicContact CD2-CE1 4.08Å; L877-Y1029 HydrophobicContact CG-CE1 4.33Å |
| 878 | N | 86.4 | Confident | 83.7 | Confident | 31 Ų | 31 | 28.2 Ų | 28.2 | 17% | 0.166 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.5 | -39.4 | 175.6 | -171.7 | 35.3 | 0 | 0 | 0 | 111.7 | H874 L875 L876 Y881 T882 | H874-N878 WeakPolarHBondContact O-CB 3.27Å; H874-N878 PolarHBondContact O-N 3.44Å; L875-N878 WeakPolarHBondContact O-CA 3.49Å; L875-N878 WeakPolarHBondContact O-CB 3.39Å; L875-N878 PolarHBondContact O-N 3.08Å; L876-N878 VanDerWaalsContact C-N 3.33Å; L876-N878 PolarHBondContact O-N 3.14Å; N878-Y881 PolarHBondContact O-N 3.43Å; N878-T882 VanDerWaalsContact O-CB 3.27Å; N878-T882 WeakPolarHBondContact O-CB 3.34Å; N878-T882 PolarHBondContact O-N 3.49Å; N878-T882 PolarHBondContact O-OG1 3.49Å |
| 879 | I | 87.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.2 | -47.3 | 173.9 | -65.2 | 166.3 | 0 | 0 | 0 | 110 | A776 V777 L875 L876 L877 Y881 T882 M883 F900 V904 I1032 | A776-I879 HydrophobicContact CB-CG1 4.36Å; A776-I879 HydrophobicContact CB-CG2 4.32Å; V777-I879 HydrophobicContact CG2-CD1 4.22Å; V777-I879 HydrophobicContact CG2-CG1 4.4Å; L875-I879 HydrophobicContact CD2-CD1 4.32Å; L875-I879 HydrophobicContact CG-CD1 4.11Å; L875-I879 HydrophobicContact CG-CG1 4.49Å; L875-I879 WeakPolarHBondContact O-CG1 3.47Å; L875-I879 PolarHBondContact O-N 3.12Å; L876-I879 PolarHBondContact O-N 2.89Å; L877-I879 VanDerWaalsContact C-N 3.34Å; I879-Y881 VanDerWaalsContact C-N 3.33Å; I879-Y881 PolarHBondContact O-N 3.27Å; I879-T882 PolarHBondContact O-N 3.2Å; I879-M883 HydrophobicContact CG2-CG 4.47Å; I879-M883 HydrophobicContact CG2-SD 4.28Å; I879-M883 WeakPolarHBondContact O-CB 3.42Å; I879-M883 VanDerWaalsContact O-CG 3.32Å; I879-M883 WeakPolarHBondContact O-CG 3.38Å; I879-M883 PolarHBondContact O-N 3.14Å; I879-F900 HydrophobicContact CG2-CE1 4.29Å; I879-F900 HydrophobicContact CG2-CZ 4.07Å; I879-V904 HydrophobicContact CD1-CG1 3.82Å; I879-I1032 HydrophobicContact CB-CD1 3.87Å; I879-I1032 HydrophobicContact CG2-CD1 3.56Å; I879-I1032 HydrophobicContact CG2-CG1 3.93Å |
| 880 | V | 85.1 | Confident | 82 | Confident | 24 Ų | 24 | 35.4 Ų | 35.4 | 15% | 0.145 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.3 | -48 | 175.5 | 173.4 | 0 | 0 | 0 | 0 | 111 | L876 L877 T882 M883 G884 L1028 Y1029 P1031 I1032 | L876-V880 WeakPolarHBondContact O-CG2 3.44Å; L876-V880 PolarHBondContact O-N 3.46Å; L877-V880 PolarHBondContact O-N 2.93Å; V880-T882 VanDerWaalsContact C-N 3.34Å; V880-T882 PolarHBondContact O-N 3.18Å; V880-M883 PolarHBondContact O-N 3.46Å; V880-G884 PolarHBondContact O-N 2.87Å; V880-L1028 WeakPolarHBondContact CG2-O 3.49Å; V880-Y1029 HydrophobicContact CG2-CD1 4.25Å; V880-P1031 HydrophobicContact CG1-CB 4.46Å; V880-P1031 HydrophobicContact CG1-CG 3.89Å; V880-I1032 HydrophobicContact CG2-CD1 3.46Å; V880-I1032 VanDerWaalsContact CG2-CD1 3.46Å; V880-I1032 HydrophobicContact CG2-CG1 3.81Å |
| 881 | Y | 83.8 | Confident | 81.3 | Confident | 131 Ų | 131 | 37 Ų | 37 | 51% | 0.514 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.1 | -45.2 | 179.5 | -178.8 | -95.6 | 0 | 0 | 0 | 111 | D480 L877 N878 I879 M883 G884 K885 | D480-Y881 PolarHBondContact OD2-OH 3.48Å; L877-Y881 WeakPolarHBondContact O-CB 3.29Å; L877-Y881 PolarHBondContact O-N 2.96Å; N878-Y881 PolarHBondContact O-N 3.43Å; I879-Y881 VanDerWaalsContact C-N 3.33Å; I879-Y881 PolarHBondContact O-N 3.27Å; Y881-M883 PolarHBondContact O-N 2.94Å; Y881-G884 CarbonylContact O-C 3.45Å; Y881-G884 PolarHBondContact O-N 2.9Å; Y881-K885 HydrophobicContact CE1-CB 4.46Å; Y881-K885 HydrophobicContact CE1-CD 4.19Å; Y881-K885 WeakPolarHBondContact O-CB 3.33Å; Y881-K885 PolarHBondContact O-N 3.44Å |
| 882 | T | 82.8 | Confident | 80.8 | Confident | 9 Ų | 9 | 37.6 Ų | 37.6 | 6% | 0.055 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.9 | -42.3 | 178.4 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | A776 N878 I879 V880 G884 K885 F886 | A776-T882 HydrophobicContact CB-CG2 4.13Å; N878-T882 VanDerWaalsContact O-CB 3.27Å; N878-T882 WeakPolarHBondContact O-CB 3.34Å; N878-T882 PolarHBondContact O-N 3.49Å; N878-T882 PolarHBondContact O-OG1 3.49Å; I879-T882 PolarHBondContact O-N 3.2Å; V880-T882 VanDerWaalsContact C-N 3.34Å; V880-T882 PolarHBondContact O-N 3.18Å; T882-G884 VanDerWaalsContact C-N 3.34Å; T882-G884 PolarHBondContact O-N 2.96Å; T882-K885 PolarHBondContact O-N 2.98Å; T882-F886 HydrophobicContact CG2-CD2 3.49Å; T882-F886 VanDerWaalsContact CG2-CD2 3.49Å; T882-F886 HydrophobicContact CG2-CE2 3.38Å; T882-F886 HydrophobicContact CG2-CG 4.46Å; T882-F886 HydrophobicContact CG2-CZ 4.31Å; T882-F886 WeakPolarHBondContact O-CB 3.47Å; T882-F886 WeakPolarHBondContact O-CG 3.47Å; T882-F886 PolarHBondContact O-N 3.35Å |
| 883 | M | 82.4 | Confident | 80 | Confident | 23 Ų | 23 | 40.2 Ų | 40.2 | 11% | 0.113 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.8 | -44.8 | 172.5 | -72.7 | -176.5 | 75.6 | 0 | 0 | 111.1 | L772 I879 V880 Y881 F886 L887 F900 P1031 I1032 | L772-M883 HydrophobicContact CD1-CG 4.09Å; I879-M883 HydrophobicContact CG2-CG 4.47Å; I879-M883 HydrophobicContact CG2-SD 4.28Å; I879-M883 WeakPolarHBondContact O-CB 3.42Å; I879-M883 VanDerWaalsContact O-CG 3.32Å; I879-M883 WeakPolarHBondContact O-CG 3.38Å; I879-M883 PolarHBondContact O-N 3.14Å; V880-M883 PolarHBondContact O-N 3.46Å; Y881-M883 PolarHBondContact O-N 2.94Å; M883-F886 PolarHBondContact O-N 3.38Å; M883-L887 HydrophobicContact CB-CD1 4.48Å; M883-L887 HydrophobicContact CE-CD1 4.13Å; M883-L887 WeakPolarHBondContact O-CA 3.38Å; M883-L887 WeakPolarHBondContact O-CB 3.39Å; M883-L887 PolarHBondContact O-N 2.94Å; M883-F900 HydrophobicContact CE-CE1 4.37Å; M883-F900 HydrophobicContact CG-CE1 4.37Å; M883-F900 HydrophobicContact CG-CZ 4.44Å; M883-F900 HydrophobicContact SD-CE1 3.77Å; M883-F900 HydrophobicContact SD-CZ 4.38Å; M883-P1031 WeakPolarHBondContact CE-O 3.39Å; M883-I1032 HydrophobicContact SD-CG1 3.77Å |
| 884 | G | 80.1 | Confident | 78.8 | Confident | 28 Ų | 28 | 42.6 Ų | 42.6 | 29% | 0.289 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.5 | -46.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V880 Y881 T882 F886 V888 | V880-G884 PolarHBondContact O-N 2.87Å; Y881-G884 CarbonylContact O-C 3.45Å; Y881-G884 PolarHBondContact O-N 2.9Å; T882-G884 VanDerWaalsContact C-N 3.34Å; T882-G884 PolarHBondContact O-N 2.96Å; G884-F886 VanDerWaalsContact C-N 3.33Å; G884-F886 PolarHBondContact O-N 3.5Å; G884-V888 WeakPolarHBondContact O-CA 3.35Å; G884-V888 PolarHBondContact O-N 3.48Å |
| 885 | K | 78 | Confident | 78.2 | Confident | 21 Ų | 21 | 40.3 Ų | 40.3 | 9% | 0.091 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.4 | -37.3 | 178.8 | 179.8 | 174.2 | -175.6 | -176.1 | 0 | 112.8 | D480 W481 Y881 T882 | D480-K885 HydrophobicContact CB-CG 4.45Å; W481-K885 WeakPolarHBondContact CB-O 3.36Å; Y881-K885 HydrophobicContact CE1-CB 4.46Å; Y881-K885 HydrophobicContact CE1-CD 4.19Å; Y881-K885 WeakPolarHBondContact O-CB 3.33Å; Y881-K885 PolarHBondContact O-N 3.44Å; T882-K885 PolarHBondContact O-N 2.98Å |
| 886 | F | 78.3 | Confident | 77.7 | Confident | 7 Ų | 7 | 41 Ų | 41 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -97.6 | -41.6 | -173.7 | -72.9 | -23.2 | 0 | 0 | 0 | 114.4 | P681 I685 L772 T882 M883 G884 | P681-F886 HydrophobicContact CB-CE2 4.29Å; P681-F886 HydrophobicContact CB-CZ 4.21Å; P681-F886 HydrophobicContact CG-CZ 4.29Å; I685-F886 HydrophobicContact CD1-CB 3.37Å; I685-F886 HydrophobicContact CD1-CD1 3.32Å; I685-F886 HydrophobicContact CD1-CD2 3.58Å; I685-F886 HydrophobicContact CD1-CE1 3.92Å; I685-F886 HydrophobicContact CD1-CE2 4.15Å; I685-F886 HydrophobicContact CD1-CG 3.12Å; I685-F886 HydrophobicContact CD1-CZ 4.3Å; L772-F886 HydrophobicContact CD1-CB 4.42Å; L772-F886 HydrophobicContact CD1-CD2 4.28Å; T882-F886 HydrophobicContact CG2-CD2 3.49Å; T882-F886 VanDerWaalsContact CG2-CD2 3.49Å; T882-F886 HydrophobicContact CG2-CE2 3.38Å; T882-F886 HydrophobicContact CG2-CG 4.46Å; T882-F886 HydrophobicContact CG2-CZ 4.31Å; T882-F886 WeakPolarHBondContact O-CB 3.47Å; T882-F886 WeakPolarHBondContact O-CG 3.47Å; T882-F886 PolarHBondContact O-N 3.35Å; M883-F886 PolarHBondContact O-N 3.38Å; G884-F886 VanDerWaalsContact C-N 3.33Å; G884-F886 PolarHBondContact O-N 3.5Å |
| 887 | L | 74.9 | Confident | 77.1 | Confident | 15 Ų | 15 | 43.4 Ų | 43.4 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -96.7 | -21.5 | -175.3 | -56.1 | 174.7 | 0 | 0 | 0 | 112.4 | R689 L772 M883 H889 K890 L892 | R689-L887 PolarHBondContact NH2-O 3.13Å; L772-L887 HydrophobicContact CD1-CD1 3.99Å; L772-L887 HydrophobicContact CD1-CG 4.09Å; L772-L887 HydrophobicContact CD2-CD1 4.03Å; M883-L887 HydrophobicContact CB-CD1 4.48Å; M883-L887 HydrophobicContact CE-CD1 4.13Å; M883-L887 WeakPolarHBondContact O-CA 3.38Å; M883-L887 WeakPolarHBondContact O-CB 3.39Å; M883-L887 PolarHBondContact O-N 2.94Å; L887-H889 VanDerWaalsContact C-N 3.27Å; L887-H889 PolarHBondContact O-N 3.18Å; L887-K890 VanDerWaalsContact CB-O 3.3Å; L887-K890 WeakPolarHBondContact CB-O 3.5Å; L887-K890 PolarHBondContact O-N 3.41Å; L887-L892 HydrophobicContact CD1-CD1 3.47Å; L887-L892 VanDerWaalsContact CD1-CD1 3.47Å; L887-L892 HydrophobicContact CD2-CD1 3.56Å; L887-L892 HydrophobicContact CG-CD1 4.16Å |
| 888 | V | 73.7 | Confident | 76.5 | Confident | 29 Ų | 29 | 42.2 Ų | 42.2 | 18% | 0.176 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | -80.4 | -178.7 | -173.9 | 0 | 0 | 0 | 0 | 111.7 | W481 V485 V603 G884 | W481-V888 HydrophobicContact CB-CG2 3.98Å; V485-V888 HydrophobicContact CB-CG1 4.07Å; V485-V888 HydrophobicContact CG1-CG1 4.01Å; V485-V888 HydrophobicContact CG2-CB 4.47Å; V485-V888 HydrophobicContact CG2-CG1 3.82Å; V485-V888 HydrophobicContact CG2-CG2 4.05Å; V603-V888 HydrophobicContact CG2-CG2 4.28Å; G884-V888 WeakPolarHBondContact O-CA 3.35Å; G884-V888 PolarHBondContact O-N 3.48Å |
| 889 | H | 68.1 | Low | 76.1 | Confident | 98 Ų | 98 | 43.3 Ų | 43.3 | 45% | 0.454 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -132 | -4.6 | -178.5 | 69.2 | -67.7 | 0 | 0 | 0 | 112.7 | L601 L887 | L601-H889 PolarHBondContact O-CE1 3.01Å; L887-H889 VanDerWaalsContact C-N 3.27Å; L887-H889 PolarHBondContact O-N 3.18Å |
| 890 | K | 67.4 | Low | 75.9 | Confident | 66 Ų | 66 | 43.5 Ų | 43.5 | 29% | 0.287 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -88.9 | 137.7 | -179.7 | -74.2 | -176.9 | 170.8 | -177.9 | 0 | 110.6 | R689 L887 | R689-K890 VanDerWaalsContact NH1-CD 3.29Å; L887-K890 VanDerWaalsContact CB-O 3.3Å; L887-K890 WeakPolarHBondContact CB-O 3.5Å; L887-K890 PolarHBondContact O-N 3.41Å |
| 891 | S | 69.3 | Low | 75.7 | Confident | 102 Ų | 102 | 43.2 Ų | 43.2 | 71% | 0.713 | 24% | 0.244 | S | C | * | . | P | Polyproline II helix | trans | -88.9 | 154.2 | 171.3 | 56.8 | 0 | 0 | 0 | 0 | 111.3 | ||
| 892 | L | 74.7 | Confident | 75.5 | Confident | 15 Ų | 15 | 37.8 Ų | 37.8 | 8% | 0.079 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -67.8 | 129.5 | 167.8 | -99.6 | 65.6 | 0 | 0 | 0 | 109.2 | F769 L772 L887 F896 F900 | F769-L892 HydrophobicContact CB-CD2 4.3Å; F769-L892 HydrophobicContact CD2-CD2 4.19Å; L772-L892 HydrophobicContact CD2-CD1 3.84Å; L772-L892 HydrophobicContact CD2-CD2 3.87Å; L887-L892 HydrophobicContact CD1-CD1 3.47Å; L887-L892 VanDerWaalsContact CD1-CD1 3.47Å; L887-L892 HydrophobicContact CD2-CD1 3.56Å; L887-L892 HydrophobicContact CG-CD1 4.16Å; L892-F896 HydrophobicContact CB-CB 4.28Å; L892-F896 HydrophobicContact CD2-CB 3.88Å; L892-F896 HydrophobicContact CG-CB 4.27Å; L892-F900 HydrophobicContact CD2-CB 4.4Å |
| 893 | P | 70.1 | Confident | 75.5 | Confident | 56 Ų | 56 | 40.8 Ų | 40.8 | 36% | 0.364 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -62.9 | 151 | 174.8 | 25.5 | -31.2 | 0 | 0 | 0 | 110.5 | F896 S897 | P893-F896 HydrophobicContact CG-CD2 4.31Å; P893-F896 WeakPolarHBondContact O-CB 3.47Å; P893-F896 PolarHBondContact O-N 3.02Å; P893-S897 PolarHBondContact O-N 3.29Å |
| 894 | S | 63.7 | Low | 75.6 | Confident | 103 Ų | 103 | 39.8 Ų | 39.8 | 72% | 0.72 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 141.2 | 169.5 | 52 | 0 | 0 | 0 | 0 | 109.6 | ||
| 895 | P | 72 | Confident | 75.9 | Confident | 27 Ų | 27 | 38.5 Ų | 38.5 | 18% | 0.175 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -90.1 | 0.8 | 5.4 | 36.2 | -35.8 | 0 | 0 | 0 | 115.3 | S897 H898 L899 I980 | P895-S897 VanDerWaalsContact C-N 3.32Å; P895-S897 PolarHBondContact O-N 2.9Å; P895-H898 PolarHBondContact O-N 3.41Å; P895-H898 VanDerWaalsContact O-N 3.08Å; P895-L899 HydrophobicContact CG-CD1 4.45Å; P895-L899 PolarHBondContact O-N 3.43Å; P895-L899 VanDerWaalsContact O-N 3.09Å; P895-I980 HydrophobicContact CB-CD1 4.42Å |
| 896 | F | 77.6 | Confident | 76.2 | Confident | 18 Ų | 18 | 38.6 Ų | 38.6 | 8% | 0.079 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.7 | -32.5 | -170.7 | -63.4 | -77.3 | 0 | 0 | 0 | 114.2 | N765 Q766 F769 L892 P893 H898 L899 F900 | N765-F896 HydrophobicContact CB-CD2 3.89Å; N765-F896 HydrophobicContact CB-CE2 3.41Å; N765-F896 VanDerWaalsContact CB-CE2 3.41Å; N765-F896 HydrophobicContact CB-CZ 3.87Å; Q766-F896 HydrophobicContact CB-CE1 4.46Å; F769-F896 HydrophobicContact CB-CB 4.34Å; F769-F896 HydrophobicContact CB-CD1 3.69Å; F769-F896 HydrophobicContact CB-CE1 4.4Å; F769-F896 HydrophobicContact CB-CG 4.31Å; F769-F896 HydrophobicContact CD1-CD1 4.38Å; F769-F896 HydrophobicContact CD2-CB 4.31Å; F769-F896 HydrophobicContact CD2-CD1 4.26Å; F769-F896 AromaticContact CG-CD1 3.85Å; F769-F896 HydrophobicContact CG-CD1 3.85Å; L892-F896 HydrophobicContact CB-CB 4.28Å; L892-F896 HydrophobicContact CD2-CB 3.88Å; L892-F896 HydrophobicContact CG-CB 4.27Å; P893-F896 HydrophobicContact CG-CD2 4.31Å; P893-F896 WeakPolarHBondContact O-CB 3.47Å; P893-F896 PolarHBondContact O-N 3.02Å; F896-H898 VanDerWaalsContact C-N 3.31Å; F896-H898 PolarHBondContact O-N 3.45Å; F896-L899 HydrophobicContact CD1-CD1 4.35Å; F896-L899 PolarHBondContact O-N 2.95Å; F896-F900 WeakPolarHBondContact O-CB 3.42Å; F896-F900 PolarHBondContact O-N 3.1Å |
| 897 | S | 76.6 | Confident | 76.6 | Confident | 51 Ų | 51 | 38.6 Ų | 38.6 | 36% | 0.357 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.3 | -41.3 | 173.3 | 51.9 | 0 | 0 | 0 | 0 | 112.4 | P893 P895 L901 | P893-S897 PolarHBondContact O-N 3.29Å; P895-S897 VanDerWaalsContact C-N 3.32Å; P895-S897 PolarHBondContact O-N 2.9Å; S897-L901 WeakPolarHBondContact O-CG 3.36Å; S897-L901 PolarHBondContact O-N 3.27Å |
| 898 | H | 73.1 | Confident | 77.2 | Confident | 33 Ų | 33 | 38 Ų | 38 | 15% | 0.153 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -72.4 | -42.8 | 176.6 | -176.5 | -81.2 | 0 | 0 | 0 | 111.9 | P895 F896 F900 L901 S902 I980 S983 | P895-H898 PolarHBondContact O-N 3.41Å; P895-H898 VanDerWaalsContact O-N 3.08Å; F896-H898 VanDerWaalsContact C-N 3.31Å; F896-H898 PolarHBondContact O-N 3.45Å; H898-F900 PolarHBondContact O-N 3.14Å; H898-L901 PolarHBondContact O-N 3.36Å; H898-S902 WeakPolarHBondContact O-CB 3.46Å; H898-S902 PolarHBondContact O-N 3.41Å; H898-I980 WeakPolarHBondContact NE2-CG2 3.4Å; H898-S983 PolarHBondContact CE1-OG 3.42Å |
| 899 | L | 78.6 | Confident | 77.9 | Confident | 53 Ų | 53 | 36.7 Ų | 36.7 | 28% | 0.277 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58.8 | -37.2 | 176.2 | -69.2 | 172 | 0 | 0 | 0 | 111.2 | F769 P895 F896 S902 K903 | F769-L899 HydrophobicContact CE2-CB 3.75Å; F769-L899 HydrophobicContact CZ-CB 3.99Å; P895-L899 HydrophobicContact CG-CD1 4.45Å; P895-L899 PolarHBondContact O-N 3.43Å; P895-L899 VanDerWaalsContact O-N 3.09Å; F896-L899 HydrophobicContact CD1-CD1 4.35Å; F896-L899 PolarHBondContact O-N 2.95Å; L899-S902 PolarHBondContact O-N 2.92Å; L899-K903 WeakPolarHBondContact O-CB 3.32Å; L899-K903 PolarHBondContact O-N 2.85Å |
| 900 | F | 83.7 | Confident | 78.8 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.018 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.1 | -51 | 177.9 | 175.5 | -105.5 | 0 | 0 | 0 | 110.8 | F769 L772 V773 A776 I879 M883 L892 F896 H898 S902 K903 V904 | F769-F900 HydrophobicContact CD2-CB 4.18Å; F769-F900 HydrophobicContact CE2-CB 3.97Å; L772-F900 HydrophobicContact CB-CE2 4.34Å; L772-F900 HydrophobicContact CD2-CD1 4.09Å; L772-F900 HydrophobicContact CD2-CD2 3.56Å; L772-F900 HydrophobicContact CD2-CE1 4.07Å; L772-F900 HydrophobicContact CD2-CE2 3.55Å; L772-F900 HydrophobicContact CD2-CG 3.84Å; L772-F900 HydrophobicContact CD2-CZ 3.81Å; L772-F900 HydrophobicContact CG-CD2 3.98Å; L772-F900 HydrophobicContact CG-CE2 3.56Å; L772-F900 HydrophobicContact CG-CZ 3.95Å; V773-F900 HydrophobicContact CG2-CD2 3.77Å; V773-F900 HydrophobicContact CG2-CE2 4.32Å; A776-F900 HydrophobicContact CB-CE2 4.09Å; A776-F900 HydrophobicContact CB-CZ 3.94Å; I879-F900 HydrophobicContact CG2-CE1 4.29Å; I879-F900 HydrophobicContact CG2-CZ 4.07Å; M883-F900 HydrophobicContact CE-CE1 4.37Å; M883-F900 HydrophobicContact CG-CE1 4.37Å; M883-F900 HydrophobicContact CG-CZ 4.44Å; M883-F900 HydrophobicContact SD-CE1 3.77Å; M883-F900 HydrophobicContact SD-CZ 4.38Å; L892-F900 HydrophobicContact CD2-CB 4.4Å; F896-F900 WeakPolarHBondContact O-CB 3.42Å; F896-F900 PolarHBondContact O-N 3.1Å; H898-F900 PolarHBondContact O-N 3.14Å; F900-S902 VanDerWaalsContact C-N 3.32Å; F900-S902 PolarHBondContact O-N 3.05Å; F900-K903 PolarHBondContact O-N 2.63Å; F900-K903 VanDerWaalsContact O-N 3.13Å; F900-V904 HydrophobicContact CD1-CG2 4.22Å; F900-V904 HydrophobicContact CD2-CG2 4.29Å; F900-V904 HydrophobicContact CE1-CG2 3.87Å; F900-V904 HydrophobicContact CE2-CG2 3.93Å; F900-V904 HydrophobicContact CG-CG2 4.43Å; F900-V904 HydrophobicContact CZ-CG2 3.71Å; F900-V904 WeakPolarHBondContact O-CG2 3.27Å; F900-V904 PolarHBondContact O-N 2.87Å |
