| 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 | 39.5 | Very low | 41.7 | Very low | 235 Ų | 235 | 136.9 Ų | 136.9 | 100% | 1.158 | 75% | 0.751 | S | S | * | * | 0 | 122.5 | 0 | -77.2 | 175.5 | 165.1 | 0 | 0 | 108.4 | |||||
| 2 | L | 32.3 | Very low | 41.7 | Very low | 174 Ų | 174 | 132.1 Ų | 132.1 | 91% | 0.911 | 73% | 0.733 | S | S | * | * | trans | -141.4 | 110 | 160.4 | -75.6 | 177.8 | 0 | 0 | 0 | 106.6 | ||||
| 3 | S | 36.5 | Very low | 41.9 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 83% | 0.832 | 73% | 0.727 | S | S | * | * | trans | -100 | 112.5 | -179.3 | -63 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 4 | Y | 33.7 | Very low | 41.8 | Very low | 222 Ų | 222 | 130.9 Ų | 130.9 | 87% | 0.871 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 135.1 | 165 | -93.7 | -93.7 | 0 | 0 | 0 | 109.4 | ||
| 5 | P | 42 | Very low | 41.9 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 74% | 0.74 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 134.8 | 179.1 | 28.3 | -33.9 | 0 | 0 | 0 | 110.4 | A7 | P5-A7 PolarHBondContact O-N 3.42Š|
| 6 | S | 40.5 | Very low | 42.6 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 84% | 0.839 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -64 | 119.1 | 174.2 | -171.6 | 0 | 0 | 0 | 0 | 109.7 | D8 | S6-D8 PolarHBondContact O-N 3.07Š|
| 7 | A | 47.3 | Very low | 42.6 | Very low | 89 Ų | 89 | 123.5 Ų | 123.5 | 74% | 0.736 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 135.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111 | P5 S9 | P5-A7 PolarHBondContact O-N 3.42Å; A7-S9 PolarHBondContact O-N 2.96Å; A7-S9 VanDerWaalsContact O-N 3.13Å |
| 8 | D | 46.3 | Very low | 42.9 | Very low | 84 Ų | 84 | 120.6 Ų | 120.6 | 45% | 0.449 | 67% | 0.67 | S | S | . | * | trans | -67.7 | 113.5 | -154.9 | -157.3 | -38.1 | 0 | 0 | 0 | 113.4 | S6 R10 V11 | S6-D8 PolarHBondContact O-N 3.07Å; D8-R10 PolarHBondContact O-N 2.88Å; D8-R10 VanDerWaalsContact OD1-CB 3.22Å; D8-R10 WeakPolarHBondContact OD1-CB 3.37Å; D8-R10 WeakPolarHBondContact OD1-CD 3.41Å; D8-R10 WeakPolarHBondContact OD1-CG 3.31Å; D8-R10 PolarHBondContact OD1-N 2.99Å; D8-R10 IonicContact OD1-NE 3.96Å; D8-V11 HydrophobicContact CB-CG2 4.16Å; D8-V11 PolarHBondContact O-N 3.23Å | ||
| 9 | S | 47.7 | Very low | 43.2 | Very low | 68 Ų | 68 | 120.6 Ų | 120.6 | 48% | 0.476 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -55.6 | -23.6 | 177.5 | -168.1 | 0 | 0 | 0 | 0 | 112.7 | A7 R13 | A7-S9 PolarHBondContact O-N 2.96Å; A7-S9 VanDerWaalsContact O-N 3.13Å; S9-R13 WeakPolarHBondContact O-CB 3.16Å; S9-R13 WeakPolarHBondContact O-CD 3.15Å; S9-R13 VanDerWaalsContact O-CG 3.23Å; S9-R13 WeakPolarHBondContact O-CG 3.46Å; S9-R13 PolarHBondContact O-N 3.23Å; S9-R13 VanDerWaalsContact O-N 3.13Å; S9-R13 PolarHBondContact OG-NE 3.46Å |
| 10 | R | 44.7 | Very low | 43.4 | Very low | 196 Ų | 196 | 117.3 Ų | 117.3 | 74% | 0.74 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -65.2 | -40.7 | 173.9 | -58.4 | 171.5 | -151.4 | -111.7 | 3.3 | 112 | D8 R13 S14 | D8-R10 PolarHBondContact O-N 2.88Å; D8-R10 VanDerWaalsContact OD1-CB 3.22Å; D8-R10 WeakPolarHBondContact OD1-CB 3.37Å; D8-R10 WeakPolarHBondContact OD1-CD 3.41Å; D8-R10 WeakPolarHBondContact OD1-CG 3.31Å; D8-R10 PolarHBondContact OD1-N 2.99Å; D8-R10 IonicContact OD1-NE 3.96Å; R10-R13 PolarHBondContact O-N 3.2Å; R10-S14 WeakPolarHBondContact O-CB 3.22Å; R10-S14 PolarHBondContact O-N 3.09Å |
| 11 | V | 47.8 | Very low | 43.4 | Very low | 85 Ų | 85 | 117.9 Ų | 117.9 | 52% | 0.515 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -67.3 | -47.3 | -178.3 | 175.7 | 0 | 0 | 0 | 0 | 110.1 | D8 R13 S14 L15 | D8-V11 HydrophobicContact CB-CG2 4.16Å; D8-V11 PolarHBondContact O-N 3.23Å; V11-R13 PolarHBondContact O-N 3.06Å; V11-S14 PolarHBondContact O-N 3.07Å; V11-L15 HydrophobicContact CG1-CD1 4.01Å; V11-L15 WeakPolarHBondContact O-CG 3.41Å; V11-L15 PolarHBondContact O-N 3.09Å |
| 12 | C | 42.2 | Very low | 43.6 | Very low | 79 Ų | 79 | 110.5 Ų | 110.5 | 53% | 0.534 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -58 | -46.1 | 175 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | S14 L15 T16 | C12-S14 PolarHBondContact O-N 3.23Å; C12-L15 PolarHBondContact O-N 3.14Å; C12-T16 PolarHBondContact O-N 3.43Å; C12-T16 PolarHBondContact O-OG1 2.93Å |
| 13 | R | 43.8 | Very low | 44.2 | Very low | 174 Ų | 174 | 105.9 Ų | 105.9 | 66% | 0.657 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -63.3 | -40.5 | 177.2 | -72.5 | 171.1 | -176.1 | -119.1 | -0.4 | 112.8 | S9 R10 V11 T16 S17 | S9-R13 WeakPolarHBondContact O-CB 3.16Å; S9-R13 WeakPolarHBondContact O-CD 3.15Å; S9-R13 VanDerWaalsContact O-CG 3.23Å; S9-R13 WeakPolarHBondContact O-CG 3.46Å; S9-R13 PolarHBondContact O-N 3.23Å; S9-R13 VanDerWaalsContact O-N 3.13Å; S9-R13 PolarHBondContact OG-NE 3.46Å; R10-R13 PolarHBondContact O-N 3.2Å; V11-R13 PolarHBondContact O-N 3.06Å; R13-T16 PolarHBondContact O-N 3.27Å; R13-S17 PolarHBondContact O-N 3.07Å; R13-S17 PolarHBondContact O-OG 2.71Å |
| 14 | S | 41.7 | Very low | 44.3 | Very low | 74 Ų | 74 | 104.4 Ų | 104.4 | 52% | 0.517 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63.1 | -45.2 | 176.6 | -166.8 | 0 | 0 | 0 | 0 | 111.4 | R10 V11 C12 T16 S17 S18 | R10-S14 WeakPolarHBondContact O-CB 3.22Å; R10-S14 PolarHBondContact O-N 3.09Å; V11-S14 PolarHBondContact O-N 3.07Å; C12-S14 PolarHBondContact O-N 3.23Å; S14-T16 VanDerWaalsContact C-N 3.35Å; S14-T16 PolarHBondContact O-N 2.81Å; S14-S17 PolarHBondContact O-N 3.02Å; S14-S18 PolarHBondContact O-N 2.85Å; S14-S18 PolarHBondContact O-OG 3.03Å |
| 15 | L | 43 | Very low | 44.7 | Very low | 105 Ų | 105 | 100.3 Ų | 100.3 | 55% | 0.55 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.9 | -40.4 | 175.8 | -69.6 | 169 | 0 | 0 | 0 | 111.8 | V11 C12 S17 S18 L19 | V11-L15 HydrophobicContact CG1-CD1 4.01Å; V11-L15 WeakPolarHBondContact O-CG 3.41Å; V11-L15 PolarHBondContact O-N 3.09Å; C12-L15 PolarHBondContact O-N 3.14Å; L15-S17 VanDerWaalsContact C-N 3.31Å; L15-S17 PolarHBondContact O-N 3.43Å; L15-S18 PolarHBondContact O-N 2.73Å; L15-L19 VanDerWaalsContact O-CG 3.31Å; L15-L19 WeakPolarHBondContact O-CG 3.48Å; L15-L19 PolarHBondContact O-N 3.42Å |
| 16 | T | 52.3 | Low | 44.7 | Very low | 90 Ų | 90 | 104.6 Ų | 104.6 | 55% | 0.552 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63.8 | -38.2 | 177.4 | -38.3 | 0 | 0 | 0 | 0 | 111.5 | C12 R13 S14 L19 A20 | C12-T16 PolarHBondContact O-N 3.43Å; C12-T16 PolarHBondContact O-OG1 2.93Å; R13-T16 PolarHBondContact O-N 3.27Å; S14-T16 VanDerWaalsContact C-N 3.35Å; S14-T16 PolarHBondContact O-N 2.81Å; T16-L19 PolarHBondContact O-N 3.36Å; T16-A20 PolarHBondContact O-N 3.06Å; T16-A20 VanDerWaalsContact O-N 3.08Å |
| 17 | S | 43.1 | Very low | 44.7 | Very low | 71 Ų | 71 | 102.9 Ų | 102.9 | 50% | 0.497 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.7 | -40.9 | 177.3 | -55.8 | 0 | 0 | 0 | 0 | 112.2 | R13 S14 L15 L19 A20 L21 | R13-S17 PolarHBondContact O-N 3.07Å; R13-S17 PolarHBondContact O-OG 2.71Å; S14-S17 PolarHBondContact O-N 3.02Å; L15-S17 VanDerWaalsContact C-N 3.31Å; L15-S17 PolarHBondContact O-N 3.43Å; S17-L19 VanDerWaalsContact C-N 3.35Å; S17-L19 PolarHBondContact O-N 2.98Å; S17-A20 PolarHBondContact O-N 3.13Å; S17-L21 PolarHBondContact O-N 3.48Å; S17-L21 VanDerWaalsContact O-N 3.17Å |
| 18 | S | 47.1 | Very low | 44.2 | Very low | 71 Ų | 71 | 101.1 Ų | 101.1 | 50% | 0.497 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.4 | -37.2 | 174.4 | -60.7 | 0 | 0 | 0 | 0 | 112.7 | S14 L15 S22 | S14-S18 PolarHBondContact O-N 2.85Å; S14-S18 PolarHBondContact O-OG 3.03Å; L15-S18 PolarHBondContact O-N 2.73Å; S18-S22 WeakPolarHBondContact O-CB 3.29Å; S18-S22 PolarHBondContact O-N 2.95Å; S18-S22 VanDerWaalsContact O-N 3.08Å |
| 19 | L | 49.9 | Very low | 44.2 | Very low | 121 Ų | 121 | 102.4 Ų | 102.4 | 63% | 0.634 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66 | -40.4 | 175.5 | -72.1 | 167.3 | 0 | 0 | 0 | 112.1 | L15 T16 S17 S22 S23 | L15-L19 VanDerWaalsContact O-CG 3.31Å; L15-L19 WeakPolarHBondContact O-CG 3.48Å; L15-L19 PolarHBondContact O-N 3.42Å; T16-L19 PolarHBondContact O-N 3.36Å; S17-L19 VanDerWaalsContact C-N 3.35Å; S17-L19 PolarHBondContact O-N 2.98Å; L19-S22 PolarHBondContact O-N 3.26Å; L19-S23 WeakPolarHBondContact O-CB 3.47Å; L19-S23 PolarHBondContact O-N 3.01Å |
| 20 | A | 46.2 | Very low | 43.9 | Very low | 54 Ų | 54 | 105.2 Ų | 105.2 | 45% | 0.446 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61.2 | -46.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | T16 S17 S22 S23 C24 | T16-A20 PolarHBondContact O-N 3.06Å; T16-A20 VanDerWaalsContact O-N 3.08Å; S17-A20 PolarHBondContact O-N 3.13Å; A20-S22 PolarHBondContact O-N 2.95Å; A20-S23 PolarHBondContact O-N 2.89Å; A20-C24 PolarHBondContact O-N 3.3Å; A20-C24 PolarHBondContact O-SG 3.04Å; A20-C24 VanDerWaalsContact O-SG 3.41Å |
| 21 | L | 44.6 | Very low | 43.7 | Very low | 131 Ų | 131 | 99.5 Ų | 99.5 | 69% | 0.686 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -60.5 | -43.5 | 176.8 | -74.1 | 164.1 | 0 | 0 | 0 | 112.3 | S17 C24 H25 | S17-L21 PolarHBondContact O-N 3.48Å; S17-L21 VanDerWaalsContact O-N 3.17Å; L21-C24 PolarHBondContact O-N 3.48Å; L21-H25 PolarHBondContact O-N 2.94Å; L21-H25 VanDerWaalsContact O-N 3.08Å |
| 22 | S | 43.2 | Very low | 43.1 | Very low | 80 Ų | 80 | 104 Ų | 104 | 56% | 0.559 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -62.6 | -41.9 | 176.6 | -172.9 | 0 | 0 | 0 | 0 | 112.4 | S18 L19 A20 H25 R26 | S18-S22 WeakPolarHBondContact O-CB 3.29Å; S18-S22 PolarHBondContact O-N 2.95Å; S18-S22 VanDerWaalsContact O-N 3.08Å; L19-S22 PolarHBondContact O-N 3.26Å; A20-S22 PolarHBondContact O-N 2.95Å; S22-H25 PolarHBondContact O-N 2.93Å; S22-R26 PolarHBondContact O-N 3.04Å |
| 23 | S | 45.3 | Very low | 42.6 | Very low | 76 Ų | 76 | 103.6 Ų | 103.6 | 53% | 0.531 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.2 | -47.1 | 177.5 | -167.8 | 0 | 0 | 0 | 0 | 112.1 | L19 A20 H25 R26 S27 | L19-S23 WeakPolarHBondContact O-CB 3.47Å; L19-S23 PolarHBondContact O-N 3.01Å; A20-S23 PolarHBondContact O-N 2.89Å; S23-H25 VanDerWaalsContact C-N 3.28Å; S23-H25 PolarHBondContact O-N 3.35Å; S23-R26 PolarHBondContact O-N 3.49Å; S23-R26 VanDerWaalsContact O-N 3.11Å; S23-S27 PolarHBondContact O-N 3.42Å; S23-S27 VanDerWaalsContact O-N 3.12Å |
| 24 | C | 38.5 | Very low | 42.7 | Very low | 89 Ų | 89 | 100.5 Ų | 100.5 | 60% | 0.601 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -58 | -39.8 | 175.3 | -71.1 | 0 | 0 | 0 | 0 | 112.3 | A20 L21 R26 S27 A28 | A20-C24 PolarHBondContact O-N 3.3Å; A20-C24 PolarHBondContact O-SG 3.04Å; A20-C24 VanDerWaalsContact O-SG 3.41Å; L21-C24 PolarHBondContact O-N 3.48Å; C24-R26 VanDerWaalsContact C-N 3.32Å; C24-R26 PolarHBondContact O-N 3.42Å; C24-S27 PolarHBondContact O-N 3.13Å; C24-A28 WeakPolarHBondContact O-CB 3.49Å; C24-A28 PolarHBondContact O-N 3.35Å |
| 25 | H | 41 | Very low | 42.6 | Very low | 135 Ų | 135 | 102.8 Ų | 102.8 | 63% | 0.625 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -67.6 | -31.8 | 178.8 | -150.4 | -37.9 | 0 | 0 | 0 | 112.7 | L21 S22 S23 | L21-H25 PolarHBondContact O-N 2.94Å; L21-H25 VanDerWaalsContact O-N 3.08Å; S22-H25 PolarHBondContact O-N 2.93Å; S23-H25 VanDerWaalsContact C-N 3.28Å; S23-H25 PolarHBondContact O-N 3.35Å |
| 26 | R | 42.5 | Very low | 42.5 | Very low | 204 Ų | 204 | 109.3 Ų | 109.3 | 77% | 0.77 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -70.7 | -37.9 | 174.4 | -172 | 175.7 | -75.7 | -107.6 | 4.5 | 112.2 | S22 S23 C24 T30 | S22-R26 PolarHBondContact O-N 3.04Å; S23-R26 PolarHBondContact O-N 3.49Å; S23-R26 VanDerWaalsContact O-N 3.11Å; C24-R26 VanDerWaalsContact C-N 3.32Å; C24-R26 PolarHBondContact O-N 3.42Å; R26-T30 PolarHBondContact O-OG1 3.25Å |
| 27 | S | 39.7 | Very low | 41.7 | Very low | 84 Ų | 84 | 111.8 Ų | 111.8 | 59% | 0.587 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -71.8 | -31 | 174.6 | -65.5 | 0 | 0 | 0 | 0 | 113.8 | S23 C24 V29 | S23-S27 PolarHBondContact O-N 3.42Å; S23-S27 VanDerWaalsContact O-N 3.12Å; C24-S27 PolarHBondContact O-N 3.13Å; S27-V29 PolarHBondContact O-N 2.95Å |
| 28 | A | 38.5 | Very low | 41.2 | Very low | 52 Ų | 52 | 112.4 Ų | 112.4 | 43% | 0.43 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -68.2 | -32 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | C24 | C24-A28 WeakPolarHBondContact O-CB 3.49Å; C24-A28 PolarHBondContact O-N 3.35Å |
| 29 | V | 44.9 | Very low | 40.7 | Very low | 111 Ų | 111 | 116.9 Ų | 116.9 | 67% | 0.673 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -71.7 | -35.5 | -178.9 | 173.3 | 0 | 0 | 0 | 0 | 111.8 | S27 A31 | S27-V29 PolarHBondContact O-N 2.95Å; V29-A31 PolarHBondContact O-N 2.91Å |
| 30 | T | 42.9 | Very low | 40.4 | Very low | 127 Ų | 127 | 116.9 Ų | 116.9 | 78% | 0.779 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -4.7 | -179.6 | -28.3 | 0 | 0 | 0 | 0 | 113.9 | R26 | R26-T30 PolarHBondContact O-OG1 3.25Š|
| 31 | A | 39 | Very low | 39.9 | Very low | 77 Ų | 77 | 117.8 Ų | 117.8 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | -8 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | V29 G33 | V29-A31 PolarHBondContact O-N 2.91Å; A31-G33 PolarHBondContact O-N 3.01Å |
| 32 | Q | 35.2 | Very low | 39.4 | Very low | 178 Ų | 178 | 119.7 Ų | 119.7 | 83% | 0.832 | 72% | 0.716 | S | S | * | * | trans | -97.2 | 61.6 | -175.3 | -65.7 | -161.5 | 39.7 | 0 | 0 | 113.9 | S34 | Q32-S34 PolarHBondContact O-N 2.89Š| ||
| 33 | G | 33.1 | Very low | 39.2 | Very low | 72 Ų | 72 | 127.2 Ų | 127.2 | 74% | 0.742 | 73% | 0.732 | S | S | * | * | trans | -85 | 44.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | A31 | A31-G33 PolarHBondContact O-N 3.01Š| ||
| 34 | S | 45.7 | Very low | 38.5 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | trans | 63.7 | 156.1 | 176 | -57.6 | 0 | 0 | 0 | 0 | 116.8 | Q32 | Q32-S34 PolarHBondContact O-N 2.89Š| ||
| 35 | P | 39.7 | Very low | 38.3 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | -136 | 155.1 | 84.6 | 37.9 | -25.7 | 0 | 0 | 0 | 114.5 | |||||
| 36 | R | 40.9 | Very low | 38.1 | Very low | 242 Ų | 242 | 131.3 Ų | 131.3 | 91% | 0.913 | 76% | 0.764 | S | S | * | * | trans | -81.2 | 141.8 | 167.2 | -72.4 | 179.9 | 168.9 | -167.8 | -4 | 110.5 | ||||
| 37 | T | 34 | Very low | 37.6 | Very low | 143 Ų | 143 | 127.9 Ų | 127.9 | 88% | 0.877 | 76% | 0.757 | S | S | * | * | trans | -112.9 | 140.1 | 165.9 | 47.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 38 | G | 32.9 | Very low | 37.5 | Very low | 83 Ų | 83 | 131.2 Ų | 131.2 | 86% | 0.856 | 76% | 0.763 | S | S | * | * | trans | 156.5 | 72.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 39 | E | 37 | Very low | 37.3 | Very low | 165 Ų | 165 | 137.5 Ų | 137.5 | 77% | 0.771 | 78% | 0.776 | S | S | * | * | trans | -80.4 | 163.3 | 174.1 | -138.4 | -164.9 | 108.4 | 0 | 0 | 110.8 | A41 | E39-A41 WeakPolarHBondContact OE1-CA 3.31Å; E39-A41 PolarHBondContact OE1-N 3.38Å | ||
| 40 | P | 44.3 | Very low | 36.9 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | -146.7 | 135 | 83.3 | 36.3 | -18.2 | 0 | 0 | 0 | 117.1 | |||||
| 41 | A | 35.5 | Very low | 36.5 | Very low | 74 Ų | 74 | 141.5 Ų | 141.5 | 61% | 0.612 | 77% | 0.771 | S | S | * | * | trans | 28.8 | 119.8 | 139 | 0 | 0 | 0 | 0 | 0 | 120.8 | E39 | E39-A41 WeakPolarHBondContact OE1-CA 3.31Å; E39-A41 PolarHBondContact OE1-N 3.38Å | ||
| 42 | N | 33.5 | Very low | 36.1 | Very low | 170 Ų | 170 | 141.2 Ų | 141.2 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | -139.6 | 161.3 | 129.3 | -154.2 | -8.6 | 0 | 0 | 0 | 111 | |||||
| 43 | R | 38.6 | Very low | 36 | Very low | 239 Ų | 239 | 138 Ų | 138 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | -114.1 | 130.8 | -158.2 | 177.8 | -169.1 | -73.3 | -175.1 | -3.8 | 113.2 | ||||
| 44 | G | 32.1 | Very low | 36.1 | Very low | 78 Ų | 78 | 146.3 Ų | 146.3 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | 121.3 | 146 | 161.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 45 | G | 32.8 | Very low | 35.4 | Very low | 70 Ų | 70 | 146 Ų | 146 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | cis | 163.1 | 145.4 | -6.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 46 | R | 37.1 | Very low | 35.3 | Very low | 237 Ų | 237 | 151.6 Ų | 151.6 | 89% | 0.894 | 80% | 0.798 | S | S | * | * | trans | 67.1 | 160.5 | -178 | -66 | -176.8 | 174.7 | 167.9 | -0.5 | 116.3 | ||||
| 47 | E | 33.2 | Very low | 35.6 | Very low | 133 Ų | 133 | 146 Ų | 146 | 62% | 0.621 | 79% | 0.793 | S | S | * | * | cis | -174.6 | 146.8 | -32.6 | -174.2 | 167.3 | 145.6 | 0 | 0 | 108.9 | ||||
| 48 | Q | 36.3 | Very low | 35.4 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | 64.4 | 158.3 | 163.1 | -86.8 | 178.4 | 77.3 | 0 | 0 | 117.2 | ||||
| 49 | R | 35.5 | Very low | 35.6 | Very low | 183 Ų | 183 | 144.6 Ų | 144.6 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | cis | -162.7 | 138.6 | -27.5 | -145.5 | -174.9 | -179.8 | -134.1 | 6.3 | 109.4 | ||||
