| 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 | 40.7 | Very low | 46.1 | Very low | 249 Ų | 249 | 129.6 Ų | 129.6 | 100% | 1.227 | 79% | 0.792 | S | S | * | * | 0 | 104 | 0 | -71.5 | -174.9 | -179.7 | 0 | 0 | 108.6 | |||||
| 2 | A | 43.5 | Very low | 47.1 | Very low | 92 Ų | 92 | 129.7 Ų | 129.7 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | -165.8 | 101 | 158 | 0 | 0 | 0 | 0 | 0 | 104.8 | S4 | A2-S4 PolarHBondContact O-N 2.82Å; A2-S4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | A | 44.3 | Very low | 48.5 | Very low | 99 Ų | 99 | 129.7 Ų | 129.7 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -64 | 110.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 108 | Q5 | A3-Q5 VanDerWaalsContact C-N 3.33Å; A3-Q5 PolarHBondContact O-N 3.01Å | ||
| 4 | S | 47.2 | Very low | 50.3 | Low | 117 Ų | 117 | 125.5 Ų | 125.5 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | -62.1 | 95.5 | 170.3 | -56.6 | 0 | 0 | 0 | 0 | 108.1 | A2 S6 | A2-S4 PolarHBondContact O-N 2.82Å; A2-S4 VanDerWaalsContact O-N 3.09Å; S4-S6 PolarHBondContact O-N 2.93Å | ||
| 5 | Q | 46.5 | Very low | 52.6 | Low | 174 Ų | 174 | 121.2 Ų | 121.2 | 81% | 0.813 | 73% | 0.726 | S | S | * | * | trans | -63.6 | 106.1 | 163.4 | -72.8 | -178.4 | 5.4 | 0 | 0 | 106.1 | A3 T7 | A3-Q5 VanDerWaalsContact C-N 3.33Å; A3-Q5 PolarHBondContact O-N 3.01Å; Q5-T7 PolarHBondContact O-N 3.45Å | ||
| 6 | S | 48.3 | Very low | 54.8 | Low | 115 Ų | 115 | 120.3 Ų | 120.3 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | trans | -57.9 | 94.7 | 162.2 | -78.8 | 0 | 0 | 0 | 0 | 106.6 | S4 E8 | S4-S6 PolarHBondContact O-N 2.93Å; S6-E8 PolarHBondContact O-N 3.45Å | ||
| 7 | T | 46.3 | Very low | 56.8 | Low | 115 Ų | 115 | 118.7 Ų | 118.7 | 71% | 0.706 | 70% | 0.703 | S | S | * | * | trans | -68.3 | 82.9 | 154.8 | 48.6 | 0 | 0 | 0 | 0 | 105.4 | Q5 T9 | Q5-T7 PolarHBondContact O-N 3.45Å; T7-T9 PolarHBondContact O-N 2.95Å | ||
| 8 | E | 42.2 | Very low | 58.7 | Low | 169 Ų | 169 | 116.4 Ų | 116.4 | 79% | 0.79 | 68% | 0.684 | S | S | * | * | trans | -56.2 | 81.9 | 156.3 | -158.7 | 171.2 | -153 | 0 | 0 | 105.2 | S6 V10 | S6-E8 PolarHBondContact O-N 3.45Å; E8-V10 HydrophobicContact CG-CG2 4.29Å; E8-V10 PolarHBondContact O-N 3.33Å | ||
| 9 | T | 49.1 | Very low | 59.8 | Low | 121 Ų | 121 | 116.3 Ų | 116.3 | 74% | 0.742 | 67% | 0.671 | S | S | * | * | trans | -65.8 | 87.4 | 164 | 37.6 | 0 | 0 | 0 | 0 | 104.3 | T7 A11 | T7-T9 PolarHBondContact O-N 2.95Å; T9-A11 PolarHBondContact O-N 3.19Å | ||
| 10 | V | 46.1 | Very low | 61.3 | Low | 98 Ų | 98 | 116.6 Ų | 116.6 | 59% | 0.594 | 66% | 0.66 | S | S | * | * | trans | -58.7 | 80.9 | 164.1 | -177.9 | 0 | 0 | 0 | 0 | 105.4 | E8 N12 | E8-V10 HydrophobicContact CG-CG2 4.29Å; E8-V10 PolarHBondContact O-N 3.33Å; V10-N12 PolarHBondContact O-N 3.18Å | ||
| 11 | A | 53.1 | Low | 62.7 | Low | 77 Ų | 77 | 116.2 Ų | 116.2 | 64% | 0.636 | 65% | 0.649 | S | S | * | * | trans | -59.6 | 94.4 | 160.2 | 0 | 0 | 0 | 0 | 0 | 103.1 | T9 D13 | T9-A11 PolarHBondContact O-N 3.19Å; A11-D13 PolarHBondContact O-N 3.02Å | ||
| 12 | N | 57.7 | Low | 64.9 | Low | 130 Ų | 130 | 107.4 Ų | 107.4 | 70% | 0.695 | 60% | 0.604 | S | S | * | * | trans | -57.2 | 86.9 | 173.7 | -80.8 | -40.6 | 0 | 0 | 0 | 106.8 | V10 L14 | V10-N12 PolarHBondContact O-N 3.18Å; N12-L14 PolarHBondContact O-N 3.03Å | ||
| 13 | D | 65.2 | Low | 67 | Low | 130 Ų | 130 | 110.9 Ų | 110.9 | 70% | 0.695 | 60% | 0.598 | S | S | * | * | trans | -67.7 | 90.8 | 173.8 | -103.3 | -33.7 | 0 | 0 | 0 | 105.9 | A11 S15 R19 | A11-D13 PolarHBondContact O-N 3.02Å; D13-S15 PolarHBondContact O-N 3.39Å; D13-S15 VanDerWaalsContact O-N 3.16Å; D13-R19 IonicContact OD1-NH2 3.84Å; D13-R19 PolarHBondContact OD1-NH2 3.46Å | ||
| 14 | L | 74.7 | Confident | 69.3 | Low | 71 Ų | 71 | 114 Ų | 114 | 37% | 0.372 | 59% | 0.588 | S | S | . | * | trans | -49.7 | 127.7 | 173 | -64.6 | 173.7 | 0 | 0 | 0 | 107.3 | N12 E18 R19 | N12-L14 PolarHBondContact O-N 3.03Å; L14-E18 HydrophobicContact CB-CB 4.14Å; L14-E18 HydrophobicContact CB-CG 4.23Å; L14-E18 HydrophobicContact CD2-CG 3.79Å; L14-E18 WeakPolarHBondContact CD2-OE2 3.43Å; L14-E18 HydrophobicContact CG-CG 4.43Å; L14-R19 HydrophobicContact CB-CG 3.75Å; L14-R19 PolarHBondContact O-NE 3.3Å | ||
| 15 | S | 83.6 | Confident | 71.3 | Confident | 61 Ų | 61 | 115.2 Ų | 115.2 | 43% | 0.427 | 58% | 0.575 | S | S | . | * | trans | -50.9 | 151.7 | 173.3 | 66.8 | 0 | 0 | 0 | 0 | 109.9 | D13 D17 E18 R19 | D13-S15 PolarHBondContact O-N 3.39Å; D13-S15 VanDerWaalsContact O-N 3.16Å; S15-D17 PolarHBondContact O-N 3.37Å; S15-D17 VanDerWaalsContact O-N 3.1Å; S15-E18 WeakPolarHBondContact O-CA 3.48Å; S15-E18 WeakPolarHBondContact O-CB 3.42Å; S15-E18 PolarHBondContact O-N 3.23Å; S15-E18 VanDerWaalsContact OG-CB 3.3Å; S15-E18 WeakPolarHBondContact OG-CB 2.97Å; S15-E18 PolarHBondContact OG-N 3.38Å; S15-R19 PolarHBondContact O-N 3.21Å | ||
| 16 | L | 87.7 | Confident | 73.4 | Confident | 107 Ų | 107 | 111.9 Ų | 111.9 | 56% | 0.56 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -53.1 | -36.8 | -178.6 | 179 | 129.9 | 0 | 0 | 0 | 112.4 | R20 | L16-R20 VanDerWaalsContact O-CG 3.32Å; L16-R20 WeakPolarHBondContact O-CG 3.27Å; L16-R20 PolarHBondContact O-N 2.98Å |
| 17 | D | 89.9 | Confident | 75.4 | Confident | 93 Ų | 93 | 113.8 Ų | 113.8 | 50% | 0.497 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -68.7 | -35 | 175.1 | -80.6 | -17.2 | 0 | 0 | 0 | 113.3 | S15 R20 R21 | S15-D17 PolarHBondContact O-N 3.37Å; S15-D17 VanDerWaalsContact O-N 3.1Å; D17-R20 PolarHBondContact O-N 3.06Å; D17-R20 IonicContact OD1-NH1 2.92Å; D17-R21 WeakPolarHBondContact O-CB 3.33Å; D17-R21 PolarHBondContact O-N 3.22Å |
| 18 | E | 90 | Very high | 77.5 | Confident | 77 Ų | 77 | 113 Ų | 113 | 36% | 0.36 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -71.7 | -39.9 | 176 | -166.5 | 159.1 | -137.5 | 0 | 0 | 112 | L14 S15 R20 R21 E22 | L14-E18 HydrophobicContact CB-CB 4.14Å; L14-E18 HydrophobicContact CB-CG 4.23Å; L14-E18 HydrophobicContact CD2-CG 3.79Å; L14-E18 WeakPolarHBondContact CD2-OE2 3.43Å; L14-E18 HydrophobicContact CG-CG 4.43Å; S15-E18 WeakPolarHBondContact O-CA 3.48Å; S15-E18 WeakPolarHBondContact O-CB 3.42Å; S15-E18 PolarHBondContact O-N 3.23Å; S15-E18 VanDerWaalsContact OG-CB 3.3Å; S15-E18 WeakPolarHBondContact OG-CB 2.97Å; S15-E18 PolarHBondContact OG-N 3.38Å; E18-R20 VanDerWaalsContact C-N 3.27Å; E18-R20 PolarHBondContact O-N 3.15Å; E18-R21 PolarHBondContact O-N 2.98Å; E18-R21 IonicContact OE1-NH1 3.18Å; E18-E22 WeakPolarHBondContact O-CB 3.27Å; E18-E22 PolarHBondContact O-N 3.16Å |
| 19 | R | 80.7 | Confident | 79.6 | Confident | 114 Ų | 114 | 111 Ų | 111 | 43% | 0.43 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.1 | -36.1 | 169.3 | -64.3 | -175.6 | -156.8 | -172.1 | -2 | 112.2 | D13 L14 S15 R23 | D13-R19 IonicContact OD1-NH2 3.84Å; D13-R19 PolarHBondContact OD1-NH2 3.46Å; L14-R19 HydrophobicContact CB-CG 3.75Å; L14-R19 PolarHBondContact O-NE 3.3Å; S15-R19 PolarHBondContact O-N 3.21Å; R19-R23 WeakPolarHBondContact O-CB 3.24Å; R19-R23 WeakPolarHBondContact O-CG 3.47Å; R19-R23 PolarHBondContact O-N 3.01Å; R19-R23 PolarHBondContact O-NE 3.2Å |
| 20 | R | 88.8 | Confident | 81.3 | Confident | 123 Ų | 123 | 110.9 Ų | 110.9 | 46% | 0.464 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68 | -44.6 | 174.7 | -77.1 | 172.1 | 173.4 | 175.3 | -2.5 | 111.1 | L16 D17 E18 R23 R24 | L16-R20 VanDerWaalsContact O-CG 3.32Å; L16-R20 WeakPolarHBondContact O-CG 3.27Å; L16-R20 PolarHBondContact O-N 2.98Å; D17-R20 PolarHBondContact O-N 3.06Å; D17-R20 IonicContact OD1-NH1 2.92Å; E18-R20 VanDerWaalsContact C-N 3.27Å; E18-R20 PolarHBondContact O-N 3.15Å; R20-R23 PolarHBondContact O-N 3.47Å; R20-R24 WeakPolarHBondContact O-CG 3.42Å; R20-R24 PolarHBondContact O-N 3.13Å |
| 21 | R | 91.5 | Very high | 83.4 | Confident | 109 Ų | 109 | 109 Ų | 109 | 41% | 0.411 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 174.4 | -83.4 | -177 | -97.8 | 118.4 | -5.6 | 111.4 | D17 E18 R24 R25 | D17-R21 WeakPolarHBondContact O-CB 3.33Å; D17-R21 PolarHBondContact O-N 3.22Å; E18-R21 PolarHBondContact O-N 2.98Å; E18-R21 IonicContact OE1-NH1 3.18Å; R21-R24 PolarHBondContact O-N 3.09Å; R21-R25 WeakPolarHBondContact O-CG 3.41Å; R21-R25 PolarHBondContact O-N 2.91Å |
| 22 | E | 87.4 | Confident | 85.1 | Confident | 64 Ų | 64 | 109.1 Ų | 109.1 | 30% | 0.299 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68 | -40.4 | -179.7 | -165.3 | 54.6 | -146.1 | 0 | 0 | 112 | E18 R24 R25 L26 R29 | E18-E22 WeakPolarHBondContact O-CB 3.27Å; E18-E22 PolarHBondContact O-N 3.16Å; E22-R24 VanDerWaalsContact C-N 3.31Å; E22-R24 PolarHBondContact O-N 3.08Å; E22-R25 PolarHBondContact O-N 3.47Å; E22-R25 WeakPolarHBondContact OE2-CD 3.36Å; E22-R25 IonicContact OE2-NH1 2.76Å; E22-R25 PolarHBondContact OE2-NH1 2.94Å; E22-L26 WeakPolarHBondContact O-CB 3.22Å; E22-L26 PolarHBondContact O-N 3.45Å; E22-R29 IonicContact OE1-CZ 2.73Å; E22-R29 IonicContact OE1-NH2 3.74Å; E22-R29 PolarHBondContact OE1-NH2 2.81Å |
| 23 | R | 87.7 | Confident | 86.2 | Confident | 164 Ų | 164 | 108 Ų | 108 | 62% | 0.619 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58.1 | -41 | 171.4 | -85.2 | -174 | -79.9 | -156.2 | -2.9 | 112.8 | R19 R20 K27 | R19-R23 WeakPolarHBondContact O-CB 3.24Å; R19-R23 WeakPolarHBondContact O-CG 3.47Å; R19-R23 PolarHBondContact O-N 3.01Å; R19-R23 PolarHBondContact O-NE 3.2Å; R20-R23 PolarHBondContact O-N 3.47Å; R23-K27 WeakPolarHBondContact O-CB 3.41Å; R23-K27 PolarHBondContact O-N 3.25Å |
| 24 | R | 91.3 | Very high | 87.2 | Confident | 165 Ų | 165 | 104.7 Ų | 104.7 | 62% | 0.623 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.4 | -46.1 | 175.6 | -70.2 | 175 | -168.6 | 160.6 | 2.9 | 111.3 | R20 R21 E22 L26 K27 I28 | R20-R24 WeakPolarHBondContact O-CG 3.42Å; R20-R24 PolarHBondContact O-N 3.13Å; R21-R24 PolarHBondContact O-N 3.09Å; E22-R24 VanDerWaalsContact C-N 3.31Å; E22-R24 PolarHBondContact O-N 3.08Å; R24-L26 PolarHBondContact O-N 2.64Å; R24-K27 PolarHBondContact O-N 2.97Å; R24-I28 VanDerWaalsContact O-CG1 3.26Å; R24-I28 WeakPolarHBondContact O-CG1 3.45Å; R24-I28 PolarHBondContact O-N 2.91Å |
| 25 | R | 90.6 | Very high | 87.8 | Confident | 143 Ų | 143 | 107.8 Ų | 107.8 | 54% | 0.54 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.7 | -46.3 | 176.2 | -73.7 | 174.7 | 175.3 | 166.1 | -3.9 | 111.8 | R21 E22 I28 R29 | R21-R25 WeakPolarHBondContact O-CG 3.41Å; R21-R25 PolarHBondContact O-N 2.91Å; E22-R25 PolarHBondContact O-N 3.47Å; E22-R25 WeakPolarHBondContact OE2-CD 3.36Å; E22-R25 IonicContact OE2-NH1 2.76Å; E22-R25 PolarHBondContact OE2-NH1 2.94Å; R25-I28 PolarHBondContact O-N 3.23Å; R25-R29 WeakPolarHBondContact O-CG 3.48Å; R25-R29 PolarHBondContact O-N 3.27Å |
| 26 | L | 88.9 | Confident | 87.6 | Confident | 104 Ų | 104 | 111.3 Ų | 111.3 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.4 | -42.5 | 179.4 | -155.3 | 73.2 | 0 | 0 | 0 | 111.5 | E22 R24 I28 R29 H30 | E22-L26 WeakPolarHBondContact O-CB 3.22Å; E22-L26 PolarHBondContact O-N 3.45Å; R24-L26 PolarHBondContact O-N 2.64Å; L26-I28 PolarHBondContact O-N 2.94Å; L26-R29 VanDerWaalsContact CD1-NH2 3.32Å; L26-R29 PolarHBondContact O-N 3.31Å; L26-H30 WeakPolarHBondContact O-CB 3.32Å; L26-H30 PolarHBondContact O-N 3.47Å |
| 27 | K | 90.2 | Very high | 86.9 | Confident | 154 Ų | 154 | 110.5 Ų | 110.5 | 67% | 0.67 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.9 | -44.2 | 174.7 | -171.2 | 174.3 | -177.7 | 177.1 | 0 | 111.7 | R23 R24 H30 T31 | R23-K27 WeakPolarHBondContact O-CB 3.41Å; R23-K27 PolarHBondContact O-N 3.25Å; R24-K27 PolarHBondContact O-N 2.97Å; K27-H30 PolarHBondContact O-N 3.14Å; K27-T31 WeakPolarHBondContact O-CB 3.12Å; K27-T31 PolarHBondContact O-N 3.46Å; K27-T31 PolarHBondContact O-OG1 2.81Å; K27-T31 VanDerWaalsContact O-OG1 3.05Å |
| 28 | I | 91.8 | Very high | 86.4 | Confident | 98 Ų | 98 | 109.7 Ų | 109.7 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.1 | -47.4 | 176.3 | -68.1 | 163.4 | 0 | 0 | 0 | 110.7 | R24 R25 L26 H30 T31 N32 | R24-I28 VanDerWaalsContact O-CG1 3.26Å; R24-I28 WeakPolarHBondContact O-CG1 3.45Å; R24-I28 PolarHBondContact O-N 2.91Å; R25-I28 PolarHBondContact O-N 3.23Å; L26-I28 PolarHBondContact O-N 2.94Å; I28-H30 PolarHBondContact O-N 3.45Å; I28-T31 PolarHBondContact O-N 3.39Å; I28-N32 PolarHBondContact O-N 2.81Å |
| 29 | R | 85.8 | Confident | 85.9 | Confident | 128 Ų | 128 | 108.8 Ų | 108.8 | 48% | 0.483 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.4 | -48.2 | 176.4 | -76.5 | -170.2 | -69 | -130.4 | -4.9 | 111.8 | E22 R25 L26 T31 N32 M33 | E22-R29 IonicContact OE1-CZ 2.73Å; E22-R29 IonicContact OE1-NH2 3.74Å; E22-R29 PolarHBondContact OE1-NH2 2.81Å; R25-R29 WeakPolarHBondContact O-CG 3.48Å; R25-R29 PolarHBondContact O-N 3.27Å; L26-R29 VanDerWaalsContact CD1-NH2 3.32Å; L26-R29 PolarHBondContact O-N 3.31Å; R29-T31 PolarHBondContact O-N 2.9Å; R29-N32 PolarHBondContact O-N 3.25Å; R29-M33 WeakPolarHBondContact O-CB 3.17Å; R29-M33 PolarHBondContact O-N 3.24Å |
| 30 | H | 84.9 | Confident | 85.6 | Confident | 119 Ų | 119 | 109.2 Ų | 109.2 | 55% | 0.551 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.8 | -46.7 | 177 | 177.5 | -86.6 | 0 | 0 | 0 | 111.7 | L26 K27 I28 N32 M33 V34 | L26-H30 WeakPolarHBondContact O-CB 3.32Å; L26-H30 PolarHBondContact O-N 3.47Å; K27-H30 PolarHBondContact O-N 3.14Å; I28-H30 PolarHBondContact O-N 3.45Å; H30-N32 VanDerWaalsContact C-N 3.33Å; H30-N32 PolarHBondContact O-N 3.33Å; H30-M33 PolarHBondContact O-N 3.27Å; H30-V34 WeakPolarHBondContact O-CG2 3.45Å; H30-V34 PolarHBondContact O-N 2.83Å |