| 901 | L | 80.7 | Confident | 79.8 | Confident | 18 Ų | 18 | 34.9 Ų | 34.9 | 9% | 0.094 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.3 | -41.4 | 177.1 | -66 | 173.5 | 0 | 0 | 0 | 112.3 | S897 H898 K903 V904 C905 L963 I1032 | S897-L901 WeakPolarHBondContact O-CG 3.36Å; S897-L901 PolarHBondContact O-N 3.27Å; H898-L901 PolarHBondContact O-N 3.36Å; L901-K903 VanDerWaalsContact C-N 3.31Å; L901-K903 PolarHBondContact O-N 2.88Å; L901-V904 PolarHBondContact O-N 2.96Å; L901-C905 WeakPolarHBondContact O-CB 3.15Å; L901-C905 PolarHBondContact O-N 3.38Å; L901-C905 PolarHBondContact O-SG 2.79Å; L901-L963 HydrophobicContact CD2-CD2 4.19Å; L901-I1032 HydrophobicContact CD2-CG2 3.37Å; L901-I1032 WeakPolarHBondContact CD2-O 3.43Å |
| 902 | S | 79.6 | Confident | 80.8 | Confident | 18 Ų | 18 | 30 Ų | 30 | 13% | 0.126 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.6 | -45 | 174.6 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | H898 L899 F900 C905 T906 S983 | H898-S902 WeakPolarHBondContact O-CB 3.46Å; H898-S902 PolarHBondContact O-N 3.41Å; L899-S902 PolarHBondContact O-N 2.92Å; F900-S902 VanDerWaalsContact C-N 3.32Å; F900-S902 PolarHBondContact O-N 3.05Å; S902-C905 WeakPolarHBondContact O-CB 3.29Å; S902-C905 PolarHBondContact O-N 3.18Å; S902-T906 WeakPolarHBondContact O-CG2 3.31Å; S902-T906 PolarHBondContact O-N 2.97Å; S902-T906 PolarHBondContact O-OG1 3.08Å; S902-T906 VanDerWaalsContact O-OG1 3.1Å; S902-S983 WeakPolarHBondContact OG-CB 3.16Å |
| 903 | K | 83 | Confident | 81.5 | Confident | 72 Ų | 72 | 30.7 Ų | 30.7 | 31% | 0.313 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -68 | -42.6 | -178.7 | -172.3 | 57.6 | 171.9 | 176.8 | 0 | 112 | V773 L899 F900 L901 T906 S907 | V773-K903 HydrophobicContact CG1-CG 3.81Å; V773-K903 HydrophobicContact CG2-CG 4.37Å; L899-K903 WeakPolarHBondContact O-CB 3.32Å; L899-K903 PolarHBondContact O-N 2.85Å; F900-K903 PolarHBondContact O-N 2.63Å; F900-K903 VanDerWaalsContact O-N 3.13Å; L901-K903 VanDerWaalsContact C-N 3.31Å; L901-K903 PolarHBondContact O-N 2.88Å; K903-T906 WeakPolarHBondContact CA-OG1 3.46Å; K903-T906 PolarHBondContact O-N 3.3Å; K903-T906 PolarHBondContact O-OG1 3.46Å; K903-S907 WeakPolarHBondContact O-CB 3.32Å; K903-S907 PolarHBondContact O-N 2.95Å; K903-S907 PolarHBondContact O-OG 3.2Å |
| 904 | V | 85.5 | Confident | 82.4 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.5 | -51.8 | 172.8 | 173.9 | 0 | 0 | 0 | 0 | 109.6 | V777 I879 F900 L901 S907 L908 L963 | V777-V904 HydrophobicContact CG2-CB 4.31Å; V777-V904 HydrophobicContact CG2-CG1 4.32Å; V777-V904 HydrophobicContact CG2-CG2 3.7Å; I879-V904 HydrophobicContact CD1-CG1 3.82Å; F900-V904 HydrophobicContact CD1-CG2 4.22Å; F900-V904 HydrophobicContact CD2-CG2 4.29Å; F900-V904 HydrophobicContact CE1-CG2 3.87Å; F900-V904 HydrophobicContact CE2-CG2 3.93Å; F900-V904 HydrophobicContact CG-CG2 4.43Å; F900-V904 HydrophobicContact CZ-CG2 3.71Å; F900-V904 WeakPolarHBondContact O-CG2 3.27Å; F900-V904 PolarHBondContact O-N 2.87Å; L901-V904 PolarHBondContact O-N 2.96Å; V904-S907 PolarHBondContact O-N 3.05Å; V904-L908 HydrophobicContact CG1-CD1 3.87Å; V904-L908 VanDerWaalsContact O-CG 3.27Å; V904-L908 WeakPolarHBondContact O-CG 3.46Å; V904-L908 PolarHBondContact O-N 3.05Å; V904-L963 HydrophobicContact CG1-CD1 4.28Å |
| 905 | C | 84.7 | Confident | 83.4 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.007 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -56.1 | -54.5 | 177.6 | -78.6 | 0 | 0 | 0 | 0 | 112.4 | L901 S902 S907 L908 F909 L963 I987 | L901-C905 WeakPolarHBondContact O-CB 3.15Å; L901-C905 PolarHBondContact O-N 3.38Å; L901-C905 PolarHBondContact O-SG 2.79Å; S902-C905 WeakPolarHBondContact O-CB 3.29Å; S902-C905 PolarHBondContact O-N 3.18Å; C905-S907 VanDerWaalsContact C-N 3.3Å; C905-S907 PolarHBondContact O-N 2.99Å; C905-L908 PolarHBondContact O-N 2.86Å; C905-F909 HydrophobicContact CB-CD2 4.1Å; C905-F909 HydrophobicContact CB-CE2 3.77Å; C905-F909 WeakPolarHBondContact O-CD2 3.4Å; C905-F909 WeakPolarHBondContact O-CG 3.32Å; C905-F909 PolarHBondContact O-N 3.35Å; C905-L963 WeakPolarHBondContact SG-CB 3.43Å; C905-I987 HydrophobicContact CB-CD1 3.82Å; C905-I987 HydrophobicContact CB-CG1 4.37Å; C905-I987 HydrophobicContact CB-CG2 4.13Å |
| 906 | T | 84.4 | Confident | 84.1 | Confident | 23 Ų | 23 | 23.7 Ų | 23.7 | 14% | 0.141 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.6 | -44.4 | -177.5 | 49.8 | 0 | 0 | 0 | 0 | 111.4 | S902 K903 L908 F909 E910 I987 | S902-T906 WeakPolarHBondContact O-CG2 3.31Å; S902-T906 PolarHBondContact O-N 2.97Å; S902-T906 PolarHBondContact O-OG1 3.08Å; S902-T906 VanDerWaalsContact O-OG1 3.1Å; K903-T906 WeakPolarHBondContact CA-OG1 3.46Å; K903-T906 PolarHBondContact O-N 3.3Å; K903-T906 PolarHBondContact O-OG1 3.46Å; T906-L908 VanDerWaalsContact C-N 3.34Å; T906-L908 PolarHBondContact O-N 2.81Å; T906-F909 PolarHBondContact O-N 2.89Å; T906-E910 WeakPolarHBondContact O-CB 3.49Å; T906-E910 VanDerWaalsContact O-CG 3.26Å; T906-E910 WeakPolarHBondContact O-CG 3.39Å; T906-E910 PolarHBondContact O-N 2.99Å; T906-I987 HydrophobicContact CG2-CD1 4.21Å; T906-I987 HydrophobicContact CG2-CG1 3.88Å |
| 907 | S | 87.3 | Confident | 84.4 | Confident | 7 Ų | 7 | 26.5 Ų | 26.5 | 5% | 0.049 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.1 | -35.9 | 179.9 | -68.9 | 0 | 0 | 0 | 0 | 112.7 | K903 V904 C905 I911 | K903-S907 WeakPolarHBondContact O-CB 3.32Å; K903-S907 PolarHBondContact O-N 2.95Å; K903-S907 PolarHBondContact O-OG 3.2Å; V904-S907 PolarHBondContact O-N 3.05Å; C905-S907 VanDerWaalsContact C-N 3.3Å; C905-S907 PolarHBondContact O-N 2.99Å; S907-I911 WeakPolarHBondContact O-CG1 3.49Å; S907-I911 PolarHBondContact O-N 2.88Å |
| 908 | L | 88.2 | Confident | 84.7 | Confident | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.016 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.9 | -45.5 | 174.9 | -68.3 | 173.5 | 0 | 0 | 0 | 112.2 | F785 L875 V904 C905 T906 E910 I911 Y912 L959 L963 | F785-L908 HydrophobicContact CD1-CD2 3.97Å; F785-L908 HydrophobicContact CE1-CD2 3.42Å; F785-L908 VanDerWaalsContact CE1-CD2 3.42Å; F785-L908 HydrophobicContact CZ-CD2 3.9Å; L875-L908 HydrophobicContact CD2-CD1 4.25Å; L875-L908 HydrophobicContact CD2-CD2 3.06Å; L875-L908 HydrophobicContact CD2-CG 4.19Å; V904-L908 HydrophobicContact CG1-CD1 3.87Å; V904-L908 VanDerWaalsContact O-CG 3.27Å; V904-L908 WeakPolarHBondContact O-CG 3.46Å; V904-L908 PolarHBondContact O-N 3.05Å; C905-L908 PolarHBondContact O-N 2.86Å; T906-L908 VanDerWaalsContact C-N 3.34Å; T906-L908 PolarHBondContact O-N 2.81Å; L908-E910 VanDerWaalsContact C-N 3.32Å; L908-E910 PolarHBondContact O-N 2.62Å; L908-I911 PolarHBondContact O-N 3.16Å; L908-Y912 VanDerWaalsContact O-CD2 3.25Å; L908-Y912 WeakPolarHBondContact O-CD2 3.48Å; L908-Y912 PolarHBondContact O-N 3.01Å; L908-L959 HydrophobicContact CD1-CD1 4.36Å; L908-L959 HydrophobicContact CD1-CD2 4.28Å; L908-L963 HydrophobicContact CD1-CD1 4.44Å |
| 909 | F | 87.1 | Confident | 85.1 | Confident | 1 Ų | 1 | 26 Ų | 26 | 0% | 0.004 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.8 | -30.9 | -178.8 | -63.2 | -49.4 | 0 | 0 | 0 | 112.8 | C905 T906 Y912 S913 L956 L959 I987 M990 I991 | C905-F909 HydrophobicContact CB-CD2 4.1Å; C905-F909 HydrophobicContact CB-CE2 3.77Å; C905-F909 WeakPolarHBondContact O-CD2 3.4Å; C905-F909 WeakPolarHBondContact O-CG 3.32Å; C905-F909 PolarHBondContact O-N 3.35Å; T906-F909 PolarHBondContact O-N 2.89Å; F909-Y912 PolarHBondContact O-N 3.18Å; F909-S913 VanDerWaalsContact O-CB 3.31Å; F909-S913 WeakPolarHBondContact O-CB 3.26Å; F909-S913 PolarHBondContact O-N 2.92Å; F909-L956 HydrophobicContact CD1-CD2 3.47Å; F909-L956 VanDerWaalsContact CD1-CD2 3.47Å; F909-L956 HydrophobicContact CE1-CD2 3.54Å; F909-L959 HydrophobicContact CE1-CB 4.21Å; F909-L959 HydrophobicContact CE1-CD1 4.4Å; F909-L959 HydrophobicContact CZ-CB 4.05Å; F909-I987 HydrophobicContact CD2-CG2 3.83Å; F909-I987 HydrophobicContact CE2-CG2 3.53Å; F909-M990 HydrophobicContact CB-CE 4.45Å; F909-I991 HydrophobicContact CD1-CG1 3.99Å; F909-I991 HydrophobicContact CD2-CD1 4.2Å; F909-I991 HydrophobicContact CD2-CG1 3.96Å; F909-I991 HydrophobicContact CE1-CD1 4Å; F909-I991 HydrophobicContact CE1-CG1 3.68Å; F909-I991 HydrophobicContact CE2-CD1 3.45Å; F909-I991 VanDerWaalsContact CE2-CD1 3.45Å; F909-I991 HydrophobicContact CE2-CG1 3.66Å; F909-I991 HydrophobicContact CG-CG1 4.14Å; F909-I991 HydrophobicContact CZ-CD1 3.32Å; F909-I991 HydrophobicContact CZ-CG1 3.52Å |
| 910 | E | 87.6 | Confident | 85.2 | Confident | 110 Ų | 110 | 24.8 Ų | 24.8 | 51% | 0.514 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -60.5 | -44 | 169.9 | -77.2 | 168 | -172.5 | 0 | 0 | 111.9 | T906 L908 S913 S914 | T906-E910 WeakPolarHBondContact O-CB 3.49Å; T906-E910 VanDerWaalsContact O-CG 3.26Å; T906-E910 WeakPolarHBondContact O-CG 3.39Å; T906-E910 PolarHBondContact O-N 2.99Å; L908-E910 VanDerWaalsContact C-N 3.32Å; L908-E910 PolarHBondContact O-N 2.62Å; E910-S913 PolarHBondContact O-N 3.29Å; E910-S914 PolarHBondContact O-N 3.19Å |
| 911 | I | 88.2 | Confident | 84.9 | Confident | 17 Ų | 17 | 27.1 Ų | 27.1 | 9% | 0.087 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67 | -45 | 177.8 | -67.5 | 169.8 | 0 | 0 | 0 | 110.9 | L782 F785 R786 L789 S907 L908 S913 S914 I915 | L782-I911 HydrophobicContact CB-CD1 3.92Å; L782-I911 HydrophobicContact CD2-CD1 3.59Å; L782-I911 HydrophobicContact CG-CD1 4.2Å; F785-I911 HydrophobicContact CD1-CD1 3.85Å; F785-I911 HydrophobicContact CD1-CG2 4.14Å; F785-I911 HydrophobicContact CE1-CD1 4.46Å; F785-I911 HydrophobicContact CE1-CG2 4.19Å; R786-I911 HydrophobicContact CB-CG2 3.94Å; R786-I911 HydrophobicContact CG-CG2 4.16Å; L789-I911 HydrophobicContact CD1-CG2 3.79Å; S907-I911 WeakPolarHBondContact O-CG1 3.49Å; S907-I911 PolarHBondContact O-N 2.88Å; L908-I911 PolarHBondContact O-N 3.16Å; I911-S913 VanDerWaalsContact C-N 3.33Å; I911-S913 PolarHBondContact O-N 3.28Å; I911-S914 PolarHBondContact O-N 2.93Å; I911-I915 HydrophobicContact CG2-CD1 3.79Å; I911-I915 WeakPolarHBondContact O-CD1 2.8Å; I911-I915 WeakPolarHBondContact O-CG1 3.17Å; I911-I915 PolarHBondContact O-N 3.32Å |
| 912 | Y | 90.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.5 | -43.8 | 173.9 | -86.9 | -69.1 | 0 | 0 | 0 | 112.3 | F785 L789 T872 L908 F909 S914 I915 V916 I952 D955 L956 L959 | F785-Y912 HydrophobicContact CZ-CE2 4.45Å; L789-Y912 HydrophobicContact CD1-CE1 4.48Å; T872-Y912 HydrophobicContact CG2-CE2 4.26Å; T872-Y912 WeakPolarHBondContact CG2-OH 3.49Å; L908-Y912 VanDerWaalsContact O-CD2 3.25Å; L908-Y912 WeakPolarHBondContact O-CD2 3.48Å; L908-Y912 PolarHBondContact O-N 3.01Å; F909-Y912 PolarHBondContact O-N 3.18Å; Y912-S914 VanDerWaalsContact C-N 3.32Å; Y912-S914 PolarHBondContact O-N 2.8Å; Y912-I915 PolarHBondContact O-N 3.11Å; Y912-I915 VanDerWaalsContact O-N 3.14Å; Y912-V916 WeakPolarHBondContact O-CB 3.43Å; Y912-V916 VanDerWaalsContact O-CG2 3.23Å; Y912-V916 WeakPolarHBondContact O-CG2 3.34Å; Y912-V916 PolarHBondContact O-N 3.29Å; Y912-I952 HydrophobicContact CD1-CG2 3.68Å; Y912-I952 HydrophobicContact CE1-CG1 4.46Å; Y912-I952 HydrophobicContact CE1-CG2 3.86Å; Y912-D955 HydrophobicContact CE1-CB 4.49Å; Y912-D955 WeakPolarHBondContact OH-CB 3.42Å; Y912-D955 PolarHBondContact OH-OD2 2.73Å; Y912-L956 HydrophobicContact CD1-CD2 4.41Å; Y912-L956 HydrophobicContact CD2-CD2 3.98Å; Y912-L956 HydrophobicContact CE2-CD2 4.49Å; Y912-L956 HydrophobicContact CG-CD2 3.9Å; Y912-L959 HydrophobicContact CE2-CD1 3.76Å |
| 913 | S | 89.6 | Confident | 83.8 | Confident | 29 Ų | 29 | 31.2 Ų | 31.2 | 20% | 0.203 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.4 | -48.8 | 175.8 | -171.9 | 0 | 0 | 0 | 0 | 111 | F909 E910 I911 I915 V916 D917 | F909-S913 VanDerWaalsContact O-CB 3.31Å; F909-S913 WeakPolarHBondContact O-CB 3.26Å; F909-S913 PolarHBondContact O-N 2.92Å; E910-S913 PolarHBondContact O-N 3.29Å; I911-S913 VanDerWaalsContact C-N 3.33Å; I911-S913 PolarHBondContact O-N 3.28Å; S913-I915 VanDerWaalsContact C-N 3.26Å; S913-I915 PolarHBondContact O-N 3.42Å; S913-V916 PolarHBondContact O-N 3.07Å; S913-V916 VanDerWaalsContact O-N 3.16Å; S913-D917 PolarHBondContact O-N 3.34Å; S913-D917 VanDerWaalsContact O-OD2 3.08Å |
| 914 | S | 88 | Confident | 82.7 | Confident | 38 Ų | 38 | 32.9 Ų | 32.9 | 27% | 0.266 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -58 | -38.8 | 177.5 | 177.9 | 0 | 0 | 0 | 0 | 112.6 | E910 I911 Y912 E918 | E910-S914 PolarHBondContact O-N 3.19Å; I911-S914 PolarHBondContact O-N 2.93Å; Y912-S914 VanDerWaalsContact C-N 3.32Å; Y912-S914 PolarHBondContact O-N 2.8Å; S914-E918 PolarHBondContact O-N 3.44Å; S914-E918 VanDerWaalsContact O-N 3.13Å |
| 915 | I | 84.4 | Confident | 81.3 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -73 | -38.4 | 179.2 | -67.5 | 158.2 | 0 | 0 | 0 | 110.9 | L789 F793 I911 Y912 S913 E918 L919 I952 | L789-I915 HydrophobicContact CB-CD1 3.4Å; L789-I915 VanDerWaalsContact CB-CD1 3.4Å; L789-I915 HydrophobicContact CD1-CD1 3.47Å; L789-I915 VanDerWaalsContact CD1-CD1 3.47Å; L789-I915 HydrophobicContact CG-CD1 4.09Å; F793-I915 HydrophobicContact CB-CG2 4.21Å; I911-I915 HydrophobicContact CG2-CD1 3.79Å; I911-I915 WeakPolarHBondContact O-CD1 2.8Å; I911-I915 WeakPolarHBondContact O-CG1 3.17Å; I911-I915 PolarHBondContact O-N 3.32Å; Y912-I915 PolarHBondContact O-N 3.11Å; Y912-I915 VanDerWaalsContact O-N 3.14Å; S913-I915 VanDerWaalsContact C-N 3.26Å; S913-I915 PolarHBondContact O-N 3.42Å; I915-E918 PolarHBondContact O-N 3.24Å; I915-L919 HydrophobicContact CG2-CD1 3.9Å; I915-L919 HydrophobicContact CG2-CG 4.32Å; I915-L919 WeakPolarHBondContact O-CB 3.25Å; I915-L919 VanDerWaalsContact O-CG 3.26Å; I915-L919 WeakPolarHBondContact O-CG 3.45Å; I915-L919 PolarHBondContact O-N 3.33Å; I915-I952 HydrophobicContact CG2-CD1 4.46Å |
| 916 | V | 86.5 | Confident | 79.6 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.7 | -41 | 175.7 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | Y912 S913 E918 L919 L920 I952 L994 L998 | Y912-V916 WeakPolarHBondContact O-CB 3.43Å; Y912-V916 VanDerWaalsContact O-CG2 3.23Å; Y912-V916 WeakPolarHBondContact O-CG2 3.34Å; Y912-V916 PolarHBondContact O-N 3.29Å; S913-V916 PolarHBondContact O-N 3.07Å; S913-V916 VanDerWaalsContact O-N 3.16Å; V916-E918 VanDerWaalsContact C-N 3.32Å; V916-E918 PolarHBondContact O-N 3.29Å; V916-L919 PolarHBondContact O-N 3.45Å; V916-L920 HydrophobicContact CG1-CD1 3.75Å; V916-L920 HydrophobicContact CG1-CG 4.38Å; V916-L920 WeakPolarHBondContact O-CB 3.26Å; V916-L920 WeakPolarHBondContact O-CD1 3.29Å; V916-L920 VanDerWaalsContact O-CG 3.3Å; V916-L920 WeakPolarHBondContact O-CG 3.48Å; V916-L920 PolarHBondContact O-N 3.39Å; V916-I952 HydrophobicContact CG2-CG2 4.25Å; V916-L994 HydrophobicContact CB-CD2 4.42Å; V916-L998 HydrophobicContact CG1-CD2 4.02Å; V916-L998 HydrophobicContact CG1-CG 4.1Å; V916-L998 HydrophobicContact CG2-CD1 4Å; V916-L998 HydrophobicContact CG2-CD2 3.88Å; V916-L998 HydrophobicContact CG2-CG 4.03Å |
| 917 | D | 85.8 | Confident | 78.1 | Confident | 78 Ų | 78 | 44.9 Ų | 44.9 | 42% | 0.417 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -56.7 | -47.5 | 172.7 | -65.8 | -35.6 | 0 | 0 | 0 | 110.7 | S913 S921 R997 | S913-D917 PolarHBondContact O-N 3.34Å; S913-D917 VanDerWaalsContact O-OD2 3.08Å; D917-S921 PolarHBondContact O-N 2.73Å; D917-S921 VanDerWaalsContact O-N 3.09Å; D917-R997 IonicContact OD1-CZ 2.84Å; D917-R997 IonicContact OD1-NH1 2.84Å; D917-R997 PolarHBondContact OD1-NH1 3.47Å; D917-R997 IonicContact OD1-NH2 2.93Å; D917-R997 PolarHBondContact OD1-NH2 3.46Å |
| 918 | E | 82.7 | Confident | 76.1 | Confident | 66 Ų | 66 | 52.3 Ų | 52.3 | 31% | 0.308 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68 | -41.3 | -179.9 | -162.6 | 172.7 | 173.6 | 0 | 0 | 111.9 | L794 S914 I915 V916 S921 Y922 | L794-E918 HydrophobicContact CD1-CG 4.17Å; L794-E918 WeakPolarHBondContact CD1-OE2 3.41Å; L794-E918 HydrophobicContact CD2-CB 4.01Å; L794-E918 HydrophobicContact CD2-CG 3.89Å; S914-E918 PolarHBondContact O-N 3.44Å; S914-E918 VanDerWaalsContact O-N 3.13Å; I915-E918 PolarHBondContact O-N 3.24Å; V916-E918 VanDerWaalsContact C-N 3.32Å; V916-E918 PolarHBondContact O-N 3.29Å; E918-S921 WeakPolarHBondContact O-CB 3.02Å; E918-S921 PolarHBondContact O-N 3.42Å; E918-S921 PolarHBondContact O-OG 3.43Å; E918-Y922 HydrophobicContact CG-CE2 4.18Å; E918-Y922 WeakPolarHBondContact O-CD2 3.37Å |
| 919 | L | 80.1 | Confident | 73.9 | Confident | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.4 | -46.2 | 174.9 | -79.9 | 169.6 | 0 | 0 | 0 | 112.8 | F793 L794 I915 V916 S921 Y922 M945 I952 | F793-L919 WeakPolarHBondContact O-CD2 3.11Å; L794-L919 HydrophobicContact CD2-CD2 3.94Å; L794-L919 HydrophobicContact CD2-CG 3.91Å; I915-L919 HydrophobicContact CG2-CD1 3.9Å; I915-L919 HydrophobicContact CG2-CG 4.32Å; I915-L919 WeakPolarHBondContact O-CB 3.25Å; I915-L919 VanDerWaalsContact O-CG 3.26Å; I915-L919 WeakPolarHBondContact O-CG 3.45Å; I915-L919 PolarHBondContact O-N 3.33Å; V916-L919 PolarHBondContact O-N 3.45Å; L919-S921 VanDerWaalsContact C-N 3.25Å; L919-S921 PolarHBondContact O-N 3.05Å; L919-Y922 PolarHBondContact O-N 3.42Å; L919-M945 WeakPolarHBondContact O-CE 3.34Å; L919-I952 HydrophobicContact CD1-CD1 3.38Å |
| 920 | L | 81.4 | Confident | 72 | Confident | 27 Ų | 27 | 62.4 Ų | 62.4 | 14% | 0.141 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.7 | -28.9 | 178.1 | -72.3 | 164.2 | 0 | 0 | 0 | 111.8 | V916 Y922 Q923 R997 L1001 | V916-L920 HydrophobicContact CG1-CD1 3.75Å; V916-L920 HydrophobicContact CG1-CG 4.38Å; V916-L920 WeakPolarHBondContact O-CB 3.26Å; V916-L920 WeakPolarHBondContact O-CD1 3.29Å; V916-L920 VanDerWaalsContact O-CG 3.3Å; V916-L920 WeakPolarHBondContact O-CG 3.48Å; V916-L920 PolarHBondContact O-N 3.39Å; L920-Y922 PolarHBondContact O-N 3.35Å; L920-Q923 VanDerWaalsContact O-CB 3.3Å; L920-Q923 WeakPolarHBondContact O-CB 3.47Å; L920-Q923 PolarHBondContact O-N 2.84Å; L920-Q923 VanDerWaalsContact O-N 3.12Å; L920-R997 HydrophobicContact CD1-CB 4.34Å; L920-R997 VanDerWaalsContact CD1-NH2 3.35Å; L920-L1001 HydrophobicContact CD2-CD1 3.86Å; L920-L1001 HydrophobicContact CD2-CD2 3.81Å; L920-L1001 HydrophobicContact CD2-CG 3.7Å; L920-L1001 HydrophobicContact CG-CD1 4.36Å |
