| 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 | 51.4 | Low | 61.9 | Low | 215 Ų | 215 | 111.2 Ų | 111.2 | 100% | 1.059 | 56% | 0.556 | S | S | * | * | 0 | -46.8 | 0 | -94.8 | -175 | 173.9 | 0 | 0 | 112.3 | I3 V4 | M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3.43Å; M1-I3 VanDerWaalsContact O-N 3.17Å; M1-V4 WeakPolarHBondContact O-CB 3.45Å; M1-V4 PolarHBondContact O-N 3.13Å | |||
| 2 | E | 60.9 | Low | 62.7 | Low | 165 Ų | 165 | 111.9 Ų | 111.9 | 77% | 0.771 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -54.8 | -37.4 | -164.3 | -63.7 | 163.8 | 157.2 | 0 | 0 | 115.5 | V4 V5 F6 | E2-V4 PolarHBondContact O-N 3.35Å; E2-V5 CarbonylContact O-C 3.58Å; E2-V5 WeakPolarHBondContact O-CA 3.48Å; E2-V5 WeakPolarHBondContact O-CB 3.32Å; E2-V5 PolarHBondContact O-N 3.26Å; E2-F6 PolarHBondContact O-N 3.35Å |
| 3 | I | 56.1 | Low | 62.9 | Low | 92 Ų | 92 | 114 Ų | 114 | 47% | 0.472 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -54 | -39.1 | 176.5 | -63.1 | 172.8 | 0 | 0 | 0 | 111.9 | M1 V5 F6 F7 | M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3.43Å; M1-I3 VanDerWaalsContact O-N 3.17Å; I3-V5 VanDerWaalsContact C-N 3.32Å; I3-V5 PolarHBondContact O-N 3.16Å; I3-F6 PolarHBondContact O-N 3.28Å; I3-F7 HydrophobicContact CG2-CD2 3.77Å; I3-F7 HydrophobicContact CG2-CE2 3.82Å; I3-F7 WeakPolarHBondContact O-CD2 3.45Å; I3-F7 PolarHBondContact O-N 2.85Å |
| 4 | V | 61.5 | Low | 62.8 | Low | 99 Ų | 99 | 111.2 Ų | 111.2 | 60% | 0.6 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -69.4 | -32.7 | 177.5 | -177.6 | 0 | 0 | 0 | 0 | 111.3 | M1 E2 R8 | M1-V4 WeakPolarHBondContact O-CB 3.45Å; M1-V4 PolarHBondContact O-N 3.13Å; E2-V4 PolarHBondContact O-N 3.35Å; V4-R8 WeakPolarHBondContact O-CB 3.18Å; V4-R8 PolarHBondContact O-N 3.44Å; V4-R8 VanDerWaalsContact O-N 3.11Å |
| 5 | V | 64.4 | Low | 62.9 | Low | 100 Ų | 100 | 108.3 Ų | 108.3 | 61% | 0.606 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -70.1 | -42.8 | 174.6 | -174.6 | 0 | 0 | 0 | 0 | 110.3 | E2 I3 R8 A9 | E2-V5 CarbonylContact O-C 3.58Å; E2-V5 WeakPolarHBondContact O-CA 3.48Å; E2-V5 WeakPolarHBondContact O-CB 3.32Å; E2-V5 PolarHBondContact O-N 3.26Å; I3-V5 VanDerWaalsContact C-N 3.32Å; I3-V5 PolarHBondContact O-N 3.16Å; V5-R8 PolarHBondContact O-N 3.49Å; V5-A9 WeakPolarHBondContact O-CB 3.43Å; V5-A9 PolarHBondContact O-N 3.29Å |
| 6 | F | 63.2 | Low | 62.6 | Low | 136 Ų | 136 | 105 Ų | 105 | 60% | 0.596 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -60.6 | -53.1 | 177 | -177.3 | -95.6 | 0 | 0 | 0 | 112 | E2 I3 R8 A9 L10 | E2-F6 PolarHBondContact O-N 3.35Å; I3-F6 PolarHBondContact O-N 3.28Å; F6-R8 VanDerWaalsContact C-N 3.26Å; F6-R8 PolarHBondContact O-N 3.39Å; F6-A9 PolarHBondContact O-N 3.1Å; F6-A9 VanDerWaalsContact O-N 3.15Å; F6-L10 HydrophobicContact CE1-CD1 3.79Å; F6-L10 HydrophobicContact CZ-CD1 3.92Å; F6-L10 PolarHBondContact O-N 3.23Å |
| 7 | F | 61.7 | Low | 61.9 | Low | 49 Ų | 49 | 108.4 Ų | 108.4 | 22% | 0.215 | 56% | 0.556 | C | S | . | * | H | α-helix | trans | -58.7 | -38.2 | 175.6 | -86.9 | -71.7 | 0 | 0 | 0 | 112.3 | I3 L10 L11 L65 | I3-F7 HydrophobicContact CG2-CD2 3.77Å; I3-F7 HydrophobicContact CG2-CE2 3.82Å; I3-F7 WeakPolarHBondContact O-CD2 3.45Å; I3-F7 PolarHBondContact O-N 2.85Å; F7-L10 PolarHBondContact O-N 2.79Å; F7-L11 WeakPolarHBondContact O-CB 3.43Å; F7-L11 WeakPolarHBondContact O-CD1 3.43Å; F7-L11 PolarHBondContact O-N 3.1Å; F7-L65 HydrophobicContact CE1-CD1 4.39Å |
| 8 | R | 66.8 | Low | 61.3 | Low | 185 Ų | 185 | 105.7 Ų | 105.7 | 70% | 0.698 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69 | -34.7 | 177.9 | -162.9 | 176.7 | -164.7 | -174.3 | 5.4 | 112.7 | V4 V5 F6 L11 L12 | V4-R8 WeakPolarHBondContact O-CB 3.18Å; V4-R8 PolarHBondContact O-N 3.44Å; V4-R8 VanDerWaalsContact O-N 3.11Å; V5-R8 PolarHBondContact O-N 3.49Å; F6-R8 VanDerWaalsContact C-N 3.26Å; F6-R8 PolarHBondContact O-N 3.39Å; R8-L11 WeakPolarHBondContact O-CB 3.49Å; R8-L12 VanDerWaalsContact O-CG 3.29Å; R8-L12 WeakPolarHBondContact O-CG 3.36Å; R8-L12 PolarHBondContact O-N 3.49Å; R8-L12 VanDerWaalsContact O-N 3.17Å |
| 9 | A | 63.9 | Low | 60.5 | Low | 49 Ų | 49 | 102.5 Ų | 102.5 | 41% | 0.405 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.3 | -43.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V5 F6 L11 L12 M13 | V5-A9 WeakPolarHBondContact O-CB 3.43Å; V5-A9 PolarHBondContact O-N 3.29Å; F6-A9 PolarHBondContact O-N 3.1Å; F6-A9 VanDerWaalsContact O-N 3.15Å; A9-L11 VanDerWaalsContact C-N 3.35Å; A9-L11 PolarHBondContact O-N 3.48Å; A9-L12 PolarHBondContact O-N 3.4Å; A9-L12 VanDerWaalsContact O-N 3.11Å; A9-M13 WeakPolarHBondContact O-CG 3.49Å; A9-M13 PolarHBondContact O-N 3.41Å |
| 10 | L | 67.4 | Low | 59.9 | Low | 66 Ų | 66 | 102.2 Ų | 102.2 | 35% | 0.346 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67 | -35.1 | 178.9 | -155.3 | 149.2 | 0 | 0 | 0 | 111.9 | F6 F7 T14 | F6-L10 HydrophobicContact CE1-CD1 3.79Å; F6-L10 HydrophobicContact CZ-CD1 3.92Å; F6-L10 PolarHBondContact O-N 3.23Å; F7-L10 PolarHBondContact O-N 2.79Å; L10-T14 HydrophobicContact CD2-CG2 4.28Å; L10-T14 WeakPolarHBondContact O-CG2 3.41Å; L10-T14 PolarHBondContact O-N 3.07Å; L10-T14 PolarHBondContact O-OG1 3.44Å |
| 11 | L | 63.9 | Low | 59.2 | Low | 67 Ų | 67 | 103 Ų | 103 | 35% | 0.351 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -55.5 | -51 | 165.2 | -110.6 | 83.3 | 0 | 0 | 0 | 112.4 | F7 R8 A9 T14 C15 Y62 | F7-L11 WeakPolarHBondContact O-CB 3.43Å; F7-L11 WeakPolarHBondContact O-CD1 3.43Å; F7-L11 PolarHBondContact O-N 3.1Å; R8-L11 WeakPolarHBondContact O-CB 3.49Å; A9-L11 VanDerWaalsContact C-N 3.35Å; A9-L11 PolarHBondContact O-N 3.48Å; L11-T14 PolarHBondContact O-N 3.04Å; L11-T14 PolarHBondContact O-OG1 2.79Å; L11-C15 WeakPolarHBondContact O-CB 3.32Å; L11-C15 PolarHBondContact O-N 3.36Å; L11-C15 PolarHBondContact O-SG 3.15Å; L11-Y62 HydrophobicContact CD1-CD1 4.31Å; L11-Y62 HydrophobicContact CD1-CE1 3.73Å; L11-Y62 HydrophobicContact CD2-CD1 4.31Å; L11-Y62 HydrophobicContact CD2-CE1 3.74Å; L11-Y62 HydrophobicContact CG-CD1 4.44Å; L11-Y62 HydrophobicContact CG-CE1 3.56Å |
| 12 | L | 71.2 | Confident | 58.9 | Low | 120 Ų | 120 | 100.7 Ų | 100.7 | 63% | 0.628 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.7 | -40.3 | -177.2 | -71.5 | 166.3 | 0 | 0 | 0 | 111.8 | R8 A9 C15 A16 | R8-L12 VanDerWaalsContact O-CG 3.29Å; R8-L12 WeakPolarHBondContact O-CG 3.36Å; R8-L12 PolarHBondContact O-N 3.49Å; R8-L12 VanDerWaalsContact O-N 3.17Å; A9-L12 PolarHBondContact O-N 3.4Å; A9-L12 VanDerWaalsContact O-N 3.11Å; L12-C15 PolarHBondContact O-N 3.48Å; L12-A16 VanDerWaalsContact O-CB 3.31Å; L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 3.25Å |
| 13 | M | 65.8 | Low | 57.9 | Low | 139 Ų | 139 | 98.4 Ų | 98.4 | 69% | 0.685 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.5 | -45.8 | 175.9 | -69.4 | -61.3 | -68.2 | 0 | 0 | 112.2 | A9 C15 A16 Y17 | A9-M13 WeakPolarHBondContact O-CG 3.49Å; A9-M13 PolarHBondContact O-N 3.41Å; M13-C15 PolarHBondContact O-N 3.41Å; M13-A16 PolarHBondContact O-N 3.12Å; M13-Y17 WeakPolarHBondContact O-CB 3.37Å; M13-Y17 PolarHBondContact O-N 3.42Å |
| 14 | T | 61.4 | Low | 57.2 | Low | 75 Ų | 75 | 101.2 Ų | 101.2 | 46% | 0.46 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.6 | -36.9 | 178.5 | 47.4 | 0 | 0 | 0 | 0 | 112.4 | L10 L11 A18 | L10-T14 HydrophobicContact CD2-CG2 4.28Å; L10-T14 WeakPolarHBondContact O-CG2 3.41Å; L10-T14 PolarHBondContact O-N 3.07Å; L10-T14 PolarHBondContact O-OG1 3.44Å; L11-T14 PolarHBondContact O-N 3.04Å; L11-T14 PolarHBondContact O-OG1 2.79Å; T14-A18 WeakPolarHBondContact O-CB 3.33Å; T14-A18 PolarHBondContact O-N 3.16Å |
| 15 | C | 63.6 | Low | 56.4 | Low | 67 Ų | 67 | 101.5 Ų | 101.5 | 45% | 0.453 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -70.4 | -38.3 | 175.5 | -67.1 | 0 | 0 | 0 | 0 | 112.5 | L11 L12 M13 G19 Y62 | L11-C15 WeakPolarHBondContact O-CB 3.32Å; L11-C15 PolarHBondContact O-N 3.36Å; L11-C15 PolarHBondContact O-SG 3.15Å; L12-C15 PolarHBondContact O-N 3.48Å; M13-C15 PolarHBondContact O-N 3.41Å; C15-G19 PolarHBondContact O-N 2.93Å; C15-G19 VanDerWaalsContact O-N 3.12Å; C15-Y62 PolarHBondContact SG-OH 3.4Å; C15-Y62 VanDerWaalsContact SG-OH 3.41Å |
| 16 | A | 57.7 | Low | 55.3 | Low | 56 Ų | 56 | 102.2 Ų | 102.2 | 46% | 0.463 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.1 | -42.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | L12 M13 G19 Q20 | L12-A16 VanDerWaalsContact O-CB 3.31Å; L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 3.25Å; M13-A16 PolarHBondContact O-N 3.12Å; A16-G19 PolarHBondContact O-N 3.31Å; A16-Q20 PolarHBondContact O-N 3.22Å |
| 17 | Y | 51.8 | Low | 54.2 | Low | 163 Ų | 163 | 107.4 Ų | 107.4 | 64% | 0.639 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.6 | -39.2 | 178.4 | -165.8 | -100.7 | 0 | 0 | 0 | 112.5 | M13 Q20 | M13-Y17 WeakPolarHBondContact O-CB 3.37Å; M13-Y17 PolarHBondContact O-N 3.42Å; Y17-Q20 PolarHBondContact O-N 3.23Å |
| 18 | A | 51.1 | Low | 53.4 | Low | 60 Ų | 60 | 111 Ų | 111 | 50% | 0.496 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -60.9 | -45.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T14 Q20 N21 | T14-A18 WeakPolarHBondContact O-CB 3.33Å; T14-A18 PolarHBondContact O-N 3.16Å; A18-Q20 VanDerWaalsContact C-N 3.28Å; A18-Q20 PolarHBondContact O-N 3.39Å; A18-N21 PolarHBondContact O-N 2.92Å |
| 19 | G | 46.5 | Very low | 52 | Low | 45 Ų | 45 | 111 Ų | 111 | 46% | 0.464 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.4 | -20.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | C15 A16 | C15-G19 PolarHBondContact O-N 2.93Å; C15-G19 VanDerWaalsContact O-N 3.12Å; A16-G19 PolarHBondContact O-N 3.31Å |
| 20 | Q | 47.9 | Very low | 50.9 | Low | 95 Ų | 95 | 114.3 Ų | 114.3 | 44% | 0.444 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -74.1 | -34.4 | 176.6 | -74.3 | -177 | -5.6 | 0 | 0 | 112.8 | A16 Y17 A18 E22 T23 I359 | A16-Q20 PolarHBondContact O-N 3.22Å; Y17-Q20 PolarHBondContact O-N 3.23Å; A18-Q20 VanDerWaalsContact C-N 3.28Å; A18-Q20 PolarHBondContact O-N 3.39Å; Q20-E22 VanDerWaalsContact C-N 3.25Å; Q20-E22 PolarHBondContact O-N 2.98Å; Q20-T23 PolarHBondContact O-N 3.07Å; Q20-T23 PolarHBondContact O-OG1 2.85Å; Q20-I359 VanDerWaalsContact NE2-CD1 3.28Å |
| 21 | N | 45.7 | Very low | 49.4 | Very low | 121 Ų | 121 | 116.5 Ų | 116.5 | 65% | 0.647 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -10.5 | -176.1 | -75.5 | -45.7 | 0 | 0 | 0 | 114.3 | A18 T23 | A18-N21 PolarHBondContact O-N 2.92Å; N21-T23 VanDerWaalsContact C-N 3.28Å; N21-T23 PolarHBondContact O-N 3.05Å |
| 22 | E | 43.6 | Very low | 48.1 | Very low | 166 Ų | 166 | 119.1 Ų | 119.1 | 78% | 0.776 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -0.3 | 175.6 | -65.1 | -164.6 | 142.3 | 0 | 0 | 113.8 | Q20 I24 | Q20-E22 VanDerWaalsContact C-N 3.25Å; Q20-E22 PolarHBondContact O-N 2.98Å; E22-I24 PolarHBondContact O-N 3.07Å |
| 23 | T | 40.1 | Very low | 46.7 | Very low | 117 Ų | 117 | 118.5 Ų | 118.5 | 72% | 0.718 | 68% | 0.675 | S | S | * | * | trans | -76.3 | 62.9 | 177.4 | 50.7 | 0 | 0 | 0 | 0 | 113.5 | Q20 N21 P25 | Q20-T23 PolarHBondContact O-N 3.07Å; Q20-T23 PolarHBondContact O-OG1 2.85Å; N21-T23 VanDerWaalsContact C-N 3.28Å; N21-T23 PolarHBondContact O-N 3.05Å; T23-P25 VanDerWaalsContact O-CD 3.29Å; T23-P25 WeakPolarHBondContact O-CD 3.31Å | ||
| 24 | I | 42.5 | Very low | 45.4 | Very low | 151 Ų | 151 | 120.4 Ų | 120.4 | 77% | 0.774 | 68% | 0.682 | S | S | * | * | trans | -63 | 115.6 | 164.9 | -58.5 | 175.6 | 0 | 0 | 0 | 107.9 | E22 | E22-I24 PolarHBondContact O-N 3.07Š| ||
| 25 | P | 43.3 | Very low | 44.3 | Very low | 105 Ų | 105 | 124.4 Ų | 124.4 | 68% | 0.682 | 70% | 0.701 | S | S | * | * | trans | -66.1 | 141.5 | 177.5 | 27.7 | -34 | 0 | 0 | 0 | 110 | T23 R27 | T23-P25 VanDerWaalsContact O-CD 3.29Å; T23-P25 WeakPolarHBondContact O-CD 3.31Å; P25-R27 PolarHBondContact O-N 3.17Å | ||
| 26 | P | 41.2 | Very low | 43.2 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 74% | 0.74 | 72% | 0.716 | S | S | * | * | trans | -60.4 | 131.9 | -177.4 | 24.9 | -34 | 0 | 0 | 0 | 110.5 | T28 | P26-T28 VanDerWaalsContact C-N 3.33Å; P26-T28 PolarHBondContact O-N 3.33Å | ||
| 27 | R | 41.9 | Very low | 42.6 | Very low | 245 Ų | 245 | 134.7 Ų | 134.7 | 93% | 0.925 | 73% | 0.732 | S | S | * | * | trans | -71 | 86.4 | -178.5 | -167 | -176.7 | -161.7 | 173.9 | 5.5 | 109.6 | P25 E29 | P25-R27 PolarHBondContact O-N 3.17Å; R27-E29 PolarHBondContact O-N 3.18Å; R27-E29 VanDerWaalsContact O-N 3.12Å | ||
| 28 | T | 44.2 | Very low | 41.9 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 76% | 0.761 | 74% | 0.74 | S | S | * | * | trans | -62.8 | 111.4 | -176.9 | 36.6 | 0 | 0 | 0 | 0 | 111.6 | P26 S30 | P26-T28 VanDerWaalsContact C-N 3.33Å; P26-T28 PolarHBondContact O-N 3.33Å; T28-S30 PolarHBondContact O-N 2.98Å | ||
| 29 | E | 36.6 | Very low | 41.6 | Very low | 186 Ų | 186 | 144.4 Ų | 144.4 | 87% | 0.869 | 76% | 0.761 | S | S | * | * | trans | -73.6 | 90.2 | 178.3 | -60.9 | -172.2 | 150.8 | 0 | 0 | 110.9 | R27 S31 | R27-E29 PolarHBondContact O-N 3.18Å; R27-E29 VanDerWaalsContact O-N 3.12Å; E29-S31 PolarHBondContact O-N 3.12Å | ||
| 30 | S | 41.9 | Very low | 41.1 | Very low | 119 Ų | 119 | 148.8 Ų | 148.8 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -82.4 | 86.6 | 166.4 | 65.2 | 0 | 0 | 0 | 0 | 109.9 | T28 | T28-S30 PolarHBondContact O-N 2.98Š| ||
| 31 | S | 36 | Very low | 40.9 | Very low | 112 Ų | 112 | 149.7 Ų | 149.7 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | -69.5 | 130.6 | 178 | 48.3 | 0 | 0 | 0 | 0 | 112.5 | E29 | E29-S31 PolarHBondContact O-N 3.12Š| ||
| 32 | C | 36.4 | Very low | 40.3 | Very low | 122 Ų | 122 | 151 Ų | 151 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | -159.5 | 136.8 | 154.1 | -121.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 33 | S | 41.3 | Very low | 40.2 | Very low | 107 Ų | 107 | 150 Ų | 150 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | 41.8 | 99 | 163.4 | 60.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 34 | Q | 37.7 | Very low | 40.1 | Very low | 178 Ų | 178 | 148 Ų | 148 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -23.6 | 139.8 | 141.2 | -58.7 | 153.7 | -60.9 | 0 | 0 | 114.8 | ||||
| 35 | N | 39.1 | Very low | 39.9 | Very low | 160 Ų | 160 | 146.4 Ų | 146.4 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | -159.5 | 163.1 | 104.2 | -104.8 | -21.3 | 0 | 0 | 0 | 112.9 | |||||
| 36 | E | 40.3 | Very low | 39.6 | Very low | 165 Ų | 165 | 147.8 Ų | 147.8 | 77% | 0.771 | 80% | 0.801 | S | S | * | * | trans | -83 | 148.8 | -165 | -51.4 | 177.1 | 113 | 0 | 0 | 113.1 | ||||
| 37 | H | 45.7 | Very low | 39.6 | Very low | 173 Ų | 173 | 149.5 Ų | 149.5 | 80% | 0.801 | 80% | 0.802 | S | S | * | * | -169.3 | 75.1 | 122.3 | -98.4 | -55.1 | 0 | 0 | 0 | 113.2 | W39 | H37-W39 PolarHBondContact O-N 3.21Š| |||
| 38 | K | 37.9 | Very low | 39.3 | Very low | 184 Ų | 184 | 147.1 Ų | 147.1 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | trans | -4.3 | 105.4 | 144.4 | -178.2 | -178.8 | -176.2 | 173.6 | 0 | 115.8 | ||||
| 39 | W | 44.2 | Very low | 39.1 | Very low | 244 Ų | 244 | 146.3 Ų | 146.3 | 92% | 0.924 | 79% | 0.794 | S | S | * | * | trans | -131.1 | 140.3 | 156.4 | -92.6 | 80.5 | 0 | 0 | 0 | 109.7 | H37 | H37-W39 PolarHBondContact O-N 3.21Š| ||
| 40 | N | 36.5 | Very low | 39.2 | Very low | 136 Ų | 136 | 141.9 Ų | 141.9 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -87.1 | 135.6 | -170.7 | -55.3 | -16.8 | 0 | 0 | 0 | 111.5 | ||||
| 41 | S | 43.7 | Very low | 39.3 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | -150.2 | 103.4 | 147.2 | 59.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 42 | D | 32.8 | Very low | 39.8 | Very low | 148 Ų | 148 | 141.7 Ų | 141.7 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | trans | -61.8 | 174.2 | 156.4 | -65.4 | -73.8 | 0 | 0 | 0 | 110.6 | ||||
| 43 | V | 40.2 | Very low | 39.9 | Very low | 147 Ų | 147 | 139.7 Ų | 139.7 | 89% | 0.891 | 75% | 0.748 | S | S | * | * | trans | 90 | 139.9 | 179.3 | -172.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 44 | A | 39.5 | Very low | 39.9 | Very low | 73 Ų | 73 | 138.7 Ų | 138.7 | 60% | 0.603 | 74% | 0.738 | S | S | * | * | trans | 68.1 | 52.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | D46 | A44-D46 PolarHBondContact O-N 3.02Š| ||
| 45 | S | 37.4 | Very low | 40.1 | Very low | 118 Ų | 118 | 141.4 Ų | 141.4 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | trans | -73.7 | 62.6 | 150.8 | 63.6 | 0 | 0 | 0 | 0 | 110.2 | I47 | S45-I47 PolarHBondContact O-N 3.27Å; S45-I47 VanDerWaalsContact O-N 3.08Å | ||
| 46 | D | 38.1 | Very low | 40.5 | Very low | 134 Ų | 134 | 142.7 Ų | 142.7 | 72% | 0.717 | 74% | 0.739 | S | S | * | * | trans | -67.2 | 108.7 | 175.5 | -80.7 | -31.1 | 0 | 0 | 0 | 108.7 | A44 F48 | A44-D46 PolarHBondContact O-N 3.02Å; D46-F48 VanDerWaalsContact C-N 3.29Å; D46-F48 PolarHBondContact O-N 3.37Å | ||
| 47 | I | 40.1 | Very low | 40.9 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 77% | 0.774 | 72% | 0.72 | S | S | * | * | trans | -69.6 | 93.4 | 173.8 | -59.1 | 175.4 | 0 | 0 | 0 | 106.6 | S45 V49 | S45-I47 PolarHBondContact O-N 3.27Å; S45-I47 VanDerWaalsContact O-N 3.08Å; I47-V49 HydrophobicContact CG2-CG2 4.21Å; I47-V49 PolarHBondContact O-N 3.27Å | ||
| 48 | F | 35.4 | Very low | 41.4 | Very low | 194 Ų | 194 | 132.1 Ų | 132.1 | 85% | 0.851 | 70% | 0.702 | S | S | * | * | trans | -65 | 90.3 | 168.3 | -121.5 | -90.8 | 0 | 0 | 0 | 107.9 | D46 D50 | D46-F48 VanDerWaalsContact C-N 3.29Å; D46-F48 PolarHBondContact O-N 3.37Å; F48-D50 PolarHBondContact O-N 3.2Å | ||
| 49 | V | 40 | Very low | 42.1 | Very low | 107 Ų | 107 | 125.6 Ų | 125.6 | 65% | 0.648 | 68% | 0.682 | S | S | * | * | trans | -63 | 108.4 | 170.3 | 177.8 | 0 | 0 | 0 | 0 | 106.2 | I47 P51 | I47-V49 HydrophobicContact CG2-CG2 4.21Å; I47-V49 PolarHBondContact O-N 3.27Å; V49-P51 WeakPolarHBondContact O-CD 3.33Å; V49-P51 VanDerWaalsContact O-N 3.1Å | ||
| 50 | D | 38.7 | Very low | 42.9 | Very low | 93 Ų | 93 | 123.6 Ų | 123.6 | 50% | 0.497 | 68% | 0.675 | S | S | . | * | trans | -55.3 | 116.1 | 177.8 | -170.5 | -28.7 | 0 | 0 | 0 | 108.6 | F48 I52 S53 | F48-D50 PolarHBondContact O-N 3.2Å; D50-I52 PolarHBondContact O-N 2.76Å; D50-I52 VanDerWaalsContact O-N 3.1Å; D50-I52 WeakPolarHBondContact OD1-CB 3.29Å; D50-I52 PolarHBondContact OD1-N 3.12Å; D50-I52 VanDerWaalsContact OD1-N 3.09Å; D50-S53 WeakPolarHBondContact O-CA 3.46Å; D50-S53 WeakPolarHBondContact O-CB 3.42Å; D50-S53 PolarHBondContact O-N 3.3Å | ||
| 51 | P | 43.6 | Very low | 44 | Very low | 92 Ų | 92 | 123.2 Ų | 123.2 | 60% | 0.597 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -65.4 | -16.8 | -173.6 | 26.6 | -34.7 | 0 | 0 | 0 | 112.3 | V49 S53 T54 | V49-P51 WeakPolarHBondContact O-CD 3.33Å; V49-P51 VanDerWaalsContact O-N 3.1Å; P51-S53 VanDerWaalsContact C-N 3.31Å; P51-T54 PolarHBondContact O-OG1 3.43Å |