| 31 | T | 89.9 | Confident | 84.9 | Confident | 59 Ų | 59 | 106.7 Ų | 106.7 | 36% | 0.362 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.2 | -40.6 | 177 | -62.5 | 0 | 0 | 0 | 0 | 112.3 | K27 I28 R29 K35 | K27-T31 WeakPolarHBondContact O-CB 3.12Å; K27-T31 PolarHBondContact O-N 3.46Å; K27-T31 PolarHBondContact O-OG1 2.81Å; K27-T31 VanDerWaalsContact O-OG1 3.05Å; I28-T31 PolarHBondContact O-N 3.39Å; R29-T31 PolarHBondContact O-N 2.9Å; T31-K35 HydrophobicContact CG2-CD 4.45Å; T31-K35 WeakPolarHBondContact O-CG 3.36Å; T31-K35 PolarHBondContact O-N 3.39Å |
| 32 | N | 88.2 | Confident | 84.2 | Confident | 79 Ų | 79 | 110.7 Ų | 110.7 | 42% | 0.422 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.7 | -45.1 | 176.9 | -71.4 | -7.1 | 0 | 0 | 0 | 111.4 | I28 R29 H30 V34 K35 E36 | I28-N32 PolarHBondContact O-N 2.81Å; R29-N32 PolarHBondContact O-N 3.25Å; H30-N32 VanDerWaalsContact C-N 3.33Å; H30-N32 PolarHBondContact O-N 3.33Å; N32-V34 PolarHBondContact O-N 2.85Å; N32-K35 WeakPolarHBondContact O-CB 3.37Å; N32-K35 PolarHBondContact O-N 2.9Å; N32-K35 VanDerWaalsContact O-N 3.12Å; N32-E36 PolarHBondContact O-N 3.05Å |
| 33 | M | 81.4 | Confident | 83.7 | Confident | 107 Ų | 107 | 112.4 Ų | 112.4 | 53% | 0.527 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.1 | -45.7 | 176.5 | -171.2 | -172.6 | -58 | 0 | 0 | 112 | R29 H30 K35 E36 I37 | R29-M33 WeakPolarHBondContact O-CB 3.17Å; R29-M33 PolarHBondContact O-N 3.24Å; H30-M33 PolarHBondContact O-N 3.27Å; M33-K35 VanDerWaalsContact C-N 3.3Å; M33-K35 PolarHBondContact O-N 3.09Å; M33-E36 PolarHBondContact O-N 2.94Å; M33-I37 HydrophobicContact CG-CD1 4.04Å; M33-I37 VanDerWaalsContact O-CG1 3.29Å; M33-I37 WeakPolarHBondContact O-CG1 3.28Å; M33-I37 PolarHBondContact O-N 3.46Å |
| 34 | V | 85.3 | Confident | 83.3 | Confident | 59 Ų | 59 | 108 Ų | 108 | 36% | 0.358 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.9 | -38.4 | 175.9 | 171 | 0 | 0 | 0 | 0 | 111.6 | H30 N32 N38 | H30-V34 WeakPolarHBondContact O-CG2 3.45Å; H30-V34 PolarHBondContact O-N 2.83Å; N32-V34 PolarHBondContact O-N 2.85Å; V34-N38 VanDerWaalsContact O-CB 3.32Å; V34-N38 WeakPolarHBondContact O-CB 3.26Å; V34-N38 PolarHBondContact O-N 3.4Å; V34-N38 PolarHBondContact O-ND2 2.98Å |
| 35 | K | 88.4 | Confident | 82.5 | Confident | 136 Ų | 136 | 102.8 Ų | 102.8 | 59% | 0.591 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.2 | -43.5 | 175.9 | -76.5 | 177.3 | 178.4 | -177.1 | 0 | 112.1 | T31 N32 M33 N38 A39 | T31-K35 HydrophobicContact CG2-CD 4.45Å; T31-K35 WeakPolarHBondContact O-CG 3.36Å; T31-K35 PolarHBondContact O-N 3.39Å; N32-K35 WeakPolarHBondContact O-CB 3.37Å; N32-K35 PolarHBondContact O-N 2.9Å; N32-K35 VanDerWaalsContact O-N 3.12Å; M33-K35 VanDerWaalsContact C-N 3.3Å; M33-K35 PolarHBondContact O-N 3.09Å; K35-N38 PolarHBondContact O-N 2.91Å; K35-A39 VanDerWaalsContact O-CB 3.28Å; K35-A39 WeakPolarHBondContact O-CB 3.33Å; K35-A39 PolarHBondContact O-N 3.36Å |
| 36 | E | 79.6 | Confident | 81.9 | Confident | 136 Ų | 136 | 99 Ų | 99 | 64% | 0.636 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.1 | -45.6 | 177.2 | -75.6 | 172.5 | -170.1 | 0 | 0 | 111.5 | N32 M33 N38 A39 H40 | N32-E36 PolarHBondContact O-N 3.05Å; M33-E36 PolarHBondContact O-N 2.94Å; E36-N38 PolarHBondContact O-N 3.47Å; E36-A39 PolarHBondContact O-N 3.14Å; E36-H40 WeakPolarHBondContact O-CB 3.36Å; E36-H40 PolarHBondContact O-N 3.11Å |
| 37 | I | 72.4 | Confident | 81.2 | Confident | 90 Ų | 90 | 104.4 Ų | 104.4 | 46% | 0.462 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.6 | -48.7 | 175.2 | -68 | 166.7 | 0 | 0 | 0 | 110.3 | M33 A39 H40 I41 | M33-I37 HydrophobicContact CG-CD1 4.04Å; M33-I37 VanDerWaalsContact O-CG1 3.29Å; M33-I37 WeakPolarHBondContact O-CG1 3.28Å; M33-I37 PolarHBondContact O-N 3.46Å; I37-A39 VanDerWaalsContact C-N 3.34Å; I37-A39 PolarHBondContact O-N 2.98Å; I37-H40 PolarHBondContact O-N 2.99Å; I37-I41 HydrophobicContact CG2-CD1 3.76Å; I37-I41 HydrophobicContact CG2-CG1 4.42Å; I37-I41 VanDerWaalsContact O-CG1 3.29Å; I37-I41 WeakPolarHBondContact O-CG1 3.25Å; I37-I41 PolarHBondContact O-N 3.36Å |
| 38 | N | 79.7 | Confident | 80.6 | Confident | 76 Ų | 76 | 101.3 Ų | 101.3 | 41% | 0.406 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 178 | -81.6 | -29 | 0 | 0 | 0 | 112.7 | V34 K35 E36 R42 | V34-N38 VanDerWaalsContact O-CB 3.32Å; V34-N38 WeakPolarHBondContact O-CB 3.26Å; V34-N38 PolarHBondContact O-N 3.4Å; V34-N38 PolarHBondContact O-ND2 2.98Å; K35-N38 PolarHBondContact O-N 2.91Å; E36-N38 PolarHBondContact O-N 3.47Å; N38-R42 WeakPolarHBondContact O-CB 3.33Å; N38-R42 VanDerWaalsContact O-CG 3.25Å; N38-R42 WeakPolarHBondContact O-CG 3.4Å; N38-R42 PolarHBondContact O-N 2.72Å |
| 39 | A | 79.2 | Confident | 80 | Confident | 57 Ų | 57 | 100 Ų | 100 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64 | -44.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | K35 E36 I37 R42 S43 | K35-A39 VanDerWaalsContact O-CB 3.28Å; K35-A39 WeakPolarHBondContact O-CB 3.33Å; K35-A39 PolarHBondContact O-N 3.36Å; E36-A39 PolarHBondContact O-N 3.14Å; I37-A39 VanDerWaalsContact C-N 3.34Å; I37-A39 PolarHBondContact O-N 2.98Å; A39-R42 PolarHBondContact O-N 3.23Å; A39-S43 WeakPolarHBondContact O-CB 3.29Å; A39-S43 PolarHBondContact O-N 3.24Å; A39-S43 PolarHBondContact O-OG 3.5Å |
| 40 | H | 74.6 | Confident | 79.4 | Confident | 124 Ų | 124 | 97.1 Ų | 97.1 | 57% | 0.574 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.6 | -46.4 | 177.3 | -173.3 | -1.4 | 0 | 0 | 0 | 111.7 | E36 I37 R42 S43 S44 | E36-H40 WeakPolarHBondContact O-CB 3.36Å; E36-H40 PolarHBondContact O-N 3.11Å; I37-H40 PolarHBondContact O-N 2.99Å; H40-R42 VanDerWaalsContact C-N 3.31Å; H40-R42 PolarHBondContact O-N 2.9Å; H40-S43 PolarHBondContact O-N 2.93Å; H40-S43 PolarHBondContact O-OG 3.22Å; H40-S44 WeakPolarHBondContact O-CB 3.04Å; H40-S44 PolarHBondContact O-N 2.98Å; H40-S44 PolarHBondContact O-OG 3.42Å |
| 41 | I | 74.7 | Confident | 79.2 | Confident | 69 Ų | 69 | 95.3 Ų | 95.3 | 35% | 0.354 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 176.9 | -68.3 | 169.6 | 0 | 0 | 0 | 110.3 | I37 S44 L45 | I37-I41 HydrophobicContact CG2-CD1 3.76Å; I37-I41 HydrophobicContact CG2-CG1 4.42Å; I37-I41 VanDerWaalsContact O-CG1 3.29Å; I37-I41 WeakPolarHBondContact O-CG1 3.25Å; I37-I41 PolarHBondContact O-N 3.36Å; I41-S44 PolarHBondContact O-OG 3.5Å; I41-L45 HydrophobicContact CG2-CD1 3.87Å; I41-L45 WeakPolarHBondContact O-CB 3.42Å; I41-L45 PolarHBondContact O-N 2.89Å |
| 42 | R | 77.1 | Confident | 78.7 | Confident | 194 Ų | 194 | 94.6 Ų | 94.6 | 73% | 0.732 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -70.3 | -28.8 | 179.2 | -73.9 | 177.6 | -178.7 | -173.3 | 0.6 | 113.5 | N38 A39 H40 | N38-R42 WeakPolarHBondContact O-CB 3.33Å; N38-R42 VanDerWaalsContact O-CG 3.25Å; N38-R42 WeakPolarHBondContact O-CG 3.4Å; N38-R42 PolarHBondContact O-N 2.72Å; A39-R42 PolarHBondContact O-N 3.23Å; H40-R42 VanDerWaalsContact C-N 3.31Å; H40-R42 PolarHBondContact O-N 2.9Å |
| 43 | S | 77.1 | Confident | 78.2 | Confident | 99 Ų | 99 | 94.2 Ų | 94.2 | 69% | 0.692 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -83.8 | -28.7 | 178.1 | 70.4 | 0 | 0 | 0 | 0 | 112.5 | A39 H40 | A39-S43 WeakPolarHBondContact O-CB 3.29Å; A39-S43 PolarHBondContact O-N 3.24Å; A39-S43 PolarHBondContact O-OG 3.5Å; H40-S43 PolarHBondContact O-N 2.93Å; H40-S43 PolarHBondContact O-OG 3.22Å |
| 44 | S | 77.2 | Confident | 78.1 | Confident | 72 Ų | 72 | 92.6 Ų | 92.6 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -89.9 | -32.9 | -178.4 | 64 | 0 | 0 | 0 | 0 | 113.3 | H40 I41 | H40-S44 WeakPolarHBondContact O-CB 3.04Å; H40-S44 PolarHBondContact O-N 2.98Å; H40-S44 PolarHBondContact O-OG 3.42Å; I41-S44 PolarHBondContact O-OG 3.5Å |
| 45 | L | 75.3 | Confident | 77.9 | Confident | 55 Ų | 55 | 93.6 Ų | 93.6 | 29% | 0.288 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -96.6 | 127.5 | 178 | -63.6 | 174.2 | 0 | 0 | 0 | 110.2 | I41 K49 L50 L53 | I41-L45 HydrophobicContact CG2-CD1 3.87Å; I41-L45 WeakPolarHBondContact O-CB 3.42Å; I41-L45 PolarHBondContact O-N 2.89Å; L45-K49 HydrophobicContact CD2-CG 3.97Å; L45-L50 HydrophobicContact CD1-CD1 4.28Å; L45-L53 HydrophobicContact CD1-CD1 4.16Å |
| 46 | S | 77.5 | Confident | 77.5 | Confident | 63 Ų | 63 | 90.3 Ų | 90.3 | 44% | 0.441 | 48% | 0.48 | S | S | . | . | trans | -57.9 | 147.3 | 165.9 | 65.6 | 0 | 0 | 0 | 0 | 109.6 | S48 K49 L50 | S46-S48 PolarHBondContact O-N 3.24Å; S46-S48 VanDerWaalsContact O-N 3.14Å; S46-S48 PolarHBondContact OG-OG 3.47Å; S46-K49 PolarHBondContact O-N 3.06Å; S46-K49 WeakPolarHBondContact OG-CB 3.5Å; S46-K49 PolarHBondContact OG-N 3.01Å; S46-K49 VanDerWaalsContact OG-N 3.15Å; S46-L50 PolarHBondContact O-N 3.31Å | ||
| 47 | R | 75.8 | Confident | 77.5 | Confident | 219 Ų | 219 | 89 Ų | 89 | 83% | 0.826 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -52.6 | -37.8 | 175.7 | -176.1 | 179 | 176.9 | 117 | -1.1 | 111.4 | L50 V51 | R47-L50 PolarHBondContact O-N 3.13Å; R47-V51 VanDerWaalsContact O-CG2 3.28Å; R47-V51 WeakPolarHBondContact O-CG2 3.44Å; R47-V51 PolarHBondContact O-N 2.92Å |
| 48 | S | 77.2 | Confident | 77.9 | Confident | 89 Ų | 89 | 88.7 Ų | 88.7 | 62% | 0.622 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.1 | -43.9 | 176.1 | 53.1 | 0 | 0 | 0 | 0 | 112.6 | S46 V51 S52 | S46-S48 PolarHBondContact O-N 3.24Å; S46-S48 VanDerWaalsContact O-N 3.14Å; S46-S48 PolarHBondContact OG-OG 3.47Å; S48-V51 PolarHBondContact O-N 3.44Å; S48-S52 PolarHBondContact O-N 3.2Å |
| 49 | K | 78.7 | Confident | 78 | Confident | 70 Ų | 70 | 87.2 Ų | 87.2 | 30% | 0.304 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66 | -39.6 | 177.5 | -170.9 | 62.1 | 170.9 | 179.1 | 0 | 111.7 | L45 S46 S52 L53 | L45-K49 HydrophobicContact CD2-CG 3.97Å; S46-K49 PolarHBondContact O-N 3.06Å; S46-K49 WeakPolarHBondContact OG-CB 3.5Å; S46-K49 PolarHBondContact OG-N 3.01Å; S46-K49 VanDerWaalsContact OG-N 3.15Å; K49-S52 WeakPolarHBondContact O-CB 3.4Å; K49-S52 PolarHBondContact O-N 2.95Å; K49-L53 HydrophobicContact CG-CD1 4.49Å; K49-L53 WeakPolarHBondContact O-CG 3.49Å; K49-L53 PolarHBondContact O-N 3.05Å |
| 50 | L | 74.3 | Confident | 78 | Confident | 67 Ų | 67 | 86.6 Ų | 86.6 | 35% | 0.351 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 175.1 | -174 | 70.5 | 0 | 0 | 0 | 111.4 | L45 S46 R47 L53 V54 | L45-L50 HydrophobicContact CD1-CD1 4.28Å; S46-L50 PolarHBondContact O-N 3.31Å; R47-L50 PolarHBondContact O-N 3.13Å; L50-L53 PolarHBondContact O-N 3.4Å; L50-V54 WeakPolarHBondContact O-CG2 3.38Å; L50-V54 PolarHBondContact O-N 3.49Å |
| 51 | V | 79.5 | Confident | 78.1 | Confident | 81 Ų | 81 | 83.8 Ų | 83.8 | 49% | 0.491 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61 | -44.8 | 176.1 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | R47 S48 L53 V54 T55 | R47-V51 VanDerWaalsContact O-CG2 3.28Å; R47-V51 WeakPolarHBondContact O-CG2 3.44Å; R47-V51 PolarHBondContact O-N 2.92Å; S48-V51 PolarHBondContact O-N 3.44Å; V51-L53 PolarHBondContact O-N 3.36Å; V51-V54 PolarHBondContact O-N 2.96Å; V51-T55 HydrophobicContact CG1-CG2 4.43Å; V51-T55 WeakPolarHBondContact O-CG2 3.45Å; V51-T55 PolarHBondContact O-N 2.94Å; V51-T55 PolarHBondContact O-OG1 3.32Å; V51-T55 VanDerWaalsContact O-OG1 3.08Å |
| 52 | S | 79.1 | Confident | 78.5 | Confident | 44 Ų | 44 | 84.9 Ų | 84.9 | 31% | 0.308 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -55 | -50 | 175.8 | -165.4 | 0 | 0 | 0 | 0 | 111.9 | S48 K49 V54 T55 E56 | S48-S52 PolarHBondContact O-N 3.2Å; K49-S52 WeakPolarHBondContact O-CB 3.4Å; K49-S52 PolarHBondContact O-N 2.95Å; S52-V54 VanDerWaalsContact C-N 3.33Å; S52-V54 PolarHBondContact O-N 3.34Å; S52-T55 VanDerWaalsContact CA-OG1 3.32Å; S52-T55 WeakPolarHBondContact CA-OG1 3.36Å; S52-T55 PolarHBondContact O-N 3.5Å; S52-T55 PolarHBondContact O-OG1 3.24Å; S52-E56 WeakPolarHBondContact O-CB 3.37Å; S52-E56 VanDerWaalsContact O-CG 3.26Å; S52-E56 WeakPolarHBondContact O-CG 3.49Å; S52-E56 PolarHBondContact O-N 2.94Å; S52-E56 PolarHBondContact OG-OE1 3.1Å |
| 53 | L | 78.6 | Confident | 78.6 | Confident | 71 Ų | 71 | 77.1 Ų | 77.1 | 37% | 0.372 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 179.6 | -72 | 171.7 | 0 | 0 | 0 | 112.3 | L45 K49 L50 V51 E56 L57 | L45-L53 HydrophobicContact CD1-CD1 4.16Å; K49-L53 HydrophobicContact CG-CD1 4.49Å; K49-L53 WeakPolarHBondContact O-CG 3.49Å; K49-L53 PolarHBondContact O-N 3.05Å; L50-L53 PolarHBondContact O-N 3.4Å; V51-L53 PolarHBondContact O-N 3.36Å; L53-E56 PolarHBondContact O-N 2.91Å; L53-L57 WeakPolarHBondContact O-CB 3.47Å; L53-L57 PolarHBondContact O-N 3.36Å |
| 54 | V | 79.1 | Confident | 78.6 | Confident | 73 Ų | 73 | 75.3 Ų | 75.3 | 44% | 0.442 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.2 | -43.5 | 176.1 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | L50 V51 S52 L57 N58 | L50-V54 WeakPolarHBondContact O-CG2 3.38Å; L50-V54 PolarHBondContact O-N 3.49Å; V51-V54 PolarHBondContact O-N 2.96Å; S52-V54 VanDerWaalsContact C-N 3.33Å; S52-V54 PolarHBondContact O-N 3.34Å; V54-L57 PolarHBondContact O-N 3.35Å; V54-N58 WeakPolarHBondContact O-CB 3.45Å; V54-N58 VanDerWaalsContact O-CG 3.23Å; V54-N58 PolarHBondContact O-N 2.98Å; V54-N58 PolarHBondContact O-ND2 3.09Å |
| 55 | T | 80.7 | Confident | 78.7 | Confident | 80 Ų | 80 | 76.2 Ų | 76.2 | 49% | 0.491 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 176.9 | 47.8 | 0 | 0 | 0 | 0 | 112.1 | V51 S52 N58 S59 | V51-T55 HydrophobicContact CG1-CG2 4.43Å; V51-T55 WeakPolarHBondContact O-CG2 3.45Å; V51-T55 PolarHBondContact O-N 2.94Å; V51-T55 PolarHBondContact O-OG1 3.32Å; V51-T55 VanDerWaalsContact O-OG1 3.08Å; S52-T55 VanDerWaalsContact CA-OG1 3.32Å; S52-T55 WeakPolarHBondContact CA-OG1 3.36Å; S52-T55 PolarHBondContact O-N 3.5Å; S52-T55 PolarHBondContact O-OG1 3.24Å; T55-N58 PolarHBondContact O-N 2.95Å; T55-S59 PolarHBondContact O-N 3.4Å |