| 50 | R | 36.3 | Very low | 36.1 | Very low | 160 Ų | 160 | 142.3 Ų | 142.3 | 60% | 0.604 | 79% | 0.787 | S | S | * | * | trans | 56.9 | 143.9 | 146.7 | -84.7 | 165.8 | 171 | -107.2 | 3.7 | 122.3 | ||||
| 51 | E | 33.8 | Very low | 35.5 | Very low | 163 Ų | 163 | 142 Ų | 142 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | 51.9 | 138.2 | 137.8 | -60.6 | 159.5 | 134.8 | 0 | 0 | 119.3 | ||||
| 52 | G | 30.6 | Very low | 35.3 | Very low | 71 Ų | 71 | 142.7 Ų | 142.7 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | cis | 165.5 | -170.7 | 2.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 53 | A | 33.8 | Very low | 35.2 | Very low | 109 Ų | 109 | 142.5 Ų | 142.5 | 90% | 0.901 | 79% | 0.792 | S | S | * | * | trans | 70.8 | 123.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 54 | R | 34.9 | Very low | 34.9 | Very low | 248 Ų | 248 | 138.7 Ų | 138.7 | 94% | 0.936 | 79% | 0.789 | S | S | * | * | trans | -52.5 | 153.3 | 163 | -70.6 | 168.1 | 157.3 | -166.8 | -5.1 | 114 | ||||
| 55 | A | 31.4 | Very low | 35.9 | Very low | 102 Ų | 102 | 140.8 Ų | 140.8 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | 152.9 | 146.4 | 110.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 56 | R | 36.4 | Very low | 35.7 | Very low | 238 Ų | 238 | 142 Ų | 142 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | trans | -93.5 | -179.7 | 165.8 | -101.2 | -178.6 | 169.9 | -146.5 | 0.1 | 109.5 | ||||
| 57 | P | 47 | Very low | 35.4 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | cis | -129.3 | -175.2 | -11 | 31.8 | -11.2 | 0 | 0 | 0 | 113.5 | ||||
| 58 | G | 30.2 | Very low | 36.4 | Very low | 78 Ų | 78 | 138.2 Ų | 138.2 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | 175.9 | 105.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 59 | S | 36.8 | Very low | 36.1 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -129.7 | 152.7 | 160.7 | -42.2 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 60 | P | 47.7 | Very low | 35.9 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | -156.2 | 169.7 | 62.7 | 42.5 | -21.7 | 0 | 0 | 0 | 119.4 | |||||
| 61 | S | 33 | Very low | 35.7 | Very low | 114 Ų | 114 | 132 Ų | 132 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | trans | 60 | 129.7 | 141.5 | -63.8 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 62 | A | 30.5 | Very low | 35.4 | Very low | 90 Ų | 90 | 127.3 Ų | 127.3 | 74% | 0.744 | 82% | 0.821 | S | S | * | * | trans | 67.3 | 148.5 | 147.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 63 | L | 31.8 | Very low | 35.4 | Very low | 165 Ų | 165 | 130.2 Ų | 130.2 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | cis | -138.7 | 168.7 | 25.4 | -95.6 | 91.1 | 0 | 0 | 0 | 114.2 | ||||
| 64 | L | 32.4 | Very low | 35.4 | Very low | 159 Ų | 159 | 132.6 Ų | 132.6 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | trans | -103.4 | 177.7 | 156.5 | -67.9 | 171.8 | 0 | 0 | 0 | 109.2 | ||||
| 65 | P | 51.6 | Low | 35.1 | Very low | 122 Ų | 122 | 129.2 Ų | 129.2 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | cis | -127.7 | 178.4 | -15.7 | 37.7 | -21.9 | 0 | 0 | 0 | 113.5 | ||||
| 66 | A | 30.3 | Very low | 35.2 | Very low | 97 Ų | 97 | 129.4 Ų | 129.4 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | trans | -172.5 | 152.2 | 141.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 67 | L | 30.8 | Very low | 35.7 | Very low | 167 Ų | 167 | 123.2 Ų | 123.2 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -123.5 | -177 | 166.9 | -70.2 | 172 | 0 | 0 | 0 | 107.5 | ||||
| 68 | P | 52.9 | Low | 34.9 | Very low | 122 Ų | 122 | 126.1 Ų | 126.1 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | -125.8 | 178.6 | -54.6 | 37.2 | -23.4 | 0 | 0 | 0 | 111.7 | |||||
| 69 | A | 30.5 | Very low | 34.8 | Very low | 105 Ų | 105 | 127.5 Ų | 127.5 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | trans | -146.6 | 158 | 163 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 70 | S | 30.5 | Very low | 34.8 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | -142.1 | 153.6 | -164.8 | 59.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 71 | T | 32.7 | Very low | 35 | Very low | 151 Ų | 151 | 127.8 Ų | 127.8 | 93% | 0.926 | 81% | 0.811 | S | S | * | * | trans | 178.6 | 145.7 | 158.1 | 17.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 72 | G | 28.3 | Very low | 35 | Very low | 64 Ų | 64 | 127.6 Ų | 127.6 | 66% | 0.66 | 82% | 0.815 | S | S | * | * | cis | 148.8 | 88 | -17.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 73 | T | 31 | Very low | 34.9 | Very low | 132 Ų | 132 | 126.8 Ų | 126.8 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | trans | -177.1 | 127.2 | 157.5 | 14.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 74 | L | 33.3 | Very low | 34.8 | Very low | 159 Ų | 159 | 123.5 Ų | 123.5 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | 59.3 | 134.2 | 77.5 | -53.9 | -178.5 | 0 | 0 | 0 | 112.7 | |||||
| 75 | E | 27.8 | Very low | 34.7 | Very low | 177 Ų | 177 | 125 Ų | 125 | 83% | 0.827 | 82% | 0.815 | S | S | * | * | cis | -154 | -177.8 | 35 | -167.7 | 163.3 | 85.3 | 0 | 0 | 114.3 | ||||
| 76 | S | 33.5 | Very low | 33.9 | Very low | 106 Ų | 106 | 126.3 Ų | 126.3 | 74% | 0.741 | 82% | 0.815 | S | S | * | * | trans | -164.4 | 163.5 | 177.1 | -76.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 77 | P | 48.1 | Very low | 34.9 | Very low | 107 Ų | 107 | 127.6 Ų | 127.6 | 70% | 0.695 | 82% | 0.815 | S | S | * | * | cis | -158.7 | -167.1 | 43.8 | 44.1 | -20.3 | 0 | 0 | 0 | 119 | ||||
| 78 | Q | 30.1 | Very low | 34.8 | Very low | 186 Ų | 186 | 124.1 Ų | 124.1 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | trans | 62.2 | 128.5 | 146.5 | -85.2 | 177.2 | -45.4 | 0 | 0 | 123.5 | ||||
| 79 | A | 28.5 | Very low | 34 | Very low | 107 Ų | 107 | 122.4 Ų | 122.4 | 88% | 0.884 | 81% | 0.806 | S | S | * | * | -165.7 | 152.8 | 116.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 80 | S | 35.8 | Very low | 34.9 | Very low | 111 Ų | 111 | 122.9 Ų | 122.9 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -161.8 | 148 | 166.9 | 178.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 81 | P | 52.3 | Low | 35 | Very low | 131 Ų | 131 | 124.1 Ų | 124.1 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | -145.9 | -174 | 127.6 | 37.5 | -21 | 0 | 0 | 0 | 114.3 | |||||
| 82 | A | 31.7 | Very low | 35.4 | Very low | 109 Ų | 109 | 124.2 Ų | 124.2 | 90% | 0.901 | 79% | 0.792 | S | S | * | * | trans | -129.6 | 171.8 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 83 | G | 29.8 | Very low | 35.6 | Very low | 73 Ų | 73 | 125.6 Ų | 125.6 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | 152.4 | 119 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 84 | A | 29 | Very low | 35.7 | Very low | 97 Ų | 97 | 122.8 Ų | 122.8 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | cis | 102.7 | 98.9 | 20.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 85 | H | 30.1 | Very low | 35.6 | Very low | 190 Ų | 190 | 124.7 Ų | 124.7 | 88% | 0.88 | 80% | 0.8 | S | S | * | * | trans | -166.3 | 145.4 | 142.1 | -123.8 | -87.4 | 0 | 0 | 0 | 113.7 | ||||
| 86 | L | 35.8 | Very low | 35.8 | Very low | 150 Ų | 150 | 120.6 Ų | 120.6 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -118.6 | 176.1 | 161.4 | -83.1 | 175.3 | 0 | 0 | 0 | 106.7 | ||||
| 87 | P | 51.2 | Low | 35.5 | Very low | 124 Ų | 124 | 122.6 Ų | 122.6 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | cis | -137.2 | -156.9 | 28.9 | 38.2 | -12.3 | 0 | 0 | 0 | 112 | ||||
| 88 | A | 27.3 | Very low | 34.8 | Very low | 93 Ų | 93 | 122.7 Ų | 122.7 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | cis | -155.1 | 163.8 | 12.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 89 | A | 37.5 | Very low | 34.9 | Very low | 86 Ų | 86 | 121.1 Ų | 121.1 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | -97 | 168.7 | 157.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 90 | P | 49.3 | Very low | 35.6 | Very low | 115 Ų | 115 | 121.3 Ų | 121.3 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | -136.6 | -165.1 | 91.8 | 11.5 | 13.6 | 0 | 0 | 0 | 111.6 | |||||
| 91 | D | 32.2 | Very low | 35.6 | Very low | 139 Ų | 139 | 124.2 Ų | 124.2 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | cis | -179.1 | 165.9 | -35.1 | -86.3 | -6 | 0 | 0 | 0 | 105.6 | ||||
| 92 | L | 40.7 | Very low | 34.4 | Very low | 152 Ų | 152 | 127 Ų | 127 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | cis | -163.6 | 168.3 | -14.1 | -103.9 | 168.7 | 0 | 0 | 0 | 105.1 | ||||
| 93 | A | 33 | Very low | 34.6 | Very low | 94 Ų | 94 | 130.7 Ų | 130.7 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | cis | -124.6 | -120.2 | 0.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 94 | G | 31.9 | Very low | 34.7 | Very low | 73 Ų | 73 | 132.2 Ų | 132.2 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | cis | 147.6 | 146.3 | -1.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 95 | Q | 31.8 | Very low | 34.9 | Very low | 199 Ų | 199 | 135.9 Ų | 135.9 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | cis | -154.8 | 151.9 | -8.6 | -176.8 | 168.5 | -1.8 | 0 | 0 | 108.9 | ||||
| 96 | A | 31.8 | Very low | 35.2 | Very low | 91 Ų | 91 | 131.9 Ų | 131.9 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | -100.2 | 150.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 97 | T | 27.9 | Very low | 35 | Very low | 148 Ų | 148 | 132 Ų | 132 | 91% | 0.908 | 79% | 0.786 | S | S | * | * | trans | -137.6 | 161.5 | 164 | 50.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 98 | S | 33.4 | Very low | 34.3 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | -134 | 167.4 | -154.4 | 55 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 99 | E | 32.6 | Very low | 34.7 | Very low | 152 Ų | 152 | 136.6 Ų | 136.6 | 71% | 0.71 | 79% | 0.791 | S | S | * | * | trans | 73.4 | 154 | 172.7 | -68 | -57 | 101.9 | 0 | 0 | 117.6 | ||||
| 100 | P | 41.9 | Very low | 34.6 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | cis | -125.8 | 164.2 | 10.7 | 41.5 | -27.6 | 0 | 0 | 0 | 118.4 | ||||
| 101 | E | 35.5 | Very low | 34.2 | Very low | 172 Ų | 172 | 143 Ų | 143 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | 6 | 138.1 | 149.9 | -53.4 | -177.9 | 92.9 | 0 | 0 | 121.5 | ||||
| 102 | K | 27.3 | Very low | 34.7 | Very low | 191 Ų | 191 | 137.1 Ų | 137.1 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | 178.4 | 107.7 | 107.3 | -174.7 | 171.4 | -178.1 | 179.8 | 0 | 115.4 | |||||
| 103 | M | 36.4 | Very low | 34.8 | Very low | 185 Ų | 185 | 132.6 Ų | 132.6 | 91% | 0.911 | 75% | 0.748 | S | S | * | * | trans | 23.6 | 114.5 | 139.5 | -167.1 | -175 | -135.1 | 0 | 0 | 120.6 | ||||
| 104 | A | 31.3 | Very low | 35.5 | Very low | 105 Ų | 105 | 128.4 Ų | 128.4 | 87% | 0.868 | 71% | 0.713 | S | S | * | * | trans | -148.2 | 121.1 | 153.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 105 | Q | 34.4 | Very low | 36.4 | Very low | 175 Ų | 175 | 126.2 Ų | 126.2 | 82% | 0.818 | 69% | 0.69 | S | S | * | * | trans | -99.8 | 143.6 | 179.2 | -175 | 76.2 | -4.5 | 0 | 0 | 110.4 | ||||
| 106 | S | 37 | Very low | 37.3 | Very low | 106 Ų | 106 | 117.9 Ų | 117.9 | 74% | 0.741 | 65% | 0.651 | S | S | * | * | trans | 62.8 | 133.1 | 161.1 | 68.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 107 | K | 30.8 | Very low | 38.3 | Very low | 151 Ų | 151 | 117.4 Ų | 117.4 | 66% | 0.657 | 64% | 0.636 | S | S | * | * | -143 | 140.5 | 108.2 | -121.4 | 166.9 | -175.3 | 169.6 | 0 | 109.9 | G130 | K107-G130 PolarHBondContact NZ-O 2.93Š| |||
| 108 | L | 35.3 | Very low | 39.4 | Very low | 158 Ų | 158 | 114.5 Ų | 114.5 | 83% | 0.827 | 62% | 0.621 | S | S | * | * | trans | -75.2 | 132.5 | 157.4 | -71.9 | 163.5 | 0 | 0 | 0 | 106.1 | C110 | L108-C110 PolarHBondContact O-N 2.89Å; L108-C110 PolarHBondContact O-SG 3.12Å; L108-C110 VanDerWaalsContact O-SG 3.36Å | ||
| 109 | D | 36.9 | Very low | 40.3 | Very low | 157 Ų | 157 | 111.1 Ų | 111.1 | 84% | 0.84 | 60% | 0.597 | S | S | * | * | trans | -62.5 | 103.5 | 179 | -70.9 | -63.1 | 0 | 0 | 0 | 110.3 | R111 | D109-R111 PolarHBondContact O-N 3.46Š| ||
| 110 | C | 36.1 | Very low | 41 | Very low | 117 Ų | 117 | 110 Ų | 110 | 79% | 0.791 | 60% | 0.596 | S | S | * | * | trans | -76.5 | 52.8 | 176.6 | -62.9 | 0 | 0 | 0 | 0 | 110.4 | L108 S112 | L108-C110 PolarHBondContact O-N 2.89Å; L108-C110 PolarHBondContact O-SG 3.12Å; L108-C110 VanDerWaalsContact O-SG 3.36Å; C110-S112 PolarHBondContact O-N 3.3Å | ||
| 111 | R | 41 | Very low | 41.2 | Very low | 217 Ų | 217 | 109.1 Ų | 109.1 | 82% | 0.819 | 59% | 0.591 | S | S | * | * | trans | -67.3 | 104.2 | -179.7 | -172.1 | 177.6 | -174.5 | -162.5 | -1.2 | 108.9 | D109 | D109-R111 PolarHBondContact O-N 3.46Š| ||
| 112 | S | 42 | Very low | 41.8 | Very low | 17 Ų | 17 | 102.1 Ų | 102.1 | 12% | 0.119 | 56% | 0.561 | C | S | . | * | trans | -61 | 133.5 | 178.2 | -170 | 0 | 0 | 0 | 0 | 109.8 | C110 V114 G115 | C110-S112 PolarHBondContact O-N 3.3Å; S112-V114 PolarHBondContact O-N 3.3Å; S112-G115 PolarHBondContact O-N 2.79Å; S112-G115 VanDerWaalsContact O-N 3.12Å | ||
| 113 | P | 41.6 | Very low | 43.2 | Very low | 57 Ų | 57 | 96.2 Ų | 96.2 | 37% | 0.37 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -17.4 | 179.2 | -26.4 | 35.3 | 0 | 0 | 0 | 114.7 | T164 | P113-T164 HydrophobicContact CB-CG2 4.43Š|
| 114 | V | 48.6 | Very low | 43.8 | Very low | 6 Ų | 6 | 93.2 Ų | 93.2 | 4% | 0.036 | 53% | 0.526 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 3.3 | -174.4 | -158.1 | 0 | 0 | 0 | 0 | 112.7 | S112 L116 L157 M171 | S112-V114 PolarHBondContact O-N 3.3Å; V114-L116 VanDerWaalsContact C-N 3.34Å; V114-L116 HydrophobicContact CB-CG 4.24Å; V114-L116 HydrophobicContact CG1-CD2 4.18Å; V114-L116 HydrophobicContact CG1-CG 4.27Å; V114-L116 PolarHBondContact O-N 3.49Å; V114-L116 VanDerWaalsContact O-N 3.13Å; V114-L157 HydrophobicContact CG2-CB 4.38Å; V114-M171 VanDerWaalsContact O-CE 3.27Å; V114-M171 WeakPolarHBondContact O-CE 3.47Å |
| 115 | G | 50.5 | Low | 44.6 | Very low | 26 Ų | 26 | 89.3 Ų | 89.3 | 27% | 0.268 | 49% | 0.49 | S | S | . | . | trans | 54.5 | 36.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | S112 D117 H208 | S112-G115 PolarHBondContact O-N 2.79Å; S112-G115 VanDerWaalsContact O-N 3.12Å; G115-D117 PolarHBondContact O-N 2.95Å; G115-H208 PolarHBondContact O-CE1 3.44Å; G115-H208 VanDerWaalsContact O-CE1 3.28Å | ||
| 116 | L | 51 | Low | 45.4 | Very low | 24 Ų | 24 | 83 Ų | 83 | 13% | 0.126 | 47% | 0.468 | C | S | . | . | trans | -78.2 | 7.9 | -171.1 | -61.8 | 176.6 | 0 | 0 | 0 | 114.6 | V114 C118 C122 L204 | V114-L116 VanDerWaalsContact C-N 3.34Å; V114-L116 HydrophobicContact CB-CG 4.24Å; V114-L116 HydrophobicContact CG1-CD2 4.18Å; V114-L116 HydrophobicContact CG1-CG 4.27Å; V114-L116 PolarHBondContact O-N 3.49Å; V114-L116 VanDerWaalsContact O-N 3.13Å; L116-C118 PolarHBondContact O-N 2.73Å; L116-C122 HydrophobicContact CB-CB 4.44Å; L116-C122 WeakPolarHBondContact O-CB 3.46Å; L116-L204 HydrophobicContact CD1-CD2 4.31Å; L116-L204 HydrophobicContact CD2-CD2 4.19Å | ||
| 117 | D | 52.9 | Low | 45.8 | Very low | 82 Ų | 82 | 84.7 Ų | 84.7 | 44% | 0.439 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 19 | -162.3 | -48.8 | -69.5 | 0 | 0 | 0 | 115.2 | G115 | G115-D117 PolarHBondContact O-N 2.95Š|
| 118 | C | 51.2 | Low | 46.6 | Very low | 86 Ų | 86 | 85.4 Ų | 85.4 | 58% | 0.581 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108 | -7.9 | -165.6 | -60.4 | 0 | 0 | 0 | 0 | 115.8 | L116 | L116-C118 PolarHBondContact O-N 2.73Š|
| 119 | C | 52 | Low | 47 | Very low | 38 Ų | 38 | 80.8 Ų | 80.8 | 26% | 0.257 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -120.6 | 147.5 | 173.2 | 85.2 | 0 | 0 | 0 | 0 | 112 | C121 C122 L123 | C119-C121 WeakPolarHBondContact CB-SG 3.39Å; C119-C121 PolarHBondContact O-N 2.79Å; C119-C121 VanDerWaalsContact O-N 3.14Å; C119-C121 WeakPolarHBondContact SG-CB 3.39Å; C119-C121 CovalentContact SG-SG 2.05Å; C119-C121 PolarHBondContact SG-SG 3.24Å; C119-C122 PolarHBondContact O-N 2.85Å; C119-C122 PolarHBondContact SG-N 3.02Å; C119-L123 PolarHBondContact O-N 2.94Å |
| 120 | N | 47.5 | Very low | 47.3 | Very low | 128 Ų | 128 | 75 Ų | 75 | 68% | 0.684 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -53.3 | -35.9 | 174.4 | -70.5 | -18.6 | 0 | 0 | 0 | 112 | C122 L123 D124 | N120-C122 VanDerWaalsContact C-N 3.29Å; N120-C122 PolarHBondContact O-N 3.42Å; N120-L123 PolarHBondContact O-N 3.28Å; N120-D124 PolarHBondContact O-N 3.34Å |
| 121 | C | 45.7 | Very low | 47.6 | Very low | 94 Ų | 94 | 76.6 Ų | 76.6 | 64% | 0.635 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -54.7 | -37.4 | 172.3 | 27 | 0 | 0 | 0 | 0 | 114.6 | C119 | C119-C121 WeakPolarHBondContact CB-SG 3.39Å; C119-C121 PolarHBondContact O-N 2.79Å; C119-C121 VanDerWaalsContact O-N 3.14Å; C119-C121 WeakPolarHBondContact SG-CB 3.39Å; C119-C121 CovalentContact SG-SG 2.05Å; C119-C121 PolarHBondContact SG-SG 3.24Å |