| 52 | I | 46.4 | Very low | 44.7 | Very low | 135 Ų | 135 | 121.3 Ų | 121.3 | 69% | 0.692 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -78.8 | -19.5 | 174.8 | -55.1 | 176.9 | 0 | 0 | 0 | 110.9 | D50 T54 | D50-I52 PolarHBondContact O-N 2.76Å; D50-I52 VanDerWaalsContact O-N 3.1Å; D50-I52 WeakPolarHBondContact OD1-CB 3.29Å; D50-I52 PolarHBondContact OD1-N 3.12Å; D50-I52 VanDerWaalsContact OD1-N 3.09Å; I52-T54 PolarHBondContact O-N 3.25Å |
| 53 | S | 39.5 | Very low | 46.4 | Very low | 80 Ų | 80 | 119.4 Ų | 119.4 | 56% | 0.559 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -73.8 | 0.5 | 173.5 | -159.9 | 0 | 0 | 0 | 0 | 113.4 | D50 P51 R55 | D50-S53 WeakPolarHBondContact O-CA 3.46Å; D50-S53 WeakPolarHBondContact O-CB 3.42Å; D50-S53 PolarHBondContact O-N 3.3Å; P51-S53 VanDerWaalsContact C-N 3.31Å; S53-R55 PolarHBondContact O-N 3.37Å |
| 54 | T | 41.8 | Very low | 47.9 | Very low | 87 Ų | 87 | 114.4 Ų | 114.4 | 53% | 0.534 | 61% | 0.614 | S | S | . | * | trans | -65.1 | 97.2 | 166.7 | 56.1 | 0 | 0 | 0 | 0 | 109.7 | P51 I52 F56 | P51-T54 PolarHBondContact O-OG1 3.43Å; I52-T54 PolarHBondContact O-N 3.25Å; T54-F56 PolarHBondContact O-N 3.1Å | ||
| 55 | R | 41.9 | Very low | 49.2 | Very low | 234 Ų | 234 | 113.9 Ų | 113.9 | 88% | 0.883 | 60% | 0.601 | S | S | * | * | trans | -67.7 | 66.2 | 173.6 | -65.5 | -177.2 | 177.7 | -173.5 | -2.3 | 111.8 | S53 S57 | S53-R55 PolarHBondContact O-N 3.37Å; R55-S57 PolarHBondContact O-N 3.46Å | ||
| 56 | F | 46.8 | Very low | 50.8 | Low | 188 Ų | 188 | 111.9 Ų | 111.9 | 83% | 0.825 | 58% | 0.583 | S | S | * | * | trans | -62.1 | 77.1 | 146.8 | -86 | -82 | 0 | 0 | 0 | 107.2 | T54 S58 | T54-F56 PolarHBondContact O-N 3.1Å; F56-S58 PolarHBondContact O-N 3.5Å; F56-S58 VanDerWaalsContact O-N 3.15Å | ||
| 57 | S | 49.5 | Very low | 52.4 | Low | 56 Ų | 56 | 110 Ų | 110 | 39% | 0.392 | 57% | 0.573 | S | S | . | * | trans | -55.8 | 124.3 | -179.7 | -176.5 | 0 | 0 | 0 | 0 | 107.8 | R55 A59 W60 | R55-S57 PolarHBondContact O-N 3.46Å; S57-A59 PolarHBondContact O-N 3.35Å; S57-A59 WeakPolarHBondContact OG-CB 3.16Å; S57-W60 PolarHBondContact O-N 2.95Å | ||
| 58 | S | 54.8 | Low | 53.7 | Low | 59 Ų | 59 | 106.4 Ų | 106.4 | 41% | 0.413 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -53.9 | -25 | 176.8 | 50 | 0 | 0 | 0 | 0 | 111.6 | F56 W60 L61 Y62 | F56-S58 PolarHBondContact O-N 3.5Å; F56-S58 VanDerWaalsContact O-N 3.15Å; S58-W60 VanDerWaalsContact C-N 3.26Å; S58-W60 PolarHBondContact O-N 3.38Å; S58-L61 PolarHBondContact O-N 3.24Å; S58-L61 VanDerWaalsContact O-N 3.11Å; S58-Y62 VanDerWaalsContact O-CD2 3.26Å; S58-Y62 WeakPolarHBondContact O-CD2 3.45Å; S58-Y62 PolarHBondContact O-N 3.08Å |
| 59 | A | 52.4 | Low | 55.3 | Low | 47 Ų | 47 | 100.1 Ų | 100.1 | 39% | 0.388 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -51.6 | -34.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S57 M63 | S57-A59 PolarHBondContact O-N 3.35Å; S57-A59 WeakPolarHBondContact OG-CB 3.16Å; A59-M63 VanDerWaalsContact O-CB 3.32Å; A59-M63 WeakPolarHBondContact O-CB 3.37Å; A59-M63 WeakPolarHBondContact O-CG 3.44Å; A59-M63 PolarHBondContact O-N 3.32Å |
| 60 | W | 62.3 | Low | 56.8 | Low | 203 Ų | 203 | 100 Ų | 100 | 77% | 0.769 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.6 | -40.5 | 176.2 | -76.6 | 108.7 | 0 | 0 | 0 | 112.1 | S57 S58 G64 | S57-W60 PolarHBondContact O-N 2.95Å; S58-W60 VanDerWaalsContact C-N 3.26Å; S58-W60 PolarHBondContact O-N 3.38Å; W60-G64 PolarHBondContact O-N 2.89Å |
| 61 | L | 59.6 | Low | 58.2 | Low | 127 Ų | 127 | 100 Ų | 100 | 67% | 0.665 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.2 | -40.5 | 173.6 | -68.6 | 171.8 | 0 | 0 | 0 | 111 | S58 G64 L65 | S58-L61 PolarHBondContact O-N 3.24Å; S58-L61 VanDerWaalsContact O-N 3.11Å; L61-G64 PolarHBondContact O-N 3.26Å; L61-L65 VanDerWaalsContact O-CB 3.26Å; L61-L65 WeakPolarHBondContact O-CB 3.2Å; L61-L65 PolarHBondContact O-N 3.01Å |
| 62 | Y | 58.5 | Low | 59.2 | Low | 75 Ų | 75 | 97.2 Ų | 97.2 | 29% | 0.294 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 175.6 | -61.9 | -33.2 | 0 | 0 | 0 | 112.5 | L11 C15 S58 L65 V66 | L11-Y62 HydrophobicContact CD1-CD1 4.31Å; L11-Y62 HydrophobicContact CD1-CE1 3.73Å; L11-Y62 HydrophobicContact CD2-CD1 4.31Å; L11-Y62 HydrophobicContact CD2-CE1 3.74Å; L11-Y62 HydrophobicContact CG-CD1 4.44Å; L11-Y62 HydrophobicContact CG-CE1 3.56Å; C15-Y62 PolarHBondContact SG-OH 3.4Å; C15-Y62 VanDerWaalsContact SG-OH 3.41Å; S58-Y62 VanDerWaalsContact O-CD2 3.26Å; S58-Y62 WeakPolarHBondContact O-CD2 3.45Å; S58-Y62 PolarHBondContact O-N 3.08Å; Y62-L65 PolarHBondContact O-N 3.19Å; Y62-V66 WeakPolarHBondContact O-CB 3.32Å; Y62-V66 VanDerWaalsContact O-CG2 3.27Å; Y62-V66 WeakPolarHBondContact O-CG2 3.36Å; Y62-V66 PolarHBondContact O-N 3.07Å |
| 63 | M | 67.6 | Low | 60.3 | Low | 108 Ų | 108 | 97.2 Ų | 97.2 | 53% | 0.532 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.9 | -47 | 175.6 | -73.4 | -61.5 | -54.8 | 0 | 0 | 111.1 | A59 L65 V66 D67 | A59-M63 VanDerWaalsContact O-CB 3.32Å; A59-M63 WeakPolarHBondContact O-CB 3.37Å; A59-M63 WeakPolarHBondContact O-CG 3.44Å; A59-M63 PolarHBondContact O-N 3.32Å; M63-L65 VanDerWaalsContact C-N 3.34Å; M63-L65 PolarHBondContact O-N 2.84Å; M63-V66 PolarHBondContact O-N 3.05Å; M63-D67 WeakPolarHBondContact O-CB 3.16Å; M63-D67 PolarHBondContact O-N 2.77Å |
| 64 | G | 72.3 | Confident | 61.8 | Low | 42 Ų | 42 | 96.6 Ų | 96.6 | 43% | 0.433 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.4 | -37.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | W60 L61 L68 | W60-G64 PolarHBondContact O-N 2.89Å; L61-G64 PolarHBondContact O-N 3.26Å; G64-L68 VanDerWaalsContact O-CB 3.25Å; G64-L68 WeakPolarHBondContact O-CB 3.46Å; G64-L68 PolarHBondContact O-N 3.32Å |
| 65 | L | 65.9 | Low | 63.3 | Low | 62 Ų | 62 | 96.7 Ų | 96.7 | 33% | 0.325 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -75.2 | -33.1 | 177.7 | -169.2 | 137.2 | 0 | 0 | 0 | 112.3 | F7 L61 Y62 M63 M69 | F7-L65 HydrophobicContact CE1-CD1 4.39Å; L61-L65 VanDerWaalsContact O-CB 3.26Å; L61-L65 WeakPolarHBondContact O-CB 3.2Å; L61-L65 PolarHBondContact O-N 3.01Å; Y62-L65 PolarHBondContact O-N 3.19Å; M63-L65 VanDerWaalsContact C-N 3.34Å; M63-L65 PolarHBondContact O-N 2.84Å; L65-M69 HydrophobicContact CD2-CG 4.32Å; L65-M69 WeakPolarHBondContact O-CB 3.35Å; L65-M69 WeakPolarHBondContact O-CG 3.15Å; L65-M69 PolarHBondContact O-N 3.19Å |
| 66 | V | 71.5 | Confident | 64.4 | Low | 75 Ų | 75 | 90.1 Ų | 90.1 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.6 | -49.5 | 171.9 | 169.6 | 0 | 0 | 0 | 0 | 111 | Y62 M63 L68 M69 D70 | Y62-V66 WeakPolarHBondContact O-CB 3.32Å; Y62-V66 VanDerWaalsContact O-CG2 3.27Å; Y62-V66 WeakPolarHBondContact O-CG2 3.36Å; Y62-V66 PolarHBondContact O-N 3.07Å; M63-V66 PolarHBondContact O-N 3.05Å; V66-L68 PolarHBondContact O-N 2.99Å; V66-M69 PolarHBondContact O-N 2.87Å; V66-D70 PolarHBondContact O-N 3.26Å |
| 67 | D | 72.2 | Confident | 65.2 | Low | 95 Ų | 95 | 84.6 Ų | 84.6 | 51% | 0.508 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.8 | -36.7 | 176.9 | -77.1 | -15.3 | 0 | 0 | 0 | 111.7 | M63 T71 | M63-D67 WeakPolarHBondContact O-CB 3.16Å; M63-D67 PolarHBondContact O-N 2.77Å; D67-T71 VanDerWaalsContact O-CB 3.29Å; D67-T71 WeakPolarHBondContact O-CB 3.49Å; D67-T71 PolarHBondContact O-N 3.22Å; D67-T71 PolarHBondContact O-OG1 2.82Å |
| 68 | L | 67.6 | Low | 66.2 | Low | 75 Ų | 75 | 89.3 Ų | 89.3 | 39% | 0.393 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.2 | -46.6 | 173.2 | -178.4 | 65.2 | 0 | 0 | 0 | 111.8 | G64 V66 T71 V72 | G64-L68 VanDerWaalsContact O-CB 3.25Å; G64-L68 WeakPolarHBondContact O-CB 3.46Å; G64-L68 PolarHBondContact O-N 3.32Å; V66-L68 PolarHBondContact O-N 2.99Å; L68-T71 PolarHBondContact O-N 3.05Å; L68-V72 VanDerWaalsContact O-CB 3.31Å; L68-V72 WeakPolarHBondContact O-CB 3.47Å; L68-V72 WeakPolarHBondContact O-CG2 3.2Å; L68-V72 PolarHBondContact O-N 3.03Å |
| 69 | M | 69 | Low | 67 | Low | 63 Ų | 63 | 86.8 Ų | 86.8 | 31% | 0.31 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.4 | -39.4 | -179.3 | -71.6 | -73.7 | -97.8 | 0 | 0 | 112.4 | L65 V66 V72 I73 | L65-M69 HydrophobicContact CD2-CG 4.32Å; L65-M69 WeakPolarHBondContact O-CB 3.35Å; L65-M69 WeakPolarHBondContact O-CG 3.15Å; L65-M69 PolarHBondContact O-N 3.19Å; V66-M69 PolarHBondContact O-N 2.87Å; M69-V72 WeakPolarHBondContact O-CB 3.49Å; M69-V72 PolarHBondContact O-N 3.42Å; M69-I73 WeakPolarHBondContact O-CD1 3.21Å; M69-I73 VanDerWaalsContact O-CG1 3.25Å; M69-I73 WeakPolarHBondContact O-CG1 3.46Å; M69-I73 PolarHBondContact O-N 3.06Å |
| 70 | D | 70.7 | Confident | 68.1 | Low | 103 Ų | 103 | 89.9 Ų | 89.9 | 55% | 0.551 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67 | -38.1 | 173.8 | -82.1 | -5.4 | 0 | 0 | 0 | 111.6 | V66 V72 I73 G74 | V66-D70 PolarHBondContact O-N 3.26Å; D70-V72 VanDerWaalsContact C-N 3.34Å; D70-I73 PolarHBondContact O-N 2.96Å; D70-G74 PolarHBondContact O-N 3.15Å; D70-G74 VanDerWaalsContact O-N 3.11Å |
| 71 | T | 68.4 | Low | 69 | Low | 94 Ų | 94 | 82.4 Ų | 82.4 | 58% | 0.577 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63 | -42.1 | 172.7 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | D67 L68 G74 M75 | D67-T71 VanDerWaalsContact O-CB 3.29Å; D67-T71 WeakPolarHBondContact O-CB 3.49Å; D67-T71 PolarHBondContact O-N 3.22Å; D67-T71 PolarHBondContact O-OG1 2.82Å; L68-T71 PolarHBondContact O-N 3.05Å; T71-G74 PolarHBondContact O-N 2.9Å; T71-M75 WeakPolarHBondContact O-CG 3.26Å |
| 72 | V | 65.3 | Low | 69.9 | Low | 34 Ų | 34 | 81.7 Ų | 81.7 | 21% | 0.206 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 175.1 | 148.3 | 0 | 0 | 0 | 0 | 111.7 | L68 M69 D70 G74 M75 L83 | L68-V72 VanDerWaalsContact O-CB 3.31Å; L68-V72 WeakPolarHBondContact O-CB 3.47Å; L68-V72 WeakPolarHBondContact O-CG2 3.2Å; L68-V72 PolarHBondContact O-N 3.03Å; M69-V72 WeakPolarHBondContact O-CB 3.49Å; M69-V72 PolarHBondContact O-N 3.42Å; D70-V72 VanDerWaalsContact C-N 3.34Å; V72-G74 PolarHBondContact O-N 2.93Å; V72-M75 PolarHBondContact O-N 3.34Å; V72-L83 HydrophobicContact CB-CD1 4.05Å; V72-L83 HydrophobicContact CB-CG 4.49Å; V72-L83 HydrophobicContact CG1-CD1 3.87Å; V72-L83 HydrophobicContact CG1-CD2 3.97Å; V72-L83 HydrophobicContact CG1-CG 3.86Å; V72-L83 HydrophobicContact CG2-CD1 3.95Å; V72-L83 HydrophobicContact CG2-CG 4.32Å; V72-L83 WeakPolarHBondContact O-CD1 3.26Å |
| 73 | I | 67.9 | Low | 70.9 | Confident | 134 Ų | 134 | 80.6 Ų | 80.6 | 69% | 0.687 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.9 | -28.4 | 178.7 | -70.1 | 162.4 | 0 | 0 | 0 | 111.8 | M69 D70 M75 | M69-I73 WeakPolarHBondContact O-CD1 3.21Å; M69-I73 VanDerWaalsContact O-CG1 3.25Å; M69-I73 WeakPolarHBondContact O-CG1 3.46Å; M69-I73 PolarHBondContact O-N 3.06Å; D70-I73 PolarHBondContact O-N 2.96Å; I73-M75 VanDerWaalsContact C-N 3.29Å; I73-M75 PolarHBondContact O-N 2.98Å |
| 74 | G | 72.6 | Confident | 71.6 | Confident | 67 Ų | 67 | 83.7 Ų | 83.7 | 69% | 0.691 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -6.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | D70 T71 V72 | D70-G74 PolarHBondContact O-N 3.15Å; D70-G74 VanDerWaalsContact O-N 3.11Å; T71-G74 PolarHBondContact O-N 2.9Å; V72-G74 PolarHBondContact O-N 2.93Å |
| 75 | M | 71.4 | Confident | 72 | Confident | 89 Ų | 89 | 87 Ų | 87 | 44% | 0.438 | 50% | 0.496 | S | S | . | . | trans | -93.4 | 126.2 | -175.9 | -57.7 | -168.6 | 80 | 0 | 0 | 112.2 | T71 V72 I73 M82 L83 | T71-M75 WeakPolarHBondContact O-CG 3.26Å; V72-M75 PolarHBondContact O-N 3.34Å; I73-M75 VanDerWaalsContact C-N 3.29Å; I73-M75 PolarHBondContact O-N 2.98Å; M75-M82 HydrophobicContact CE-CE 3.61Å; M75-L83 HydrophobicContact CB-CD1 4.38Å; M75-L83 HydrophobicContact SD-CD1 4.33Å | ||
| 76 | S | 66.8 | Low | 72.9 | Confident | 97 Ų | 97 | 86.3 Ų | 86.3 | 68% | 0.678 | 50% | 0.499 | S | S | * | . | trans | -68.3 | 172.6 | 177 | 63.2 | 0 | 0 | 0 | 0 | 112.6 | N78 G79 | S76-N78 VanDerWaalsContact C-N 3.28Å; S76-N78 PolarHBondContact O-N 3.01Å; S76-G79 WeakPolarHBondContact O-CA 3.34Å; S76-G79 PolarHBondContact O-N 3.32Å | ||
| 77 | A | 63.4 | Low | 73.5 | Confident | 72 Ų | 72 | 87.5 Ų | 87.5 | 60% | 0.595 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -49.2 | -35.9 | -166.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | G79 I80 | A77-G79 PolarHBondContact O-N 2.88Å; A77-G79 VanDerWaalsContact O-N 3.16Å; A77-I80 HydrophobicContact CB-CD1 4.4Å; A77-I80 WeakPolarHBondContact O-CB 3.38Å; A77-I80 WeakPolarHBondContact O-CD1 3.38Å; A77-I80 VanDerWaalsContact O-CG1 3.24Å; A77-I80 WeakPolarHBondContact O-CG1 3.39Å; A77-I80 PolarHBondContact O-N 3.12Å; A77-I80 VanDerWaalsContact O-N 3.08Å |
| 78 | N | 69 | Low | 74.1 | Confident | 155 Ų | 155 | 86.9 Ų | 86.9 | 83% | 0.829 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -63.8 | -20.2 | 175.9 | -66.7 | 4.3 | 0 | 0 | 0 | 112.9 | S76 I80 | S76-N78 VanDerWaalsContact C-N 3.28Å; S76-N78 PolarHBondContact O-N 3.01Å; N78-I80 VanDerWaalsContact C-N 3.33Å |
| 79 | G | 71.7 | Confident | 75 | Confident | 5 Ų | 5 | 86.7 Ų | 86.7 | 5% | 0.052 | 50% | 0.497 | C | S | . | . | G | 310 helix | trans | -72.6 | -15.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S76 A77 G81 M82 L83 | S76-G79 WeakPolarHBondContact O-CA 3.34Å; S76-G79 PolarHBondContact O-N 3.32Å; A77-G79 PolarHBondContact O-N 2.88Å; A77-G79 VanDerWaalsContact O-N 3.16Å; G79-G81 VanDerWaalsContact C-N 3.25Å; G79-G81 PolarHBondContact O-N 3.48Å; G79-M82 CarbonylContact O-C 3.54Å; G79-M82 WeakPolarHBondContact O-CA 3.45Å; G79-M82 WeakPolarHBondContact O-CB 3.46Å; G79-M82 PolarHBondContact O-N 3.43Å; G79-L83 WeakPolarHBondContact O-CB 3.35Å; G79-L83 PolarHBondContact O-N 3.3Å |
| 80 | I | 76.7 | Confident | 75.9 | Confident | 113 Ų | 113 | 85.4 Ų | 85.4 | 58% | 0.579 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -56.3 | -38.2 | -175.9 | -66.9 | 167.6 | 0 | 0 | 0 | 112.1 | A77 N78 L83 R84 | A77-I80 HydrophobicContact CB-CD1 4.4Å; A77-I80 WeakPolarHBondContact O-CB 3.38Å; A77-I80 WeakPolarHBondContact O-CD1 3.38Å; A77-I80 VanDerWaalsContact O-CG1 3.24Å; A77-I80 WeakPolarHBondContact O-CG1 3.39Å; A77-I80 PolarHBondContact O-N 3.12Å; A77-I80 VanDerWaalsContact O-N 3.08Å; N78-I80 VanDerWaalsContact C-N 3.33Å; I80-L83 VanDerWaalsContact O-CB 3.25Å; I80-L83 WeakPolarHBondContact O-CB 3.26Å; I80-L83 PolarHBondContact O-N 3.21Å; I80-R84 PolarHBondContact O-N 3.31Å |
| 81 | G | 80.3 | Confident | 76.7 | Confident | 45 Ų | 45 | 83.5 Ų | 83.5 | 46% | 0.464 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.4 | -40.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G79 L83 R84 N85 | G79-G81 VanDerWaalsContact C-N 3.25Å; G79-G81 PolarHBondContact O-N 3.48Å; G81-L83 VanDerWaalsContact C-N 3.35Å; G81-R84 PolarHBondContact O-N 3.16Å; G81-N85 PolarHBondContact O-N 3.23Å |
| 82 | M | 78.6 | Confident | 77.7 | Confident | 113 Ų | 113 | 82.4 Ų | 82.4 | 56% | 0.557 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -68.3 | -35.8 | 173.3 | -67.7 | -171.8 | -73.5 | 0 | 0 | 111.5 | M75 G79 N85 A86 | M75-M82 HydrophobicContact CE-CE 3.61Å; G79-M82 CarbonylContact O-C 3.54Å; G79-M82 WeakPolarHBondContact O-CA 3.45Å; G79-M82 WeakPolarHBondContact O-CB 3.46Å; G79-M82 PolarHBondContact O-N 3.43Å; M82-N85 PolarHBondContact O-N 3.41Å; M82-A86 VanDerWaalsContact O-CB 3.24Å; M82-A86 WeakPolarHBondContact O-CB 3.05Å; M82-A86 PolarHBondContact O-N 2.87Å |
| 83 | L | 80.2 | Confident | 78.8 | Confident | 52 Ų | 52 | 84.4 Ų | 84.4 | 27% | 0.272 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.8 | -50.5 | 173.4 | -126.8 | 72.2 | 0 | 0 | 0 | 111.4 | V72 M75 G79 I80 G81 N85 A86 Y87 | V72-L83 HydrophobicContact CB-CD1 4.05Å; V72-L83 HydrophobicContact CB-CG 4.49Å; V72-L83 HydrophobicContact CG1-CD1 3.87Å; V72-L83 HydrophobicContact CG1-CD2 3.97Å; V72-L83 HydrophobicContact CG1-CG 3.86Å; V72-L83 HydrophobicContact CG2-CD1 3.95Å; V72-L83 HydrophobicContact CG2-CG 4.32Å; V72-L83 WeakPolarHBondContact O-CD1 3.26Å; M75-L83 HydrophobicContact CB-CD1 4.38Å; M75-L83 HydrophobicContact SD-CD1 4.33Å; G79-L83 WeakPolarHBondContact O-CB 3.35Å; G79-L83 PolarHBondContact O-N 3.3Å; I80-L83 VanDerWaalsContact O-CB 3.25Å; I80-L83 WeakPolarHBondContact O-CB 3.26Å; I80-L83 PolarHBondContact O-N 3.21Å; G81-L83 VanDerWaalsContact C-N 3.35Å; L83-N85 VanDerWaalsContact C-N 3.33Å; L83-N85 PolarHBondContact O-N 3.31Å; L83-A86 PolarHBondContact O-N 3.34Å; L83-Y87 WeakPolarHBondContact O-CB 3.47Å; L83-Y87 PolarHBondContact O-N 3.22Å |
| 84 | R | 81.9 | Confident | 79.8 | Confident | 172 Ų | 172 | 80.5 Ų | 80.5 | 65% | 0.649 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60 | -44.6 | 178.8 | -173.9 | 176.9 | -178.2 | 173.3 | 3.2 | 111 | I80 G81 Y87 I88 | I80-R84 PolarHBondContact O-N 3.31Å; G81-R84 PolarHBondContact O-N 3.16Å; R84-Y87 PolarHBondContact O-N 2.94Å; R84-I88 HydrophobicContact CG-CD1 3.89Å; R84-I88 WeakPolarHBondContact O-CB 3.47Å; R84-I88 WeakPolarHBondContact O-CD1 3.4Å; R84-I88 VanDerWaalsContact O-CG1 3.23Å; R84-I88 WeakPolarHBondContact O-CG1 3.42Å; R84-I88 PolarHBondContact O-N 2.93Å |
| 85 | N | 81.8 | Confident | 80.6 | Confident | 111 Ų | 111 | 82.4 Ų | 82.4 | 59% | 0.594 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -69.7 | -39.5 | 179.6 | -68.3 | -2.1 | 0 | 0 | 0 | 112.3 | G81 M82 L83 S89 | G81-N85 PolarHBondContact O-N 3.23Å; M82-N85 PolarHBondContact O-N 3.41Å; L83-N85 VanDerWaalsContact C-N 3.33Å; L83-N85 PolarHBondContact O-N 3.31Å; N85-S89 VanDerWaalsContact O-CB 3.25Å; N85-S89 WeakPolarHBondContact O-CB 3.41Å; N85-S89 PolarHBondContact O-N 3.47Å |
| 86 | A | 84.3 | Confident | 81.6 | Confident | 48 Ų | 48 | 83.1 Ų | 83.1 | 40% | 0.397 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.7 | -39.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | M82 L83 S89 C90 | M82-A86 VanDerWaalsContact O-CB 3.24Å; M82-A86 WeakPolarHBondContact O-CB 3.05Å; M82-A86 PolarHBondContact O-N 2.87Å; L83-A86 PolarHBondContact O-N 3.34Å; A86-S89 PolarHBondContact O-N 2.99Å; A86-C90 VanDerWaalsContact O-CB 3.25Å; A86-C90 WeakPolarHBondContact O-CB 3.48Å; A86-C90 PolarHBondContact O-N 3.28Å |
| 87 | Y | 83.1 | Confident | 82.8 | Confident | 101 Ų | 101 | 82.9 Ų | 82.9 | 40% | 0.396 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.2 | -46.1 | 176.3 | -179 | -108.4 | 0 | 0 | 0 | 112 | L83 R84 S89 C90 L91 | L83-Y87 WeakPolarHBondContact O-CB 3.47Å; L83-Y87 PolarHBondContact O-N 3.22Å; R84-Y87 PolarHBondContact O-N 2.94Å; Y87-S89 VanDerWaalsContact C-N 3.35Å; Y87-S89 PolarHBondContact O-N 2.61Å; Y87-C90 PolarHBondContact O-N 3Å; Y87-L91 HydrophobicContact CD1-CD1 4.05Å; Y87-L91 HydrophobicContact CE1-CD1 3.49Å; Y87-L91 VanDerWaalsContact CE1-CD1 3.49Å; Y87-L91 HydrophobicContact CE1-CG 4.2Å; Y87-L91 HydrophobicContact CE2-CD1 4.46Å; Y87-L91 HydrophobicContact CE2-CG 4.36Å; Y87-L91 WeakPolarHBondContact O-CG 3.33Å; Y87-L91 PolarHBondContact O-N 3.23Å |