| 56 | E | 79.7 | Confident | 78.9 | Confident | 68 Ų | 68 | 78.5 Ų | 78.5 | 32% | 0.318 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63 | -45.2 | 175.8 | -73.2 | 163.3 | -138.2 | 0 | 0 | 111.2 | S52 L53 S59 L60 R101 | S52-E56 WeakPolarHBondContact O-CB 3.37Å; S52-E56 VanDerWaalsContact O-CG 3.26Å; S52-E56 WeakPolarHBondContact O-CG 3.49Å; S52-E56 PolarHBondContact O-N 2.94Å; S52-E56 PolarHBondContact OG-OE1 3.1Å; L53-E56 PolarHBondContact O-N 2.91Å; E56-S59 PolarHBondContact O-N 3.03Å; E56-S59 PolarHBondContact O-OG 2.87Å; E56-L60 PolarHBondContact O-N 3.25Å; E56-L60 VanDerWaalsContact O-N 3.14Å; E56-R101 PolarHBondContact O-NH1 2.95Å |
| 57 | L | 79.3 | Confident | 78.9 | Confident | 107 Ų | 107 | 76.4 Ų | 76.4 | 56% | 0.56 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -64 | -41.3 | 177.8 | -177.1 | 63.1 | 0 | 0 | 0 | 112.3 | L53 V54 L60 T61 | L53-L57 WeakPolarHBondContact O-CB 3.47Å; L53-L57 PolarHBondContact O-N 3.36Å; V54-L57 PolarHBondContact O-N 3.35Å; L57-L60 PolarHBondContact O-N 3.06Å; L57-T61 PolarHBondContact O-N 3.46Å; L57-T61 PolarHBondContact O-OG1 3.26Å |
| 58 | N | 81.2 | Confident | 79 | Confident | 84 Ų | 84 | 68.7 Ų | 68.7 | 45% | 0.449 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 176 | -72.4 | -15.5 | 0 | 0 | 0 | 110.9 | V54 T55 L60 T61 D62 | V54-N58 WeakPolarHBondContact O-CB 3.45Å; V54-N58 VanDerWaalsContact O-CG 3.23Å; V54-N58 PolarHBondContact O-N 2.98Å; V54-N58 PolarHBondContact O-ND2 3.09Å; T55-N58 PolarHBondContact O-N 2.95Å; N58-L60 VanDerWaalsContact C-N 3.28Å; N58-L60 PolarHBondContact O-N 3Å; N58-T61 WeakPolarHBondContact O-CB 3.39Å; N58-T61 PolarHBondContact O-N 2.98Å; N58-T61 VanDerWaalsContact O-N 3.08Å; N58-D62 PolarHBondContact O-N 2.82Å |
| 59 | S | 81.5 | Confident | 79 | Confident | 45 Ų | 45 | 68.6 Ų | 68.6 | 32% | 0.315 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.2 | -36.6 | 177.6 | 72.5 | 0 | 0 | 0 | 0 | 113.2 | T55 E56 L63 R101 | T55-S59 PolarHBondContact O-N 3.4Å; E56-S59 PolarHBondContact O-N 3.03Å; E56-S59 PolarHBondContact O-OG 2.87Å; S59-L63 WeakPolarHBondContact O-CB 3.45Å; S59-L63 PolarHBondContact O-N 2.94Å; S59-L63 VanDerWaalsContact O-N 3.15Å; S59-R101 PolarHBondContact OG-NH1 3.04Å; S59-R101 PolarHBondContact OG-NH2 3.47Å |
| 60 | L | 79.5 | Confident | 78.8 | Confident | 44 Ų | 44 | 66.2 Ų | 66.2 | 23% | 0.23 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -70.2 | -39.6 | 176 | -176.3 | 59.8 | 0 | 0 | 0 | 111.2 | E56 L57 N58 D62 L63 C64 I94 C98 | E56-L60 PolarHBondContact O-N 3.25Å; E56-L60 VanDerWaalsContact O-N 3.14Å; L57-L60 PolarHBondContact O-N 3.06Å; N58-L60 VanDerWaalsContact C-N 3.28Å; N58-L60 PolarHBondContact O-N 3Å; L60-D62 VanDerWaalsContact C-N 3.35Å; L60-L63 PolarHBondContact O-N 3.42Å; L60-C64 WeakPolarHBondContact O-CB 3.06Å; L60-C64 PolarHBondContact O-N 3.37Å; L60-C64 PolarHBondContact O-SG 3.46Å; L60-I94 HydrophobicContact CD1-CG2 4.22Å; L60-C98 VanDerWaalsContact CD1-SG 3.58Å |
| 61 | T | 77.3 | Confident | 78.7 | Confident | 66 Ų | 66 | 66.5 Ų | 66.5 | 41% | 0.405 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 177.2 | -56.1 | 0 | 0 | 0 | 0 | 110.5 | L57 N58 L63 C64 L65 | L57-T61 PolarHBondContact O-N 3.46Å; L57-T61 PolarHBondContact O-OG1 3.26Å; N58-T61 WeakPolarHBondContact O-CB 3.39Å; N58-T61 PolarHBondContact O-N 2.98Å; N58-T61 VanDerWaalsContact O-N 3.08Å; T61-L63 VanDerWaalsContact C-N 3.31Å; T61-L63 PolarHBondContact O-N 3.02Å; T61-C64 PolarHBondContact O-N 3.43Å; T61-L65 HydrophobicContact CG2-CD1 4.37Å; T61-L65 WeakPolarHBondContact O-CG 3.47Å; T61-L65 PolarHBondContact O-N 2.91Å |
| 62 | D | 82.1 | Confident | 78.4 | Confident | 91 Ų | 91 | 69.4 Ų | 69.4 | 49% | 0.487 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60 | -42 | 176.8 | -67.5 | -22.7 | 0 | 0 | 0 | 111.6 | N58 L60 L65 Q66 | N58-D62 PolarHBondContact O-N 2.82Å; L60-D62 VanDerWaalsContact C-N 3.35Å; D62-L65 PolarHBondContact O-N 2.95Å; D62-Q66 WeakPolarHBondContact O-CG 3.49Å; D62-Q66 PolarHBondContact O-N 3.28Å |
| 63 | L | 79.2 | Confident | 78.2 | Confident | 31 Ų | 31 | 70.6 Ų | 70.6 | 16% | 0.162 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.6 | -41.9 | 178.4 | -159.4 | 69.8 | 0 | 0 | 0 | 111.8 | S59 L60 T61 L65 Q66 C67 I94 A97 | S59-L63 WeakPolarHBondContact O-CB 3.45Å; S59-L63 PolarHBondContact O-N 2.94Å; S59-L63 VanDerWaalsContact O-N 3.15Å; L60-L63 PolarHBondContact O-N 3.42Å; T61-L63 VanDerWaalsContact C-N 3.31Å; T61-L63 PolarHBondContact O-N 3.02Å; L63-L65 VanDerWaalsContact C-N 3.32Å; L63-L65 PolarHBondContact O-N 3.02Å; L63-Q66 PolarHBondContact O-N 2.98Å; L63-C67 PolarHBondContact O-N 3.41Å; L63-I94 HydrophobicContact CB-CG1 4.1Å; L63-I94 VanDerWaalsContact CD2-CA 3.49Å; L63-I94 HydrophobicContact CD2-CB 3.99Å; L63-I94 HydrophobicContact CD2-CG1 3.38Å; L63-I94 HydrophobicContact CG-CB 4.49Å; L63-I94 HydrophobicContact CG-CD1 4.29Å; L63-I94 HydrophobicContact CG-CG1 3.38Å; L63-A97 HydrophobicContact CD2-CB 4.26Å |
| 64 | C | 77.9 | Confident | 77.8 | Confident | 61 Ų | 61 | 70.4 Ų | 70.4 | 41% | 0.412 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.3 | -39.4 | 173 | -73.2 | 0 | 0 | 0 | 0 | 112.3 | L60 T61 C67 N68 | L60-C64 WeakPolarHBondContact O-CB 3.06Å; L60-C64 PolarHBondContact O-N 3.37Å; L60-C64 PolarHBondContact O-SG 3.46Å; T61-C64 PolarHBondContact O-N 3.43Å; C64-C67 PolarHBondContact O-N 2.87Å; C64-N68 WeakPolarHBondContact O-CB 3.08Å; C64-N68 PolarHBondContact O-N 3.29Å |
| 65 | L | 79.7 | Confident | 77.5 | Confident | 91 Ų | 91 | 74 Ų | 74 | 48% | 0.476 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.5 | -45.4 | 175.1 | -71.3 | 172.8 | 0 | 0 | 0 | 111.2 | T61 D62 L63 C67 N68 D69 | T61-L65 HydrophobicContact CG2-CD1 4.37Å; T61-L65 WeakPolarHBondContact O-CG 3.47Å; T61-L65 PolarHBondContact O-N 2.91Å; D62-L65 PolarHBondContact O-N 2.95Å; L63-L65 VanDerWaalsContact C-N 3.32Å; L63-L65 PolarHBondContact O-N 3.02Å; L65-C67 VanDerWaalsContact C-N 3.33Å; L65-C67 PolarHBondContact O-N 2.95Å; L65-N68 PolarHBondContact O-N 3.32Å; L65-N68 VanDerWaalsContact O-N 3.13Å; L65-D69 PolarHBondContact O-N 3.16Å |
| 66 | Q | 79.5 | Confident | 77 | Confident | 104 Ų | 104 | 75.7 Ų | 75.7 | 49% | 0.486 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.7 | -40.9 | 176.1 | -71.4 | 173.2 | 30.8 | 0 | 0 | 112.6 | D62 L63 S70 | D62-Q66 WeakPolarHBondContact O-CG 3.49Å; D62-Q66 PolarHBondContact O-N 3.28Å; L63-Q66 PolarHBondContact O-N 2.98Å; Q66-S70 WeakPolarHBondContact O-CB 3.34Å; Q66-S70 PolarHBondContact O-N 3.4Å; Q66-S70 PolarHBondContact O-OG 3.21Å |
| 67 | C | 77.3 | Confident | 76.2 | Confident | 19 Ų | 19 | 75.1 Ų | 75.1 | 13% | 0.128 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63 | -44.4 | 174 | 174.5 | 0 | 0 | 0 | 0 | 111.7 | L63 C64 L65 S70 M71 N90 I94 | L63-C67 PolarHBondContact O-N 3.41Å; C64-C67 PolarHBondContact O-N 2.87Å; L65-C67 VanDerWaalsContact C-N 3.33Å; L65-C67 PolarHBondContact O-N 2.95Å; C67-S70 WeakPolarHBondContact O-CB 3.45Å; C67-S70 PolarHBondContact O-N 3.38Å; C67-M71 WeakPolarHBondContact O-CB 3.37Å; C67-M71 PolarHBondContact O-N 3.03Å; C67-N90 HydrophobicContact CB-CB 4.41Å; C67-I94 HydrophobicContact CB-CD1 3.36Å |
| 68 | N | 76.9 | Confident | 75.2 | Confident | 57 Ų | 57 | 77.6 Ų | 77.6 | 31% | 0.305 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.3 | -41 | 179 | -161.2 | 1.5 | 0 | 0 | 0 | 111.8 | C64 L65 S70 M71 R72 | C64-N68 WeakPolarHBondContact O-CB 3.08Å; C64-N68 PolarHBondContact O-N 3.29Å; L65-N68 PolarHBondContact O-N 3.32Å; L65-N68 VanDerWaalsContact O-N 3.13Å; N68-S70 VanDerWaalsContact C-N 3.34Å; N68-M71 WeakPolarHBondContact O-CB 3.39Å; N68-M71 PolarHBondContact O-N 3.11Å; N68-M71 VanDerWaalsContact OD1-CE 3.23Å; N68-M71 WeakPolarHBondContact OD1-CE 3.3Å; N68-R72 WeakPolarHBondContact O-CG 3.38Å; N68-R72 PolarHBondContact O-N 3.39Å |
| 69 | D | 78.1 | Confident | 74.3 | Confident | 86 Ų | 86 | 81.1 Ų | 81.1 | 46% | 0.46 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67 | -36.1 | 175.4 | -70 | -22.6 | 0 | 0 | 0 | 111.8 | L65 R72 S73 | L65-D69 PolarHBondContact O-N 3.16Å; D69-R72 PolarHBondContact O-N 3.49Å; D69-R72 IonicContact OD1-NH1 3.4Å; D69-R72 PolarHBondContact OD1-NH1 3.49Å; D69-S73 WeakPolarHBondContact O-CB 3.48Å; D69-S73 PolarHBondContact O-N 2.9Å |
| 70 | S | 73.7 | Confident | 74 | Confident | 21 Ų | 21 | 82.1 Ų | 82.1 | 15% | 0.147 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -65 | -40.5 | 172.5 | -58 | 0 | 0 | 0 | 0 | 112 | Q66 C67 N68 S73 F74 N90 | Q66-S70 WeakPolarHBondContact O-CB 3.34Å; Q66-S70 PolarHBondContact O-N 3.4Å; Q66-S70 PolarHBondContact O-OG 3.21Å; C67-S70 WeakPolarHBondContact O-CB 3.45Å; C67-S70 PolarHBondContact O-N 3.38Å; N68-S70 VanDerWaalsContact C-N 3.34Å; S70-S73 PolarHBondContact O-N 2.99Å; S70-F74 WeakPolarHBondContact O-CB 3.35Å; S70-F74 PolarHBondContact O-N 3.06Å; S70-N90 PolarHBondContact OG-ND2 3.5Å |
| 71 | M | 72 | Confident | 73.9 | Confident | 72 Ų | 72 | 86 Ų | 86 | 36% | 0.355 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63 | -44 | 174.9 | -173.9 | 176.9 | 58.9 | 0 | 0 | 111.4 | C67 N68 F74 M75 | C67-M71 WeakPolarHBondContact O-CB 3.37Å; C67-M71 PolarHBondContact O-N 3.03Å; N68-M71 WeakPolarHBondContact O-CB 3.39Å; N68-M71 PolarHBondContact O-N 3.11Å; N68-M71 VanDerWaalsContact OD1-CE 3.23Å; N68-M71 WeakPolarHBondContact OD1-CE 3.3Å; M71-F74 PolarHBondContact O-N 2.96Å; M71-M75 WeakPolarHBondContact O-CG 3.4Å; M71-M75 PolarHBondContact O-N 3.3Å |
| 72 | R | 74.6 | Confident | 74.1 | Confident | 143 Ų | 143 | 90.2 Ų | 90.2 | 54% | 0.54 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 175.4 | -72.9 | 177.7 | -172.8 | 146.5 | -4.5 | 111.8 | N68 D69 F74 M75 T76 | N68-R72 WeakPolarHBondContact O-CG 3.38Å; N68-R72 PolarHBondContact O-N 3.39Å; D69-R72 PolarHBondContact O-N 3.49Å; D69-R72 IonicContact OD1-NH1 3.4Å; D69-R72 PolarHBondContact OD1-NH1 3.49Å; R72-F74 VanDerWaalsContact C-N 3.33Å; R72-F74 PolarHBondContact O-N 3.39Å; R72-M75 PolarHBondContact O-N 3.37Å; R72-T76 WeakPolarHBondContact O-CG2 3.35Å; R72-T76 PolarHBondContact O-N 2.87Å; R72-T76 PolarHBondContact O-OG1 3.34Å |
| 73 | S | 74.1 | Confident | 73.9 | Confident | 68 Ų | 68 | 86.7 Ų | 86.7 | 48% | 0.476 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.1 | -48.2 | 175.9 | -171.6 | 0 | 0 | 0 | 0 | 110.8 | D69 S70 M75 T76 T77 | D69-S73 WeakPolarHBondContact O-CB 3.48Å; D69-S73 PolarHBondContact O-N 2.9Å; S70-S73 PolarHBondContact O-N 2.99Å; S73-M75 PolarHBondContact O-N 3.24Å; S73-T76 PolarHBondContact O-N 3Å; S73-T76 VanDerWaalsContact O-N 3.1Å; S73-T76 PolarHBondContact O-OG1 2.89Å; S73-T77 PolarHBondContact O-N 2.97Å; S73-T77 PolarHBondContact O-OG1 2.89Å; S73-T77 VanDerWaalsContact O-OG1 3.07Å |
| 74 | F | 70.3 | Confident | 73.7 | Confident | 67 Ų | 67 | 88.9 Ų | 88.9 | 29% | 0.294 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -57.9 | -45.2 | 176.9 | 169.8 | -112.6 | 0 | 0 | 0 | 112.5 | S70 M71 R72 T76 T77 I84 | S70-F74 WeakPolarHBondContact O-CB 3.35Å; S70-F74 PolarHBondContact O-N 3.06Å; M71-F74 PolarHBondContact O-N 2.96Å; R72-F74 VanDerWaalsContact C-N 3.33Å; R72-F74 PolarHBondContact O-N 3.39Å; F74-T76 PolarHBondContact O-N 3.34Å; F74-T77 PolarHBondContact O-N 3.28Å; F74-T77 VanDerWaalsContact O-O 3.11Å; F74-T77 PolarHBondContact O-OG1 3.44Å; F74-I84 HydrophobicContact CD2-CG1 3.69Å; F74-I84 HydrophobicContact CE2-CB 4.41Å; F74-I84 HydrophobicContact CE2-CD1 3.7Å; F74-I84 HydrophobicContact CE2-CG1 3.08Å; F74-I84 HydrophobicContact CZ-CD1 3.97Å; F74-I84 HydrophobicContact CZ-CG1 3.6Å |
| 75 | M | 72.6 | Confident | 73.8 | Confident | 150 Ų | 150 | 89.4 Ų | 89.4 | 74% | 0.739 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.5 | -19.7 | 178 | -70.5 | -172.7 | 77.8 | 0 | 0 | 114 | M71 R72 S73 | M71-M75 WeakPolarHBondContact O-CG 3.4Å; M71-M75 PolarHBondContact O-N 3.3Å; R72-M75 PolarHBondContact O-N 3.37Å; S73-M75 PolarHBondContact O-N 3.24Å |
| 76 | T | 71.2 | Confident | 73.9 | Confident | 114 Ų | 114 | 91 Ų | 91 | 70% | 0.699 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -94.9 | -16.3 | 179.1 | 55.4 | 0 | 0 | 0 | 0 | 114.1 | R72 S73 F74 | R72-T76 WeakPolarHBondContact O-CG2 3.35Å; R72-T76 PolarHBondContact O-N 2.87Å; R72-T76 PolarHBondContact O-OG1 3.34Å; S73-T76 PolarHBondContact O-N 3Å; S73-T76 VanDerWaalsContact O-N 3.1Å; S73-T76 PolarHBondContact O-OG1 2.89Å; F74-T76 PolarHBondContact O-N 3.34Å |
| 77 | T | 61.9 | Low | 73.9 | Confident | 56 Ų | 56 | 90.3 Ų | 90.3 | 34% | 0.344 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -109.7 | 103.5 | -179.1 | 52.8 | 0 | 0 | 0 | 0 | 109.1 | S73 F74 D79 | S73-T77 PolarHBondContact O-N 2.97Å; S73-T77 PolarHBondContact O-OG1 2.89Å; S73-T77 VanDerWaalsContact O-OG1 3.07Å; F74-T77 PolarHBondContact O-N 3.28Å; F74-T77 VanDerWaalsContact O-O 3.11Å; F74-T77 PolarHBondContact O-OG1 3.44Å; T77-D79 PolarHBondContact O-N 2.94Å |
| 78 | D | 58.5 | Low | 74 | Confident | 159 Ų | 159 | 90.5 Ų | 90.5 | 85% | 0.85 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 125.1 | 173.8 | -82.9 | -25.6 | 0 | 0 | 0 | 110.5 | D80 | D78-D80 VanDerWaalsContact C-N 3.33Å; D78-D80 PolarHBondContact O-N 3.37Å; D78-D80 VanDerWaalsContact O-N 3.12Å |
| 79 | D | 63.1 | Low | 74.4 | Confident | 158 Ų | 158 | 93.5 Ų | 93.5 | 85% | 0.845 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 30.5 | 165.6 | -62.4 | -30.2 | 0 | 0 | 0 | 118.1 | T77 L81 | T77-D79 PolarHBondContact O-N 2.94Å; D79-L81 PolarHBondContact O-N 3.18Å |
| 80 | D | 74.4 | Confident | 74.5 | Confident | 67 Ų | 67 | 90.9 Ų | 90.9 | 36% | 0.358 | 47% | 0.47 | S | S | . | . | trans | -81.7 | 101.1 | 170 | -171.8 | 12.3 | 0 | 0 | 0 | 111.5 | D78 E82 G83 I84 | D78-D80 VanDerWaalsContact C-N 3.33Å; D78-D80 PolarHBondContact O-N 3.37Å; D78-D80 VanDerWaalsContact O-N 3.12Å; D80-E82 PolarHBondContact O-N 3.18Å; D80-E82 VanDerWaalsContact OD1-CB 3.23Å; D80-E82 WeakPolarHBondContact OD1-CB 3.43Å; D80-E82 PolarHBondContact OD1-N 2.91Å; D80-G83 PolarHBondContact O-N 2.82Å; D80-G83 PolarHBondContact OD2-N 2.74Å; D80-I84 PolarHBondContact O-N 3.47Å | ||