| 122 | C | 48.5 | Very low | 47.7 | Very low | 24 Ų | 24 | 74.4 Ų | 74.4 | 16% | 0.162 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -89.5 | -30.4 | 178 | -70.9 | 0 | 0 | 0 | 0 | 112 | L116 C119 N120 L125 A126 | L116-C122 HydrophobicContact CB-CB 4.44Å; L116-C122 WeakPolarHBondContact O-CB 3.46Å; C119-C122 PolarHBondContact O-N 2.85Å; C119-C122 PolarHBondContact SG-N 3.02Å; N120-C122 VanDerWaalsContact C-N 3.29Å; N120-C122 PolarHBondContact O-N 3.42Å; C122-L125 PolarHBondContact O-N 2.94Å; C122-A126 WeakPolarHBondContact O-CB 3.4Å; C122-A126 PolarHBondContact O-N 3.06Å |
| 123 | L | 55.7 | Low | 47.8 | Very low | 67 Ų | 67 | 85.5 Ų | 85.5 | 35% | 0.351 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.2 | -45.7 | 173.8 | -67.9 | 171.7 | 0 | 0 | 0 | 111.7 | C119 N120 L125 A126 H127 | C119-L123 PolarHBondContact O-N 2.94Å; N120-L123 PolarHBondContact O-N 3.28Å; L123-L125 VanDerWaalsContact C-N 3.31Å; L123-L125 PolarHBondContact O-N 3.46Å; L123-A126 PolarHBondContact O-N 3.48Å; L123-H127 WeakPolarHBondContact O-CB 3.25Å; L123-H127 PolarHBondContact O-CD2 3.37Å; L123-H127 VanDerWaalsContact O-CD2 3.31Å; L123-H127 PolarHBondContact O-N 2.96Å |
| 124 | D | 49 | Very low | 47.6 | Very low | 123 Ų | 123 | 85.8 Ų | 85.8 | 66% | 0.658 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60 | -41.2 | 173.6 | -82.4 | -29.8 | 0 | 0 | 0 | 111.8 | N120 H127 R128 | N120-D124 PolarHBondContact O-N 3.34Å; D124-H127 PolarHBondContact O-N 3.48Å; D124-R128 PolarHBondContact O-N 2.7Å; D124-R128 VanDerWaalsContact O-N 3.1Å |
| 125 | L | 49.6 | Very low | 47.3 | Very low | 22 Ų | 22 | 93 Ų | 93 | 12% | 0.115 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -68.5 | -36 | 179.4 | -168.4 | 59 | 0 | 0 | 0 | 112.5 | C122 L123 S129 V147 F150 | C122-L125 PolarHBondContact O-N 2.94Å; L123-L125 VanDerWaalsContact C-N 3.31Å; L123-L125 PolarHBondContact O-N 3.46Å; L125-S129 PolarHBondContact O-OG 2.9Å; L125-V147 HydrophobicContact CD1-CG1 3.62Å; L125-F150 HydrophobicContact CD2-CD1 4.47Å |
| 126 | A | 49.8 | Very low | 47.3 | Very low | 42 Ų | 42 | 97.6 Ų | 97.6 | 35% | 0.347 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -70.7 | -46.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | C122 L123 R128 S129 G130 | C122-A126 WeakPolarHBondContact O-CB 3.4Å; C122-A126 PolarHBondContact O-N 3.06Å; L123-A126 PolarHBondContact O-N 3.48Å; A126-R128 VanDerWaalsContact C-N 3.28Å; A126-R128 PolarHBondContact O-N 2.87Å; A126-S129 WeakPolarHBondContact O-CB 3.25Å; A126-S129 PolarHBondContact O-N 2.92Å; A126-G130 PolarHBondContact O-N 3.44Å |
| 127 | H | 45.4 | Very low | 46.6 | Very low | 143 Ų | 143 | 99.8 Ų | 99.8 | 66% | 0.662 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -59.6 | -36.7 | 178.9 | -90.2 | -115.8 | 0 | 0 | 0 | 112.5 | L123 D124 S129 | L123-H127 WeakPolarHBondContact O-CB 3.25Å; L123-H127 PolarHBondContact O-CD2 3.37Å; L123-H127 VanDerWaalsContact O-CD2 3.31Å; L123-H127 PolarHBondContact O-N 2.96Å; D124-H127 PolarHBondContact O-N 3.48Å; H127-S129 VanDerWaalsContact C-N 3.26Å; H127-S129 PolarHBondContact O-N 3.27Å |
| 128 | R | 48.5 | Very low | 46.2 | Very low | 165 Ų | 165 | 104.2 Ų | 104.2 | 62% | 0.623 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -5.1 | 176.3 | -137.3 | -177.8 | -162.3 | -80.3 | 6.8 | 114.7 | D124 A126 R151 | D124-R128 PolarHBondContact O-N 2.7Å; D124-R128 VanDerWaalsContact O-N 3.1Å; A126-R128 VanDerWaalsContact C-N 3.28Å; A126-R128 PolarHBondContact O-N 2.87Å; R128-R151 PolarHBondContact O-NH2 3.45Å |
| 129 | S | 44.2 | Very low | 45.6 | Very low | 61 Ų | 61 | 106.9 Ų | 106.9 | 43% | 0.427 | 59% | 0.593 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.1 | -33.6 | 175.5 | -54.5 | 0 | 0 | 0 | 0 | 111.7 | L125 A126 H127 L131 R151 | L125-S129 PolarHBondContact O-OG 2.9Å; A126-S129 WeakPolarHBondContact O-CB 3.25Å; A126-S129 PolarHBondContact O-N 2.92Å; H127-S129 VanDerWaalsContact C-N 3.26Å; H127-S129 PolarHBondContact O-N 3.27Å; S129-L131 PolarHBondContact O-N 3.31Å; S129-R151 PolarHBondContact OG-NH2 3.26Å |
| 130 | G | 42.8 | Very low | 45.2 | Very low | 36 Ų | 36 | 111.7 Ų | 111.7 | 37% | 0.371 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.3 | 23.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | K107 A126 | K107-G130 PolarHBondContact NZ-O 2.93Å; A126-G130 PolarHBondContact O-N 3.44Å |
| 131 | L | 42.4 | Very low | 45.1 | Very low | 151 Ų | 151 | 111.8 Ų | 111.8 | 79% | 0.791 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.4 | -6.4 | -173.6 | -103.7 | 170.2 | 0 | 0 | 0 | 116.6 | S129 R133 | S129-L131 PolarHBondContact O-N 3.31Å; L131-R133 PolarHBondContact O-N 3.43Å; L131-R133 VanDerWaalsContact O-N 3.07Å |
| 132 | Q | 42.5 | Very low | 45.1 | Very low | 170 Ų | 170 | 112.9 Ų | 112.9 | 79% | 0.794 | 62% | 0.623 | S | S | * | * | trans | -90.7 | 63.9 | -172.6 | -159.6 | 155.3 | 23.7 | 0 | 0 | 114 | ||||
| 133 | R | 45.2 | Very low | 45 | Very low | 251 Ų | 251 | 114.8 Ų | 114.8 | 95% | 0.947 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -136.4 | 60.2 | 162.3 | -168 | -177.3 | -108.4 | -134.9 | -1.7 | 110.4 | L131 | L131-R133 PolarHBondContact O-N 3.43Å; L131-R133 VanDerWaalsContact O-N 3.07Å |
| 134 | G | 37 | Very low | 44.6 | Very low | 63 Ų | 63 | 114.7 Ų | 114.7 | 65% | 0.649 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -178.2 | 144.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 135 | N | 41.9 | Very low | 44.6 | Very low | 157 Ų | 157 | 113.6 Ų | 113.6 | 84% | 0.84 | 65% | 0.651 | S | S | * | * | trans | -44.4 | 143 | -167.4 | -62.9 | 1.3 | 0 | 0 | 0 | 118.3 | ||||
| 136 | S | 49.6 | Very low | 44.6 | Very low | 123 Ų | 123 | 117.3 Ų | 117.3 | 86% | 0.86 | 68% | 0.675 | S | S | * | * | trans | 42.1 | 106.9 | 132.7 | -47.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 137 | G | 36.8 | Very low | 44.7 | Very low | 69 Ų | 69 | 118.6 Ų | 118.6 | 71% | 0.711 | 68% | 0.678 | S | S | * | * | trans | -174.2 | 103.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 112 | N139 | G137-N139 PolarHBondContact O-N 3.35Š| ||
| 138 | E | 44.7 | Very low | 45.4 | Very low | 175 Ų | 175 | 115.5 Ų | 115.5 | 82% | 0.818 | 67% | 0.673 | S | S | * | * | trans | -77 | 75.6 | -175 | -72.2 | -177.8 | 77.6 | 0 | 0 | 113.6 | N140 | E138-N140 VanDerWaalsContact C-N 3.34Å; E138-N140 PolarHBondContact O-N 2.94Å; E138-N140 VanDerWaalsContact O-N 3.13Å | ||
| 139 | N | 39.7 | Very low | 45.9 | Very low | 142 Ų | 142 | 112.5 Ų | 112.5 | 76% | 0.759 | 67% | 0.669 | S | S | * | * | trans | -84.2 | 81.3 | 167.3 | -74.5 | -41.2 | 0 | 0 | 0 | 110.2 | G137 N141 | G137-N139 PolarHBondContact O-N 3.35Å; N139-N141 VanDerWaalsContact C-N 3.34Å; N139-N141 PolarHBondContact O-N 3.37Å | ||
| 140 | N | 43.3 | Very low | 46.4 | Very low | 139 Ų | 139 | 112.6 Ų | 112.6 | 74% | 0.743 | 66% | 0.662 | S | S | * | * | trans | -68 | 83.4 | 178.4 | -79.6 | -58.4 | 0 | 0 | 0 | 112 | E138 | E138-N140 VanDerWaalsContact C-N 3.34Å; E138-N140 PolarHBondContact O-N 2.94Å; E138-N140 VanDerWaalsContact O-N 3.13Å | ||
| 141 | N | 45.1 | Very low | 47.4 | Very low | 131 Ų | 131 | 114.3 Ų | 114.3 | 70% | 0.701 | 66% | 0.657 | S | S | * | * | trans | -123 | 108.3 | 163.3 | -167.3 | -18.9 | 0 | 0 | 0 | 108 | N139 G143 | N139-N141 VanDerWaalsContact C-N 3.34Å; N139-N141 PolarHBondContact O-N 3.37Å; N141-G143 PolarHBondContact O-N 2.87Å | ||
| 142 | P | 45 | Very low | 48.3 | Very low | 117 Ų | 117 | 112.8 Ų | 112.8 | 76% | 0.76 | 65% | 0.646 | S | S | * | * | trans | -70 | 103.5 | -175.9 | 28.3 | -33.3 | 0 | 0 | 0 | 109.7 | S144 | P142-S144 PolarHBondContact O-N 3.08Š| ||
| 143 | G | 47.4 | Very low | 49.2 | Very low | 64 Ų | 64 | 105.2 Ų | 105.2 | 66% | 0.66 | 61% | 0.611 | S | S | * | * | trans | -55.4 | 129.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | N141 | N141-G143 PolarHBondContact O-N 2.87Š| ||
| 144 | S | 45.9 | Very low | 49.8 | Very low | 65 Ų | 65 | 95.3 Ų | 95.3 | 46% | 0.455 | 58% | 0.576 | S | S | . | * | trans | -49 | 135.3 | -176.2 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | P142 T146 V147 | P142-S144 PolarHBondContact O-N 3.08Å; S144-T146 PolarHBondContact O-N 3.5Å; S144-V147 WeakPolarHBondContact O-CB 3.38Å; S144-V147 PolarHBondContact O-N 3.08Å | ||
| 145 | P | 48.9 | Very low | 50.9 | Low | 99 Ų | 99 | 97.2 Ų | 97.2 | 64% | 0.643 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -57.1 | -27.4 | -170.5 | 20.2 | -33.1 | 0 | 0 | 0 | 113.9 | V147 S148 N149 | P145-V147 VanDerWaalsContact C-N 3.26Å; P145-V147 PolarHBondContact O-N 3.4Å; P145-S148 PolarHBondContact O-N 2.95Å; P145-N149 PolarHBondContact O-N 3.17Å; P145-N149 PolarHBondContact O-ND2 3.33Å |
| 146 | T | 50.5 | Low | 51.6 | Low | 100 Ų | 100 | 93.2 Ų | 93.2 | 61% | 0.613 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -57 | -38.3 | 173 | -37.6 | 0 | 0 | 0 | 0 | 112.5 | S144 N149 F150 | S144-T146 PolarHBondContact O-N 3.5Å; T146-N149 PolarHBondContact O-N 3.36Å; T146-F150 PolarHBondContact O-N 3.01Å; T146-F150 VanDerWaalsContact O-N 3.16Å |
| 147 | V | 52.9 | Low | 52.1 | Low | 69 Ų | 69 | 87.7 Ų | 87.7 | 42% | 0.418 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.3 | -36.1 | -176.6 | -175 | 0 | 0 | 0 | 0 | 111.5 | L125 S144 P145 F150 R151 | L125-V147 HydrophobicContact CD1-CG1 3.62Å; S144-V147 WeakPolarHBondContact O-CB 3.38Å; S144-V147 PolarHBondContact O-N 3.08Å; P145-V147 VanDerWaalsContact C-N 3.26Å; P145-V147 PolarHBondContact O-N 3.4Å; V147-F150 PolarHBondContact O-N 2.71Å; V147-R151 PolarHBondContact O-N 3.26Å |
| 148 | S | 59.4 | Low | 53.1 | Low | 79 Ų | 79 | 87.6 Ų | 87.6 | 55% | 0.552 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.8 | -42.7 | 178.1 | -166.1 | 0 | 0 | 0 | 0 | 111.7 | P145 F150 R151 Q152 | P145-S148 PolarHBondContact O-N 2.95Å; S148-F150 VanDerWaalsContact C-N 3.33Å; S148-F150 PolarHBondContact O-N 2.62Å; S148-R151 PolarHBondContact O-N 3.07Å; S148-Q152 WeakPolarHBondContact O-CB 3.47Å; S148-Q152 PolarHBondContact O-N 3.22Å |
| 149 | N | 58.6 | Low | 53.5 | Low | 101 Ų | 101 | 88 Ų | 88 | 54% | 0.54 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.2 | -40.5 | 177.4 | -72.6 | -88.5 | 0 | 0 | 0 | 111 | P145 T146 Q152 L153 | P145-N149 PolarHBondContact O-N 3.17Å; P145-N149 PolarHBondContact O-ND2 3.33Å; T146-N149 PolarHBondContact O-N 3.36Å; N149-Q152 PolarHBondContact O-N 2.88Å; N149-L153 WeakPolarHBondContact O-CB 3.23Å; N149-L153 PolarHBondContact O-N 3.45Å |
| 150 | F | 55.5 | Low | 54.4 | Low | 64 Ų | 64 | 84.3 Ų | 84.3 | 28% | 0.281 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 178.1 | -141 | -102.2 | 0 | 0 | 0 | 112.5 | L125 T146 V147 S148 Q154 M200 L204 | L125-F150 HydrophobicContact CD2-CD1 4.47Å; T146-F150 PolarHBondContact O-N 3.01Å; T146-F150 VanDerWaalsContact O-N 3.16Å; V147-F150 PolarHBondContact O-N 2.71Å; S148-F150 VanDerWaalsContact C-N 3.33Å; S148-F150 PolarHBondContact O-N 2.62Å; F150-Q154 WeakPolarHBondContact O-CB 3.15Å; F150-Q154 PolarHBondContact O-N 3.17Å; F150-M200 HydrophobicContact CD2-CE 4.39Å; F150-L204 HydrophobicContact CE1-CD2 3.66Å; F150-L204 HydrophobicContact CE2-CD2 4.26Å; F150-L204 HydrophobicContact CZ-CD2 3.37Å; F150-L204 HydrophobicContact CZ-CG 4.11Å |
| 151 | R | 63.2 | Low | 55.3 | Low | 71 Ų | 71 | 84.4 Ų | 84.4 | 27% | 0.268 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.2 | -48.1 | 171.8 | 173.9 | -179.5 | -87.8 | -172 | -9.1 | 111.7 | R128 S129 V147 S148 L153 Q154 E155 | R128-R151 PolarHBondContact O-NH2 3.45Å; S129-R151 PolarHBondContact OG-NH2 3.26Å; V147-R151 PolarHBondContact O-N 3.26Å; S148-R151 PolarHBondContact O-N 3.07Å; R151-L153 VanDerWaalsContact C-N 3.26Å; R151-L153 PolarHBondContact O-N 3.42Å; R151-Q154 CarbonylContact O-C 3.59Å; R151-Q154 WeakPolarHBondContact O-CA 3.37Å; R151-Q154 WeakPolarHBondContact O-CB 3.35Å; R151-Q154 PolarHBondContact O-N 2.76Å; R151-E155 WeakPolarHBondContact CD-OE1 3.44Å; R151-E155 HydrophobicContact CG-CG 4.44Å; R151-E155 WeakPolarHBondContact CG-OE1 3.07Å; R151-E155 WeakPolarHBondContact O-CG 3.23Å; R151-E155 PolarHBondContact O-N 2.93Å |
| 152 | Q | 62.1 | Low | 56.5 | Low | 120 Ų | 120 | 78.9 Ų | 78.9 | 56% | 0.561 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -62.6 | -35.1 | -179.2 | -171 | 176.4 | 6.4 | 0 | 0 | 112.1 | S148 N149 E155 K156 | S148-Q152 WeakPolarHBondContact O-CB 3.47Å; S148-Q152 PolarHBondContact O-N 3.22Å; N149-Q152 PolarHBondContact O-N 2.88Å; Q152-E155 PolarHBondContact O-N 3.46Å; Q152-K156 PolarHBondContact O-N 2.97Å |
| 153 | L | 60.2 | Low | 58 | Low | 10 Ų | 10 | 76.2 Ų | 76.2 | 5% | 0.052 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -68.6 | -42.3 | 170.5 | 178.7 | 69 | 0 | 0 | 0 | 112.2 | N149 R151 E155 K156 L157 D197 M200 L204 | N149-L153 WeakPolarHBondContact O-CB 3.23Å; N149-L153 PolarHBondContact O-N 3.45Å; R151-L153 VanDerWaalsContact C-N 3.26Å; R151-L153 PolarHBondContact O-N 3.42Å; L153-E155 PolarHBondContact O-N 3.28Å; L153-K156 WeakPolarHBondContact O-CB 3.36Å; L153-K156 PolarHBondContact O-N 3.05Å; L153-L157 HydrophobicContact CD1-CD1 4.32Å; L153-L157 HydrophobicContact CD1-CG 4.36Å; L153-L157 HydrophobicContact CD2-CD1 4.49Å; L153-L157 HydrophobicContact CG-CD1 3.94Å; L153-L157 HydrophobicContact CG-CG 4.39Å; L153-L157 WeakPolarHBondContact O-CB 3.36Å; L153-L157 VanDerWaalsContact O-CG 3.26Å; L153-L157 WeakPolarHBondContact O-CG 3.38Å; L153-L157 PolarHBondContact O-N 3.35Å; L153-D197 HydrophobicContact CD1-CB 4.33Å; L153-M200 HydrophobicContact CD1-CB 4.32Å; L153-M200 HydrophobicContact CD2-CB 3.4Å; L153-M200 HydrophobicContact CD2-CE 3.97Å; L153-M200 HydrophobicContact CD2-CG 4.14Å; L153-L204 HydrophobicContact CD2-CD1 3.67Å; L153-L204 HydrophobicContact CG-CD1 4.37Å |
| 154 | Q | 58.8 | Low | 59.3 | Low | 44 Ų | 44 | 75.9 Ų | 75.9 | 21% | 0.206 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -59.2 | -39.2 | 173.8 | -170.5 | -179.2 | 21.5 | 0 | 0 | 110.9 | F150 R151 L157 V158 | F150-Q154 WeakPolarHBondContact O-CB 3.15Å; F150-Q154 PolarHBondContact O-N 3.17Å; R151-Q154 CarbonylContact O-C 3.59Å; R151-Q154 WeakPolarHBondContact O-CA 3.37Å; R151-Q154 WeakPolarHBondContact O-CB 3.35Å; R151-Q154 PolarHBondContact O-N 2.76Å; Q154-L157 PolarHBondContact O-N 3.37Å; Q154-V158 WeakPolarHBondContact O-CB 3.37Å; Q154-V158 WeakPolarHBondContact O-CG2 3.49Å; Q154-V158 PolarHBondContact O-N 3.28Å |
| 155 | E | 59.9 | Low | 60.6 | Low | 102 Ų | 102 | 79.3 Ų | 79.3 | 48% | 0.477 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.1 | -44.4 | 174.7 | -71.7 | 164.3 | -173.5 | 0 | 0 | 111.7 | R151 Q152 L153 L157 V158 F159 | R151-E155 WeakPolarHBondContact CD-OE1 3.44Å; R151-E155 HydrophobicContact CG-CG 4.44Å; R151-E155 WeakPolarHBondContact CG-OE1 3.07Å; R151-E155 WeakPolarHBondContact O-CG 3.23Å; R151-E155 PolarHBondContact O-N 2.93Å; Q152-E155 PolarHBondContact O-N 3.46Å; L153-E155 PolarHBondContact O-N 3.28Å; E155-L157 PolarHBondContact O-N 3.41Å; E155-V158 PolarHBondContact O-N 2.98Å; E155-F159 WeakPolarHBondContact O-CD2 3.5Å; E155-F159 PolarHBondContact O-N 3.46Å; E155-F159 VanDerWaalsContact O-N 3.16Å |
| 156 | K | 56.5 | Low | 61.9 | Low | 74 Ų | 74 | 78.3 Ų | 78.3 | 32% | 0.322 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -53.7 | -51.1 | 168.2 | -78 | -169.4 | 176.9 | -171.1 | 0 | 111.5 | Q152 L153 V158 F159 E160 N195 D197 | Q152-K156 PolarHBondContact O-N 2.97Å; L153-K156 WeakPolarHBondContact O-CB 3.36Å; L153-K156 PolarHBondContact O-N 3.05Å; K156-V158 PolarHBondContact O-N 3.34Å; K156-F159 PolarHBondContact O-N 2.95Å; K156-F159 VanDerWaalsContact O-N 3.16Å; K156-E160 WeakPolarHBondContact O-CB 3.13Å; K156-E160 PolarHBondContact O-N 3.07Å; K156-N195 PolarHBondContact NZ-O 3.02Å; K156-D197 IonicContact NZ-OD1 3.48Å; K156-D197 PolarHBondContact NZ-OD1 3.21Å; K156-D197 IonicContact NZ-OD2 2.7Å; K156-D197 PolarHBondContact NZ-OD2 3.03Å |
| 157 | L | 60.3 | Low | 63.2 | Low | 6 Ų | 6 | 73.6 Ų | 73.6 | 3% | 0.031 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68 | -19.9 | -176.7 | -67 | 169.3 | 0 | 0 | 0 | 113.6 | V114 L153 Q154 E155 L162 I196 L201 L204 | V114-L157 HydrophobicContact CG2-CB 4.38Å; L153-L157 HydrophobicContact CD1-CD1 4.32Å; L153-L157 HydrophobicContact CD1-CG 4.36Å; L153-L157 HydrophobicContact CD2-CD1 4.49Å; L153-L157 HydrophobicContact CG-CD1 3.94Å; L153-L157 HydrophobicContact CG-CG 4.39Å; L153-L157 WeakPolarHBondContact O-CB 3.36Å; L153-L157 VanDerWaalsContact O-CG 3.26Å; L153-L157 WeakPolarHBondContact O-CG 3.38Å; L153-L157 PolarHBondContact O-N 3.35Å; Q154-L157 PolarHBondContact O-N 3.37Å; E155-L157 PolarHBondContact O-N 3.41Å; L157-L162 HydrophobicContact CB-CD1 4.15Å; L157-L162 HydrophobicContact CD2-CD1 3.84Å; L157-L162 HydrophobicContact CD2-CD2 4.21Å; L157-L162 HydrophobicContact CD2-CG 4.47Å; L157-L162 VanDerWaalsContact O-CD1 3.3Å; L157-L162 WeakPolarHBondContact O-CD1 3.09Å; L157-I196 HydrophobicContact CD2-CD1 4.48Å; L157-I196 HydrophobicContact CD2-CG2 3.54Å; L157-L201 HydrophobicContact CD1-CD1 4.38Å; L157-L201 HydrophobicContact CD2-CD1 3.96Å; L157-L201 HydrophobicContact CD2-CD2 4.45Å; L157-L204 HydrophobicContact CD1-CD1 3.48Å; L157-L204 VanDerWaalsContact CD1-CD1 3.48Å |