| 921 | S | 78 | Confident | 69.9 | Low | 52 Ų | 52 | 63 Ų | 63 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.9 | -32.4 | 176.2 | 82.1 | 0 | 0 | 0 | 0 | 112.8 | D917 E918 L919 N924 | D917-S921 PolarHBondContact O-N 2.73Å; D917-S921 VanDerWaalsContact O-N 3.09Å; E918-S921 WeakPolarHBondContact O-CB 3.02Å; E918-S921 PolarHBondContact O-N 3.42Å; E918-S921 PolarHBondContact O-OG 3.43Å; L919-S921 VanDerWaalsContact C-N 3.25Å; L919-S921 PolarHBondContact O-N 3.05Å; S921-N924 PolarHBondContact O-N 2.81Å |
| 922 | Y | 70.1 | Confident | 67.9 | Low | 66 Ų | 66 | 70.2 Ų | 70.2 | 26% | 0.259 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69.8 | -31.4 | 175.3 | -69.8 | -75.3 | 0 | 0 | 0 | 112.9 | L794 E918 L919 L920 N924 I925 S926 | L794-Y922 HydrophobicContact CD2-CE2 4.13Å; E918-Y922 HydrophobicContact CG-CE2 4.18Å; E918-Y922 WeakPolarHBondContact O-CD2 3.37Å; L919-Y922 PolarHBondContact O-N 3.42Å; L920-Y922 PolarHBondContact O-N 3.35Å; Y922-N924 VanDerWaalsContact C-N 3.28Å; Y922-N924 PolarHBondContact O-N 3.23Å; Y922-I925 HydrophobicContact CD1-CD1 4.45Å; Y922-I925 PolarHBondContact O-N 2.76Å; Y922-S926 PolarHBondContact O-N 3.38Å |
| 923 | Q | 66.3 | Low | 65.6 | Low | 57 Ų | 57 | 73.6 Ų | 73.6 | 27% | 0.266 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.2 | -41.4 | 176.5 | -165.3 | -179.7 | 10.6 | 0 | 0 | 111.1 | L920 I925 S926 M945 L1001 | L920-Q923 VanDerWaalsContact O-CB 3.3Å; L920-Q923 WeakPolarHBondContact O-CB 3.47Å; L920-Q923 PolarHBondContact O-N 2.84Å; L920-Q923 VanDerWaalsContact O-N 3.12Å; Q923-I925 VanDerWaalsContact C-N 3.29Å; Q923-I925 PolarHBondContact O-N 3.22Å; Q923-S926 PolarHBondContact O-N 2.64Å; Q923-M945 HydrophobicContact CB-CE 4.01Å; Q923-L1001 HydrophobicContact CB-CD2 4.35Å; Q923-L1001 VanDerWaalsContact CD-CD2 3.46Å; Q923-L1001 HydrophobicContact CG-CD2 4.23Å |
| 924 | N | 60.6 | Low | 63.6 | Low | 106 Ų | 106 | 73.7 Ų | 73.7 | 57% | 0.567 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -67.5 | -28.4 | 179.8 | -68 | -26.2 | 0 | 0 | 0 | 113 | S921 Y922 | S921-N924 PolarHBondContact O-N 2.81Å; Y922-N924 VanDerWaalsContact C-N 3.28Å; Y922-N924 PolarHBondContact O-N 3.23Å |
| 925 | I | 56.4 | Low | 61.5 | Low | 108 Ų | 108 | 76.4 Ų | 76.4 | 55% | 0.554 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -73.4 | -38.7 | 177.9 | -61.5 | 170.2 | 0 | 0 | 0 | 110.6 | Y922 Q923 I927 H928 | Y922-I925 HydrophobicContact CD1-CD1 4.45Å; Y922-I925 PolarHBondContact O-N 2.76Å; Q923-I925 VanDerWaalsContact C-N 3.29Å; Q923-I925 PolarHBondContact O-N 3.22Å; I925-I927 PolarHBondContact O-N 3.18Å; I925-H928 PolarHBondContact O-N 3.37Å |
| 926 | S | 49.3 | Very low | 59.3 | Low | 46 Ų | 46 | 87 Ų | 87 | 32% | 0.322 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.6 | -27.4 | -179 | -170.4 | 0 | 0 | 0 | 0 | 113.4 | Y922 Q923 H928 | Y922-S926 PolarHBondContact O-N 3.38Å; Q923-S926 PolarHBondContact O-N 2.64Å; S926-H928 PolarHBondContact O-N 3.3Å |
| 927 | I | 51.8 | Low | 57.3 | Low | 124 Ų | 124 | 94.2 Ų | 94.2 | 64% | 0.636 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -17.7 | -177.7 | -62.6 | 166.1 | 0 | 0 | 0 | 111.8 | I925 | I925-I927 PolarHBondContact O-N 3.18Š|
| 928 | H | 45.7 | Very low | 55.9 | Low | 162 Ų | 162 | 91.9 Ų | 91.9 | 75% | 0.75 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | -1.4 | -173.6 | -84.5 | -62.7 | 0 | 0 | 0 | 116.4 | I925 S926 | I925-H928 PolarHBondContact O-N 3.37Å; S926-H928 PolarHBondContact O-N 3.3Å |
| 929 | C | 41.7 | Very low | 54.8 | Low | 82 Ų | 82 | 93.4 Ų | 93.4 | 55% | 0.554 | 49% | 0.488 | S | S | * | . | trans | -104.5 | 110.5 | -179.3 | -78.1 | 0 | 0 | 0 | 0 | 112.5 | S934 | C929-S934 PolarHBondContact O-OG 2.56Š| ||
| 930 | T | 46.1 | Very low | 53.9 | Low | 135 Ų | 135 | 96.2 Ų | 96.2 | 83% | 0.828 | 51% | 0.508 | S | S | * | . | trans | -99.5 | 20.1 | -171 | 55.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 931 | D | 44.9 | Very low | 53.2 | Low | 123 Ų | 123 | 97.3 Ų | 97.3 | 66% | 0.658 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -95.1 | 140.5 | 179.3 | -73.8 | -21 | 0 | 0 | 0 | 111.8 | A933 S934 | D931-A933 PolarHBondContact O-N 3.05Å; D931-S934 WeakPolarHBondContact O-CA 3.31Å; D931-S934 VanDerWaalsContact O-CB 3.24Å; D931-S934 WeakPolarHBondContact O-CB 3.41Å; D931-S934 PolarHBondContact O-N 2.83Å; D931-S934 PolarHBondContact O-OG 2.84Å |
| 932 | E | 45.6 | Very low | 52.8 | Low | 168 Ų | 168 | 100 Ų | 100 | 79% | 0.785 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -56.6 | -25.9 | -174.6 | -67.9 | -176.6 | 159.2 | 0 | 0 | 115 | S934 I935 | E932-S934 VanDerWaalsContact C-N 3.29Å; E932-S934 PolarHBondContact O-N 3.11Å; E932-I935 PolarHBondContact O-N 2.74Å |
| 933 | A | 43 | Very low | 52.8 | Low | 71 Ų | 71 | 104 Ų | 104 | 59% | 0.587 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.2 | -28.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D931 I935 F937 | D931-A933 PolarHBondContact O-N 3.05Å; A933-I935 VanDerWaalsContact C-N 3.3Å; A933-I935 PolarHBondContact O-N 2.87Å; A933-F937 VanDerWaalsContact O-CD2 3.32Å; A933-F937 WeakPolarHBondContact O-CD2 3.39Å |
| 934 | S | 47.8 | Very low | 53.1 | Low | 31 Ų | 31 | 102.4 Ų | 102.4 | 22% | 0.217 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -69.2 | -24.7 | 176.7 | 79.8 | 0 | 0 | 0 | 0 | 112.8 | C929 D931 E932 F937 S938 | C929-S934 PolarHBondContact O-OG 2.56Å; D931-S934 WeakPolarHBondContact O-CA 3.31Å; D931-S934 VanDerWaalsContact O-CB 3.24Å; D931-S934 WeakPolarHBondContact O-CB 3.41Å; D931-S934 PolarHBondContact O-N 2.83Å; D931-S934 PolarHBondContact O-OG 2.84Å; E932-S934 VanDerWaalsContact C-N 3.29Å; E932-S934 PolarHBondContact O-N 3.11Å; S934-F937 CarbonylContact O-C 3.54Å; S934-F937 PolarHBondContact O-N 2.81Å; S934-S938 WeakPolarHBondContact O-CB 2.92Å; S934-S938 PolarHBondContact O-N 2.95Å; S934-S938 PolarHBondContact O-OG 3.33Å |
| 935 | I | 42.9 | Very low | 53.8 | Low | 95 Ų | 95 | 98 Ų | 98 | 49% | 0.487 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67 | -40.1 | -178.6 | -58 | 173.7 | 0 | 0 | 0 | 111.3 | E932 A933 S938 D939 | E932-I935 PolarHBondContact O-N 2.74Å; A933-I935 VanDerWaalsContact C-N 3.3Å; A933-I935 PolarHBondContact O-N 2.87Å; I935-S938 WeakPolarHBondContact CA-OG 3.45Å; I935-S938 PolarHBondContact O-N 3.21Å; I935-S938 PolarHBondContact O-OG 2.92Å; I935-D939 PolarHBondContact O-N 3.43Å |
| 936 | W | 39.7 | Very low | 55 | Low | 222 Ų | 222 | 94.1 Ų | 94.1 | 84% | 0.841 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -72.2 | -36.7 | 175.2 | -76.6 | 59.8 | 0 | 0 | 0 | 111.5 | S940 | W936-S940 PolarHBondContact O-N 3.19Å; W936-S940 PolarHBondContact O-OG 2.92Å |
| 937 | F | 43.4 | Very low | 56.5 | Low | 151 Ų | 151 | 93.4 Ų | 93.4 | 66% | 0.662 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.2 | -40.5 | 172.9 | -85.5 | -74.6 | 0 | 0 | 0 | 111.5 | A933 S934 D939 S940 L941 | A933-F937 VanDerWaalsContact O-CD2 3.32Å; A933-F937 WeakPolarHBondContact O-CD2 3.39Å; S934-F937 CarbonylContact O-C 3.54Å; S934-F937 PolarHBondContact O-N 2.81Å; F937-D939 PolarHBondContact O-N 2.91Å; F937-S940 PolarHBondContact O-N 3.38Å; F937-S940 PolarHBondContact O-OG 2.91Å; F937-L941 WeakPolarHBondContact O-CB 3.35Å; F937-L941 PolarHBondContact O-N 2.99Å |
| 938 | S | 57 | Low | 58 | Low | 30 Ų | 30 | 88.8 Ų | 88.8 | 21% | 0.21 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -65 | -41.7 | -178.6 | 62.3 | 0 | 0 | 0 | 0 | 112.1 | S934 I935 L941 Q942 | S934-S938 WeakPolarHBondContact O-CB 2.92Å; S934-S938 PolarHBondContact O-N 2.95Å; S934-S938 PolarHBondContact O-OG 3.33Å; I935-S938 WeakPolarHBondContact CA-OG 3.45Å; I935-S938 PolarHBondContact O-N 3.21Å; I935-S938 PolarHBondContact O-OG 2.92Å; S938-L941 PolarHBondContact O-N 3.48Å; S938-Q942 WeakPolarHBondContact O-CB 3.35Å; S938-Q942 PolarHBondContact O-N 3.46Å |
| 939 | D | 58.1 | Low | 59.8 | Low | 97 Ų | 97 | 81.1 Ų | 81.1 | 52% | 0.519 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66 | -42.9 | 178.4 | -90.4 | 10.5 | 0 | 0 | 0 | 112.3 | I935 F937 K943 | I935-D939 PolarHBondContact O-N 3.43Å; F937-D939 PolarHBondContact O-N 2.91Å; D939-K943 WeakPolarHBondContact O-CG 3.15Å; D939-K943 PolarHBondContact O-N 3.21Å |
| 940 | S | 62.9 | Low | 62 | Low | 67 Ų | 67 | 77.3 Ų | 77.3 | 47% | 0.469 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.5 | -41.7 | 176.5 | 72.5 | 0 | 0 | 0 | 0 | 111.7 | W936 F937 S944 | W936-S940 PolarHBondContact O-N 3.19Å; W936-S940 PolarHBondContact O-OG 2.92Å; F937-S940 PolarHBondContact O-N 3.38Å; F937-S940 PolarHBondContact O-OG 2.91Å; S940-S944 WeakPolarHBondContact O-CB 3.25Å; S940-S944 PolarHBondContact O-N 3.35Å |
| 941 | L | 65.7 | Low | 64 | Low | 51 Ų | 51 | 71 Ų | 71 | 27% | 0.267 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.2 | -46.4 | 177.1 | -168.2 | 101.6 | 0 | 0 | 0 | 110 | I795 F937 S938 S944 M945 | I795-L941 HydrophobicContact CD1-CD1 3.66Å; I795-L941 HydrophobicContact CD1-CG 4.45Å; F937-L941 WeakPolarHBondContact O-CB 3.35Å; F937-L941 PolarHBondContact O-N 2.99Å; S938-L941 PolarHBondContact O-N 3.48Å; L941-S944 CarbonylContact O-C 3.56Å; L941-S944 WeakPolarHBondContact O-CA 3.45Å; L941-S944 WeakPolarHBondContact O-CB 3.5Å; L941-S944 PolarHBondContact O-N 2.71Å; L941-S944 VanDerWaalsContact O-N 3.13Å; L941-S944 PolarHBondContact O-OG 3.47Å; L941-M945 HydrophobicContact CD2-SD 3.77Å; L941-M945 HydrophobicContact CG-CG 4.46Å; L941-M945 HydrophobicContact CG-SD 4.16Å; L941-M945 WeakPolarHBondContact O-CB 3.34Å; L941-M945 VanDerWaalsContact O-CG 3.27Å; L941-M945 WeakPolarHBondContact O-CG 3.16Å; L941-M945 PolarHBondContact O-N 2.91Å |
| 942 | Q | 69.2 | Low | 66.1 | Low | 109 Ų | 109 | 65.1 Ų | 65.1 | 51% | 0.509 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.6 | -41.8 | -178.8 | -171.4 | 150.4 | -13.8 | 0 | 0 | 112.2 | S938 S944 M945 Q946 | S938-Q942 WeakPolarHBondContact O-CB 3.35Å; S938-Q942 PolarHBondContact O-N 3.46Å; Q942-S944 VanDerWaalsContact C-N 3.31Å; Q942-S944 PolarHBondContact O-N 3.48Å; Q942-M945 PolarHBondContact O-N 3.47Å; Q942-Q946 WeakPolarHBondContact O-CB 3.47Å; Q942-Q946 PolarHBondContact O-N 2.82Å |
| 943 | K | 71.3 | Confident | 68.2 | Low | 149 Ų | 149 | 57.1 Ų | 57.1 | 65% | 0.648 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -60.8 | -40.9 | 171.1 | -74.6 | 175.8 | -178.1 | 172 | 0 | 111.9 | D939 S947 | D939-K943 WeakPolarHBondContact O-CG 3.15Å; D939-K943 PolarHBondContact O-N 3.21Å; K943-S947 PolarHBondContact O-N 2.92Å; K943-S947 VanDerWaalsContact O-N 3.09Å |
| 944 | S | 71.5 | Confident | 70.5 | Confident | 24 Ų | 24 | 53.8 Ų | 53.8 | 17% | 0.168 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 176 | 86.1 | 0 | 0 | 0 | 0 | 111.4 | S940 L941 Q942 S947 R948 | S940-S944 WeakPolarHBondContact O-CB 3.25Å; S940-S944 PolarHBondContact O-N 3.35Å; L941-S944 CarbonylContact O-C 3.56Å; L941-S944 WeakPolarHBondContact O-CA 3.45Å; L941-S944 WeakPolarHBondContact O-CB 3.5Å; L941-S944 PolarHBondContact O-N 2.71Å; L941-S944 VanDerWaalsContact O-N 3.13Å; L941-S944 PolarHBondContact O-OG 3.47Å; Q942-S944 VanDerWaalsContact C-N 3.31Å; Q942-S944 PolarHBondContact O-N 3.48Å; S944-S947 PolarHBondContact O-N 3.19Å; S944-S947 PolarHBondContact O-OG 3.34Å; S944-R948 VanDerWaalsContact O-CG 3.26Å; S944-R948 WeakPolarHBondContact O-CG 3.48Å; S944-R948 PolarHBondContact O-N 2.85Å; S944-R948 VanDerWaalsContact O-N 3.07Å |
| 945 | M | 76.3 | Confident | 72.5 | Confident | 13 Ų | 13 | 52.3 Ų | 52.3 | 6% | 0.064 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 178.9 | -72.4 | -179.8 | 80.3 | 0 | 0 | 111.3 | L919 Q923 L941 Q942 S947 R948 A949 L1001 | L919-M945 WeakPolarHBondContact O-CE 3.34Å; Q923-M945 HydrophobicContact CB-CE 4.01Å; L941-M945 HydrophobicContact CD2-SD 3.77Å; L941-M945 HydrophobicContact CG-CG 4.46Å; L941-M945 HydrophobicContact CG-SD 4.16Å; L941-M945 WeakPolarHBondContact O-CB 3.34Å; L941-M945 VanDerWaalsContact O-CG 3.27Å; L941-M945 WeakPolarHBondContact O-CG 3.16Å; L941-M945 PolarHBondContact O-N 2.91Å; Q942-M945 PolarHBondContact O-N 3.47Å; M945-S947 PolarHBondContact O-N 2.86Å; M945-R948 PolarHBondContact O-N 2.95Å; M945-A949 VanDerWaalsContact O-CB 3.31Å; M945-A949 WeakPolarHBondContact O-CB 3.31Å; M945-A949 PolarHBondContact O-N 3.4Å; M945-L1001 HydrophobicContact CE-CD2 3.84Å |
| 946 | Q | 82.2 | Confident | 74.8 | Confident | 26 Ų | 26 | 47.8 Ų | 47.8 | 12% | 0.121 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.1 | -45.7 | 175 | 179.8 | 176.4 | -14.3 | 0 | 0 | 111.7 | Q942 R948 A949 L950 V1002 D1006 | Q942-Q946 WeakPolarHBondContact O-CB 3.47Å; Q942-Q946 PolarHBondContact O-N 2.82Å; Q946-R948 VanDerWaalsContact C-N 3.33Å; Q946-R948 PolarHBondContact O-N 2.96Å; Q946-A949 PolarHBondContact O-N 3.27Å; Q946-L950 HydrophobicContact CG-CD1 4.3Å; Q946-L950 WeakPolarHBondContact O-CB 3.43Å; Q946-L950 WeakPolarHBondContact O-CG 3.22Å; Q946-L950 PolarHBondContact O-N 2.87Å; Q946-V1002 HydrophobicContact CG-CB 4.4Å; Q946-V1002 HydrophobicContact CG-CG1 4.05Å; Q946-V1002 HydrophobicContact CG-CG2 4.29Å; Q946-D1006 PolarHBondContact NE2-OD2 3.08Å |
| 947 | S | 80 | Confident | 77.1 | Confident | 32 Ų | 32 | 39.1 Ų | 39.1 | 22% | 0.224 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.2 | -39.2 | 178.4 | 71 | 0 | 0 | 0 | 0 | 112.8 | K943 S944 M945 Q951 | K943-S947 PolarHBondContact O-N 2.92Å; K943-S947 VanDerWaalsContact O-N 3.09Å; S944-S947 PolarHBondContact O-N 3.19Å; S944-S947 PolarHBondContact O-OG 3.34Å; M945-S947 PolarHBondContact O-N 2.86Å; S947-Q951 PolarHBondContact O-N 2.97Å; S947-Q951 VanDerWaalsContact O-N 3.07Å |
| 948 | R | 82.6 | Confident | 79.3 | Confident | 27 Ų | 27 | 31.9 Ų | 31.9 | 10% | 0.102 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68 | -44.3 | 176.3 | -67.2 | 168.8 | -170.7 | -141.5 | 2.2 | 111 | F793 I795 D830 S944 M945 Q946 L950 Q951 I952 | F793-R948 VanDerWaalsContact C-NH1 3.27Å; F793-R948 HydrophobicContact CD1-CB 4.15Å; F793-R948 HydrophobicContact CD1-CG 4.3Å; F793-R948 WeakPolarHBondContact O-CD 3.31Å; F793-R948 PolarHBondContact O-NH1 2.92Å; I795-R948 VanDerWaalsContact CG1-NH1 3.27Å; D830-R948 IonicContact OD1-NH2 3.55Å; D830-R948 PolarHBondContact OD1-NH2 3.35Å; D830-R948 IonicContact OD2-NH2 3.95Å; S944-R948 VanDerWaalsContact O-CG 3.26Å; S944-R948 WeakPolarHBondContact O-CG 3.48Å; S944-R948 PolarHBondContact O-N 2.85Å; S944-R948 VanDerWaalsContact O-N 3.07Å; M945-R948 PolarHBondContact O-N 2.95Å; Q946-R948 VanDerWaalsContact C-N 3.33Å; Q946-R948 PolarHBondContact O-N 2.96Å; R948-L950 PolarHBondContact O-N 3.12Å; R948-Q951 PolarHBondContact O-N 3.32Å; R948-I952 WeakPolarHBondContact O-CG1 3.07Å; R948-I952 PolarHBondContact O-N 3.46Å |
| 949 | A | 85 | Confident | 80.8 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.4 | -47.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | M945 Q946 Q951 I952 M953 L998 L1001 V1002 | M945-A949 VanDerWaalsContact O-CB 3.31Å; M945-A949 WeakPolarHBondContact O-CB 3.31Å; M945-A949 PolarHBondContact O-N 3.4Å; Q946-A949 PolarHBondContact O-N 3.27Å; A949-Q951 VanDerWaalsContact C-N 3.34Å; A949-Q951 PolarHBondContact O-N 3.46Å; A949-I952 PolarHBondContact O-N 3.13Å; A949-M953 WeakPolarHBondContact O-CB 3.13Å; A949-M953 WeakPolarHBondContact O-CG 3.43Å; A949-M953 PolarHBondContact O-N 3.24Å; A949-L998 HydrophobicContact CB-CD2 4.03Å; A949-L1001 HydrophobicContact CB-CB 3.93Å; A949-L1001 HydrophobicContact CB-CD1 4.2Å; A949-V1002 HydrophobicContact CB-CG2 4.16Å |
| 950 | L | 87.2 | Confident | 82 | Confident | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.1 | -40.9 | 176.9 | -72.2 | 174.3 | 0 | 0 | 0 | 112.5 | P865 Q946 R948 M953 F954 V1002 W1007 C1010 L1014 | P865-L950 HydrophobicContact CG-CB 4.31Å; P865-L950 WeakPolarHBondContact CG-O 3.47Å; Q946-L950 HydrophobicContact CG-CD1 4.3Å; Q946-L950 WeakPolarHBondContact O-CB 3.43Å; Q946-L950 WeakPolarHBondContact O-CG 3.22Å; Q946-L950 PolarHBondContact O-N 2.87Å; R948-L950 PolarHBondContact O-N 3.12Å; L950-M953 HydrophobicContact CD2-SD 4.39Å; L950-M953 PolarHBondContact O-N 3.45Å; L950-F954 WeakPolarHBondContact O-CB 3.46Å; L950-F954 PolarHBondContact O-N 3.28Å; L950-V1002 HydrophobicContact CD2-CG1 4.33Å; L950-V1002 HydrophobicContact CD2-CG2 4.13Å; L950-V1002 HydrophobicContact CG-CG2 4.25Å; L950-W1007 HydrophobicContact CD2-CE3 4.1Å; L950-W1007 HydrophobicContact CD2-CZ3 4.02Å; L950-C1010 HydrophobicContact CD2-CB 4.32Å; L950-L1014 HydrophobicContact CD2-CD1 4.13Å |
| 951 | Q | 87.6 | Confident | 82.9 | Confident | 3 Ų | 3 | 29.8 Ų | 29.8 | 1% | 0.014 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.2 | -43.8 | 176 | -176.3 | 62.3 | 52.8 | 0 | 0 | 112 | F793 Q867 S869 S947 R948 A949 M953 F954 D955 | F793-Q951 HydrophobicContact CE1-CB 4.02Å; F793-Q951 HydrophobicContact CE1-CG 3.86Å; F793-Q951 HydrophobicContact CZ-CB 4.44Å; F793-Q951 HydrophobicContact CZ-CG 3.89Å; Q867-Q951 PolarHBondContact O-NE2 2.94Å; S869-Q951 VanDerWaalsContact N-NE2 3.13Å; S947-Q951 PolarHBondContact O-N 2.97Å; S947-Q951 VanDerWaalsContact O-N 3.07Å; R948-Q951 PolarHBondContact O-N 3.32Å; A949-Q951 VanDerWaalsContact C-N 3.34Å; A949-Q951 PolarHBondContact O-N 3.46Å; Q951-M953 VanDerWaalsContact C-N 3.34Å; Q951-M953 PolarHBondContact O-N 2.86Å; Q951-F954 WeakPolarHBondContact O-CB 3.36Å; Q951-F954 PolarHBondContact O-N 3.42Å; Q951-D955 PolarHBondContact NE2-OD1 3.25Å; Q951-D955 PolarHBondContact O-N 3.17Å |