| 81 | L | 78.1 | Confident | 74.8 | Confident | 126 Ų | 126 | 92.6 Ų | 92.6 | 66% | 0.66 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -56.1 | -30 | 173.4 | -175.2 | 66.7 | 0 | 0 | 0 | 112 | D79 I84 T85 | D79-L81 PolarHBondContact O-N 3.18Å; L81-I84 PolarHBondContact O-N 3.12Å; L81-T85 WeakPolarHBondContact O-CB 3.39Å; L81-T85 PolarHBondContact O-N 3.02Å; L81-T85 PolarHBondContact O-OG1 2.9Å |
| 82 | E | 80.8 | Confident | 75.3 | Confident | 154 Ų | 154 | 95.1 Ų | 95.1 | 72% | 0.72 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.6 | -42.4 | 175.9 | -168.3 | 171.8 | 170.4 | 0 | 0 | 110.7 | D80 I84 T85 K86 | D80-E82 PolarHBondContact O-N 3.18Å; D80-E82 VanDerWaalsContact OD1-CB 3.23Å; D80-E82 WeakPolarHBondContact OD1-CB 3.43Å; D80-E82 PolarHBondContact OD1-N 2.91Å; E82-I84 PolarHBondContact O-N 3.23Å; E82-T85 PolarHBondContact O-N 3.36Å; E82-K86 WeakPolarHBondContact O-CB 3.39Å; E82-K86 PolarHBondContact O-N 3.49Å |
| 83 | G | 77.7 | Confident | 75.8 | Confident | 17 Ų | 17 | 91.2 Ų | 91.2 | 18% | 0.175 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 173 | 0 | 0 | 0 | 0 | 0 | 113.5 | D80 W87 | D80-G83 PolarHBondContact O-N 2.82Å; D80-G83 PolarHBondContact OD2-N 2.74Å; G83-W87 WeakPolarHBondContact O-CB 3.49Å; G83-W87 PolarHBondContact O-N 2.82Å |
| 84 | I | 76.2 | Confident | 76 | Confident | 77 Ų | 77 | 89.2 Ų | 89.2 | 40% | 0.395 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.3 | -47.9 | 175.1 | -64.1 | 174.7 | 0 | 0 | 0 | 110.5 | F74 D80 L81 E82 K86 W87 G88 | F74-I84 HydrophobicContact CD2-CG1 3.69Å; F74-I84 HydrophobicContact CE2-CB 4.41Å; F74-I84 HydrophobicContact CE2-CD1 3.7Å; F74-I84 HydrophobicContact CE2-CG1 3.08Å; F74-I84 HydrophobicContact CZ-CD1 3.97Å; F74-I84 HydrophobicContact CZ-CG1 3.6Å; D80-I84 PolarHBondContact O-N 3.47Å; L81-I84 PolarHBondContact O-N 3.12Å; E82-I84 PolarHBondContact O-N 3.23Å; I84-K86 PolarHBondContact O-N 3.3Å; I84-W87 PolarHBondContact O-N 3.23Å; I84-G88 PolarHBondContact O-N 2.94Å |
| 85 | T | 78.6 | Confident | 76.4 | Confident | 71 Ų | 71 | 88.5 Ų | 88.5 | 44% | 0.436 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.2 | -48.1 | -177.5 | -55.6 | 0 | 0 | 0 | 0 | 110.2 | L81 E82 W87 G88 E89 | L81-T85 WeakPolarHBondContact O-CB 3.39Å; L81-T85 PolarHBondContact O-N 3.02Å; L81-T85 PolarHBondContact O-OG1 2.9Å; E82-T85 PolarHBondContact O-N 3.36Å; T85-W87 PolarHBondContact O-N 3.42Å; T85-G88 PolarHBondContact O-N 3.41Å; T85-E89 WeakPolarHBondContact O-CG 3.34Å; T85-E89 PolarHBondContact O-N 3.38Å |
| 86 | K | 82 | Confident | 77 | Confident | 124 Ų | 124 | 84.1 Ų | 84.1 | 54% | 0.539 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 178.1 | -174.4 | 176.6 | -178.1 | 178.3 | 0 | 113.1 | E82 I84 E89 N90 | E82-K86 WeakPolarHBondContact O-CB 3.39Å; E82-K86 PolarHBondContact O-N 3.49Å; I84-K86 PolarHBondContact O-N 3.3Å; K86-E89 PolarHBondContact O-N 3.23Å; K86-N90 VanDerWaalsContact O-CG 3.32Å; K86-N90 PolarHBondContact O-N 3.24Å; K86-N90 PolarHBondContact O-ND2 3.1Å |
| 87 | W | 79.9 | Confident | 77.5 | Confident | 91 Ų | 91 | 79.6 Ų | 79.6 | 35% | 0.345 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 174.3 | 175.1 | 78.1 | 0 | 0 | 0 | 111.3 | G83 I84 T85 E89 N90 V91 | G83-W87 WeakPolarHBondContact O-CB 3.49Å; G83-W87 PolarHBondContact O-N 2.82Å; I84-W87 PolarHBondContact O-N 3.23Å; T85-W87 PolarHBondContact O-N 3.42Å; W87-E89 PolarHBondContact O-N 3.06Å; W87-N90 PolarHBondContact O-N 2.87Å; W87-V91 HydrophobicContact CD2-CG2 4.19Å; W87-V91 HydrophobicContact CH2-CG2 4.32Å; W87-V91 HydrophobicContact CZ2-CG2 3.81Å; W87-V91 WeakPolarHBondContact O-CG2 3.45Å; W87-V91 PolarHBondContact O-N 3.14Å |
| 88 | G | 79.8 | Confident | 78.3 | Confident | 23 Ų | 23 | 79 Ų | 79 | 24% | 0.237 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -58.9 | -45.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I84 T85 N90 V91 L92 | I84-G88 PolarHBondContact O-N 2.94Å; T85-G88 PolarHBondContact O-N 3.41Å; G88-N90 VanDerWaalsContact C-N 3.34Å; G88-N90 PolarHBondContact O-N 2.76Å; G88-V91 PolarHBondContact O-N 3.38Å; G88-L92 WeakPolarHBondContact O-CG 3.44Å; G88-L92 PolarHBondContact O-N 3.38Å |
| 89 | E | 84.5 | Confident | 79.3 | Confident | 119 Ų | 119 | 76.8 Ų | 76.8 | 56% | 0.556 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -59.1 | -42.9 | 174.6 | -73.4 | 175 | 171.7 | 0 | 0 | 112.1 | T85 K86 W87 L92 S93 | T85-E89 WeakPolarHBondContact O-CG 3.34Å; T85-E89 PolarHBondContact O-N 3.38Å; K86-E89 PolarHBondContact O-N 3.23Å; W87-E89 PolarHBondContact O-N 3.06Å; E89-L92 PolarHBondContact O-N 2.94Å; E89-S93 WeakPolarHBondContact O-CB 3.45Å; E89-S93 PolarHBondContact O-N 3.4Å |
| 90 | N | 80.7 | Confident | 80.3 | Confident | 31 Ų | 31 | 76.1 Ų | 76.1 | 17% | 0.166 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 177.2 | -74.5 | -19.1 | 0 | 0 | 0 | 112.3 | C67 S70 K86 W87 G88 S93 I94 | C67-N90 HydrophobicContact CB-CB 4.41Å; S70-N90 PolarHBondContact OG-ND2 3.5Å; K86-N90 VanDerWaalsContact O-CG 3.32Å; K86-N90 PolarHBondContact O-N 3.24Å; K86-N90 PolarHBondContact O-ND2 3.1Å; W87-N90 PolarHBondContact O-N 2.87Å; G88-N90 VanDerWaalsContact C-N 3.34Å; G88-N90 PolarHBondContact O-N 2.76Å; N90-S93 PolarHBondContact O-N 2.94Å; N90-I94 WeakPolarHBondContact O-CG1 3.26Å; N90-I94 PolarHBondContact O-N 2.96Å |
| 91 | V | 79.1 | Confident | 80.6 | Confident | 57 Ų | 57 | 76.8 Ų | 76.8 | 35% | 0.345 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 175.1 | 172.9 | 0 | 0 | 0 | 0 | 111 | W87 G88 S93 I94 S95 | W87-V91 HydrophobicContact CD2-CG2 4.19Å; W87-V91 HydrophobicContact CH2-CG2 4.32Å; W87-V91 HydrophobicContact CZ2-CG2 3.81Å; W87-V91 WeakPolarHBondContact O-CG2 3.45Å; W87-V91 PolarHBondContact O-N 3.14Å; G88-V91 PolarHBondContact O-N 3.38Å; V91-S93 VanDerWaalsContact C-N 3.34Å; V91-I94 PolarHBondContact O-N 3.34Å; V91-S95 WeakPolarHBondContact O-CB 3.47Å; V91-S95 PolarHBondContact O-N 3.3Å |
| 92 | L | 82.8 | Confident | 80.6 | Confident | 125 Ų | 125 | 74.5 Ų | 74.5 | 65% | 0.654 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -64.4 | -39.1 | 176.8 | -71.6 | 174.3 | 0 | 0 | 0 | 111.8 | G88 E89 S95 A96 | G88-L92 WeakPolarHBondContact O-CG 3.44Å; G88-L92 PolarHBondContact O-N 3.38Å; E89-L92 PolarHBondContact O-N 2.94Å; L92-S95 PolarHBondContact O-N 2.98Å; L92-A96 WeakPolarHBondContact O-CB 3.28Å; L92-A96 PolarHBondContact O-N 3.46Å |
| 93 | S | 84.6 | Confident | 80.8 | Confident | 61 Ų | 61 | 71.2 Ų | 71.2 | 43% | 0.427 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 175.1 | -171 | 0 | 0 | 0 | 0 | 111.8 | E89 N90 V91 A96 A97 | E89-S93 WeakPolarHBondContact O-CB 3.45Å; E89-S93 PolarHBondContact O-N 3.4Å; N90-S93 PolarHBondContact O-N 2.94Å; V91-S93 VanDerWaalsContact C-N 3.34Å; S93-A96 PolarHBondContact O-N 2.96Å; S93-A97 WeakPolarHBondContact O-CB 3.05Å; S93-A97 PolarHBondContact O-N 3.5Å |
| 94 | I | 80 | Confident | 81.1 | Confident | 26 Ų | 26 | 76.4 Ų | 76.4 | 13% | 0.133 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.7 | -48.8 | 173.3 | -66.8 | 164.3 | 0 | 0 | 0 | 110.9 | L60 L63 C67 N90 V91 A96 A97 C98 | L60-I94 HydrophobicContact CD1-CG2 4.22Å; L63-I94 HydrophobicContact CB-CG1 4.1Å; L63-I94 VanDerWaalsContact CD2-CA 3.49Å; L63-I94 HydrophobicContact CD2-CB 3.99Å; L63-I94 HydrophobicContact CD2-CG1 3.38Å; L63-I94 HydrophobicContact CG-CB 4.49Å; L63-I94 HydrophobicContact CG-CD1 4.29Å; L63-I94 HydrophobicContact CG-CG1 3.38Å; C67-I94 HydrophobicContact CB-CD1 3.36Å; N90-I94 WeakPolarHBondContact O-CG1 3.26Å; N90-I94 PolarHBondContact O-N 2.96Å; V91-I94 PolarHBondContact O-N 3.34Å; I94-A96 VanDerWaalsContact C-N 3.35Å; I94-A96 PolarHBondContact O-N 2.99Å; I94-A97 PolarHBondContact O-N 3.1Å; I94-C98 WeakPolarHBondContact O-CB 3.41Å; I94-C98 PolarHBondContact O-N 3.26Å; I94-C98 PolarHBondContact O-SG 2.94Å |
| 95 | S | 78.4 | Confident | 81.4 | Confident | 52 Ų | 52 | 77.5 Ų | 77.5 | 36% | 0.364 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -58.6 | -48.1 | -179.3 | -172 | 0 | 0 | 0 | 0 | 111 | V91 L92 C98 H99 | V91-S95 WeakPolarHBondContact O-CB 3.47Å; V91-S95 PolarHBondContact O-N 3.3Å; L92-S95 PolarHBondContact O-N 2.98Å; S95-C98 PolarHBondContact O-N 3.23Å; S95-H99 WeakPolarHBondContact O-CB 3.32Å; S95-H99 PolarHBondContact O-CD2 3.24Å; S95-H99 PolarHBondContact O-N 3.46Å |
| 96 | A | 83.7 | Confident | 81.6 | Confident | 59 Ų | 59 | 78.8 Ų | 78.8 | 49% | 0.488 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.9 | -46.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L92 S93 I94 C98 H99 E100 | L92-A96 WeakPolarHBondContact O-CB 3.28Å; L92-A96 PolarHBondContact O-N 3.46Å; S93-A96 PolarHBondContact O-N 2.96Å; I94-A96 VanDerWaalsContact C-N 3.35Å; I94-A96 PolarHBondContact O-N 2.99Å; A96-C98 VanDerWaalsContact C-N 3.32Å; A96-C98 PolarHBondContact O-N 3.36Å; A96-H99 PolarHBondContact O-N 3.38Å; A96-E100 WeakPolarHBondContact O-CB 3.33Å; A96-E100 PolarHBondContact O-N 3Å |
| 97 | A | 82 | Confident | 81.7 | Confident | 18 Ų | 18 | 78.2 Ų | 78.2 | 15% | 0.149 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.8 | -38 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L63 S93 I94 R101 | L63-A97 HydrophobicContact CD2-CB 4.26Å; S93-A97 WeakPolarHBondContact O-CB 3.05Å; S93-A97 PolarHBondContact O-N 3.5Å; I94-A97 PolarHBondContact O-N 3.1Å; A97-R101 WeakPolarHBondContact O-CD 3.46Å; A97-R101 WeakPolarHBondContact O-CG 3.47Å; A97-R101 PolarHBondContact O-N 3.07Å; A97-R101 PolarHBondContact O-NE 2.86Å |
| 98 | C | 80.2 | Confident | 81.9 | Confident | 43 Ų | 43 | 77.5 Ų | 77.5 | 29% | 0.291 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.2 | -46.5 | 173.6 | -75 | 0 | 0 | 0 | 0 | 111.5 | L60 I94 S95 A96 R101 V102 | L60-C98 VanDerWaalsContact CD1-SG 3.58Å; I94-C98 WeakPolarHBondContact O-CB 3.41Å; I94-C98 PolarHBondContact O-N 3.26Å; I94-C98 PolarHBondContact O-SG 2.94Å; S95-C98 PolarHBondContact O-N 3.23Å; A96-C98 VanDerWaalsContact C-N 3.32Å; A96-C98 PolarHBondContact O-N 3.36Å; C98-R101 PolarHBondContact O-N 2.73Å; C98-V102 WeakPolarHBondContact O-CG2 3.37Å; C98-V102 PolarHBondContact O-N 2.97Å |
| 99 | H | 78.1 | Confident | 82 | Confident | 114 Ų | 114 | 84 Ų | 84 | 53% | 0.528 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.3 | -51.2 | 178.7 | -88.6 | -69.3 | 0 | 0 | 0 | 112 | S95 A96 R101 V102 D103 | S95-H99 WeakPolarHBondContact O-CB 3.32Å; S95-H99 PolarHBondContact O-CD2 3.24Å; S95-H99 PolarHBondContact O-N 3.46Å; A96-H99 PolarHBondContact O-N 3.38Å; H99-R101 VanDerWaalsContact C-N 3.26Å; H99-R101 PolarHBondContact O-N 2.94Å; H99-V102 PolarHBondContact O-N 3.38Å; H99-V102 VanDerWaalsContact O-N 3.12Å; H99-D103 WeakPolarHBondContact O-CB 3.2Å; H99-D103 PolarHBondContact O-N 3.22Å |
| 100 | E | 84.3 | Confident | 81.9 | Confident | 144 Ų | 144 | 80.7 Ų | 80.7 | 67% | 0.673 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -56.4 | -41.3 | 179.4 | -174.3 | -178.6 | -174.9 | 0 | 0 | 111.9 | A96 D103 H104 | A96-E100 WeakPolarHBondContact O-CB 3.33Å; A96-E100 PolarHBondContact O-N 3Å; E100-D103 PolarHBondContact O-N 3.19Å; E100-H104 VanDerWaalsContact O-CB 3.31Å; E100-H104 WeakPolarHBondContact O-CB 3.44Å; E100-H104 PolarHBondContact O-N 2.96Å |
| 101 | R | 81.3 | Confident | 82.1 | Confident | 80 Ų | 80 | 84.5 Ų | 84.5 | 30% | 0.302 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -68.6 | -41.6 | 178.2 | -68.2 | 167.4 | -159.3 | -152.2 | 1.9 | 112.5 | E56 S59 A97 C98 H99 H105 | E56-R101 PolarHBondContact O-NH1 2.95Å; S59-R101 PolarHBondContact OG-NH1 3.04Å; S59-R101 PolarHBondContact OG-NH2 3.47Å; A97-R101 WeakPolarHBondContact O-CD 3.46Å; A97-R101 WeakPolarHBondContact O-CG 3.47Å; A97-R101 PolarHBondContact O-N 3.07Å; A97-R101 PolarHBondContact O-NE 2.86Å; C98-R101 PolarHBondContact O-N 2.73Å; H99-R101 VanDerWaalsContact C-N 3.26Å; H99-R101 PolarHBondContact O-N 2.94Å; R101-H105 WeakPolarHBondContact O-CB 3.46Å; R101-H105 PolarHBondContact O-N 2.97Å |
| 102 | V | 78.3 | Confident | 82.3 | Confident | 79 Ų | 79 | 86.3 Ų | 86.3 | 48% | 0.479 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.2 | -46.2 | 176.2 | 169.6 | 0 | 0 | 0 | 0 | 109.9 | C98 H99 H104 H105 L106 | C98-V102 WeakPolarHBondContact O-CG2 3.37Å; C98-V102 PolarHBondContact O-N 2.97Å; H99-V102 PolarHBondContact O-N 3.38Å; H99-V102 VanDerWaalsContact O-N 3.12Å; V102-H104 PolarHBondContact O-N 2.91Å; V102-H105 PolarHBondContact O-N 3.42Å; V102-L106 HydrophobicContact CG1-CD1 3.83Å; V102-L106 HydrophobicContact CG1-CG 4.26Å; V102-L106 WeakPolarHBondContact O-CB 3.25Å; V102-L106 VanDerWaalsContact O-CG 3.29Å; V102-L106 WeakPolarHBondContact O-CG 3.36Å; V102-L106 PolarHBondContact O-N 3.18Å |
| 103 | D | 84 | Confident | 82 | Confident | 85 Ų | 85 | 82.7 Ų | 82.7 | 46% | 0.455 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.2 | -45 | 178.9 | -70.1 | -19.8 | 0 | 0 | 0 | 111.1 | H99 E100 H105 L106 L107 | H99-D103 WeakPolarHBondContact O-CB 3.2Å; H99-D103 PolarHBondContact O-N 3.22Å; E100-D103 PolarHBondContact O-N 3.19Å; D103-H105 VanDerWaalsContact C-N 3.34Å; D103-H105 PolarHBondContact O-N 3.34Å; D103-L106 PolarHBondContact O-N 2.93Å; D103-L107 WeakPolarHBondContact O-CB 3.48Å; D103-L107 WeakPolarHBondContact O-CG 3.31Å; D103-L107 PolarHBondContact O-N 2.91Å |
| 104 | H | 84.8 | Confident | 81.8 | Confident | 126 Ų | 126 | 83.5 Ų | 83.5 | 58% | 0.583 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -59.2 | -44.7 | 175.7 | -172.4 | 69.7 | 0 | 0 | 0 | 112.1 | E100 V102 L107 Q108 | E100-H104 VanDerWaalsContact O-CB 3.31Å; E100-H104 WeakPolarHBondContact O-CB 3.44Å; E100-H104 PolarHBondContact O-N 2.96Å; V102-H104 PolarHBondContact O-N 2.91Å; H104-L107 PolarHBondContact O-N 3.25Å; H104-Q108 WeakPolarHBondContact O-CB 3.39Å; H104-Q108 PolarHBondContact O-N 3.02Å |