| 158 | V | 57 | Low | 64.2 | Low | 68 Ų | 68 | 73.1 Ų | 73.1 | 41% | 0.412 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -85.5 | -25.6 | 174.4 | 166 | 0 | 0 | 0 | 0 | 112.2 | Q154 E155 K156 | Q154-V158 WeakPolarHBondContact O-CB 3.37Å; Q154-V158 WeakPolarHBondContact O-CG2 3.49Å; Q154-V158 PolarHBondContact O-N 3.28Å; E155-V158 PolarHBondContact O-N 2.98Å; K156-V158 PolarHBondContact O-N 3.34Å |
| 159 | F | 52.5 | Low | 65.1 | Low | 182 Ų | 182 | 72.3 Ų | 72.3 | 80% | 0.798 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -105.1 | -21.1 | -177.4 | -84 | -86.6 | 0 | 0 | 0 | 115.3 | E155 K156 | E155-F159 WeakPolarHBondContact O-CD2 3.5Å; E155-F159 PolarHBondContact O-N 3.46Å; E155-F159 VanDerWaalsContact O-N 3.16Å; K156-F159 PolarHBondContact O-N 2.95Å; K156-F159 VanDerWaalsContact O-N 3.16Å |
| 160 | E | 59.8 | Low | 65.9 | Low | 65 Ų | 65 | 68 Ų | 68 | 30% | 0.304 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -99 | 157.5 | -176.9 | -62.1 | -154 | 126.2 | 0 | 0 | 114.1 | K156 L162 N195 I196 | K156-E160 WeakPolarHBondContact O-CB 3.13Å; K156-E160 PolarHBondContact O-N 3.07Å; E160-L162 PolarHBondContact O-N 3.08Å; E160-N195 PolarHBondContact OE1-ND2 2.93Å; E160-N195 WeakPolarHBondContact OE2-CB 3.35Å; E160-N195 PolarHBondContact OE2-ND2 3.49Å; E160-N195 VanDerWaalsContact OE2-ND2 3.12Å; E160-I196 HydrophobicContact CB-CD1 3.97Å; E160-I196 HydrophobicContact CB-CG1 4.09Å; E160-I196 WeakPolarHBondContact OE2-CG1 3.37Å |
| 161 | N | 62 | Low | 66.6 | Low | 142 Ų | 142 | 66.1 Ų | 66.1 | 76% | 0.759 | 33% | 0.331 | S | S | * | . | trans | -78.5 | 75.6 | -161.9 | -162.8 | -15 | 0 | 0 | 0 | 112.9 | ||||
| 162 | L | 70.8 | Confident | 66.9 | Low | 15 Ų | 15 | 72.7 Ų | 72.7 | 8% | 0.079 | 36% | 0.355 | C | S | . | . | trans | -79.2 | 143.8 | 170.3 | -68.5 | 165.1 | 0 | 0 | 0 | 111.4 | L157 E160 T164 L167 I191 C192 I196 L201 | L157-L162 HydrophobicContact CB-CD1 4.15Å; L157-L162 HydrophobicContact CD2-CD1 3.84Å; L157-L162 HydrophobicContact CD2-CD2 4.21Å; L157-L162 HydrophobicContact CD2-CG 4.47Å; L157-L162 VanDerWaalsContact O-CD1 3.3Å; L157-L162 WeakPolarHBondContact O-CD1 3.09Å; E160-L162 PolarHBondContact O-N 3.08Å; L162-T164 VanDerWaalsContact C-N 3.3Å; L162-T164 PolarHBondContact O-N 3.49Å; L162-L167 HydrophobicContact CD1-CD2 4.35Å; L162-I191 CarbonylContact C-O 3.51Å; L162-I191 VanDerWaalsContact CA-O 3.27Å; L162-I191 WeakPolarHBondContact CA-O 3.46Å; L162-I191 WeakPolarHBondContact CD2-O 3.27Å; L162-C192 HydrophobicContact CD2-CB 3.85Å; L162-I196 HydrophobicContact CD2-CD1 3.55Å; L162-I196 HydrophobicContact CG-CD1 3.83Å; L162-L201 HydrophobicContact CD2-CD2 3.89Å | ||
| 163 | N | 76.4 | Confident | 67 | Low | 60 Ų | 60 | 71.2 Ų | 71.2 | 32% | 0.321 | 35% | 0.349 | S | S | . | . | trans | -79.4 | 83.3 | 165.1 | -168.5 | -45.7 | 0 | 0 | 0 | 109.7 | D165 K166 L167 G190 I191 | N163-D165 PolarHBondContact O-N 3.39Å; N163-K166 HydrophobicContact CB-CB 4.23Å; N163-K166 PolarHBondContact O-N 3.08Å; N163-K166 PolarHBondContact OD1-N 2.7Å; N163-L167 WeakPolarHBondContact O-CB 3.27Å; N163-L167 PolarHBondContact O-N 2.78Å; N163-G190 WeakPolarHBondContact CB-O 3.42Å; N163-I191 PolarHBondContact N-O 3.45Å | ||
| 164 | T | 74 | Confident | 66.9 | Low | 57 Ų | 57 | 78.1 Ų | 78.1 | 35% | 0.35 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -56 | -32.9 | -175.3 | -52.6 | 0 | 0 | 0 | 0 | 113.3 | P113 L162 N168 | P113-T164 HydrophobicContact CB-CG2 4.43Å; L162-T164 VanDerWaalsContact C-N 3.3Å; L162-T164 PolarHBondContact O-N 3.49Å; T164-N168 WeakPolarHBondContact O-CB 3.35Å; T164-N168 PolarHBondContact O-N 3.34Å; T164-N168 PolarHBondContact O-ND2 2.98Å |
| 165 | D | 73.1 | Confident | 67.4 | Low | 138 Ų | 138 | 79.4 Ų | 79.4 | 74% | 0.738 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -71.2 | -46 | 178.5 | -64.4 | -48.3 | 0 | 0 | 0 | 112 | N163 L167 N168 S169 | N163-D165 PolarHBondContact O-N 3.39Å; D165-L167 VanDerWaalsContact C-N 3.34Å; D165-N168 PolarHBondContact O-N 2.88Å; D165-S169 PolarHBondContact O-N 3.36Å |
| 166 | K | 77.3 | Confident | 68.1 | Low | 77 Ų | 77 | 74.8 Ų | 74.8 | 34% | 0.335 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 171.9 | -74.2 | -167.6 | 175.9 | -165 | 0 | 111.7 | N163 S169 I170 E189 I191 | N163-K166 HydrophobicContact CB-CB 4.23Å; N163-K166 PolarHBondContact O-N 3.08Å; N163-K166 PolarHBondContact OD1-N 2.7Å; K166-S169 WeakPolarHBondContact O-CB 3.29Å; K166-S169 PolarHBondContact O-N 2.79Å; K166-I170 PolarHBondContact O-N 2.89Å; K166-E189 PolarHBondContact NZ-O 2.93Å; K166-E189 IonicContact NZ-OE2 2.66Å; K166-E189 PolarHBondContact NZ-OE2 3.1Å; K166-I191 HydrophobicContact CB-CD1 4.49Å; K166-I191 HydrophobicContact CB-CG1 3.81Å; K166-I191 HydrophobicContact CD-CG1 3.97Å |
| 167 | L | 77.4 | Confident | 69 | Low | 1 Ų | 1 | 75.7 Ų | 75.7 | 1% | 0.005 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.3 | -47.3 | 177.4 | -166.9 | 73.8 | 0 | 0 | 0 | 111.1 | L162 N163 D165 S169 I170 M171 I191 L201 L205 | L162-L167 HydrophobicContact CD1-CD2 4.35Å; N163-L167 WeakPolarHBondContact O-CB 3.27Å; N163-L167 PolarHBondContact O-N 2.78Å; D165-L167 VanDerWaalsContact C-N 3.34Å; L167-S169 VanDerWaalsContact C-N 3.32Å; L167-S169 PolarHBondContact O-N 3.29Å; L167-I170 PolarHBondContact O-N 3.42Å; L167-M171 HydrophobicContact CG-SD 4.17Å; L167-M171 WeakPolarHBondContact O-CG 3.41Å; L167-M171 PolarHBondContact O-N 3.41Å; L167-I191 HydrophobicContact CB-CG2 4.2Å; L167-I191 HydrophobicContact CD1-CG2 3.69Å; L167-L201 HydrophobicContact CD1-CD1 4.41Å; L167-L205 HydrophobicContact CD1-CD1 4.04Å; L167-L205 HydrophobicContact CD1-CD2 3.86Å; L167-L205 HydrophobicContact CD1-CG 4.36Å; L167-L205 HydrophobicContact CG-CD2 4.43Å |
| 168 | N | 73.3 | Confident | 69.8 | Low | 59 Ų | 59 | 77.6 Ų | 77.6 | 32% | 0.316 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.4 | -33.8 | 175.4 | -87.8 | -93.2 | 0 | 0 | 0 | 112.7 | T164 D165 R172 | T164-N168 WeakPolarHBondContact O-CB 3.35Å; T164-N168 PolarHBondContact O-N 3.34Å; T164-N168 PolarHBondContact O-ND2 2.98Å; D165-N168 PolarHBondContact O-N 2.88Å; N168-R172 WeakPolarHBondContact O-CB 3.39Å; N168-R172 WeakPolarHBondContact O-CD 3.41Å; N168-R172 VanDerWaalsContact O-CG 3.23Å; N168-R172 WeakPolarHBondContact O-CG 3.48Å; N168-R172 PolarHBondContact O-N 2.92Å; N168-R172 VanDerWaalsContact O-N 3.12Å |
| 169 | S | 78.8 | Confident | 70.8 | Confident | 62 Ų | 62 | 74.5 Ų | 74.5 | 43% | 0.434 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 173.2 | -172.1 | 0 | 0 | 0 | 0 | 111.8 | D165 K166 L167 R172 Q173 | D165-S169 PolarHBondContact O-N 3.36Å; K166-S169 WeakPolarHBondContact O-CB 3.29Å; K166-S169 PolarHBondContact O-N 2.79Å; L167-S169 VanDerWaalsContact C-N 3.32Å; L167-S169 PolarHBondContact O-N 3.29Å; S169-R172 PolarHBondContact O-N 3.21Å; S169-Q173 WeakPolarHBondContact O-CG 3.21Å; S169-Q173 PolarHBondContact O-N 3.42Å; S169-Q173 PolarHBondContact O-NE2 3.31Å; S169-Q173 VanDerWaalsContact O-NE2 3.16Å; S169-Q173 PolarHBondContact OG-NE2 3.08Å |
| 170 | I | 75.4 | Confident | 72 | Confident | 11 Ų | 11 | 66.8 Ų | 66.8 | 6% | 0.056 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -72.7 | -41 | 178.9 | -72 | 163.4 | 0 | 0 | 0 | 111.7 | K166 L167 R172 Q173 L176 V179 Y185 I191 | K166-I170 PolarHBondContact O-N 2.89Å; L167-I170 PolarHBondContact O-N 3.42Å; I170-R172 PolarHBondContact O-N 3.19Å; I170-Q173 PolarHBondContact O-N 2.92Å; I170-L176 HydrophobicContact CG2-CD2 3.43Å; I170-L176 VanDerWaalsContact CG2-CD2 3.43Å; I170-V179 HydrophobicContact CG2-CG2 4.47Å; I170-Y185 HydrophobicContact CD1-CE1 4.11Å; I170-I191 HydrophobicContact CD1-CD1 3.27Å; I170-I191 HydrophobicContact CD1-CG1 4.41Å |
| 171 | M | 69.5 | Low | 72.9 | Confident | 24 Ų | 24 | 71.1 Ų | 71.1 | 12% | 0.118 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.6 | -24.7 | 173.1 | -69.8 | 170.1 | 67.6 | 0 | 0 | 112.8 | V114 L167 L205 H208 | V114-M171 VanDerWaalsContact O-CE 3.27Å; V114-M171 WeakPolarHBondContact O-CE 3.47Å; L167-M171 HydrophobicContact CG-SD 4.17Å; L167-M171 WeakPolarHBondContact O-CG 3.41Å; L167-M171 PolarHBondContact O-N 3.41Å; M171-L205 HydrophobicContact CG-CD2 3.41Å; M171-L205 VanDerWaalsContact CG-CD2 3.41Å; M171-L205 HydrophobicContact SD-CD2 4.19Å; M171-H208 WeakPolarHBondContact CE-NE2 3.39Å |
| 172 | R | 70.3 | Confident | 73.8 | Confident | 210 Ų | 210 | 67.2 Ų | 67.2 | 79% | 0.792 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 3.7 | 175.1 | -74.1 | 173.9 | 168.9 | -115.8 | -6.1 | 114.3 | N168 S169 I170 | N168-R172 WeakPolarHBondContact O-CB 3.39Å; N168-R172 WeakPolarHBondContact O-CD 3.41Å; N168-R172 VanDerWaalsContact O-CG 3.23Å; N168-R172 WeakPolarHBondContact O-CG 3.48Å; N168-R172 PolarHBondContact O-N 2.92Å; N168-R172 VanDerWaalsContact O-N 3.12Å; S169-R172 PolarHBondContact O-N 3.21Å; I170-R172 PolarHBondContact O-N 3.19Å |
| 173 | Q | 64.6 | Low | 74.1 | Confident | 89 Ų | 89 | 67.4 Ų | 67.4 | 42% | 0.416 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -102.2 | 127.7 | 173.4 | -71.9 | 162.8 | 35.8 | 0 | 0 | 109.4 | S169 I170 S175 | S169-Q173 WeakPolarHBondContact O-CG 3.21Å; S169-Q173 PolarHBondContact O-N 3.42Å; S169-Q173 PolarHBondContact O-NE2 3.31Å; S169-Q173 VanDerWaalsContact O-NE2 3.16Å; S169-Q173 PolarHBondContact OG-NE2 3.08Å; I170-Q173 PolarHBondContact O-N 2.92Å; Q173-S175 PolarHBondContact O-N 3.14Å; Q173-S175 VanDerWaalsContact O-N 3.1Å |
| 174 | D | 58.3 | Low | 74.4 | Confident | 155 Ų | 155 | 66.1 Ų | 66.1 | 83% | 0.829 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -64.7 | -14.6 | 179 | -58.1 | -72 | 0 | 0 | 0 | 113.4 | ||
| 175 | S | 68.1 | Low | 74.8 | Confident | 71 Ų | 71 | 66 Ų | 66 | 50% | 0.497 | 33% | 0.328 | S | S | . | . | trans | -119.2 | 112.8 | -177.7 | -172.9 | 0 | 0 | 0 | 0 | 111.7 | Q173 E177 | Q173-S175 PolarHBondContact O-N 3.14Å; Q173-S175 VanDerWaalsContact O-N 3.1Å; S175-E177 VanDerWaalsContact C-N 3.27Å; S175-E177 WeakPolarHBondContact OG-CB 3.34Å; S175-E177 PolarHBondContact OG-N 2.93Å | ||
| 176 | L | 75.1 | Confident | 75.2 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | trans | -91.2 | 16.3 | 171.2 | -62.7 | 173.2 | 0 | 0 | 0 | 112.4 | I170 P178 V179 L180 L205 F206 | I170-L176 HydrophobicContact CG2-CD2 3.43Å; I170-L176 VanDerWaalsContact CG2-CD2 3.43Å; L176-P178 VanDerWaalsContact C-CD 3.4Å; L176-P178 VanDerWaalsContact C-N 3.31Å; L176-P178 VanDerWaalsContact O-N 3.14Å; L176-V179 HydrophobicContact CB-CB 4.49Å; L176-V179 WeakPolarHBondContact O-CA 3.42Å; L176-V179 WeakPolarHBondContact O-CB 3.42Å; L176-V179 PolarHBondContact O-N 3.43Å; L176-L180 PolarHBondContact O-N 2.88Å; L176-L205 HydrophobicContact CD1-CB 4.33Å; L176-L205 WeakPolarHBondContact CD1-O 3.28Å; L176-F206 VanDerWaalsContact CD1-CA 3.47Å; L176-F206 HydrophobicContact CD1-CB 4.31Å; L176-F206 HydrophobicContact CD1-CD2 4.21Å | ||
| 177 | E | 74.3 | Confident | 75.3 | Confident | 94 Ų | 94 | 58.7 Ų | 58.7 | 44% | 0.439 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -49.9 | -38.9 | -172.3 | -159.6 | -84.8 | 161 | 0 | 0 | 114.5 | S175 V179 L180 R181 | S175-E177 VanDerWaalsContact C-N 3.27Å; S175-E177 WeakPolarHBondContact OG-CB 3.34Å; S175-E177 PolarHBondContact OG-N 2.93Å; E177-V179 PolarHBondContact O-N 3.22Å; E177-L180 PolarHBondContact O-N 3.49Å; E177-R181 WeakPolarHBondContact O-CB 3.48Å; E177-R181 VanDerWaalsContact O-CG 3.29Å; E177-R181 WeakPolarHBondContact O-CG 3.31Å; E177-R181 PolarHBondContact O-N 2.88Å; E177-R181 WeakPolarHBondContact OE1-CG 3.33Å; E177-R181 IonicContact OE1-NE 2.63Å; E177-R181 PolarHBondContact OE1-NE 3.33Å |
| 178 | P | 77.3 | Confident | 75.6 | Confident | 45 Ų | 45 | 64 Ų | 64 | 29% | 0.292 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.3 | -39.2 | 172.6 | -24.2 | 35.2 | 0 | 0 | 0 | 114.2 | L176 R181 D182 Y185 | L176-P178 VanDerWaalsContact C-CD 3.4Å; L176-P178 VanDerWaalsContact C-N 3.31Å; L176-P178 VanDerWaalsContact O-N 3.14Å; P178-R181 PolarHBondContact O-N 2.63Å; P178-D182 PolarHBondContact O-N 3.12Å; P178-Y185 HydrophobicContact CB-CD1 4.3Å; P178-Y185 HydrophobicContact CB-CD2 3.79Å; P178-Y185 HydrophobicContact CB-CE1 4.02Å; P178-Y185 HydrophobicContact CB-CE2 3.47Å; P178-Y185 VanDerWaalsContact CB-CE2 3.47Å; P178-Y185 HydrophobicContact CB-CG 4.19Å; P178-Y185 HydrophobicContact CG-CE2 4.49Å |
| 179 | V | 79.4 | Confident | 76 | Confident | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.024 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -71.6 | -31.5 | 177.4 | -168.4 | 0 | 0 | 0 | 0 | 111.2 | I170 L176 E177 Y185 L186 | I170-V179 HydrophobicContact CG2-CG2 4.47Å; L176-V179 HydrophobicContact CB-CB 4.49Å; L176-V179 WeakPolarHBondContact O-CA 3.42Å; L176-V179 WeakPolarHBondContact O-CB 3.42Å; L176-V179 PolarHBondContact O-N 3.43Å; E177-V179 PolarHBondContact O-N 3.22Å; V179-Y185 HydrophobicContact CG2-CD1 3.81Å; V179-Y185 HydrophobicContact CG2-CE1 4.11Å; V179-L186 HydrophobicContact CG1-CD1 4.18Å; V179-L186 HydrophobicContact CG1-CD2 4.37Å; V179-L186 HydrophobicContact CG1-CG 4.23Å; V179-L186 HydrophobicContact CG2-CD2 4.08Å |
| 180 | L | 76.5 | Confident | 75.8 | Confident | 20 Ų | 20 | 64.2 Ų | 64.2 | 11% | 0.105 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71.7 | -32.9 | 173.4 | -58.2 | -179 | 0 | 0 | 0 | 112.1 | L176 E177 F206 Q224 L228 N231 | L176-L180 PolarHBondContact O-N 2.88Å; E177-L180 PolarHBondContact O-N 3.49Å; L180-F206 HydrophobicContact CD2-CD2 3.83Å; L180-F206 HydrophobicContact CD2-CE2 4.12Å; L180-Q224 HydrophobicContact CD1-CB 4.05Å; L180-Q224 HydrophobicContact CD1-CG 3.88Å; L180-L228 HydrophobicContact CD2-CB 3.88Å; L180-L228 HydrophobicContact CD2-CD1 4.02Å; L180-L228 HydrophobicContact CD2-CD2 4.16Å; L180-L228 HydrophobicContact CD2-CG 4.24Å; L180-N231 PolarHBondContact O-ND2 3.35Å |
| 181 | R | 79.7 | Confident | 75.9 | Confident | 156 Ų | 156 | 63.7 Ų | 63.7 | 59% | 0.589 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -85.3 | -43 | -174.3 | -76.2 | -72.9 | 153.2 | -138.6 | -12.8 | 114.6 | E177 P178 | E177-R181 WeakPolarHBondContact O-CB 3.48Å; E177-R181 VanDerWaalsContact O-CG 3.29Å; E177-R181 WeakPolarHBondContact O-CG 3.31Å; E177-R181 PolarHBondContact O-N 2.88Å; E177-R181 WeakPolarHBondContact OE1-CG 3.33Å; E177-R181 IonicContact OE1-NE 2.63Å; E177-R181 PolarHBondContact OE1-NE 3.33Å; P178-R181 PolarHBondContact O-N 2.63Å |
| 182 | D | 80.6 | Confident | 76 | Confident | 59 Ų | 59 | 62.9 Ų | 62.9 | 32% | 0.316 | 32% | 0.318 | S | S | . | . | trans | -116.6 | 106.1 | -179.6 | 173.5 | 26.3 | 0 | 0 | 0 | 110.7 | P178 C184 Y185 N188 | P178-D182 PolarHBondContact O-N 3.12Å; D182-C184 PolarHBondContact O-N 3.32Å; D182-C184 WeakPolarHBondContact OD1-CB 3.42Å; D182-C184 PolarHBondContact OD1-N 3.38Å; D182-Y185 WeakPolarHBondContact O-CB 3.21Å; D182-Y185 PolarHBondContact O-N 3.38Å; D182-Y185 WeakPolarHBondContact OD2-CA 3.19Å; D182-Y185 PolarHBondContact OD2-N 3.44Å; D182-Y185 VanDerWaalsContact OD2-N 3.11Å; D182-N188 PolarHBondContact OD2-ND2 2.93Å | ||
| 183 | P | 76.9 | Confident | 76.1 | Confident | 20 Ų | 20 | 56.8 Ų | 56.8 | 13% | 0.13 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -17.9 | 172.9 | -27.3 | 36.4 | 0 | 0 | 0 | 114.5 | Q198 N231 Y235 | P183-Q198 PolarHBondContact O-NE2 3.11Å; P183-Q198 PolarHBondContact O-OE1 3.18Å; P183-N231 HydrophobicContact CG-CB 4.16Å; P183-Y235 HydrophobicContact CB-CG 4.37Å |
| 184 | C | 81.8 | Confident | 76.3 | Confident | 33 Ų | 33 | 62.8 Ų | 62.8 | 22% | 0.223 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -6 | 175.6 | -61.8 | 0 | 0 | 0 | 0 | 113.9 | D182 L186 I187 N188 Q198 | D182-C184 PolarHBondContact O-N 3.32Å; D182-C184 WeakPolarHBondContact OD1-CB 3.42Å; D182-C184 PolarHBondContact OD1-N 3.38Å; C184-L186 PolarHBondContact O-N 2.94Å; C184-L186 VanDerWaalsContact O-N 3.15Å; C184-I187 PolarHBondContact O-N 3.02Å; C184-N188 WeakPolarHBondContact CB-ND2 3.28Å; C184-N188 PolarHBondContact O-N 2.89Å; C184-N188 PolarHBondContact O-ND2 3.41Å; C184-Q198 PolarHBondContact O-NE2 3.47Å |
| 185 | Y | 83.3 | Confident | 76.7 | Confident | 55 Ų | 55 | 58.2 Ų | 58.2 | 22% | 0.216 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -51 | -46 | -169.1 | -179.5 | -99.1 | 0 | 0 | 0 | 114.4 | I170 P178 V179 D182 I187 N188 E189 I191 | I170-Y185 HydrophobicContact CD1-CE1 4.11Å; P178-Y185 HydrophobicContact CB-CD1 4.3Å; P178-Y185 HydrophobicContact CB-CD2 3.79Å; P178-Y185 HydrophobicContact CB-CE1 4.02Å; P178-Y185 HydrophobicContact CB-CE2 3.47Å; P178-Y185 VanDerWaalsContact CB-CE2 3.47Å; P178-Y185 HydrophobicContact CB-CG 4.19Å; P178-Y185 HydrophobicContact CG-CE2 4.49Å; V179-Y185 HydrophobicContact CG2-CD1 3.81Å; V179-Y185 HydrophobicContact CG2-CE1 4.11Å; D182-Y185 WeakPolarHBondContact O-CB 3.21Å; D182-Y185 PolarHBondContact O-N 3.38Å; D182-Y185 WeakPolarHBondContact OD2-CA 3.19Å; D182-Y185 PolarHBondContact OD2-N 3.44Å; D182-Y185 VanDerWaalsContact OD2-N 3.11Å; Y185-I187 VanDerWaalsContact C-N 3.33Å; Y185-I187 PolarHBondContact O-N 3.03Å; Y185-N188 PolarHBondContact O-N 3.19Å; Y185-E189 HydrophobicContact CE1-CG 4.18Å; Y185-E189 HydrophobicContact CE2-CG 4.01Å; Y185-E189 WeakPolarHBondContact O-CB 3.25Å; Y185-E189 PolarHBondContact O-N 2.86Å; Y185-I191 HydrophobicContact CE1-CD1 4.42Å |