| 88 | I | 84.5 | Confident | 84.2 | Confident | 82 Ų | 82 | 83.7 Ų | 83.7 | 42% | 0.421 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.6 | -46.6 | 173.6 | -69.6 | 166.3 | 0 | 0 | 0 | 110.1 | R84 C90 L91 C92 | R84-I88 HydrophobicContact CG-CD1 3.89Å; R84-I88 WeakPolarHBondContact O-CB 3.47Å; R84-I88 WeakPolarHBondContact O-CD1 3.4Å; R84-I88 VanDerWaalsContact O-CG1 3.23Å; R84-I88 WeakPolarHBondContact O-CG1 3.42Å; R84-I88 PolarHBondContact O-N 2.93Å; I88-C90 PolarHBondContact O-N 2.93Å; I88-L91 PolarHBondContact O-N 2.89Å; I88-C92 WeakPolarHBondContact O-CB 3.31Å; I88-C92 PolarHBondContact O-N 3.1Å; I88-C92 PolarHBondContact O-SG 3.46Å |
| 89 | S | 86.6 | Confident | 85.2 | Confident | 71 Ų | 71 | 81.1 Ų | 81.1 | 50% | 0.497 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -58.7 | -44.3 | 175.9 | -174.7 | 0 | 0 | 0 | 0 | 112.3 | N85 A86 Y87 C92 V93 | N85-S89 VanDerWaalsContact O-CB 3.25Å; N85-S89 WeakPolarHBondContact O-CB 3.41Å; N85-S89 PolarHBondContact O-N 3.47Å; A86-S89 PolarHBondContact O-N 2.99Å; Y87-S89 VanDerWaalsContact C-N 3.35Å; Y87-S89 PolarHBondContact O-N 2.61Å; S89-C92 PolarHBondContact O-N 2.94Å; S89-V93 WeakPolarHBondContact O-CG2 3.36Å; S89-V93 PolarHBondContact O-N 3.46Å |
| 90 | C | 89.6 | Confident | 86.2 | Confident | 35 Ų | 35 | 85.9 Ų | 85.9 | 24% | 0.236 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 176.5 | -176.5 | 0 | 0 | 0 | 0 | 112.4 | A86 Y87 I88 V93 T94 | A86-C90 VanDerWaalsContact O-CB 3.25Å; A86-C90 WeakPolarHBondContact O-CB 3.48Å; A86-C90 PolarHBondContact O-N 3.28Å; Y87-C90 PolarHBondContact O-N 3Å; I88-C90 PolarHBondContact O-N 2.93Å; C90-V93 PolarHBondContact O-N 2.8Å; C90-T94 WeakPolarHBondContact O-CB 3.42Å; C90-T94 PolarHBondContact O-N 3.28Å; C90-T94 PolarHBondContact O-OG1 3.34Å |
| 91 | L | 87.4 | Confident | 86.9 | Confident | 64 Ų | 64 | 86 Ų | 86 | 34% | 0.335 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.7 | -45.1 | 173.6 | -72 | -179.8 | 0 | 0 | 0 | 111.6 | Y87 I88 V93 T94 L95 | Y87-L91 HydrophobicContact CD1-CD1 4.05Å; Y87-L91 HydrophobicContact CE1-CD1 3.49Å; Y87-L91 VanDerWaalsContact CE1-CD1 3.49Å; Y87-L91 HydrophobicContact CE1-CG 4.2Å; Y87-L91 HydrophobicContact CE2-CD1 4.46Å; Y87-L91 HydrophobicContact CE2-CG 4.36Å; Y87-L91 WeakPolarHBondContact O-CG 3.33Å; Y87-L91 PolarHBondContact O-N 3.23Å; I88-L91 PolarHBondContact O-N 2.89Å; L91-V93 VanDerWaalsContact C-N 3.35Å; L91-V93 PolarHBondContact O-N 3.38Å; L91-T94 PolarHBondContact O-N 3.1Å; L91-L95 WeakPolarHBondContact O-CB 3.44Å; L91-L95 WeakPolarHBondContact O-CG 3.39Å; L91-L95 PolarHBondContact O-N 2.83Å |
| 92 | C | 88.1 | Confident | 87.5 | Confident | 70 Ų | 70 | 89.7 Ų | 89.7 | 47% | 0.473 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 176.8 | -70 | 0 | 0 | 0 | 0 | 112.1 | I88 S89 L96 | I88-C92 WeakPolarHBondContact O-CB 3.31Å; I88-C92 PolarHBondContact O-N 3.1Å; I88-C92 PolarHBondContact O-SG 3.46Å; S89-C92 PolarHBondContact O-N 2.94Å; C92-L96 WeakPolarHBondContact O-CB 3.38Å; C92-L96 PolarHBondContact O-N 3.22Å |
| 93 | V | 89.5 | Confident | 88.1 | Confident | 77 Ų | 77 | 86.7 Ų | 86.7 | 47% | 0.467 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.6 | -40 | 174.8 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | S89 C90 L91 L96 L97 | S89-V93 WeakPolarHBondContact O-CG2 3.36Å; S89-V93 PolarHBondContact O-N 3.46Å; C90-V93 PolarHBondContact O-N 2.8Å; L91-V93 VanDerWaalsContact C-N 3.35Å; L91-V93 PolarHBondContact O-N 3.38Å; V93-L96 PolarHBondContact O-N 3.37Å; V93-L97 HydrophobicContact CG1-CD1 4.09Å; V93-L97 WeakPolarHBondContact O-CG 3.49Å; V93-L97 PolarHBondContact O-N 3.17Å |
| 94 | T | 88.4 | Confident | 88.7 | Confident | 51 Ų | 51 | 88.6 Ų | 88.6 | 31% | 0.313 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.8 | -47.8 | 177.5 | -54.6 | 0 | 0 | 0 | 0 | 111 | C90 L91 L96 L97 E98 | C90-T94 WeakPolarHBondContact O-CB 3.42Å; C90-T94 PolarHBondContact O-N 3.28Å; C90-T94 PolarHBondContact O-OG1 3.34Å; L91-T94 PolarHBondContact O-N 3.1Å; T94-L96 VanDerWaalsContact C-N 3.32Å; T94-L96 PolarHBondContact O-N 3.43Å; T94-L97 PolarHBondContact O-N 3.35Å; T94-L97 VanDerWaalsContact O-N 3.13Å; T94-E98 WeakPolarHBondContact O-CG 3.5Å; T94-E98 PolarHBondContact O-N 3.34Å |
| 95 | L | 90.2 | Very high | 89.3 | Confident | 108 Ų | 108 | 85 Ų | 85 | 57% | 0.565 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.8 | -35.5 | 176.4 | -68.6 | 168.6 | 0 | 0 | 0 | 112.2 | L91 E98 L99 | L91-L95 WeakPolarHBondContact O-CB 3.44Å; L91-L95 WeakPolarHBondContact O-CG 3.39Å; L91-L95 PolarHBondContact O-N 2.83Å; L95-E98 PolarHBondContact O-N 3.4Å; L95-L99 VanDerWaalsContact O-CB 3.26Å; L95-L99 WeakPolarHBondContact O-CB 3.43Å; L95-L99 PolarHBondContact O-N 2.8Å |
| 96 | L | 90.9 | Very high | 89.9 | Confident | 103 Ų | 103 | 83.3 Ų | 83.3 | 54% | 0.539 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 171.8 | -100.5 | 163.6 | 0 | 0 | 0 | 112.3 | C92 V93 T94 L100 | C92-L96 WeakPolarHBondContact O-CB 3.38Å; C92-L96 PolarHBondContact O-N 3.22Å; V93-L96 PolarHBondContact O-N 3.37Å; T94-L96 VanDerWaalsContact C-N 3.32Å; T94-L96 PolarHBondContact O-N 3.43Å; L96-L100 WeakPolarHBondContact O-CB 3.12Å; L96-L100 WeakPolarHBondContact O-CG 3.37Å; L96-L100 PolarHBondContact O-N 3.25Å |
| 97 | L | 91.7 | Very high | 90.3 | Very high | 92 Ų | 92 | 83.4 Ų | 83.4 | 48% | 0.482 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.9 | -41.5 | 176.4 | -72.2 | 168.6 | 0 | 0 | 0 | 111.8 | V93 T94 L100 L101 | V93-L97 HydrophobicContact CG1-CD1 4.09Å; V93-L97 WeakPolarHBondContact O-CG 3.49Å; V93-L97 PolarHBondContact O-N 3.17Å; T94-L97 PolarHBondContact O-N 3.35Å; T94-L97 VanDerWaalsContact O-N 3.13Å; L97-L100 PolarHBondContact O-N 2.97Å; L97-L101 WeakPolarHBondContact O-CB 3.46Å; L97-L101 VanDerWaalsContact O-CG 3.26Å; L97-L101 WeakPolarHBondContact O-CG 3.42Å; L97-L101 PolarHBondContact O-N 3.09Å |
| 98 | E | 92.9 | Very high | 90.8 | Very high | 90 Ų | 90 | 84.3 Ų | 84.3 | 42% | 0.421 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 174.2 | -72.2 | 179.4 | 167.5 | 0 | 0 | 111.7 | T94 L95 L101 F102 | T94-E98 WeakPolarHBondContact O-CG 3.5Å; T94-E98 PolarHBondContact O-N 3.34Å; L95-E98 PolarHBondContact O-N 3.4Å; E98-L101 PolarHBondContact O-N 2.9Å; E98-F102 WeakPolarHBondContact O-CB 3.33Å; E98-F102 PolarHBondContact O-N 3.13Å |
| 99 | L | 90.8 | Very high | 91.2 | Very high | 101 Ų | 101 | 88.3 Ų | 88.3 | 53% | 0.529 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 174.9 | -176.4 | 63.7 | 0 | 0 | 0 | 112 | L95 F102 C103 | L95-L99 VanDerWaalsContact O-CB 3.26Å; L95-L99 WeakPolarHBondContact O-CB 3.43Å; L95-L99 PolarHBondContact O-N 2.8Å; L99-F102 PolarHBondContact O-N 3.18Å; L99-C103 WeakPolarHBondContact O-CB 3.45Å; L99-C103 PolarHBondContact O-N 2.9Å; L99-C103 PolarHBondContact O-SG 3.39Å |
| 100 | L | 92.2 | Very high | 91.6 | Very high | 104 Ų | 104 | 91.3 Ų | 91.3 | 55% | 0.545 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 176.1 | -75.6 | 167.9 | 0 | 0 | 0 | 112.1 | L96 L97 T104 | L96-L100 WeakPolarHBondContact O-CB 3.12Å; L96-L100 WeakPolarHBondContact O-CG 3.37Å; L96-L100 PolarHBondContact O-N 3.25Å; L97-L100 PolarHBondContact O-N 2.97Å; L100-T104 WeakPolarHBondContact O-CB 3.42Å; L100-T104 PolarHBondContact O-N 3.3Å; L100-T104 PolarHBondContact O-OG1 3.5Å |
| 101 | L | 92.8 | Very high | 91.7 | Very high | 115 Ų | 115 | 96.3 Ų | 96.3 | 60% | 0.602 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.1 | -44.7 | 173 | -74.8 | 168.6 | 0 | 0 | 0 | 111.2 | L97 E98 T104 V105 | L97-L101 WeakPolarHBondContact O-CB 3.46Å; L97-L101 VanDerWaalsContact O-CG 3.26Å; L97-L101 WeakPolarHBondContact O-CG 3.42Å; L97-L101 PolarHBondContact O-N 3.09Å; E98-L101 PolarHBondContact O-N 2.9Å; L101-T104 PolarHBondContact O-N 2.7Å; L101-V105 WeakPolarHBondContact O-CG2 3.34Å; L101-V105 PolarHBondContact O-N 2.89Å |
| 102 | F | 91.2 | Very high | 92 | Very high | 123 Ų | 123 | 101 Ų | 101 | 54% | 0.539 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.2 | -48.2 | 177.2 | -175.9 | -105.7 | 0 | 0 | 0 | 112 | E98 L99 T104 V105 L106 | E98-F102 WeakPolarHBondContact O-CB 3.33Å; E98-F102 PolarHBondContact O-N 3.13Å; L99-F102 PolarHBondContact O-N 3.18Å; F102-T104 VanDerWaalsContact C-N 3.32Å; F102-T104 PolarHBondContact O-N 3.08Å; F102-V105 PolarHBondContact O-N 2.86Å; F102-L106 HydrophobicContact CD1-CD1 3.97Å; F102-L106 HydrophobicContact CD1-CG 4.48Å; F102-L106 HydrophobicContact CE1-CD1 3.5Å; F102-L106 VanDerWaalsContact CE1-CD1 3.5Å; F102-L106 HydrophobicContact CE1-CG 4.21Å; F102-L106 HydrophobicContact CZ-CD1 3.93Å; F102-L106 HydrophobicContact CZ-CD2 4.47Å; F102-L106 HydrophobicContact CZ-CG 4.31Å; F102-L106 WeakPolarHBondContact O-CG 3.17Å; F102-L106 PolarHBondContact O-N 3.39Å |
| 103 | C | 93 | Very high | 92.2 | Very high | 51 Ų | 51 | 102 Ų | 102 | 35% | 0.345 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58 | -43 | 173.1 | -70.8 | 0 | 0 | 0 | 0 | 111.9 | L99 V105 L106 S107 | L99-C103 WeakPolarHBondContact O-CB 3.45Å; L99-C103 PolarHBondContact O-N 2.9Å; L99-C103 PolarHBondContact O-SG 3.39Å; C103-V105 PolarHBondContact O-N 3.04Å; C103-L106 PolarHBondContact O-N 2.91Å; C103-S107 PolarHBondContact O-N 3.09Å; C103-S107 PolarHBondContact O-OG 3.04Å |
| 104 | T | 92.8 | Very high | 92.4 | Very high | 92 Ų | 92 | 100 Ų | 100 | 56% | 0.564 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.8 | -41.6 | 177.6 | -57.5 | 0 | 0 | 0 | 0 | 111.9 | L100 L101 F102 Y108 | L100-T104 WeakPolarHBondContact O-CB 3.42Å; L100-T104 PolarHBondContact O-N 3.3Å; L100-T104 PolarHBondContact O-OG1 3.5Å; L101-T104 PolarHBondContact O-N 2.7Å; F102-T104 VanDerWaalsContact C-N 3.32Å; F102-T104 PolarHBondContact O-N 3.08Å; T104-Y108 WeakPolarHBondContact O-CB 3.38Å; T104-Y108 PolarHBondContact O-N 2.83Å |
| 105 | V | 93.9 | Very high | 92.4 | Very high | 95 Ų | 95 | 102.4 Ų | 102.4 | 58% | 0.576 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.7 | -39.6 | 176.6 | 169.4 | 0 | 0 | 0 | 0 | 111.5 | L101 F102 C103 R109 | L101-V105 WeakPolarHBondContact O-CG2 3.34Å; L101-V105 PolarHBondContact O-N 2.89Å; F102-V105 PolarHBondContact O-N 2.86Å; C103-V105 PolarHBondContact O-N 3.04Å; V105-R109 WeakPolarHBondContact O-CB 3.41Å; V105-R109 PolarHBondContact O-N 2.88Å |
| 106 | L | 93.6 | Very high | 92.3 | Very high | 76 Ų | 76 | 99 Ų | 99 | 40% | 0.398 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.1 | -50.3 | 173.8 | -70.9 | -177.6 | 0 | 0 | 0 | 111.8 | F102 C103 Y108 R109 E110 | F102-L106 HydrophobicContact CD1-CD1 3.97Å; F102-L106 HydrophobicContact CD1-CG 4.48Å; F102-L106 HydrophobicContact CE1-CD1 3.5Å; F102-L106 VanDerWaalsContact CE1-CD1 3.5Å; F102-L106 HydrophobicContact CE1-CG 4.21Å; F102-L106 HydrophobicContact CZ-CD1 3.93Å; F102-L106 HydrophobicContact CZ-CD2 4.47Å; F102-L106 HydrophobicContact CZ-CG 4.31Å; F102-L106 WeakPolarHBondContact O-CG 3.17Å; F102-L106 PolarHBondContact O-N 3.39Å; C103-L106 PolarHBondContact O-N 2.91Å; L106-Y108 VanDerWaalsContact C-N 3.29Å; L106-Y108 PolarHBondContact O-N 2.89Å; L106-R109 WeakPolarHBondContact O-CB 3.49Å; L106-R109 PolarHBondContact O-N 3.1Å; L106-E110 PolarHBondContact O-N 3.03Å |
| 107 | S | 94 | Very high | 92.2 | Very high | 51 Ų | 51 | 96.4 Ų | 96.4 | 36% | 0.357 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.9 | -37.1 | 177.4 | -60.3 | 0 | 0 | 0 | 0 | 112.6 | C103 W111 | C103-S107 PolarHBondContact O-N 3.09Å; C103-S107 PolarHBondContact O-OG 3.04Å; S107-W111 WeakPolarHBondContact O-CB 3.47Å; S107-W111 PolarHBondContact O-N 3.41Å |
| 108 | Y | 92.9 | Very high | 91.9 | Very high | 119 Ų | 119 | 97.4 Ų | 97.4 | 47% | 0.467 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.7 | -38.8 | 173.6 | -179 | -97.6 | 0 | 0 | 0 | 112.2 | T104 L106 W111 R112 | T104-Y108 WeakPolarHBondContact O-CB 3.38Å; T104-Y108 PolarHBondContact O-N 2.83Å; L106-Y108 VanDerWaalsContact C-N 3.29Å; L106-Y108 PolarHBondContact O-N 2.89Å; Y108-W111 HydrophobicContact CD2-CE3 4.37Å; Y108-W111 HydrophobicContact CE2-CE3 4.19Å; Y108-W111 HydrophobicContact CE2-CZ3 4.14Å; Y108-R112 WeakPolarHBondContact O-CB 3.46Å; Y108-R112 PolarHBondContact O-N 2.95Å |
| 109 | R | 93.6 | Very high | 91.4 | Very high | 167 Ų | 167 | 96.5 Ų | 96.5 | 63% | 0.63 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.7 | -48.9 | 175.8 | -177.3 | 177.3 | 179.8 | 164.5 | 1.3 | 111.7 | V105 L106 W111 R112 D113 | V105-R109 WeakPolarHBondContact O-CB 3.41Å; V105-R109 PolarHBondContact O-N 2.88Å; L106-R109 WeakPolarHBondContact O-CB 3.49Å; L106-R109 PolarHBondContact O-N 3.1Å; R109-W111 VanDerWaalsContact C-N 3.33Å; R109-W111 PolarHBondContact O-N 3.07Å; R109-R112 WeakPolarHBondContact O-CB 3.49Å; R109-R112 PolarHBondContact O-N 2.87Å; R109-R112 VanDerWaalsContact O-N 3.15Å; R109-D113 IonicContact NE-OD2 3.97Å; R109-D113 PolarHBondContact O-N 3.1Å |
| 110 | E | 93.6 | Very high | 91 | Very high | 134 Ų | 134 | 98.3 Ų | 98.3 | 63% | 0.626 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.4 | -43.4 | 177 | -69.3 | -175.2 | 156.4 | 0 | 0 | 111.8 | L106 R112 D113 G114 | L106-E110 PolarHBondContact O-N 3.03Å; E110-R112 PolarHBondContact O-N 3.27Å; E110-D113 PolarHBondContact O-N 3.05Å; E110-G114 PolarHBondContact O-N 3.18Å |
| 111 | W | 93.1 | Very high | 90.1 | Very high | 139 Ų | 139 | 97.5 Ų | 97.5 | 53% | 0.527 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 174.5 | 178 | 84.1 | 0 | 0 | 0 | 112.6 | S107 Y108 R109 G114 Q115 | S107-W111 WeakPolarHBondContact O-CB 3.47Å; S107-W111 PolarHBondContact O-N 3.41Å; Y108-W111 HydrophobicContact CD2-CE3 4.37Å; Y108-W111 HydrophobicContact CE2-CE3 4.19Å; Y108-W111 HydrophobicContact CE2-CZ3 4.14Å; R109-W111 VanDerWaalsContact C-N 3.33Å; R109-W111 PolarHBondContact O-N 3.07Å; W111-G114 PolarHBondContact O-N 2.91Å; W111-Q115 HydrophobicContact CD2-CG 4.36Å; W111-Q115 HydrophobicContact CH2-CG 4.38Å; W111-Q115 HydrophobicContact CZ2-CG 4.19Å; W111-Q115 WeakPolarHBondContact O-CG 3.47Å; W111-Q115 PolarHBondContact O-N 3.29Å; W111-Q115 VanDerWaalsContact O-N 3.08Å |
| 112 | R | 93.5 | Very high | 89.2 | Confident | 162 Ų | 162 | 95.8 Ų | 95.8 | 61% | 0.611 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.3 | -40.9 | 177.6 | -169.6 | -177 | -169.9 | -169.2 | 5.8 | 112.1 | Y108 R109 E110 G114 Q115 A116 | Y108-R112 WeakPolarHBondContact O-CB 3.46Å; Y108-R112 PolarHBondContact O-N 2.95Å; R109-R112 WeakPolarHBondContact O-CB 3.49Å; R109-R112 PolarHBondContact O-N 2.87Å; R109-R112 VanDerWaalsContact O-N 3.15Å; E110-R112 PolarHBondContact O-N 3.27Å; R112-G114 VanDerWaalsContact C-N 3.33Å; R112-Q115 PolarHBondContact O-N 2.93Å; R112-A116 PolarHBondContact O-N 3.11Å |
| 113 | D | 92.4 | Very high | 88.2 | Confident | 93 Ų | 93 | 93.7 Ų | 93.7 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.5 | -32.4 | 177.9 | -72.9 | -26.9 | 0 | 0 | 0 | 111.4 | R109 E110 A116 A117 | R109-D113 IonicContact NE-OD2 3.97Å; R109-D113 PolarHBondContact O-N 3.1Å; E110-D113 PolarHBondContact O-N 3.05Å; D113-A116 PolarHBondContact O-N 3.48Å; D113-A117 PolarHBondContact O-N 3.02Å |
| 114 | G | 92.1 | Very high | 86.9 | Confident | 35 Ų | 35 | 99.1 Ų | 99.1 | 36% | 0.361 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.3 | -50.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E110 W111 R112 A116 A117 D118 | E110-G114 PolarHBondContact O-N 3.18Å; W111-G114 PolarHBondContact O-N 2.91Å; R112-G114 VanDerWaalsContact C-N 3.33Å; G114-A116 PolarHBondContact O-N 3.33Å; G114-A117 WeakPolarHBondContact O-CA 3.46Å; G114-A117 WeakPolarHBondContact O-CB 3.29Å; G114-A117 PolarHBondContact O-N 3.02Å; G114-D118 PolarHBondContact O-N 3.28Å; G114-D118 VanDerWaalsContact O-N 3.16Å |
| 115 | Q | 89.5 | Confident | 85.5 | Confident | 100 Ų | 100 | 101.7 Ų | 101.7 | 47% | 0.467 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -57.2 | -35.2 | 174 | -68 | -85.6 | 24.8 | 0 | 0 | 112.2 | W111 R112 A117 S119 | W111-Q115 HydrophobicContact CD2-CG 4.36Å; W111-Q115 HydrophobicContact CH2-CG 4.38Å; W111-Q115 HydrophobicContact CZ2-CG 4.19Å; W111-Q115 WeakPolarHBondContact O-CG 3.47Å; W111-Q115 PolarHBondContact O-N 3.29Å; W111-Q115 VanDerWaalsContact O-N 3.08Å; R112-Q115 PolarHBondContact O-N 2.93Å; Q115-A117 VanDerWaalsContact C-N 3.26Å; Q115-A117 PolarHBondContact O-N 3.33Å; Q115-S119 WeakPolarHBondContact O-CB 3.39Å; Q115-S119 PolarHBondContact O-N 3.46Å; Q115-S119 PolarHBondContact O-OG 3.27Å |
| 116 | A | 87.9 | Confident | 84 | Confident | 36 Ų | 36 | 104.9 Ų | 104.9 | 30% | 0.298 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -73.7 | -10.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R112 D113 G114 K120 | R112-A116 PolarHBondContact O-N 3.11Å; D113-A116 PolarHBondContact O-N 3.48Å; G114-A116 PolarHBondContact O-N 3.33Å; A116-K120 WeakPolarHBondContact O-CD 3.43Å; A116-K120 WeakPolarHBondContact O-CE 3.11Å; A116-K120 WeakPolarHBondContact O-CG 3.33Å; A116-K120 PolarHBondContact O-NZ 3.4Å |
| 117 | A | 88.1 | Confident | 82.5 | Confident | 49 Ų | 49 | 105.5 Ų | 105.5 | 41% | 0.405 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -90.4 | -49.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | D113 G114 Q115 S119 K120 C121 | D113-A117 PolarHBondContact O-N 3.02Å; G114-A117 WeakPolarHBondContact O-CA 3.46Å; G114-A117 WeakPolarHBondContact O-CB 3.29Å; G114-A117 PolarHBondContact O-N 3.02Å; Q115-A117 VanDerWaalsContact C-N 3.26Å; Q115-A117 PolarHBondContact O-N 3.33Å; A117-S119 PolarHBondContact O-N 2.93Å; A117-K120 WeakPolarHBondContact O-CB 3.46Å; A117-K120 PolarHBondContact O-N 3.47Å; A117-K120 VanDerWaalsContact O-N 3.12Å; A117-C121 PolarHBondContact O-N 3.38Å |
| 118 | D | 85.4 | Confident | 81 | Confident | 113 Ų | 113 | 108.9 Ų | 108.9 | 60% | 0.604 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.4 | -39.1 | -176.5 | -78.1 | -22 | 0 | 0 | 0 | 113.2 | G114 K120 C121 S122 | G114-D118 PolarHBondContact O-N 3.28Å; G114-D118 VanDerWaalsContact O-N 3.16Å; D118-K120 VanDerWaalsContact C-N 3.26Å; D118-K120 PolarHBondContact O-N 2.92Å; D118-C121 WeakPolarHBondContact O-CB 3.48Å; D118-C121 PolarHBondContact O-N 3.12Å; D118-C121 VanDerWaalsContact O-N 3.1Å; D118-S122 PolarHBondContact O-N 3.5Å |
| 119 | S | 83.3 | Confident | 79.6 | Confident | 71 Ų | 71 | 110.5 Ų | 110.5 | 50% | 0.497 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -56.9 | -37.8 | 173.4 | 49.1 | 0 | 0 | 0 | 0 | 112.9 | Q115 A117 S123 | Q115-S119 WeakPolarHBondContact O-CB 3.39Å; Q115-S119 PolarHBondContact O-N 3.46Å; Q115-S119 PolarHBondContact O-OG 3.27Å; A117-S119 PolarHBondContact O-N 2.93Å; S119-S123 PolarHBondContact O-N 3Å |
| 120 | K | 81.1 | Confident | 78.1 | Confident | 140 Ų | 140 | 106.9 Ų | 106.9 | 61% | 0.609 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.9 | -39 | 175.4 | -65.7 | 174 | -177 | 125.2 | 0 | 111.7 | A116 A117 D118 S123 | A116-K120 WeakPolarHBondContact O-CD 3.43Å; A116-K120 WeakPolarHBondContact O-CE 3.11Å; A116-K120 WeakPolarHBondContact O-CG 3.33Å; A116-K120 PolarHBondContact O-NZ 3.4Å; A117-K120 WeakPolarHBondContact O-CB 3.46Å; A117-K120 PolarHBondContact O-N 3.47Å; A117-K120 VanDerWaalsContact O-N 3.12Å; D118-K120 VanDerWaalsContact C-N 3.26Å; D118-K120 PolarHBondContact O-N 2.92Å; K120-S123 PolarHBondContact O-OG 2.96Å |