| 105 | H | 83.4 | Confident | 81.9 | Confident | 99 Ų | 99 | 85.7 Ų | 85.7 | 46% | 0.458 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67 | -38 | 177.8 | 179.1 | -93.2 | 0 | 0 | 0 | 112.5 | R101 V102 D103 R109 | R101-H105 WeakPolarHBondContact O-CB 3.46Å; R101-H105 PolarHBondContact O-N 2.97Å; V102-H105 PolarHBondContact O-N 3.42Å; D103-H105 VanDerWaalsContact C-N 3.34Å; D103-H105 PolarHBondContact O-N 3.34Å; H105-R109 WeakPolarHBondContact CE1-CD 3.36Å; H105-R109 WeakPolarHBondContact O-CG 3.4Å; H105-R109 PolarHBondContact O-N 3.24Å |
| 106 | L | 81.2 | Confident | 81.9 | Confident | 98 Ų | 98 | 87.2 Ų | 87.2 | 51% | 0.513 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.7 | -42.4 | 176.1 | -72.3 | 175.2 | 0 | 0 | 0 | 111.7 | V102 D103 R109 A110 | V102-L106 HydrophobicContact CG1-CD1 3.83Å; V102-L106 HydrophobicContact CG1-CG 4.26Å; V102-L106 WeakPolarHBondContact O-CB 3.25Å; V102-L106 VanDerWaalsContact O-CG 3.29Å; V102-L106 WeakPolarHBondContact O-CG 3.36Å; V102-L106 PolarHBondContact O-N 3.18Å; D103-L106 PolarHBondContact O-N 2.93Å; L106-R109 PolarHBondContact O-N 3.09Å; L106-A110 WeakPolarHBondContact O-CB 3.34Å; L106-A110 PolarHBondContact O-N 2.94Å |
| 107 | L | 84.3 | Confident | 81.8 | Confident | 113 Ų | 113 | 89.3 Ų | 89.3 | 59% | 0.592 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.8 | -47.6 | 174.8 | -73.6 | 170 | 0 | 0 | 0 | 111.3 | D103 H104 R109 A110 D111 | D103-L107 WeakPolarHBondContact O-CB 3.48Å; D103-L107 WeakPolarHBondContact O-CG 3.31Å; D103-L107 PolarHBondContact O-N 2.91Å; H104-L107 PolarHBondContact O-N 3.25Å; L107-R109 VanDerWaalsContact C-N 3.31Å; L107-R109 PolarHBondContact O-N 3.22Å; L107-A110 WeakPolarHBondContact O-CB 3.43Å; L107-A110 PolarHBondContact O-N 3.31Å; L107-A110 VanDerWaalsContact O-N 3.07Å; L107-D111 PolarHBondContact O-N 3.27Å |
| 108 | Q | 84.7 | Confident | 81.8 | Confident | 76 Ų | 76 | 92.2 Ų | 92.2 | 36% | 0.355 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.8 | -43.4 | 176.4 | -179.5 | 164 | 42.2 | 0 | 0 | 111.9 | H104 A110 D111 D112 | H104-Q108 WeakPolarHBondContact O-CB 3.39Å; H104-Q108 PolarHBondContact O-N 3.02Å; Q108-A110 VanDerWaalsContact C-N 3.33Å; Q108-A110 PolarHBondContact O-N 2.85Å; Q108-D111 PolarHBondContact O-N 3.31Å; Q108-D112 PolarHBondContact O-N 3.4Å |
| 109 | R | 81.7 | Confident | 81.9 | Confident | 159 Ų | 159 | 93.7 Ų | 93.7 | 60% | 0.6 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.7 | -33.5 | 176.4 | -75.7 | -170.7 | 69.8 | -179.2 | 5 | 113.2 | H105 L106 L107 A113 | H105-R109 WeakPolarHBondContact CE1-CD 3.36Å; H105-R109 WeakPolarHBondContact O-CG 3.4Å; H105-R109 PolarHBondContact O-N 3.24Å; L106-R109 PolarHBondContact O-N 3.09Å; L107-R109 VanDerWaalsContact C-N 3.31Å; L107-R109 PolarHBondContact O-N 3.22Å; R109-A113 WeakPolarHBondContact O-CB 3.41Å; R109-A113 PolarHBondContact O-N 3.2Å |
| 110 | A | 83.1 | Confident | 81.9 | Confident | 49 Ų | 49 | 97.1 Ų | 97.1 | 41% | 0.405 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.2 | -43.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L106 L107 Q108 A113 C114 | L106-A110 WeakPolarHBondContact O-CB 3.34Å; L106-A110 PolarHBondContact O-N 2.94Å; L107-A110 WeakPolarHBondContact O-CB 3.43Å; L107-A110 PolarHBondContact O-N 3.31Å; L107-A110 VanDerWaalsContact O-N 3.07Å; Q108-A110 VanDerWaalsContact C-N 3.33Å; Q108-A110 PolarHBondContact O-N 2.85Å; A110-A113 PolarHBondContact O-N 2.94Å; A110-C114 WeakPolarHBondContact O-CB 3.28Å; A110-C114 PolarHBondContact O-N 3.41Å; A110-C114 PolarHBondContact O-SG 2.94Å |
| 111 | D | 84.1 | Confident | 81.8 | Confident | 112 Ų | 112 | 93.7 Ų | 93.7 | 60% | 0.599 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.4 | -44.3 | 176.3 | -71.4 | -24.7 | 0 | 0 | 0 | 112.1 | L107 Q108 A113 C114 S115 | L107-D111 PolarHBondContact O-N 3.27Å; Q108-D111 PolarHBondContact O-N 3.31Å; D111-A113 VanDerWaalsContact C-N 3.34Å; D111-A113 PolarHBondContact O-N 2.9Å; D111-C114 PolarHBondContact O-N 3.45Å; D111-S115 WeakPolarHBondContact O-CB 3.25Å; D111-S115 PolarHBondContact O-N 2.89Å |
| 112 | D | 82.8 | Confident | 82.1 | Confident | 95 Ų | 95 | 93.8 Ų | 93.8 | 51% | 0.508 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 175.1 | -72.7 | -23.9 | 0 | 0 | 0 | 111.3 | Q108 S115 V116 | Q108-D112 PolarHBondContact O-N 3.4Å; D112-S115 PolarHBondContact O-N 2.86Å; D112-V116 WeakPolarHBondContact O-CG2 3.35Å; D112-V116 PolarHBondContact O-N 2.88Å |
| 113 | A | 77.7 | Confident | 82.4 | Confident | 48 Ų | 48 | 92 Ų | 92 | 40% | 0.397 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R109 A110 D111 S115 V116 I117 | R109-A113 WeakPolarHBondContact O-CB 3.41Å; R109-A113 PolarHBondContact O-N 3.2Å; A110-A113 PolarHBondContact O-N 2.94Å; D111-A113 VanDerWaalsContact C-N 3.34Å; D111-A113 PolarHBondContact O-N 2.9Å; A113-S115 VanDerWaalsContact C-N 3.35Å; A113-S115 PolarHBondContact O-N 3.27Å; A113-V116 PolarHBondContact O-N 3.46Å; A113-I117 WeakPolarHBondContact O-CB 3.29Å; A113-I117 WeakPolarHBondContact O-CD1 3.34Å; A113-I117 WeakPolarHBondContact O-CG1 3.35Å; A113-I117 PolarHBondContact O-N 3.28Å |
| 114 | C | 80.8 | Confident | 82.5 | Confident | 78 Ų | 78 | 90.5 Ų | 90.5 | 53% | 0.527 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 175.1 | -74.9 | 0 | 0 | 0 | 0 | 111.9 | A110 D111 I117 S118 | A110-C114 WeakPolarHBondContact O-CB 3.28Å; A110-C114 PolarHBondContact O-N 3.41Å; A110-C114 PolarHBondContact O-SG 2.94Å; D111-C114 PolarHBondContact O-N 3.45Å; C114-I117 PolarHBondContact O-N 3.05Å; C114-S118 VanDerWaalsContact O-CB 3.29Å; C114-S118 WeakPolarHBondContact O-CB 3.33Å; C114-S118 PolarHBondContact O-N 3.32Å |
| 115 | S | 82.2 | Confident | 82.7 | Confident | 72 Ų | 72 | 87.1 Ų | 87.1 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 176.1 | -179.4 | 0 | 0 | 0 | 0 | 112 | D111 D112 A113 S118 S119 | D111-S115 WeakPolarHBondContact O-CB 3.25Å; D111-S115 PolarHBondContact O-N 2.89Å; D112-S115 PolarHBondContact O-N 2.86Å; A113-S115 VanDerWaalsContact C-N 3.35Å; A113-S115 PolarHBondContact O-N 3.27Å; S115-S118 PolarHBondContact O-N 2.91Å; S115-S119 WeakPolarHBondContact O-CB 3.46Å; S115-S119 PolarHBondContact O-N 3.43Å; S115-S119 PolarHBondContact O-OG 2.89Å |
| 116 | V | 78.2 | Confident | 82.9 | Confident | 84 Ų | 84 | 85.2 Ų | 85.2 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 175.7 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | D112 A113 S119 R120 | D112-V116 WeakPolarHBondContact O-CG2 3.35Å; D112-V116 PolarHBondContact O-N 2.88Å; A113-V116 PolarHBondContact O-N 3.46Å; V116-S119 PolarHBondContact O-N 3.42Å; V116-R120 WeakPolarHBondContact O-CB 3.44Å; V116-R120 VanDerWaalsContact O-CG 3.25Å; V116-R120 WeakPolarHBondContact O-CG 3.33Å; V116-R120 PolarHBondContact O-N 3.12Å |
| 117 | I | 80.1 | Confident | 83.3 | Confident | 104 Ų | 104 | 89.3 Ų | 89.3 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 177.8 | -69.3 | 164.5 | 0 | 0 | 0 | 110.8 | A113 C114 R120 S121 | A113-I117 WeakPolarHBondContact O-CB 3.29Å; A113-I117 WeakPolarHBondContact O-CD1 3.34Å; A113-I117 WeakPolarHBondContact O-CG1 3.35Å; A113-I117 PolarHBondContact O-N 3.28Å; C114-I117 PolarHBondContact O-N 3.05Å; I117-R120 PolarHBondContact O-N 2.94Å; I117-S121 WeakPolarHBondContact O-CB 3.4Å; I117-S121 PolarHBondContact O-N 2.82Å; I117-S121 PolarHBondContact O-OG 3.39Å |
| 118 | S | 83.8 | Confident | 83.7 | Confident | 78 Ų | 78 | 90.8 Ų | 90.8 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.8 | -47.4 | 177.4 | -175.6 | 0 | 0 | 0 | 0 | 111.3 | C114 S115 R120 S121 S122 | C114-S118 VanDerWaalsContact O-CB 3.29Å; C114-S118 WeakPolarHBondContact O-CB 3.33Å; C114-S118 PolarHBondContact O-N 3.32Å; S115-S118 PolarHBondContact O-N 2.91Å; S118-R120 VanDerWaalsContact C-N 3.34Å; S118-R120 PolarHBondContact O-N 3.28Å; S118-S121 PolarHBondContact O-N 3.4Å; S118-S122 PolarHBondContact O-N 2.84Å |
| 119 | S | 80.7 | Confident | 84.1 | Confident | 74 Ų | 74 | 90.7 Ų | 90.7 | 52% | 0.517 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 176.4 | -63.3 | 0 | 0 | 0 | 0 | 112.2 | S115 V116 S122 A123 | S115-S119 WeakPolarHBondContact O-CB 3.46Å; S115-S119 PolarHBondContact O-N 3.43Å; S115-S119 PolarHBondContact O-OG 2.89Å; V116-S119 PolarHBondContact O-N 3.42Å; S119-S122 PolarHBondContact O-N 3.28Å; S119-A123 WeakPolarHBondContact O-CB 3.29Å; S119-A123 PolarHBondContact O-N 2.9Å |
| 120 | R | 77.9 | Confident | 84.7 | Confident | 187 Ų | 187 | 88.2 Ų | 88.2 | 71% | 0.706 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.2 | -40.9 | 175.6 | -75.3 | 177.4 | 69.9 | 179.9 | 1.9 | 112.2 | V116 I117 S118 A123 A124 | V116-R120 WeakPolarHBondContact O-CB 3.44Å; V116-R120 VanDerWaalsContact O-CG 3.25Å; V116-R120 WeakPolarHBondContact O-CG 3.33Å; V116-R120 PolarHBondContact O-N 3.12Å; I117-R120 PolarHBondContact O-N 2.94Å; S118-R120 VanDerWaalsContact C-N 3.34Å; S118-R120 PolarHBondContact O-N 3.28Å; R120-A123 PolarHBondContact O-N 3.25Å; R120-A124 WeakPolarHBondContact O-CB 3.28Å; R120-A124 PolarHBondContact O-N 2.99Å |
| 121 | S | 83 | Confident | 85.3 | Confident | 72 Ų | 72 | 94.9 Ų | 94.9 | 50% | 0.503 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 176.3 | -65.5 | 0 | 0 | 0 | 0 | 111.7 | I117 S118 A124 A125 | I117-S121 WeakPolarHBondContact O-CB 3.4Å; I117-S121 PolarHBondContact O-N 2.82Å; I117-S121 PolarHBondContact O-OG 3.39Å; S118-S121 PolarHBondContact O-N 3.4Å; S121-A124 PolarHBondContact O-N 3.39Å; S121-A125 PolarHBondContact O-N 2.91Å |
| 122 | S | 87.1 | Confident | 85.9 | Confident | 82 Ų | 82 | 93.7 Ų | 93.7 | 57% | 0.573 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.6 | -46.6 | 174.5 | -178.5 | 0 | 0 | 0 | 0 | 111.8 | S118 S119 A124 A125 A126 | S118-S122 PolarHBondContact O-N 2.84Å; S119-S122 PolarHBondContact O-N 3.28Å; S122-A124 VanDerWaalsContact C-N 3.31Å; S122-A124 PolarHBondContact O-N 3.48Å; S122-A125 PolarHBondContact O-N 3.42Å; S122-A126 PolarHBondContact O-N 2.98Å |
| 123 | A | 85.1 | Confident | 86.5 | Confident | 40 Ų | 40 | 91.2 Ų | 91.2 | 33% | 0.331 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.5 | -37.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S119 R120 R127 | S119-A123 WeakPolarHBondContact O-CB 3.29Å; S119-A123 PolarHBondContact O-N 2.9Å; R120-A123 PolarHBondContact O-N 3.25Å; A123-R127 VanDerWaalsContact O-CG 3.31Å; A123-R127 WeakPolarHBondContact O-CG 3.49Å; A123-R127 PolarHBondContact O-N 3.43Å |
| 124 | A | 86.1 | Confident | 87.4 | Confident | 54 Ų | 54 | 93.2 Ų | 93.2 | 45% | 0.446 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.7 | -43.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R120 S121 S122 R127 Y128 | R120-A124 WeakPolarHBondContact O-CB 3.28Å; R120-A124 PolarHBondContact O-N 2.99Å; S121-A124 PolarHBondContact O-N 3.39Å; S122-A124 VanDerWaalsContact C-N 3.31Å; S122-A124 PolarHBondContact O-N 3.48Å; A124-R127 PolarHBondContact O-N 2.99Å; A124-Y128 PolarHBondContact O-N 3.33Å |
| 125 | A | 88.7 | Confident | 88.1 | Confident | 55 Ų | 55 | 94 Ų | 94 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S121 S122 R127 Y128 S129 | S121-A125 PolarHBondContact O-N 2.91Å; S122-A125 PolarHBondContact O-N 3.42Å; A125-R127 VanDerWaalsContact C-N 3.35Å; A125-R127 PolarHBondContact O-N 3.34Å; A125-Y128 PolarHBondContact O-N 3.49Å; A125-S129 PolarHBondContact O-N 2.89Å; A125-S129 PolarHBondContact O-OG 2.98Å |
| 126 | A | 88.1 | Confident | 88.8 | Confident | 60 Ų | 60 | 96.6 Ų | 96.6 | 50% | 0.496 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.9 | -42.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S122 S129 L130 | S122-A126 PolarHBondContact O-N 2.98Å; A126-S129 PolarHBondContact O-N 3.14Å; A126-L130 WeakPolarHBondContact O-CB 3.4Å; A126-L130 PolarHBondContact O-N 3.33Å |
| 127 | R | 89.7 | Confident | 89.6 | Confident | 183 Ų | 183 | 98.5 Ų | 98.5 | 69% | 0.691 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.5 | -40.6 | 175.1 | -73.9 | 174.5 | -172.4 | 152.3 | 2.4 | 112.5 | A123 A124 A125 L130 R131 | A123-R127 VanDerWaalsContact O-CG 3.31Å; A123-R127 WeakPolarHBondContact O-CG 3.49Å; A123-R127 PolarHBondContact O-N 3.43Å; A124-R127 PolarHBondContact O-N 2.99Å; A125-R127 VanDerWaalsContact C-N 3.35Å; A125-R127 PolarHBondContact O-N 3.34Å; R127-L130 PolarHBondContact O-N 2.97Å; R127-R131 WeakPolarHBondContact O-CB 3.41Å; R127-R131 PolarHBondContact O-N 2.9Å |
| 128 | Y | 92.3 | Very high | 90.4 | Very high | 144 Ų | 144 | 97.7 Ų | 97.7 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63 | -46.7 | 176.3 | 177.8 | -96.8 | 0 | 0 | 0 | 111.2 | A124 A125 L130 R131 K132 | A124-Y128 PolarHBondContact O-N 3.33Å; A125-Y128 PolarHBondContact O-N 3.49Å; Y128-L130 PolarHBondContact O-N 3.04Å; Y128-R131 PolarHBondContact O-N 3.02Å; Y128-K132 HydrophobicContact CE1-CG 4.02Å; Y128-K132 HydrophobicContact CE2-CG 4.46Å; Y128-K132 PolarHBondContact O-N 3Å; Y128-K132 WeakPolarHBondContact OH-CE 3.47Å |
| 129 | S | 92.8 | Very high | 91 | Very high | 74 Ų | 74 | 98.8 Ų | 98.8 | 52% | 0.517 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 176.1 | -61.5 | 0 | 0 | 0 | 0 | 112.2 | A125 A126 R131 K132 A133 | A125-S129 PolarHBondContact O-N 2.89Å; A125-S129 PolarHBondContact O-OG 2.98Å; A126-S129 PolarHBondContact O-N 3.14Å; S129-R131 PolarHBondContact O-N 3.15Å; S129-K132 PolarHBondContact O-N 3.41Å; S129-A133 PolarHBondContact O-N 2.82Å |