| 186 | L | 81.1 | Confident | 76.8 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.9 | -29.1 | -177.4 | -56.5 | 173.6 | 0 | 0 | 0 | 113.1 | V179 C184 I191 C192 Q198 L201 S202 L205 | V179-L186 HydrophobicContact CG1-CD1 4.18Å; V179-L186 HydrophobicContact CG1-CD2 4.37Å; V179-L186 HydrophobicContact CG1-CG 4.23Å; V179-L186 HydrophobicContact CG2-CD2 4.08Å; C184-L186 PolarHBondContact O-N 2.94Å; C184-L186 VanDerWaalsContact O-N 3.15Å; L186-I191 HydrophobicContact CB-CB 4.34Å; L186-I191 HydrophobicContact CD2-CB 4.42Å; L186-I191 HydrophobicContact CD2-CD1 3.75Å; L186-I191 HydrophobicContact CD2-CG2 4.32Å; L186-I191 WeakPolarHBondContact O-CA 3.27Å; L186-I191 WeakPolarHBondContact O-CB 3.49Å; L186-I191 PolarHBondContact O-N 3Å; L186-C192 WeakPolarHBondContact CB-SG 3.16Å; L186-C192 PolarHBondContact O-N 3.46Å; L186-C192 VanDerWaalsContact O-N 3.15Å; L186-Q198 HydrophobicContact CB-CG 4.41Å; L186-Q198 HydrophobicContact CD1-CG 4.38Å; L186-Q198 VanDerWaalsContact N-NE2 3.14Å; L186-L201 HydrophobicContact CD1-CB 4.42Å; L186-L201 HydrophobicContact CD1-CD2 4.02Å; L186-L201 HydrophobicContact CD1-CG 3.97Å; L186-S202 WeakPolarHBondContact CD1-OG 3.41Å; L186-L205 HydrophobicContact CD1-CD1 3.96Å; L186-L205 HydrophobicContact CD2-CD1 4.03Å |
| 187 | I | 80 | Confident | 76.8 | Confident | 61 Ų | 61 | 58.4 Ų | 58.4 | 31% | 0.313 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -78.2 | -41.7 | 170.5 | -69.7 | 177.4 | 0 | 0 | 0 | 110.4 | C184 Y185 E189 G190 R194 | C184-I187 PolarHBondContact O-N 3.02Å; Y185-I187 VanDerWaalsContact C-N 3.33Å; Y185-I187 PolarHBondContact O-N 3.03Å; I187-E189 VanDerWaalsContact C-N 3.3Å; I187-E189 PolarHBondContact O-N 3.47Å; I187-G190 PolarHBondContact O-N 3.43Å; I187-R194 HydrophobicContact CD1-CG 4.24Å |
| 188 | N | 83.8 | Confident | 77.1 | Confident | 112 Ų | 112 | 55.2 Ų | 55.2 | 60% | 0.599 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -60 | -39 | 179.2 | -70.1 | -27.2 | 0 | 0 | 0 | 112.3 | D182 C184 Y185 G190 | D182-N188 PolarHBondContact OD2-ND2 2.93Å; C184-N188 WeakPolarHBondContact CB-ND2 3.28Å; C184-N188 PolarHBondContact O-N 2.89Å; C184-N188 PolarHBondContact O-ND2 3.41Å; Y185-N188 PolarHBondContact O-N 3.19Å; N188-G190 VanDerWaalsContact C-N 3.3Å |
| 189 | E | 80.6 | Confident | 77.3 | Confident | 80 Ų | 80 | 55.9 Ų | 55.9 | 37% | 0.374 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -3.5 | 173.7 | -84.7 | -65.4 | 127.8 | 0 | 0 | 114 | K166 Y185 I187 I191 | K166-E189 PolarHBondContact NZ-O 2.93Å; K166-E189 IonicContact NZ-OE2 2.66Å; K166-E189 PolarHBondContact NZ-OE2 3.1Å; Y185-E189 HydrophobicContact CE1-CG 4.18Å; Y185-E189 HydrophobicContact CE2-CG 4.01Å; Y185-E189 WeakPolarHBondContact O-CB 3.25Å; Y185-E189 PolarHBondContact O-N 2.86Å; I187-E189 VanDerWaalsContact C-N 3.3Å; I187-E189 PolarHBondContact O-N 3.47Å; E189-I191 VanDerWaalsContact C-N 3.32Å; E189-I191 HydrophobicContact CB-CD1 3.51Å; E189-I191 HydrophobicContact CB-CG1 3.86Å; E189-I191 HydrophobicContact CG-CD1 4.33Å; E189-I191 PolarHBondContact O-N 3.43Å |
| 190 | G | 76.1 | Confident | 77.3 | Confident | 45 Ų | 45 | 58.9 Ų | 58.9 | 46% | 0.464 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 33.4 | -177 | 0 | 0 | 0 | 0 | 0 | 113.5 | N163 I187 N188 | N163-G190 WeakPolarHBondContact CB-O 3.42Å; I187-G190 PolarHBondContact O-N 3.43Å; N188-G190 VanDerWaalsContact C-N 3.3Å |
| 191 | I | 76.4 | Confident | 77.5 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -84.7 | -38.5 | 177.3 | -61.9 | 156.3 | 0 | 0 | 0 | 110.7 | L162 N163 K166 L167 I170 Y185 L186 E189 | L162-I191 CarbonylContact C-O 3.51Å; L162-I191 VanDerWaalsContact CA-O 3.27Å; L162-I191 WeakPolarHBondContact CA-O 3.46Å; L162-I191 WeakPolarHBondContact CD2-O 3.27Å; N163-I191 PolarHBondContact N-O 3.45Å; K166-I191 HydrophobicContact CB-CD1 4.49Å; K166-I191 HydrophobicContact CB-CG1 3.81Å; K166-I191 HydrophobicContact CD-CG1 3.97Å; L167-I191 HydrophobicContact CB-CG2 4.2Å; L167-I191 HydrophobicContact CD1-CG2 3.69Å; I170-I191 HydrophobicContact CD1-CD1 3.27Å; I170-I191 HydrophobicContact CD1-CG1 4.41Å; Y185-I191 HydrophobicContact CE1-CD1 4.42Å; L186-I191 HydrophobicContact CB-CB 4.34Å; L186-I191 HydrophobicContact CD2-CB 4.42Å; L186-I191 HydrophobicContact CD2-CD1 3.75Å; L186-I191 HydrophobicContact CD2-CG2 4.32Å; L186-I191 WeakPolarHBondContact O-CA 3.27Å; L186-I191 WeakPolarHBondContact O-CB 3.49Å; L186-I191 PolarHBondContact O-N 3Å; E189-I191 VanDerWaalsContact C-N 3.32Å; E189-I191 HydrophobicContact CB-CD1 3.51Å; E189-I191 HydrophobicContact CB-CG1 3.86Å; E189-I191 HydrophobicContact CG-CD1 4.33Å; E189-I191 PolarHBondContact O-N 3.43Å |
| 192 | C | 72.8 | Confident | 77.6 | Confident | 6 Ų | 6 | 50.7 Ų | 50.7 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -131.3 | 156.7 | 172.5 | 63 | 0 | 0 | 0 | 0 | 111.3 | L162 L186 I196 L201 | L162-C192 HydrophobicContact CD2-CB 3.85Å; L186-C192 WeakPolarHBondContact CB-SG 3.16Å; L186-C192 PolarHBondContact O-N 3.46Å; L186-C192 VanDerWaalsContact O-N 3.15Å; C192-I196 HydrophobicContact CB-CB 4.19Å; C192-I196 HydrophobicContact CB-CD1 4.08Å; C192-I196 HydrophobicContact CB-CG2 4.23Å; C192-L201 HydrophobicContact CB-CD2 3.66Å |
| 193 | N | 71.6 | Confident | 77.7 | Confident | 82 Ų | 82 | 49.4 Ų | 49.4 | 44% | 0.439 | 26% | 0.255 | S | S | . | . | trans | -102.1 | 166.3 | 176.1 | 178.6 | 35.2 | 0 | 0 | 0 | 110.6 | N195 I196 | N193-N195 WeakPolarHBondContact CB-OD1 3.27Å; N193-N195 PolarHBondContact ND2-ND2 2.91Å; N193-N195 PolarHBondContact ND2-OD1 2.89Å; N193-N195 PolarHBondContact O-N 3.27Å; N193-N195 PolarHBondContact O-OD1 2.86Å; N193-I196 PolarHBondContact O-N 3.33Å | ||
| 194 | R | 68.4 | Low | 77.7 | Confident | 215 Ų | 215 | 49.1 Ų | 49.1 | 81% | 0.811 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -4.5 | -170 | -55.2 | -179.2 | 73.5 | 162.3 | 3.8 | 115.5 | I187 | I187-R194 HydrophobicContact CD1-CG 4.24Š|
| 195 | N | 66.1 | Low | 77.5 | Confident | 59 Ų | 59 | 47.8 Ų | 47.8 | 32% | 0.316 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -20.5 | 174.4 | 47.7 | -13.7 | 0 | 0 | 0 | 113.3 | K156 E160 N193 | K156-N195 PolarHBondContact NZ-O 3.02Å; E160-N195 PolarHBondContact OE1-ND2 2.93Å; E160-N195 WeakPolarHBondContact OE2-CB 3.35Å; E160-N195 PolarHBondContact OE2-ND2 3.49Å; E160-N195 VanDerWaalsContact OE2-ND2 3.12Å; N193-N195 WeakPolarHBondContact CB-OD1 3.27Å; N193-N195 PolarHBondContact ND2-ND2 2.91Å; N193-N195 PolarHBondContact ND2-OD1 2.89Å; N193-N195 PolarHBondContact O-N 3.27Å; N193-N195 PolarHBondContact O-OD1 2.86Å |
| 196 | I | 71.4 | Confident | 77.3 | Confident | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -90.4 | 131.8 | 178.3 | -59.6 | 178 | 0 | 0 | 0 | 109 | L157 E160 L162 C192 N193 Q198 L201 | L157-I196 HydrophobicContact CD2-CD1 4.48Å; L157-I196 HydrophobicContact CD2-CG2 3.54Å; E160-I196 HydrophobicContact CB-CD1 3.97Å; E160-I196 HydrophobicContact CB-CG1 4.09Å; E160-I196 WeakPolarHBondContact OE2-CG1 3.37Å; L162-I196 HydrophobicContact CD2-CD1 3.55Å; L162-I196 HydrophobicContact CG-CD1 3.83Å; C192-I196 HydrophobicContact CB-CB 4.19Å; C192-I196 HydrophobicContact CB-CD1 4.08Å; C192-I196 HydrophobicContact CB-CG2 4.23Å; N193-I196 PolarHBondContact O-N 3.33Å; I196-Q198 PolarHBondContact O-N 3.34Å; I196-L201 HydrophobicContact CG2-CD2 4.22Å |
| 197 | D | 75.5 | Confident | 76.9 | Confident | 74 Ų | 74 | 51.5 Ų | 51.5 | 40% | 0.396 | 26% | 0.261 | S | S | . | . | trans | -71.3 | 88.3 | -176.7 | -52.4 | -71 | 0 | 0 | 0 | 110.8 | L153 K156 T199 M200 L201 | L153-D197 HydrophobicContact CD1-CB 4.33Å; K156-D197 IonicContact NZ-OD1 3.48Å; K156-D197 PolarHBondContact NZ-OD1 3.21Å; K156-D197 IonicContact NZ-OD2 2.7Å; K156-D197 PolarHBondContact NZ-OD2 3.03Å; D197-T199 VanDerWaalsContact C-N 3.27Å; D197-T199 PolarHBondContact O-N 2.95Å; D197-T199 VanDerWaalsContact O-N 3.15Å; D197-M200 HydrophobicContact CB-CB 4.26Å; D197-M200 HydrophobicContact CB-CG 4.22Å; D197-M200 WeakPolarHBondContact O-CA 3.39Å; D197-M200 WeakPolarHBondContact O-CB 3.13Å; D197-M200 PolarHBondContact O-N 2.96Å; D197-L201 PolarHBondContact O-N 3.04Å | ||
| 198 | Q | 80.1 | Confident | 76.5 | Confident | 26 Ų | 26 | 51.2 Ų | 51.2 | 12% | 0.121 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.9 | -36.3 | -169 | -176.2 | 166.3 | 7.9 | 0 | 0 | 114 | P183 C184 L186 I196 M200 L201 S202 | P183-Q198 PolarHBondContact O-NE2 3.11Å; P183-Q198 PolarHBondContact O-OE1 3.18Å; C184-Q198 PolarHBondContact O-NE2 3.47Å; L186-Q198 HydrophobicContact CB-CG 4.41Å; L186-Q198 HydrophobicContact CD1-CG 4.38Å; L186-Q198 VanDerWaalsContact N-NE2 3.14Å; I196-Q198 PolarHBondContact O-N 3.34Å; Q198-M200 VanDerWaalsContact C-N 3.33Å; Q198-M200 PolarHBondContact O-N 3.29Å; Q198-L201 PolarHBondContact O-N 2.96Å; Q198-S202 WeakPolarHBondContact O-CB 3.35Å; Q198-S202 PolarHBondContact O-N 3.1Å; Q198-S202 PolarHBondContact O-OG 3.39Å |
| 199 | T | 82.1 | Confident | 75.8 | Confident | 60 Ų | 60 | 47.2 Ų | 47.2 | 37% | 0.368 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -55 | -47.7 | 172 | -53.8 | 0 | 0 | 0 | 0 | 111.7 | D197 S202 I203 H232 | D197-T199 VanDerWaalsContact C-N 3.27Å; D197-T199 PolarHBondContact O-N 2.95Å; D197-T199 VanDerWaalsContact O-N 3.15Å; T199-S202 PolarHBondContact O-N 2.89Å; T199-I203 HydrophobicContact CG2-CD1 3.94Å; T199-I203 WeakPolarHBondContact O-CD1 3.45Å; T199-I203 VanDerWaalsContact O-CG1 3.24Å; T199-I203 WeakPolarHBondContact O-CG1 3.33Å; T199-I203 PolarHBondContact O-N 3.02Å; T199-H232 VanDerWaalsContact CA-CD2 3.48Å; T199-H232 WeakPolarHBondContact CA-CD2 3.34Å; T199-H232 HydrophobicContact CG2-CB 3.71Å; T199-H232 PolarHBondContact OG1-CD2 2.97Å; T199-H232 VanDerWaalsContact OG1-CD2 3.26Å |
| 200 | M | 79.1 | Confident | 75.1 | Confident | 67 Ų | 67 | 44.5 Ų | 44.5 | 33% | 0.33 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -73.2 | -36 | -177.5 | -64.6 | -65.8 | -65.4 | 0 | 0 | 112 | F150 L153 D197 Q198 I203 L204 | F150-M200 HydrophobicContact CD2-CE 4.39Å; L153-M200 HydrophobicContact CD1-CB 4.32Å; L153-M200 HydrophobicContact CD2-CB 3.4Å; L153-M200 HydrophobicContact CD2-CE 3.97Å; L153-M200 HydrophobicContact CD2-CG 4.14Å; D197-M200 HydrophobicContact CB-CB 4.26Å; D197-M200 HydrophobicContact CB-CG 4.22Å; D197-M200 WeakPolarHBondContact O-CA 3.39Å; D197-M200 WeakPolarHBondContact O-CB 3.13Å; D197-M200 PolarHBondContact O-N 2.96Å; Q198-M200 VanDerWaalsContact C-N 3.33Å; Q198-M200 PolarHBondContact O-N 3.29Å; M200-I203 PolarHBondContact O-N 3.12Å; M200-L204 WeakPolarHBondContact O-CB 3.39Å; M200-L204 WeakPolarHBondContact O-CG 3.13Å; M200-L204 PolarHBondContact O-N 2.92Å |
| 201 | L | 79.3 | Confident | 74.7 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.8 | -40.6 | 173.5 | -178.9 | 58 | 0 | 0 | 0 | 111.9 | L157 L162 L167 L186 C192 I196 D197 Q198 I203 L204 L205 | L157-L201 HydrophobicContact CD1-CD1 4.38Å; L157-L201 HydrophobicContact CD2-CD1 3.96Å; L157-L201 HydrophobicContact CD2-CD2 4.45Å; L162-L201 HydrophobicContact CD2-CD2 3.89Å; L167-L201 HydrophobicContact CD1-CD1 4.41Å; L186-L201 HydrophobicContact CD1-CB 4.42Å; L186-L201 HydrophobicContact CD1-CD2 4.02Å; L186-L201 HydrophobicContact CD1-CG 3.97Å; C192-L201 HydrophobicContact CB-CD2 3.66Å; I196-L201 HydrophobicContact CG2-CD2 4.22Å; D197-L201 PolarHBondContact O-N 3.04Å; Q198-L201 PolarHBondContact O-N 2.96Å; L201-I203 VanDerWaalsContact C-N 3.35Å; L201-L204 WeakPolarHBondContact O-CB 3.28Å; L201-L204 PolarHBondContact O-N 3.23Å; L201-L205 HydrophobicContact CD1-CG 4.5Å; L201-L205 HydrophobicContact CG-CD1 4.38Å; L201-L205 WeakPolarHBondContact O-CG 3.27Å; L201-L205 PolarHBondContact O-N 2.85Å |
| 202 | S | 82.7 | Confident | 74.1 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.014 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.7 | -40.4 | 175.7 | -56.4 | 0 | 0 | 0 | 0 | 111.8 | L186 Q198 T199 F206 | L186-S202 WeakPolarHBondContact CD1-OG 3.41Å; Q198-S202 WeakPolarHBondContact O-CB 3.35Å; Q198-S202 PolarHBondContact O-N 3.1Å; Q198-S202 PolarHBondContact O-OG 3.39Å; T199-S202 PolarHBondContact O-N 2.89Å; S202-F206 WeakPolarHBondContact O-CB 3.47Å; S202-F206 PolarHBondContact O-N 3.26Å |
| 203 | I | 82.1 | Confident | 73.7 | Confident | 33 Ų | 33 | 51 Ų | 51 | 17% | 0.169 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.7 | -40.9 | 175.3 | -69.4 | 166.4 | 0 | 0 | 0 | 111.7 | T199 M200 L201 F206 F207 L228 V229 | T199-I203 HydrophobicContact CG2-CD1 3.94Å; T199-I203 WeakPolarHBondContact O-CD1 3.45Å; T199-I203 VanDerWaalsContact O-CG1 3.24Å; T199-I203 WeakPolarHBondContact O-CG1 3.33Å; T199-I203 PolarHBondContact O-N 3.02Å; M200-I203 PolarHBondContact O-N 3.12Å; L201-I203 VanDerWaalsContact C-N 3.35Å; I203-F206 WeakPolarHBondContact O-CB 3.33Å; I203-F206 PolarHBondContact O-N 2.84Å; I203-F207 HydrophobicContact CG2-CD2 3.73Å; I203-F207 HydrophobicContact CG2-CE2 3.53Å; I203-F207 VanDerWaalsContact O-CD2 3.3Å; I203-F207 WeakPolarHBondContact O-CD2 3.28Å; I203-F207 PolarHBondContact O-N 3.04Å; I203-L228 HydrophobicContact CG1-CD2 4.01Å; I203-L228 HydrophobicContact CG1-CG 4.49Å; I203-V229 HydrophobicContact CD1-CG2 4.28Å |
| 204 | L | 76.9 | Confident | 73.6 | Confident | 14 Ų | 14 | 51.1 Ų | 51.1 | 7% | 0.073 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.6 | -50.4 | 174.2 | -89.5 | 163.3 | 0 | 0 | 0 | 112 | L116 F150 L153 L157 M200 L201 F206 F207 H208 | L116-L204 HydrophobicContact CD1-CD2 4.31Å; L116-L204 HydrophobicContact CD2-CD2 4.19Å; F150-L204 HydrophobicContact CE1-CD2 3.66Å; F150-L204 HydrophobicContact CE2-CD2 4.26Å; F150-L204 HydrophobicContact CZ-CD2 3.37Å; F150-L204 HydrophobicContact CZ-CG 4.11Å; L153-L204 HydrophobicContact CD2-CD1 3.67Å; L153-L204 HydrophobicContact CG-CD1 4.37Å; L157-L204 HydrophobicContact CD1-CD1 3.48Å; L157-L204 VanDerWaalsContact CD1-CD1 3.48Å; M200-L204 WeakPolarHBondContact O-CB 3.39Å; M200-L204 WeakPolarHBondContact O-CG 3.13Å; M200-L204 PolarHBondContact O-N 2.92Å; L201-L204 WeakPolarHBondContact O-CB 3.28Å; L201-L204 PolarHBondContact O-N 3.23Å; L204-F206 VanDerWaalsContact C-N 3.29Å; L204-F206 PolarHBondContact O-N 3.34Å; L204-F207 PolarHBondContact O-N 3.16Å; L204-H208 PolarHBondContact O-N 3.06Å; L204-H208 VanDerWaalsContact O-N 3.1Å |
| 205 | L | 78.2 | Confident | 73.5 | Confident | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.7 | -44.2 | 174.9 | -74.2 | 169.5 | 0 | 0 | 0 | 110.9 | L167 M171 L176 L186 L201 F207 H208 S209 | L167-L205 HydrophobicContact CD1-CD1 4.04Å; L167-L205 HydrophobicContact CD1-CD2 3.86Å; L167-L205 HydrophobicContact CD1-CG 4.36Å; L167-L205 HydrophobicContact CG-CD2 4.43Å; M171-L205 HydrophobicContact CG-CD2 3.41Å; M171-L205 VanDerWaalsContact CG-CD2 3.41Å; M171-L205 HydrophobicContact SD-CD2 4.19Å; L176-L205 HydrophobicContact CD1-CB 4.33Å; L176-L205 WeakPolarHBondContact CD1-O 3.28Å; L186-L205 HydrophobicContact CD1-CD1 3.96Å; L186-L205 HydrophobicContact CD2-CD1 4.03Å; L201-L205 HydrophobicContact CD1-CG 4.5Å; L201-L205 HydrophobicContact CG-CD1 4.38Å; L201-L205 WeakPolarHBondContact O-CG 3.27Å; L201-L205 PolarHBondContact O-N 2.85Å; L205-F207 PolarHBondContact O-N 2.79Å; L205-H208 PolarHBondContact O-N 3.45Å; L205-S209 PolarHBondContact O-N 2.88Å |
| 206 | F | 79 | Confident | 73.4 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.018 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.7 | -47.8 | 179.9 | -172.3 | -93.9 | 0 | 0 | 0 | 113.5 | L176 L180 S202 I203 L204 H208 A210 K221 Q224 A225 L228 | L176-F206 VanDerWaalsContact CD1-CA 3.47Å; L176-F206 HydrophobicContact CD1-CB 4.31Å; L176-F206 HydrophobicContact CD1-CD2 4.21Å; L180-F206 HydrophobicContact CD2-CD2 3.83Å; L180-F206 HydrophobicContact CD2-CE2 4.12Å; S202-F206 WeakPolarHBondContact O-CB 3.47Å; S202-F206 PolarHBondContact O-N 3.26Å; I203-F206 WeakPolarHBondContact O-CB 3.33Å; I203-F206 PolarHBondContact O-N 2.84Å; L204-F206 VanDerWaalsContact C-N 3.29Å; L204-F206 PolarHBondContact O-N 3.34Å; F206-H208 VanDerWaalsContact C-N 3.35Å; F206-A210 WeakPolarHBondContact O-CB 3.37Å; F206-A210 PolarHBondContact O-N 2.99Å; F206-A210 VanDerWaalsContact O-N 3.15Å; F206-K221 HydrophobicContact CE1-CB 4.39Å; F206-K221 HydrophobicContact CE1-CD 4.34Å; F206-K221 WeakPolarHBondContact CE1-O 3.47Å; F206-K221 HydrophobicContact CE2-CD 3.92Å; F206-K221 HydrophobicContact CZ-CB 3.99Å; F206-K221 HydrophobicContact CZ-CD 3.48Å; F206-K221 VanDerWaalsContact CZ-CD 3.48Å; F206-K221 HydrophobicContact CZ-CG 4.34Å; F206-K221 WeakPolarHBondContact CZ-O 3.46Å; F206-Q224 HydrophobicContact CE2-CB 3.57Å; F206-Q224 HydrophobicContact CZ-CB 3.58Å; F206-A225 HydrophobicContact CD1-CB 4.13Å; F206-A225 HydrophobicContact CE1-CB 3.7Å; F206-A225 HydrophobicContact CZ-CB 4.33Å; F206-L228 HydrophobicContact CB-CD2 3.78Å; F206-L228 HydrophobicContact CD2-CD2 4.45Å; F206-L228 HydrophobicContact CG-CD2 4.09Å |