| 121 | C | 73.4 | Confident | 76.6 | Confident | 86 Ų | 86 | 106.6 Ų | 106.6 | 58% | 0.581 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.2 | -45.7 | 175.3 | -73.3 | 0 | 0 | 0 | 0 | 112.3 | A117 D118 S123 K124 | A117-C121 PolarHBondContact O-N 3.38Å; D118-C121 WeakPolarHBondContact O-CB 3.48Å; D118-C121 PolarHBondContact O-N 3.12Å; D118-C121 VanDerWaalsContact O-N 3.1Å; C121-S123 PolarHBondContact O-N 3.34Å; C121-K124 PolarHBondContact O-N 2.97Å |
| 122 | S | 73.8 | Confident | 74.9 | Confident | 79 Ų | 79 | 103.7 Ų | 103.7 | 55% | 0.552 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -59.2 | -45.9 | 179.8 | -172.4 | 0 | 0 | 0 | 0 | 112.4 | D118 K124 L125 | D118-S122 PolarHBondContact O-N 3.5Å; S122-K124 PolarHBondContact O-N 2.94Å; S122-K124 VanDerWaalsContact O-N 3.1Å; S122-L125 PolarHBondContact O-N 3.45Å; S122-L125 VanDerWaalsContact O-N 3.07Å |
| 123 | S | 70.9 | Confident | 73 | Confident | 79 Ų | 79 | 102.1 Ų | 102.1 | 55% | 0.552 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -54.5 | -33.6 | -178.2 | 73.2 | 0 | 0 | 0 | 0 | 114.7 | S119 K120 C121 | S119-S123 PolarHBondContact O-N 3Å; K120-S123 PolarHBondContact O-OG 2.96Å; C121-S123 PolarHBondContact O-N 3.34Å |
| 124 | K | 67 | Low | 71.2 | Confident | 166 Ų | 166 | 106.4 Ų | 106.4 | 72% | 0.722 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -76 | -22 | -178.4 | -91.8 | 179.4 | 174.8 | 172.9 | 0 | 114.2 | C121 S122 | C121-K124 PolarHBondContact O-N 2.97Å; S122-K124 PolarHBondContact O-N 2.94Å; S122-K124 VanDerWaalsContact O-N 3.1Å |
| 125 | L | 62.8 | Low | 69.3 | Low | 146 Ų | 146 | 112.4 Ų | 112.4 | 76% | 0.764 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -79.4 | -25.9 | -177.3 | -92.5 | 161 | 0 | 0 | 0 | 113.4 | S122 | S122-L125 PolarHBondContact O-N 3.45Å; S122-L125 VanDerWaalsContact O-N 3.07Å |
| 126 | M | 61.2 | Low | 67.6 | Low | 162 Ų | 162 | 111.8 Ų | 111.8 | 80% | 0.798 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -88.2 | -17.3 | 179.2 | -70 | -165.6 | 161.1 | 0 | 0 | 114.5 | N128 | M126-N128 VanDerWaalsContact C-N 3.26Å; M126-N128 PolarHBondContact O-N 3.43Å; M126-N128 VanDerWaalsContact O-N 3.16Å |
| 127 | S | 62.3 | Low | 65.8 | Low | 88 Ų | 88 | 115.9 Ų | 115.9 | 62% | 0.615 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -17.2 | -173.2 | -171.4 | 0 | 0 | 0 | 0 | 115.6 | ||
| 128 | N | 63.7 | Low | 64.2 | Low | 123 Ų | 123 | 120 Ų | 120 | 66% | 0.658 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | -3.8 | -163.5 | -70.3 | -11.7 | 0 | 0 | 0 | 115.5 | M126 | M126-N128 VanDerWaalsContact C-N 3.26Å; M126-N128 PolarHBondContact O-N 3.43Å; M126-N128 VanDerWaalsContact O-N 3.16Å |
| 129 | N | 63.2 | Low | 62.4 | Low | 152 Ų | 152 | 125.4 Ų | 125.4 | 81% | 0.813 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -107.6 | 6.4 | -175.2 | -70.8 | -8.1 | 0 | 0 | 0 | 114.3 | ||
| 130 | A | 61.8 | Low | 60.8 | Low | 91 Ų | 91 | 130.3 Ų | 130.3 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | trans | -93.7 | -11 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | G132 | A130-G132 PolarHBondContact O-N 2.98Š| ||
| 131 | T | 61.8 | Low | 59.4 | Low | 129 Ų | 129 | 135.5 Ų | 135.5 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -79.4 | 103.8 | 176.2 | 22 | 0 | 0 | 0 | 0 | 110.9 | S133 | T131-S133 PolarHBondContact O-N 3.12Å; T131-S133 VanDerWaalsContact O-N 3.13Å |
| 132 | G | 58 | Low | 58.1 | Low | 78 Ų | 78 | 139 Ų | 139 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -59.7 | 110.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A130 K134 | A130-G132 PolarHBondContact O-N 2.98Å; G132-K134 PolarHBondContact O-N 3.17Å | ||
| 133 | S | 53.3 | Low | 57.2 | Low | 129 Ų | 129 | 141 Ų | 141 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | trans | -80.6 | 102.2 | 168 | -177.7 | 0 | 0 | 0 | 0 | 109.9 | T131 | T131-S133 PolarHBondContact O-N 3.12Å; T131-S133 VanDerWaalsContact O-N 3.13Å | ||
| 134 | K | 54.8 | Low | 55.9 | Low | 182 Ų | 182 | 146.2 Ų | 146.2 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -138 | 117 | 172.3 | -142.3 | -172.6 | -179.4 | -171.8 | 0 | 109.4 | G132 | G132-K134 PolarHBondContact O-N 3.17Š| ||
| 135 | L | 52.1 | Low | 55.3 | Low | 162 Ų | 162 | 144.1 Ų | 144.1 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | trans | 69.4 | 146.3 | 168.3 | -56 | 167 | 0 | 0 | 0 | 115.9 | ||||
| 136 | A | 54.2 | Low | 54.5 | Low | 87 Ų | 87 | 144 Ų | 144 | 72% | 0.719 | 79% | 0.793 | S | S | * | * | cis | -150 | 160.7 | -11.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 137 | P | 48.6 | Very low | 54.4 | Low | 122 Ų | 122 | 141.8 Ų | 141.8 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | trans | -99.6 | 156.4 | -162 | 37.4 | -35.8 | 0 | 0 | 0 | 115.6 | ||||
| 138 | T | 54.5 | Low | 53.9 | Low | 136 Ų | 136 | 147 Ų | 147 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | trans | -150.7 | 142.7 | 156 | 12.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 139 | R | 49.4 | Very low | 53.3 | Low | 225 Ų | 225 | 146.9 Ų | 146.9 | 85% | 0.849 | 81% | 0.813 | S | S | * | * | trans | 68 | 94 | 160.2 | -66.7 | -175.3 | 175.1 | -171.8 | -0.4 | 120.3 | ||||
| 140 | K | 49 | Very low | 52.6 | Low | 175 Ų | 175 | 146.7 Ų | 146.7 | 76% | 0.761 | 82% | 0.817 | S | S | * | * | 58.1 | 98.6 | 125.6 | -61 | -176 | 179.1 | -169.9 | 0 | 118.4 | |||||
| 141 | Y | 51.2 | Low | 52.1 | Low | 248 Ų | 248 | 145.5 Ų | 145.5 | 97% | 0.973 | 81% | 0.813 | S | S | * | * | -125.3 | 158.3 | 114.2 | -108.2 | -87.4 | 0 | 0 | 0 | 109.3 | |||||
| 142 | Q | 46 | Very low | 51.3 | Low | 159 Ų | 159 | 146.8 Ų | 146.8 | 74% | 0.743 | 82% | 0.816 | S | S | * | * | trans | -134.1 | 114.3 | -155 | -176.9 | 173.2 | -7.3 | 0 | 0 | 111.2 | ||||
| 143 | S | 55 | Low | 50.9 | Low | 123 Ų | 123 | 146.3 Ų | 146.3 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -149.3 | 146.1 | 166.7 | -166.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 144 | Y | 44.2 | Very low | 50.8 | Low | 187 Ų | 187 | 147.4 Ų | 147.4 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | trans | -89.8 | 145.4 | -169.8 | -99.9 | -108.7 | 0 | 0 | 0 | 113.3 | ||||
| 145 | S | 53.8 | Low | 50.8 | Low | 123 Ų | 123 | 144.6 Ų | 144.6 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | -173.5 | 144.3 | 127.1 | -77.5 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 146 | D | 46.8 | Very low | 51 | Low | 143 Ų | 143 | 146.1 Ų | 146.1 | 77% | 0.765 | 80% | 0.798 | S | S | * | * | trans | -90.6 | 154.8 | -166.9 | -61.1 | -91.5 | 0 | 0 | 0 | 115.6 | ||||
| 147 | S | 59.3 | Low | 51.2 | Low | 116 Ų | 116 | 150.7 Ų | 150.7 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | 165.4 | 83.3 | 124.5 | -177.5 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 148 | K | 51.6 | Low | 51.4 | Low | 198 Ų | 198 | 152.1 Ų | 152.1 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | trans | 32.1 | 147.2 | 140.9 | -75.6 | -174.8 | 174.3 | 179.2 | 0 | 125.6 | ||||
| 149 | C | 50.5 | Low | 51.5 | Low | 119 Ų | 119 | 149.1 Ų | 149.1 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | 88.2 | 143.1 | 153.6 | -65.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 150 | V | 49.9 | Very low | 51.8 | Low | 148 Ų | 148 | 144.7 Ų | 144.7 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | cis | -171.3 | 143.9 | -28.3 | 127 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 151 | G | 50.2 | Low | 52.1 | Low | 66 Ų | 66 | 142.9 Ų | 142.9 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | trans | 147.6 | 141.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 152 | N | 44.9 | Very low | 52 | Low | 157 Ų | 157 | 136 Ų | 136 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | trans | -134.6 | 161.1 | -166.8 | -67.4 | 9.2 | 0 | 0 | 0 | 115.7 | ||||
| 153 | G | 50.1 | Low | 52.1 | Low | 68 Ų | 68 | 132.1 Ų | 132.1 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | 128.1 | 92.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 154 | Q | 50.8 | Low | 51.9 | Low | 152 Ų | 152 | 134.9 Ų | 134.9 | 71% | 0.71 | 76% | 0.761 | S | S | * | * | cis | 89.4 | 138.1 | 47.9 | -65.1 | -176.9 | -109.3 | 0 | 0 | 113.9 | ||||
| 155 | D | 55.6 | Low | 52 | Low | 123 Ų | 123 | 131.8 Ų | 131.8 | 66% | 0.658 | 76% | 0.757 | S | S | * | * | cis | -163.2 | 177.1 | -8.3 | -94.6 | -28.1 | 0 | 0 | 0 | 111.6 | ||||
| 156 | E | 55.8 | Low | 51.4 | Low | 193 Ų | 193 | 135.1 Ų | 135.1 | 90% | 0.902 | 75% | 0.751 | S | S | * | * | trans | 65.1 | 175.9 | 166.9 | -69.2 | 174.1 | 125.9 | 0 | 0 | 118.2 | ||||
| 157 | E | 57.4 | Low | 51.1 | Low | 184 Ų | 184 | 136.7 Ų | 136.7 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | cis | -141.4 | -148.4 | 6.9 | -152.3 | -159.7 | 114.8 | 0 | 0 | 112.8 | ||||
| 158 | E | 54.3 | Low | 50.2 | Low | 151 Ų | 151 | 136 Ų | 136 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | trans | -120 | -145.1 | -173.5 | -140.4 | -164.8 | -116.6 | 0 | 0 | 114.7 | N160 | E158-N160 PolarHBondContact OE2-ND2 3Å; E158-N160 PolarHBondContact OE2-OD1 3Å | ||
| 159 | A | 55.2 | Low | 49.5 | Very low | 73 Ų | 73 | 137.6 Ų | 137.6 | 60% | 0.603 | 74% | 0.743 | S | S | * | * | cis | -158.5 | 140.4 | 8.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 160 | N | 56.4 | Low | 49 | Very low | 133 Ų | 133 | 137.5 Ų | 137.5 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | trans | 49.3 | 145.2 | 138.4 | -58.9 | -36.9 | 0 | 0 | 0 | 124.8 | E158 | E158-N160 PolarHBondContact OE2-ND2 3Å; E158-N160 PolarHBondContact OE2-OD1 3Å | ||
| 161 | D | 54.7 | Low | 48.4 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | cis | -161.2 | 158.2 | 1.8 | -150.8 | -22.3 | 0 | 0 | 0 | 115.9 | ||||
| 162 | S | 49.7 | Very low | 47.9 | Very low | 102 Ų | 102 | 138.6 Ų | 138.6 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | trans | 53.2 | 153.5 | 145.5 | -78.6 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 163 | A | 48 | Very low | 47.6 | Very low | 78 Ų | 78 | 139.5 Ų | 139.5 | 65% | 0.645 | 75% | 0.748 | S | S | * | * | cis | -175.8 | 149 | -18.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 164 | K | 51.7 | Low | 46.6 | Very low | 182 Ų | 182 | 148 Ų | 148 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | trans | 79.9 | 122.2 | 140.4 | -76.7 | 165.3 | -176.2 | 162.1 | 0 | 127.3 | ||||
| 165 | N | 44.5 | Very low | 45.7 | Very low | 121 Ų | 121 | 152.7 Ų | 152.7 | 65% | 0.647 | 77% | 0.77 | S | S | * | * | 73.5 | 153.9 | 129.4 | -67.5 | -21.1 | 0 | 0 | 0 | 122.6 | |||||
| 166 | R | 42.8 | Very low | 44.8 | Very low | 194 Ų | 194 | 152.1 Ų | 152.1 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | cis | -171.9 | 160.3 | -11.1 | -109.4 | 175.5 | -172.2 | -170.8 | -0.2 | 114.2 | ||||
| 167 | F | 40.1 | Very low | 43.9 | Very low | 175 Ų | 175 | 152.2 Ų | 152.2 | 77% | 0.768 | 78% | 0.776 | S | S | * | * | trans | 74.4 | 152.4 | 148.7 | -88.7 | -136.6 | 0 | 0 | 0 | 120.5 | ||||
| 168 | V | 40.7 | Very low | 43 | Very low | 103 Ų | 103 | 151.7 Ų | 151.7 | 62% | 0.624 | 78% | 0.778 | S | S | * | * | cis | -166.3 | 149.5 | -22.5 | 104.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 169 | R | 37 | Very low | 42 | Very low | 231 Ų | 231 | 156.6 Ų | 156.6 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | trans | 48.6 | 129 | 158.7 | -69.7 | 177 | 172.8 | 168.3 | -3.1 | 124 | ||||
| 170 | S | 39.6 | Very low | 41.2 | Very low | 117 Ų | 117 | 158.5 Ų | 158.5 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | -171 | 173.6 | 109.5 | 55.4 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 171 | S | 36.9 | Very low | 40.4 | Very low | 119 Ų | 119 | 158 Ų | 158 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -160.7 | 151.5 | -173.9 | -49 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 172 | P | 39.2 | Very low | 39.6 | Very low | 118 Ų | 118 | 158.8 Ų | 158.8 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | trans | -139.8 | 140.6 | 156.6 | 34.4 | -17.1 | 0 | 0 | 0 | 117.7 | ||||
| 173 | L | 38.8 | Very low | 39.1 | Very low | 175 Ų | 175 | 164.3 Ų | 164.3 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | trans | 60.7 | 146.1 | 145.2 | -84.1 | 70 | 0 | 0 | 0 | 124 | ||||
| 174 | R | 28.8 | Very low | 38.5 | Very low | 247 Ų | 247 | 165.5 Ų | 165.5 | 93% | 0.932 | 81% | 0.813 | S | S | * | * | trans | -106.7 | 156.8 | 167.3 | -79.1 | 172.3 | 157.3 | 172.1 | -7.8 | 110 | ||||
| 175 | R | 33.6 | Very low | 37.9 | Very low | 250 Ų | 250 | 163.9 Ų | 163.9 | 94% | 0.943 | 81% | 0.813 | S | S | * | * | trans | -126.7 | 148.4 | 151.5 | -142.6 | 173.9 | -169.2 | 176.2 | 2.9 | 108.9 | ||||
| 176 | S | 36 | Very low | 37.7 | Very low | 112 Ų | 112 | 167.1 Ų | 167.1 | 78% | 0.783 | 83% | 0.826 | S | S | * | * | trans | -107.1 | 132.2 | -168.5 | 50.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 177 | H | 36.1 | Very low | 37.5 | Very low | 195 Ų | 195 | 164.2 Ų | 164.2 | 90% | 0.903 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 145.5 | 168.4 | -74.2 | -94.6 | 0 | 0 | 0 | 111.6 | ||
| 178 | L | 39.5 | Very low | 37.7 | Very low | 173 Ų | 173 | 161.2 Ų | 161.2 | 91% | 0.906 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 152.4 | 172.7 | -74.4 | 157.1 | 0 | 0 | 0 | 111 | ||
| 179 | R | 32.4 | Very low | 37.6 | Very low | 253 Ų | 253 | 161.9 Ų | 161.9 | 96% | 0.955 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 126.6 | 171.2 | -79.7 | 176.5 | 163.5 | 178.8 | -6.8 | 110.2 | ||
| 180 | S | 39.6 | Very low | 37.7 | Very low | 113 Ų | 113 | 158.5 Ų | 158.5 | 79% | 0.79 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 169.4 | 150.8 | 53.6 | 0 | 0 | 0 | 0 | 110.5 | ||
| 181 | V | 39.3 | Very low | 37.7 | Very low | 122 Ų | 122 | 158.5 Ų | 158.5 | 74% | 0.739 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -90 | 130.8 | -166.9 | 178.6 | 0 | 0 | 0 | 0 | 111.9 | ||
| 182 | N | 36.9 | Very low | 37.9 | Very low | 155 Ų | 155 | 161 Ų | 161 | 83% | 0.829 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 124.2 | 166.4 | -79 | -5.8 | 0 | 0 | 0 | 110.2 | ||
| 183 | Y | 38.7 | Very low | 38 | Very low | 217 Ų | 217 | 158.4 Ų | 158.4 | 85% | 0.851 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 126.4 | 157.4 | -78.1 | -89.2 | 0 | 0 | 0 | 109.5 | ||
| 184 | P | 35.9 | Very low | 38 | Very low | 103 Ų | 103 | 160 Ų | 160 | 67% | 0.669 | 83% | 0.834 | S | S | * | * | trans | -78.7 | 178.5 | 166.1 | 34.7 | -34.4 | 0 | 0 | 0 | 111.4 | ||||
| 185 | D | 40.4 | Very low | 38.7 | Very low | 149 Ų | 149 | 152.8 Ų | 152.8 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | trans | 69.1 | 52.3 | 160.9 | -55 | -21.5 | 0 | 0 | 0 | 119.1 | ||||
| 186 | M | 40 | Very low | 38.8 | Very low | 188 Ų | 188 | 153 Ų | 153 | 93% | 0.926 | 82% | 0.821 | S | S | * | * | trans | -133.4 | 116.2 | 138.7 | -72.6 | -159.6 | -177.6 | 0 | 0 | 111.3 | ||||
| 187 | T | 38.9 | Very low | 38.9 | Very low | 134 Ų | 134 | 157.6 Ų | 157.6 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | trans | -141.3 | 99.5 | 174.9 | -58.7 | 0 | 0 | 0 | 0 | 110.6 | S189 | T187-S189 PolarHBondContact O-N 2.8Š| ||
| 188 | P | 43.9 | Very low | 39 | Very low | 111 Ų | 111 | 159.9 Ų | 159.9 | 72% | 0.721 | 82% | 0.823 | S | S | * | * | trans | -81 | 116 | 173 | 30.8 | -31.2 | 0 | 0 | 0 | 110.6 | L190 | P188-L190 PolarHBondContact O-N 3.32Š| ||
| 189 | S | 38.6 | Very low | 38.7 | Very low | 117 Ų | 117 | 157.5 Ų | 157.5 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -77.2 | 110.2 | 178.6 | 57.1 | 0 | 0 | 0 | 0 | 112 | T187 | T187-S189 PolarHBondContact O-N 2.8Š| ||
| 190 | L | 38.7 | Very low | 38.9 | Very low | 160 Ų | 160 | 152.4 Ų | 152.4 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | trans | -93.7 | 125.8 | 168.1 | -81.6 | 89.4 | 0 | 0 | 0 | 111.5 | P188 | P188-L190 PolarHBondContact O-N 3.32Š| ||
| 191 | S | 40.6 | Very low | 38.4 | Very low | 117 Ų | 117 | 151.6 Ų | 151.6 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -83.1 | 149.2 | 169.1 | 54 | 0 | 0 | 0 | 0 | 111.3 | G193 | S191-G193 PolarHBondContact O-N 3.11Š| ||
| 192 | N | 40.1 | Very low | 38.2 | Very low | 172 Ų | 172 | 156.1 Ų | 156.1 | 92% | 0.92 | 82% | 0.815 | S | S | * | * | trans | -71.6 | 115.5 | -171.7 | -78.6 | -57.9 | 0 | 0 | 0 | 113.4 | ||||
| 193 | G | 41.9 | Very low | 38 | Very low | 64 Ų | 64 | 156.9 Ų | 156.9 | 66% | 0.66 | 82% | 0.82 | S | S | * | * | trans | -144.1 | 95.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | S191 P195 | S191-G193 PolarHBondContact O-N 3.11Å; G193-P195 WeakPolarHBondContact O-CD 3.36Å | ||
| 194 | K | 39.3 | Very low | 38 | Very low | 208 Ų | 208 | 150.4 Ų | 150.4 | 90% | 0.904 | 81% | 0.811 | S | S | * | * | trans | -68.7 | 116.3 | -173.7 | -72.7 | -177.6 | 176.8 | 179 | 0 | 112.8 | ||||
| 195 | P | 41.7 | Very low | 38.1 | Very low | 96 Ų | 96 | 155 Ų | 155 | 62% | 0.623 | 82% | 0.823 | S | S | * | * | trans | -89 | 130.4 | 164.6 | 4.3 | 17.4 | 0 | 0 | 0 | 109.6 | G193 Y197 | G193-P195 WeakPolarHBondContact O-CD 3.36Å; P195-Y197 HydrophobicContact CB-CD2 3.9Å; P195-Y197 HydrophobicContact CB-CE2 3.64Å; P195-Y197 HydrophobicContact CG-CE2 4.29Å; P195-Y197 PolarHBondContact O-N 3.45Å | ||
| 196 | R | 35.6 | Very low | 38 | Very low | 255 Ų | 255 | 153.8 Ų | 153.8 | 96% | 0.962 | 83% | 0.825 | S | S | * | * | trans | -79.2 | 99.2 | 170 | -81.7 | 178.6 | 167.6 | 165.8 | -5.1 | 109.9 | ||||
| 197 | Y | 38.5 | Very low | 37.5 | Very low | 208 Ų | 208 | 153.5 Ų | 153.5 | 82% | 0.816 | 82% | 0.821 | S | S | * | * | trans | -97.9 | 127.8 | 164.1 | -76.2 | -78 | 0 | 0 | 0 | 110.8 | P195 | P195-Y197 HydrophobicContact CB-CD2 3.9Å; P195-Y197 HydrophobicContact CB-CE2 3.64Å; P195-Y197 HydrophobicContact CG-CE2 4.29Å; P195-Y197 PolarHBondContact O-N 3.45Å | ||
| 198 | R | 37.8 | Very low | 37.4 | Very low | 243 Ų | 243 | 152 Ų | 152 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | trans | -68.5 | 132.6 | 163.2 | -80.6 | 176.9 | 166 | 164.1 | -6.2 | 107.9 | L200 | R198-L200 PolarHBondContact O-N 3.48Å; R198-L200 VanDerWaalsContact O-N 3.07Å | ||
| 199 | S | 34.2 | Very low | 37.1 | Very low | 123 Ų | 123 | 153 Ų | 153 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | -66.6 | 104.3 | 168.4 | 52.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 200 | L | 35.6 | Very low | 37.1 | Very low | 145 Ų | 145 | 154.6 Ų | 154.6 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | trans | -80.9 | 113.4 | 166.5 | -155.6 | 83 | 0 | 0 | 0 | 107.4 | R198 R202 | R198-L200 PolarHBondContact O-N 3.48Å; R198-L200 VanDerWaalsContact O-N 3.07Å; L200-R202 PolarHBondContact O-N 3.01Å | ||