| 130 | L | 94.4 | Very high | 91.7 | Very high | 107 Ų | 107 | 99 Ų | 99 | 56% | 0.56 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.8 | -44.6 | 176.2 | 179.5 | 62.5 | 0 | 0 | 0 | 111.8 | A126 R127 Y128 K132 A133 L134 | A126-L130 WeakPolarHBondContact O-CB 3.4Å; A126-L130 PolarHBondContact O-N 3.33Å; R127-L130 PolarHBondContact O-N 2.97Å; Y128-L130 PolarHBondContact O-N 3.04Å; L130-K132 VanDerWaalsContact C-N 3.27Å; L130-K132 PolarHBondContact O-N 2.94Å; L130-A133 PolarHBondContact O-N 3.34Å; L130-L134 HydrophobicContact CD1-CD1 4.36Å; L130-L134 HydrophobicContact CD1-CG 4.32Å; L130-L134 HydrophobicContact CG-CD1 4.17Å; L130-L134 WeakPolarHBondContact O-CG 3.26Å; L130-L134 PolarHBondContact O-N 2.85Å |
| 131 | R | 95.9 | Very high | 92.6 | Very high | 189 Ų | 189 | 95.2 Ų | 95.2 | 71% | 0.713 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.4 | -40.8 | 176.8 | -175 | 178.3 | -179.9 | -177.1 | 0.6 | 111.4 | R127 Y128 S129 E135 | R127-R131 WeakPolarHBondContact O-CB 3.41Å; R127-R131 PolarHBondContact O-N 2.9Å; Y128-R131 PolarHBondContact O-N 3.02Å; S129-R131 PolarHBondContact O-N 3.15Å; R131-E135 WeakPolarHBondContact O-CB 3.37Å; R131-E135 PolarHBondContact O-N 2.86Å |
| 132 | K | 96.7 | Very high | 93.3 | Very high | 87 Ų | 87 | 97 Ų | 97 | 38% | 0.378 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.9 | -40.6 | 176.7 | -80.8 | -73.3 | 167.8 | -156.9 | 0 | 112.6 | Y128 S129 L130 E135 I136 | Y128-K132 HydrophobicContact CE1-CG 4.02Å; Y128-K132 HydrophobicContact CE2-CG 4.46Å; Y128-K132 PolarHBondContact O-N 3Å; Y128-K132 WeakPolarHBondContact OH-CE 3.47Å; S129-K132 PolarHBondContact O-N 3.41Å; L130-K132 VanDerWaalsContact C-N 3.27Å; L130-K132 PolarHBondContact O-N 2.94Å; K132-E135 IonicContact NZ-OE2 2.85Å; K132-E135 PolarHBondContact NZ-OE2 3.35Å; K132-E135 PolarHBondContact O-N 2.86Å; K132-I136 WeakPolarHBondContact O-CG1 3.39Å; K132-I136 PolarHBondContact O-N 2.82Å; K132-I136 VanDerWaalsContact O-N 3.1Å |
| 133 | A | 95.4 | Very high | 93.7 | Very high | 43 Ų | 43 | 98.2 Ų | 98.2 | 36% | 0.355 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.6 | -47.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S129 L130 E135 I136 E137 | S129-A133 PolarHBondContact O-N 2.82Å; L130-A133 PolarHBondContact O-N 3.34Å; A133-E135 VanDerWaalsContact C-N 3.32Å; A133-E135 PolarHBondContact O-N 3.22Å; A133-I136 WeakPolarHBondContact O-CB 3.32Å; A133-I136 PolarHBondContact O-N 3.4Å; A133-I136 VanDerWaalsContact O-N 3.14Å; A133-E137 PolarHBondContact O-N 3.35Å |
| 134 | L | 96.7 | Very high | 94.3 | Very high | 91 Ų | 91 | 102.5 Ų | 102.5 | 48% | 0.476 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.5 | -36.7 | 177.2 | -69.9 | 173.7 | 0 | 0 | 0 | 112.7 | L130 I136 E137 L138 | L130-L134 HydrophobicContact CD1-CD1 4.36Å; L130-L134 HydrophobicContact CD1-CG 4.32Å; L130-L134 HydrophobicContact CG-CD1 4.17Å; L130-L134 WeakPolarHBondContact O-CG 3.26Å; L130-L134 PolarHBondContact O-N 2.85Å; L134-I136 VanDerWaalsContact C-N 3.32Å; L134-I136 PolarHBondContact O-N 3.05Å; L134-E137 PolarHBondContact O-N 3.33Å; L134-L138 WeakPolarHBondContact O-CB 3.48Å; L134-L138 PolarHBondContact O-N 3.23Å |
| 135 | E | 95.8 | Very high | 94.8 | Very high | 95 Ų | 95 | 104.7 Ų | 104.7 | 44% | 0.444 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 174.4 | -172.8 | 174.1 | -157.6 | 0 | 0 | 111.1 | R131 K132 A133 L138 E139 | R131-E135 WeakPolarHBondContact O-CB 3.37Å; R131-E135 PolarHBondContact O-N 2.86Å; K132-E135 IonicContact NZ-OE2 2.85Å; K132-E135 PolarHBondContact NZ-OE2 3.35Å; K132-E135 PolarHBondContact O-N 2.86Å; A133-E135 VanDerWaalsContact C-N 3.32Å; A133-E135 PolarHBondContact O-N 3.22Å; E135-L138 PolarHBondContact O-N 3.46Å; E135-E139 PolarHBondContact O-N 3.47Å |
| 136 | I | 96.1 | Very high | 95.3 | Very high | 125 Ų | 125 | 106.5 Ų | 106.5 | 64% | 0.641 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.9 | -40.3 | 176 | -66.6 | 164.4 | 0 | 0 | 0 | 111.5 | K132 A133 L134 P140 | K132-I136 WeakPolarHBondContact O-CG1 3.39Å; K132-I136 PolarHBondContact O-N 2.82Å; K132-I136 VanDerWaalsContact O-N 3.1Å; A133-I136 WeakPolarHBondContact O-CB 3.32Å; A133-I136 PolarHBondContact O-N 3.4Å; A133-I136 VanDerWaalsContact O-N 3.14Å; L134-I136 VanDerWaalsContact C-N 3.32Å; L134-I136 PolarHBondContact O-N 3.05Å; I136-P140 WeakPolarHBondContact O-CD 3.41Å |
| 137 | E | 95.3 | Very high | 95.7 | Very high | 124 Ų | 124 | 108.3 Ų | 108.3 | 58% | 0.579 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -71 | -28.2 | 178.1 | -72.2 | 178.8 | 178.3 | 0 | 0 | 113.3 | A133 L134 P140 | A133-E137 PolarHBondContact O-N 3.35Å; L134-E137 PolarHBondContact O-N 3.33Å; E137-P140 WeakPolarHBondContact O-CD 3.42Å; E137-P140 VanDerWaalsContact O-CG 3.28Å; E137-P140 WeakPolarHBondContact O-CG 3.47Å |
| 138 | L | 97.1 | Very high | 96.1 | Very high | 88 Ų | 88 | 101.3 Ų | 101.3 | 46% | 0.461 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -79.9 | -29.1 | -176.6 | -169.1 | 116.1 | 0 | 0 | 0 | 113 | L134 E135 L141 K142 | L134-L138 WeakPolarHBondContact O-CB 3.48Å; L134-L138 PolarHBondContact O-N 3.23Å; E135-L138 PolarHBondContact O-N 3.46Å; L138-L141 PolarHBondContact O-N 2.83Å; L138-K142 HydrophobicContact CD2-CD 4.16Å; L138-K142 HydrophobicContact CD2-CG 4.44Å; L138-K142 WeakPolarHBondContact O-CG 3.35Å; L138-K142 PolarHBondContact O-N 2.96Å |
| 139 | E | 95.3 | Very high | 96.3 | Very high | 100 Ų | 100 | 98.4 Ų | 98.4 | 47% | 0.467 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.5 | -48.7 | 177 | -73.1 | -58.4 | 117.1 | 0 | 0 | 114.6 | E135 L141 K142 L143 | E135-E139 PolarHBondContact O-N 3.47Å; E139-L141 VanDerWaalsContact C-N 3.31Å; E139-L141 PolarHBondContact O-N 3.2Å; E139-K142 PolarHBondContact O-N 2.93Å; E139-K142 IonicContact OE1-NZ 2.74Å; E139-K142 PolarHBondContact OE1-NZ 2.94Å; E139-L143 PolarHBondContact O-N 2.78Å; E139-L143 VanDerWaalsContact O-N 3.12Å |
| 140 | P | 96.2 | Very high | 96.6 | Very high | 78 Ų | 78 | 100.9 Ų | 100.9 | 51% | 0.506 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.5 | -35.5 | 176.5 | 24.6 | -33.7 | 0 | 0 | 0 | 112.4 | I136 E137 K142 L143 E144 | I136-P140 WeakPolarHBondContact O-CD 3.41Å; E137-P140 WeakPolarHBondContact O-CD 3.42Å; E137-P140 VanDerWaalsContact O-CG 3.28Å; E137-P140 WeakPolarHBondContact O-CG 3.47Å; P140-K142 PolarHBondContact O-N 3.33Å; P140-L143 PolarHBondContact O-N 3.33Å; P140-E144 WeakPolarHBondContact O-CB 3.32Å; P140-E144 PolarHBondContact O-N 2.9Å |
| 141 | L | 96.6 | Very high | 96.7 | Very high | 108 Ų | 108 | 101.5 Ų | 101.5 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.6 | -38.8 | 176.7 | -69.9 | 174.8 | 0 | 0 | 0 | 112.2 | L138 E139 H145 | L138-L141 PolarHBondContact O-N 2.83Å; E139-L141 VanDerWaalsContact C-N 3.31Å; E139-L141 PolarHBondContact O-N 3.2Å; L141-H145 WeakPolarHBondContact O-CB 3.29Å; L141-H145 PolarHBondContact O-N 3.31Å |
| 142 | K | 97.3 | Very high | 96.7 | Very high | 111 Ų | 111 | 98.8 Ų | 98.8 | 48% | 0.483 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62 | -45.3 | 172.4 | -75.9 | 173.9 | 177.2 | 160.8 | 0 | 111.5 | L138 E139 P140 H145 E146 | L138-K142 HydrophobicContact CD2-CD 4.16Å; L138-K142 HydrophobicContact CD2-CG 4.44Å; L138-K142 WeakPolarHBondContact O-CG 3.35Å; L138-K142 PolarHBondContact O-N 2.96Å; E139-K142 PolarHBondContact O-N 2.93Å; E139-K142 IonicContact OE1-NZ 2.74Å; E139-K142 PolarHBondContact OE1-NZ 2.94Å; P140-K142 PolarHBondContact O-N 3.33Å; K142-H145 PolarHBondContact O-N 3.05Å; K142-E146 WeakPolarHBondContact O-CB 3.35Å; K142-E146 PolarHBondContact O-N 2.89Å |
| 143 | L | 97 | Very high | 96.8 | Very high | 107 Ų | 107 | 100.6 Ų | 100.6 | 56% | 0.56 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.1 | -43.4 | -179.1 | -166.8 | 102.7 | 0 | 0 | 0 | 111.4 | E139 P140 E146 Q147 | E139-L143 PolarHBondContact O-N 2.78Å; E139-L143 VanDerWaalsContact O-N 3.12Å; P140-L143 PolarHBondContact O-N 3.33Å; L143-E146 PolarHBondContact O-N 3.49Å; L143-Q147 WeakPolarHBondContact O-CB 3.34Å; L143-Q147 PolarHBondContact O-N 2.94Å |
| 144 | E | 96.8 | Very high | 96.9 | Very high | 129 Ų | 129 | 104.4 Ų | 104.4 | 60% | 0.603 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.7 | -44.3 | 176.1 | -174.7 | 179 | -179.2 | 0 | 0 | 111.2 | P140 Q147 A148 | P140-E144 WeakPolarHBondContact O-CB 3.32Å; P140-E144 PolarHBondContact O-N 2.9Å; E144-Q147 PolarHBondContact O-N 3.49Å; E144-A148 WeakPolarHBondContact O-CB 3.48Å; E144-A148 PolarHBondContact O-N 2.98Å |
| 145 | H | 97.5 | Very high | 96.9 | Very high | 100 Ų | 100 | 105.3 Ų | 105.3 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.3 | -46.2 | 176 | -177 | 73.5 | 0 | 0 | 0 | 112.2 | L141 K142 Q147 A148 E149 | L141-H145 WeakPolarHBondContact O-CB 3.29Å; L141-H145 PolarHBondContact O-N 3.31Å; K142-H145 PolarHBondContact O-N 3.05Å; H145-Q147 VanDerWaalsContact C-N 3.32Å; H145-Q147 PolarHBondContact O-N 2.91Å; H145-A148 PolarHBondContact O-N 3.42Å; H145-E149 IonicContact CE1-OE1 2.78Å; H145-E149 IonicContact NE2-OE1 3.87Å; H145-E149 PolarHBondContact NE2-OE1 3.01Å; H145-E149 WeakPolarHBondContact O-CG 3.22Å; H145-E149 PolarHBondContact O-N 3.29Å |
| 146 | E | 97.7 | Very high | 96.9 | Very high | 94 Ų | 94 | 104.3 Ų | 104.3 | 44% | 0.439 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 177.9 | -164.1 | -160 | 131.8 | 0 | 0 | 111.4 | K142 L143 E149 R150 | K142-E146 WeakPolarHBondContact O-CB 3.35Å; K142-E146 PolarHBondContact O-N 2.89Å; L143-E146 PolarHBondContact O-N 3.49Å; E146-E149 PolarHBondContact O-N 3.05Å; E146-R150 WeakPolarHBondContact O-CG 3.41Å; E146-R150 PolarHBondContact O-N 3.45Å; E146-R150 IonicContact OE1-CZ 3.28Å; E146-R150 IonicContact OE1-NE 3.36Å; E146-R150 PolarHBondContact OE1-NE 3.49Å; E146-R150 IonicContact OE1-NH2 3.82Å; E146-R150 PolarHBondContact OE1-NH2 3.44Å |
| 147 | Q | 97.4 | Very high | 97 | Very high | 98 Ų | 98 | 101.5 Ų | 101.5 | 46% | 0.458 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 175.6 | -177.1 | 173.5 | -4.2 | 0 | 0 | 111.9 | L143 E144 H145 E149 R150 Q151 | L143-Q147 WeakPolarHBondContact O-CB 3.34Å; L143-Q147 PolarHBondContact O-N 2.94Å; E144-Q147 PolarHBondContact O-N 3.49Å; H145-Q147 VanDerWaalsContact C-N 3.32Å; H145-Q147 PolarHBondContact O-N 2.91Å; Q147-E149 VanDerWaalsContact C-N 3.33Å; Q147-E149 PolarHBondContact O-N 3.38Å; Q147-R150 PolarHBondContact O-N 3.31Å; Q147-Q151 PolarHBondContact O-N 3Å |
| 148 | A | 97.3 | Very high | 97.1 | Very high | 36 Ų | 36 | 100.6 Ų | 100.6 | 30% | 0.298 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.5 | -36.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | E144 H145 R152 | E144-A148 WeakPolarHBondContact O-CB 3.48Å; E144-A148 PolarHBondContact O-N 2.98Å; H145-A148 PolarHBondContact O-N 3.42Å; A148-R152 WeakPolarHBondContact O-CG 3.44Å; A148-R152 PolarHBondContact O-N 3.08Å; A148-R152 PolarHBondContact O-NE 2.77Å |
| 149 | E | 97.6 | Very high | 97.1 | Very high | 83 Ų | 83 | 100.1 Ų | 100.1 | 39% | 0.388 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.9 | -45 | 171.8 | -76.9 | -164.6 | 153.4 | 0 | 0 | 112.5 | H145 E146 Q147 Q151 R152 Q153 | H145-E149 IonicContact CE1-OE1 2.78Å; H145-E149 IonicContact NE2-OE1 3.87Å; H145-E149 PolarHBondContact NE2-OE1 3.01Å; H145-E149 WeakPolarHBondContact O-CG 3.22Å; H145-E149 PolarHBondContact O-N 3.29Å; E146-E149 PolarHBondContact O-N 3.05Å; Q147-E149 VanDerWaalsContact C-N 3.33Å; Q147-E149 PolarHBondContact O-N 3.38Å; E149-Q151 VanDerWaalsContact C-N 3.31Å; E149-Q151 PolarHBondContact O-N 3.48Å; E149-R152 VanDerWaalsContact CG-NH2 3.27Å; E149-R152 PolarHBondContact O-N 2.91Å; E149-Q153 WeakPolarHBondContact O-CG 3.32Å; E149-Q153 PolarHBondContact O-N 3.47Å |
| 150 | R | 97.6 | Very high | 97.2 | Very high | 125 Ų | 125 | 100.8 Ų | 100.8 | 47% | 0.472 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.4 | -41.7 | 175.3 | -74.8 | -170.6 | -105.2 | 138.6 | -8.2 | 112 | E146 Q147 Q153 L154 | E146-R150 WeakPolarHBondContact O-CG 3.41Å; E146-R150 PolarHBondContact O-N 3.45Å; E146-R150 IonicContact OE1-CZ 3.28Å; E146-R150 IonicContact OE1-NE 3.36Å; E146-R150 PolarHBondContact OE1-NE 3.49Å; E146-R150 IonicContact OE1-NH2 3.82Å; E146-R150 PolarHBondContact OE1-NH2 3.44Å; Q147-R150 PolarHBondContact O-N 3.31Å; R150-Q153 PolarHBondContact O-N 2.98Å; R150-L154 WeakPolarHBondContact O-CG 3.49Å; R150-L154 PolarHBondContact O-N 3.27Å |
| 151 | Q | 97.2 | Very high | 97.3 | Very high | 120 Ų | 120 | 101.9 Ų | 101.9 | 56% | 0.561 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.2 | -43 | 175.8 | -75.8 | -178.4 | -11.4 | 0 | 0 | 112.5 | Q147 E149 Q153 L154 Q155 | Q147-Q151 PolarHBondContact O-N 3Å; E149-Q151 VanDerWaalsContact C-N 3.31Å; E149-Q151 PolarHBondContact O-N 3.48Å; Q151-Q153 VanDerWaalsContact C-N 3.35Å; Q151-Q153 PolarHBondContact O-N 3.34Å; Q151-L154 PolarHBondContact O-N 3.33Å; Q151-Q155 PolarHBondContact O-N 3.1Å |
| 152 | R | 97 | Very high | 97.3 | Very high | 133 Ų | 133 | 103.1 Ų | 103.1 | 50% | 0.502 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 175.3 | -76 | -177.1 | -72.9 | -172.2 | 2.5 | 111.9 | A148 E149 Q155 V156 | A148-R152 WeakPolarHBondContact O-CG 3.44Å; A148-R152 PolarHBondContact O-N 3.08Å; A148-R152 PolarHBondContact O-NE 2.77Å; E149-R152 VanDerWaalsContact CG-NH2 3.27Å; E149-R152 PolarHBondContact O-N 2.91Å; R152-Q155 PolarHBondContact O-N 3.23Å; R152-V156 WeakPolarHBondContact O-CG2 3.42Å; R152-V156 PolarHBondContact O-N 3.02Å |
| 153 | Q | 97.2 | Very high | 97.3 | Very high | 124 Ų | 124 | 104.6 Ų | 104.6 | 58% | 0.579 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.9 | -44.8 | 176.3 | -72.7 | 174.7 | 8.1 | 0 | 0 | 111.7 | E149 R150 Q151 Q155 V156 T157 | E149-Q153 WeakPolarHBondContact O-CG 3.32Å; E149-Q153 PolarHBondContact O-N 3.47Å; R150-Q153 PolarHBondContact O-N 2.98Å; Q151-Q153 VanDerWaalsContact C-N 3.35Å; Q151-Q153 PolarHBondContact O-N 3.34Å; Q153-Q155 VanDerWaalsContact C-N 3.31Å; Q153-Q155 PolarHBondContact O-N 3.28Å; Q153-V156 PolarHBondContact O-N 3.36Å; Q153-T157 PolarHBondContact O-N 2.99Å; Q153-T157 PolarHBondContact O-OG1 2.96Å |