| 207 | F | 73.2 | Confident | 73.5 | Confident | 130 Ų | 130 | 50.4 Ų | 50.4 | 57% | 0.57 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -68.9 | -32.2 | 178.1 | -74.4 | -60.3 | 0 | 0 | 0 | 112.9 | I203 L204 L205 A210 S211 | I203-F207 HydrophobicContact CG2-CD2 3.73Å; I203-F207 HydrophobicContact CG2-CE2 3.53Å; I203-F207 VanDerWaalsContact O-CD2 3.3Å; I203-F207 WeakPolarHBondContact O-CD2 3.28Å; I203-F207 PolarHBondContact O-N 3.04Å; L204-F207 PolarHBondContact O-N 3.16Å; L205-F207 PolarHBondContact O-N 2.79Å; F207-A210 PolarHBondContact O-N 3.15Å; F207-S211 PolarHBondContact O-N 2.85Å |
| 208 | H | 71.6 | Confident | 73.5 | Confident | 55 Ų | 55 | 50.5 Ų | 50.5 | 26% | 0.255 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62 | -53 | 173.7 | -171.6 | 86.3 | 0 | 0 | 0 | 111.4 | G115 M171 L204 L205 F206 A210 S211 | G115-H208 PolarHBondContact O-CE1 3.44Å; G115-H208 VanDerWaalsContact O-CE1 3.28Å; M171-H208 WeakPolarHBondContact CE-NE2 3.39Å; L204-H208 PolarHBondContact O-N 3.06Å; L204-H208 VanDerWaalsContact O-N 3.1Å; L205-H208 PolarHBondContact O-N 3.45Å; F206-H208 VanDerWaalsContact C-N 3.35Å; H208-A210 PolarHBondContact O-N 3.48Å; H208-A210 VanDerWaalsContact O-N 3.1Å; H208-S211 WeakPolarHBondContact O-CB 3.34Å; H208-S211 PolarHBondContact O-N 3.34Å; H208-S211 VanDerWaalsContact O-N 3.09Å |
| 209 | S | 69.1 | Low | 73.6 | Confident | 28 Ų | 28 | 54.3 Ų | 54.3 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -1.8 | 177 | -56.6 | 0 | 0 | 0 | 0 | 114.3 | L205 | L205-S209 PolarHBondContact O-N 2.88Š|
| 210 | A | 65.4 | Low | 73.6 | Confident | 23 Ų | 23 | 55.9 Ų | 55.9 | 19% | 0.19 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -12.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F206 F207 H208 G212 A213 K221 | F206-A210 WeakPolarHBondContact O-CB 3.37Å; F206-A210 PolarHBondContact O-N 2.99Å; F206-A210 VanDerWaalsContact O-N 3.15Å; F207-A210 PolarHBondContact O-N 3.15Å; H208-A210 PolarHBondContact O-N 3.48Å; H208-A210 VanDerWaalsContact O-N 3.1Å; A210-G212 PolarHBondContact O-N 3.46Å; A210-A213 WeakPolarHBondContact O-CB 3.07Å; A210-A213 PolarHBondContact O-N 3.01Å; A210-A213 VanDerWaalsContact O-N 3.09Å; A210-K221 HydrophobicContact CB-CD 4.34Å; A210-K221 HydrophobicContact CB-CG 4.48Å |
| 211 | S | 67.1 | Low | 73.7 | Confident | 71 Ų | 71 | 54.2 Ų | 54.2 | 50% | 0.497 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -2.8 | -167.6 | -166.2 | 0 | 0 | 0 | 0 | 116 | F207 H208 | F207-S211 PolarHBondContact O-N 2.85Å; H208-S211 WeakPolarHBondContact O-CB 3.34Å; H208-S211 PolarHBondContact O-N 3.34Å; H208-S211 VanDerWaalsContact O-N 3.09Å |
| 212 | G | 63.8 | Low | 73.9 | Confident | 81 Ų | 81 | 58.5 Ų | 58.5 | 84% | 0.835 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.9 | 11.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | A210 | A210-G212 PolarHBondContact O-N 3.46Š|
| 213 | A | 64.4 | Low | 74.1 | Confident | 37 Ų | 37 | 64.8 Ų | 64.8 | 31% | 0.306 | 39% | 0.385 | S | S | . | . | trans | -73.3 | 140.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A210 A217 I218 | A210-A213 WeakPolarHBondContact O-CB 3.07Å; A210-A213 PolarHBondContact O-N 3.01Å; A210-A213 VanDerWaalsContact O-N 3.09Å; A213-A217 HydrophobicContact CB-CB 4.16Å; A213-I218 HydrophobicContact CB-CG1 4.41Å | ||
| 214 | S | 69.4 | Low | 74.2 | Confident | 84 Ų | 84 | 66.1 Ų | 66.1 | 59% | 0.587 | 39% | 0.39 | S | S | * | . | trans | -77.1 | 159.6 | 170.2 | 68 | 0 | 0 | 0 | 0 | 111.5 | V216 A217 I218 | S214-V216 VanDerWaalsContact C-N 3.32Å; S214-V216 PolarHBondContact O-N 2.87Å; S214-V216 VanDerWaalsContact O-N 3.16Å; S214-A217 CarbonylContact O-C 3.47Å; S214-A217 WeakPolarHBondContact O-CA 3.42Å; S214-A217 WeakPolarHBondContact O-CB 3.35Å; S214-A217 PolarHBondContact O-N 3.5Å; S214-I218 PolarHBondContact O-N 3.32Å | ||
| 215 | V | 66.5 | Low | 74.5 | Confident | 114 Ų | 114 | 66.5 Ų | 66.5 | 69% | 0.691 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -51.3 | -44.2 | -172 | -179.6 | 0 | 0 | 0 | 0 | 113.8 | A217 I218 | V215-A217 PolarHBondContact O-N 3.34Å; V215-I218 WeakPolarHBondContact O-CB 3.29Å; V215-I218 PolarHBondContact O-N 3.03Å |
| 216 | V | 64.9 | Low | 75 | Confident | 116 Ų | 116 | 72.5 Ų | 72.5 | 70% | 0.703 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -68.8 | -23.5 | 178.6 | -177.9 | 0 | 0 | 0 | 0 | 112.4 | S214 | S214-V216 VanDerWaalsContact C-N 3.32Å; S214-V216 PolarHBondContact O-N 2.87Å; S214-V216 VanDerWaalsContact O-N 3.16Å |
| 217 | A | 73.1 | Confident | 75.3 | Confident | 35 Ų | 35 | 74.8 Ų | 74.8 | 29% | 0.289 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -83.4 | -17.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113 | A213 S214 V215 K221 | A213-A217 HydrophobicContact CB-CB 4.16Å; S214-A217 CarbonylContact O-C 3.47Å; S214-A217 WeakPolarHBondContact O-CA 3.42Å; S214-A217 WeakPolarHBondContact O-CB 3.35Å; S214-A217 PolarHBondContact O-N 3.5Å; V215-A217 PolarHBondContact O-N 3.34Å; A217-K221 WeakPolarHBondContact O-CB 3.4Å; A217-K221 VanDerWaalsContact O-CG 3.27Å; A217-K221 WeakPolarHBondContact O-CG 3.48Å; A217-K221 PolarHBondContact O-N 3.43Å |
| 218 | I | 75.3 | Confident | 76 | Confident | 76 Ų | 76 | 68.7 Ų | 68.7 | 39% | 0.39 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.4 | -44.5 | 176.6 | -64.2 | 177.2 | 0 | 0 | 0 | 110.4 | A213 S214 V215 N220 K221 I222 | A213-I218 HydrophobicContact CB-CG1 4.41Å; S214-I218 PolarHBondContact O-N 3.32Å; V215-I218 WeakPolarHBondContact O-CB 3.29Å; V215-I218 PolarHBondContact O-N 3.03Å; I218-N220 VanDerWaalsContact C-N 3.35Å; I218-N220 PolarHBondContact O-N 3.24Å; I218-K221 CarbonylContact O-C 3.58Å; I218-K221 WeakPolarHBondContact O-CA 3.31Å; I218-K221 WeakPolarHBondContact O-CB 3.36Å; I218-K221 PolarHBondContact O-N 3.11Å; I218-I222 HydrophobicContact CG2-CD1 3.88Å; I218-I222 HydrophobicContact CG2-CG1 4.22Å; I218-I222 WeakPolarHBondContact O-CG1 3.33Å; I218-I222 PolarHBondContact O-N 3.03Å |
| 219 | D | 81.8 | Confident | 76.7 | Confident | 105 Ų | 105 | 69.8 Ų | 69.8 | 56% | 0.561 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -58.2 | -47.1 | 178.8 | -63.6 | -34.1 | 0 | 0 | 0 | 111.4 | K221 I222 E223 | D219-K221 VanDerWaalsContact C-N 3.25Å; D219-K221 PolarHBondContact O-N 3.21Å; D219-I222 WeakPolarHBondContact O-CB 3.28Å; D219-I222 PolarHBondContact O-N 3.29Å; D219-I222 VanDerWaalsContact O-N 3.12Å; D219-E223 PolarHBondContact O-N 3.5Å |
| 220 | N | 83.1 | Confident | 77.6 | Confident | 93 Ų | 93 | 73.7 Ų | 73.7 | 50% | 0.497 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.5 | -29.9 | 174.3 | -67.7 | -16.3 | 0 | 0 | 0 | 112.8 | I218 Q224 | I218-N220 VanDerWaalsContact C-N 3.35Å; I218-N220 PolarHBondContact O-N 3.24Å; N220-Q224 VanDerWaalsContact O-CG 3.28Å; N220-Q224 WeakPolarHBondContact O-CG 3.49Å; N220-Q224 PolarHBondContact O-N 3.19Å; N220-Q224 VanDerWaalsContact O-N 3.1Å; N220-Q224 PolarHBondContact O-NE2 2.88Å |
| 221 | K | 81.7 | Confident | 78.7 | Confident | 33 Ų | 33 | 73.9 Ų | 73.9 | 14% | 0.143 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -78.6 | -30.4 | 174.4 | -72.9 | -72 | 179.4 | -170.1 | 0 | 112.3 | F206 A210 A217 I218 D219 Q224 A225 | F206-K221 HydrophobicContact CE1-CB 4.39Å; F206-K221 HydrophobicContact CE1-CD 4.34Å; F206-K221 WeakPolarHBondContact CE1-O 3.47Å; F206-K221 HydrophobicContact CE2-CD 3.92Å; F206-K221 HydrophobicContact CZ-CB 3.99Å; F206-K221 HydrophobicContact CZ-CD 3.48Å; F206-K221 VanDerWaalsContact CZ-CD 3.48Å; F206-K221 HydrophobicContact CZ-CG 4.34Å; F206-K221 WeakPolarHBondContact CZ-O 3.46Å; A210-K221 HydrophobicContact CB-CD 4.34Å; A210-K221 HydrophobicContact CB-CG 4.48Å; A217-K221 WeakPolarHBondContact O-CB 3.4Å; A217-K221 VanDerWaalsContact O-CG 3.27Å; A217-K221 WeakPolarHBondContact O-CG 3.48Å; A217-K221 PolarHBondContact O-N 3.43Å; I218-K221 CarbonylContact O-C 3.58Å; I218-K221 WeakPolarHBondContact O-CA 3.31Å; I218-K221 WeakPolarHBondContact O-CB 3.36Å; I218-K221 PolarHBondContact O-N 3.11Å; D219-K221 VanDerWaalsContact C-N 3.25Å; D219-K221 PolarHBondContact O-N 3.21Å; K221-Q224 VanDerWaalsContact NZ-OE1 3.12Å; K221-A225 WeakPolarHBondContact O-CB 3.42Å; K221-A225 PolarHBondContact O-N 3.27Å |
| 222 | I | 82.8 | Confident | 79.6 | Confident | 91 Ų | 91 | 71 Ų | 71 | 47% | 0.467 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.9 | -45 | 170.6 | -68.2 | 166.9 | 0 | 0 | 0 | 109.5 | I218 D219 A225 M226 | I218-I222 HydrophobicContact CG2-CD1 3.88Å; I218-I222 HydrophobicContact CG2-CG1 4.22Å; I218-I222 WeakPolarHBondContact O-CG1 3.33Å; I218-I222 PolarHBondContact O-N 3.03Å; D219-I222 WeakPolarHBondContact O-CB 3.28Å; D219-I222 PolarHBondContact O-N 3.29Å; D219-I222 VanDerWaalsContact O-N 3.12Å; I222-A225 PolarHBondContact O-N 2.96Å; I222-M226 HydrophobicContact CG2-SD 4.2Å; I222-M226 WeakPolarHBondContact O-CG 3.48Å; I222-M226 PolarHBondContact O-N 3.41Å |
| 223 | E | 86.3 | Confident | 80.9 | Confident | 134 Ų | 134 | 72.3 Ų | 72.3 | 63% | 0.626 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61.8 | -45.7 | 175.4 | -171.4 | 173.1 | -142.7 | 0 | 0 | 111.9 | D219 A225 M226 D227 | D219-E223 PolarHBondContact O-N 3.5Å; E223-A225 VanDerWaalsContact C-N 3.32Å; E223-A225 PolarHBondContact O-N 2.85Å; E223-M226 PolarHBondContact O-N 3.15Å; E223-D227 PolarHBondContact O-N 2.92Å |
| 224 | Q | 84.1 | Confident | 82 | Confident | 60 Ų | 60 | 75.1 Ų | 75.1 | 28% | 0.28 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.2 | -38.9 | 173.5 | -76.7 | 160.9 | 61.2 | 0 | 0 | 112.8 | L180 F206 N220 K221 L228 | L180-Q224 HydrophobicContact CD1-CB 4.05Å; L180-Q224 HydrophobicContact CD1-CG 3.88Å; F206-Q224 HydrophobicContact CE2-CB 3.57Å; F206-Q224 HydrophobicContact CZ-CB 3.58Å; N220-Q224 VanDerWaalsContact O-CG 3.28Å; N220-Q224 WeakPolarHBondContact O-CG 3.49Å; N220-Q224 PolarHBondContact O-N 3.19Å; N220-Q224 VanDerWaalsContact O-N 3.1Å; N220-Q224 PolarHBondContact O-NE2 2.88Å; K221-Q224 VanDerWaalsContact NZ-OE1 3.12Å; Q224-L228 VanDerWaalsContact O-CB 3.31Å; Q224-L228 WeakPolarHBondContact O-CB 3.38Å; Q224-L228 PolarHBondContact O-N 3.32Å |
| 225 | A | 83.9 | Confident | 82.8 | Confident | 22 Ų | 22 | 75 Ų | 75 | 18% | 0.182 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -67.3 | -39.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F206 K221 I222 E223 L228 V229 | F206-A225 HydrophobicContact CD1-CB 4.13Å; F206-A225 HydrophobicContact CE1-CB 3.7Å; F206-A225 HydrophobicContact CZ-CB 4.33Å; K221-A225 WeakPolarHBondContact O-CB 3.42Å; K221-A225 PolarHBondContact O-N 3.27Å; I222-A225 PolarHBondContact O-N 2.96Å; E223-A225 VanDerWaalsContact C-N 3.32Å; E223-A225 PolarHBondContact O-N 2.85Å; A225-L228 PolarHBondContact O-N 2.81Å; A225-V229 WeakPolarHBondContact O-CG2 3.35Å; A225-V229 PolarHBondContact O-N 3.05Å |
| 226 | M | 88.2 | Confident | 83.7 | Confident | 130 Ų | 130 | 71.6 Ų | 71.6 | 64% | 0.64 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.9 | -45.5 | 175.3 | -73.5 | 175.1 | 58.2 | 0 | 0 | 111.5 | I222 E223 V229 K230 | I222-M226 HydrophobicContact CG2-SD 4.2Å; I222-M226 WeakPolarHBondContact O-CG 3.48Å; I222-M226 PolarHBondContact O-N 3.41Å; E223-M226 PolarHBondContact O-N 3.15Å; M226-V229 PolarHBondContact O-N 3.46Å; M226-K230 WeakPolarHBondContact O-CB 3.44Å; M226-K230 PolarHBondContact O-N 3Å |
| 227 | D | 86.1 | Confident | 84.8 | Confident | 53 Ų | 53 | 70 Ų | 70 | 28% | 0.283 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.8 | -35.7 | 176.5 | -111.8 | 11.5 | 0 | 0 | 0 | 111.9 | E223 K230 N231 | E223-D227 PolarHBondContact O-N 2.92Å; D227-K230 PolarHBondContact O-N 3.4Å; D227-K230 IonicContact OD1-NZ 2.79Å; D227-K230 PolarHBondContact OD1-NZ 3.43Å; D227-N231 WeakPolarHBondContact O-CB 3.24Å; D227-N231 PolarHBondContact O-N 2.81Å; D227-N231 PolarHBondContact O-ND2 2.87Å |
| 228 | L | 86.7 | Confident | 85.7 | Confident | 2 Ų | 2 | 75.6 Ų | 75.6 | 1% | 0.01 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.2 | -50.5 | 173.4 | 178.1 | 60.7 | 0 | 0 | 0 | 112.3 | L180 I203 F206 Q224 A225 N231 H232 | L180-L228 HydrophobicContact CD2-CB 3.88Å; L180-L228 HydrophobicContact CD2-CD1 4.02Å; L180-L228 HydrophobicContact CD2-CD2 4.16Å; L180-L228 HydrophobicContact CD2-CG 4.24Å; I203-L228 HydrophobicContact CG1-CD2 4.01Å; I203-L228 HydrophobicContact CG1-CG 4.49Å; F206-L228 HydrophobicContact CB-CD2 3.78Å; F206-L228 HydrophobicContact CD2-CD2 4.45Å; F206-L228 HydrophobicContact CG-CD2 4.09Å; Q224-L228 VanDerWaalsContact O-CB 3.31Å; Q224-L228 WeakPolarHBondContact O-CB 3.38Å; Q224-L228 PolarHBondContact O-N 3.32Å; A225-L228 PolarHBondContact O-N 2.81Å; L228-N231 PolarHBondContact O-N 2.99Å; L228-H232 WeakPolarHBondContact CD1-CE1 3.4Å; L228-H232 WeakPolarHBondContact CD1-ND1 3.38Å; L228-H232 PolarHBondContact O-N 3.4Å; L228-H232 VanDerWaalsContact O-N 3.1Å; L228-H232 PolarHBondContact O-ND1 3.15Å |
| 229 | V | 87.6 | Confident | 86.4 | Confident | 77 Ų | 77 | 76.1 Ų | 76.1 | 47% | 0.467 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.4 | -42.1 | 179.3 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | I203 A225 M226 H232 L233 | I203-V229 HydrophobicContact CD1-CG2 4.28Å; A225-V229 WeakPolarHBondContact O-CG2 3.35Å; A225-V229 PolarHBondContact O-N 3.05Å; M226-V229 PolarHBondContact O-N 3.46Å; V229-H232 PolarHBondContact O-N 2.91Å; V229-L233 VanDerWaalsContact O-CB 3.28Å; V229-L233 WeakPolarHBondContact O-CB 3.38Å; V229-L233 PolarHBondContact O-N 3.42Å |
| 230 | K | 88.4 | Confident | 86.7 | Confident | 110 Ų | 110 | 76.5 Ų | 76.5 | 48% | 0.478 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61 | -44 | 175.5 | 173.2 | 177.8 | 152.5 | -150.5 | 0 | 112.2 | M226 D227 L233 M234 | M226-K230 WeakPolarHBondContact O-CB 3.44Å; M226-K230 PolarHBondContact O-N 3Å; D227-K230 PolarHBondContact O-N 3.4Å; D227-K230 IonicContact OD1-NZ 2.79Å; D227-K230 PolarHBondContact OD1-NZ 3.43Å; K230-L233 PolarHBondContact O-N 3.26Å; K230-M234 HydrophobicContact CG-CE 4.1Å; K230-M234 HydrophobicContact CG-SD 4.49Å; K230-M234 WeakPolarHBondContact O-CB 3.37Å; K230-M234 VanDerWaalsContact O-CG 3.27Å; K230-M234 WeakPolarHBondContact O-CG 3.19Å; K230-M234 PolarHBondContact O-N 3.01Å |
| 231 | N | 87.1 | Confident | 87.2 | Confident | 28 Ų | 28 | 75.2 Ų | 75.2 | 15% | 0.15 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65 | -43.6 | 177.7 | -74.5 | -14.4 | 0 | 0 | 0 | 112 | L180 P183 D227 L228 M234 Y235 | L180-N231 PolarHBondContact O-ND2 3.35Å; P183-N231 HydrophobicContact CG-CB 4.16Å; D227-N231 WeakPolarHBondContact O-CB 3.24Å; D227-N231 PolarHBondContact O-N 2.81Å; D227-N231 PolarHBondContact O-ND2 2.87Å; L228-N231 PolarHBondContact O-N 2.99Å; N231-M234 VanDerWaalsContact OD1-CE 3.27Å; N231-M234 WeakPolarHBondContact OD1-CE 3.34Å; N231-Y235 PolarHBondContact O-N 3Å |
| 232 | H | 87.6 | Confident | 87.8 | Confident | 10 Ų | 10 | 77.8 Ų | 77.8 | 5% | 0.046 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -66.8 | -40.4 | 175.7 | -75.9 | 84 | 0 | 0 | 0 | 112.6 | T199 L228 V229 Y235 A236 | T199-H232 VanDerWaalsContact CA-CD2 3.48Å; T199-H232 WeakPolarHBondContact CA-CD2 3.34Å; T199-H232 HydrophobicContact CG2-CB 3.71Å; T199-H232 PolarHBondContact OG1-CD2 2.97Å; T199-H232 VanDerWaalsContact OG1-CD2 3.26Å; L228-H232 WeakPolarHBondContact CD1-CE1 3.4Å; L228-H232 WeakPolarHBondContact CD1-ND1 3.38Å; L228-H232 PolarHBondContact O-N 3.4Å; L228-H232 VanDerWaalsContact O-N 3.1Å; L228-H232 PolarHBondContact O-ND1 3.15Å; V229-H232 PolarHBondContact O-N 2.91Å; H232-Y235 PolarHBondContact O-N 2.7Å; H232-A236 WeakPolarHBondContact O-CB 3.32Å; H232-A236 PolarHBondContact O-N 2.95Å |
| 233 | L | 89.5 | Confident | 88.4 | Confident | 108 Ų | 108 | 77 Ų | 77 | 57% | 0.565 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -66.1 | -42.2 | 176.4 | -176.8 | 62.9 | 0 | 0 | 0 | 111.9 | V229 K230 Y235 A236 V237 | V229-L233 VanDerWaalsContact O-CB 3.28Å; V229-L233 WeakPolarHBondContact O-CB 3.38Å; V229-L233 PolarHBondContact O-N 3.42Å; K230-L233 PolarHBondContact O-N 3.26Å; L233-Y235 VanDerWaalsContact C-N 3.28Å; L233-Y235 PolarHBondContact O-N 3.38Å; L233-A236 PolarHBondContact O-N 3.07Å; L233-V237 HydrophobicContact CD1-CG2 3.99Å; L233-V237 HydrophobicContact CG-CG2 4.34Å; L233-V237 WeakPolarHBondContact O-CB 3.47Å; L233-V237 VanDerWaalsContact O-CG2 3.27Å; L233-V237 WeakPolarHBondContact O-CG2 3.16Å; L233-V237 PolarHBondContact O-N 2.87Å |
| 234 | M | 87.1 | Confident | 88.8 | Confident | 97 Ų | 97 | 74.5 Ų | 74.5 | 48% | 0.478 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.2 | -33 | 173.7 | -74.7 | -171.1 | -55.6 | 0 | 0 | 112.6 | K230 N231 R238 | K230-M234 HydrophobicContact CG-CE 4.1Å; K230-M234 HydrophobicContact CG-SD 4.49Å; K230-M234 WeakPolarHBondContact O-CB 3.37Å; K230-M234 VanDerWaalsContact O-CG 3.27Å; K230-M234 WeakPolarHBondContact O-CG 3.19Å; K230-M234 PolarHBondContact O-N 3.01Å; N231-M234 VanDerWaalsContact OD1-CE 3.27Å; N231-M234 WeakPolarHBondContact OD1-CE 3.34Å; M234-R238 WeakPolarHBondContact O-CB 3.42Å; M234-R238 PolarHBondContact O-N 3.29Å |