| 201 | A | 30.9 | Very low | 37.4 | Very low | 96 Ų | 96 | 152.6 Ų | 152.6 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | trans | -64.4 | 119.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 202 | R | 34.9 | Very low | 37.3 | Very low | 217 Ų | 217 | 155.5 Ų | 155.5 | 82% | 0.819 | 80% | 0.802 | S | S | * | * | trans | -116.9 | 107.6 | 171.2 | -83.3 | -173.7 | 168.9 | -177.6 | -3.8 | 108.6 | L200 A204 | L200-R202 PolarHBondContact O-N 3.01Å; R202-A204 PolarHBondContact O-N 3.5Å | ||
| 203 | N | 30.9 | Very low | 37.5 | Very low | 172 Ų | 172 | 152.1 Ų | 152.1 | 92% | 0.92 | 79% | 0.79 | S | S | * | * | trans | -70.8 | 113.9 | 162 | -66.5 | 5.1 | 0 | 0 | 0 | 107.1 | ||||
| 204 | A | 40.2 | Very low | 37.6 | Very low | 80 Ų | 80 | 153.9 Ų | 153.9 | 66% | 0.661 | 80% | 0.798 | S | S | * | * | trans | -145.1 | 121.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | R202 C206 | R202-A204 PolarHBondContact O-N 3.5Å; A204-C206 PolarHBondContact O-N 3.03Å | ||
| 205 | H | 36.9 | Very low | 37.9 | Very low | 201 Ų | 201 | 150.9 Ų | 150.9 | 93% | 0.931 | 79% | 0.792 | S | S | * | * | trans | -69.6 | 127.3 | 173.5 | -71.9 | -77.3 | 0 | 0 | 0 | 109.3 | Q207 | H205-Q207 PolarHBondContact O-N 3.28Š| ||
| 206 | C | 38.1 | Very low | 37.9 | Very low | 123 Ų | 123 | 153.7 Ų | 153.7 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | trans | -77.1 | 120.4 | 171.8 | -62.5 | 0 | 0 | 0 | 0 | 109.1 | A204 | A204-C206 PolarHBondContact O-N 3.03Š| ||
| 207 | Q | 31.2 | Very low | 38.3 | Very low | 182 Ų | 182 | 147.3 Ų | 147.3 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | -87.5 | 114.4 | 174.6 | -175.8 | 175.9 | 1.3 | 0 | 0 | 109.2 | H205 | H205-Q207 PolarHBondContact O-N 3.28Š| ||
| 208 | T | 36 | Very low | 38.8 | Very low | 103 Ų | 103 | 142.3 Ų | 142.3 | 63% | 0.632 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 131.4 | 176.7 | -47.8 | 0 | 0 | 0 | 0 | 110.2 | Y210 | T208-Y210 HydrophobicContact CG2-CE2 4.36Š|
| 209 | V | 38.2 | Very low | 39 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 79% | 0.788 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 131.7 | 170.5 | -179.9 | 0 | 0 | 0 | 0 | 108.2 | ||
| 210 | Y | 37.2 | Very low | 39.7 | Very low | 152 Ų | 152 | 132.9 Ų | 132.9 | 60% | 0.596 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 146.7 | 173.4 | -65.9 | -86.5 | 0 | 0 | 0 | 110.1 | T208 | T208-Y210 HydrophobicContact CG2-CE2 4.36Š|
| 211 | S | 44.8 | Very low | 40.3 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 83% | 0.825 | 73% | 0.725 | S | S | * | * | trans | -131.4 | 137.7 | 168.4 | 50.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 212 | F | 39 | Very low | 41.3 | Very low | 177 Ų | 177 | 135.8 Ų | 135.8 | 78% | 0.776 | 72% | 0.719 | S | S | * | * | trans | -88.4 | 152.9 | 177.3 | -72.7 | -88.2 | 0 | 0 | 0 | 110.7 | ||||
| 213 | P | 44.6 | Very low | 41.9 | Very low | 101 Ų | 101 | 132.2 Ų | 132.2 | 66% | 0.656 | 72% | 0.716 | S | S | * | * | trans | -63.7 | 144.6 | 169.5 | 28.8 | -34.6 | 0 | 0 | 0 | 110.5 | D215 | P213-D215 PolarHBondContact O-N 2.98Š| ||
| 214 | A | 44.9 | Very low | 42.4 | Very low | 101 Ų | 101 | 126.8 Ų | 126.8 | 84% | 0.835 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -73.7 | -7.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 215 | D | 43.8 | Very low | 42.8 | Very low | 145 Ų | 145 | 127.2 Ų | 127.2 | 78% | 0.775 | 69% | 0.688 | S | S | * | * | trans | -101.6 | 24.6 | -162.4 | -43.8 | -54.5 | 0 | 0 | 0 | 113.7 | P213 D217 | P213-D215 PolarHBondContact O-N 2.98Å; D215-D217 PolarHBondContact O-N 3.41Å; D215-D217 VanDerWaalsContact O-N 3.1Å | ||
| 216 | F | 42.7 | Very low | 43.1 | Very low | 156 Ų | 156 | 124.8 Ų | 124.8 | 68% | 0.684 | 68% | 0.68 | S | S | * | * | trans | -81.6 | 87.3 | 179.1 | -166.5 | -92.2 | 0 | 0 | 0 | 111.4 | L218 | F216-L218 HydrophobicContact CD1-CD2 4.14Å; F216-L218 HydrophobicContact CD1-CG 4.35Å; F216-L218 HydrophobicContact CE1-CD2 3.83Å; F216-L218 PolarHBondContact O-N 3.36Å | ||
| 217 | D | 43.3 | Very low | 43.7 | Very low | 121 Ų | 121 | 125.6 Ų | 125.6 | 65% | 0.647 | 67% | 0.67 | S | S | * | * | trans | -72.3 | 114.4 | -178.9 | -167.7 | -8.3 | 0 | 0 | 0 | 112.5 | D215 G219 | D215-D217 PolarHBondContact O-N 3.41Å; D215-D217 VanDerWaalsContact O-N 3.1Å; D217-G219 VanDerWaalsContact C-N 3.33Å; D217-G219 PolarHBondContact OD1-N 2.86Å | ||
| 218 | L | 49.4 | Very low | 44.2 | Very low | 102 Ų | 102 | 121 Ų | 121 | 53% | 0.534 | 65% | 0.651 | S | S | . | * | trans | -79.2 | -11.3 | 177 | -72.2 | 167 | 0 | 0 | 0 | 113.5 | F216 L220 F221 F222 | F216-L218 HydrophobicContact CD1-CD2 4.14Å; F216-L218 HydrophobicContact CD1-CG 4.35Å; F216-L218 HydrophobicContact CE1-CD2 3.83Å; F216-L218 PolarHBondContact O-N 3.36Å; L218-L220 PolarHBondContact O-N 3.13Å; L218-F221 PolarHBondContact O-N 2.95Å; L218-F222 HydrophobicContact CB-CE2 4.37Å; L218-F222 WeakPolarHBondContact O-CD2 3.5Å | ||
| 219 | G | 43.1 | Very low | 44.6 | Very low | 25 Ų | 25 | 126 Ų | 126 | 26% | 0.258 | 66% | 0.66 | S | S | . | * | G | 310 helix | trans | -55.1 | -35.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D217 F221 F222 D223 | D217-G219 VanDerWaalsContact C-N 3.33Å; D217-G219 PolarHBondContact OD1-N 2.86Å; G219-F221 PolarHBondContact O-N 2.99Å; G219-F222 PolarHBondContact O-N 3.21Å; G219-D223 PolarHBondContact O-N 2.89Å |
| 220 | L | 49.1 | Very low | 45 | Very low | 144 Ų | 144 | 123.1 Ų | 123.1 | 75% | 0.754 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -54.4 | -20.3 | 175.3 | -96.6 | 161.5 | 0 | 0 | 0 | 115.1 | L218 | L218-L220 PolarHBondContact O-N 3.13Š|
| 221 | F | 47.2 | Very low | 45.9 | Very low | 151 Ų | 151 | 121.8 Ų | 121.8 | 66% | 0.662 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -93.1 | -17.6 | 174.7 | -72.5 | -84.4 | 0 | 0 | 0 | 114 | L218 G219 | L218-F221 PolarHBondContact O-N 2.95Å; G219-F221 PolarHBondContact O-N 2.99Å |
| 222 | F | 53 | Low | 46.8 | Very low | 150 Ų | 150 | 120.3 Ų | 120.3 | 66% | 0.658 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | -23.3 | -177.1 | -67.6 | -73.5 | 0 | 0 | 0 | 113.7 | L218 G219 S224 | L218-F222 HydrophobicContact CB-CE2 4.37Å; L218-F222 WeakPolarHBondContact O-CD2 3.5Å; G219-F222 PolarHBondContact O-N 3.21Å; F222-S224 PolarHBondContact O-N 2.88Å |
| 223 | D | 46.7 | Very low | 48.3 | Very low | 143 Ų | 143 | 119.9 Ų | 119.9 | 77% | 0.765 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -73.3 | -3.1 | -179.6 | -74 | -23.2 | 0 | 0 | 0 | 114.8 | G219 P225 | G219-D223 PolarHBondContact O-N 2.89Å; D223-P225 VanDerWaalsContact O-CD 3.31Å; D223-P225 WeakPolarHBondContact O-CD 3.23Å |
| 224 | S | 41.5 | Very low | 49.2 | Very low | 57 Ų | 57 | 117.3 Ų | 117.3 | 40% | 0.399 | 61% | 0.609 | S | S | . | * | trans | -107 | 97.7 | 177 | -173.4 | 0 | 0 | 0 | 0 | 111.5 | F222 L226 F227 | F222-S224 PolarHBondContact O-N 2.88Å; S224-L226 PolarHBondContact O-N 2.7Å; S224-F227 WeakPolarHBondContact O-CD1 3.43Å; S224-F227 WeakPolarHBondContact O-CE1 3.46Å | ||
| 225 | P | 48.2 | Very low | 50.3 | Low | 90 Ų | 90 | 114.5 Ų | 114.5 | 58% | 0.584 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -71.8 | 5.1 | -178.1 | 29.7 | -36.3 | 0 | 0 | 0 | 114.4 | D223 F227 L228 | D223-P225 VanDerWaalsContact O-CD 3.31Å; D223-P225 WeakPolarHBondContact O-CD 3.23Å; P225-F227 PolarHBondContact O-N 2.89Å; P225-F227 VanDerWaalsContact O-N 3.1Å; P225-L228 PolarHBondContact O-N 2.87Å; P225-L228 VanDerWaalsContact O-N 3.1Å |
| 226 | L | 44.1 | Very low | 51.5 | Low | 149 Ų | 149 | 110.7 Ų | 110.7 | 78% | 0.78 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -66.2 | -9.3 | -176.2 | -70.1 | 171.1 | 0 | 0 | 0 | 114.6 | S224 L228 | S224-L226 PolarHBondContact O-N 2.7Å; L226-L228 VanDerWaalsContact C-N 3.33Å |
| 227 | F | 48.9 | Very low | 52.9 | Low | 141 Ų | 141 | 107.5 Ų | 107.5 | 62% | 0.618 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -80 | -10.6 | 172.3 | 67.6 | -95.9 | 0 | 0 | 0 | 113.8 | S224 P225 Y229 | S224-F227 WeakPolarHBondContact O-CD1 3.43Å; S224-F227 WeakPolarHBondContact O-CE1 3.46Å; P225-F227 PolarHBondContact O-N 2.89Å; P225-F227 VanDerWaalsContact O-N 3.1Å; F227-Y229 PolarHBondContact O-N 3.42Å; F227-Y229 VanDerWaalsContact O-N 3.11Å |
| 228 | L | 43.2 | Very low | 54.1 | Low | 85 Ų | 85 | 102.6 Ų | 102.6 | 45% | 0.445 | 53% | 0.528 | S | S | . | . | trans | -84 | 80.4 | 174.9 | -65.4 | 176.6 | 0 | 0 | 0 | 110.6 | P225 L226 F230 | P225-L228 PolarHBondContact O-N 2.87Å; P225-L228 VanDerWaalsContact O-N 3.1Å; L226-L228 VanDerWaalsContact C-N 3.33Å; L228-F230 HydrophobicContact CB-CD2 4.44Å; L228-F230 HydrophobicContact CB-CE2 3.77Å; L228-F230 HydrophobicContact CB-CZ 3.91Å; L228-F230 HydrophobicContact CD1-CZ 4.29Å; L228-F230 WeakPolarHBondContact O-CD2 3.44Å; L228-F230 VanDerWaalsContact O-CE2 3.26Å; L228-F230 WeakPolarHBondContact O-CE2 3.37Å; L228-F230 PolarHBondContact O-N 3.29Å | ||
| 229 | Y | 44.7 | Very low | 55.1 | Low | 208 Ų | 208 | 100.5 Ų | 100.5 | 82% | 0.816 | 52% | 0.517 | S | S | * | . | trans | -74.5 | 104.3 | 167.6 | -113.9 | -96.8 | 0 | 0 | 0 | 109.7 | F227 T231 | F227-Y229 PolarHBondContact O-N 3.42Å; F227-Y229 VanDerWaalsContact O-N 3.11Å; Y229-T231 HydrophobicContact CD1-CG2 4.49Å; Y229-T231 PolarHBondContact O-N 3.34Å | ||
| 230 | F | 46.6 | Very low | 56.6 | Low | 69 Ų | 69 | 103.7 Ų | 103.7 | 30% | 0.303 | 53% | 0.529 | S | S | . | . | trans | -81.5 | 104.4 | 177.4 | -60 | -88.9 | 0 | 0 | 0 | 109.9 | L228 D235 L239 L257 | L228-F230 HydrophobicContact CB-CD2 4.44Å; L228-F230 HydrophobicContact CB-CE2 3.77Å; L228-F230 HydrophobicContact CB-CZ 3.91Å; L228-F230 HydrophobicContact CD1-CZ 4.29Å; L228-F230 WeakPolarHBondContact O-CD2 3.44Å; L228-F230 VanDerWaalsContact O-CE2 3.26Å; L228-F230 WeakPolarHBondContact O-CE2 3.37Å; L228-F230 PolarHBondContact O-N 3.29Å; F230-D235 HydrophobicContact CB-CB 4.16Å; F230-D235 HydrophobicContact CD1-CB 4.02Å; F230-L239 HydrophobicContact CB-CD1 3.88Å; F230-L239 HydrophobicContact CD1-CD1 3.86Å; F230-L239 HydrophobicContact CD2-CD1 3.5Å; F230-L239 VanDerWaalsContact CD2-CD1 3.5Å; F230-L239 HydrophobicContact CE1-CD1 4.19Å; F230-L239 HydrophobicContact CE2-CD1 3.87Å; F230-L239 HydrophobicContact CE2-CD2 4.41Å; F230-L239 HydrophobicContact CG-CD1 3.47Å; F230-L239 VanDerWaalsContact CG-CD1 3.47Å; F230-L239 HydrophobicContact CZ-CD1 4.19Å; F230-L239 HydrophobicContact CZ-CD2 4.27Å; F230-L257 HydrophobicContact CE1-CD1 4.26Å; F230-L257 HydrophobicContact CE1-CD2 4.43Å | ||
| 231 | T | 54.4 | Low | 57.5 | Low | 125 Ų | 125 | 99.4 Ų | 99.4 | 77% | 0.767 | 51% | 0.511 | S | S | * | . | trans | -107.2 | -4.4 | -172.5 | 57.4 | 0 | 0 | 0 | 0 | 114.7 | Y229 | Y229-T231 HydrophobicContact CD1-CG2 4.49Å; Y229-T231 PolarHBondContact O-N 3.34Å | ||
| 232 | D | 65.1 | Low | 58.5 | Low | 86 Ų | 86 | 93.7 Ų | 93.7 | 46% | 0.46 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -95.7 | 140.4 | 178.2 | -161.7 | -45.1 | 0 | 0 | 0 | 110.7 | N234 D235 V236 | D232-N234 PolarHBondContact O-N 2.74Å; D232-N234 WeakPolarHBondContact OD1-CB 3.34Å; D232-N234 PolarHBondContact OD1-N 3.21Å; D232-D235 HydrophobicContact CB-CB 4.1Å; D232-D235 PolarHBondContact O-N 3Å; D232-V236 WeakPolarHBondContact O-CG2 3.39Å; D232-V236 PolarHBondContact O-N 2.98Å |
| 233 | E | 69.7 | Low | 59.3 | Low | 169 Ų | 169 | 94.8 Ų | 94.8 | 79% | 0.79 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59.7 | -33.1 | 172.9 | -63.2 | -174.2 | 156.9 | 0 | 0 | 111.4 | T237 | E233-T237 WeakPolarHBondContact O-CB 3.33Å; E233-T237 PolarHBondContact O-N 3.05Å; E233-T237 PolarHBondContact O-OG1 3.36Å |
| 234 | N | 63.5 | Low | 60.2 | Low | 46 Ų | 46 | 92 Ų | 92 | 25% | 0.246 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -64 | -41.7 | 172.4 | 171.3 | 89.2 | 0 | 0 | 0 | 111.8 | D232 T237 I238 R260 | D232-N234 PolarHBondContact O-N 2.74Å; D232-N234 WeakPolarHBondContact OD1-CB 3.34Å; D232-N234 PolarHBondContact OD1-N 3.21Å; N234-T237 WeakPolarHBondContact O-CB 3.37Å; N234-T237 PolarHBondContact O-N 2.87Å; N234-I238 WeakPolarHBondContact ND2-CD1 3.41Å; N234-I238 WeakPolarHBondContact O-CG1 3.26Å; N234-I238 PolarHBondContact O-N 2.88Å; N234-R260 PolarHBondContact OD1-NH1 2.92Å |
| 235 | D | 67.3 | Low | 61.4 | Low | 42 Ų | 42 | 92.9 Ų | 92.9 | 23% | 0.225 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -70.6 | -40.1 | -179.3 | -71.1 | -1.9 | 0 | 0 | 0 | 111.3 | F230 D232 T237 I238 L239 | F230-D235 HydrophobicContact CB-CB 4.16Å; F230-D235 HydrophobicContact CD1-CB 4.02Å; D232-D235 HydrophobicContact CB-CB 4.1Å; D232-D235 PolarHBondContact O-N 3Å; D235-T237 PolarHBondContact O-N 2.85Å; D235-I238 PolarHBondContact O-N 3.4Å; D235-L239 WeakPolarHBondContact O-CB 3.39Å; D235-L239 WeakPolarHBondContact O-CG 3.34Å; D235-L239 PolarHBondContact O-N 2.94Å |
| 236 | V | 70.1 | Confident | 62.2 | Low | 66 Ų | 66 | 95.8 Ų | 95.8 | 40% | 0.4 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.1 | -35.9 | 170 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | D232 N240 | D232-V236 WeakPolarHBondContact O-CG2 3.39Å; D232-V236 PolarHBondContact O-N 2.98Å; V236-N240 WeakPolarHBondContact O-CB 3.5Å; V236-N240 VanDerWaalsContact O-CG 3.25Å; V236-N240 PolarHBondContact O-N 3.15Å; V236-N240 PolarHBondContact O-ND2 3.29Å |
| 237 | T | 72.3 | Confident | 63.7 | Low | 89 Ų | 89 | 93.4 Ų | 93.4 | 55% | 0.546 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.1 | -44.4 | 175 | -58 | 0 | 0 | 0 | 0 | 111.8 | E233 N234 D235 N240 S241 | E233-T237 WeakPolarHBondContact O-CB 3.33Å; E233-T237 PolarHBondContact O-N 3.05Å; E233-T237 PolarHBondContact O-OG1 3.36Å; N234-T237 WeakPolarHBondContact O-CB 3.37Å; N234-T237 PolarHBondContact O-N 2.87Å; D235-T237 PolarHBondContact O-N 2.85Å; T237-N240 PolarHBondContact O-N 2.88Å; T237-S241 PolarHBondContact O-N 3.29Å |
| 238 | I | 68 | Low | 64.9 | Low | 17 Ų | 17 | 88.4 Ų | 88.4 | 9% | 0.087 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -59.1 | -51 | 174.4 | -68.9 | 167.7 | 0 | 0 | 0 | 109.7 | N234 D235 N240 S241 V242 Q256 L257 | N234-I238 WeakPolarHBondContact ND2-CD1 3.41Å; N234-I238 WeakPolarHBondContact O-CG1 3.26Å; N234-I238 PolarHBondContact O-N 2.88Å; D235-I238 PolarHBondContact O-N 3.4Å; I238-N240 VanDerWaalsContact C-N 3.32Å; I238-N240 PolarHBondContact O-N 2.91Å; I238-S241 PolarHBondContact O-N 3.11Å; I238-S241 VanDerWaalsContact O-N 3.07Å; I238-S241 PolarHBondContact O-OG 3.19Å; I238-V242 HydrophobicContact CG2-CG2 4.38Å; I238-V242 WeakPolarHBondContact O-CG2 3.21Å; I238-V242 PolarHBondContact O-N 3Å; I238-Q256 HydrophobicContact CG2-CB 4.41Å; I238-L257 HydrophobicContact CD1-CD2 4.12Å; I238-L257 HydrophobicContact CG2-CD2 4.07Å |
| 239 | L | 71.3 | Confident | 66.5 | Low | 58 Ų | 58 | 86.7 Ų | 86.7 | 30% | 0.304 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.4 | -39.7 | 176.8 | -77.8 | 170.2 | 0 | 0 | 0 | 113.5 | F230 D235 S241 V242 K243 | F230-L239 HydrophobicContact CB-CD1 3.88Å; F230-L239 HydrophobicContact CD1-CD1 3.86Å; F230-L239 HydrophobicContact CD2-CD1 3.5Å; F230-L239 VanDerWaalsContact CD2-CD1 3.5Å; F230-L239 HydrophobicContact CE1-CD1 4.19Å; F230-L239 HydrophobicContact CE2-CD1 3.87Å; F230-L239 HydrophobicContact CE2-CD2 4.41Å; F230-L239 HydrophobicContact CG-CD1 3.47Å; F230-L239 VanDerWaalsContact CG-CD1 3.47Å; F230-L239 HydrophobicContact CZ-CD1 4.19Å; F230-L239 HydrophobicContact CZ-CD2 4.27Å; D235-L239 WeakPolarHBondContact O-CB 3.39Å; D235-L239 WeakPolarHBondContact O-CG 3.34Å; D235-L239 PolarHBondContact O-N 2.94Å; L239-S241 VanDerWaalsContact C-N 3.34Å; L239-V242 PolarHBondContact O-N 3.48Å; L239-K243 WeakPolarHBondContact O-CB 3.49Å; L239-K243 PolarHBondContact O-N 2.57Å |
| 240 | N | 73.6 | Confident | 67.8 | Low | 93 Ų | 93 | 80.4 Ų | 80.4 | 50% | 0.497 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.7 | -32.9 | 176.5 | -77.4 | -38.6 | 0 | 0 | 0 | 112.2 | V236 T237 I238 A244 | V236-N240 WeakPolarHBondContact O-CB 3.5Å; V236-N240 VanDerWaalsContact O-CG 3.25Å; V236-N240 PolarHBondContact O-N 3.15Å; V236-N240 PolarHBondContact O-ND2 3.29Å; T237-N240 PolarHBondContact O-N 2.88Å; I238-N240 VanDerWaalsContact C-N 3.32Å; I238-N240 PolarHBondContact O-N 2.91Å; N240-A244 PolarHBondContact O-N 3.47Å |
| 241 | S | 67.7 | Low | 69 | Low | 53 Ų | 53 | 80.5 Ų | 80.5 | 37% | 0.371 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69.7 | -44.2 | 172.7 | 69.9 | 0 | 0 | 0 | 0 | 112.3 | T237 I238 L239 K243 A244 D245 | T237-S241 PolarHBondContact O-N 3.29Å; I238-S241 PolarHBondContact O-N 3.11Å; I238-S241 VanDerWaalsContact O-N 3.07Å; I238-S241 PolarHBondContact O-OG 3.19Å; L239-S241 VanDerWaalsContact C-N 3.34Å; S241-K243 VanDerWaalsContact C-N 3.32Å; S241-K243 PolarHBondContact O-N 3.17Å; S241-A244 WeakPolarHBondContact O-CB 3.33Å; S241-A244 PolarHBondContact O-N 3.22Å; S241-D245 PolarHBondContact O-N 2.92Å |
| 242 | V | 69.2 | Low | 69.9 | Low | 32 Ų | 32 | 78.5 Ų | 78.5 | 19% | 0.194 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 172.7 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | I238 L239 A244 D245 I248 L253 | I238-V242 HydrophobicContact CG2-CG2 4.38Å; I238-V242 WeakPolarHBondContact O-CG2 3.21Å; I238-V242 PolarHBondContact O-N 3Å; L239-V242 PolarHBondContact O-N 3.48Å; V242-A244 PolarHBondContact O-N 3.44Å; V242-D245 CarbonylContact O-C 3.56Å; V242-D245 PolarHBondContact O-N 3.3Å; V242-D245 VanDerWaalsContact O-N 3.1Å; V242-I248 HydrophobicContact CG2-CD1 4.01Å; V242-I248 HydrophobicContact CG2-CG2 4.3Å; V242-L253 HydrophobicContact CB-CD1 4.31Å; V242-L253 HydrophobicContact CG1-CD1 3.67Å; V242-L253 HydrophobicContact CG2-CD1 3.81Å; V242-L253 HydrophobicContact CG2-CG 4.36Å |
| 243 | K | 68.7 | Low | 70.3 | Confident | 173 Ų | 173 | 76.5 Ų | 76.5 | 75% | 0.752 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -67.3 | -18.7 | 177.2 | -174.2 | 176.6 | 176.9 | -175.6 | 0 | 113.3 | L239 S241 | L239-K243 WeakPolarHBondContact O-CB 3.49Å; L239-K243 PolarHBondContact O-N 2.57Å; S241-K243 VanDerWaalsContact C-N 3.32Å; S241-K243 PolarHBondContact O-N 3.17Å |
| 244 | A | 67 | Low | 70.4 | Confident | 85 Ų | 85 | 76 Ų | 76 | 70% | 0.702 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -90.3 | -21.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | N240 S241 V242 | N240-A244 PolarHBondContact O-N 3.47Å; S241-A244 WeakPolarHBondContact O-CB 3.33Å; S241-A244 PolarHBondContact O-N 3.22Å; V242-A244 PolarHBondContact O-N 3.44Å |
| 245 | D | 65.7 | Low | 70.8 | Confident | 75 Ų | 75 | 79.8 Ų | 79.8 | 40% | 0.401 | 45% | 0.45 | S | S | . | . | trans | -122.4 | 90 | -172.8 | -158.1 | -19.3 | 0 | 0 | 0 | 112.1 | S241 V242 S247 I248 | S241-D245 PolarHBondContact O-N 2.92Å; V242-D245 CarbonylContact O-C 3.56Å; V242-D245 PolarHBondContact O-N 3.3Å; V242-D245 VanDerWaalsContact O-N 3.1Å; D245-S247 PolarHBondContact O-N 3.05Å; D245-S247 WeakPolarHBondContact OD1-CB 3.36Å; D245-S247 PolarHBondContact OD1-N 2.99Å; D245-S247 PolarHBondContact OD1-OG 3.4Å; D245-I248 HydrophobicContact CB-CD1 4.3Å; D245-I248 HydrophobicContact CB-CG1 4.42Å; D245-I248 PolarHBondContact O-N 3.19Å | ||