| 154 | L | 97.6 | Very high | 97.3 | Very high | 123 Ų | 123 | 107 Ų | 107 | 64% | 0.644 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59.9 | -41.8 | 175.6 | -73.7 | 170.9 | 0 | 0 | 0 | 112.1 | R150 Q151 T157 H158 | R150-L154 WeakPolarHBondContact O-CG 3.49Å; R150-L154 PolarHBondContact O-N 3.27Å; Q151-L154 PolarHBondContact O-N 3.33Å; L154-T157 PolarHBondContact O-N 3.43Å; L154-H158 WeakPolarHBondContact O-CB 3.41Å; L154-H158 PolarHBondContact O-N 2.88Å |
| 155 | Q | 97.4 | Very high | 97.3 | Very high | 111 Ų | 111 | 106.4 Ų | 106.4 | 52% | 0.519 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 176.1 | -177 | 178.8 | -6.2 | 0 | 0 | 111.5 | Q151 R152 Q153 T157 H158 E159 | Q151-Q155 PolarHBondContact O-N 3.1Å; R152-Q155 PolarHBondContact O-N 3.23Å; Q153-Q155 VanDerWaalsContact C-N 3.31Å; Q153-Q155 PolarHBondContact O-N 3.28Å; Q155-T157 VanDerWaalsContact C-N 3.35Å; Q155-T157 PolarHBondContact O-N 2.95Å; Q155-H158 PolarHBondContact O-N 2.92Å; Q155-E159 HydrophobicContact CG-CG 4.47Å; Q155-E159 WeakPolarHBondContact CG-OE1 3.48Å; Q155-E159 PolarHBondContact NE2-OE1 2.85Å; Q155-E159 WeakPolarHBondContact O-CB 3.3Å; Q155-E159 WeakPolarHBondContact O-CG 3.4Å; Q155-E159 PolarHBondContact O-N 3.38Å |
| 156 | V | 97 | Very high | 97.3 | Very high | 73 Ų | 73 | 107 Ų | 107 | 44% | 0.442 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.1 | -44 | 178 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | R152 Q153 E159 Q160 | R152-V156 WeakPolarHBondContact O-CG2 3.42Å; R152-V156 PolarHBondContact O-N 3.02Å; Q153-V156 PolarHBondContact O-N 3.36Å; V156-E159 PolarHBondContact O-N 3.48Å; V156-Q160 VanDerWaalsContact O-CG 3.3Å; V156-Q160 WeakPolarHBondContact O-CG 3.32Å; V156-Q160 PolarHBondContact O-N 2.7Å |
| 157 | T | 97.3 | Very high | 97.3 | Very high | 66 Ų | 66 | 107.8 Ų | 107.8 | 41% | 0.405 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 176.7 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | Q153 L154 Q155 E159 Q160 E161 | Q153-T157 PolarHBondContact O-N 2.99Å; Q153-T157 PolarHBondContact O-OG1 2.96Å; L154-T157 PolarHBondContact O-N 3.43Å; Q155-T157 VanDerWaalsContact C-N 3.35Å; Q155-T157 PolarHBondContact O-N 2.95Å; T157-E159 PolarHBondContact O-N 3.45Å; T157-Q160 PolarHBondContact O-N 3.03Å; T157-E161 WeakPolarHBondContact O-CG 3.45Å; T157-E161 PolarHBondContact O-N 3.42Å |
| 158 | H | 97.8 | Very high | 97.3 | Very high | 105 Ų | 105 | 108.4 Ų | 108.4 | 49% | 0.486 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 178 | -177.8 | 59.4 | 0 | 0 | 0 | 112.3 | L154 Q155 E161 R162 | L154-H158 WeakPolarHBondContact O-CB 3.41Å; L154-H158 PolarHBondContact O-N 2.88Å; Q155-H158 PolarHBondContact O-N 2.92Å; H158-E161 PolarHBondContact O-N 3.19Å; H158-R162 WeakPolarHBondContact O-CG 3.39Å; H158-R162 PolarHBondContact O-N 2.93Å |
| 159 | E | 97.3 | Very high | 97.2 | Very high | 78 Ų | 78 | 113.2 Ų | 113.2 | 36% | 0.364 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 175 | -74.7 | 175 | -171.2 | 0 | 0 | 111.5 | Q155 V156 T157 E161 R162 F163 | Q155-E159 HydrophobicContact CG-CG 4.47Å; Q155-E159 WeakPolarHBondContact CG-OE1 3.48Å; Q155-E159 PolarHBondContact NE2-OE1 2.85Å; Q155-E159 WeakPolarHBondContact O-CB 3.3Å; Q155-E159 WeakPolarHBondContact O-CG 3.4Å; Q155-E159 PolarHBondContact O-N 3.38Å; V156-E159 PolarHBondContact O-N 3.48Å; T157-E159 PolarHBondContact O-N 3.45Å; E159-E161 PolarHBondContact O-N 3.38Å; E159-R162 PolarHBondContact O-N 3Å; E159-F163 WeakPolarHBondContact O-CD2 3.46Å; E159-F163 PolarHBondContact O-N 3.03Å |
| 160 | Q | 97.5 | Very high | 97.2 | Very high | 115 Ų | 115 | 113.3 Ų | 113.3 | 54% | 0.537 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 175.9 | -74.4 | 177.1 | 1.3 | 0 | 0 | 112.9 | V156 T157 F163 R164 | V156-Q160 VanDerWaalsContact O-CG 3.3Å; V156-Q160 WeakPolarHBondContact O-CG 3.32Å; V156-Q160 PolarHBondContact O-N 2.7Å; T157-Q160 PolarHBondContact O-N 3.03Å; Q160-F163 PolarHBondContact O-N 3.34Å; Q160-R164 WeakPolarHBondContact O-CB 3.35Å; Q160-R164 PolarHBondContact O-N 3.46Å |
| 161 | E | 96.9 | Very high | 97.2 | Very high | 101 Ų | 101 | 111.4 Ų | 111.4 | 47% | 0.472 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.5 | -46.6 | 175.4 | -74.8 | 175.7 | 172 | 0 | 0 | 111 | T157 H158 E159 F163 R164 E165 | T157-E161 WeakPolarHBondContact O-CG 3.45Å; T157-E161 PolarHBondContact O-N 3.42Å; H158-E161 PolarHBondContact O-N 3.19Å; E159-E161 PolarHBondContact O-N 3.38Å; E161-F163 PolarHBondContact O-N 3.36Å; E161-R164 WeakPolarHBondContact O-CB 3.39Å; E161-R164 PolarHBondContact O-N 2.88Å; E161-R164 VanDerWaalsContact O-N 3.1Å; E161-E165 WeakPolarHBondContact O-CG 3.45Å; E161-E165 PolarHBondContact O-N 3.07Å |
| 162 | R | 96.9 | Very high | 97.2 | Very high | 134 Ų | 134 | 110.4 Ų | 110.4 | 51% | 0.506 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.4 | -45.5 | 175.5 | -73.9 | -144.5 | -59.7 | -174 | -1.1 | 112.7 | H158 E159 R164 E165 E166 | H158-R162 WeakPolarHBondContact O-CG 3.39Å; H158-R162 PolarHBondContact O-N 2.93Å; E159-R162 PolarHBondContact O-N 3Å; R162-R164 VanDerWaalsContact C-N 3.27Å; R162-R164 PolarHBondContact O-N 3.25Å; R162-E165 PolarHBondContact O-N 3.41Å; R162-E166 WeakPolarHBondContact O-CB 3.26Å; R162-E166 WeakPolarHBondContact O-CG 3.4Å; R162-E166 PolarHBondContact O-N 3.26Å |
| 163 | F | 97 | Very high | 97.2 | Very high | 142 Ų | 142 | 110.3 Ų | 110.3 | 62% | 0.623 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62 | -35.5 | 176.9 | -81.4 | -61.3 | 0 | 0 | 0 | 112.7 | E159 Q160 E161 L167 | E159-F163 WeakPolarHBondContact O-CD2 3.46Å; E159-F163 PolarHBondContact O-N 3.03Å; Q160-F163 PolarHBondContact O-N 3.34Å; E161-F163 PolarHBondContact O-N 3.36Å; F163-L167 WeakPolarHBondContact O-CB 3.42Å; F163-L167 PolarHBondContact O-N 2.95Å |
| 164 | R | 97.9 | Very high | 97.2 | Very high | 158 Ų | 158 | 112.4 Ų | 112.4 | 60% | 0.596 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.5 | -48.2 | 176.2 | -174.4 | -169.5 | -56 | -101.9 | -2.1 | 111.2 | Q160 E161 R162 E166 L167 E168 | Q160-R164 WeakPolarHBondContact O-CB 3.35Å; Q160-R164 PolarHBondContact O-N 3.46Å; E161-R164 WeakPolarHBondContact O-CB 3.39Å; E161-R164 PolarHBondContact O-N 2.88Å; E161-R164 VanDerWaalsContact O-N 3.1Å; R162-R164 VanDerWaalsContact C-N 3.27Å; R162-R164 PolarHBondContact O-N 3.25Å; R164-E166 VanDerWaalsContact C-N 3.34Å; R164-E166 PolarHBondContact O-N 2.86Å; R164-L167 WeakPolarHBondContact O-CB 3.5Å; R164-L167 PolarHBondContact O-N 2.95Å; R164-E168 WeakPolarHBondContact O-CG 3.31Å; R164-E168 PolarHBondContact O-N 2.81Å |
| 165 | E | 96.3 | Very high | 97.2 | Very high | 115 Ų | 115 | 111.9 Ų | 111.9 | 54% | 0.537 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 177.6 | -70.4 | 176.4 | 177.6 | 0 | 0 | 111.6 | E161 R162 L167 E168 Q169 | E161-E165 WeakPolarHBondContact O-CG 3.45Å; E161-E165 PolarHBondContact O-N 3.07Å; R162-E165 PolarHBondContact O-N 3.41Å; E165-L167 VanDerWaalsContact C-N 3.32Å; E165-L167 PolarHBondContact O-N 3.16Å; E165-E168 PolarHBondContact O-N 2.85Å; E165-Q169 WeakPolarHBondContact O-CG 3.46Å; E165-Q169 PolarHBondContact O-N 2.96Å |
| 166 | E | 97.1 | Very high | 97.1 | Very high | 112 Ų | 112 | 111 Ų | 111 | 52% | 0.523 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.5 | -40.3 | 175.7 | -75.3 | 178.9 | -175.4 | 0 | 0 | 112.1 | R162 R164 Q169 L170 | R162-E166 WeakPolarHBondContact O-CB 3.26Å; R162-E166 WeakPolarHBondContact O-CG 3.4Å; R162-E166 PolarHBondContact O-N 3.26Å; R164-E166 VanDerWaalsContact C-N 3.34Å; R164-E166 PolarHBondContact O-N 2.86Å; E166-Q169 PolarHBondContact O-N 2.81Å; E166-L170 WeakPolarHBondContact O-CB 3.36Å; E166-L170 PolarHBondContact O-N 2.83Å |
| 167 | L | 97.3 | Very high | 97 | Very high | 112 Ų | 112 | 111.6 Ų | 111.6 | 59% | 0.586 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.1 | -43.6 | 176.1 | -174.1 | 67.8 | 0 | 0 | 0 | 111.6 | F163 R164 E165 L170 V171 | F163-L167 WeakPolarHBondContact O-CB 3.42Å; F163-L167 PolarHBondContact O-N 2.95Å; R164-L167 WeakPolarHBondContact O-CB 3.5Å; R164-L167 PolarHBondContact O-N 2.95Å; E165-L167 VanDerWaalsContact C-N 3.32Å; E165-L167 PolarHBondContact O-N 3.16Å; L167-L170 WeakPolarHBondContact O-CB 3.21Å; L167-L170 PolarHBondContact O-N 2.68Å; L167-V171 WeakPolarHBondContact O-CG2 3.11Å; L167-V171 PolarHBondContact O-N 2.9Å |
| 168 | E | 97.2 | Very high | 96.9 | Very high | 111 Ų | 111 | 113.1 Ų | 113.1 | 52% | 0.519 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.5 | -44 | 175.9 | -74.7 | 175.8 | -168 | 0 | 0 | 111.5 | R164 E165 L170 V171 L172 | R164-E168 WeakPolarHBondContact O-CG 3.31Å; R164-E168 PolarHBondContact O-N 2.81Å; E165-E168 PolarHBondContact O-N 2.85Å; E168-L170 VanDerWaalsContact C-N 3.32Å; E168-L170 PolarHBondContact O-N 3.34Å; E168-V171 PolarHBondContact O-N 3.08Å; E168-L172 WeakPolarHBondContact O-CG 3.29Å; E168-L172 PolarHBondContact O-N 3.29Å |
| 169 | Q | 97 | Very high | 96.8 | Very high | 137 Ų | 137 | 112.4 Ų | 112.4 | 64% | 0.64 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.2 | -40 | 174.3 | -74.7 | -173.1 | 11.9 | 0 | 0 | 112.2 | E165 E166 V171 L172 K173 | E165-Q169 WeakPolarHBondContact O-CG 3.46Å; E165-Q169 PolarHBondContact O-N 2.96Å; E166-Q169 PolarHBondContact O-N 2.81Å; Q169-V171 VanDerWaalsContact C-N 3.34Å; Q169-L172 PolarHBondContact O-N 2.84Å; Q169-K173 VanDerWaalsContact O-CB 3.29Å; Q169-K173 WeakPolarHBondContact O-CB 3.46Å; Q169-K173 PolarHBondContact O-N 3.34Å |
| 170 | L | 97.7 | Very high | 96.6 | Very high | 85 Ų | 85 | 111.7 Ų | 111.7 | 45% | 0.445 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.1 | -38.9 | 177 | -171.4 | 72.2 | 0 | 0 | 0 | 111.8 | E166 L167 E168 R174 | E166-L170 WeakPolarHBondContact O-CB 3.36Å; E166-L170 PolarHBondContact O-N 2.83Å; L167-L170 WeakPolarHBondContact O-CB 3.21Å; L167-L170 PolarHBondContact O-N 2.68Å; E168-L170 VanDerWaalsContact C-N 3.32Å; E168-L170 PolarHBondContact O-N 3.34Å; L170-R174 WeakPolarHBondContact O-CG 3.44Å; L170-R174 PolarHBondContact O-N 2.96Å; L170-R174 VanDerWaalsContact O-N 3.11Å |
| 171 | V | 97.4 | Very high | 96.3 | Very high | 85 Ų | 85 | 111.6 Ų | 111.6 | 52% | 0.515 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.6 | -49.9 | 176.2 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | L167 E168 Q169 K173 R174 E175 | L167-V171 WeakPolarHBondContact O-CG2 3.11Å; L167-V171 PolarHBondContact O-N 2.9Å; E168-V171 PolarHBondContact O-N 3.08Å; Q169-V171 VanDerWaalsContact C-N 3.34Å; V171-K173 VanDerWaalsContact C-N 3.28Å; V171-K173 PolarHBondContact O-N 3.3Å; V171-R174 PolarHBondContact O-N 2.67Å; V171-R174 VanDerWaalsContact O-N 3.14Å; V171-E175 PolarHBondContact O-N 3.01Å |
| 172 | L | 96.5 | Very high | 96.1 | Very high | 99 Ų | 99 | 112 Ų | 112 | 52% | 0.518 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.6 | -41.4 | 177 | -73.6 | 171.3 | 0 | 0 | 0 | 111.7 | E168 Q169 R174 E175 I176 | E168-L172 WeakPolarHBondContact O-CG 3.29Å; E168-L172 PolarHBondContact O-N 3.29Å; Q169-L172 PolarHBondContact O-N 2.84Å; L172-R174 PolarHBondContact O-N 3.29Å; L172-E175 PolarHBondContact O-N 2.86Å; L172-I176 WeakPolarHBondContact O-CG1 3.32Å; L172-I176 PolarHBondContact O-N 3.5Å |
| 173 | K | 97.4 | Very high | 95.6 | Very high | 130 Ų | 130 | 110.3 Ų | 110.3 | 57% | 0.565 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.4 | -44.9 | 176.2 | -175.8 | 175 | -179.5 | 178 | 0 | 112 | Q169 V171 E175 I176 D177 | Q169-K173 VanDerWaalsContact O-CB 3.29Å; Q169-K173 WeakPolarHBondContact O-CB 3.46Å; Q169-K173 PolarHBondContact O-N 3.34Å; V171-K173 VanDerWaalsContact C-N 3.28Å; V171-K173 PolarHBondContact O-N 3.3Å; K173-E175 VanDerWaalsContact C-N 3.31Å; K173-E175 PolarHBondContact O-N 3.14Å; K173-I176 PolarHBondContact O-N 3.49Å; K173-D177 VanDerWaalsContact O-CG 3.23Å; K173-D177 PolarHBondContact O-N 2.91Å |
| 174 | R | 96.5 | Very high | 95.2 | Very high | 168 Ų | 168 | 111.1 Ų | 111.1 | 63% | 0.634 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.3 | -38.3 | 176.3 | -73.8 | 179.4 | -175.7 | -158.4 | 2.2 | 112.2 | L170 V171 L172 D177 V178 | L170-R174 WeakPolarHBondContact O-CG 3.44Å; L170-R174 PolarHBondContact O-N 2.96Å; L170-R174 VanDerWaalsContact O-N 3.11Å; V171-R174 PolarHBondContact O-N 2.67Å; V171-R174 VanDerWaalsContact O-N 3.14Å; L172-R174 PolarHBondContact O-N 3.29Å; R174-D177 PolarHBondContact O-N 3.12Å; R174-V178 WeakPolarHBondContact O-CG2 3.4Å; R174-V178 PolarHBondContact O-N 2.9Å |
| 175 | E | 97.2 | Very high | 94.5 | Very high | 112 Ų | 112 | 106.1 Ų | 106.1 | 52% | 0.523 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 177.4 | -172.1 | 170.1 | -166.5 | 0 | 0 | 111.2 | V171 L172 K173 V178 L179 | V171-E175 PolarHBondContact O-N 3.01Å; L172-E175 PolarHBondContact O-N 2.86Å; K173-E175 VanDerWaalsContact C-N 3.31Å; K173-E175 PolarHBondContact O-N 3.14Å; E175-V178 PolarHBondContact O-N 2.81Å; E175-L179 HydrophobicContact CG-CD1 4.47Å; E175-L179 WeakPolarHBondContact O-CG 3.35Å; E175-L179 PolarHBondContact O-N 2.66Å |
| 176 | I | 95.4 | Very high | 93.9 | Very high | 92 Ų | 92 | 104.9 Ų | 104.9 | 47% | 0.472 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.1 | -47.5 | 172.8 | -66.3 | 164.9 | 0 | 0 | 0 | 110.7 | L172 K173 V178 L179 D180 | L172-I176 WeakPolarHBondContact O-CG1 3.32Å; L172-I176 PolarHBondContact O-N 3.5Å; K173-I176 PolarHBondContact O-N 3.49Å; I176-V178 PolarHBondContact O-N 2.85Å; I176-L179 PolarHBondContact O-N 3.41Å; I176-L179 VanDerWaalsContact O-N 3.09Å; I176-D180 WeakPolarHBondContact O-CB 3.48Å; I176-D180 PolarHBondContact O-N 3.15Å |