| 235 | Y | 87.4 | Confident | 89.4 | Confident | 80 Ų | 80 | 76.9 Ų | 76.9 | 31% | 0.314 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -69.9 | -52.7 | 173.8 | -176 | -83.8 | 0 | 0 | 0 | 111.1 | P183 N231 H232 L233 V237 R238 E239 | P183-Y235 HydrophobicContact CB-CG 4.37Å; N231-Y235 PolarHBondContact O-N 3Å; H232-Y235 PolarHBondContact O-N 2.7Å; L233-Y235 VanDerWaalsContact C-N 3.28Å; L233-Y235 PolarHBondContact O-N 3.38Å; Y235-V237 PolarHBondContact O-N 3.37Å; Y235-R238 WeakPolarHBondContact O-CB 3.46Å; Y235-R238 PolarHBondContact O-N 3.4Å; Y235-R238 VanDerWaalsContact O-N 3.08Å; Y235-E239 HydrophobicContact CE1-CB 4.27Å; Y235-E239 WeakPolarHBondContact CE1-OE2 3.42Å; Y235-E239 PolarHBondContact O-N 3.38Å; Y235-E239 PolarHBondContact OH-OE1 2.05Å |
| 236 | A | 84.8 | Confident | 89.9 | Confident | 43 Ų | 43 | 79.6 Ų | 79.6 | 36% | 0.355 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.5 | -46.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | H232 L233 R238 E239 E240 | H232-A236 WeakPolarHBondContact O-CB 3.32Å; H232-A236 PolarHBondContact O-N 2.95Å; L233-A236 PolarHBondContact O-N 3.07Å; A236-R238 VanDerWaalsContact C-N 3.26Å; A236-R238 PolarHBondContact O-N 3Å; A236-E239 PolarHBondContact O-N 3.16Å; A236-E240 WeakPolarHBondContact O-CG 3.27Å; A236-E240 PolarHBondContact O-N 3.33Å |
| 237 | V | 89.3 | Confident | 90.3 | Very high | 83 Ų | 83 | 78.2 Ų | 78.2 | 50% | 0.503 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.4 | -33.2 | 176.6 | 171.6 | 0 | 0 | 0 | 0 | 111.7 | L233 Y235 V241 | L233-V237 HydrophobicContact CD1-CG2 3.99Å; L233-V237 HydrophobicContact CG-CG2 4.34Å; L233-V237 WeakPolarHBondContact O-CB 3.47Å; L233-V237 VanDerWaalsContact O-CG2 3.27Å; L233-V237 WeakPolarHBondContact O-CG2 3.16Å; L233-V237 PolarHBondContact O-N 2.87Å; Y235-V237 PolarHBondContact O-N 3.37Å; V237-V241 VanDerWaalsContact O-CB 3.27Å; V237-V241 WeakPolarHBondContact O-CB 3.49Å; V237-V241 WeakPolarHBondContact O-CG2 3.39Å; V237-V241 PolarHBondContact O-N 2.97Å; V237-V241 VanDerWaalsContact O-N 3.14Å |
| 238 | R | 90.9 | Very high | 90.8 | Very high | 152 Ų | 152 | 80.8 Ų | 80.8 | 57% | 0.574 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -68.9 | -46.6 | 173.6 | -177.2 | -173.7 | -61.9 | 149.8 | 2 | 111.5 | M234 Y235 A236 V241 E242 | M234-R238 WeakPolarHBondContact O-CB 3.42Å; M234-R238 PolarHBondContact O-N 3.29Å; Y235-R238 WeakPolarHBondContact O-CB 3.46Å; Y235-R238 PolarHBondContact O-N 3.4Å; Y235-R238 VanDerWaalsContact O-N 3.08Å; A236-R238 VanDerWaalsContact C-N 3.26Å; A236-R238 PolarHBondContact O-N 3Å; R238-V241 PolarHBondContact O-N 2.92Å; R238-E242 WeakPolarHBondContact CG-OE1 3.3Å; R238-E242 WeakPolarHBondContact O-CB 3.39Å; R238-E242 PolarHBondContact O-N 3.49Å |
| 239 | E | 89.4 | Confident | 91.3 | Very high | 88 Ų | 88 | 87.3 Ų | 87.3 | 41% | 0.411 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.2 | -45 | -178 | -167.4 | 160.3 | -118.2 | 0 | 0 | 111.5 | Y235 A236 V241 E242 I243 | Y235-E239 HydrophobicContact CE1-CB 4.27Å; Y235-E239 WeakPolarHBondContact CE1-OE2 3.42Å; Y235-E239 PolarHBondContact O-N 3.38Å; Y235-E239 PolarHBondContact OH-OE1 2.05Å; A236-E239 PolarHBondContact O-N 3.16Å; E239-V241 PolarHBondContact O-N 3.13Å; E239-E242 PolarHBondContact O-N 3.1Å; E239-I243 HydrophobicContact CG-CD1 4.17Å; E239-I243 VanDerWaalsContact O-CG1 3.28Å; E239-I243 WeakPolarHBondContact O-CG1 3.38Å; E239-I243 PolarHBondContact O-N 3.15Å |
| 240 | E | 88.1 | Confident | 91.7 | Very high | 112 Ų | 112 | 88.2 Ų | 88.2 | 52% | 0.523 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -58.4 | -47.3 | 172.2 | -71.4 | -64.2 | 159 | 0 | 0 | 112.2 | A236 E242 I243 L244 | A236-E240 WeakPolarHBondContact O-CG 3.27Å; A236-E240 PolarHBondContact O-N 3.33Å; E240-E242 VanDerWaalsContact C-N 3.28Å; E240-E242 PolarHBondContact O-N 2.89Å; E240-I243 PolarHBondContact O-N 2.8Å; E240-L244 WeakPolarHBondContact O-CB 3.48Å; E240-L244 WeakPolarHBondContact O-CD1 3.41Å; E240-L244 PolarHBondContact O-N 2.91Å |
| 241 | V | 95.2 | Very high | 92.2 | Very high | 66 Ų | 66 | 88.5 Ų | 88.5 | 40% | 0.4 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.3 | -33.1 | 177.8 | 165.3 | 0 | 0 | 0 | 0 | 112.1 | V237 R238 E239 K245 | V237-V241 VanDerWaalsContact O-CB 3.27Å; V237-V241 WeakPolarHBondContact O-CB 3.49Å; V237-V241 WeakPolarHBondContact O-CG2 3.39Å; V237-V241 PolarHBondContact O-N 2.97Å; V237-V241 VanDerWaalsContact O-N 3.14Å; R238-V241 PolarHBondContact O-N 2.92Å; E239-V241 PolarHBondContact O-N 3.13Å; V241-K245 HydrophobicContact CG1-CD 4.35Å; V241-K245 VanDerWaalsContact CG1-CE 3.47Å; V241-K245 WeakPolarHBondContact O-CD 3.38Å; V241-K245 WeakPolarHBondContact O-CG 3.44Å; V241-K245 PolarHBondContact O-N 2.94Å |
| 242 | E | 94.1 | Very high | 92.7 | Very high | 88 Ų | 88 | 91.7 Ų | 91.7 | 41% | 0.411 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -70.5 | -40.8 | 173.9 | -98.7 | 60 | 126 | 0 | 0 | 111.9 | R238 E239 E240 K245 E246 | R238-E242 WeakPolarHBondContact CG-OE1 3.3Å; R238-E242 WeakPolarHBondContact O-CB 3.39Å; R238-E242 PolarHBondContact O-N 3.49Å; E239-E242 PolarHBondContact O-N 3.1Å; E240-E242 VanDerWaalsContact C-N 3.28Å; E240-E242 PolarHBondContact O-N 2.89Å; E242-K245 PolarHBondContact O-N 3.37Å; E242-K245 IonicContact OE2-NZ 3.81Å; E242-K245 PolarHBondContact OE2-NZ 2.98Å; E242-E246 PolarHBondContact O-N 3.48Å |
| 243 | I | 93.9 | Very high | 93.1 | Very high | 73 Ų | 73 | 97.6 Ų | 97.6 | 37% | 0.374 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63 | -48.4 | 174.5 | -69.8 | 162.5 | 0 | 0 | 0 | 110.8 | E239 E240 K245 E246 Q247 | E239-I243 HydrophobicContact CG-CD1 4.17Å; E239-I243 VanDerWaalsContact O-CG1 3.28Å; E239-I243 WeakPolarHBondContact O-CG1 3.38Å; E239-I243 PolarHBondContact O-N 3.15Å; E240-I243 PolarHBondContact O-N 2.8Å; I243-K245 VanDerWaalsContact C-N 3.3Å; I243-K245 PolarHBondContact O-N 3.2Å; I243-E246 PolarHBondContact O-N 3.09Å; I243-Q247 HydrophobicContact CG2-CG 4.39Å; I243-Q247 WeakPolarHBondContact O-CG 3.5Å; I243-Q247 PolarHBondContact O-N 3.32Å |
| 244 | L | 95.9 | Very high | 93.5 | Very high | 83 Ų | 83 | 97.1 Ų | 97.1 | 44% | 0.435 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.3 | -37.5 | 178.4 | -93.9 | 61.4 | 0 | 0 | 0 | 112 | E240 E246 Q247 I248 | E240-L244 WeakPolarHBondContact O-CB 3.48Å; E240-L244 WeakPolarHBondContact O-CD1 3.41Å; E240-L244 PolarHBondContact O-N 2.91Å; L244-E246 VanDerWaalsContact C-N 3.31Å; L244-E246 PolarHBondContact O-N 2.95Å; L244-Q247 PolarHBondContact O-N 3.1Å; L244-I248 WeakPolarHBondContact O-CB 3.48Å; L244-I248 WeakPolarHBondContact O-CD1 3.08Å; L244-I248 WeakPolarHBondContact O-CG1 3.43Å; L244-I248 PolarHBondContact O-N 3.27Å |
| 245 | K | 95.9 | Very high | 93.9 | Very high | 110 Ų | 110 | 96.4 Ų | 96.4 | 48% | 0.478 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.4 | -34.8 | 174.4 | -75.7 | 163.3 | -171.8 | 165.5 | 0 | 112.9 | V241 E242 I243 R249 | V241-K245 HydrophobicContact CG1-CD 4.35Å; V241-K245 VanDerWaalsContact CG1-CE 3.47Å; V241-K245 WeakPolarHBondContact O-CD 3.38Å; V241-K245 WeakPolarHBondContact O-CG 3.44Å; V241-K245 PolarHBondContact O-N 2.94Å; E242-K245 PolarHBondContact O-N 3.37Å; E242-K245 IonicContact OE2-NZ 3.81Å; E242-K245 PolarHBondContact OE2-NZ 2.98Å; I243-K245 VanDerWaalsContact C-N 3.3Å; I243-K245 PolarHBondContact O-N 3.2Å; K245-R249 PolarHBondContact O-N 2.95Å |
| 246 | E | 95.1 | Very high | 94.3 | Very high | 79 Ų | 79 | 95.1 Ų | 95.1 | 37% | 0.369 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -73.9 | -46.1 | 177.3 | -157.9 | 60.5 | -123.4 | 0 | 0 | 110.6 | E242 I243 L244 I248 R249 E250 | E242-E246 PolarHBondContact O-N 3.48Å; I243-E246 PolarHBondContact O-N 3.09Å; L244-E246 VanDerWaalsContact C-N 3.31Å; L244-E246 PolarHBondContact O-N 2.95Å; E246-I248 VanDerWaalsContact C-N 3.33Å; E246-I248 PolarHBondContact O-N 3.09Å; E246-R249 VanDerWaalsContact CD-CZ 3.46Å; E246-R249 WeakPolarHBondContact O-CB 3.4Å; E246-R249 PolarHBondContact O-N 3.24Å; E246-R249 IonicContact OE1-CZ 3.08Å; E246-R249 IonicContact OE1-NE 3.53Å; E246-R249 IonicContact OE1-NH1 2.62Å; E246-R249 PolarHBondContact OE1-NH1 3.12Å; E246-R249 IonicContact OE1-NH2 2.71Å; E246-R249 IonicContact OE2-CZ 3.65Å; E246-R249 IonicContact OE2-NH1 2.7Å; E246-R249 PolarHBondContact OE2-NH1 2.7Å; E246-R249 IonicContact OE2-NH2 3.14Å; E246-R249 PolarHBondContact OE2-NH2 3.38Å; E246-E250 PolarHBondContact O-N 3.23Å |
| 247 | Q | 96.4 | Very high | 94.8 | Very high | 101 Ų | 101 | 97.5 Ų | 97.5 | 47% | 0.472 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -56.5 | -43.5 | 174.3 | -69.6 | 174.2 | -10.3 | 0 | 0 | 112.3 | I243 L244 E250 L251 | I243-Q247 HydrophobicContact CG2-CG 4.39Å; I243-Q247 WeakPolarHBondContact O-CG 3.5Å; I243-Q247 PolarHBondContact O-N 3.32Å; L244-Q247 PolarHBondContact O-N 3.1Å; Q247-E250 PolarHBondContact O-N 2.88Å; Q247-L251 WeakPolarHBondContact O-CB 3.46Å; Q247-L251 VanDerWaalsContact O-CG 3.28Å; Q247-L251 WeakPolarHBondContact O-CG 3.46Å; Q247-L251 PolarHBondContact O-N 3.31Å |
| 248 | I | 96.1 | Very high | 95.1 | Very high | 107 Ų | 107 | 98.4 Ų | 98.4 | 55% | 0.549 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 175.2 | -71.1 | 163.8 | 0 | 0 | 0 | 111.1 | L244 E246 L251 V252 | L244-I248 WeakPolarHBondContact O-CB 3.48Å; L244-I248 WeakPolarHBondContact O-CD1 3.08Å; L244-I248 WeakPolarHBondContact O-CG1 3.43Å; L244-I248 PolarHBondContact O-N 3.27Å; E246-I248 VanDerWaalsContact C-N 3.33Å; E246-I248 PolarHBondContact O-N 3.09Å; I248-L251 PolarHBondContact O-N 3.04Å; I248-V252 HydrophobicContact CG2-CG2 4.44Å; I248-V252 WeakPolarHBondContact O-CB 3.48Å; I248-V252 VanDerWaalsContact O-CG2 3.29Å; I248-V252 WeakPolarHBondContact O-CG2 3.35Å; I248-V252 PolarHBondContact O-N 2.85Å |
| 249 | R | 97.4 | Very high | 95.2 | Very high | 139 Ų | 139 | 96.2 Ų | 96.2 | 53% | 0.525 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.7 | -46.9 | 178.1 | -166.4 | -171.9 | -49 | 136.4 | 28.3 | 111.3 | K245 E246 L251 V252 E253 | K245-R249 PolarHBondContact O-N 2.95Å; E246-R249 VanDerWaalsContact CD-CZ 3.46Å; E246-R249 WeakPolarHBondContact O-CB 3.4Å; E246-R249 PolarHBondContact O-N 3.24Å; E246-R249 IonicContact OE1-CZ 3.08Å; E246-R249 IonicContact OE1-NE 3.53Å; E246-R249 IonicContact OE1-NH1 2.62Å; E246-R249 PolarHBondContact OE1-NH1 3.12Å; E246-R249 IonicContact OE1-NH2 2.71Å; E246-R249 IonicContact OE2-CZ 3.65Å; E246-R249 IonicContact OE2-NH1 2.7Å; E246-R249 PolarHBondContact OE2-NH1 2.7Å; E246-R249 IonicContact OE2-NH2 3.14Å; E246-R249 PolarHBondContact OE2-NH2 3.38Å; R249-L251 VanDerWaalsContact C-N 3.32Å; R249-L251 PolarHBondContact O-N 3.1Å; R249-V252 PolarHBondContact O-N 3.26Å; R249-E253 PolarHBondContact O-N 3.24Å |
| 250 | E | 97.1 | Very high | 95.4 | Very high | 95 Ų | 95 | 99.3 Ų | 99.3 | 44% | 0.444 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.8 | -40 | 175.7 | -89.5 | -157.3 | -121.2 | 0 | 0 | 113 | E246 Q247 K254 | E246-E250 PolarHBondContact O-N 3.23Å; Q247-E250 PolarHBondContact O-N 2.88Å; E250-K254 WeakPolarHBondContact O-CB 3.45Å; E250-K254 VanDerWaalsContact O-CG 3.25Å; E250-K254 WeakPolarHBondContact O-CG 3.48Å; E250-K254 PolarHBondContact O-N 2.94Å; E250-K254 PolarHBondContact O-NZ 3.45Å; E250-K254 IonicContact OE2-NZ 2.78Å; E250-K254 PolarHBondContact OE2-NZ 2.88Å |
| 251 | L | 97.6 | Very high | 95.7 | Very high | 117 Ų | 117 | 98 Ų | 98 | 61% | 0.613 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -71.7 | -38.8 | 177.5 | -73.9 | 169 | 0 | 0 | 0 | 111.9 | Q247 I248 R249 N255 | Q247-L251 WeakPolarHBondContact O-CB 3.46Å; Q247-L251 VanDerWaalsContact O-CG 3.28Å; Q247-L251 WeakPolarHBondContact O-CG 3.46Å; Q247-L251 PolarHBondContact O-N 3.31Å; I248-L251 PolarHBondContact O-N 3.04Å; R249-L251 VanDerWaalsContact C-N 3.32Å; R249-L251 PolarHBondContact O-N 3.1Å; L251-N255 VanDerWaalsContact O-CB 3.28Å; L251-N255 WeakPolarHBondContact O-CB 3.1Å; L251-N255 PolarHBondContact O-N 2.85Å |
| 252 | V | 97.1 | Very high | 95.4 | Very high | 94 Ų | 94 | 98.4 Ų | 98.4 | 57% | 0.57 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.7 | -41.7 | 175 | 167.7 | 0 | 0 | 0 | 0 | 111.4 | I248 R249 N255 S256 | I248-V252 HydrophobicContact CG2-CG2 4.44Å; I248-V252 WeakPolarHBondContact O-CB 3.48Å; I248-V252 VanDerWaalsContact O-CG2 3.29Å; I248-V252 WeakPolarHBondContact O-CG2 3.35Å; I248-V252 PolarHBondContact O-N 2.85Å; R249-V252 PolarHBondContact O-N 3.26Å; V252-N255 PolarHBondContact O-N 3.16Å; V252-S256 WeakPolarHBondContact O-CB 3.42Å; V252-S256 PolarHBondContact O-N 3.28Å |
| 253 | E | 97.1 | Very high | 95.2 | Very high | 135 Ų | 135 | 98.2 Ų | 98.2 | 63% | 0.631 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.5 | -46.4 | 176.8 | -176.2 | 165.2 | -134.5 | 0 | 0 | 112 | R249 N255 S256 Q257 | R249-E253 PolarHBondContact O-N 3.24Å; E253-N255 VanDerWaalsContact C-N 3.34Å; E253-N255 PolarHBondContact O-N 3.14Å; E253-S256 PolarHBondContact O-N 3.48Å; E253-Q257 PolarHBondContact O-N 3.05Å |
| 254 | K | 97.1 | Very high | 95 | Very high | 98 Ų | 98 | 99.6 Ų | 99.6 | 43% | 0.426 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.6 | -41.3 | 174.6 | -72 | 176.8 | -168.9 | 69.6 | 0 | 111.8 | E250 Q257 L258 | E250-K254 WeakPolarHBondContact O-CB 3.45Å; E250-K254 VanDerWaalsContact O-CG 3.25Å; E250-K254 WeakPolarHBondContact O-CG 3.48Å; E250-K254 PolarHBondContact O-N 2.94Å; E250-K254 PolarHBondContact O-NZ 3.45Å; E250-K254 IonicContact OE2-NZ 2.78Å; E250-K254 PolarHBondContact OE2-NZ 2.88Å; K254-Q257 PolarHBondContact O-N 2.99Å; K254-L258 WeakPolarHBondContact O-CG 3.26Å; K254-L258 PolarHBondContact O-N 3.42Å |
| 255 | N | 95.9 | Very high | 94.7 | Very high | 81 Ų | 81 | 101.3 Ų | 101.3 | 43% | 0.433 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.6 | -45.4 | 175.6 | -170.4 | 36.3 | 0 | 0 | 0 | 111.4 | L251 V252 E253 Q257 L258 E259 | L251-N255 VanDerWaalsContact O-CB 3.28Å; L251-N255 WeakPolarHBondContact O-CB 3.1Å; L251-N255 PolarHBondContact O-N 2.85Å; V252-N255 PolarHBondContact O-N 3.16Å; E253-N255 VanDerWaalsContact C-N 3.34Å; E253-N255 PolarHBondContact O-N 3.14Å; N255-Q257 PolarHBondContact O-N 2.96Å; N255-L258 CarbonylContact O-C 3.59Å; N255-L258 PolarHBondContact O-N 3.3Å; N255-L258 VanDerWaalsContact O-N 3.08Å; N255-E259 PolarHBondContact ND2-OE1 3.5Å; N255-E259 WeakPolarHBondContact O-CB 3.47Å; N255-E259 WeakPolarHBondContact O-CG 3.43Å; N255-E259 PolarHBondContact O-N 2.87Å |
| 256 | S | 95.8 | Very high | 94.2 | Very high | 53 Ų | 53 | 101.9 Ų | 101.9 | 37% | 0.371 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.6 | -25.9 | 176.6 | -172.1 | 0 | 0 | 0 | 0 | 113.4 | V252 E253 R260 | V252-S256 WeakPolarHBondContact O-CB 3.42Å; V252-S256 PolarHBondContact O-N 3.28Å; E253-S256 PolarHBondContact O-N 3.48Å; S256-R260 WeakPolarHBondContact O-CG 3.11Å; S256-R260 PolarHBondContact O-N 3.1Å; S256-R260 PolarHBondContact O-NE 3.31Å |
| 257 | Q | 95.3 | Very high | 93.6 | Very high | 94 Ų | 94 | 103.3 Ų | 103.3 | 44% | 0.439 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.7 | -51.6 | 166.5 | 179.2 | 169.4 | -12 | 0 | 0 | 111.7 | E253 K254 N255 E259 R260 E261 | E253-Q257 PolarHBondContact O-N 3.05Å; K254-Q257 PolarHBondContact O-N 2.99Å; N255-Q257 PolarHBondContact O-N 2.96Å; Q257-E259 VanDerWaalsContact C-N 3.31Å; Q257-E259 PolarHBondContact O-N 3.26Å; Q257-R260 WeakPolarHBondContact O-CB 3.39Å; Q257-R260 PolarHBondContact O-N 3.31Å; Q257-R260 VanDerWaalsContact O-N 3.12Å; Q257-E261 HydrophobicContact CG-CG 4.42Å; Q257-E261 WeakPolarHBondContact CG-OE1 3.45Å; Q257-E261 PolarHBondContact NE2-OE1 3.31Å; Q257-E261 WeakPolarHBondContact O-CG 3.36Å; Q257-E261 PolarHBondContact O-N 3.38Å |
| 258 | L | 95.8 | Very high | 92.8 | Very high | 101 Ų | 101 | 104.7 Ų | 104.7 | 53% | 0.529 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.8 | -36.8 | 179.4 | -70.1 | 169.1 | 0 | 0 | 0 | 112.7 | K254 N255 E261 N262 | K254-L258 WeakPolarHBondContact O-CG 3.26Å; K254-L258 PolarHBondContact O-N 3.42Å; N255-L258 CarbonylContact O-C 3.59Å; N255-L258 PolarHBondContact O-N 3.3Å; N255-L258 VanDerWaalsContact O-N 3.08Å; L258-E261 PolarHBondContact O-N 3.36Å; L258-N262 WeakPolarHBondContact O-CB 3.21Å; L258-N262 PolarHBondContact O-N 2.74Å |
| 259 | E | 93.8 | Very high | 92 | Very high | 106 Ų | 106 | 101.1 Ų | 101.1 | 50% | 0.495 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 174.3 | -74.9 | 174.7 | 167.7 | 0 | 0 | 112 | N255 Q257 T263 | N255-E259 PolarHBondContact ND2-OE1 3.5Å; N255-E259 WeakPolarHBondContact O-CB 3.47Å; N255-E259 WeakPolarHBondContact O-CG 3.43Å; N255-E259 PolarHBondContact O-N 2.87Å; Q257-E259 VanDerWaalsContact C-N 3.31Å; Q257-E259 PolarHBondContact O-N 3.26Å; E259-T263 VanDerWaalsContact O-CB 3.29Å; E259-T263 WeakPolarHBondContact O-CB 3.4Å; E259-T263 PolarHBondContact O-N 3.02Å; E259-T263 PolarHBondContact O-OG1 3.2Å |
| 260 | R | 93.9 | Very high | 90.8 | Very high | 154 Ų | 154 | 97 Ų | 97 | 58% | 0.581 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.2 | -45.2 | 175.5 | -74.9 | 178.1 | -70.1 | 142.3 | -4.7 | 111.5 | S256 Q257 T263 L264 | S256-R260 WeakPolarHBondContact O-CG 3.11Å; S256-R260 PolarHBondContact O-N 3.1Å; S256-R260 PolarHBondContact O-NE 3.31Å; Q257-R260 WeakPolarHBondContact O-CB 3.39Å; Q257-R260 PolarHBondContact O-N 3.31Å; Q257-R260 VanDerWaalsContact O-N 3.12Å; R260-T263 PolarHBondContact O-N 2.66Å; R260-L264 WeakPolarHBondContact O-CB 3.18Å; R260-L264 PolarHBondContact O-N 3.16Å |