| 246 | V | 64.6 | Low | 70.9 | Confident | 150 Ų | 150 | 80.8 Ų | 80.8 | 91% | 0.909 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -8.4 | 179.9 | -171.8 | 0 | 0 | 0 | 0 | 112.6 | ||
| 247 | S | 77.2 | Confident | 70.9 | Confident | 100 Ų | 100 | 79.9 Ų | 79.9 | 70% | 0.699 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -23.1 | 179.6 | -34.8 | 0 | 0 | 0 | 0 | 114.4 | D245 S249 | D245-S247 PolarHBondContact O-N 3.05Å; D245-S247 WeakPolarHBondContact OD1-CB 3.36Å; D245-S247 PolarHBondContact OD1-N 2.99Å; D245-S247 PolarHBondContact OD1-OG 3.4Å; S247-S249 PolarHBondContact O-N 2.77Å |
| 248 | I | 73 | Confident | 70.7 | Confident | 36 Ų | 36 | 83.8 Ų | 83.8 | 19% | 0.185 | 45% | 0.452 | C | S | . | . | trans | -69.6 | 124.5 | -165.8 | -74.7 | 178.4 | 0 | 0 | 0 | 112 | V242 D245 E252 L253 | V242-I248 HydrophobicContact CG2-CD1 4.01Å; V242-I248 HydrophobicContact CG2-CG2 4.3Å; D245-I248 HydrophobicContact CB-CD1 4.3Å; D245-I248 HydrophobicContact CB-CG1 4.42Å; D245-I248 PolarHBondContact O-N 3.19Å; I248-E252 HydrophobicContact CG2-CB 4.3Å; I248-E252 HydrophobicContact CG2-CG 4.28Å; I248-L253 HydrophobicContact CG2-CB 3.98Å | ||
| 249 | S | 76.6 | Confident | 70.5 | Confident | 49 Ų | 49 | 86.6 Ų | 86.6 | 34% | 0.343 | 47% | 0.473 | S | S | . | . | trans | -73.8 | 149.8 | 176.5 | 69.5 | 0 | 0 | 0 | 0 | 112.1 | S247 S251 E252 L253 | S247-S249 PolarHBondContact O-N 2.77Å; S249-S251 WeakPolarHBondContact CB-OG 3.24Å; S249-S251 PolarHBondContact O-N 3.44Å; S249-S251 PolarHBondContact OG-OG 2.87Å; S249-E252 WeakPolarHBondContact O-CB 3.25Å; S249-E252 PolarHBondContact O-N 3.27Å; S249-E252 WeakPolarHBondContact OG-CB 3.2Å; S249-E252 PolarHBondContact OG-N 2.91Å; S249-E252 VanDerWaalsContact OG-N 3.13Å; S249-L253 PolarHBondContact O-N 3.32Å | ||
| 250 | S | 72.1 | Confident | 69.6 | Low | 76 Ų | 76 | 92 Ų | 92 | 53% | 0.531 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.9 | -32.6 | 175.5 | -170.4 | 0 | 0 | 0 | 0 | 112.5 | R254 | S250-R254 WeakPolarHBondContact O-CB 3.25Å; S250-R254 WeakPolarHBondContact O-CD 3.32Å; S250-R254 WeakPolarHBondContact O-CG 3.19Å; S250-R254 PolarHBondContact O-N 3.45Å |
| 251 | S | 72.7 | Confident | 68.4 | Low | 71 Ų | 71 | 93.1 Ų | 93.1 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 171.6 | 30.5 | 0 | 0 | 0 | 0 | 113.2 | S249 Q255 | S249-S251 WeakPolarHBondContact CB-OG 3.24Å; S249-S251 PolarHBondContact O-N 3.44Å; S249-S251 PolarHBondContact OG-OG 2.87Å; S251-Q255 WeakPolarHBondContact O-CG 3.5Å; S251-Q255 PolarHBondContact O-N 3.31Å |
| 252 | E | 72.5 | Confident | 67.3 | Low | 83 Ų | 83 | 94.8 Ų | 94.8 | 39% | 0.388 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -73 | -40 | 179.6 | 178 | 174.2 | -160.2 | 0 | 0 | 111.6 | I248 S249 R254 Q255 Q256 | I248-E252 HydrophobicContact CG2-CB 4.3Å; I248-E252 HydrophobicContact CG2-CG 4.28Å; S249-E252 WeakPolarHBondContact O-CB 3.25Å; S249-E252 PolarHBondContact O-N 3.27Å; S249-E252 WeakPolarHBondContact OG-CB 3.2Å; S249-E252 PolarHBondContact OG-N 2.91Å; S249-E252 VanDerWaalsContact OG-N 3.13Å; E252-R254 VanDerWaalsContact C-N 3.34Å; E252-R254 PolarHBondContact O-N 2.89Å; E252-Q255 CarbonylContact O-C 3.41Å; E252-Q255 WeakPolarHBondContact O-CA 3.26Å; E252-Q255 WeakPolarHBondContact O-CB 3.25Å; E252-Q255 PolarHBondContact O-N 3.43Å; E252-Q255 VanDerWaalsContact O-N 3.11Å; E252-Q256 WeakPolarHBondContact O-CG 3.13Å; E252-Q256 PolarHBondContact O-N 2.71Å |
| 253 | L | 74 | Confident | 65.9 | Low | 43 Ų | 43 | 100 Ų | 100 | 23% | 0.225 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -58 | -45.2 | 171.3 | -176.9 | 148.2 | 0 | 0 | 0 | 111.7 | V242 I248 S249 Q255 Q256 L257 | V242-L253 HydrophobicContact CB-CD1 4.31Å; V242-L253 HydrophobicContact CG1-CD1 3.67Å; V242-L253 HydrophobicContact CG2-CD1 3.81Å; V242-L253 HydrophobicContact CG2-CG 4.36Å; I248-L253 HydrophobicContact CG2-CB 3.98Å; S249-L253 PolarHBondContact O-N 3.32Å; L253-Q255 VanDerWaalsContact C-N 3.33Å; L253-Q255 PolarHBondContact O-N 3.48Å; L253-Q256 PolarHBondContact O-N 2.88Å; L253-L257 HydrophobicContact CD2-CD1 3.64Å; L253-L257 HydrophobicContact CD2-CG 4.47Å; L253-L257 HydrophobicContact CG-CD1 4.48Å; L253-L257 WeakPolarHBondContact O-CG 3.4Å; L253-L257 PolarHBondContact O-N 3.26Å |
| 254 | R | 71.6 | Confident | 64.4 | Low | 158 Ų | 158 | 96.7 Ų | 96.7 | 60% | 0.596 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.8 | -40.7 | 173.7 | -71.8 | 168.8 | -169.3 | -131 | 2.2 | 111.4 | S250 E252 L257 Y258 | S250-R254 WeakPolarHBondContact O-CB 3.25Å; S250-R254 WeakPolarHBondContact O-CD 3.32Å; S250-R254 WeakPolarHBondContact O-CG 3.19Å; S250-R254 PolarHBondContact O-N 3.45Å; E252-R254 VanDerWaalsContact C-N 3.34Å; E252-R254 PolarHBondContact O-N 2.89Å; R254-L257 PolarHBondContact O-N 2.85Å; R254-Y258 HydrophobicContact CB-CD2 4.36Å; R254-Y258 WeakPolarHBondContact O-CB 3.27Å; R254-Y258 WeakPolarHBondContact O-CD2 3.41Å; R254-Y258 PolarHBondContact O-N 3.48Å |
| 255 | Q | 71.7 | Confident | 62.8 | Low | 126 Ų | 126 | 98 Ų | 98 | 59% | 0.589 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.1 | -47 | 174.2 | -73.7 | 176.4 | 13 | 0 | 0 | 111.5 | S251 E252 L253 L257 Y258 S259 | S251-Q255 WeakPolarHBondContact O-CG 3.5Å; S251-Q255 PolarHBondContact O-N 3.31Å; E252-Q255 CarbonylContact O-C 3.41Å; E252-Q255 WeakPolarHBondContact O-CA 3.26Å; E252-Q255 WeakPolarHBondContact O-CB 3.25Å; E252-Q255 PolarHBondContact O-N 3.43Å; E252-Q255 VanDerWaalsContact O-N 3.11Å; L253-Q255 VanDerWaalsContact C-N 3.33Å; L253-Q255 PolarHBondContact O-N 3.48Å; Q255-L257 VanDerWaalsContact C-N 3.31Å; Q255-L257 PolarHBondContact O-N 2.92Å; Q255-Y258 PolarHBondContact O-N 2.74Å; Q255-S259 WeakPolarHBondContact O-CB 3.46Å; Q255-S259 PolarHBondContact O-N 3.07Å; Q255-S259 PolarHBondContact O-OG 2.83Å |
| 256 | Q | 70.1 | Confident | 61.6 | Low | 63 Ų | 63 | 99.8 Ų | 99.8 | 29% | 0.294 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -59.6 | -39.7 | 178.6 | -69 | -178.9 | 20.6 | 0 | 0 | 112.6 | I238 E252 L253 | I238-Q256 HydrophobicContact CG2-CB 4.41Å; E252-Q256 WeakPolarHBondContact O-CG 3.13Å; E252-Q256 PolarHBondContact O-N 2.71Å; L253-Q256 PolarHBondContact O-N 2.88Å |
| 257 | L | 69.8 | Low | 60 | Low | 47 Ų | 47 | 96.6 Ų | 96.6 | 25% | 0.246 | 56% | 0.556 | C | S | . | * | H | α-helix | trans | -71.2 | -33.9 | 176 | -69 | 174 | 0 | 0 | 0 | 113.9 | F230 I238 L253 R254 Q255 | F230-L257 HydrophobicContact CE1-CD1 4.26Å; F230-L257 HydrophobicContact CE1-CD2 4.43Å; I238-L257 HydrophobicContact CD1-CD2 4.12Å; I238-L257 HydrophobicContact CG2-CD2 4.07Å; L253-L257 HydrophobicContact CD2-CD1 3.64Å; L253-L257 HydrophobicContact CD2-CG 4.47Å; L253-L257 HydrophobicContact CG-CD1 4.48Å; L253-L257 WeakPolarHBondContact O-CG 3.4Å; L253-L257 PolarHBondContact O-N 3.26Å; R254-L257 PolarHBondContact O-N 2.85Å; Q255-L257 VanDerWaalsContact C-N 3.31Å; Q255-L257 PolarHBondContact O-N 2.92Å |
| 258 | Y | 67.4 | Low | 58.1 | Low | 172 Ų | 172 | 96 Ų | 96 | 68% | 0.675 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -103.9 | -19.3 | -173.8 | -65.6 | -56.7 | 0 | 0 | 0 | 115.6 | R254 Q255 R260 | R254-Y258 HydrophobicContact CB-CD2 4.36Å; R254-Y258 WeakPolarHBondContact O-CB 3.27Å; R254-Y258 WeakPolarHBondContact O-CD2 3.41Å; R254-Y258 PolarHBondContact O-N 3.48Å; Q255-Y258 PolarHBondContact O-N 2.74Å; Y258-R260 VanDerWaalsContact C-N 3.3Å; Y258-R260 PolarHBondContact O-N 3.18Å |
| 259 | S | 64.7 | Low | 56.2 | Low | 76 Ų | 76 | 97.7 Ų | 97.7 | 53% | 0.531 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -77.9 | -9.1 | -177.5 | -67.6 | 0 | 0 | 0 | 0 | 114.3 | Q255 S261 | Q255-S259 WeakPolarHBondContact O-CB 3.46Å; Q255-S259 PolarHBondContact O-N 3.07Å; Q255-S259 PolarHBondContact O-OG 2.83Å; S259-S261 PolarHBondContact O-N 3Å |
| 260 | R | 52.3 | Low | 54.1 | Low | 172 Ų | 172 | 104.4 Ų | 104.4 | 65% | 0.649 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 41.3 | -168.2 | -143.5 | 176.2 | -164 | -166.9 | 4.4 | 115.3 | N234 Y258 | N234-R260 PolarHBondContact OD1-NH1 2.92Å; Y258-R260 VanDerWaalsContact C-N 3.3Å; Y258-R260 PolarHBondContact O-N 3.18Å |
| 261 | S | 47.7 | Very low | 52.3 | Low | 116 Ų | 116 | 104.3 Ų | 104.3 | 81% | 0.811 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | 1.2 | 175.6 | 65.5 | 0 | 0 | 0 | 0 | 115.4 | S259 | S259-S261 PolarHBondContact O-N 3Š|
| 262 | S | 44.5 | Very low | 50.5 | Low | 87 Ų | 87 | 109.4 Ų | 109.4 | 61% | 0.608 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -127.4 | -18 | -166.7 | 56.8 | 0 | 0 | 0 | 0 | 117.4 | ||
| 263 | N | 39.3 | Very low | 49 | Very low | 142 Ų | 142 | 109.9 Ų | 109.9 | 76% | 0.759 | 65% | 0.654 | S | S | * | * | trans | -139.3 | 45.2 | -168.9 | -85.1 | -40.2 | 0 | 0 | 0 | 114.4 | S265 | N263-S265 VanDerWaalsContact C-N 3.26Å; N263-S265 PolarHBondContact O-N 2.79Å | ||
| 264 | S | 37.1 | Very low | 47.3 | Very low | 103 Ų | 103 | 112.7 Ų | 112.7 | 72% | 0.72 | 68% | 0.678 | S | S | * | * | trans | -86.9 | 45 | 176.3 | 68.4 | 0 | 0 | 0 | 0 | 113.8 | V266 | S264-V266 PolarHBondContact O-N 2.7Š| ||
| 265 | S | 33.3 | Very low | 46 | Very low | 112 Ų | 112 | 113.8 Ų | 113.8 | 78% | 0.783 | 69% | 0.69 | S | S | * | * | trans | -77.8 | 66.5 | 169.4 | 62.8 | 0 | 0 | 0 | 0 | 110.5 | N263 G267 | N263-S265 VanDerWaalsContact C-N 3.26Å; N263-S265 PolarHBondContact O-N 2.79Å; S265-G267 PolarHBondContact O-N 3.15Å | ||
| 266 | V | 41.5 | Very low | 44.5 | Very low | 113 Ų | 113 | 114.6 Ų | 114.6 | 69% | 0.685 | 70% | 0.698 | S | S | * | * | trans | -74.8 | 89.5 | 180 | -178 | 0 | 0 | 0 | 0 | 109.4 | S264 A268 | S264-V266 PolarHBondContact O-N 2.7Å; V266-A268 HydrophobicContact CG1-CB 4.11Å; V266-A268 PolarHBondContact O-N 2.85Å | ||
| 267 | G | 30.9 | Very low | 43.1 | Very low | 83 Ų | 83 | 116.7 Ų | 116.7 | 86% | 0.856 | 72% | 0.718 | S | S | * | * | trans | -71.4 | 88.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | S265 | S265-G267 PolarHBondContact O-N 3.15Š| ||
| 268 | A | 37.4 | Very low | 41.8 | Very low | 89 Ų | 89 | 120.5 Ų | 120.5 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | trans | -145.4 | 119.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | V266 | V266-A268 HydrophobicContact CG1-CB 4.11Å; V266-A268 PolarHBondContact O-N 2.85Å | ||
| 269 | G | 33.3 | Very low | 40.6 | Very low | 71 Ų | 71 | 117 Ų | 117 | 73% | 0.732 | 74% | 0.744 | S | S | * | * | cis | -170.7 | 153.8 | -10.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | G271 | G269-G271 PolarHBondContact O-N 3.32Š| ||
| 270 | H | 31.6 | Very low | 39.5 | Very low | 189 Ų | 189 | 118.8 Ų | 118.8 | 88% | 0.875 | 76% | 0.757 | S | S | * | * | trans | -69.9 | 94 | 176.1 | -98.4 | -78.7 | 0 | 0 | 0 | 110.3 | ||||
| 271 | G | 35.5 | Very low | 39.2 | Very low | 75 Ų | 75 | 119.3 Ų | 119.3 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | -103.4 | 88.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | G269 A273 | G269-G271 PolarHBondContact O-N 3.32Å; G271-A273 PolarHBondContact O-N 3.41Å | ||
| 272 | E | 34.7 | Very low | 39.1 | Very low | 177 Ų | 177 | 122.1 Ų | 122.1 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | trans | -77.1 | 112.4 | 177.8 | -65.2 | -175.3 | 149.6 | 0 | 0 | 111.1 | ||||
| 273 | A | 40.8 | Very low | 39.3 | Very low | 93 Ų | 93 | 122.5 Ų | 122.5 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | -117.2 | 107.8 | 150.8 | 0 | 0 | 0 | 0 | 0 | 105.7 | G271 | G271-A273 PolarHBondContact O-N 3.41Š| ||
| 274 | S | 37.8 | Very low | 39.7 | Very low | 102 Ų | 102 | 122.8 Ų | 122.8 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | 60.7 | 81.5 | 71.4 | -173.4 | 0 | 0 | 0 | 0 | 112 | |||||
| 275 | E | 44.2 | Very low | 40.2 | Very low | 182 Ų | 182 | 126.9 Ų | 126.9 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | -169.1 | 157.2 | 113.5 | -99 | 162.8 | -172.4 | 0 | 0 | 112.2 | |||||
| 276 | D | 40 | Very low | 40.6 | Very low | 142 Ų | 142 | 125.4 Ų | 125.4 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | trans | 54.1 | 96.9 | 169.3 | -77.2 | -27.4 | 0 | 0 | 0 | 124 | ||||
| 277 | C | 41.2 | Very low | 40.7 | Very low | 108 Ų | 108 | 125.4 Ų | 125.4 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | 58.3 | 117.4 | 109.8 | -60.2 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 278 | V | 42.7 | Very low | 41.1 | Very low | 127 Ų | 127 | 126.2 Ų | 126.2 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | 157.6 | 131.2 | 107.1 | 166.8 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 279 | S | 42.8 | Very low | 41.4 | Very low | 99 Ų | 99 | 127.7 Ų | 127.7 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | trans | 57 | 121 | 167.8 | 64.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 280 | S | 40.9 | Very low | 41.7 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | cis | 85.8 | 91.4 | 38.6 | 82.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 281 | H | 46.1 | Very low | 42.4 | Very low | 182 Ų | 182 | 132.1 Ų | 132.1 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | -151.5 | 146.5 | 132.4 | -149.8 | -77.9 | 0 | 0 | 0 | 110.9 | ||||
| 282 | E | 44.9 | Very low | 42.7 | Very low | 176 Ų | 176 | 133.2 Ų | 133.2 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | -96.9 | -174.6 | 179.5 | -61.7 | 168.4 | 109.7 | 0 | 0 | 111.7 | ||||
| 283 | S | 49.6 | Very low | 43 | Very low | 95 Ų | 95 | 130.3 Ų | 130.3 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | trans | 79.7 | 141.4 | 172.6 | 78.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 284 | D | 47.7 | Very low | 42.9 | Very low | 148 Ų | 148 | 132 Ų | 132 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | cis | -160.7 | -178.1 | -21.6 | -119.7 | -43.2 | 0 | 0 | 0 | 112.8 | ||||
| 285 | E | 46.4 | Very low | 42.8 | Very low | 189 Ų | 189 | 131.8 Ų | 131.8 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -31.9 | 142.6 | 175.6 | -51.8 | -174.6 | 130.4 | 0 | 0 | 118.1 | ||||
| 286 | G | 41.8 | Very low | 42.6 | Very low | 80 Ų | 80 | 131.2 Ų | 131.2 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -165.2 | 100.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 287 | S | 44.3 | Very low | 42.3 | Very low | 113 Ų | 113 | 131 Ų | 131 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -87 | 139.8 | -171.5 | -161.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 288 | S | 39.8 | Very low | 41.9 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | trans | 24.9 | 124.2 | 145.1 | 64.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 289 | S | 43.1 | Very low | 41.4 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | -158.6 | 142 | 134.7 | 50.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 290 | D | 40.6 | Very low | 41 | Very low | 157 Ų | 157 | 135.8 Ų | 135.8 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | -74.5 | 148.5 | -177.6 | -54.7 | -88 | 0 | 0 | 0 | 113.8 | ||||
| 291 | K | 45.6 | Very low | 40.7 | Very low | 197 Ų | 197 | 138.3 Ų | 138.3 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | trans | -157.8 | 101.5 | 147.6 | -115.9 | 156 | -170.8 | 168.7 | 0 | 115.8 | ||||
| 292 | S | 41.7 | Very low | 40.1 | Very low | 97 Ų | 97 | 136.3 Ų | 136.3 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | trans | 56.4 | 104.7 | 133.1 | 63.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 293 | S | 41.3 | Very low | 39.5 | Very low | 116 Ų | 116 | 134.4 Ų | 134.4 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | 66.5 | 114.2 | 122.9 | 67.9 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 294 | S | 39 | Very low | 38.7 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | -136.8 | 158 | 104.9 | 63.1 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 295 | S | 35 | Very low | 38 | Very low | 98 Ų | 98 | 136.1 Ų | 136.1 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | trans | -133.4 | 160.5 | 179.5 | 66.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 296 | I | 39.9 | Very low | 37.4 | Very low | 170 Ų | 170 | 133.5 Ų | 133.5 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | trans | -164.5 | 143.3 | 140.8 | -100.9 | 153.3 | 0 | 0 | 0 | 107.2 | ||||
| 297 | D | 34.9 | Very low | 37.1 | Very low | 138 Ų | 138 | 134.1 Ų | 134.1 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | trans | -96.8 | 156.6 | -150 | -62 | -84 | 0 | 0 | 0 | 116.9 | ||||
| 298 | Y | 32.1 | Very low | 36.8 | Very low | 215 Ų | 215 | 134.6 Ų | 134.6 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -69.8 | 135.8 | 159.7 | -104.3 | -105.7 | 0 | 0 | 0 | 110.8 | ||||
| 299 | V | 32.7 | Very low | 36.4 | Very low | 133 Ų | 133 | 134 Ų | 134 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | trans | -140.4 | 112.1 | 149.6 | -176.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 300 | S | 32.8 | Very low | 36.1 | Very low | 86 Ų | 86 | 135.2 Ų | 135.2 | 60% | 0.601 | 80% | 0.795 | S | S | * | * | trans | -101.2 | 133.8 | 164.1 | -54.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 301 | Q | 34.6 | Very low | 35.7 | Very low | 167 Ų | 167 | 133.7 Ų | 133.7 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | trans | -167 | 106.6 | 157.4 | -113.1 | 147.7 | 85.8 | 0 | 0 | 115.7 | ||||
| 302 | N | 34 | Very low | 35.4 | Very low | 140 Ų | 140 | 131.8 Ų | 131.8 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | 49.3 | 102.4 | 124.7 | -50.4 | -8.3 | 0 | 0 | 0 | 121.4 | |||||
| 303 | V | 31.9 | Very low | 35.1 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | 25.6 | 123 | 110.3 | -177.7 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 304 | P | 33.6 | Very low | 35 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | -152.2 | 170.7 | 75.5 | 42.2 | -23 | 0 | 0 | 0 | 120.4 | |||||
| 305 | L | 32.3 | Very low | 34.8 | Very low | 161 Ų | 161 | 134.9 Ų | 134.9 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | -38.4 | 142.9 | 169.2 | -63.1 | 145.3 | 0 | 0 | 0 | 117.7 | ||||
| 306 | S | 35.5 | Very low | 34.6 | Very low | 133 Ų | 133 | 135 Ų | 135 | 93% | 0.93 | 78% | 0.78 | S | S | * | * | trans | -169.2 | 145 | 133.1 | -81.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 307 | A | 34.1 | Very low | 34.4 | Very low | 94 Ų | 94 | 132.2 Ų | 132.2 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | trans | -118.2 | 160.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 308 | P | 37.8 | Very low | 34.1 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | -131.5 | 137 | 118.9 | 35 | -25.6 | 0 | 0 | 0 | 111 | |||||
| 309 | A | 31.8 | Very low | 34 | Very low | 88 Ų | 88 | 129.2 Ų | 129.2 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | cis | 89.2 | 145.8 | 49.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 310 | V | 37.4 | Very low | 33.7 | Very low | 146 Ų | 146 | 128 Ų | 128 | 89% | 0.885 | 77% | 0.774 | S | S | * | * | trans | 77.9 | 130.9 | -177.8 | -172.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 311 | D | 31.2 | Very low | 33.6 | Very low | 124 Ų | 124 | 130.2 Ų | 130.2 | 66% | 0.663 | 78% | 0.779 | S | S | * | * | cis | -131 | 167.5 | -4.5 | -163.6 | 21.2 | 0 | 0 | 0 | 112.1 | N313 | D311-N313 PolarHBondContact OD2-ND2 2.83Š| ||