| 952 | I | 88.6 | Confident | 83.7 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.9 | -42.8 | 176.7 | -64.8 | 168.2 | 0 | 0 | 0 | 110.1 | F793 Y912 I915 V916 L919 R948 A949 F954 D955 L956 L998 | F793-I952 HydrophobicContact CD1-CD1 4.16Å; F793-I952 HydrophobicContact CD1-CG1 4.1Å; F793-I952 HydrophobicContact CD2-CD1 4.31Å; F793-I952 HydrophobicContact CD2-CG1 4.22Å; F793-I952 HydrophobicContact CE1-CD1 4.42Å; F793-I952 HydrophobicContact CE1-CG1 3.85Å; F793-I952 HydrophobicContact CE2-CG1 3.96Å; F793-I952 HydrophobicContact CG-CD1 4.11Å; F793-I952 HydrophobicContact CG-CG1 4.28Å; F793-I952 HydrophobicContact CZ-CG1 3.78Å; Y912-I952 HydrophobicContact CD1-CG2 3.68Å; Y912-I952 HydrophobicContact CE1-CG1 4.46Å; Y912-I952 HydrophobicContact CE1-CG2 3.86Å; I915-I952 HydrophobicContact CG2-CD1 4.46Å; V916-I952 HydrophobicContact CG2-CG2 4.25Å; L919-I952 HydrophobicContact CD1-CD1 3.38Å; R948-I952 WeakPolarHBondContact O-CG1 3.07Å; R948-I952 PolarHBondContact O-N 3.46Å; A949-I952 PolarHBondContact O-N 3.13Å; I952-F954 VanDerWaalsContact C-N 3.28Å; I952-F954 PolarHBondContact O-N 2.85Å; I952-D955 PolarHBondContact O-N 3.41Å; I952-L956 HydrophobicContact CG2-CD1 3.99Å; I952-L956 HydrophobicContact CG2-CG 4.15Å; I952-L956 WeakPolarHBondContact O-CB 3.49Å; I952-L956 VanDerWaalsContact O-CG 3.28Å; I952-L956 WeakPolarHBondContact O-CG 3.29Å; I952-L956 PolarHBondContact O-N 2.85Å; I952-L998 HydrophobicContact CB-CD1 4Å; I952-L998 HydrophobicContact CG2-CD1 3.49Å; I952-L998 VanDerWaalsContact CG2-CD1 3.49Å |
| 953 | M | 89.8 | Confident | 84 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61 | -37.7 | 175.7 | -68.1 | 172.2 | 89 | 0 | 0 | 112.3 | A949 L950 Q951 K957 I995 L998 E999 V1002 W1007 L1014 | A949-M953 WeakPolarHBondContact O-CB 3.13Å; A949-M953 WeakPolarHBondContact O-CG 3.43Å; A949-M953 PolarHBondContact O-N 3.24Å; L950-M953 HydrophobicContact CD2-SD 4.39Å; L950-M953 PolarHBondContact O-N 3.45Å; Q951-M953 VanDerWaalsContact C-N 3.34Å; Q951-M953 PolarHBondContact O-N 2.86Å; M953-K957 WeakPolarHBondContact O-CB 3.36Å; M953-K957 WeakPolarHBondContact O-CG 3.49Å; M953-K957 PolarHBondContact O-N 3.11Å; M953-I995 HydrophobicContact CE-CG2 3.83Å; M953-L998 HydrophobicContact CG-CB 3.72Å; M953-L998 HydrophobicContact CG-CD1 3.77Å; M953-L998 HydrophobicContact CG-CG 4.38Å; M953-L998 HydrophobicContact SD-CB 4.02Å; M953-E999 HydrophobicContact CE-CG 3.49Å; M953-E999 VanDerWaalsContact CE-CG 3.49Å; M953-V1002 HydrophobicContact SD-CG2 4.35Å; M953-W1007 HydrophobicContact CE-CE3 4.07Å; M953-W1007 HydrophobicContact CE-CH2 3.11Å; M953-W1007 HydrophobicContact CE-CZ2 3.59Å; M953-W1007 HydrophobicContact CE-CZ3 3.37Å; M953-W1007 HydrophobicContact SD-CH2 4.22Å; M953-W1007 HydrophobicContact SD-CZ3 3.91Å; M953-L1014 HydrophobicContact CB-CD1 4.5Å |
| 954 | F | 91 | Very high | 84.1 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.3 | -51.3 | 173.4 | -179.2 | -79 | 0 | 0 | 0 | 111 | P865 Q867 L868 L950 Q951 I952 L956 K957 F958 L1014 N1017 V1018 T1021 | P865-F954 HydrophobicContact CB-CB 4.1Å; P865-F954 HydrophobicContact CB-CD2 4.21Å; P865-F954 HydrophobicContact CB-CG 4.18Å; P865-F954 HydrophobicContact CG-CB 3.65Å; P865-F954 HydrophobicContact CG-CD2 4.06Å; P865-F954 HydrophobicContact CG-CG 4.1Å; Q867-F954 WeakPolarHBondContact O-CD1 3.16Å; Q867-F954 VanDerWaalsContact O-CE1 3.29Å; Q867-F954 WeakPolarHBondContact O-CE1 3.49Å; L868-F954 HydrophobicContact CG-CE1 4.29Å; L950-F954 WeakPolarHBondContact O-CB 3.46Å; L950-F954 PolarHBondContact O-N 3.28Å; Q951-F954 WeakPolarHBondContact O-CB 3.36Å; Q951-F954 PolarHBondContact O-N 3.42Å; I952-F954 VanDerWaalsContact C-N 3.28Å; I952-F954 PolarHBondContact O-N 2.85Å; F954-L956 PolarHBondContact O-N 2.85Å; F954-K957 PolarHBondContact O-N 3.36Å; F954-F958 HydrophobicContact CE1-CB 4.46Å; F954-F958 WeakPolarHBondContact O-CB 3.31Å; F954-F958 PolarHBondContact O-N 3.36Å; F954-L1014 HydrophobicContact CB-CD1 4.49Å; F954-L1014 HydrophobicContact CD2-CG 4.37Å; F954-N1017 HydrophobicContact CE2-CB 3.87Å; F954-V1018 HydrophobicContact CD2-CG2 3.54Å; F954-V1018 HydrophobicContact CE2-CB 4.36Å; F954-V1018 HydrophobicContact CE2-CG2 3.61Å; F954-V1018 HydrophobicContact CG-CG2 4.02Å; F954-V1018 HydrophobicContact CZ-CG2 4.12Å; F954-T1021 HydrophobicContact CZ-CG2 4.18Å; F954-T1021 WeakPolarHBondContact CZ-OG1 3.44Å |
| 955 | D | 90.4 | Very high | 83.6 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.5 | -44.6 | -179.9 | -63.3 | -12.7 | 0 | 0 | 0 | 111.5 | L868 S869 Y912 Q951 I952 K957 F958 L959 | L868-D955 WeakPolarHBondContact CA-OD1 3.36Å; L868-D955 HydrophobicContact CD2-CB 4.49Å; S869-D955 WeakPolarHBondContact CB-OD2 3.28Å; S869-D955 PolarHBondContact N-OD1 3.3Å; S869-D955 PolarHBondContact OG-OD2 3.1Å; Y912-D955 HydrophobicContact CE1-CB 4.49Å; Y912-D955 WeakPolarHBondContact OH-CB 3.42Å; Y912-D955 PolarHBondContact OH-OD2 2.73Å; Q951-D955 PolarHBondContact NE2-OD1 3.25Å; Q951-D955 PolarHBondContact O-N 3.17Å; I952-D955 PolarHBondContact O-N 3.41Å; D955-K957 PolarHBondContact O-N 3.46Å; D955-F958 WeakPolarHBondContact O-CB 3.49Å; D955-F958 PolarHBondContact O-N 2.85Å; D955-L959 WeakPolarHBondContact O-CB 3.4Å; D955-L959 VanDerWaalsContact O-CG 3.31Å; D955-L959 WeakPolarHBondContact O-CG 3.42Å; D955-L959 PolarHBondContact O-N 3.46Å |
| 956 | L | 90.5 | Very high | 82.3 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.7 | -46.6 | 177.8 | -71.8 | 177.5 | 0 | 0 | 0 | 111.5 | F909 Y912 I952 F954 F958 L959 Q960 L994 I995 L998 | F909-L956 HydrophobicContact CD1-CD2 3.47Å; F909-L956 VanDerWaalsContact CD1-CD2 3.47Å; F909-L956 HydrophobicContact CE1-CD2 3.54Å; Y912-L956 HydrophobicContact CD1-CD2 4.41Å; Y912-L956 HydrophobicContact CD2-CD2 3.98Å; Y912-L956 HydrophobicContact CE2-CD2 4.49Å; Y912-L956 HydrophobicContact CG-CD2 3.9Å; I952-L956 HydrophobicContact CG2-CD1 3.99Å; I952-L956 HydrophobicContact CG2-CG 4.15Å; I952-L956 WeakPolarHBondContact O-CB 3.49Å; I952-L956 VanDerWaalsContact O-CG 3.28Å; I952-L956 WeakPolarHBondContact O-CG 3.29Å; I952-L956 PolarHBondContact O-N 2.85Å; F954-L956 PolarHBondContact O-N 2.85Å; L956-F958 VanDerWaalsContact C-N 3.34Å; L956-L959 PolarHBondContact O-N 3.04Å; L956-Q960 WeakPolarHBondContact O-CB 3.34Å; L956-Q960 PolarHBondContact O-N 3.27Å; L956-L994 HydrophobicContact CD1-CB 3.94Å; L956-L994 HydrophobicContact CD2-CD1 4.5Å; L956-I995 HydrophobicContact CB-CG1 4.48Å; L956-I995 HydrophobicContact CD1-CG1 4.25Å; L956-L998 HydrophobicContact CD1-CD1 3.87Å |
| 957 | K | 89.2 | Confident | 80.6 | Confident | 40 Ų | 40 | 19.8 Ų | 19.8 | 17% | 0.174 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67.7 | -34.5 | 176.7 | -74.3 | -175.9 | -170.3 | -71.8 | 0 | 112.3 | M953 F954 D955 R961 I995 L1014 I1015 V1018 | M953-K957 WeakPolarHBondContact O-CB 3.36Å; M953-K957 WeakPolarHBondContact O-CG 3.49Å; M953-K957 PolarHBondContact O-N 3.11Å; F954-K957 PolarHBondContact O-N 3.36Å; D955-K957 PolarHBondContact O-N 3.46Å; K957-R961 WeakPolarHBondContact O-CB 3.23Å; K957-R961 PolarHBondContact O-N 3.01Å; K957-R961 VanDerWaalsContact O-N 3.08Å; K957-I995 HydrophobicContact CG-CD1 3.89Å; K957-L1014 HydrophobicContact CD-CD2 3.59Å; K957-I1015 HydrophobicContact CD-CG1 4.43Å; K957-V1018 HydrophobicContact CB-CG1 4.39Å; K957-V1018 HydrophobicContact CB-CG2 4.08Å |
| 958 | F | 88.8 | Confident | 78.8 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.9 | -52.6 | 174 | -177.6 | -80.4 | 0 | 0 | 0 | 111 | L868 L876 F954 D955 L956 Q960 R961 L962 V1018 T1021 I1022 Y1029 | L868-F958 HydrophobicContact CD1-CD1 3.74Å; L868-F958 HydrophobicContact CD1-CD2 4Å; L868-F958 HydrophobicContact CD1-CE1 3.5Å; L868-F958 HydrophobicContact CD1-CE2 3.77Å; L868-F958 HydrophobicContact CD1-CG 4Å; L868-F958 HydrophobicContact CD1-CZ 3.56Å; L868-F958 HydrophobicContact CD2-CB 4.15Å; L868-F958 HydrophobicContact CD2-CD1 3.57Å; L868-F958 HydrophobicContact CD2-CE1 4.15Å; L868-F958 HydrophobicContact CD2-CG 3.84Å; L868-F958 HydrophobicContact CG-CD1 3.96Å; L868-F958 HydrophobicContact CG-CD2 4.18Å; L868-F958 HydrophobicContact CG-CE1 4.25Å; L868-F958 HydrophobicContact CG-CE2 4.45Å; L868-F958 HydrophobicContact CG-CG 3.95Å; L876-F958 HydrophobicContact CD1-CE1 3.99Å; F954-F958 HydrophobicContact CE1-CB 4.46Å; F954-F958 WeakPolarHBondContact O-CB 3.31Å; F954-F958 PolarHBondContact O-N 3.36Å; D955-F958 WeakPolarHBondContact O-CB 3.49Å; D955-F958 PolarHBondContact O-N 2.85Å; L956-F958 VanDerWaalsContact C-N 3.34Å; F958-Q960 VanDerWaalsContact C-N 3.35Å; F958-Q960 PolarHBondContact O-N 2.79Å; F958-R961 PolarHBondContact O-N 3.06Å; F958-L962 HydrophobicContact CD1-CB 4.46Å; F958-L962 HydrophobicContact CE1-CB 4.17Å; F958-L962 HydrophobicContact CE1-CD1 4.28Å; F958-L962 HydrophobicContact CE1-CD2 3.89Å; F958-L962 HydrophobicContact CE1-CG 4.34Å; F958-L962 HydrophobicContact CZ-CD1 4.25Å; F958-L962 WeakPolarHBondContact O-CB 3.23Å; F958-L962 PolarHBondContact O-N 3Å; F958-V1018 HydrophobicContact CB-CG1 4.27Å; F958-T1021 HydrophobicContact CD2-CG2 4.25Å; F958-T1021 HydrophobicContact CE2-CG2 3.95Å; F958-I1022 HydrophobicContact CD2-CD1 4.2Å; F958-I1022 HydrophobicContact CD2-CG1 3.45Å; F958-I1022 VanDerWaalsContact CD2-CG1 3.45Å; F958-I1022 HydrophobicContact CE2-CB 4.17Å; F958-I1022 HydrophobicContact CE2-CD1 4.42Å; F958-I1022 HydrophobicContact CE2-CG1 3.27Å; F958-I1022 HydrophobicContact CG-CG1 4.28Å; F958-I1022 HydrophobicContact CZ-CG1 3.96Å; F958-Y1029 HydrophobicContact CE1-CD2 4.47Å; F958-Y1029 HydrophobicContact CE1-CE2 4.05Å; F958-Y1029 HydrophobicContact CZ-CD2 4.18Å; F958-Y1029 AromaticContact CZ-CE2 3.69Å; F958-Y1029 HydrophobicContact CZ-CE2 3.69Å |
| 959 | L | 88.2 | Confident | 76.9 | Confident | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.5 | -43 | 178.9 | -70.8 | 172.5 | 0 | 0 | 0 | 111.5 | L876 L908 F909 Y912 D955 L956 R961 L962 L963 | L876-L959 HydrophobicContact CD1-CD2 4.04Å; L876-L959 HydrophobicContact CD2-CD2 3.95Å; L876-L959 HydrophobicContact CG-CD2 4.31Å; L908-L959 HydrophobicContact CD1-CD1 4.36Å; L908-L959 HydrophobicContact CD1-CD2 4.28Å; F909-L959 HydrophobicContact CE1-CB 4.21Å; F909-L959 HydrophobicContact CE1-CD1 4.4Å; F909-L959 HydrophobicContact CZ-CB 4.05Å; Y912-L959 HydrophobicContact CE2-CD1 3.76Å; D955-L959 WeakPolarHBondContact O-CB 3.4Å; D955-L959 VanDerWaalsContact O-CG 3.31Å; D955-L959 WeakPolarHBondContact O-CG 3.42Å; D955-L959 PolarHBondContact O-N 3.46Å; L956-L959 PolarHBondContact O-N 3.04Å; L959-R961 VanDerWaalsContact C-N 3.33Å; L959-R961 PolarHBondContact O-N 3.46Å; L959-L962 PolarHBondContact O-N 3.43Å; L959-L963 HydrophobicContact CD2-CD1 3.94Å; L959-L963 WeakPolarHBondContact O-CB 3.38Å; L959-L963 PolarHBondContact O-N 3.17Å |
| 960 | Q | 84.7 | Confident | 75.1 | Confident | 33 Ų | 33 | 30.7 Ų | 30.7 | 15% | 0.154 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -52.2 | -52.5 | 172.8 | -178 | 176.9 | 36.9 | 0 | 0 | 111 | L956 F958 V964 I991 | L956-Q960 WeakPolarHBondContact O-CB 3.34Å; L956-Q960 PolarHBondContact O-N 3.27Å; F958-Q960 VanDerWaalsContact C-N 3.35Å; F958-Q960 PolarHBondContact O-N 2.79Å; Q960-V964 WeakPolarHBondContact O-CA 3.47Å; Q960-V964 WeakPolarHBondContact O-CB 3.48Å; Q960-V964 PolarHBondContact O-N 2.85Å; Q960-I991 HydrophobicContact CB-CD1 3.86Å; Q960-I991 HydrophobicContact CB-CG2 4.31Å; Q960-I991 HydrophobicContact CG-CD1 3.88Å; Q960-I991 HydrophobicContact CG-CG2 4.37Å |
| 961 | R | 81.1 | Confident | 72.9 | Confident | 115 Ų | 115 | 39.4 Ų | 39.4 | 43% | 0.434 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -74.7 | -29.2 | -174.7 | -166.7 | 71.1 | 173.3 | -173.9 | 2.2 | 113 | K957 F958 L959 I1022 | K957-R961 WeakPolarHBondContact O-CB 3.23Å; K957-R961 PolarHBondContact O-N 3.01Å; K957-R961 VanDerWaalsContact O-N 3.08Å; F958-R961 PolarHBondContact O-N 3.06Å; L959-R961 VanDerWaalsContact C-N 3.33Å; L959-R961 PolarHBondContact O-N 3.46Å; R961-I1022 HydrophobicContact CB-CD1 3.48Å; R961-I1022 VanDerWaalsContact CB-CD1 3.48Å; R961-I1022 HydrophobicContact CG-CD1 3.46Å; R961-I1022 VanDerWaalsContact CG-CD1 3.46Å |
| 962 | L | 81.9 | Confident | 70.9 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -77.2 | -49.6 | 178.8 | -169.3 | 84.3 | 0 | 0 | 0 | 111.8 | L876 F958 L959 Y1029 L1033 S1037 | L876-L962 HydrophobicContact CD1-CD2 4.3Å; L876-L962 HydrophobicContact CD2-CD2 4.38Å; F958-L962 HydrophobicContact CD1-CB 4.46Å; F958-L962 HydrophobicContact CE1-CB 4.17Å; F958-L962 HydrophobicContact CE1-CD1 4.28Å; F958-L962 HydrophobicContact CE1-CD2 3.89Å; F958-L962 HydrophobicContact CE1-CG 4.34Å; F958-L962 HydrophobicContact CZ-CD1 4.25Å; F958-L962 WeakPolarHBondContact O-CB 3.23Å; F958-L962 PolarHBondContact O-N 3Å; L959-L962 PolarHBondContact O-N 3.43Å; L962-Y1029 HydrophobicContact CD1-CD2 4.17Å; L962-Y1029 HydrophobicContact CD2-CD2 4.08Å; L962-Y1029 HydrophobicContact CD2-CG 4.19Å; L962-L1033 HydrophobicContact CD1-CD2 3.62Å; L962-L1033 HydrophobicContact CG-CD2 3.9Å; L962-S1037 PolarHBondContact O-OG 3.37Å |
| 963 | L | 77 | Confident | 69.1 | Low | 10 Ų | 10 | 43.2 Ų | 43.2 | 5% | 0.052 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -101.2 | -30.2 | -166.8 | -55 | 178.1 | 0 | 0 | 0 | 113.3 | L901 V904 C905 L908 L959 S965 I1032 | L901-L963 HydrophobicContact CD2-CD2 4.19Å; V904-L963 HydrophobicContact CG1-CD1 4.28Å; C905-L963 WeakPolarHBondContact SG-CB 3.43Å; L908-L963 HydrophobicContact CD1-CD1 4.44Å; L959-L963 HydrophobicContact CD2-CD1 3.94Å; L959-L963 WeakPolarHBondContact O-CB 3.38Å; L959-L963 PolarHBondContact O-N 3.17Å; L963-S965 PolarHBondContact O-N 2.8Å; L963-I1032 HydrophobicContact CD2-CG2 3.41Å; L963-I1032 VanDerWaalsContact CD2-CG2 3.41Å |
| 964 | V | 71.6 | Confident | 67.3 | Low | 22 Ų | 22 | 49.9 Ų | 49.9 | 13% | 0.133 | 29% | 0.285 | C | S | . | . | trans | -94 | 83.9 | -178.7 | -168.9 | 0 | 0 | 0 | 0 | 109.4 | Q960 I987 I991 | Q960-V964 WeakPolarHBondContact O-CA 3.47Å; Q960-V964 WeakPolarHBondContact O-CB 3.48Å; Q960-V964 PolarHBondContact O-N 2.85Å; V964-I987 HydrophobicContact CG2-CG2 3.55Å; V964-I991 HydrophobicContact CG2-CD1 4.06Å | ||
| 965 | S | 61.6 | Low | 65.4 | Low | 9 Ų | 9 | 53.1 Ų | 53.1 | 6% | 0.063 | 31% | 0.312 | C | S | . | . | trans | -80.6 | 137.8 | 170.1 | -177.8 | 0 | 0 | 0 | 0 | 111.1 | L963 V967 S1036 | L963-S965 PolarHBondContact O-N 2.8Å; S965-V967 PolarHBondContact O-N 3.47Å; S965-V967 VanDerWaalsContact O-N 3.16Å; S965-S1036 WeakPolarHBondContact CB-OG 3.28Å; S965-S1036 WeakPolarHBondContact OG-CB 3.44Å; S965-S1036 PolarHBondContact OG-OG 3.19Å | ||
| 966 | S | 48.4 | Very low | 63.7 | Low | 89 Ų | 89 | 56.6 Ų | 56.6 | 62% | 0.622 | 33% | 0.328 | S | S | * | . | trans | -69.2 | 105.9 | 160.1 | 59.5 | 0 | 0 | 0 | 0 | 108.4 | S968 Q1040 | S966-S968 PolarHBondContact O-N 3.34Å; S966-Q1040 PolarHBondContact OG-NE2 3.44Å; S966-Q1040 VanDerWaalsContact OG-NE2 3.11Å | ||
| 967 | V | 46.3 | Very low | 61.9 | Low | 31 Ų | 31 | 59.9 Ų | 59.9 | 19% | 0.188 | 34% | 0.343 | C | S | . | . | trans | -82.8 | 110.7 | -173.6 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | S965 V969 I980 | S965-V967 PolarHBondContact O-N 3.47Å; S965-V967 VanDerWaalsContact O-N 3.16Å; V967-V969 HydrophobicContact CG1-CB 3.56Å; V967-V969 HydrophobicContact CG1-CG2 3.07Å; V967-V969 PolarHBondContact O-N 2.65Å; V967-I980 HydrophobicContact CB-CG2 4.22Å; V967-I980 HydrophobicContact CG1-CG2 4.24Å; V967-I980 HydrophobicContact CG2-CG2 4.27Å | ||
| 968 | S | 42.5 | Very low | 60.3 | Low | 115 Ų | 115 | 62.7 Ų | 62.7 | 80% | 0.804 | 36% | 0.359 | S | S | * | . | trans | -93.6 | 60.8 | 165.4 | 61.7 | 0 | 0 | 0 | 0 | 110.4 | S966 S970 | S966-S968 PolarHBondContact O-N 3.34Å; S968-S970 PolarHBondContact O-N 3.24Å | ||
| 969 | V | 43.2 | Very low | 58.7 | Low | 65 Ų | 65 | 66.3 Ų | 66.3 | 39% | 0.394 | 38% | 0.376 | S | S | . | . | trans | -79.5 | 109.3 | -176.4 | 161.3 | 0 | 0 | 0 | 0 | 110.5 | V967 E971 A972 K977 | V967-V969 HydrophobicContact CG1-CB 3.56Å; V967-V969 HydrophobicContact CG1-CG2 3.07Å; V967-V969 PolarHBondContact O-N 2.65Å; V969-E971 PolarHBondContact O-N 2.99Å; V969-A972 HydrophobicContact CG1-CB 3.61Å; V969-K977 WeakPolarHBondContact O-CE 3.3Å; V969-K977 PolarHBondContact O-NZ 3.22Å | ||
| 970 | S | 46.4 | Very low | 57.4 | Low | 107 Ų | 107 | 67 Ų | 67 | 75% | 0.748 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -65.4 | -25 | 175.1 | -174.3 | 0 | 0 | 0 | 0 | 112.8 | S968 | S968-S970 PolarHBondContact O-N 3.24Š|
| 971 | E | 42.9 | Very low | 56.3 | Low | 186 Ų | 186 | 68.7 Ų | 68.7 | 87% | 0.869 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -113.3 | 1.3 | -160.1 | -65 | -178 | 165.4 | 0 | 0 | 116.6 | V969 | V969-E971 PolarHBondContact O-N 2.99Š|
| 972 | A | 44.8 | Very low | 55.5 | Low | 21 Ų | 21 | 68.5 Ų | 68.5 | 17% | 0.174 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -89.5 | 147.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | V969 Q976 K977 | V969-A972 HydrophobicContact CG1-CB 3.61Å; A972-Q976 HydrophobicContact CB-CB 4.21Å; A972-K977 HydrophobicContact CB-CG 4.14Å; A972-K977 WeakPolarHBondContact O-CE 3.23Å |
| 973 | S | 50.8 | Low | 54.8 | Low | 62 Ų | 62 | 69.5 Ų | 69.5 | 43% | 0.434 | 40% | 0.403 | S | S | . | . | trans | -59.1 | 149 | 174.3 | 66.2 | 0 | 0 | 0 | 0 | 111.2 | A975 Q976 K977 | S973-A975 PolarHBondContact O-N 3.5Å; S973-A975 VanDerWaalsContact O-N 3.1Å; S973-Q976 PolarHBondContact O-N 2.91Å; S973-Q976 WeakPolarHBondContact OG-CG 3.39Å; S973-Q976 PolarHBondContact OG-OE1 3.47Å; S973-K977 PolarHBondContact O-N 3.21Å | ||
| 974 | L | 52.7 | Low | 54.6 | Low | 140 Ų | 140 | 69.8 Ų | 69.8 | 73% | 0.733 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -51.6 | -36.6 | -177.4 | -81 | 160.2 | 0 | 0 | 0 | 113.1 | N978 | L974-N978 PolarHBondContact O-N 3.37Å |
| 975 | A | 51.2 | Low | 54.8 | Low | 68 Ų | 68 | 76 Ų | 76 | 56% | 0.562 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -66.7 | -44.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S973 N978 Q979 | S973-A975 PolarHBondContact O-N 3.5Å; S973-A975 VanDerWaalsContact O-N 3.1Å; A975-N978 PolarHBondContact O-N 2.75Å; A975-Q979 PolarHBondContact O-N 3.19Å |