| 261 | E | 92.4 | Very high | 89.4 | Confident | 83 Ų | 83 | 97.3 Ų | 97.3 | 39% | 0.388 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.1 | -43 | 177.1 | -71.3 | 173 | -172.4 | 0 | 0 | 111.6 | Q257 L258 T263 L264 L265 | Q257-E261 HydrophobicContact CG-CG 4.42Å; Q257-E261 WeakPolarHBondContact CG-OE1 3.45Å; Q257-E261 PolarHBondContact NE2-OE1 3.31Å; Q257-E261 WeakPolarHBondContact O-CG 3.36Å; Q257-E261 PolarHBondContact O-N 3.38Å; L258-E261 PolarHBondContact O-N 3.36Å; E261-T263 PolarHBondContact O-N 3.21Å; E261-L264 PolarHBondContact O-N 3.02Å; E261-L265 WeakPolarHBondContact O-CB 3.48Å; E261-L265 VanDerWaalsContact O-CG 3.27Å; E261-L265 WeakPolarHBondContact O-CG 3.4Å; E261-L265 PolarHBondContact O-N 3.44Å |
| 262 | N | 89.9 | Confident | 87.9 | Confident | 76 Ų | 76 | 97.7 Ų | 97.7 | 41% | 0.406 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 176.3 | -168.3 | -90.6 | 0 | 0 | 0 | 112 | L258 K266 | L258-N262 WeakPolarHBondContact O-CB 3.21Å; L258-N262 PolarHBondContact O-N 2.74Å; N262-K266 WeakPolarHBondContact O-CB 3.19Å; N262-K266 VanDerWaalsContact O-CG 3.31Å; N262-K266 WeakPolarHBondContact O-CG 3.32Å; N262-K266 PolarHBondContact O-N 2.9Å; N262-K266 WeakPolarHBondContact OD1-CD 3.34Å; N262-K266 WeakPolarHBondContact OD1-CE 3.4Å; N262-K266 PolarHBondContact OD1-NZ 3.47Å |
| 263 | T | 89.7 | Confident | 86.6 | Confident | 83 Ų | 83 | 98.1 Ų | 98.1 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.8 | -41.6 | 174.6 | -58.1 | 0 | 0 | 0 | 0 | 111.5 | E259 R260 E261 K266 T267 | E259-T263 VanDerWaalsContact O-CB 3.29Å; E259-T263 WeakPolarHBondContact O-CB 3.4Å; E259-T263 PolarHBondContact O-N 3.02Å; E259-T263 PolarHBondContact O-OG1 3.2Å; R260-T263 PolarHBondContact O-N 2.66Å; E261-T263 PolarHBondContact O-N 3.21Å; T263-K266 PolarHBondContact O-N 3.12Å; T263-T267 WeakPolarHBondContact O-CB 3.33Å; T263-T267 PolarHBondContact O-N 2.89Å; T263-T267 PolarHBondContact O-OG1 2.96Å |
| 264 | L | 90.7 | Very high | 85.1 | Confident | 102 Ų | 102 | 94.5 Ų | 94.5 | 53% | 0.534 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.7 | -46.1 | 175.4 | -178.5 | 63.6 | 0 | 0 | 0 | 111.3 | R260 E261 K266 T267 L268 | R260-L264 WeakPolarHBondContact O-CB 3.18Å; R260-L264 PolarHBondContact O-N 3.16Å; E261-L264 PolarHBondContact O-N 3.02Å; L264-K266 PolarHBondContact O-N 3.43Å; L264-T267 WeakPolarHBondContact O-CB 3.41Å; L264-T267 PolarHBondContact O-N 2.89Å; L264-L268 HydrophobicContact CD1-CD1 3.84Å; L264-L268 HydrophobicContact CD1-CG 4.15Å; L264-L268 HydrophobicContact CG-CD1 3.86Å; L264-L268 HydrophobicContact CG-CG 4.46Å; L264-L268 WeakPolarHBondContact O-CG 3.37Å; L264-L268 PolarHBondContact O-N 3.2Å |
| 265 | L | 88.5 | Confident | 83.8 | Confident | 119 Ų | 119 | 96.1 Ų | 96.1 | 62% | 0.623 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.2 | -44 | 175.4 | -72.8 | 167.5 | 0 | 0 | 0 | 112 | E261 T267 L268 A269 | E261-L265 WeakPolarHBondContact O-CB 3.48Å; E261-L265 VanDerWaalsContact O-CG 3.27Å; E261-L265 WeakPolarHBondContact O-CG 3.4Å; E261-L265 PolarHBondContact O-N 3.44Å; L265-T267 PolarHBondContact O-N 3.21Å; L265-L268 PolarHBondContact O-N 3.2Å; L265-A269 WeakPolarHBondContact O-CB 3.41Å; L265-A269 PolarHBondContact O-N 2.87Å |
| 266 | K | 84.7 | Confident | 82.5 | Confident | 123 Ų | 123 | 98.4 Ų | 98.4 | 54% | 0.535 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.8 | -29.2 | 173 | -79.2 | 167 | 171.5 | 160.7 | 0 | 113.5 | N262 T263 L264 L274 | N262-K266 WeakPolarHBondContact O-CB 3.19Å; N262-K266 VanDerWaalsContact O-CG 3.31Å; N262-K266 WeakPolarHBondContact O-CG 3.32Å; N262-K266 PolarHBondContact O-N 2.9Å; N262-K266 WeakPolarHBondContact OD1-CD 3.34Å; N262-K266 WeakPolarHBondContact OD1-CE 3.4Å; N262-K266 PolarHBondContact OD1-NZ 3.47Å; T263-K266 PolarHBondContact O-N 3.12Å; L264-K266 PolarHBondContact O-N 3.43Å; K266-L274 HydrophobicContact CG-CD1 4.26Å |
| 267 | T | 82.5 | Confident | 80.9 | Confident | 108 Ų | 108 | 102.5 Ų | 102.5 | 66% | 0.663 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -83.5 | -27.9 | 179.1 | -52.2 | 0 | 0 | 0 | 0 | 112.5 | T263 L264 L265 | T263-T267 WeakPolarHBondContact O-CB 3.33Å; T263-T267 PolarHBondContact O-N 2.89Å; T263-T267 PolarHBondContact O-OG1 2.96Å; L264-T267 WeakPolarHBondContact O-CB 3.41Å; L264-T267 PolarHBondContact O-N 2.89Å; L265-T267 PolarHBondContact O-N 3.21Å |
| 268 | L | 81.6 | Confident | 79.6 | Confident | 130 Ų | 130 | 103.8 Ų | 103.8 | 68% | 0.681 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -95.8 | -15.4 | -178.4 | -65.4 | 176.4 | 0 | 0 | 0 | 114.1 | L264 L265 | L264-L268 HydrophobicContact CD1-CD1 3.84Å; L264-L268 HydrophobicContact CD1-CG 4.15Å; L264-L268 HydrophobicContact CG-CD1 3.86Å; L264-L268 HydrophobicContact CG-CG 4.46Å; L264-L268 WeakPolarHBondContact O-CG 3.37Å; L264-L268 PolarHBondContact O-N 3.2Å; L265-L268 PolarHBondContact O-N 3.2Å |
| 269 | A | 79.1 | Confident | 78.3 | Confident | 33 Ų | 33 | 103.3 Ų | 103.3 | 27% | 0.273 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -71.7 | 140.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L265 L274 | L265-A269 WeakPolarHBondContact O-CB 3.41Å; L265-A269 PolarHBondContact O-N 2.87Å; A269-L274 HydrophobicContact CB-CD1 4.46Å |
| 270 | S | 70.6 | Confident | 76.6 | Confident | 53 Ų | 53 | 103.6 Ų | 103.6 | 37% | 0.371 | 54% | 0.54 | S | S | . | . | trans | -64.7 | 144.6 | 168.2 | 177.6 | 0 | 0 | 0 | 0 | 110.4 | E272 Q273 L274 | S270-E272 PolarHBondContact O-N 2.97Å; S270-Q273 WeakPolarHBondContact O-CA 3.27Å; S270-Q273 WeakPolarHBondContact O-CB 3.45Å; S270-Q273 PolarHBondContact O-N 3.28Å; S270-L274 PolarHBondContact O-N 3.16Å | ||
| 271 | P | 67.9 | Low | 74.9 | Confident | 100 Ų | 100 | 102.7 Ų | 102.7 | 65% | 0.649 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -50.2 | -43.3 | 175.9 | -29 | 35.8 | 0 | 0 | 0 | 113.3 | Q273 L274 E275 | P271-Q273 PolarHBondContact O-N 3.13Å; P271-L274 PolarHBondContact O-N 3.17Å; P271-L274 VanDerWaalsContact O-N 3.09Å; P271-E275 PolarHBondContact O-N 3.12Å |
| 272 | E | 67.1 | Low | 72.7 | Confident | 125 Ų | 125 | 103 Ų | 103 | 58% | 0.584 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.7 | -24.5 | 177.5 | -60.8 | -173.8 | 175.8 | 0 | 0 | 114.1 | S270 K276 | S270-E272 PolarHBondContact O-N 2.97Å; E272-K276 WeakPolarHBondContact O-CD 3.27Å; E272-K276 WeakPolarHBondContact O-CE 3.3Å; E272-K276 VanDerWaalsContact O-CG 3.23Å; E272-K276 WeakPolarHBondContact O-CG 3.42Å; E272-K276 IonicContact OE2-NZ 3.21Å |
| 273 | Q | 70.2 | Confident | 70.6 | Confident | 104 Ų | 104 | 104.5 Ų | 104.5 | 49% | 0.486 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -82.3 | -39.3 | 174.2 | -64.9 | 173.9 | -57.3 | 0 | 0 | 110 | S270 P271 K276 F277 | S270-Q273 WeakPolarHBondContact O-CA 3.27Å; S270-Q273 WeakPolarHBondContact O-CB 3.45Å; S270-Q273 PolarHBondContact O-N 3.28Å; P271-Q273 PolarHBondContact O-N 3.13Å; Q273-K276 PolarHBondContact O-N 3.31Å; Q273-F277 VanDerWaalsContact O-CD2 3.25Å; Q273-F277 WeakPolarHBondContact O-CD2 3.39Å; Q273-F277 PolarHBondContact O-N 2.85Å |
| 274 | L | 65.8 | Low | 68.5 | Low | 59 Ų | 59 | 109.2 Ų | 109.2 | 31% | 0.309 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68 | -34.6 | -179.9 | -162 | 71.9 | 0 | 0 | 0 | 112.4 | K266 A269 S270 P271 Q278 | K266-L274 HydrophobicContact CG-CD1 4.26Å; A269-L274 HydrophobicContact CB-CD1 4.46Å; S270-L274 PolarHBondContact O-N 3.16Å; P271-L274 PolarHBondContact O-N 3.17Å; P271-L274 VanDerWaalsContact O-N 3.09Å; L274-Q278 WeakPolarHBondContact O-CG 3.44Å; L274-Q278 PolarHBondContact O-N 3.27Å; L274-Q278 PolarHBondContact O-NE2 3.3Å; L274-Q278 VanDerWaalsContact O-NE2 3.07Å |
| 275 | E | 68.8 | Low | 65.9 | Low | 131 Ų | 131 | 112.4 Ų | 112.4 | 61% | 0.612 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66 | -44 | 169.8 | -74.9 | -173.8 | 138.2 | 0 | 0 | 112.1 | P271 F277 Q278 S279 | P271-E275 PolarHBondContact O-N 3.12Å; E275-F277 VanDerWaalsContact C-N 3.35Å; E275-F277 PolarHBondContact O-N 2.92Å; E275-Q278 PolarHBondContact O-N 2.88Å; E275-S279 WeakPolarHBondContact O-CB 3.34Å; E275-S279 PolarHBondContact O-N 3.31Å; E275-S279 PolarHBondContact O-OG 2.87Å |
| 276 | K | 68 | Low | 63.7 | Low | 129 Ų | 129 | 112.3 Ų | 112.3 | 56% | 0.561 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62.2 | -41.7 | 177.1 | -72.2 | 166.1 | -167 | 151.9 | 0 | 111.3 | E272 Q273 S279 C280 | E272-K276 WeakPolarHBondContact O-CD 3.27Å; E272-K276 WeakPolarHBondContact O-CE 3.3Å; E272-K276 VanDerWaalsContact O-CG 3.23Å; E272-K276 WeakPolarHBondContact O-CG 3.42Å; E272-K276 IonicContact OE2-NZ 3.21Å; Q273-K276 PolarHBondContact O-N 3.31Å; K276-S279 PolarHBondContact O-N 3.25Å; K276-C280 PolarHBondContact O-N 2.76Å; K276-C280 PolarHBondContact O-SG 2.99Å; K276-C280 VanDerWaalsContact O-SG 3.35Å |
| 277 | F | 62.5 | Low | 61.7 | Low | 140 Ų | 140 | 110.2 Ų | 110.2 | 61% | 0.614 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.3 | -42.7 | 173.2 | -84.5 | -65.4 | 0 | 0 | 0 | 112.9 | Q273 E275 C280 L281 | Q273-F277 VanDerWaalsContact O-CD2 3.25Å; Q273-F277 WeakPolarHBondContact O-CD2 3.39Å; Q273-F277 PolarHBondContact O-N 2.85Å; E275-F277 VanDerWaalsContact C-N 3.35Å; E275-F277 PolarHBondContact O-N 2.92Å; F277-C280 PolarHBondContact O-N 2.82Å; F277-L281 WeakPolarHBondContact O-CB 3.4Å; F277-L281 VanDerWaalsContact O-CG 3.25Å; F277-L281 WeakPolarHBondContact O-CG 3.38Å; F277-L281 PolarHBondContact O-N 3.24Å |
| 278 | Q | 67.8 | Low | 59.6 | Low | 121 Ų | 121 | 110.6 Ų | 110.6 | 57% | 0.565 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.1 | -41.3 | 176.4 | -77.3 | 171.2 | 91.2 | 0 | 0 | 112.1 | L274 E275 C280 L281 S282 | L274-Q278 WeakPolarHBondContact O-CG 3.44Å; L274-Q278 PolarHBondContact O-N 3.27Å; L274-Q278 PolarHBondContact O-NE2 3.3Å; L274-Q278 VanDerWaalsContact O-NE2 3.07Å; E275-Q278 PolarHBondContact O-N 2.88Å; Q278-C280 VanDerWaalsContact C-N 3.28Å; Q278-C280 PolarHBondContact O-N 3.37Å; Q278-L281 PolarHBondContact O-N 2.99Å; Q278-S282 PolarHBondContact O-N 2.85Å; Q278-S282 VanDerWaalsContact O-N 3.14Å |
| 279 | S | 68.2 | Low | 57.5 | Low | 90 Ų | 90 | 113.4 Ų | 113.4 | 63% | 0.629 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -62.8 | -33.2 | 176.5 | -54.1 | 0 | 0 | 0 | 0 | 112.6 | E275 K276 | E275-S279 WeakPolarHBondContact O-CB 3.34Å; E275-S279 PolarHBondContact O-N 3.31Å; E275-S279 PolarHBondContact O-OG 2.87Å; K276-S279 PolarHBondContact O-N 3.25Å |
| 280 | C | 58.1 | Low | 55.4 | Low | 112 Ų | 112 | 116.4 Ų | 116.4 | 76% | 0.757 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -82.7 | -14.5 | 173.7 | -66.1 | 0 | 0 | 0 | 0 | 114.3 | K276 F277 Q278 | K276-C280 PolarHBondContact O-N 2.76Å; K276-C280 PolarHBondContact O-SG 2.99Å; K276-C280 VanDerWaalsContact O-SG 3.35Å; F277-C280 PolarHBondContact O-N 2.82Å; Q278-C280 VanDerWaalsContact C-N 3.28Å; Q278-C280 PolarHBondContact O-N 3.37Å |
| 281 | L | 58.8 | Low | 54 | Low | 136 Ų | 136 | 119.7 Ų | 119.7 | 71% | 0.712 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -95.3 | -6.5 | 177.7 | -75.2 | 171.5 | 0 | 0 | 0 | 113.4 | F277 Q278 P283 | F277-L281 WeakPolarHBondContact O-CB 3.4Å; F277-L281 VanDerWaalsContact O-CG 3.25Å; F277-L281 WeakPolarHBondContact O-CG 3.38Å; F277-L281 PolarHBondContact O-N 3.24Å; Q278-L281 PolarHBondContact O-N 2.99Å; L281-P283 WeakPolarHBondContact O-CD 3.47Å |
| 282 | S | 45.7 | Very low | 52.6 | Low | 88 Ų | 88 | 123.6 Ų | 123.6 | 62% | 0.615 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -94.5 | 92.1 | 167.1 | -168.7 | 0 | 0 | 0 | 0 | 109 | Q278 E284 | Q278-S282 PolarHBondContact O-N 2.85Å; Q278-S282 VanDerWaalsContact O-N 3.14Å; S282-E284 PolarHBondContact O-N 3.02Å |
| 283 | P | 46.6 | Very low | 51.2 | Low | 109 Ų | 109 | 123.9 Ų | 123.9 | 71% | 0.708 | 68% | 0.684 | S | S | * | * | trans | -57.9 | 137.6 | 161 | 28.4 | -33.9 | 0 | 0 | 0 | 107.9 | L281 E285 | L281-P283 WeakPolarHBondContact O-CD 3.47Å; P283-E285 PolarHBondContact O-N 3.01Å | ||
| 284 | E | 45 | Very low | 50 | Low | 181 Ų | 181 | 124.5 Ų | 124.5 | 85% | 0.846 | 70% | 0.697 | S | S | * | * | trans | -62.7 | 107.8 | 178.2 | -173.7 | 162.1 | 80.8 | 0 | 0 | 109 | S282 P286 | S282-E284 PolarHBondContact O-N 3.02Å; E284-P286 WeakPolarHBondContact O-CD 3.23Å | ||
| 285 | E | 36.9 | Very low | 48.9 | Very low | 170 Ų | 170 | 131 Ų | 131 | 79% | 0.794 | 73% | 0.726 | S | S | * | * | trans | -67 | 112 | 174.3 | -174.8 | -179.6 | 138.9 | 0 | 0 | 107.7 | P283 A287 | P283-E285 PolarHBondContact O-N 3.01Å; E285-A287 PolarHBondContact O-N 3.05Å; E285-A287 VanDerWaalsContact O-N 3.09Å | ||
| 286 | P | 42 | Very low | 47.6 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | trans | -67.2 | 116.9 | -179.5 | -16.7 | 32.2 | 0 | 0 | 0 | 107.8 | E284 | E284-P286 WeakPolarHBondContact O-CD 3.23Š| ||
| 287 | A | 42 | Very low | 46.6 | Very low | 79 Ų | 79 | 129.5 Ų | 129.5 | 65% | 0.653 | 75% | 0.748 | S | S | * | * | trans | -53.8 | 139.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | E285 E289 | E285-A287 PolarHBondContact O-N 3.05Å; E285-A287 VanDerWaalsContact O-N 3.09Å; A287-E289 PolarHBondContact O-N 2.82Å | ||
| 288 | P | 38.8 | Very low | 45.4 | Very low | 117 Ų | 117 | 126.9 Ų | 126.9 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | trans | -68 | 98.8 | -177.3 | 27 | -34.3 | 0 | 0 | 0 | 110.3 | S290 | P288-S290 PolarHBondContact O-N 3.36Š| ||
| 289 | E | 38.1 | Very low | 43.9 | Very low | 189 Ų | 189 | 124.8 Ų | 124.8 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | trans | -59.5 | 107.4 | 168.3 | -72 | -163 | 124 | 0 | 0 | 109 | A287 P291 | A287-E289 PolarHBondContact O-N 2.82Å; E289-P291 VanDerWaalsContact O-CD 3.31Å; E289-P291 WeakPolarHBondContact O-CD 3.32Å | ||
| 290 | S | 35.5 | Very low | 42.9 | Very low | 95 Ų | 95 | 126.3 Ų | 126.3 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | trans | -63.6 | 121.3 | 175.9 | 53.9 | 0 | 0 | 0 | 0 | 109.5 | P288 Q292 | P288-S290 PolarHBondContact O-N 3.36Å; S290-Q292 PolarHBondContact O-N 2.93Å | ||
| 291 | P | 40.2 | Very low | 42.2 | Very low | 122 Ų | 122 | 124.9 Ų | 124.9 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | trans | -61.1 | 109 | 178.6 | -24.9 | 35.6 | 0 | 0 | 0 | 110.9 | E289 V293 | E289-P291 VanDerWaalsContact O-CD 3.31Å; E289-P291 WeakPolarHBondContact O-CD 3.32Å; P291-V293 PolarHBondContact O-N 3.07Å; P291-V293 VanDerWaalsContact O-N 3.07Å | ||
| 292 | Q | 39 | Very low | 41.6 | Very low | 182 Ų | 182 | 128.7 Ų | 128.7 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | -68.5 | 105.4 | 173.7 | -71.1 | -174 | -15.5 | 0 | 0 | 108.9 | S290 P294 | S290-Q292 PolarHBondContact O-N 2.93Å; Q292-P294 WeakPolarHBondContact O-CD 3.36Å | ||
| 293 | V | 37.2 | Very low | 41.4 | Very low | 131 Ų | 131 | 130.7 Ų | 130.7 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 121.7 | 170.5 | -176.8 | 0 | 0 | 0 | 0 | 108.2 | P291 E295 | P291-V293 PolarHBondContact O-N 3.07Å; P291-V293 VanDerWaalsContact O-N 3.07Å; V293-E295 PolarHBondContact O-N 2.91Å |
| 294 | P | 45.8 | Very low | 41.1 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 127.2 | 175.6 | -17.7 | 32.2 | 0 | 0 | 0 | 110.6 | Q292 | Q292-P294 WeakPolarHBondContact O-CD 3.36Š|
| 295 | E | 41.6 | Very low | 40.9 | Very low | 197 Ų | 197 | 129.1 Ų | 129.1 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 134.8 | 168.7 | -80.9 | -159.8 | 98.2 | 0 | 0 | 111.1 | V293 | V293-E295 PolarHBondContact O-N 2.91Š|
| 296 | A | 41 | Very low | 41.1 | Very low | 92 Ų | 92 | 126.7 Ų | 126.7 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | trans | -126.7 | 135.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 297 | P | 46.7 | Very low | 41.1 | Very low | 135 Ų | 135 | 127.4 Ų | 127.4 | 88% | 0.877 | 83% | 0.827 | S | S | * | * | trans | -96.4 | 148.2 | -156.7 | 35.3 | -37.1 | 0 | 0 | 0 | 115.8 | ||||
| 298 | G | 39.3 | Very low | 41 | Very low | 85 Ų | 85 | 130.6 Ų | 130.6 | 88% | 0.876 | 84% | 0.838 | S | S | * | * | trans | 98 | 146.8 | 149.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 299 | G | 35.4 | Very low | 41.2 | Very low | 77 Ų | 77 | 131.6 Ų | 131.6 | 79% | 0.794 | 84% | 0.844 | S | S | * | * | trans | 132.2 | 57.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 300 | S | 47.7 | Very low | 41.4 | Very low | 122 Ų | 122 | 127.2 Ų | 127.2 | 85% | 0.853 | 84% | 0.841 | S | S | * | * | trans | 21.2 | 134.4 | 132.4 | -161.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 301 | A | 42.5 | Very low | 41.9 | Very low | 83 Ų | 83 | 129.8 Ų | 129.8 | 69% | 0.686 | 86% | 0.856 | S | S | * | * | trans | -67.9 | 153.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 302 | V | 46.6 | Very low | 42.1 | Very low | 215 Ų | 215 | 130.5 Ų | 130.5 | 100% | 1.303 | 86% | 0.861 | S | S | * | * | -135.1 | 0 | 98.9 | -179 | 0 | 0 | 0 | 0 | 108.3 |
Retrieved 302 of 302 residues in 140.2 ms
(Link to these results)