| 312 | I | 39.5 | Very low | 33.4 | Very low | 157 Ų | 157 | 130.3 Ų | 130.3 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | trans | -130.6 | 81.7 | -174.1 | -47.5 | 172.1 | 0 | 0 | 0 | 110.4 | ||||
| 313 | N | 36.5 | Very low | 33.7 | Very low | 119 Ų | 119 | 130.1 Ų | 130.1 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | trans | -140.5 | 151.9 | 173.2 | -73.7 | -70.7 | 0 | 0 | 0 | 109.3 | D311 | D311-N313 PolarHBondContact OD2-ND2 2.83Š| ||
| 314 | D | 38.6 | Very low | 33.9 | Very low | 158 Ų | 158 | 129.8 Ų | 129.8 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | trans | 61.6 | 94.5 | -170.4 | -59.2 | -15.6 | 0 | 0 | 0 | 114.1 | ||||
| 315 | V | 34.7 | Very low | 34.6 | Very low | 130 Ų | 130 | 127.6 Ų | 127.6 | 79% | 0.788 | 77% | 0.766 | S | S | * | * | cis | 69.9 | 127.7 | 17.1 | -179.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 316 | S | 31.1 | Very low | 35.2 | Very low | 101 Ų | 101 | 126.3 Ų | 126.3 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | cis | -160.7 | -134.6 | -15.3 | -158.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 317 | P | 35.6 | Very low | 35.7 | Very low | 110 Ų | 110 | 125.3 Ų | 125.3 | 71% | 0.714 | 75% | 0.748 | S | S | * | * | -135.9 | 119 | -111.4 | 39.5 | -18.7 | 0 | 0 | 0 | 119.1 | |||||
| 318 | E | 29.2 | Very low | 36.3 | Very low | 202 Ų | 202 | 126.3 Ų | 126.3 | 94% | 0.944 | 74% | 0.741 | S | S | * | * | trans | -148.2 | 142.5 | 162.7 | -63.4 | -171.8 | 173.2 | 0 | 0 | 108.8 | ||||
| 319 | A | 29.8 | Very low | 36.5 | Very low | 89 Ų | 89 | 127.7 Ų | 127.7 | 74% | 0.736 | 73% | 0.731 | S | S | * | * | cis | -148.1 | 148.4 | -7.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 320 | S | 26.3 | Very low | 37.1 | Very low | 106 Ų | 106 | 129.1 Ų | 129.1 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | 37.7 | 124.3 | 92.4 | 166.2 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 321 | L | 30.2 | Very low | 37.3 | Very low | 133 Ų | 133 | 127.7 Ų | 127.7 | 70% | 0.696 | 71% | 0.714 | S | S | * | * | cis | -157.4 | 140.4 | 39.7 | -173.7 | 71.5 | 0 | 0 | 0 | 111.3 | I323 | L321-I323 HydrophobicContact CD2-CD1 3.89Å; L321-I323 HydrophobicContact CD2-CG1 3.71Å; L321-I323 HydrophobicContact CG-CG1 4.1Å | ||
| 322 | I | 30.7 | Very low | 37.9 | Very low | 170 Ų | 170 | 127.3 Ų | 127.3 | 87% | 0.872 | 72% | 0.715 | S | S | * | * | trans | -104.2 | 123.4 | 164.7 | -60.8 | 177.6 | 0 | 0 | 0 | 108.2 | ||||
| 323 | I | 40.1 | Very low | 37.9 | Very low | 135 Ų | 135 | 126.7 Ų | 126.7 | 69% | 0.692 | 71% | 0.707 | S | S | * | * | trans | -103.2 | 128.7 | 171.6 | -59.7 | 178.7 | 0 | 0 | 0 | 107.8 | L321 A325 | L321-I323 HydrophobicContact CD2-CD1 3.89Å; L321-I323 HydrophobicContact CD2-CG1 3.71Å; L321-I323 HydrophobicContact CG-CG1 4.1Å; I323-A325 PolarHBondContact O-N 3.49Å | ||
| 324 | D | 35.8 | Very low | 38 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 69% | 0.69 | 72% | 0.72 | S | S | * | * | trans | -75.7 | 119.4 | 177.3 | -168.9 | -18.9 | 0 | 0 | 0 | 110.2 | D326 | D324-D326 PolarHBondContact OD1-N 3.17Š| ||
| 325 | A | 48.8 | Very low | 37.7 | Very low | 72 Ų | 72 | 128.8 Ų | 128.8 | 60% | 0.595 | 71% | 0.707 | S | S | * | * | trans | -101.2 | -7.3 | -167.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | I323 T327 | I323-A325 PolarHBondContact O-N 3.49Å; A325-T327 PolarHBondContact O-N 2.9Å | ||
| 326 | D | 44.8 | Very low | 37.8 | Very low | 135 Ų | 135 | 127.4 Ų | 127.4 | 72% | 0.722 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -13.9 | -167 | -82.9 | -3.5 | 0 | 0 | 0 | 114.5 | D324 | D324-D326 PolarHBondContact OD1-N 3.17Š|
| 327 | T | 45.4 | Very low | 38.2 | Very low | 111 Ų | 111 | 132.6 Ų | 132.6 | 68% | 0.681 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -37.7 | -173 | -55.4 | 0 | 0 | 0 | 0 | 113.9 | A325 | A325-T327 PolarHBondContact O-N 2.9Š|
| 328 | D | 47.7 | Very low | 38.3 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 62% | 0.62 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -26.6 | -170.2 | -87.5 | -37 | 0 | 0 | 0 | 114.9 | N330 N331 | D328-N330 PolarHBondContact O-N 3.19Å; D328-N331 PolarHBondContact O-N 3.03Å; D328-N331 VanDerWaalsContact O-N 3.07Å |
| 329 | Y | 41.9 | Very low | 39.1 | Very low | 151 Ų | 151 | 126.5 Ų | 126.5 | 59% | 0.592 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -57.2 | -30.5 | -172.3 | -172.7 | -99.5 | 0 | 0 | 0 | 113.9 | K333 | Y329-K333 HydrophobicContact CE1-CD 4.25Å; Y329-K333 PolarHBondContact OH-NZ 3Å |
| 330 | N | 42.9 | Very low | 39.8 | Very low | 118 Ų | 118 | 129 Ų | 129 | 63% | 0.631 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -77.4 | -22.6 | -178 | -71.9 | -62.2 | 0 | 0 | 0 | 114.3 | D328 | D328-N330 PolarHBondContact O-N 3.19Å |
| 331 | N | 43 | Very low | 40.8 | Very low | 116 Ų | 116 | 129 Ų | 129 | 62% | 0.62 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -83.9 | -36.2 | -177.9 | -72.2 | -38 | 0 | 0 | 0 | 112.5 | D328 K333 | D328-N331 PolarHBondContact O-N 3.03Å; D328-N331 VanDerWaalsContact O-N 3.07Å; N331-K333 VanDerWaalsContact C-N 3.27Å; N331-K333 PolarHBondContact O-N 3.11Å |
| 332 | V | 42.8 | Very low | 41.4 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 70% | 0.697 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -65.8 | -29.7 | -177.6 | -177.8 | 0 | 0 | 0 | 0 | 112.2 | R334 | V332-R334 VanDerWaalsContact C-N 3.31Å; V332-R334 PolarHBondContact O-N 3.47Å |
| 333 | K | 40.2 | Very low | 42 | Very low | 145 Ų | 145 | 132.7 Ų | 132.7 | 63% | 0.63 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | 14.1 | -164.9 | -152.1 | 166.2 | -173.6 | 167.4 | 0 | 115.7 | Y329 N331 | Y329-K333 HydrophobicContact CE1-CD 4.25Å; Y329-K333 PolarHBondContact OH-NZ 3Å; N331-K333 VanDerWaalsContact C-N 3.27Å; N331-K333 PolarHBondContact O-N 3.11Å |
| 334 | R | 38.1 | Very low | 42.5 | Very low | 238 Ų | 238 | 130 Ų | 130 | 90% | 0.898 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.9 | 7.7 | -172.1 | -95.3 | -176.8 | 170.8 | 168.4 | -1.7 | 116.9 | V332 | V332-R334 VanDerWaalsContact C-N 3.31Å; V332-R334 PolarHBondContact O-N 3.47Å |
| 335 | S | 33.5 | Very low | 43.1 | Very low | 83 Ų | 83 | 128.8 Ų | 128.8 | 58% | 0.58 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -142 | 133.9 | 177.2 | 53.5 | 0 | 0 | 0 | 0 | 110.4 | ||
| 336 | S | 35.9 | Very low | 42.9 | Very low | 100 Ų | 100 | 133 Ų | 133 | 70% | 0.699 | 65% | 0.651 | S | S | * | * | trans | 63.4 | 144.4 | -155.3 | 74.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 337 | W | 38.7 | Very low | 43.3 | Very low | 210 Ų | 210 | 132.7 Ų | 132.7 | 80% | 0.795 | 65% | 0.645 | S | S | * | * | cis | -122.6 | 153.5 | 8.4 | -68.9 | 59.2 | 0 | 0 | 0 | 110.8 | E341 | W337-E341 HydrophobicContact CE3-CB 4.05Å; W337-E341 HydrophobicContact CZ3-CB 4.46Å | ||
| 338 | N | 38.3 | Very low | 43.3 | Very low | 89 Ų | 89 | 133.5 Ų | 133.5 | 48% | 0.476 | 64% | 0.641 | S | S | . | * | trans | -88.2 | 148.6 | 174.6 | -179.4 | 31.8 | 0 | 0 | 0 | 110.3 | E340 E341 | N338-E340 PolarHBondContact ND2-OE2 3.24Å; N338-E340 PolarHBondContact O-N 3.08Å; N338-E341 PolarHBondContact N-OE2 3.44Å; N338-E341 PolarHBondContact O-N 3.23Å | ||
| 339 | S | 46 | Very low | 43.2 | Very low | 96 Ų | 96 | 133.2 Ų | 133.2 | 67% | 0.671 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -5.8 | -172.1 | 50.3 | 0 | 0 | 0 | 0 | 115.5 | ||
| 340 | E | 45.2 | Very low | 43.4 | Very low | 141 Ų | 141 | 129 Ų | 129 | 66% | 0.659 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -29.6 | 175.9 | -70 | 167.9 | 114.5 | 0 | 0 | 112.5 | N338 Y342 Y343 | N338-E340 PolarHBondContact ND2-OE2 3.24Å; N338-E340 PolarHBondContact O-N 3.08Å; E340-Y342 PolarHBondContact O-N 3.37Å; E340-Y343 PolarHBondContact O-N 3.19Å |
| 341 | E | 47.1 | Very low | 43.4 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 49% | 0.491 | 64% | 0.638 | S | S | . | * | G | 310 helix | trans | -70 | -22.2 | -176.1 | -65.8 | 170.7 | 134.9 | 0 | 0 | 112.7 | W337 N338 Y343 N344 | W337-E341 HydrophobicContact CE3-CB 4.05Å; W337-E341 HydrophobicContact CZ3-CB 4.46Å; N338-E341 PolarHBondContact N-OE2 3.44Å; N338-E341 PolarHBondContact O-N 3.23Å; E341-Y343 PolarHBondContact O-N 3.27Å; E341-N344 PolarHBondContact O-N 2.94Å |
| 342 | Y | 42 | Very low | 43.4 | Very low | 194 Ų | 194 | 132 Ų | 132 | 76% | 0.761 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -63.6 | -25.6 | 179.1 | -164.3 | -92.4 | 0 | 0 | 0 | 113.2 | E340 | E340-Y342 PolarHBondContact O-N 3.37Š|
| 343 | Y | 42.8 | Very low | 42.9 | Very low | 188 Ų | 188 | 129.4 Ų | 129.4 | 74% | 0.737 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -89.1 | -15.7 | -177.8 | -74.1 | -77.8 | 0 | 0 | 0 | 114.3 | E340 E341 L345 | E340-Y343 PolarHBondContact O-N 3.19Å; E341-Y343 PolarHBondContact O-N 3.27Å; Y343-L345 VanDerWaalsContact C-N 3.32Å |
| 344 | N | 51.5 | Low | 42.7 | Very low | 78 Ų | 78 | 128.7 Ų | 128.7 | 42% | 0.417 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86 | 0.4 | 177.4 | -83.9 | 49.8 | 0 | 0 | 0 | 113.8 | E341 E346 E347 H348 | E341-N344 PolarHBondContact O-N 2.94Å; N344-E346 PolarHBondContact O-N 3.47Å; N344-E347 PolarHBondContact ND2-OE2 3.19Å; N344-E347 PolarHBondContact O-N 3.49Å; N344-H348 PolarHBondContact O-CD2 3.41Å; N344-H348 PolarHBondContact O-N 2.81Å |
| 345 | L | 48.1 | Very low | 42.6 | Very low | 104 Ų | 104 | 125.1 Ų | 125.1 | 55% | 0.545 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -61.6 | -33.2 | 179.1 | -159.8 | 74.6 | 0 | 0 | 0 | 112.4 | Y343 H348 M349 | Y343-L345 VanDerWaalsContact C-N 3.32Å; L345-H348 PolarHBondContact O-N 3.35Å; L345-M349 HydrophobicContact CD2-CE 3.56Å; L345-M349 HydrophobicContact CG-CE 3.67Å; L345-M349 WeakPolarHBondContact O-CG 3.44Å; L345-M349 PolarHBondContact O-N 3.4Å |
| 346 | E | 45.8 | Very low | 42.8 | Very low | 159 Ų | 159 | 128.8 Ų | 128.8 | 74% | 0.743 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -73 | -33.1 | 177.9 | -167.8 | 166.8 | -171.9 | 0 | 0 | 112.4 | N344 S350 | N344-E346 PolarHBondContact O-N 3.47Å; E346-S350 WeakPolarHBondContact O-CB 3.24Å; E346-S350 PolarHBondContact O-N 3.47Å; E346-S350 VanDerWaalsContact O-N 3.12Å; E346-S350 PolarHBondContact O-OG 3.01Å |
| 347 | E | 52.1 | Low | 42.7 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 60% | 0.603 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -68.5 | -38.9 | 171.4 | -168.9 | 174.1 | -134.9 | 0 | 0 | 111 | N344 S350 L351 | N344-E347 PolarHBondContact ND2-OE2 3.19Å; N344-E347 PolarHBondContact O-N 3.49Å; E347-S350 PolarHBondContact O-N 2.96Å; E347-L351 PolarHBondContact O-N 3.11Å |
| 348 | H | 46.3 | Very low | 42.8 | Very low | 129 Ų | 129 | 125.4 Ų | 125.4 | 60% | 0.597 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -65 | -45.6 | 173.6 | -86 | -73.1 | 0 | 0 | 0 | 113.2 | N344 L345 S350 L351 | N344-H348 PolarHBondContact O-CD2 3.41Å; N344-H348 PolarHBondContact O-N 2.81Å; L345-H348 PolarHBondContact O-N 3.35Å; H348-S350 VanDerWaalsContact C-N 3.25Å; H348-S350 PolarHBondContact O-N 2.82Å; H348-L351 WeakPolarHBondContact O-CB 3.5Å; H348-L351 PolarHBondContact O-N 2.91Å; H348-L351 VanDerWaalsContact O-N 3.15Å |
| 349 | M | 45.4 | Very low | 42.7 | Very low | 109 Ų | 109 | 127.5 Ų | 127.5 | 54% | 0.537 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -66.3 | -27.9 | 177.6 | -68.5 | -167.8 | -139.9 | 0 | 0 | 113 | L345 L351 | L345-M349 HydrophobicContact CD2-CE 3.56Å; L345-M349 HydrophobicContact CG-CE 3.67Å; L345-M349 WeakPolarHBondContact O-CG 3.44Å; L345-M349 PolarHBondContact O-N 3.4Å; M349-L351 PolarHBondContact O-N 3.24Å |
| 350 | S | 45.3 | Very low | 42.3 | Very low | 64 Ų | 64 | 127.6 Ų | 127.6 | 45% | 0.448 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -67.2 | -24.2 | 174.8 | -61.8 | 0 | 0 | 0 | 0 | 113.1 | E346 E347 H348 | E346-S350 WeakPolarHBondContact O-CB 3.24Å; E346-S350 PolarHBondContact O-N 3.47Å; E346-S350 VanDerWaalsContact O-N 3.12Å; E346-S350 PolarHBondContact O-OG 3.01Å; E347-S350 PolarHBondContact O-N 2.96Å; H348-S350 VanDerWaalsContact C-N 3.25Å; H348-S350 PolarHBondContact O-N 2.82Å |
| 351 | L | 42.5 | Very low | 41.8 | Very low | 150 Ų | 150 | 127.4 Ų | 127.4 | 79% | 0.785 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -75.5 | -30.6 | -177.8 | -142.8 | 78.2 | 0 | 0 | 0 | 113.3 | E347 H348 M349 G353 | E347-L351 PolarHBondContact O-N 3.11Å; H348-L351 WeakPolarHBondContact O-CB 3.5Å; H348-L351 PolarHBondContact O-N 2.91Å; H348-L351 VanDerWaalsContact O-N 3.15Å; M349-L351 PolarHBondContact O-N 3.24Å; L351-G353 VanDerWaalsContact C-N 3.31Å; L351-G353 PolarHBondContact O-N 2.91Å |
| 352 | D | 44.2 | Very low | 41.1 | Very low | 147 Ų | 147 | 130.8 Ų | 130.8 | 79% | 0.786 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | 12.6 | 179.9 | -78.3 | -38 | 0 | 0 | 0 | 113.6 | L354 | D352-L354 PolarHBondContact O-N 2.83Š|
| 353 | G | 32.3 | Very low | 41.1 | Very low | 59 Ų | 59 | 130.4 Ų | 130.4 | 61% | 0.608 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.8 | 11 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | L351 H355 | L351-G353 VanDerWaalsContact C-N 3.31Å; L351-G353 PolarHBondContact O-N 2.91Å; G353-H355 PolarHBondContact O-N 3.39Å |
| 354 | L | 35.3 | Very low | 40.8 | Very low | 131 Ų | 131 | 131.1 Ų | 131.1 | 69% | 0.686 | 71% | 0.712 | S | S | * | * | trans | -87.2 | 70 | 177.2 | -82.6 | 163.9 | 0 | 0 | 0 | 112.1 | D352 L356 | D352-L354 PolarHBondContact O-N 2.83Å; L354-L356 PolarHBondContact O-N 3.28Å; L354-L356 VanDerWaalsContact O-N 3.12Å | ||
| 355 | H | 35.9 | Very low | 40.2 | Very low | 163 Ų | 163 | 138.6 Ų | 138.6 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | trans | -69.7 | 104.7 | 171.9 | -98.1 | -67.9 | 0 | 0 | 0 | 111.8 | G353 | G353-H355 PolarHBondContact O-N 3.39Š| ||
| 356 | L | 38 | Very low | 39.6 | Very low | 160 Ų | 160 | 140.7 Ų | 140.7 | 84% | 0.838 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -85 | 125.8 | 163.1 | -67 | 170.7 | 0 | 0 | 0 | 109.3 | L354 | L354-L356 PolarHBondContact O-N 3.28Å; L354-L356 VanDerWaalsContact O-N 3.12Å |
| 357 | S | 34.8 | Very low | 39.2 | Very low | 109 Ų | 109 | 139.3 Ų | 139.3 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 138.5 | 178.5 | -66.9 | 0 | 0 | 0 | 0 | 111.6 | ||
| 358 | P | 39.8 | Very low | 38.5 | Very low | 130 Ų | 130 | 138.5 Ų | 138.5 | 84% | 0.844 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 143 | -178.4 | -23.9 | 34.6 | 0 | 0 | 0 | 114.5 | ||
| 359 | I | 37.4 | Very low | 38.1 | Very low | 133 Ų | 133 | 141.3 Ų | 141.3 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 129.8 | 174.4 | -55.1 | 163.3 | 0 | 0 | 0 | 109 | Q20 | Q20-I359 VanDerWaalsContact NE2-CD1 3.28Š|
| 360 | A | 35.6 | Very low | 37.7 | Very low | 98 Ų | 98 | 142.2 Ų | 142.2 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 128.4 | 180 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 361 | T | 35 | Very low | 37.4 | Very low | 136 Ų | 136 | 146.2 Ų | 146.2 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 119.9 | 176.6 | 49.4 | 0 | 0 | 0 | 0 | 111.9 | E363 | T361-E363 PolarHBondContact O-N 3.06Š|
| 362 | L | 33.7 | Very low | 37.2 | Very low | 176 Ų | 176 | 145.5 Ų | 145.5 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | -84.8 | 102.9 | 176.5 | -171 | 76.2 | 0 | 0 | 0 | 111.1 | ||||
| 363 | E | 41.1 | Very low | 37 | Very low | 186 Ų | 186 | 143.6 Ų | 143.6 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | trans | -86.1 | 147.1 | 180 | -159 | 170.5 | -139.1 | 0 | 0 | 112.9 | T361 | T361-E363 PolarHBondContact O-N 3.06Š| ||
| 364 | K | 36.8 | Very low | 37.5 | Very low | 204 Ų | 204 | 146.8 Ų | 146.8 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | -77.6 | 146.7 | -172.5 | -66.9 | 176.1 | 179.6 | 173.5 | 0 | 112.6 | ||||
| 365 | R | 37.8 | Very low | 38 | Very low | 235 Ų | 235 | 146.5 Ų | 146.5 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | trans | -141.6 | 157.2 | 167.8 | -138.2 | -178.5 | -160.6 | 154.7 | 7.3 | 113 | ||||
| 366 | N | 36.1 | Very low | 38.3 | Very low | 147 Ų | 147 | 148.6 Ų | 148.6 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | 94.4 | 101.4 | 162.3 | -54.4 | -9.7 | 0 | 0 | 0 | 118.3 | ||||
| 367 | S | 37.9 | Very low | 38.5 | Very low | 131 Ų | 131 | 147.1 Ų | 147.1 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | -146.2 | 162.5 | 111.7 | 63.7 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 368 | S | 36.8 | Very low | 39 | Very low | 112 Ų | 112 | 146.6 Ų | 146.6 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -124.5 | 146 | -154.9 | 54.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 369 | F | 38.6 | Very low | 39.1 | Very low | 187 Ų | 187 | 145.4 Ų | 145.4 | 82% | 0.82 | 78% | 0.78 | S | S | * | * | trans | -147.9 | 123 | 155.8 | -156.7 | -92 | 0 | 0 | 0 | 110.4 | ||||
| 370 | C | 36.1 | Very low | 39.6 | Very low | 128 Ų | 128 | 146.1 Ų | 146.1 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | trans | -142.1 | 124.1 | 178.1 | -72.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 371 | E | 39.5 | Very low | 40.2 | Very low | 149 Ų | 149 | 148.7 Ų | 148.7 | 70% | 0.696 | 78% | 0.775 | S | S | * | * | trans | -154.3 | 118.9 | 168.2 | -170.3 | 168.8 | -154.9 | 0 | 0 | 110.9 | ||||
| 372 | N | 38.9 | Very low | 40.7 | Very low | 134 Ų | 134 | 150.6 Ų | 150.6 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | trans | 61.7 | 142.2 | 166.1 | -61 | -29.9 | 0 | 0 | 0 | 118.5 | ||||
| 373 | T | 38.7 | Very low | 41 | Very low | 107 Ų | 107 | 147.2 Ų | 147.2 | 66% | 0.656 | 77% | 0.766 | S | S | * | * | cis | -162.1 | 149.1 | -7.7 | 12.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 374 | N | 43.5 | Very low | 40.8 | Very low | 126 Ų | 126 | 144.1 Ų | 144.1 | 67% | 0.674 | 76% | 0.763 | S | S | * | * | trans | 69 | 147.2 | 177.4 | -47.6 | -47.4 | 0 | 0 | 0 | 113.9 | ||||
| 375 | C | 45.6 | Very low | 41 | Very low | 125 Ų | 125 | 139.1 Ų | 139.1 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | cis | -132.8 | 116.9 | 25 | -63.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 376 | W | 42.3 | Very low | 41.2 | Very low | 207 Ų | 207 | 135.1 Ų | 135.1 | 78% | 0.784 | 75% | 0.75 | S | S | * | * | trans | 22.3 | 119.4 | 136.9 | -72.1 | 65.9 | 0 | 0 | 0 | 121.7 | ||||
| 377 | N | 41.6 | Very low | 41.3 | Very low | 129 Ų | 129 | 135 Ų | 135 | 69% | 0.69 | 75% | 0.75 | S | S | * | * | trans | 72.7 | 146.9 | 137.3 | -60.9 | 23.9 | 0 | 0 | 0 | 118.8 | ||||
| 378 | S | 45.5 | Very low | 41.8 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 69% | 0.685 | 74% | 0.738 | S | S | * | * | cis | -145.8 | 138.2 | 16.5 | 50.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 379 | N | 42.9 | Very low | 41.8 | Very low | 106 Ų | 106 | 132.9 Ų | 132.9 | 57% | 0.567 | 73% | 0.728 | S | S | * | * | trans | 60.4 | 110.5 | 134.8 | -60.4 | 50.5 | 0 | 0 | 0 | 118.4 | ||||