| 976 | Q | 53.5 | Low | 55.5 | Low | 73 Ų | 73 | 79.8 Ų | 79.8 | 34% | 0.341 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.1 | -38.2 | 176.7 | -72.9 | 172.5 | -11.3 | 0 | 0 | 111.6 | A972 S973 N978 Q979 I980 | A972-Q976 HydrophobicContact CB-CB 4.21Å; S973-Q976 PolarHBondContact O-N 2.91Å; S973-Q976 WeakPolarHBondContact OG-CG 3.39Å; S973-Q976 PolarHBondContact OG-OE1 3.47Å; Q976-N978 VanDerWaalsContact C-N 3.29Å; Q976-N978 PolarHBondContact O-N 3.4Å; Q976-Q979 PolarHBondContact O-N 2.86Å; Q976-I980 WeakPolarHBondContact O-CB 3.31Å; Q976-I980 VanDerWaalsContact O-CG1 3.27Å; Q976-I980 WeakPolarHBondContact O-CG1 3.33Å; Q976-I980 PolarHBondContact O-N 3.3Å |
| 977 | K | 52.9 | Low | 56.9 | Low | 69 Ų | 69 | 75.8 Ų | 75.8 | 30% | 0.3 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -56.1 | -43.1 | 173.3 | -76.8 | 179 | 172.4 | 172.6 | 0 | 111.8 | V969 A972 S973 N981 | V969-K977 WeakPolarHBondContact O-CE 3.3Å; V969-K977 PolarHBondContact O-NZ 3.22Å; A972-K977 HydrophobicContact CB-CG 4.14Å; A972-K977 WeakPolarHBondContact O-CE 3.23Å; S973-K977 PolarHBondContact O-N 3.21Å; K977-N981 VanDerWaalsContact O-CB 3.27Å; K977-N981 WeakPolarHBondContact O-CB 3.43Å; K977-N981 VanDerWaalsContact O-CG 3.24Å; K977-N981 PolarHBondContact O-N 3Å; K977-N981 PolarHBondContact O-ND2 2.86Å |
| 978 | N | 55 | Low | 58.7 | Low | 98 Ų | 98 | 77.1 Ų | 77.1 | 52% | 0.524 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65 | -45.8 | 179.6 | -72.4 | -12.9 | 0 | 0 | 0 | 111.7 | L974 A975 Q976 N981 I982 | L974-N978 PolarHBondContact O-N 3.37Å; A975-N978 PolarHBondContact O-N 2.75Å; Q976-N978 VanDerWaalsContact C-N 3.29Å; Q976-N978 PolarHBondContact O-N 3.4Å; N978-N981 PolarHBondContact O-N 2.83Å; N978-I982 WeakPolarHBondContact O-CB 3.42Å; N978-I982 VanDerWaalsContact O-CD1 3.31Å; N978-I982 WeakPolarHBondContact O-CD1 3.28Å; N978-I982 WeakPolarHBondContact O-CG1 3.46Å; N978-I982 PolarHBondContact O-N 3.46Å |
| 979 | Q | 56.8 | Low | 60.7 | Low | 76 Ų | 76 | 74.6 Ų | 74.6 | 36% | 0.355 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.4 | -39.5 | -177.9 | -160 | 173.7 | 7.2 | 0 | 0 | 112.8 | R671 N672 A975 Q976 I982 S983 | R671-Q979 PolarHBondContact O-NE2 3.4Å; N672-Q979 PolarHBondContact OD1-NE2 3.06Å; N672-Q979 VanDerWaalsContact OD1-NE2 3.14Å; A975-Q979 PolarHBondContact O-N 3.19Å; Q976-Q979 PolarHBondContact O-N 2.86Å; Q979-I982 PolarHBondContact O-N 3.03Å; Q979-S983 PolarHBondContact O-N 2.99Å; Q979-S983 PolarHBondContact O-OG 3.28Å |
| 980 | I | 59.6 | Low | 62.6 | Low | 17 Ų | 17 | 73.8 Ų | 73.8 | 9% | 0.087 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 174.9 | -70.2 | 172.8 | 0 | 0 | 0 | 111.1 | P895 H898 V967 Q976 S983 S984 | P895-I980 HydrophobicContact CB-CD1 4.42Å; H898-I980 WeakPolarHBondContact NE2-CG2 3.4Å; V967-I980 HydrophobicContact CB-CG2 4.22Å; V967-I980 HydrophobicContact CG1-CG2 4.24Å; V967-I980 HydrophobicContact CG2-CG2 4.27Å; Q976-I980 WeakPolarHBondContact O-CB 3.31Å; Q976-I980 VanDerWaalsContact O-CG1 3.27Å; Q976-I980 WeakPolarHBondContact O-CG1 3.33Å; Q976-I980 PolarHBondContact O-N 3.3Å; I980-S983 WeakPolarHBondContact CA-OG 3.3Å; I980-S983 PolarHBondContact O-OG 3.11Å; I980-S984 PolarHBondContact O-N 2.81Å; I980-S984 VanDerWaalsContact O-N 3.12Å; I980-S984 PolarHBondContact O-OG 3.42Å |
| 981 | N | 61.9 | Low | 64.4 | Low | 68 Ų | 68 | 68.7 Ų | 68.7 | 36% | 0.364 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.6 | -33.8 | 176.8 | -78.1 | -21 | 0 | 0 | 0 | 112.8 | K977 N978 S984 K985 | K977-N981 VanDerWaalsContact O-CB 3.27Å; K977-N981 WeakPolarHBondContact O-CB 3.43Å; K977-N981 VanDerWaalsContact O-CG 3.24Å; K977-N981 PolarHBondContact O-N 3Å; K977-N981 PolarHBondContact O-ND2 2.86Å; N978-N981 PolarHBondContact O-N 2.83Å; N981-S984 WeakPolarHBondContact CA-OG 3.16Å; N981-S984 PolarHBondContact O-OG 2.74Å; N981-S984 VanDerWaalsContact O-OG 3.13Å; N981-K985 WeakPolarHBondContact O-CB 3.48Å; N981-K985 VanDerWaalsContact O-CG 3.22Å; N981-K985 WeakPolarHBondContact O-CG 3.48Å; N981-K985 PolarHBondContact O-N 3.23Å; N981-K985 VanDerWaalsContact O-N 3.17Å |
| 982 | I | 63.6 | Low | 66.6 | Low | 111 Ų | 111 | 65.2 Ų | 65.2 | 57% | 0.569 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -68.4 | -48.3 | 177.2 | -69.5 | 160.7 | 0 | 0 | 0 | 110.3 | N978 Q979 K985 L986 | N978-I982 WeakPolarHBondContact O-CB 3.42Å; N978-I982 VanDerWaalsContact O-CD1 3.31Å; N978-I982 WeakPolarHBondContact O-CD1 3.28Å; N978-I982 WeakPolarHBondContact O-CG1 3.46Å; N978-I982 PolarHBondContact O-N 3.46Å; Q979-I982 PolarHBondContact O-N 3.03Å; I982-K985 PolarHBondContact O-N 3.28Å; I982-L986 WeakPolarHBondContact O-CB 3.43Å; I982-L986 PolarHBondContact O-N 3.37Å |
| 983 | S | 68.4 | Low | 68.6 | Low | 22 Ų | 22 | 69.6 Ų | 69.6 | 15% | 0.154 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.5 | -46.5 | 180 | 45 | 0 | 0 | 0 | 0 | 112.5 | H898 S902 Q979 I980 K985 L986 I987 | H898-S983 PolarHBondContact CE1-OG 3.42Å; S902-S983 WeakPolarHBondContact OG-CB 3.16Å; Q979-S983 PolarHBondContact O-N 2.99Å; Q979-S983 PolarHBondContact O-OG 3.28Å; I980-S983 WeakPolarHBondContact CA-OG 3.3Å; I980-S983 PolarHBondContact O-OG 3.11Å; S983-K985 PolarHBondContact O-N 2.92Å; S983-L986 PolarHBondContact O-N 3.49Å; S983-I987 WeakPolarHBondContact O-CB 2.8Å; S983-I987 WeakPolarHBondContact O-CD1 3.44Å; S983-I987 VanDerWaalsContact O-CG1 3.25Å; S983-I987 WeakPolarHBondContact O-CG1 3.17Å; S983-I987 PolarHBondContact O-N 3.28Å |
| 984 | S | 72 | Confident | 70.4 | Confident | 17 Ų | 17 | 66.9 Ų | 66.9 | 12% | 0.119 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.3 | -41 | 176.7 | 52.4 | 0 | 0 | 0 | 0 | 113.1 | I980 N981 Q988 | I980-S984 PolarHBondContact O-N 2.81Å; I980-S984 VanDerWaalsContact O-N 3.12Å; I980-S984 PolarHBondContact O-OG 3.42Å; N981-S984 WeakPolarHBondContact CA-OG 3.16Å; N981-S984 PolarHBondContact O-OG 2.74Å; N981-S984 VanDerWaalsContact O-OG 3.13Å; S984-Q988 VanDerWaalsContact O-CB 3.31Å; S984-Q988 WeakPolarHBondContact O-CB 3.28Å; S984-Q988 PolarHBondContact O-N 2.72Å |
| 985 | K | 76.3 | Confident | 72.1 | Confident | 153 Ų | 153 | 60.8 Ų | 60.8 | 67% | 0.665 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -65.3 | -41.7 | 175.2 | -76.6 | 178.2 | -178.8 | -175.3 | 0 | 112.7 | N981 I982 S983 Q988 S989 | N981-K985 WeakPolarHBondContact O-CB 3.48Å; N981-K985 VanDerWaalsContact O-CG 3.22Å; N981-K985 WeakPolarHBondContact O-CG 3.48Å; N981-K985 PolarHBondContact O-N 3.23Å; N981-K985 VanDerWaalsContact O-N 3.17Å; I982-K985 PolarHBondContact O-N 3.28Å; S983-K985 PolarHBondContact O-N 2.92Å; K985-Q988 WeakPolarHBondContact O-CB 3.16Å; K985-Q988 PolarHBondContact O-N 2.82Å; K985-S989 PolarHBondContact O-N 2.77Å; K985-S989 PolarHBondContact O-OG 2.8Å |
| 986 | L | 76.3 | Confident | 73.9 | Confident | 88 Ų | 88 | 60.3 Ų | 60.3 | 46% | 0.461 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 178.9 | -175.4 | 143.8 | 0 | 0 | 0 | 111.2 | I982 S983 Q988 S989 M990 | I982-L986 WeakPolarHBondContact O-CB 3.43Å; I982-L986 PolarHBondContact O-N 3.37Å; S983-L986 PolarHBondContact O-N 3.49Å; L986-Q988 VanDerWaalsContact C-N 3.33Å; L986-Q988 PolarHBondContact O-N 3.11Å; L986-S989 WeakPolarHBondContact CA-OG 3.41Å; L986-S989 PolarHBondContact O-N 3.08Å; L986-S989 PolarHBondContact O-OG 3.44Å; L986-M990 HydrophobicContact CD2-CG 4.38Å; L986-M990 HydrophobicContact CD2-SD 3.58Å; L986-M990 VanDerWaalsContact CD2-SD 3.58Å; L986-M990 VanDerWaalsContact O-CG 3.3Å; L986-M990 WeakPolarHBondContact O-CG 3.37Å; L986-M990 PolarHBondContact O-N 3.03Å |
| 987 | I | 78.3 | Confident | 75.6 | Confident | 5 Ų | 5 | 59.5 Ų | 59.5 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 174 | -67.8 | 163.4 | 0 | 0 | 0 | 110.2 | C905 T906 F909 V964 S983 S989 M990 I991 | C905-I987 HydrophobicContact CB-CD1 3.82Å; C905-I987 HydrophobicContact CB-CG1 4.37Å; C905-I987 HydrophobicContact CB-CG2 4.13Å; T906-I987 HydrophobicContact CG2-CD1 4.21Å; T906-I987 HydrophobicContact CG2-CG1 3.88Å; F909-I987 HydrophobicContact CD2-CG2 3.83Å; F909-I987 HydrophobicContact CE2-CG2 3.53Å; V964-I987 HydrophobicContact CG2-CG2 3.55Å; S983-I987 WeakPolarHBondContact O-CB 2.8Å; S983-I987 WeakPolarHBondContact O-CD1 3.44Å; S983-I987 VanDerWaalsContact O-CG1 3.25Å; S983-I987 WeakPolarHBondContact O-CG1 3.17Å; S983-I987 PolarHBondContact O-N 3.28Å; I987-S989 VanDerWaalsContact C-N 3.34Å; I987-S989 PolarHBondContact O-N 2.83Å; I987-M990 PolarHBondContact O-N 3.19Å; I987-I991 HydrophobicContact CG2-CD1 3.71Å; I987-I991 HydrophobicContact CG2-CG1 4.37Å; I987-I991 WeakPolarHBondContact O-CD1 3.35Å; I987-I991 VanDerWaalsContact O-CG1 3.23Å; I987-I991 WeakPolarHBondContact O-CG1 3.26Å; I987-I991 PolarHBondContact O-N 3.05Å |
| 988 | Q | 83.2 | Confident | 77.2 | Confident | 59 Ų | 59 | 56.2 Ų | 56.2 | 28% | 0.276 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 178.5 | -176.8 | 65.5 | 18.4 | 0 | 0 | 112.4 | S984 K985 L986 Q992 | S984-Q988 VanDerWaalsContact O-CB 3.31Å; S984-Q988 WeakPolarHBondContact O-CB 3.28Å; S984-Q988 PolarHBondContact O-N 2.72Å; K985-Q988 WeakPolarHBondContact O-CB 3.16Å; K985-Q988 PolarHBondContact O-N 2.82Å; L986-Q988 VanDerWaalsContact C-N 3.33Å; L986-Q988 PolarHBondContact O-N 3.11Å; Q988-Q992 WeakPolarHBondContact O-CG 3.2Å; Q988-Q992 PolarHBondContact O-N 3.44Å |
| 989 | S | 84.5 | Confident | 78.8 | Confident | 62 Ų | 62 | 54.9 Ų | 54.9 | 43% | 0.434 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.4 | -42.3 | 176.6 | 55.3 | 0 | 0 | 0 | 0 | 112.1 | K985 L986 I987 I991 Q992 E993 | K985-S989 PolarHBondContact O-N 2.77Å; K985-S989 PolarHBondContact O-OG 2.8Å; L986-S989 WeakPolarHBondContact CA-OG 3.41Å; L986-S989 PolarHBondContact O-N 3.08Å; L986-S989 PolarHBondContact O-OG 3.44Å; I987-S989 VanDerWaalsContact C-N 3.34Å; I987-S989 PolarHBondContact O-N 2.83Å; S989-I991 VanDerWaalsContact C-N 3.31Å; S989-I991 PolarHBondContact O-N 3.39Å; S989-Q992 PolarHBondContact O-N 2.76Å; S989-E993 WeakPolarHBondContact O-CB 3.26Å; S989-E993 PolarHBondContact O-N 3.44Å |
| 990 | M | 83.3 | Confident | 80.1 | Confident | 47 Ų | 47 | 55.5 Ų | 55.5 | 23% | 0.232 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.1 | -43.2 | 176 | -72.6 | 176 | 72.1 | 0 | 0 | 111.6 | F909 L986 I987 E993 L994 | F909-M990 HydrophobicContact CB-CE 4.45Å; L986-M990 HydrophobicContact CD2-CG 4.38Å; L986-M990 HydrophobicContact CD2-SD 3.58Å; L986-M990 VanDerWaalsContact CD2-SD 3.58Å; L986-M990 VanDerWaalsContact O-CG 3.3Å; L986-M990 WeakPolarHBondContact O-CG 3.37Å; L986-M990 PolarHBondContact O-N 3.03Å; I987-M990 PolarHBondContact O-N 3.19Å; M990-E993 PolarHBondContact O-N 3.18Å; M990-L994 WeakPolarHBondContact O-CG 3.37Å; M990-L994 PolarHBondContact O-N 3.36Å |
| 991 | I | 84.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 178.1 | -65.1 | 163.7 | 0 | 0 | 0 | 111 | F909 Q960 V964 I987 S989 E993 L994 I995 | F909-I991 HydrophobicContact CD1-CG1 3.99Å; F909-I991 HydrophobicContact CD2-CD1 4.2Å; F909-I991 HydrophobicContact CD2-CG1 3.96Å; F909-I991 HydrophobicContact CE1-CD1 4Å; F909-I991 HydrophobicContact CE1-CG1 3.68Å; F909-I991 HydrophobicContact CE2-CD1 3.45Å; F909-I991 VanDerWaalsContact CE2-CD1 3.45Å; F909-I991 HydrophobicContact CE2-CG1 3.66Å; F909-I991 HydrophobicContact CG-CG1 4.14Å; F909-I991 HydrophobicContact CZ-CD1 3.32Å; F909-I991 HydrophobicContact CZ-CG1 3.52Å; Q960-I991 HydrophobicContact CB-CD1 3.86Å; Q960-I991 HydrophobicContact CB-CG2 4.31Å; Q960-I991 HydrophobicContact CG-CD1 3.88Å; Q960-I991 HydrophobicContact CG-CG2 4.37Å; V964-I991 HydrophobicContact CG2-CD1 4.06Å; I987-I991 HydrophobicContact CG2-CD1 3.71Å; I987-I991 HydrophobicContact CG2-CG1 4.37Å; I987-I991 WeakPolarHBondContact O-CD1 3.35Å; I987-I991 VanDerWaalsContact O-CG1 3.23Å; I987-I991 WeakPolarHBondContact O-CG1 3.26Å; I987-I991 PolarHBondContact O-N 3.05Å; S989-I991 VanDerWaalsContact C-N 3.31Å; S989-I991 PolarHBondContact O-N 3.39Å; I991-E993 VanDerWaalsContact C-N 3.31Å; I991-E993 PolarHBondContact O-N 2.98Å; I991-L994 PolarHBondContact O-N 3.25Å; I991-I995 HydrophobicContact CG2-CD1 3.64Å; I991-I995 HydrophobicContact CG2-CG1 4.3Å; I991-I995 WeakPolarHBondContact O-CB 3.5Å; I991-I995 VanDerWaalsContact O-CG1 3.25Å; I991-I995 WeakPolarHBondContact O-CG1 3.19Å; I991-I995 PolarHBondContact O-N 2.91Å |
| 992 | Q | 87.8 | Confident | 82.3 | Confident | 113 Ų | 113 | 52.2 Ų | 52.2 | 53% | 0.528 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.4 | -39 | 179.4 | -76.7 | 176.6 | -19.5 | 0 | 0 | 112 | Q988 S989 I995 S996 | Q988-Q992 WeakPolarHBondContact O-CG 3.2Å; Q988-Q992 PolarHBondContact O-N 3.44Å; S989-Q992 PolarHBondContact O-N 2.76Å; Q992-I995 PolarHBondContact O-N 3.19Å; Q992-S996 PolarHBondContact O-N 3.4Å; Q992-S996 PolarHBondContact O-OG 2.8Å |
| 993 | E | 88.7 | Confident | 83.2 | Confident | 114 Ų | 114 | 50.4 Ų | 50.4 | 53% | 0.533 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64 | -45.2 | 174.2 | -175 | -175.8 | 167.8 | 0 | 0 | 112.1 | S989 M990 I991 I995 S996 R997 | S989-E993 WeakPolarHBondContact O-CB 3.26Å; S989-E993 PolarHBondContact O-N 3.44Å; M990-E993 PolarHBondContact O-N 3.18Å; I991-E993 VanDerWaalsContact C-N 3.31Å; I991-E993 PolarHBondContact O-N 2.98Å; E993-I995 VanDerWaalsContact C-N 3.34Å; E993-I995 PolarHBondContact O-N 2.72Å; E993-S996 PolarHBondContact O-N 3.24Å; E993-S996 PolarHBondContact O-OG 2.94Å; E993-R997 WeakPolarHBondContact O-CB 3.33Å; E993-R997 WeakPolarHBondContact O-CG 3.49Å; E993-R997 PolarHBondContact O-N 2.66Å |
| 994 | L | 86.9 | Confident | 83.8 | Confident | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 177.5 | -71.9 | 176.2 | 0 | 0 | 0 | 112.5 | V916 L956 M990 I991 R997 L998 | V916-L994 HydrophobicContact CB-CD2 4.42Å; L956-L994 HydrophobicContact CD1-CB 3.94Å; L956-L994 HydrophobicContact CD2-CD1 4.5Å; M990-L994 WeakPolarHBondContact O-CG 3.37Å; M990-L994 PolarHBondContact O-N 3.36Å; I991-L994 PolarHBondContact O-N 3.25Å; L994-R997 PolarHBondContact O-N 3.14Å; L994-L998 WeakPolarHBondContact O-CB 3.41Å; L994-L998 WeakPolarHBondContact O-CG 3.19Å; L994-L998 PolarHBondContact O-N 2.77Å |
| 995 | I | 88.3 | Confident | 84.3 | Confident | 11 Ų | 11 | 60.7 Ų | 60.7 | 6% | 0.056 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.1 | -47.3 | 176.5 | -70.3 | 171.6 | 0 | 0 | 0 | 110.2 | M953 L956 K957 I991 Q992 E993 R997 L998 E999 | M953-I995 HydrophobicContact CE-CG2 3.83Å; L956-I995 HydrophobicContact CB-CG1 4.48Å; L956-I995 HydrophobicContact CD1-CG1 4.25Å; K957-I995 HydrophobicContact CG-CD1 3.89Å; I991-I995 HydrophobicContact CG2-CD1 3.64Å; I991-I995 HydrophobicContact CG2-CG1 4.3Å; I991-I995 WeakPolarHBondContact O-CB 3.5Å; I991-I995 VanDerWaalsContact O-CG1 3.25Å; I991-I995 WeakPolarHBondContact O-CG1 3.19Å; I991-I995 PolarHBondContact O-N 2.91Å; Q992-I995 PolarHBondContact O-N 3.19Å; E993-I995 VanDerWaalsContact C-N 3.34Å; E993-I995 PolarHBondContact O-N 2.72Å; I995-R997 VanDerWaalsContact C-N 3.27Å; I995-R997 PolarHBondContact O-N 3.33Å; I995-L998 PolarHBondContact O-N 2.83Å; I995-L998 VanDerWaalsContact O-N 3.14Å; I995-E999 HydrophobicContact CG2-CG 4.49Å; I995-E999 WeakPolarHBondContact O-CG 3.49Å; I995-E999 PolarHBondContact O-N 3.29Å |
| 996 | S | 89.2 | Confident | 84.6 | Confident | 58 Ų | 58 | 55.1 Ų | 55.1 | 41% | 0.406 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.4 | -33.1 | -179.8 | 65.1 | 0 | 0 | 0 | 0 | 112.7 | Q992 E993 E999 | Q992-S996 PolarHBondContact O-N 3.4Å; Q992-S996 PolarHBondContact O-OG 2.8Å; E993-S996 PolarHBondContact O-N 3.24Å; E993-S996 PolarHBondContact O-OG 2.94Å; S996-E999 PolarHBondContact O-N 3.14Å |
| 997 | R | 89.8 | Confident | 85.1 | Confident | 56 Ų | 56 | 52.6 Ų | 52.6 | 21% | 0.211 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.3 | -41.4 | 172.9 | -69.9 | 171.2 | 58.7 | -168.2 | -5.9 | 112 | D917 L920 E993 L994 I995 E999 T1000 | D917-R997 IonicContact OD1-CZ 2.84Å; D917-R997 IonicContact OD1-NH1 2.84Å; D917-R997 PolarHBondContact OD1-NH1 3.47Å; D917-R997 IonicContact OD1-NH2 2.93Å; D917-R997 PolarHBondContact OD1-NH2 3.46Å; L920-R997 HydrophobicContact CD1-CB 4.34Å; L920-R997 VanDerWaalsContact CD1-NH2 3.35Å; E993-R997 WeakPolarHBondContact O-CB 3.33Å; E993-R997 WeakPolarHBondContact O-CG 3.49Å; E993-R997 PolarHBondContact O-N 2.66Å; L994-R997 PolarHBondContact O-N 3.14Å; I995-R997 VanDerWaalsContact C-N 3.27Å; I995-R997 PolarHBondContact O-N 3.33Å; R997-E999 VanDerWaalsContact C-N 3.34Å; R997-T1000 WeakPolarHBondContact O-CB 3.49Å; R997-T1000 PolarHBondContact O-N 2.82Å; R997-T1000 PolarHBondContact O-OG1 3.13Å |
| 998 | L | 86.7 | Confident | 85.3 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69.3 | -30.1 | 176.6 | -76.2 | 169.4 | 0 | 0 | 0 | 113 | V916 A949 I952 M953 L956 L994 I995 T1000 L1001 | V916-L998 HydrophobicContact CG1-CD2 4.02Å; V916-L998 HydrophobicContact CG1-CG 4.1Å; V916-L998 HydrophobicContact CG2-CD1 4Å; V916-L998 HydrophobicContact CG2-CD2 3.88Å; V916-L998 HydrophobicContact CG2-CG 4.03Å; A949-L998 HydrophobicContact CB-CD2 4.03Å; I952-L998 HydrophobicContact CB-CD1 4Å; I952-L998 HydrophobicContact CG2-CD1 3.49Å; I952-L998 VanDerWaalsContact CG2-CD1 3.49Å; M953-L998 HydrophobicContact CG-CB 3.72Å; M953-L998 HydrophobicContact CG-CD1 3.77Å; M953-L998 HydrophobicContact CG-CG 4.38Å; M953-L998 HydrophobicContact SD-CB 4.02Å; L956-L998 HydrophobicContact CD1-CD1 3.87Å; L994-L998 WeakPolarHBondContact O-CB 3.41Å; L994-L998 WeakPolarHBondContact O-CG 3.19Å; L994-L998 PolarHBondContact O-N 2.77Å; I995-L998 PolarHBondContact O-N 2.83Å; I995-L998 VanDerWaalsContact O-N 3.14Å; L998-T1000 PolarHBondContact O-N 3.35Å; L998-L1001 HydrophobicContact CD2-CD1 4.14Å; L998-L1001 WeakPolarHBondContact O-CB 3.25Å; L998-L1001 PolarHBondContact O-N 2.83Å |
| 999 | E | 87.9 | Confident | 85.3 | Confident | 70 Ų | 70 | 57.1 Ų | 57.1 | 33% | 0.327 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.5 | -27.4 | 173.7 | -74.6 | 171.7 | -179.2 | 0 | 0 | 111.9 | M953 I995 S996 R997 L1001 V1002 W1007 | M953-E999 HydrophobicContact CE-CG 3.49Å; M953-E999 VanDerWaalsContact CE-CG 3.49Å; I995-E999 HydrophobicContact CG2-CG 4.49Å; I995-E999 WeakPolarHBondContact O-CG 3.49Å; I995-E999 PolarHBondContact O-N 3.29Å; S996-E999 PolarHBondContact O-N 3.14Å; R997-E999 VanDerWaalsContact C-N 3.34Å; E999-L1001 PolarHBondContact O-N 3.24Å; E999-V1002 PolarHBondContact O-N 3.48Å; E999-W1007 HydrophobicContact CG-CD2 4.35Å; E999-W1007 HydrophobicContact CG-CZ2 3.97Å; E999-W1007 VanDerWaalsContact OE1-CZ2 3.23Å; E999-W1007 WeakPolarHBondContact OE1-CZ2 3.46Å; E999-W1007 PolarHBondContact OE1-NE1 2.73Å |
| 1000 | T | 84.9 | Confident | 85.3 | Confident | 90 Ų | 90 | 54.1 Ų | 54.1 | 55% | 0.552 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -16.6 | 176.5 | 71.7 | 0 | 0 | 0 | 0 | 114.2 | R997 L998 | R997-T1000 WeakPolarHBondContact O-CB 3.49Å; R997-T1000 PolarHBondContact O-N 2.82Å; R997-T1000 PolarHBondContact O-OG1 3.13Å; L998-T1000 PolarHBondContact O-N 3.35Å |
| 1001 | L | 81.9 | Confident | 85.4 | Confident | 10 Ų | 10 | 53 Ų | 53 | 5% | 0.052 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -8 | 176.3 | -68 | 176.7 | 0 | 0 | 0 | 113.2 | L920 Q923 M945 A949 L998 E999 | L920-L1001 HydrophobicContact CD2-CD1 3.86Å; L920-L1001 HydrophobicContact CD2-CD2 3.81Å; L920-L1001 HydrophobicContact CD2-CG 3.7Å; L920-L1001 HydrophobicContact CG-CD1 4.36Å; Q923-L1001 HydrophobicContact CB-CD2 4.35Å; Q923-L1001 VanDerWaalsContact CD-CD2 3.46Å; Q923-L1001 HydrophobicContact CG-CD2 4.23Å; M945-L1001 HydrophobicContact CE-CD2 3.84Å; A949-L1001 HydrophobicContact CB-CB 3.93Å; A949-L1001 HydrophobicContact CB-CD1 4.2Å; L998-L1001 HydrophobicContact CD2-CD1 4.14Å; L998-L1001 WeakPolarHBondContact O-CB 3.25Å; L998-L1001 PolarHBondContact O-N 2.83Å; E999-L1001 PolarHBondContact O-N 3.24Å |
| 1002 | V | 84.6 | Confident | 85.4 | Confident | 6 Ų | 6 | 56.7 Ų | 56.7 | 4% | 0.036 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -108.3 | 135 | -177.5 | -175.5 | 0 | 0 | 0 | 0 | 108.6 | Q946 A949 L950 M953 E999 D1006 W1007 | Q946-V1002 HydrophobicContact CG-CB 4.4Å; Q946-V1002 HydrophobicContact CG-CG1 4.05Å; Q946-V1002 HydrophobicContact CG-CG2 4.29Å; A949-V1002 HydrophobicContact CB-CG2 4.16Å; L950-V1002 HydrophobicContact CD2-CG1 4.33Å; L950-V1002 HydrophobicContact CD2-CG2 4.13Å; L950-V1002 HydrophobicContact CG-CG2 4.25Å; M953-V1002 HydrophobicContact SD-CG2 4.35Å; E999-V1002 PolarHBondContact O-N 3.48Å; V1002-D1006 HydrophobicContact CG1-CB 4.45Å; V1002-W1007 HydrophobicContact CB-CB 4.47Å; V1002-W1007 HydrophobicContact CG1-CB 3.87Å; V1002-W1007 HydrophobicContact CG1-CE3 4.44Å |
| 1003 | D | 83.4 | Confident | 85.3 | Confident | 72 Ų | 72 | 54 Ų | 54 | 39% | 0.385 | 29% | 0.289 | S | S | . | . | trans | -55.3 | 129.6 | 173.2 | -174.2 | -47.8 | 0 | 0 | 0 | 109.9 | F1005 D1006 W1007 | D1003-F1005 PolarHBondContact O-N 2.97Å; D1003-F1005 WeakPolarHBondContact OD1-CB 3.46Å; D1003-F1005 PolarHBondContact OD1-N 3.31Å; D1003-D1006 HydrophobicContact CB-CB 4.1Å; D1003-D1006 PolarHBondContact O-N 3.43Å; D1003-D1006 VanDerWaalsContact O-N 3.11Å; D1003-W1007 WeakPolarHBondContact O-CB 3.41Å; D1003-W1007 PolarHBondContact O-N 3.07Å | ||
| 1004 | P | 81.9 | Confident | 85.2 | Confident | 90 Ų | 90 | 48.6 Ų | 48.6 | 58% | 0.584 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -53.2 | -35.7 | 179.4 | -27.4 | 34.5 | 0 | 0 | 0 | 114.8 | N1008 | P1004-N1008 PolarHBondContact O-N 3Å; P1004-N1008 VanDerWaalsContact O-N 3.16Å; P1004-N1008 PolarHBondContact O-ND2 2.84Å |
| 1005 | F | 82.1 | Confident | 85.2 | Confident | 166 Ų | 166 | 52.6 Ų | 52.6 | 73% | 0.728 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -69.7 | -46.3 | 177.1 | -71 | -79.2 | 0 | 0 | 0 | 111 | D1003 W1007 N1008 V1009 | D1003-F1005 PolarHBondContact O-N 2.97Å; D1003-F1005 WeakPolarHBondContact OD1-CB 3.46Å; D1003-F1005 PolarHBondContact OD1-N 3.31Å; F1005-W1007 VanDerWaalsContact C-N 3.31Å; F1005-W1007 PolarHBondContact O-N 3.16Å; F1005-N1008 PolarHBondContact O-N 2.6Å; F1005-V1009 WeakPolarHBondContact O-CG2 3.26Å; F1005-V1009 PolarHBondContact O-N 2.93Å |
| 1006 | D | 83.2 | Confident | 85.1 | Confident | 36 Ų | 36 | 57.2 Ų | 57.2 | 19% | 0.193 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.2 | -39.2 | 175.9 | -74.4 | -15.4 | 0 | 0 | 0 | 111.2 | V862 Q946 V1002 D1003 V1009 C1010 | V862-D1006 HydrophobicContact CG1-CB 4.49Å; V862-D1006 WeakPolarHBondContact CG2-OD1 2.99Å; Q946-D1006 PolarHBondContact NE2-OD2 3.08Å; V1002-D1006 HydrophobicContact CG1-CB 4.45Å; D1003-D1006 HydrophobicContact CB-CB 4.1Å; D1003-D1006 PolarHBondContact O-N 3.43Å; D1003-D1006 VanDerWaalsContact O-N 3.11Å; D1006-V1009 PolarHBondContact O-N 3.07Å; D1006-C1010 VanDerWaalsContact O-CB 3.27Å; D1006-C1010 WeakPolarHBondContact O-CB 3.46Å; D1006-C1010 PolarHBondContact O-N 2.92Å; D1006-C1010 PolarHBondContact O-SG 3.46Å |
| 1007 | W | 84.9 | Confident | 85.1 | Confident | 34 Ų | 34 | 54.7 Ų | 54.7 | 13% | 0.129 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 179.1 | 179.8 | -125.3 | 0 | 0 | 0 | 112.2 | L950 M953 E999 V1002 D1003 F1005 V1009 C1010 A1011 L1014 | L950-W1007 HydrophobicContact CD2-CE3 4.1Å; L950-W1007 HydrophobicContact CD2-CZ3 4.02Å; M953-W1007 HydrophobicContact CE-CE3 4.07Å; M953-W1007 HydrophobicContact CE-CH2 3.11Å; M953-W1007 HydrophobicContact CE-CZ2 3.59Å; M953-W1007 HydrophobicContact CE-CZ3 3.37Å; M953-W1007 HydrophobicContact SD-CH2 4.22Å; M953-W1007 HydrophobicContact SD-CZ3 3.91Å; E999-W1007 HydrophobicContact CG-CD2 4.35Å; E999-W1007 HydrophobicContact CG-CZ2 3.97Å; E999-W1007 VanDerWaalsContact OE1-CZ2 3.23Å; E999-W1007 WeakPolarHBondContact OE1-CZ2 3.46Å; E999-W1007 PolarHBondContact OE1-NE1 2.73Å; V1002-W1007 HydrophobicContact CB-CB 4.47Å; V1002-W1007 HydrophobicContact CG1-CB 3.87Å; V1002-W1007 HydrophobicContact CG1-CE3 4.44Å; D1003-W1007 WeakPolarHBondContact O-CB 3.41Å; D1003-W1007 PolarHBondContact O-N 3.07Å; F1005-W1007 VanDerWaalsContact C-N 3.31Å; F1005-W1007 PolarHBondContact O-N 3.16Å; W1007-V1009 PolarHBondContact O-N 3.39Å; W1007-C1010 HydrophobicContact CE3-CB 4.37Å; W1007-C1010 PolarHBondContact O-N 2.95Å; W1007-C1010 VanDerWaalsContact O-N 3.08Å; W1007-A1011 HydrophobicContact CD2-CB 4.25Å; W1007-A1011 HydrophobicContact CE3-CB 4.47Å; W1007-A1011 HydrophobicContact CH2-CB 4.09Å; W1007-A1011 HydrophobicContact CZ2-CB 3.89Å; W1007-A1011 HydrophobicContact CZ3-CB 4.4Å; W1007-A1011 WeakPolarHBondContact O-CB 3.27Å; W1007-A1011 PolarHBondContact O-N 3.02Å; W1007-L1014 HydrophobicContact CZ3-CD1 4.48Å |
| 1008 | N | 83.7 | Confident | 85 | Confident | 123 Ų | 123 | 52.3 Ų | 52.3 | 66% | 0.658 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -58.1 | -37 | 177 | -78.1 | -28.5 | 0 | 0 | 0 | 112.2 | P1004 F1005 | P1004-N1008 PolarHBondContact O-N 3Å; P1004-N1008 VanDerWaalsContact O-N 3.16Å; P1004-N1008 PolarHBondContact O-ND2 2.84Å; F1005-N1008 PolarHBondContact O-N 2.6Å |
| 1009 | V | 83.2 | Confident | 84.9 | Confident | 36 Ų | 36 | 53.8 Ų | 53.8 | 22% | 0.218 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -72.7 | -42.8 | 175.1 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | V842 L844 F1005 D1006 W1007 K1013 | V842-V1009 HydrophobicContact CG1-CG1 4.3Å; L844-V1009 HydrophobicContact CD1-CG1 4.32Å; L844-V1009 HydrophobicContact CD1-CG2 4.14Å; L844-V1009 HydrophobicContact CD2-CG1 3.79Å; L844-V1009 HydrophobicContact CD2-CG2 4.01Å; L844-V1009 HydrophobicContact CG-CG1 4.43Å; F1005-V1009 WeakPolarHBondContact O-CG2 3.26Å; F1005-V1009 PolarHBondContact O-N 2.93Å; D1006-V1009 PolarHBondContact O-N 3.07Å; W1007-V1009 PolarHBondContact O-N 3.39Å; V1009-K1013 WeakPolarHBondContact O-CD 3.08Å |
| 1010 | C | 84 | Confident | 84.7 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -75.3 | -36.5 | -173 | -71.1 | 0 | 0 | 0 | 0 | 113.5 | V862 I864 L950 D1006 W1007 S1012 K1013 L1014 | V862-C1010 WeakPolarHBondContact CG1-SG 3.33Å; I864-C1010 HydrophobicContact CD1-CB 4.18Å; I864-C1010 HydrophobicContact CG1-CB 4.44Å; L950-C1010 HydrophobicContact CD2-CB 4.32Å; D1006-C1010 VanDerWaalsContact O-CB 3.27Å; D1006-C1010 WeakPolarHBondContact O-CB 3.46Å; D1006-C1010 PolarHBondContact O-N 2.92Å; D1006-C1010 PolarHBondContact O-SG 3.46Å; W1007-C1010 HydrophobicContact CE3-CB 4.37Å; W1007-C1010 PolarHBondContact O-N 2.95Å; W1007-C1010 VanDerWaalsContact O-N 3.08Å; C1010-S1012 PolarHBondContact O-N 3.5Å; C1010-K1013 PolarHBondContact O-N 3.46Å; C1010-K1013 VanDerWaalsContact O-N 3.11Å; C1010-L1014 VanDerWaalsContact O-CB 3.26Å; C1010-L1014 WeakPolarHBondContact O-CB 3.13Å; C1010-L1014 PolarHBondContact O-N 3.05Å |
| 1011 | A | 85.3 | Confident | 84.7 | Confident | 23 Ų | 23 | 49.3 Ų | 49.3 | 19% | 0.19 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.4 | -48.8 | -167.8 | 0 | 0 | 0 | 0 | 0 | 113 | W1007 K1013 I1015 | W1007-A1011 HydrophobicContact CD2-CB 4.25Å; W1007-A1011 HydrophobicContact CE3-CB 4.47Å; W1007-A1011 HydrophobicContact CH2-CB 4.09Å; W1007-A1011 HydrophobicContact CZ2-CB 3.89Å; W1007-A1011 HydrophobicContact CZ3-CB 4.4Å; W1007-A1011 WeakPolarHBondContact O-CB 3.27Å; W1007-A1011 PolarHBondContact O-N 3.02Å; A1011-K1013 PolarHBondContact O-N 3.01Å; A1011-I1015 WeakPolarHBondContact O-CD1 3.41Å; A1011-I1015 VanDerWaalsContact O-CG1 3.28Å; A1011-I1015 WeakPolarHBondContact O-CG1 3.5Å; A1011-I1015 PolarHBondContact O-N 3.44Å; A1011-I1015 VanDerWaalsContact O-N 3.11Å |
| 1012 | S | 85.1 | Confident | 84.8 | Confident | 78 Ų | 78 | 48.9 Ų | 48.9 | 55% | 0.545 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 179.1 | 61.2 | 0 | 0 | 0 | 0 | 112.4 | C1010 R1016 | C1010-S1012 PolarHBondContact O-N 3.5Å; S1012-R1016 PolarHBondContact O-N 2.88Å; S1012-R1016 VanDerWaalsContact O-N 3.08Å |
| 1013 | K | 85.6 | Confident | 84.7 | Confident | 57 Ų | 57 | 49.3 Ų | 49.3 | 25% | 0.248 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -73.9 | -38.3 | -178.2 | -67.6 | 165.2 | -168.1 | 169.7 | 0 | 111.6 | V842 I864 V1009 C1010 A1011 R1016 N1017 | V842-K1013 HydrophobicContact CG1-CD 4.36Å; V842-K1013 VanDerWaalsContact CG1-NZ 3.26Å; V842-K1013 HydrophobicContact CG2-CD 3.92Å; I864-K1013 HydrophobicContact CD1-CB 3.52Å; I864-K1013 HydrophobicContact CD1-CD 3.7Å; I864-K1013 HydrophobicContact CD1-CG 4.23Å; V1009-K1013 WeakPolarHBondContact O-CD 3.08Å; C1010-K1013 PolarHBondContact O-N 3.46Å; C1010-K1013 VanDerWaalsContact O-N 3.11Å; A1011-K1013 PolarHBondContact O-N 3.01Å; K1013-R1016 WeakPolarHBondContact O-CB 3.46Å; K1013-R1016 PolarHBondContact O-N 3.33Å; K1013-N1017 WeakPolarHBondContact O-CB 3.45Å; K1013-N1017 PolarHBondContact O-N 2.91Å; K1013-N1017 PolarHBondContact O-OD1 3.34Å |
| 1014 | L | 86.9 | Confident | 84.7 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.8 | -45 | 174.7 | -171.1 | 149.3 | 0 | 0 | 0 | 110.4 | I864 P865 L950 M953 F954 K957 W1007 C1010 R1016 N1017 V1018 | I864-L1014 HydrophobicContact CG2-CB 4.13Å; P865-L1014 HydrophobicContact CG-CD1 4.23Å; L950-L1014 HydrophobicContact CD2-CD1 4.13Å; M953-L1014 HydrophobicContact CB-CD1 4.5Å; F954-L1014 HydrophobicContact CB-CD1 4.49Å; F954-L1014 HydrophobicContact CD2-CG 4.37Å; K957-L1014 HydrophobicContact CD-CD2 3.59Å; W1007-L1014 HydrophobicContact CZ3-CD1 4.48Å; C1010-L1014 VanDerWaalsContact O-CB 3.26Å; C1010-L1014 WeakPolarHBondContact O-CB 3.13Å; C1010-L1014 PolarHBondContact O-N 3.05Å; L1014-R1016 VanDerWaalsContact C-N 3.34Å; L1014-R1016 PolarHBondContact O-N 3.39Å; L1014-N1017 PolarHBondContact O-N 2.95Å; L1014-V1018 HydrophobicContact CD2-CG2 4.12Å; L1014-V1018 VanDerWaalsContact O-CG2 3.31Å; L1014-V1018 WeakPolarHBondContact O-CG2 3.4Å; L1014-V1018 PolarHBondContact O-N 2.99Å |
| 1015 | I | 87 | Confident | 84.7 | Confident | 88 Ų | 88 | 46.3 Ų | 46.3 | 45% | 0.451 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.2 | -42.5 | 174.8 | -67.9 | 165 | 0 | 0 | 0 | 111.6 | K957 A1011 N1017 V1018 T1019 | K957-I1015 HydrophobicContact CD-CG1 4.43Å; A1011-I1015 WeakPolarHBondContact O-CD1 3.41Å; A1011-I1015 VanDerWaalsContact O-CG1 3.28Å; A1011-I1015 WeakPolarHBondContact O-CG1 3.5Å; A1011-I1015 PolarHBondContact O-N 3.44Å; A1011-I1015 VanDerWaalsContact O-N 3.11Å; I1015-N1017 VanDerWaalsContact C-N 3.35Å; I1015-V1018 PolarHBondContact O-N 3.24Å; I1015-T1019 WeakPolarHBondContact O-CB 3.5Å; I1015-T1019 PolarHBondContact O-N 3.48Å; I1015-T1019 PolarHBondContact O-OG1 2.85Å |
| 1016 | R | 86.6 | Confident | 84.6 | Confident | 109 Ų | 109 | 39.5 Ų | 39.5 | 41% | 0.411 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.5 | -44.8 | 174.5 | -178.7 | -165.9 | 63.6 | 123.7 | 3.5 | 111.1 | E840 S1012 K1013 L1014 T1019 N1020 | E840-R1016 IonicContact OE1-CZ 3.21Å; E840-R1016 IonicContact OE1-NH1 2.6Å; E840-R1016 IonicContact OE1-NH2 3.31Å; E840-R1016 PolarHBondContact OE1-NH2 2.72Å; E840-R1016 IonicContact OE2-CZ 3.19Å; E840-R1016 IonicContact OE2-NH2 3Å; E840-R1016 PolarHBondContact OE2-NH2 3.29Å; S1012-R1016 PolarHBondContact O-N 2.88Å; S1012-R1016 VanDerWaalsContact O-N 3.08Å; K1013-R1016 WeakPolarHBondContact O-CB 3.46Å; K1013-R1016 PolarHBondContact O-N 3.33Å; L1014-R1016 VanDerWaalsContact C-N 3.34Å; L1014-R1016 PolarHBondContact O-N 3.39Å; R1016-T1019 PolarHBondContact O-N 3.11Å; R1016-N1020 WeakPolarHBondContact O-CB 3.3Å; R1016-N1020 PolarHBondContact O-N 2.73Å; R1016-N1020 PolarHBondContact O-ND2 3.47Å |
| 1017 | N | 88 | Confident | 84.5 | Confident | 5 Ų | 5 | 42.9 Ų | 42.9 | 3% | 0.027 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.8 | -42.5 | 179.8 | -70.7 | 2.1 | 0 | 0 | 0 | 111.6 | E840 P865 F954 K1013 L1014 I1015 T1019 N1020 T1021 | E840-N1017 PolarHBondContact OE2-ND2 3.25Å; E840-N1017 PolarHBondContact OE2-OD1 2.9Å; E840-N1017 VanDerWaalsContact OE2-OD1 3.11Å; P865-N1017 PolarHBondContact O-ND2 2.96Å; F954-N1017 HydrophobicContact CE2-CB 3.87Å; K1013-N1017 WeakPolarHBondContact O-CB 3.45Å; K1013-N1017 PolarHBondContact O-N 2.91Å; K1013-N1017 PolarHBondContact O-OD1 3.34Å; L1014-N1017 PolarHBondContact O-N 2.95Å; I1015-N1017 VanDerWaalsContact C-N 3.35Å; N1017-T1019 VanDerWaalsContact C-N 3.34Å; N1017-T1019 PolarHBondContact O-N 2.82Å; N1017-N1020 PolarHBondContact O-N 3.42Å; N1017-T1021 WeakPolarHBondContact O-CB 3.11Å; N1017-T1021 PolarHBondContact O-N 2.84Å; N1017-T1021 PolarHBondContact O-OG1 3.21Å |
| 1018 | V | 87.6 | Confident | 84.4 | Confident | 6 Ų | 6 | 44.5 Ų | 44.5 | 4% | 0.036 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.5 | -48.3 | 172.5 | 170.1 | 0 | 0 | 0 | 0 | 110.3 | F954 K957 F958 L1014 I1015 N1020 T1021 I1022 | F954-V1018 HydrophobicContact CD2-CG2 3.54Å; F954-V1018 HydrophobicContact CE2-CB 4.36Å; F954-V1018 HydrophobicContact CE2-CG2 3.61Å; F954-V1018 HydrophobicContact CG-CG2 4.02Å; F954-V1018 HydrophobicContact CZ-CG2 4.12Å; K957-V1018 HydrophobicContact CB-CG1 4.39Å; K957-V1018 HydrophobicContact CB-CG2 4.08Å; F958-V1018 HydrophobicContact CB-CG1 4.27Å; L1014-V1018 HydrophobicContact CD2-CG2 4.12Å; L1014-V1018 VanDerWaalsContact O-CG2 3.31Å; L1014-V1018 WeakPolarHBondContact O-CG2 3.4Å; L1014-V1018 PolarHBondContact O-N 2.99Å; I1015-V1018 PolarHBondContact O-N 3.24Å; V1018-N1020 VanDerWaalsContact C-N 3.34Å; V1018-N1020 PolarHBondContact O-N 2.79Å; V1018-T1021 PolarHBondContact O-N 2.83Å; V1018-I1022 HydrophobicContact CG1-CD1 3.74Å; V1018-I1022 HydrophobicContact CG1-CG1 4.44Å; V1018-I1022 VanDerWaalsContact O-CG1 3.31Å; V1018-I1022 WeakPolarHBondContact O-CG1 3.35Å; V1018-I1022 PolarHBondContact O-N 2.79Å |
| 1019 | T | 84.4 | Confident | 84.4 | Confident | 31 Ų | 31 | 38.6 Ų | 38.6 | 19% | 0.19 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.7 | -41.5 | 178.9 | -55.4 | 0 | 0 | 0 | 0 | 112 | I1015 R1016 N1017 T1023 L1044 | I1015-T1019 WeakPolarHBondContact O-CB 3.5Å; I1015-T1019 PolarHBondContact O-N 3.48Å; I1015-T1019 PolarHBondContact O-OG1 2.85Å; R1016-T1019 PolarHBondContact O-N 3.11Å; N1017-T1019 VanDerWaalsContact C-N 3.34Å; N1017-T1019 PolarHBondContact O-N 2.82Å; T1019-T1023 WeakPolarHBondContact O-CB 3.12Å; T1019-T1023 WeakPolarHBondContact O-CG2 2.99Å; T1019-T1023 PolarHBondContact O-N 3.45Å; T1019-T1023 PolarHBondContact O-OG1 3.31Å; T1019-L1044 HydrophobicContact CG2-CB 4.5Å; T1019-L1044 HydrophobicContact CG2-CD1 4.26Å; T1019-L1044 HydrophobicContact CG2-CD2 3.93Å; T1019-L1044 HydrophobicContact CG2-CG 4.47Å |
| 1020 | N | 85.3 | Confident | 84.2 | Confident | 55 Ų | 55 | 39 Ų | 39 | 29% | 0.294 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.8 | -41.7 | 175.8 | -73.3 | -19.7 | 0 | 0 | 0 | 112.1 | R1016 N1017 V1018 T1023 S1024 K1048 | R1016-N1020 WeakPolarHBondContact O-CB 3.3Å; R1016-N1020 PolarHBondContact O-N 2.73Å; R1016-N1020 PolarHBondContact O-ND2 3.47Å; N1017-N1020 PolarHBondContact O-N 3.42Å; V1018-N1020 VanDerWaalsContact C-N 3.34Å; V1018-N1020 PolarHBondContact O-N 2.79Å; N1020-T1023 WeakPolarHBondContact CA-OG1 3.2Å; N1020-T1023 PolarHBondContact O-OG1 3.03Å; N1020-T1023 VanDerWaalsContact O-OG1 3.08Å; N1020-S1024 WeakPolarHBondContact O-CB 3.41Å; N1020-S1024 PolarHBondContact O-N 2.76Å; N1020-S1024 PolarHBondContact O-OG 2.98Å; N1020-K1048 WeakPolarHBondContact OD1-CE 3.49Å; N1020-K1048 PolarHBondContact OD1-NZ 2.79Å |
| 1021 | T | 84.8 | Confident | 83.8 | Confident | 11 Ų | 11 | 42.5 Ų | 42.5 | 7% | 0.067 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.9 | -42.9 | -179.6 | -51.4 | 0 | 0 | 0 | 0 | 110.7 | S866 F954 F958 N1017 V1018 S1024 T1025 | S866-T1021 PolarHBondContact O-OG1 3.14Å; F954-T1021 HydrophobicContact CZ-CG2 4.18Å; F954-T1021 WeakPolarHBondContact CZ-OG1 3.44Å; F958-T1021 HydrophobicContact CD2-CG2 4.25Å; F958-T1021 HydrophobicContact CE2-CG2 3.95Å; N1017-T1021 WeakPolarHBondContact O-CB 3.11Å; N1017-T1021 PolarHBondContact O-N 2.84Å; N1017-T1021 PolarHBondContact O-OG1 3.21Å; V1018-T1021 PolarHBondContact O-N 2.83Å; T1021-S1024 WeakPolarHBondContact CA-OG 3.5Å; T1021-S1024 PolarHBondContact O-N 2.62Å; T1021-S1024 PolarHBondContact O-OG 3.27Å; T1021-T1025 HydrophobicContact CG2-CG2 4.29Å; T1021-T1025 WeakPolarHBondContact O-CB 3.38Å; T1021-T1025 WeakPolarHBondContact O-CG2 3.27Å; T1021-T1025 PolarHBondContact O-N 3.32Å; T1021-T1025 PolarHBondContact O-OG1 3.38Å |