| 380 | E | 48.8 | Very low | 41.9 | Very low | 147 Ų | 147 | 134.9 Ų | 134.9 | 69% | 0.687 | 73% | 0.73 | S | S | * | * | 95.5 | 141.8 | 90 | -77.5 | 152.4 | -160.5 | 0 | 0 | 111.1 | |||||
| 381 | E | 47.2 | Very low | 41.9 | Very low | 153 Ų | 153 | 135.5 Ų | 135.5 | 72% | 0.715 | 72% | 0.724 | S | S | * | * | cis | -156.8 | 144.8 | 8.9 | -131.6 | 159.1 | -157.1 | 0 | 0 | 111.7 | ||||
| 382 | E | 44.9 | Very low | 41.8 | Very low | 175 Ų | 175 | 134.7 Ų | 134.7 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | trans | 53.5 | 153.1 | 147 | -75.6 | -170.3 | 152.4 | 0 | 0 | 124.1 | ||||
| 383 | S | 40.3 | Very low | 41.7 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | cis | -157.2 | 170.7 | -8.7 | 42.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 384 | C | 37.8 | Very low | 41.7 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | trans | -81.3 | -166.9 | -169.9 | -51.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 385 | S | 41.3 | Very low | 41.4 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | cis | -151.3 | -160.3 | 8.5 | -43.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 386 | D | 41.8 | Very low | 40.7 | Very low | 150 Ų | 150 | 134.2 Ų | 134.2 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | cis | -159.9 | 155.1 | 0.2 | -125.2 | -47 | 0 | 0 | 0 | 110.2 | ||||
| 387 | D | 36.9 | Very low | 40.6 | Very low | 146 Ų | 146 | 131.3 Ų | 131.3 | 78% | 0.781 | 75% | 0.748 | S | S | * | * | trans | -171.7 | 175.8 | 178.8 | -151.3 | 24.7 | 0 | 0 | 0 | 109.1 | ||||
| 388 | P | 48.6 | Very low | 40.2 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 66% | 0.656 | 75% | 0.75 | S | S | * | * | cis | -125.3 | -103.1 | -35.2 | 31.3 | -10.3 | 0 | 0 | 0 | 113.1 | ||||
| 389 | V | 36.8 | Very low | 40 | Very low | 97 Ų | 97 | 136.7 Ų | 136.7 | 59% | 0.588 | 76% | 0.758 | S | S | * | * | trans | 74.1 | 126.7 | 173.6 | -139.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 390 | W | 41.1 | Very low | 40 | Very low | 228 Ų | 228 | 137.4 Ų | 137.4 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | -161.3 | -168.2 | 67.7 | -88.2 | 94.3 | 0 | 0 | 0 | 116 | |||||
| 391 | I | 35.6 | Very low | 39.8 | Very low | 141 Ų | 141 | 138.7 Ų | 138.7 | 72% | 0.723 | 77% | 0.772 | S | S | * | * | trans | -111.2 | 160.4 | -146.2 | -69.2 | 172 | 0 | 0 | 0 | 116.2 | ||||
| 392 | D | 38.2 | Very low | 39.6 | Very low | 133 Ų | 133 | 137.1 Ų | 137.1 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | -55.9 | 163.8 | 179 | -159.8 | -1.7 | 0 | 0 | 0 | 118.6 | ||||
| 393 | C | 35.7 | Very low | 39.5 | Very low | 127 Ų | 127 | 132.3 Ų | 132.3 | 86% | 0.858 | 76% | 0.758 | S | S | * | * | trans | -161.5 | 113.6 | 168.6 | -99.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 394 | S | 39.2 | Very low | 39.8 | Very low | 110 Ų | 110 | 131.6 Ų | 131.6 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | trans | -102 | 156.6 | 175.2 | -72.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 395 | P | 36.5 | Very low | 40.1 | Very low | 133 Ų | 133 | 132.9 Ų | 132.9 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | trans | -131.7 | 167.8 | 149.7 | 38 | -25.7 | 0 | 0 | 0 | 114.2 | ||||
| 396 | S | 32.6 | Very low | 40.3 | Very low | 111 Ų | 111 | 132.3 Ų | 132.3 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | trans | -120.8 | 149.3 | -167.6 | 54.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 397 | T | 39.4 | Very low | 40.4 | Very low | 146 Ų | 146 | 134.9 Ų | 134.9 | 90% | 0.896 | 74% | 0.738 | S | S | * | * | trans | -176.2 | 162.8 | 153.1 | 14.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 398 | P | 33.9 | Very low | 40.7 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 74% | 0.74 | 74% | 0.739 | S | S | * | * | trans | -96.2 | 158.6 | -156.2 | 36.7 | -37.5 | 0 | 0 | 0 | 117 | ||||
| 399 | R | 40.4 | Very low | 40.5 | Very low | 227 Ų | 227 | 136.8 Ų | 136.8 | 86% | 0.857 | 74% | 0.736 | S | S | * | * | trans | -108.2 | 118.7 | 167.6 | -76.1 | 177.3 | 168.2 | 171.3 | -4.3 | 110.6 | ||||
| 400 | V | 43 | Very low | 40.9 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | -131.3 | -36.4 | 171.2 | 179.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 401 | E | 44.4 | Very low | 41.1 | Very low | 175 Ų | 175 | 131.6 Ų | 131.6 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -77.4 | -26.5 | -169.3 | -64.4 | -176.8 | 110 | 0 | 0 | 115.3 | A403 T404 | E401-A403 VanDerWaalsContact C-N 3.34Å; E401-A403 PolarHBondContact O-N 3.18Å; E401-T404 PolarHBondContact O-N 3.08Å; E401-T404 PolarHBondContact O-OG1 2.78Å |
| 402 | L | 42.7 | Very low | 41.4 | Very low | 119 Ų | 119 | 127.7 Ų | 127.7 | 62% | 0.623 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -29.5 | -166.3 | -155.3 | 71.4 | 0 | 0 | 0 | 114.3 | T404 Q405 | L402-T404 PolarHBondContact O-N 3.5Å; L402-Q405 PolarHBondContact O-N 3.2Å |
| 403 | A | 43.3 | Very low | 41.7 | Very low | 74 Ų | 74 | 128.6 Ų | 128.6 | 61% | 0.612 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -66.4 | -25.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E401 Q405 | E401-A403 VanDerWaalsContact C-N 3.34Å; E401-A403 PolarHBondContact O-N 3.18Å; A403-Q405 VanDerWaalsContact C-N 3.29Å; A403-Q405 PolarHBondContact O-N 3.34Å |
| 404 | T | 47.6 | Very low | 42.1 | Very low | 90 Ų | 90 | 130 Ų | 130 | 55% | 0.552 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -72 | -23.8 | -174.7 | -28.1 | 0 | 0 | 0 | 0 | 112.9 | E401 L402 | E401-T404 PolarHBondContact O-N 3.08Å; E401-T404 PolarHBondContact O-OG1 2.78Å; L402-T404 PolarHBondContact O-N 3.5Å |
| 405 | Q | 43.9 | Very low | 42.6 | Very low | 149 Ų | 149 | 129.3 Ų | 129.3 | 70% | 0.696 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -84.7 | -41.3 | -173.4 | -157.4 | 164.5 | 9 | 0 | 0 | 111.9 | L402 A403 R407 R408 | L402-Q405 PolarHBondContact O-N 3.2Å; A403-Q405 VanDerWaalsContact C-N 3.29Å; A403-Q405 PolarHBondContact O-N 3.34Å; Q405-R407 VanDerWaalsContact C-N 3.31Å; Q405-R407 PolarHBondContact O-N 2.94Å; Q405-R408 PolarHBondContact O-N 2.96Å; Q405-R408 VanDerWaalsContact O-N 3.07Å |
| 406 | S | 45.3 | Very low | 43.1 | Very low | 87 Ų | 87 | 131.1 Ų | 131.1 | 61% | 0.608 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -59.8 | -37.5 | 176.5 | -55.1 | 0 | 0 | 0 | 0 | 112.9 | R408 A409 A410 | S406-R408 PolarHBondContact O-N 2.96Å; S406-R408 VanDerWaalsContact O-N 3.11Å; S406-A409 PolarHBondContact O-N 3.33Å; S406-A410 PolarHBondContact O-N 3.31Å |
| 407 | R | 42.9 | Very low | 43.9 | Very low | 204 Ų | 204 | 128 Ų | 128 | 77% | 0.77 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -61.7 | -16.3 | 175.9 | -84.7 | -172.5 | 171.8 | -179.2 | -1.7 | 114.5 | Q405 | Q405-R407 VanDerWaalsContact C-N 3.31Å; Q405-R407 PolarHBondContact O-N 2.94Å |
| 408 | R | 43.2 | Very low | 44.3 | Very low | 216 Ų | 216 | 128.5 Ų | 128.5 | 82% | 0.815 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -87.7 | -21.3 | 173.3 | -66.2 | -171.7 | -179.2 | -178 | 1.5 | 113.6 | Q405 S406 | Q405-R408 PolarHBondContact O-N 2.96Å; Q405-R408 VanDerWaalsContact O-N 3.07Å; S406-R408 PolarHBondContact O-N 2.96Å; S406-R408 VanDerWaalsContact O-N 3.11Å |
| 409 | A | 44.4 | Very low | 45.5 | Very low | 72 Ų | 72 | 127 Ų | 127 | 60% | 0.595 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -81.2 | -40.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S406 N411 G412 | S406-A409 PolarHBondContact O-N 3.33Å; A409-N411 VanDerWaalsContact C-N 3.29Å; A409-N411 PolarHBondContact O-N 3.3Å; A409-G412 PolarHBondContact O-N 2.88Å |
| 410 | A | 46.8 | Very low | 46.8 | Very low | 70 Ų | 70 | 119.6 Ų | 119.6 | 58% | 0.579 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -59.6 | -35.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S406 G412 | S406-A410 PolarHBondContact O-N 3.31Å; A410-G412 PolarHBondContact O-N 3.07Å |
| 411 | N | 45.1 | Very low | 48.1 | Very low | 145 Ų | 145 | 119.5 Ų | 119.5 | 78% | 0.775 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -75.7 | 0 | -177.2 | -67.3 | 4.7 | 0 | 0 | 0 | 114.3 | A409 | A409-N411 VanDerWaalsContact C-N 3.29Å; A409-N411 PolarHBondContact O-N 3.3Å |
| 412 | G | 41.3 | Very low | 49.3 | Very low | 60 Ų | 60 | 114.7 Ų | 114.7 | 62% | 0.619 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -90.6 | -14.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | A409 A410 H414 | A409-G412 PolarHBondContact O-N 2.88Å; A410-G412 PolarHBondContact O-N 3.07Å; G412-H414 PolarHBondContact O-N 3.01Å |
| 413 | I | 45.3 | Very low | 50.8 | Low | 152 Ų | 152 | 115 Ų | 115 | 78% | 0.779 | 64% | 0.635 | S | S | * | * | trans | -99.7 | 89.9 | -169.6 | -53.1 | -179.4 | 0 | 0 | 0 | 110.1 | S415 | I413-S415 PolarHBondContact O-N 3.34Š| ||
| 414 | H | 42.5 | Very low | 52.6 | Low | 156 Ų | 156 | 116.9 Ų | 116.9 | 72% | 0.722 | 63% | 0.629 | S | S | * | * | trans | -64.8 | 130 | 174.5 | -95.9 | -100.5 | 0 | 0 | 0 | 111.7 | G412 F416 | G412-H414 PolarHBondContact O-N 3.01Å; H414-F416 PolarHBondContact O-N 3.04Å | ||
| 415 | S | 50.5 | Low | 53.8 | Low | 95 Ų | 95 | 114.9 Ų | 114.9 | 66% | 0.664 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -11 | -173.6 | 46.9 | 0 | 0 | 0 | 0 | 116.2 | I413 G417 F418 | I413-S415 PolarHBondContact O-N 3.34Å; S415-G417 VanDerWaalsContact C-N 3.26Å; S415-G417 PolarHBondContact O-N 3.05Å; S415-F418 PolarHBondContact O-N 3.28Å |
| 416 | F | 48 | Very low | 55.3 | Low | 171 Ų | 171 | 113.3 Ų | 113.3 | 75% | 0.75 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -60.4 | -30.8 | 179.6 | -91.8 | -93.6 | 0 | 0 | 0 | 114.1 | H414 F418 | H414-F416 PolarHBondContact O-N 3.04Å; F416-F418 VanDerWaalsContact C-N 3.34Å; F416-F418 PolarHBondContact O-N 2.71Å |
| 417 | G | 49.2 | Very low | 57 | Low | 45 Ų | 45 | 115.4 Ų | 115.4 | 46% | 0.464 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.3 | -33.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S415 I421 | S415-G417 VanDerWaalsContact C-N 3.26Å; S415-G417 PolarHBondContact O-N 3.05Å; G417-I421 WeakPolarHBondContact O-CD1 3.46Å; G417-I421 WeakPolarHBondContact O-CG1 3.42Å |
| 418 | F | 46.7 | Very low | 58.7 | Low | 157 Ų | 157 | 110.3 Ų | 110.3 | 69% | 0.689 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -78.9 | -41.4 | -175.4 | -166.5 | -97 | 0 | 0 | 0 | 112.4 | S415 F416 S420 I421 V422 | S415-F418 PolarHBondContact O-N 3.28Å; F416-F418 VanDerWaalsContact C-N 3.34Å; F416-F418 PolarHBondContact O-N 2.71Å; F418-S420 PolarHBondContact O-N 2.88Å; F418-I421 PolarHBondContact O-N 3.43Å; F418-V422 HydrophobicContact CD1-CG2 4.16Å; F418-V422 HydrophobicContact CE1-CG2 3.85Å; F418-V422 HydrophobicContact CZ-CG2 4.36Å; F418-V422 PolarHBondContact O-N 2.86Å |
| 419 | V | 59.2 | Low | 59.8 | Low | 82 Ų | 82 | 105.1 Ų | 105.1 | 50% | 0.497 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -60 | -48 | 179.7 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | I421 V422 E423 | V419-I421 VanDerWaalsContact C-N 3.26Å; V419-I421 PolarHBondContact O-N 2.87Å; V419-V422 PolarHBondContact O-N 3.31Å; V419-V422 VanDerWaalsContact O-N 3.08Å; V419-E423 HydrophobicContact CG1-CG 4.24Å; V419-E423 WeakPolarHBondContact O-CG 3.34Å; V419-E423 PolarHBondContact O-N 3.44Å |
| 420 | S | 66.9 | Low | 61.2 | Low | 72 Ų | 72 | 106.7 Ų | 106.7 | 50% | 0.503 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.7 | -29.8 | 179.9 | 178.4 | 0 | 0 | 0 | 0 | 113.7 | F418 K424 | F418-S420 PolarHBondContact O-N 2.88Å; S420-K424 WeakPolarHBondContact O-CB 3.37Å; S420-K424 PolarHBondContact O-N 2.74Å |
| 421 | I | 70.4 | Confident | 62.3 | Low | 118 Ų | 118 | 109 Ų | 109 | 61% | 0.605 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -72.6 | -41.4 | 175.1 | -68.2 | 168.1 | 0 | 0 | 0 | 110.7 | G417 F418 V419 A425 | G417-I421 WeakPolarHBondContact O-CD1 3.46Å; G417-I421 WeakPolarHBondContact O-CG1 3.42Å; F418-I421 PolarHBondContact O-N 3.43Å; V419-I421 VanDerWaalsContact C-N 3.26Å; V419-I421 PolarHBondContact O-N 2.87Å; I421-A425 WeakPolarHBondContact O-CB 3.31Å; I421-A425 PolarHBondContact O-N 2.99Å |
| 422 | V | 69.9 | Low | 63.3 | Low | 74 Ų | 74 | 109.2 Ų | 109.2 | 45% | 0.448 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -69 | -44.2 | 178.8 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | F418 V419 K424 A425 L426 | F418-V422 HydrophobicContact CD1-CG2 4.16Å; F418-V422 HydrophobicContact CE1-CG2 3.85Å; F418-V422 HydrophobicContact CZ-CG2 4.36Å; F418-V422 PolarHBondContact O-N 2.86Å; V419-V422 PolarHBondContact O-N 3.31Å; V419-V422 VanDerWaalsContact O-N 3.08Å; V422-K424 PolarHBondContact O-N 3.03Å; V422-A425 PolarHBondContact O-N 3.47Å; V422-L426 PolarHBondContact O-N 3.35Å |
| 423 | E | 75.3 | Confident | 64.4 | Low | 125 Ų | 125 | 111.5 Ų | 111.5 | 58% | 0.584 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -58 | -47.6 | 175.8 | -71.9 | 176.5 | 139.7 | 0 | 0 | 111.4 | V419 A425 L426 E427 | V419-E423 HydrophobicContact CG1-CG 4.24Å; V419-E423 WeakPolarHBondContact O-CG 3.34Å; V419-E423 PolarHBondContact O-N 3.44Å; E423-A425 PolarHBondContact O-N 3.16Å; E423-L426 WeakPolarHBondContact O-CB 3.25Å; E423-L426 PolarHBondContact O-N 3.31Å; E423-E427 PolarHBondContact O-N 2.92Å |
| 424 | K | 80.1 | Confident | 65.5 | Low | 115 Ų | 115 | 110.4 Ų | 110.4 | 50% | 0.5 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.1 | -36.3 | 179.1 | -170.4 | 170.6 | -174.2 | -70.3 | 0 | 113 | S420 V422 L426 E427 E428 | S420-K424 WeakPolarHBondContact O-CB 3.37Å; S420-K424 PolarHBondContact O-N 2.74Å; V422-K424 PolarHBondContact O-N 3.03Å; K424-L426 VanDerWaalsContact C-N 3.35Å; K424-E427 PolarHBondContact O-N 3.35Å; K424-E428 IonicContact NZ-OE1 2.57Å; K424-E428 PolarHBondContact NZ-OE1 3.19Å; K424-E428 WeakPolarHBondContact O-CB 3.29Å; K424-E428 WeakPolarHBondContact O-CG 3.43Å; K424-E428 PolarHBondContact O-N 3.23Å |
| 425 | A | 72.6 | Confident | 66.2 | Low | 48 Ų | 48 | 110.3 Ų | 110.3 | 40% | 0.397 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.5 | -37.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | I421 V422 E423 M429 | I421-A425 WeakPolarHBondContact O-CB 3.31Å; I421-A425 PolarHBondContact O-N 2.99Å; V422-A425 PolarHBondContact O-N 3.47Å; E423-A425 PolarHBondContact O-N 3.16Å; A425-M429 WeakPolarHBondContact O-CG 3.46Å; A425-M429 PolarHBondContact O-N 3.27Å; A425-M429 VanDerWaalsContact O-N 3.12Å |
| 426 | L | 75.8 | Confident | 67 | Low | 115 Ų | 115 | 111.1 Ų | 111.1 | 60% | 0.602 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.6 | -41.9 | 174.8 | -136.4 | 80.4 | 0 | 0 | 0 | 111.8 | V422 E423 K424 M429 N430 | V422-L426 PolarHBondContact O-N 3.35Å; E423-L426 WeakPolarHBondContact O-CB 3.25Å; E423-L426 PolarHBondContact O-N 3.31Å; K424-L426 VanDerWaalsContact C-N 3.35Å; L426-M429 HydrophobicContact CD1-CE 3.99Å; L426-M429 PolarHBondContact O-N 3.11Å; L426-N430 WeakPolarHBondContact O-CB 3.25Å; L426-N430 PolarHBondContact O-N 3.34Å |
| 427 | E | 80.5 | Confident | 68 | Low | 132 Ų | 132 | 107.9 Ų | 107.9 | 62% | 0.617 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.4 | -43.1 | 178 | -167.9 | 172.7 | -134.2 | 0 | 0 | 111.8 | E423 K424 N430 L431 | E423-E427 PolarHBondContact O-N 2.92Å; K424-E427 PolarHBondContact O-N 3.35Å; E427-N430 PolarHBondContact O-N 3.11Å; E427-L431 WeakPolarHBondContact O-CG 3.37Å; E427-L431 PolarHBondContact O-N 3.39Å |
| 428 | E | 78.4 | Confident | 69.1 | Low | 96 Ų | 96 | 111.4 Ų | 111.4 | 45% | 0.449 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.4 | -36.2 | 175.3 | -76.2 | 179.8 | -170 | 0 | 0 | 113.2 | K424 Q432 | K424-E428 IonicContact NZ-OE1 2.57Å; K424-E428 PolarHBondContact NZ-OE1 3.19Å; K424-E428 WeakPolarHBondContact O-CB 3.29Å; K424-E428 WeakPolarHBondContact O-CG 3.43Å; K424-E428 PolarHBondContact O-N 3.23Å; E428-Q432 WeakPolarHBondContact O-CG 3.47Å; E428-Q432 PolarHBondContact O-N 3.5Å |
| 429 | M | 67.3 | Low | 70.4 | Confident | 108 Ų | 108 | 108.7 Ų | 108.7 | 53% | 0.532 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.8 | -44 | 172.5 | -73.7 | -172.9 | -64.5 | 0 | 0 | 111.9 | A425 L426 L431 Q432 C433 | A425-M429 WeakPolarHBondContact O-CG 3.46Å; A425-M429 PolarHBondContact O-N 3.27Å; A425-M429 VanDerWaalsContact O-N 3.12Å; L426-M429 HydrophobicContact CD1-CE 3.99Å; L426-M429 PolarHBondContact O-N 3.11Å; M429-L431 VanDerWaalsContact C-N 3.27Å; M429-L431 PolarHBondContact O-N 3.36Å; M429-Q432 PolarHBondContact O-N 3.02Å; M429-Q432 VanDerWaalsContact O-N 3.09Å; M429-C433 PolarHBondContact O-N 3.3Å |
| 430 | N | 74.4 | Confident | 71.1 | Confident | 104 Ų | 104 | 110.4 Ų | 110.4 | 56% | 0.556 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.1 | -32.1 | -179.8 | -163.1 | 15.7 | 0 | 0 | 0 | 112 | L426 E427 C433 N434 | L426-N430 WeakPolarHBondContact O-CB 3.25Å; L426-N430 PolarHBondContact O-N 3.34Å; E427-N430 PolarHBondContact O-N 3.11Å; N430-C433 PolarHBondContact O-N 3.07Å; N430-N434 PolarHBondContact O-ND2 3.28Å; N430-N434 PolarHBondContact OD1-ND2 3.26Å |
| 431 | L | 68.9 | Low | 71.4 | Confident | 120 Ų | 120 | 112.9 Ų | 112.9 | 63% | 0.628 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.5 | -37.1 | 171.6 | -75.2 | 166.5 | 0 | 0 | 0 | 112.8 | E427 M429 C433 N434 | E427-L431 WeakPolarHBondContact O-CG 3.37Å; E427-L431 PolarHBondContact O-N 3.39Å; M429-L431 VanDerWaalsContact C-N 3.27Å; M429-L431 PolarHBondContact O-N 3.36Å; L431-C433 VanDerWaalsContact C-N 3.34Å; L431-N434 PolarHBondContact O-N 2.96Å |
| 432 | Q | 67 | Low | 71.4 | Confident | 148 Ų | 148 | 112.6 Ų | 112.6 | 69% | 0.692 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -72.8 | -24 | 177.3 | -69.9 | 179.7 | 21.3 | 0 | 0 | 113.5 | E428 M429 N434 | E428-Q432 WeakPolarHBondContact O-CG 3.47Å; E428-Q432 PolarHBondContact O-N 3.5Å; M429-Q432 PolarHBondContact O-N 3.02Å; M429-Q432 VanDerWaalsContact O-N 3.09Å; Q432-N434 VanDerWaalsContact C-N 3.29Å |
| 433 | C | 63.1 | Low | 71.6 | Confident | 108 Ų | 108 | 115.5 Ų | 115.5 | 73% | 0.73 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -7 | 174.6 | -66.4 | 0 | 0 | 0 | 0 | 114.1 | M429 N430 L431 | M429-C433 PolarHBondContact O-N 3.3Å; N430-C433 PolarHBondContact O-N 3.07Å; L431-C433 VanDerWaalsContact C-N 3.34Å |
| 434 | N | 68.6 | Low | 71.2 | Confident | 129 Ų | 129 | 114.8 Ų | 114.8 | 69% | 0.69 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.9 | 18.3 | -175.3 | -72.4 | -78.4 | 0 | 0 | 0 | 113.4 | N430 L431 Q432 | N430-N434 PolarHBondContact O-ND2 3.28Å; N430-N434 PolarHBondContact OD1-ND2 3.26Å; L431-N434 PolarHBondContact O-N 2.96Å; Q432-N434 VanDerWaalsContact C-N 3.29Å |
| 435 | S | 58.4 | Low | 70.4 | Confident | 154 Ų | 154 | 114.7 Ų | 114.7 | 100% | 1.077 | 63% | 0.634 | S | S | * | * | trans | -127.2 | 0 | -178 | 70.6 | 0 | 0 | 0 | 0 | 113.5 |
Retrieved 435 of 435 residues in 120.3 ms
(Link to these results)