| 1022 | I | 84 | Confident | 83.4 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61 | -52.2 | 174.8 | -67.1 | 167.2 | 0 | 0 | 0 | 110.2 | F958 R961 V1018 S1024 T1025 Y1026 V1041 | F958-I1022 HydrophobicContact CD2-CD1 4.2Å; F958-I1022 HydrophobicContact CD2-CG1 3.45Å; F958-I1022 VanDerWaalsContact CD2-CG1 3.45Å; F958-I1022 HydrophobicContact CE2-CB 4.17Å; F958-I1022 HydrophobicContact CE2-CD1 4.42Å; F958-I1022 HydrophobicContact CE2-CG1 3.27Å; F958-I1022 HydrophobicContact CG-CG1 4.28Å; F958-I1022 HydrophobicContact CZ-CG1 3.96Å; R961-I1022 HydrophobicContact CB-CD1 3.48Å; R961-I1022 VanDerWaalsContact CB-CD1 3.48Å; R961-I1022 HydrophobicContact CG-CD1 3.46Å; R961-I1022 VanDerWaalsContact CG-CD1 3.46Å; V1018-I1022 HydrophobicContact CG1-CD1 3.74Å; V1018-I1022 HydrophobicContact CG1-CG1 4.44Å; V1018-I1022 VanDerWaalsContact O-CG1 3.31Å; V1018-I1022 WeakPolarHBondContact O-CG1 3.35Å; V1018-I1022 PolarHBondContact O-N 2.79Å; I1022-S1024 PolarHBondContact O-N 2.67Å; I1022-S1024 VanDerWaalsContact O-N 3.16Å; I1022-T1025 PolarHBondContact O-N 2.93Å; I1022-Y1026 VanDerWaalsContact O-CB 3.26Å; I1022-Y1026 WeakPolarHBondContact O-CB 3.44Å; I1022-Y1026 PolarHBondContact O-N 3.23Å; I1022-V1041 HydrophobicContact CG2-CG1 4.36Å; I1022-V1041 HydrophobicContact CG2-CG2 3.79Å |
| 1023 | T | 81.8 | Confident | 82.7 | Confident | 16 Ų | 16 | 39.1 Ų | 39.1 | 10% | 0.098 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63 | -24.5 | -178.1 | 50.3 | 0 | 0 | 0 | 0 | 113.8 | T1019 N1020 Y1026 L1044 K1048 | T1019-T1023 WeakPolarHBondContact O-CB 3.12Å; T1019-T1023 WeakPolarHBondContact O-CG2 2.99Å; T1019-T1023 PolarHBondContact O-N 3.45Å; T1019-T1023 PolarHBondContact O-OG1 3.31Å; N1020-T1023 WeakPolarHBondContact CA-OG1 3.2Å; N1020-T1023 PolarHBondContact O-OG1 3.03Å; N1020-T1023 VanDerWaalsContact O-OG1 3.08Å; T1023-Y1026 WeakPolarHBondContact O-CD1 3.48Å; T1023-L1044 HydrophobicContact CG2-CB 4.02Å; T1023-K1048 PolarHBondContact OG1-NZ 3.5Å |
| 1024 | S | 82.4 | Confident | 81.7 | Confident | 70 Ų | 70 | 37.3 Ų | 37.3 | 49% | 0.49 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -88.8 | -33.7 | 175.5 | 53.9 | 0 | 0 | 0 | 0 | 113.4 | N1020 T1021 I1022 H1027 | N1020-S1024 WeakPolarHBondContact O-CB 3.41Å; N1020-S1024 PolarHBondContact O-N 2.76Å; N1020-S1024 PolarHBondContact O-OG 2.98Å; T1021-S1024 WeakPolarHBondContact CA-OG 3.5Å; T1021-S1024 PolarHBondContact O-N 2.62Å; T1021-S1024 PolarHBondContact O-OG 3.27Å; I1022-S1024 PolarHBondContact O-N 2.67Å; I1022-S1024 VanDerWaalsContact O-N 3.16Å; S1024-H1027 PolarHBondContact O-CE1 3.43Å; S1024-H1027 PolarHBondContact O-ND1 3.31Å; S1024-H1027 VanDerWaalsContact O-ND1 3.07Å |
| 1025 | T | 83.4 | Confident | 80.4 | Confident | 28 Ų | 28 | 42.7 Ų | 42.7 | 17% | 0.172 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -107.2 | -9.4 | -171.4 | 62.6 | 0 | 0 | 0 | 0 | 115.1 | T1021 I1022 H1027 L1028 | T1021-T1025 HydrophobicContact CG2-CG2 4.29Å; T1021-T1025 WeakPolarHBondContact O-CB 3.38Å; T1021-T1025 WeakPolarHBondContact O-CG2 3.27Å; T1021-T1025 PolarHBondContact O-N 3.32Å; T1021-T1025 PolarHBondContact O-OG1 3.38Å; I1022-T1025 PolarHBondContact O-N 2.93Å; T1025-H1027 PolarHBondContact O-N 3.4Å; T1025-L1028 VanDerWaalsContact O-CB 3.3Å; T1025-L1028 WeakPolarHBondContact O-CB 3.31Å; T1025-L1028 PolarHBondContact O-N 3.13Å |
| 1026 | Y | 80.2 | Confident | 79.1 | Confident | 24 Ų | 24 | 40 Ų | 40 | 9% | 0.094 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -54 | -31.8 | -173.8 | 77.8 | -80.7 | 0 | 0 | 0 | 114.4 | I1022 T1023 L1028 Y1029 A1030 L1033 F1038 V1041 | I1022-Y1026 VanDerWaalsContact O-CB 3.26Å; I1022-Y1026 WeakPolarHBondContact O-CB 3.44Å; I1022-Y1026 PolarHBondContact O-N 3.23Å; T1023-Y1026 WeakPolarHBondContact O-CD1 3.48Å; Y1026-L1028 PolarHBondContact O-N 3.09Å; Y1026-Y1029 CarbonylContact O-C 3.2Å; Y1026-Y1029 PolarHBondContact O-N 2.86Å; Y1026-A1030 PolarHBondContact O-N 3.49Å; Y1026-A1030 VanDerWaalsContact O-N 3.08Å; Y1026-L1033 HydrophobicContact CD2-CD1 4.17Å; Y1026-F1038 AromaticContact CE2-CE2 3.98Å; Y1026-F1038 HydrophobicContact CE2-CE2 3.98Å; Y1026-V1041 HydrophobicContact CD1-CG1 3.88Å; Y1026-V1041 HydrophobicContact CD2-CG1 4.09Å; Y1026-V1041 HydrophobicContact CE1-CG1 4.39Å; Y1026-V1041 HydrophobicContact CG-CG1 3.71Å |
| 1027 | H | 80.6 | Confident | 78 | Confident | 106 Ų | 106 | 34.8 Ų | 34.8 | 49% | 0.491 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -62.8 | -29.4 | 179.1 | 65 | -84.6 | 0 | 0 | 0 | 112.4 | S1024 T1025 Y1029 | S1024-H1027 PolarHBondContact O-CE1 3.43Å; S1024-H1027 PolarHBondContact O-ND1 3.31Å; S1024-H1027 VanDerWaalsContact O-ND1 3.07Å; T1025-H1027 PolarHBondContact O-N 3.4Å; H1027-Y1029 VanDerWaalsContact C-N 3.27Å; H1027-Y1029 PolarHBondContact O-N 3.09Å |
| 1028 | L | 82.4 | Confident | 76.8 | Confident | 68 Ų | 68 | 38.3 Ų | 38.3 | 36% | 0.356 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -67.8 | -29.7 | 174.4 | -59.9 | 176.5 | 0 | 0 | 0 | 111.8 | L877 V880 T1025 Y1026 | L877-L1028 HydrophobicContact CD2-CB 4.24Å; V880-L1028 WeakPolarHBondContact CG2-O 3.49Å; T1025-L1028 VanDerWaalsContact O-CB 3.3Å; T1025-L1028 WeakPolarHBondContact O-CB 3.31Å; T1025-L1028 PolarHBondContact O-N 3.13Å; Y1026-L1028 PolarHBondContact O-N 3.09Å |
| 1029 | Y | 84.1 | Confident | 75.7 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -105.6 | 11.5 | -177.5 | -45 | -58.4 | 0 | 0 | 0 | 113.3 | L868 H873 L876 L877 V880 F958 L962 Y1026 H1027 P1031 I1032 L1033 | L868-Y1029 HydrophobicContact CD1-CE2 4.46Å; L868-Y1029 WeakPolarHBondContact CD1-OH 3.42Å; H873-Y1029 PolarHBondContact CE1-OH 3.08Å; H873-Y1029 AromaticContact ND1-CZ 3.79Å; H873-Y1029 PolarHBondContact ND1-OH 3.23Å; L876-Y1029 HydrophobicContact CB-CD1 3.72Å; L876-Y1029 HydrophobicContact CB-CE1 3.4Å; L876-Y1029 HydrophobicContact CD1-CD1 4.39Å; L876-Y1029 HydrophobicContact CD1-CE1 3.95Å; L876-Y1029 HydrophobicContact CD1-CE2 4.33Å; L876-Y1029 HydrophobicContact CG-CE1 4.33Å; L877-Y1029 HydrophobicContact CD2-CD1 4.48Å; L877-Y1029 HydrophobicContact CD2-CE1 4.08Å; L877-Y1029 HydrophobicContact CG-CE1 4.33Å; V880-Y1029 HydrophobicContact CG2-CD1 4.25Å; F958-Y1029 HydrophobicContact CE1-CD2 4.47Å; F958-Y1029 HydrophobicContact CE1-CE2 4.05Å; F958-Y1029 HydrophobicContact CZ-CD2 4.18Å; F958-Y1029 AromaticContact CZ-CE2 3.69Å; F958-Y1029 HydrophobicContact CZ-CE2 3.69Å; L962-Y1029 HydrophobicContact CD1-CD2 4.17Å; L962-Y1029 HydrophobicContact CD2-CD2 4.08Å; L962-Y1029 HydrophobicContact CD2-CG 4.19Å; Y1026-Y1029 CarbonylContact O-C 3.2Å; Y1026-Y1029 PolarHBondContact O-N 2.86Å; H1027-Y1029 VanDerWaalsContact C-N 3.27Å; H1027-Y1029 PolarHBondContact O-N 3.09Å; Y1029-P1031 VanDerWaalsContact C-CD 3.41Å; Y1029-P1031 VanDerWaalsContact C-N 3.3Å; Y1029-P1031 VanDerWaalsContact O-N 3.15Å; Y1029-I1032 WeakPolarHBondContact O-CB 3.3Å; Y1029-I1032 PolarHBondContact O-N 3.26Å; Y1029-L1033 PolarHBondContact O-N 2.79Å |
| 1030 | A | 77.8 | Confident | 74.8 | Confident | 44 Ų | 44 | 41 Ų | 41 | 36% | 0.364 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -52.1 | -39.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y1026 I1032 L1033 | Y1026-A1030 PolarHBondContact O-N 3.49Å; Y1026-A1030 VanDerWaalsContact O-N 3.08Å; A1030-I1032 PolarHBondContact O-N 3.22Å; A1030-L1033 PolarHBondContact O-N 2.77Å; A1030-L1033 VanDerWaalsContact O-N 3.15Å |
| 1031 | P | 76.2 | Confident | 73.8 | Confident | 74 Ų | 74 | 38.8 Ų | 38.8 | 48% | 0.481 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -64.1 | -23.2 | 178.1 | -27.7 | 40.3 | 0 | 0 | 0 | 114.9 | V880 M883 Y1029 | V880-P1031 HydrophobicContact CG1-CB 4.46Å; V880-P1031 HydrophobicContact CG1-CG 3.89Å; M883-P1031 WeakPolarHBondContact CE-O 3.39Å; Y1029-P1031 VanDerWaalsContact C-CD 3.41Å; Y1029-P1031 VanDerWaalsContact C-N 3.3Å; Y1029-P1031 VanDerWaalsContact O-N 3.15Å |
| 1032 | I | 76.5 | Confident | 72.9 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -84.4 | -25.8 | 178.3 | -58 | 173.4 | 0 | 0 | 0 | 110.6 | L876 I879 V880 M883 L901 L963 Y1029 A1030 G1034 | L876-I1032 HydrophobicContact CD2-CD1 4.48Å; I879-I1032 HydrophobicContact CB-CD1 3.87Å; I879-I1032 HydrophobicContact CG2-CD1 3.56Å; I879-I1032 HydrophobicContact CG2-CG1 3.93Å; V880-I1032 HydrophobicContact CG2-CD1 3.46Å; V880-I1032 VanDerWaalsContact CG2-CD1 3.46Å; V880-I1032 HydrophobicContact CG2-CG1 3.81Å; M883-I1032 HydrophobicContact SD-CG1 3.77Å; L901-I1032 HydrophobicContact CD2-CG2 3.37Å; L901-I1032 WeakPolarHBondContact CD2-O 3.43Å; L963-I1032 HydrophobicContact CD2-CG2 3.41Å; L963-I1032 VanDerWaalsContact CD2-CG2 3.41Å; Y1029-I1032 WeakPolarHBondContact O-CB 3.3Å; Y1029-I1032 PolarHBondContact O-N 3.26Å; A1030-I1032 PolarHBondContact O-N 3.22Å; I1032-G1034 PolarHBondContact O-N 3.2Å |
| 1033 | L | 71.3 | Confident | 72.1 | Confident | 25 Ų | 25 | 48.1 Ų | 48.1 | 13% | 0.131 | 29% | 0.287 | C | S | . | . | trans | -66.8 | 127.7 | -173 | -66.8 | 172.1 | 0 | 0 | 0 | 111.8 | L962 Y1026 Y1029 A1030 | L962-L1033 HydrophobicContact CD1-CD2 3.62Å; L962-L1033 HydrophobicContact CG-CD2 3.9Å; Y1026-L1033 HydrophobicContact CD2-CD1 4.17Å; Y1029-L1033 PolarHBondContact O-N 2.79Å; A1030-L1033 PolarHBondContact O-N 2.77Å; A1030-L1033 VanDerWaalsContact O-N 3.15Å | ||
| 1034 | G | 63.9 | Low | 71.2 | Confident | 20 Ų | 20 | 48.7 Ų | 48.7 | 21% | 0.206 | 29% | 0.289 | C | S | . | . | trans | -65.3 | 154 | 165 | 0 | 0 | 0 | 0 | 0 | 111.3 | I1032 S1036 S1037 F1038 | I1032-G1034 PolarHBondContact O-N 3.2Å; G1034-S1036 PolarHBondContact O-N 3.29Å; G1034-S1036 VanDerWaalsContact O-N 3.12Å; G1034-S1037 WeakPolarHBondContact O-CB 3.44Å; G1034-S1037 PolarHBondContact O-N 2.92Å; G1034-F1038 PolarHBondContact O-N 3.5Å; G1034-F1038 VanDerWaalsContact O-N 3.14Å | ||
| 1035 | S | 60.8 | Low | 70.2 | Confident | 113 Ų | 113 | 51.8 Ų | 51.8 | 79% | 0.79 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -53.9 | -34.6 | 179.3 | 51.4 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1036 | S | 59.5 | Low | 68.9 | Low | 30 Ų | 30 | 52.2 Ų | 52.2 | 21% | 0.21 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -75 | -36 | 175.4 | 50.7 | 0 | 0 | 0 | 0 | 113.6 | S965 G1034 F1038 A1039 Q1040 | S965-S1036 WeakPolarHBondContact CB-OG 3.28Å; S965-S1036 WeakPolarHBondContact OG-CB 3.44Å; S965-S1036 PolarHBondContact OG-OG 3.19Å; G1034-S1036 PolarHBondContact O-N 3.29Å; G1034-S1036 VanDerWaalsContact O-N 3.12Å; S1036-F1038 VanDerWaalsContact C-N 3.26Å; S1036-F1038 PolarHBondContact O-N 3.03Å; S1036-A1039 PolarHBondContact O-N 3.14Å; S1036-Q1040 WeakPolarHBondContact O-CG 3.48Å; S1036-Q1040 PolarHBondContact O-N 2.91Å; S1036-Q1040 VanDerWaalsContact O-N 3.08Å |
| 1037 | S | 62.7 | Low | 67.7 | Low | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.007 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.1 | -38.6 | 174.3 | -59.1 | 0 | 0 | 0 | 0 | 110.7 | L962 G1034 A1039 Q1040 V1041 | L962-S1037 PolarHBondContact O-OG 3.37Å; G1034-S1037 WeakPolarHBondContact O-CB 3.44Å; G1034-S1037 PolarHBondContact O-N 2.92Å; S1037-A1039 PolarHBondContact O-N 2.64Å; S1037-Q1040 PolarHBondContact O-N 3.36Å; S1037-V1041 WeakPolarHBondContact O-CG2 3.5Å; S1037-V1041 PolarHBondContact O-N 3.47Å |
| 1038 | F | 64.2 | Low | 66.1 | Low | 78 Ų | 78 | 53.9 Ų | 53.9 | 34% | 0.342 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.7 | -48.3 | 177.2 | -166.6 | -89.3 | 0 | 0 | 0 | 111.8 | Y1026 G1034 S1036 Q1040 V1041 E1042 | Y1026-F1038 AromaticContact CE2-CE2 3.98Å; Y1026-F1038 HydrophobicContact CE2-CE2 3.98Å; G1034-F1038 PolarHBondContact O-N 3.5Å; G1034-F1038 VanDerWaalsContact O-N 3.14Å; S1036-F1038 VanDerWaalsContact C-N 3.26Å; S1036-F1038 PolarHBondContact O-N 3.03Å; F1038-Q1040 VanDerWaalsContact C-N 3.31Å; F1038-Q1040 PolarHBondContact O-N 2.82Å; F1038-V1041 PolarHBondContact O-N 3.08Å; F1038-V1041 VanDerWaalsContact O-N 3.14Å; F1038-E1042 WeakPolarHBondContact O-CB 3.33Å; F1038-E1042 PolarHBondContact O-N 3.25Å |
| 1039 | A | 64.2 | Low | 64.3 | Low | 51 Ų | 51 | 54.3 Ų | 54.3 | 42% | 0.421 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.3 | -37.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1036 S1037 E1042 T1043 | S1036-A1039 PolarHBondContact O-N 3.14Å; S1037-A1039 PolarHBondContact O-N 2.64Å; A1039-E1042 PolarHBondContact O-N 3.37Å; A1039-T1043 WeakPolarHBondContact O-CG2 3.47Å; A1039-T1043 PolarHBondContact O-N 3.38Å; A1039-T1043 PolarHBondContact O-OG1 3.35Å; A1039-T1043 VanDerWaalsContact O-OG1 3.14Å |
| 1040 | Q | 64.4 | Low | 62.5 | Low | 42 Ų | 42 | 61.1 Ų | 61.1 | 20% | 0.196 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.9 | -39.7 | 174.4 | -69.6 | -174.6 | 0.2 | 0 | 0 | 112.5 | S966 S1036 S1037 F1038 E1042 T1043 L1044 | S966-Q1040 PolarHBondContact OG-NE2 3.44Å; S966-Q1040 VanDerWaalsContact OG-NE2 3.11Å; S1036-Q1040 WeakPolarHBondContact O-CG 3.48Å; S1036-Q1040 PolarHBondContact O-N 2.91Å; S1036-Q1040 VanDerWaalsContact O-N 3.08Å; S1037-Q1040 PolarHBondContact O-N 3.36Å; F1038-Q1040 VanDerWaalsContact C-N 3.31Å; F1038-Q1040 PolarHBondContact O-N 2.82Å; Q1040-E1042 VanDerWaalsContact C-N 3.34Å; Q1040-T1043 WeakPolarHBondContact CA-OG1 3.36Å; Q1040-T1043 PolarHBondContact O-OG1 3.09Å; Q1040-L1044 VanDerWaalsContact O-CG 3.29Å; Q1040-L1044 WeakPolarHBondContact O-CG 3.16Å; Q1040-L1044 PolarHBondContact O-N 2.8Å |
| 1041 | V | 64.4 | Low | 60.7 | Low | 9 Ų | 9 | 63 Ų | 63 | 6% | 0.055 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68.7 | -37 | 175.9 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | I1022 Y1026 S1037 F1038 L1044 R1045 | I1022-V1041 HydrophobicContact CG2-CG1 4.36Å; I1022-V1041 HydrophobicContact CG2-CG2 3.79Å; Y1026-V1041 HydrophobicContact CD1-CG1 3.88Å; Y1026-V1041 HydrophobicContact CD2-CG1 4.09Å; Y1026-V1041 HydrophobicContact CE1-CG1 4.39Å; Y1026-V1041 HydrophobicContact CG-CG1 3.71Å; S1037-V1041 WeakPolarHBondContact O-CG2 3.5Å; S1037-V1041 PolarHBondContact O-N 3.47Å; F1038-V1041 PolarHBondContact O-N 3.08Å; F1038-V1041 VanDerWaalsContact O-N 3.14Å; V1041-L1044 WeakPolarHBondContact O-CB 3.23Å; V1041-L1044 PolarHBondContact O-N 2.82Å; V1041-R1045 PolarHBondContact O-N 3.26Å; V1041-R1045 VanDerWaalsContact O-N 3.13Å |
| 1042 | E | 67 | Low | 58.6 | Low | 117 Ų | 117 | 67.8 Ų | 67.8 | 55% | 0.547 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -69 | -40.6 | 179.4 | -152.6 | 162.6 | -148.1 | 0 | 0 | 111.9 | F1038 A1039 Q1040 L1044 R1045 G1046 | F1038-E1042 WeakPolarHBondContact O-CB 3.33Å; F1038-E1042 PolarHBondContact O-N 3.25Å; A1039-E1042 PolarHBondContact O-N 3.37Å; Q1040-E1042 VanDerWaalsContact C-N 3.34Å; E1042-L1044 VanDerWaalsContact C-N 3.34Å; E1042-L1044 PolarHBondContact O-N 3.16Å; E1042-R1045 WeakPolarHBondContact O-CA 3.18Å; E1042-R1045 VanDerWaalsContact O-CB 3.28Å; E1042-R1045 WeakPolarHBondContact O-CB 3.3Å; E1042-R1045 PolarHBondContact O-N 3.42Å; E1042-R1045 VanDerWaalsContact O-N 3.08Å; E1042-G1046 PolarHBondContact O-N 3.4Å |
| 1043 | T | 66.2 | Low | 56.5 | Low | 90 Ų | 90 | 76.6 Ų | 76.6 | 55% | 0.552 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -61.4 | -39.2 | 171.4 | 52.8 | 0 | 0 | 0 | 0 | 112.5 | A1039 Q1040 R1045 G1046 V1047 | A1039-T1043 WeakPolarHBondContact O-CG2 3.47Å; A1039-T1043 PolarHBondContact O-N 3.38Å; A1039-T1043 PolarHBondContact O-OG1 3.35Å; A1039-T1043 VanDerWaalsContact O-OG1 3.14Å; Q1040-T1043 WeakPolarHBondContact CA-OG1 3.36Å; Q1040-T1043 PolarHBondContact O-OG1 3.09Å; T1043-R1045 PolarHBondContact O-N 3.2Å; T1043-G1046 PolarHBondContact O-N 2.88Å; T1043-G1046 VanDerWaalsContact O-N 3.12Å; T1043-V1047 PolarHBondContact O-N 3.42Å; T1043-V1047 VanDerWaalsContact O-N 3.07Å |
| 1044 | L | 62.2 | Low | 54.5 | Low | 28 Ų | 28 | 83.8 Ų | 83.8 | 15% | 0.147 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -62 | -32.8 | 173.6 | -70.8 | 169.3 | 0 | 0 | 0 | 112.3 | T1019 T1023 Q1040 V1041 E1042 | T1019-L1044 HydrophobicContact CG2-CB 4.5Å; T1019-L1044 HydrophobicContact CG2-CD1 4.26Å; T1019-L1044 HydrophobicContact CG2-CD2 3.93Å; T1019-L1044 HydrophobicContact CG2-CG 4.47Å; T1023-L1044 HydrophobicContact CG2-CB 4.02Å; Q1040-L1044 VanDerWaalsContact O-CG 3.29Å; Q1040-L1044 WeakPolarHBondContact O-CG 3.16Å; Q1040-L1044 PolarHBondContact O-N 2.8Å; V1041-L1044 WeakPolarHBondContact O-CB 3.23Å; V1041-L1044 PolarHBondContact O-N 2.82Å; E1042-L1044 VanDerWaalsContact C-N 3.34Å; E1042-L1044 PolarHBondContact O-N 3.16Å |
| 1045 | R | 62 | Low | 52.9 | Low | 135 Ų | 135 | 89.4 Ų | 89.4 | 51% | 0.509 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.2 | -38.7 | 173.9 | -147.9 | -177.5 | -155 | -176.1 | 7.1 | 111.7 | V1041 E1042 T1043 K1048 A1049 | V1041-R1045 PolarHBondContact O-N 3.26Å; V1041-R1045 VanDerWaalsContact O-N 3.13Å; E1042-R1045 WeakPolarHBondContact O-CA 3.18Å; E1042-R1045 VanDerWaalsContact O-CB 3.28Å; E1042-R1045 WeakPolarHBondContact O-CB 3.3Å; E1042-R1045 PolarHBondContact O-N 3.42Å; E1042-R1045 VanDerWaalsContact O-N 3.08Å; T1043-R1045 PolarHBondContact O-N 3.2Å; R1045-K1048 WeakPolarHBondContact O-CB 3.41Å; R1045-K1048 PolarHBondContact O-N 3.46Å; R1045-A1049 PolarHBondContact O-N 2.92Å |
| 1046 | G | 55.9 | Low | 51.3 | Low | 37 Ų | 37 | 90.8 Ų | 90.8 | 38% | 0.381 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E1042 T1043 K1048 A1049 I1050 | E1042-G1046 PolarHBondContact O-N 3.4Å; T1043-G1046 PolarHBondContact O-N 2.88Å; T1043-G1046 VanDerWaalsContact O-N 3.12Å; G1046-K1048 VanDerWaalsContact C-N 3.28Å; G1046-K1048 PolarHBondContact O-N 3.35Å; G1046-A1049 WeakPolarHBondContact O-CB 3.32Å; G1046-A1049 PolarHBondContact O-N 3.39Å; G1046-I1050 PolarHBondContact O-N 3.12Å |
| 1047 | V | 55.2 | Low | 49.9 | Very low | 98 Ų | 98 | 97.2 Ų | 97.2 | 59% | 0.594 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.5 | -37.6 | 176.8 | 177.1 | 0 | 0 | 0 | 0 | 111.6 | T1043 A1049 I1050 S1051 | T1043-V1047 PolarHBondContact O-N 3.42Å; T1043-V1047 VanDerWaalsContact O-N 3.07Å; V1047-A1049 VanDerWaalsContact C-N 3.33Å; V1047-A1049 PolarHBondContact O-N 3.44Å; V1047-I1050 PolarHBondContact O-N 3.28Å; V1047-S1051 PolarHBondContact O-N 3.04Å |
| 1048 | K | 47.9 | Very low | 48.4 | Very low | 67 Ų | 67 | 103.8 Ų | 103.8 | 29% | 0.291 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.4 | -28.6 | 174.5 | -80.8 | -176.8 | 174.3 | -179.8 | 0 | 114.1 | N1020 T1023 R1045 G1046 I1050 | N1020-K1048 WeakPolarHBondContact OD1-CE 3.49Å; N1020-K1048 PolarHBondContact OD1-NZ 2.79Å; T1023-K1048 PolarHBondContact OG1-NZ 3.5Å; R1045-K1048 WeakPolarHBondContact O-CB 3.41Å; R1045-K1048 PolarHBondContact O-N 3.46Å; G1046-K1048 VanDerWaalsContact C-N 3.28Å; G1046-K1048 PolarHBondContact O-N 3.35Å; K1048-I1050 VanDerWaalsContact C-N 3.25Å |
| 1049 | A | 45.1 | Very low | 46.7 | Very low | 78 Ų | 78 | 109.6 Ų | 109.6 | 65% | 0.645 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -70.6 | -27.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | R1045 G1046 V1047 | R1045-A1049 PolarHBondContact O-N 2.92Å; G1046-A1049 WeakPolarHBondContact O-CB 3.32Å; G1046-A1049 PolarHBondContact O-N 3.39Å; V1047-A1049 VanDerWaalsContact C-N 3.33Å; V1047-A1049 PolarHBondContact O-N 3.44Å |
| 1050 | I | 44.5 | Very low | 45.1 | Very low | 143 Ų | 143 | 112.5 Ų | 112.5 | 73% | 0.733 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -82.5 | -32.7 | 178.8 | -58.5 | 169.3 | 0 | 0 | 0 | 111.2 | G1046 V1047 K1048 K1052 | G1046-I1050 PolarHBondContact O-N 3.12Å; V1047-I1050 PolarHBondContact O-N 3.28Å; K1048-I1050 VanDerWaalsContact C-N 3.25Å; I1050-K1052 PolarHBondContact O-N 3.29Å |
| 1051 | S | 40.3 | Very low | 43.3 | Very low | 83 Ų | 83 | 117.1 Ų | 117.1 | 58% | 0.58 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -84 | 0.2 | -177.6 | 66 | 0 | 0 | 0 | 0 | 115.6 | V1047 E1053 | V1047-S1051 PolarHBondContact O-N 3.04Å; S1051-E1053 PolarHBondContact O-N 2.87Å |
| 1052 | K | 33 | Very low | 41.5 | Very low | 175 Ų | 175 | 122.1 Ų | 122.1 | 76% | 0.761 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | 22.7 | -176.3 | -89.2 | -166.9 | 177.8 | -169.3 | 0 | 115.5 | I1050 | I1050-K1052 PolarHBondContact O-N 3.29Š|
| 1053 | E | 32.5 | Very low | 39.9 | Very low | 189 Ų | 189 | 121.5 Ų | 121.5 | 88% | 0.883 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | 2.4 | 167.8 | -85.9 | -171.5 | 166.6 | 0 | 0 | 114.7 | S1051 | S1051-E1053 PolarHBondContact O-N 2.87Š|
| 1054 | E | 28.3 | Very low | 38.1 | Very low | 175 Ų | 175 | 127 Ų | 127 | 82% | 0.818 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -111.9 | 112.3 | 174.4 | -71.2 | -175.8 | 166.6 | 0 | 0 | 113.6 | ||
| 1055 | T | 30.2 | Very low | 36.4 | Very low | 139 Ų | 139 | 133.3 Ų | 133.3 | 85% | 0.853 | 72% | 0.722 | S | S | * | * | trans | 25.4 | 114.7 | 157 | 56 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1056 | N | 28.5 | Very low | 34.7 | Very low | 142 Ų | 142 | 132.2 Ų | 132.2 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | trans | -14.8 | 121.9 | 155.7 | -87 | -18.1 | 0 | 0 | 0 | 117.2 | ||||
| 1057 | D | 30.2 | Very low | 33.3 | Very low | 164 Ų | 164 | 136.6 Ų | 136.6 | 88% | 0.877 | 76% | 0.757 | S | S | * | * | -146.3 | 130.5 | 129.3 | -107.8 | -24.6 | 0 | 0 | 0 | 111.5 | K1059 | D1057-K1059 PolarHBondContact O-N 3.29Š| |||
| 1058 | N | 29.4 | Very low | 32 | Very low | 140 Ų | 140 | 139.7 Ų | 139.7 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | trans | -77.8 | 103.4 | -165.3 | -70.1 | -44.7 | 0 | 0 | 0 | 112.5 | ||||
| 1059 | K | 28.5 | Very low | 31 | Very low | 200 Ų | 200 | 142 Ų | 142 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | trans | -137.5 | 78.9 | 152.8 | -75.5 | -173.2 | -180 | 173.8 | 0 | 109.9 | D1057 T1061 | D1057-K1059 PolarHBondContact O-N 3.29Å; K1059-T1061 PolarHBondContact O-N 3.35Å | ||
| 1060 | S | 31.1 | Very low | 30.1 | Very low | 111 Ų | 111 | 141.5 Ų | 141.5 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -74.9 | 97 | 171.1 | 55 | 0 | 0 | 0 | 0 | 109.8 | C1062 | S1060-C1062 PolarHBondContact O-N 3.11Š| ||
| 1061 | T | 27.2 | Very low | 29.7 | Very low | 140 Ų | 140 | 141.3 Ų | 141.3 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | -67.8 | 114 | 162.7 | 39.1 | 0 | 0 | 0 | 0 | 108.4 | K1059 S1063 | K1059-T1061 PolarHBondContact O-N 3.35Å; T1061-S1063 PolarHBondContact O-N 2.83Å | ||
| 1062 | C | 27.2 | Very low | 29.7 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 116.8 | -179.6 | -74.7 | 0 | 0 | 0 | 0 | 110.3 | S1060 F1064 | S1060-C1062 PolarHBondContact O-N 3.11Å; C1062-F1064 PolarHBondContact O-N 3.19Å |
| 1063 | S | 31.9 | Very low | 29.8 | Very low | 104 Ų | 104 | 145.3 Ų | 145.3 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -65 | 123.3 | 159.9 | 51 | 0 | 0 | 0 | 0 | 108.5 | T1061 | T1061-S1063 PolarHBondContact O-N 2.83Š|
| 1064 | F | 29 | Very low | 29.8 | Very low | 206 Ų | 206 | 145.5 Ų | 145.5 | 90% | 0.904 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -56.8 | 137.7 | -177.3 | -85.2 | -97 | 0 | 0 | 0 | 111.9 | C1062 | C1062-F1064 PolarHBondContact O-N 3.19Š|
| 1065 | L | 26.6 | Very low | 30.1 | Very low | 159 Ų | 159 | 149.3 Ų | 149.3 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | trans | 82.4 | 85.2 | 178.1 | -73.6 | 151.7 | 0 | 0 | 0 | 118.3 | ||||
| 1066 | P | 26.8 | Very low | 30.2 | Very low | 113 Ų | 113 | 154.1 Ų | 154.1 | 73% | 0.734 | 82% | 0.822 | S | S | * | * | trans | -86.5 | 111.3 | 163 | 31.8 | -26.3 | 0 | 0 | 0 | 111 | ||||
| 1067 | C | 25.3 | Very low | 30.3 | Very low | 129 Ų | 129 | 154.9 Ų | 154.9 | 87% | 0.872 | 83% | 0.825 | S | S | * | * | trans | -86.3 | 114 | 162 | -90.9 | 0 | 0 | 0 | 0 | 109.7 | S1069 | C1067-S1069 PolarHBondContact O-N 3.31Š| ||
| 1068 | I | 27.5 | Very low | 30.4 | Very low | 162 Ų | 162 | 153.9 Ų | 153.9 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | trans | -86.1 | 103 | 179.6 | -58.3 | 167.6 | 0 | 0 | 0 | 108 | ||||
| 1069 | S | 28.2 | Very low | 30.7 | Very low | 116 Ų | 116 | 154.2 Ų | 154.2 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | trans | -116.7 | 99 | 167.2 | 151.5 | 0 | 0 | 0 | 0 | 108 | C1067 | C1067-S1069 PolarHBondContact O-N 3.31Š| ||
| 1070 | G | 25.8 | Very low | 30.7 | Very low | 68 Ų | 68 | 151 Ų | 151 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | trans | -87.2 | 129.3 | -178 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1071 | T | 35.4 | Very low | 30.8 | Very low | 138 Ų | 138 | 149.6 Ų | 149.6 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | trans | -136.2 | 141 | 148.9 | 49.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1072 | K | 40.8 | Very low | 30.7 | Very low | 196 Ų | 196 | 150 Ų | 150 | 85% | 0.852 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -69.1 | 131.4 | -162.9 | -64.8 | 177.5 | 178.5 | 176.8 | 0 | 110.5 | ||
| 1073 | N | 34.5 | Very low | 30.9 | Very low | 147 Ų | 147 | 148.8 Ų | 148.8 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 89.9 | 88.3 | 166.9 | -51.9 | -23.4 | 0 | 0 | 0 | 115.4 | ||
| 1074 | K | 33.9 | Very low | 30.9 | Very low | 193 Ų | 193 | 153.5 Ų | 153.5 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | 64 | 105.3 | 151.5 | -56.5 | 176.4 | 178.3 | 179.4 | 0 | 114.2 | ||||
| 1075 | R | 33.5 | Very low | 31 | Very low | 254 Ų | 254 | 148.7 Ų | 148.7 | 96% | 0.958 | 79% | 0.788 | S | S | * | * | -174.1 | 151.4 | 123.4 | -100.4 | 155.8 | -169.2 | -157.2 | 4.1 | 113 | |||||
| 1076 | R | 31.9 | Very low | 31.2 | Very low | 241 Ų | 241 | 144.9 Ų | 144.9 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | trans | -51.8 | 139.1 | -179.2 | -70.7 | 169.2 | 170.5 | 177.6 | -4.9 | 112.3 | N1078 | R1076-N1078 PolarHBondContact O-N 3.29Š| ||
| 1077 | L | 32.3 | Very low | 31.4 | Very low | 157 Ų | 157 | 144.8 Ų | 144.8 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | -52.5 | 111.1 | 165.5 | -71.1 | 150.3 | 0 | 0 | 0 | 109.6 | ||||
| 1078 | N | 30.7 | Very low | 31.7 | Very low | 144 Ų | 144 | 144.6 Ų | 144.6 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | trans | -130.4 | 77.2 | 163.3 | -129.1 | 9.1 | 0 | 0 | 0 | 107.9 | R1076 N1080 | R1076-N1078 PolarHBondContact O-N 3.29Å; N1078-N1080 VanDerWaalsContact C-N 3.34Å; N1078-N1080 PolarHBondContact O-N 3.13Å | ||
| 1079 | L | 36.6 | Very low | 31.9 | Very low | 146 Ų | 146 | 142.7 Ų | 142.7 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | trans | -84.1 | 81.9 | 169.7 | -66.1 | 168.4 | 0 | 0 | 0 | 107 | P1081 | L1079-P1081 WeakPolarHBondContact O-CD 3.24Š| ||
| 1080 | N | 28.7 | Very low | 32 | Very low | 133 Ų | 133 | 141.5 Ų | 141.5 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | trans | -71.4 | 114.7 | 162.8 | -81.4 | -2 | 0 | 0 | 0 | 106.6 | N1078 L1082 | N1078-N1080 VanDerWaalsContact C-N 3.34Å; N1078-N1080 PolarHBondContact O-N 3.13Å; N1080-L1082 PolarHBondContact O-N 3.45Å | ||
| 1081 | P | 32.2 | Very low | 32.3 | Very low | 82 Ų | 82 | 143.2 Ų | 143.2 | 53% | 0.532 | 75% | 0.746 | S | S | . | * | trans | -59.9 | 129.1 | 171.2 | 25.3 | -31.4 | 0 | 0 | 0 | 107.9 | L1079 P1083 | L1079-P1081 WeakPolarHBondContact O-CD 3.24Å; P1081-P1083 WeakPolarHBondContact O-CD 3.41Å | ||
| 1082 | L | 26.3 | Very low | 32.4 | Very low | 147 Ų | 147 | 144.6 Ų | 144.6 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | trans | -54.8 | 121.5 | 170.3 | -90.1 | 136.7 | 0 | 0 | 0 | 107.8 | N1080 F1084 | N1080-L1082 PolarHBondContact O-N 3.45Å; L1082-F1084 PolarHBondContact O-N 2.74Å | ||
| 1083 | P | 31.3 | Very low | 32 | Very low | 90 Ų | 90 | 145.2 Ų | 145.2 | 58% | 0.584 | 74% | 0.738 | S | S | * | * | trans | -66.8 | 100.8 | 176.5 | 25.9 | -30.8 | 0 | 0 | 0 | 107.8 | P1081 S1085 | P1081-P1083 WeakPolarHBondContact O-CD 3.41Å; P1083-S1085 PolarHBondContact O-N 3.22Å; P1083-S1085 VanDerWaalsContact O-N 3.07Å | ||
| 1084 | F | 31.9 | Very low | 32.1 | Very low | 202 Ų | 202 | 141.4 Ų | 141.4 | 89% | 0.886 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -66.7 | -0.9 | 173.1 | -96.2 | -82.1 | 0 | 0 | 0 | 112.9 | L1082 S1086 | L1082-F1084 PolarHBondContact O-N 2.74Å; F1084-S1086 PolarHBondContact O-N 3.48Å |
| 1085 | S | 31.4 | Very low | 32.4 | Very low | 105 Ų | 105 | 135 Ų | 135 | 73% | 0.734 | 70% | 0.699 | S | S | * | * | trans | -98.7 | 56 | 173.2 | 67.5 | 0 | 0 | 0 | 0 | 112 | P1083 | P1083-S1085 PolarHBondContact O-N 3.22Å; P1083-S1085 VanDerWaalsContact O-N 3.07Å | ||
| 1086 | S | 29.3 | Very low | 32.9 | Very low | 80 Ų | 80 | 130 Ų | 130 | 56% | 0.559 | 69% | 0.691 | S | S | * | * | trans | -145 | 48.9 | 162.2 | 63.7 | 0 | 0 | 0 | 0 | 111.9 | F1084 I1088 | F1084-S1086 PolarHBondContact O-N 3.48Å; S1086-I1088 PolarHBondContact O-N 3.28Å; S1086-I1088 VanDerWaalsContact O-N 3.09Å | ||
| 1087 | S | 31.5 | Very low | 33.5 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 77% | 0.769 | 69% | 0.687 | S | S | * | * | trans | -71.4 | 21.7 | 149.2 | 68 | 0 | 0 | 0 | 0 | 111.9 | C1089 | S1087-C1089 PolarHBondContact O-N 3.24Š| ||
| 1088 | I | 31.2 | Very low | 34 | Very low | 126 Ų | 126 | 128.1 Ų | 128.1 | 65% | 0.646 | 68% | 0.683 | S | S | * | * | trans | -69.6 | 94.4 | 156.6 | -62.5 | 167.9 | 0 | 0 | 0 | 103.3 | S1086 V1090 | S1086-I1088 PolarHBondContact O-N 3.28Å; S1086-I1088 VanDerWaalsContact O-N 3.09Å; I1088-V1090 PolarHBondContact O-N 3.25Å | ||
| 1089 | C | 31.9 | Very low | 34.2 | Very low | 121 Ų | 121 | 124.4 Ų | 124.4 | 82% | 0.818 | 68% | 0.678 | S | S | * | * | trans | -44.8 | 97.2 | 156.9 | -69.7 | 0 | 0 | 0 | 0 | 106 | S1087 N1091 | S1087-C1089 PolarHBondContact O-N 3.24Å; C1089-N1091 PolarHBondContact O-N 2.84Å | ||
| 1090 | V | 30.5 | Very low | 34.2 | Very low | 91 Ų | 91 | 122.3 Ų | 122.3 | 55% | 0.552 | 67% | 0.668 | S | S | * | * | trans | -56.1 | 110.2 | 179.8 | 170.7 | 0 | 0 | 0 | 0 | 104.3 | I1088 K1092 V1095 | I1088-V1090 PolarHBondContact O-N 3.25Å; V1090-K1092 PolarHBondContact O-N 3.34Å; V1090-V1095 HydrophobicContact CG1-CB 4.22Å; V1090-V1095 HydrophobicContact CG1-CG2 3.38Å | ||
| 1091 | N | 33.6 | Very low | 34.7 | Very low | 105 Ų | 105 | 120.7 Ų | 120.7 | 56% | 0.561 | 67% | 0.665 | S | S | * | * | trans | -62.9 | 93.1 | 172 | -166.5 | -8.7 | 0 | 0 | 0 | 104.8 | C1089 W1093 S1094 | C1089-N1091 PolarHBondContact O-N 2.84Å; N1091-W1093 PolarHBondContact O-N 3.32Å; N1091-S1094 PolarHBondContact O-N 3.47Å; N1091-S1094 PolarHBondContact O-OG 2.72Å; N1091-S1094 VanDerWaalsContact O-OG 3.1Å | ||
| 1092 | K | 35.7 | Very low | 34.9 | Very low | 167 Ų | 167 | 125.6 Ų | 125.6 | 73% | 0.726 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -47.4 | -27.5 | -173.7 | -86.8 | 179.6 | 171.8 | 175.9 | 0 | 111.7 | V1090 L1096 | V1090-K1092 PolarHBondContact O-N 3.34Å; K1092-L1096 WeakPolarHBondContact O-CG 3.41Å; K1092-L1096 PolarHBondContact O-N 3.07Å |
| 1093 | W | 32.7 | Very low | 35.8 | Very low | 209 Ų | 209 | 120.7 Ų | 120.7 | 79% | 0.792 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -66.7 | -37.5 | 176.8 | -70.6 | 89.1 | 0 | 0 | 0 | 115.4 | N1091 | N1091-W1093 PolarHBondContact O-N 3.32Å |
| 1094 | S | 37.8 | Very low | 36 | Very low | 67 Ų | 67 | 125.9 Ų | 125.9 | 47% | 0.469 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -76 | -34 | 178.9 | 65.3 | 0 | 0 | 0 | 0 | 112 | N1091 R1097 N1098 | N1091-S1094 PolarHBondContact O-N 3.47Å; N1091-S1094 PolarHBondContact O-OG 2.72Å; N1091-S1094 VanDerWaalsContact O-OG 3.1Å; S1094-R1097 PolarHBondContact O-N 3.24Å; S1094-N1098 PolarHBondContact O-N 2.8Å |
| 1095 | V | 39.7 | Very low | 36.3 | Very low | 58 Ų | 58 | 124.7 Ų | 124.7 | 35% | 0.352 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -72.7 | -34.9 | -179.5 | 177.2 | 0 | 0 | 0 | 0 | 112.1 | V1090 R1097 N1098 A1103 | V1090-V1095 HydrophobicContact CG1-CB 4.22Å; V1090-V1095 HydrophobicContact CG1-CG2 3.38Å; V1095-R1097 PolarHBondContact O-N 3Å; V1095-N1098 PolarHBondContact O-N 2.92Å; V1095-A1103 HydrophobicContact CG1-CB 3.95Å |
| 1096 | L | 43.8 | Very low | 36.3 | Very low | 149 Ų | 149 | 129.3 Ų | 129.3 | 78% | 0.78 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -63.1 | -28.3 | 173.5 | -80.8 | 166.5 | 0 | 0 | 0 | 113 | K1092 | K1092-L1096 WeakPolarHBondContact O-CG 3.41Å; K1092-L1096 PolarHBondContact O-N 3.07Å |
| 1097 | R | 45.6 | Very low | 36.6 | Very low | 222 Ų | 222 | 131.8 Ų | 131.8 | 84% | 0.838 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -77.7 | -36.5 | 179.2 | -111.3 | -173.9 | -160.4 | -173.2 | 6.8 | 113.7 | S1094 V1095 | S1094-R1097 PolarHBondContact O-N 3.24Å; V1095-R1097 PolarHBondContact O-N 3Å |
| 1098 | N | 42.3 | Very low | 36.9 | Very low | 137 Ų | 137 | 132.9 Ų | 132.9 | 73% | 0.733 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -98.8 | 12.1 | -166.7 | -72.3 | 1.7 | 0 | 0 | 0 | 114.6 | S1094 V1095 N1100 | S1094-N1098 PolarHBondContact O-N 2.8Å; V1095-N1098 PolarHBondContact O-N 2.92Å; N1098-N1100 PolarHBondContact O-N 3.38Å |
| 1099 | G | 33.7 | Very low | 37.2 | Very low | 65 Ų | 65 | 133.3 Ų | 133.3 | 67% | 0.67 | 68% | 0.683 | S | S | * | * | trans | 53.8 | 29.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | P1101 | G1099-P1101 VanDerWaalsContact O-CD 3.26Å; G1099-P1101 WeakPolarHBondContact O-CD 3.38Å | ||
| 1100 | N | 37.3 | Very low | 37.6 | Very low | 102 Ų | 102 | 134 Ų | 134 | 55% | 0.545 | 68% | 0.675 | S | S | . | * | trans | -81.5 | 113.2 | -176.4 | -165.2 | -14.9 | 0 | 0 | 0 | 109.7 | N1098 Y1102 A1103 | N1098-N1100 PolarHBondContact O-N 3.38Å; N1100-Y1102 PolarHBondContact O-N 2.74Å; N1100-Y1102 VanDerWaalsContact O-N 3.17Å; N1100-Y1102 PolarHBondContact OD1-N 2.85Å; N1100-A1103 PolarHBondContact O-N 3.31Å | ||
| 1101 | P | 38.5 | Very low | 38 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 64% | 0.643 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -64.7 | -20 | -173.9 | 25.1 | -34.5 | 0 | 0 | 0 | 113.8 | G1099 A1103 K1104 | G1099-P1101 VanDerWaalsContact O-CD 3.26Å; G1099-P1101 WeakPolarHBondContact O-CD 3.38Å; P1101-A1103 PolarHBondContact O-N 3.17Å; P1101-K1104 PolarHBondContact O-N 2.92Å |
| 1102 | Y | 38 | Very low | 38.3 | Very low | 185 Ų | 185 | 138.8 Ų | 138.8 | 73% | 0.725 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -64.2 | -22.1 | 178.2 | -99.9 | -85.4 | 0 | 0 | 0 | 113.7 | N1100 | N1100-Y1102 PolarHBondContact O-N 2.74Å; N1100-Y1102 VanDerWaalsContact O-N 3.17Å; N1100-Y1102 PolarHBondContact OD1-N 2.85Å |
| 1103 | A | 44.6 | Very low | 38.5 | Very low | 45 Ų | 45 | 136.8 Ų | 136.8 | 37% | 0.372 | 69% | 0.689 | S | S | . | * | G | 310 helix | trans | -85.3 | -3.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V1095 N1100 P1101 I1106 | V1095-A1103 HydrophobicContact CG1-CB 3.95Å; N1100-A1103 PolarHBondContact O-N 3.31Å; P1101-A1103 PolarHBondContact O-N 3.17Å; A1103-I1106 VanDerWaalsContact O-OXT 3.06Å |
| 1104 | K | 34.7 | Very low | 38.9 | Very low | 198 Ų | 198 | 131.2 Ų | 131.2 | 86% | 0.861 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -82.3 | -15.2 | 172.5 | -99.2 | -175.8 | 177.2 | -179.9 | 0 | 113.4 | P1101 | P1101-K1104 PolarHBondContact O-N 2.92Š|
| 1105 | Q | 39.2 | Very low | 39 | Very low | 177 Ų | 177 | 136.6 Ų | 136.6 | 83% | 0.827 | 70% | 0.698 | S | S | * | * | trans | -90.7 | -17.5 | 176.8 | -95.9 | -177.9 | -12.7 | 0 | 0 | 113.5 | ||||
| 1106 | I | 30.9 | Very low | 39 | Very low | 202 Ų | 202 | 143.7 Ų | 143.7 | 100% | 1.036 | 73% | 0.73 | S | S | * | * | trans | -91.8 | 0 | 168.4 | -54.7 | 176.7 | 0 | 0 | 0 | 107.1 | A1103 | A1103-I1106 VanDerWaalsContact O-OXT 3.06Š|
Retrieved 1,106 of 1,106 residues in 1893 ms
(Link to these results)