| 177 | D | 95.5 | Very high | 92.8 | Very high | 87 Ų | 87 | 106.7 Ų | 106.7 | 47% | 0.465 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.5 | -36.1 | 179.1 | -68.8 | -26.4 | 0 | 0 | 0 | 111.9 | K173 R174 E181 | K173-D177 VanDerWaalsContact O-CG 3.23Å; K173-D177 PolarHBondContact O-N 2.91Å; R174-D177 PolarHBondContact O-N 3.12Å; D177-E181 WeakPolarHBondContact O-CB 3.49Å; D177-E181 PolarHBondContact O-N 3.28Å; D177-E181 VanDerWaalsContact O-N 3.14Å |
| 178 | V | 95.3 | Very high | 91.7 | Very high | 97 Ų | 97 | 110.5 Ų | 110.5 | 59% | 0.588 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.8 | -43.2 | 175.2 | 169.9 | 0 | 0 | 0 | 0 | 111.6 | R174 E175 I176 E181 Q182 | R174-V178 WeakPolarHBondContact O-CG2 3.4Å; R174-V178 PolarHBondContact O-N 2.9Å; E175-V178 PolarHBondContact O-N 2.81Å; I176-V178 PolarHBondContact O-N 2.85Å; V178-E181 PolarHBondContact O-N 3.31Å; V178-Q182 WeakPolarHBondContact O-CB 3.38Å; V178-Q182 PolarHBondContact O-N 2.92Å |
| 179 | L | 94.6 | Very high | 89.9 | Confident | 91 Ų | 91 | 110.4 Ų | 110.4 | 48% | 0.476 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 177.5 | -70.5 | 173.1 | 0 | 0 | 0 | 111.5 | E175 I176 E181 Q182 E183 | E175-L179 HydrophobicContact CG-CD1 4.47Å; E175-L179 WeakPolarHBondContact O-CG 3.35Å; E175-L179 PolarHBondContact O-N 2.66Å; I176-L179 PolarHBondContact O-N 3.41Å; I176-L179 VanDerWaalsContact O-N 3.09Å; L179-E181 VanDerWaalsContact C-N 3.33Å; L179-E181 PolarHBondContact O-N 2.95Å; L179-Q182 PolarHBondContact O-N 3.27Å; L179-E183 WeakPolarHBondContact O-CB 3.35Å; L179-E183 PolarHBondContact O-N 3.31Å |
| 180 | D | 93.7 | Very high | 88.1 | Confident | 62 Ų | 62 | 109.1 Ų | 109.1 | 33% | 0.332 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 175.9 | -80 | 8 | 0 | 0 | 0 | 111.1 | I176 E183 R184 | I176-D180 WeakPolarHBondContact O-CB 3.48Å; I176-D180 PolarHBondContact O-N 3.15Å; D180-E183 PolarHBondContact O-N 2.93Å; D180-R184 WeakPolarHBondContact O-CB 3.33Å; D180-R184 VanDerWaalsContact O-CG 3.24Å; D180-R184 WeakPolarHBondContact O-CG 3.47Å; D180-R184 PolarHBondContact O-N 3.3Å |
| 181 | E | 91.6 | Very high | 86.1 | Confident | 114 Ų | 114 | 113.4 Ų | 113.4 | 53% | 0.533 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69.1 | -37.7 | 176.8 | -167.8 | 60.4 | -153.4 | 0 | 0 | 111.8 | D177 V178 L179 R184 S185 | D177-E181 WeakPolarHBondContact O-CB 3.49Å; D177-E181 PolarHBondContact O-N 3.28Å; D177-E181 VanDerWaalsContact O-N 3.14Å; V178-E181 PolarHBondContact O-N 3.31Å; L179-E181 VanDerWaalsContact C-N 3.33Å; L179-E181 PolarHBondContact O-N 2.95Å; E181-R184 PolarHBondContact O-N 3.28Å; E181-R184 IonicContact OE2-NH1 3.81Å; E181-S185 WeakPolarHBondContact O-CB 3.33Å; E181-S185 PolarHBondContact O-N 2.88Å |
| 182 | Q | 92.1 | Very high | 84 | Confident | 109 Ų | 109 | 115.8 Ų | 115.8 | 51% | 0.509 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64 | -44.3 | 173.7 | -174.8 | 176.5 | 2.2 | 0 | 0 | 111.3 | V178 L179 S185 I186 | V178-Q182 WeakPolarHBondContact O-CB 3.38Å; V178-Q182 PolarHBondContact O-N 2.92Å; L179-Q182 PolarHBondContact O-N 3.27Å; Q182-S185 WeakPolarHBondContact O-CB 3.46Å; Q182-S185 PolarHBondContact O-N 3.28Å; Q182-S185 VanDerWaalsContact O-N 3.16Å; Q182-S185 PolarHBondContact O-OG 3.25Å; Q182-I186 HydrophobicContact CG-CD1 4.47Å; Q182-I186 WeakPolarHBondContact O-CG1 3.43Å; Q182-I186 PolarHBondContact O-N 2.88Å; Q182-I186 VanDerWaalsContact O-N 3.09Å |
| 183 | E | 88.1 | Confident | 81.4 | Confident | 99 Ų | 99 | 116.6 Ų | 116.6 | 46% | 0.463 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.5 | -49.1 | 175.9 | -176.3 | 178.2 | -159.5 | 0 | 0 | 110.9 | L179 D180 S185 I186 Y187 | L179-E183 WeakPolarHBondContact O-CB 3.35Å; L179-E183 PolarHBondContact O-N 3.31Å; D180-E183 PolarHBondContact O-N 2.93Å; E183-S185 PolarHBondContact O-N 3.41Å; E183-I186 PolarHBondContact O-N 3.22Å; E183-I186 VanDerWaalsContact O-N 3.08Å; E183-Y187 HydrophobicContact CG-CD2 3.78Å; E183-Y187 HydrophobicContact CG-CE2 3.5Å; E183-Y187 VanDerWaalsContact CG-CE2 3.5Å; E183-Y187 VanDerWaalsContact O-CD2 3.27Å; E183-Y187 WeakPolarHBondContact O-CD2 3.35Å; E183-Y187 PolarHBondContact O-N 3.4Å; E183-Y187 VanDerWaalsContact O-N 3.13Å |
| 184 | R | 87 | Confident | 78.8 | Confident | 159 Ų | 159 | 116.4 Ų | 116.4 | 60% | 0.6 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -57 | -36.7 | 174.7 | -73.1 | 171.4 | -173.6 | 174.3 | 6.1 | 112.4 | D180 E181 R188 | D180-R184 WeakPolarHBondContact O-CB 3.33Å; D180-R184 VanDerWaalsContact O-CG 3.24Å; D180-R184 WeakPolarHBondContact O-CG 3.47Å; D180-R184 PolarHBondContact O-N 3.3Å; E181-R184 PolarHBondContact O-N 3.28Å; E181-R184 IonicContact OE2-NH1 3.81Å; R184-R188 WeakPolarHBondContact O-CB 3.44Å; R184-R188 PolarHBondContact O-N 3.01Å |
| 185 | S | 84.1 | Confident | 76.4 | Confident | 52 Ų | 52 | 115.8 Ų | 115.8 | 36% | 0.364 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.5 | -35.8 | 177.5 | 84.2 | 0 | 0 | 0 | 0 | 113 | E181 Q182 E183 N189 | E181-S185 WeakPolarHBondContact O-CB 3.33Å; E181-S185 PolarHBondContact O-N 2.88Å; Q182-S185 WeakPolarHBondContact O-CB 3.46Å; Q182-S185 PolarHBondContact O-N 3.28Å; Q182-S185 VanDerWaalsContact O-N 3.16Å; Q182-S185 PolarHBondContact O-OG 3.25Å; E183-S185 PolarHBondContact O-N 3.41Å; S185-N189 PolarHBondContact O-N 2.77Å; S185-N189 PolarHBondContact O-ND2 3.13Å |
| 186 | I | 82.8 | Confident | 73.8 | Confident | 89 Ų | 89 | 121.4 Ų | 121.4 | 46% | 0.456 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.4 | -51.5 | 177.7 | -66.5 | 165.3 | 0 | 0 | 0 | 109.7 | Q182 E183 R188 N189 D190 | Q182-I186 HydrophobicContact CG-CD1 4.47Å; Q182-I186 WeakPolarHBondContact O-CG1 3.43Å; Q182-I186 PolarHBondContact O-N 2.88Å; Q182-I186 VanDerWaalsContact O-N 3.09Å; E183-I186 PolarHBondContact O-N 3.22Å; E183-I186 VanDerWaalsContact O-N 3.08Å; I186-R188 VanDerWaalsContact C-N 3.31Å; I186-R188 PolarHBondContact O-N 2.91Å; I186-N189 PolarHBondContact O-N 2.84Å; I186-D190 PolarHBondContact O-N 3.39Å |
| 187 | Y | 74.6 | Confident | 71.3 | Confident | 151 Ų | 151 | 123.9 Ų | 123.9 | 59% | 0.592 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63.7 | -35.9 | -179.5 | -73.9 | -68.3 | 0 | 0 | 0 | 112.7 | E183 N189 D190 E191 | E183-Y187 HydrophobicContact CG-CD2 3.78Å; E183-Y187 HydrophobicContact CG-CE2 3.5Å; E183-Y187 VanDerWaalsContact CG-CE2 3.5Å; E183-Y187 VanDerWaalsContact O-CD2 3.27Å; E183-Y187 WeakPolarHBondContact O-CD2 3.35Å; E183-Y187 PolarHBondContact O-N 3.4Å; E183-Y187 VanDerWaalsContact O-N 3.13Å; Y187-N189 VanDerWaalsContact C-N 3.27Å; Y187-N189 PolarHBondContact O-N 2.85Å; Y187-D190 PolarHBondContact O-N 2.93Å; Y187-E191 PolarHBondContact O-N 2.89Å |
| 188 | R | 74.3 | Confident | 69 | Low | 192 Ų | 192 | 129.3 Ų | 129.3 | 73% | 0.725 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63.7 | -32.1 | 173.3 | -178.6 | -178.6 | -99.2 | -179.2 | -4.2 | 112.5 | R184 I186 | R184-R188 WeakPolarHBondContact O-CB 3.44Å; R184-R188 PolarHBondContact O-N 3.01Å; I186-R188 VanDerWaalsContact C-N 3.31Å; I186-R188 PolarHBondContact O-N 2.91Å |
| 189 | N | 59.7 | Low | 66.8 | Low | 108 Ų | 108 | 130.3 Ų | 130.3 | 58% | 0.578 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -78.6 | -34.6 | 177.6 | -75 | -27.2 | 0 | 0 | 0 | 112.5 | S185 I186 Y187 L192 | S185-N189 PolarHBondContact O-N 2.77Å; S185-N189 PolarHBondContact O-ND2 3.13Å; I186-N189 PolarHBondContact O-N 2.84Å; Y187-N189 VanDerWaalsContact C-N 3.27Å; Y187-N189 PolarHBondContact O-N 2.85Å; N189-L192 PolarHBondContact O-N 3.47Å |
| 190 | D | 58.9 | Low | 64.8 | Low | 111 Ų | 111 | 133.3 Ų | 133.3 | 59% | 0.594 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.3 | -31.2 | 178.9 | -102.7 | -3.3 | 0 | 0 | 0 | 112.9 | I186 Y187 L192 Q193 | I186-D190 PolarHBondContact O-N 3.39Å; Y187-D190 PolarHBondContact O-N 2.93Å; D190-L192 PolarHBondContact O-N 2.99Å; D190-Q193 PolarHBondContact O-N 3.3Å |
| 191 | E | 56 | Low | 63.2 | Low | 175 Ų | 175 | 133.3 Ų | 133.3 | 82% | 0.818 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -12 | 171.5 | -78.2 | -171.4 | 163.6 | 0 | 0 | 113.4 | Y187 | Y187-E191 PolarHBondContact O-N 2.89Š|
| 192 | L | 52.6 | Low | 61.9 | Low | 135 Ų | 135 | 136.8 Ų | 136.8 | 71% | 0.707 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | 4.8 | 178.8 | -69.8 | 171.7 | 0 | 0 | 0 | 115.1 | N189 D190 | N189-L192 PolarHBondContact O-N 3.47Å; D190-L192 PolarHBondContact O-N 2.99Å |
| 193 | Q | 41.8 | Very low | 60.7 | Low | 116 Ų | 116 | 137.1 Ų | 137.1 | 54% | 0.542 | 66% | 0.655 | S | S | . | * | trans | -119.8 | 98.5 | 174.3 | -80 | -78.2 | -14 | 0 | 0 | 111.7 | D190 H195 | D190-Q193 PolarHBondContact O-N 3.3Å; Q193-H195 PolarHBondContact O-N 2.92Å; Q193-H195 PolarHBondContact OE1-NE2 3.45Å | ||
| 194 | P | 43.1 | Very low | 59.7 | Low | 125 Ų | 125 | 137.4 Ų | 137.4 | 81% | 0.812 | 66% | 0.66 | S | S | * | * | trans | -75 | 74.9 | 170.6 | 31.4 | -31.8 | 0 | 0 | 0 | 109.3 | R196 | P194-R196 PolarHBondContact O-N 3Š| ||
| 195 | H | 45.5 | Very low | 58.6 | Low | 155 Ų | 155 | 133.9 Ų | 133.9 | 72% | 0.718 | 66% | 0.656 | S | S | * | * | trans | -78.1 | 93.6 | 175.6 | -95.4 | -52.3 | 0 | 0 | 0 | 110.6 | Q193 T197 | Q193-H195 PolarHBondContact O-N 2.92Å; Q193-H195 PolarHBondContact OE1-NE2 3.45Å; H195-T197 PolarHBondContact O-N 3.46Å | ||
| 196 | R | 43.7 | Very low | 57.8 | Low | 230 Ų | 230 | 134.1 Ų | 134.1 | 87% | 0.868 | 66% | 0.655 | S | S | * | * | trans | 12.4 | 103.6 | 155.5 | -80.8 | -178.6 | 172.9 | 169.8 | -1.7 | 115.4 | P194 R198 | P194-R196 PolarHBondContact O-N 3Å; R196-R198 PolarHBondContact O-N 3.32Å | ||
| 197 | T | 42.2 | Very low | 57.1 | Low | 144 Ų | 144 | 136.1 Ų | 136.1 | 88% | 0.883 | 66% | 0.663 | S | S | * | * | trans | -44 | 99.3 | 158.2 | 47.5 | 0 | 0 | 0 | 0 | 111.5 | H195 | H195-T197 PolarHBondContact O-N 3.46Š| ||
| 198 | R | 46.8 | Very low | 56.9 | Low | 202 Ų | 202 | 135 Ų | 135 | 76% | 0.762 | 66% | 0.663 | S | S | * | * | trans | -100.4 | 115.7 | 147.7 | -164.4 | 172.3 | -167.9 | 165.7 | 2 | 105.4 | R196 F200 | R196-R198 PolarHBondContact O-N 3.32Å; R198-F200 HydrophobicContact CB-CE2 3.93Å; R198-F200 HydrophobicContact CB-CZ 4.32Å; R198-F200 HydrophobicContact CG-CZ 4.49Å; R198-F200 WeakPolarHBondContact O-CD2 3.47Å; R198-F200 WeakPolarHBondContact O-CE2 3.37Å; R198-F200 PolarHBondContact O-N 3.33Å | ||
| 199 | S | 49.9 | Very low | 56.8 | Low | 117 Ų | 117 | 133.9 Ų | 133.9 | 82% | 0.818 | 66% | 0.659 | S | S | * | * | trans | -59.8 | 102.3 | -177 | -42 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 200 | F | 53.2 | Low | 57.1 | Low | 154 Ų | 154 | 133.4 Ų | 133.4 | 68% | 0.675 | 66% | 0.656 | S | S | * | * | trans | -94.4 | 118.1 | 170.7 | -69.6 | -77.5 | 0 | 0 | 0 | 107.4 | R198 | R198-F200 HydrophobicContact CB-CE2 3.93Å; R198-F200 HydrophobicContact CB-CZ 4.32Å; R198-F200 HydrophobicContact CG-CZ 4.49Å; R198-F200 WeakPolarHBondContact O-CD2 3.47Å; R198-F200 WeakPolarHBondContact O-CE2 3.37Å; R198-F200 PolarHBondContact O-N 3.33Å | ||
| 201 | S | 60.5 | Low | 57.5 | Low | 62 Ų | 62 | 132.1 Ų | 132.1 | 43% | 0.434 | 66% | 0.655 | S | S | . | * | trans | -69.1 | 139.2 | 171.8 | 176.5 | 0 | 0 | 0 | 0 | 108.9 | D203 D204 T205 | S201-D203 PolarHBondContact O-N 2.85Å; S201-D203 VanDerWaalsContact O-N 3.15Å; S201-D203 PolarHBondContact OG-N 2.99Å; S201-D204 PolarHBondContact O-N 2.83Å; S201-T205 PolarHBondContact O-N 3.22Å | ||
| 202 | Y | 62.6 | Low | 57.9 | Low | 188 Ų | 188 | 128 Ų | 128 | 74% | 0.737 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -52.2 | -34.7 | 175.1 | -177.6 | -96.9 | 0 | 0 | 0 | 111.8 | D204 T205 V206 | Y202-D204 PolarHBondContact O-N 3.34Å; Y202-T205 PolarHBondContact O-N 3.35Å; Y202-V206 HydrophobicContact CD1-CG2 4.3Å; Y202-V206 HydrophobicContact CE1-CG2 3.92Å; Y202-V206 PolarHBondContact O-N 3.47Å |
| 203 | D | 67.3 | Low | 58.5 | Low | 116 Ų | 116 | 126.1 Ų | 126.1 | 62% | 0.62 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.8 | -37.2 | 176.6 | -82.1 | -22.1 | 0 | 0 | 0 | 113.2 | S201 T205 Q207 | S201-D203 PolarHBondContact O-N 2.85Å; S201-D203 VanDerWaalsContact O-N 3.15Å; S201-D203 PolarHBondContact OG-N 2.99Å; D203-T205 VanDerWaalsContact C-N 3.31Å; D203-T205 PolarHBondContact O-N 3.09Å; D203-Q207 VanDerWaalsContact O-CB 3.22Å; D203-Q207 WeakPolarHBondContact O-CB 3.43Å; D203-Q207 WeakPolarHBondContact O-CG 3.33Å; D203-Q207 PolarHBondContact O-N 2.92Å |
| 204 | D | 67.6 | Low | 58.8 | Low | 104 Ų | 104 | 123.3 Ų | 123.3 | 56% | 0.556 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -67.1 | -36.3 | 178.7 | -78.4 | -23.7 | 0 | 0 | 0 | 111.2 | S201 Y202 H208 | S201-D204 PolarHBondContact O-N 2.83Å; Y202-D204 PolarHBondContact O-N 3.34Å; D204-H208 WeakPolarHBondContact O-CB 3.45Å; D204-H208 PolarHBondContact O-N 2.93Å |
| 205 | T | 64.1 | Low | 58.8 | Low | 85 Ų | 85 | 121.4 Ų | 121.4 | 52% | 0.521 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -71.3 | -43.2 | -177.5 | -42.4 | 0 | 0 | 0 | 0 | 110.8 | S201 Y202 D203 W209 | S201-T205 PolarHBondContact O-N 3.22Å; Y202-T205 PolarHBondContact O-N 3.35Å; D203-T205 VanDerWaalsContact C-N 3.31Å; D203-T205 PolarHBondContact O-N 3.09Å; T205-W209 VanDerWaalsContact O-CB 3.27Å; T205-W209 WeakPolarHBondContact O-CB 3.23Å; T205-W209 PolarHBondContact O-N 2.92Å |
| 206 | V | 66.8 | Low | 58.7 | Low | 57 Ų | 57 | 125.6 Ų | 125.6 | 35% | 0.345 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -72.1 | -42.4 | 179 | 179 | 0 | 0 | 0 | 0 | 110.8 | Y202 H208 W209 L210 | Y202-V206 HydrophobicContact CD1-CG2 4.3Å; Y202-V206 HydrophobicContact CE1-CG2 3.92Å; Y202-V206 PolarHBondContact O-N 3.47Å; V206-H208 PolarHBondContact O-N 3.29Å; V206-W209 PolarHBondContact O-N 3.27Å; V206-L210 HydrophobicContact CG1-CD1 3.72Å; V206-L210 HydrophobicContact CG1-CG 4.19Å; V206-L210 VanDerWaalsContact O-CB 3.26Å; V206-L210 WeakPolarHBondContact O-CB 3.35Å; V206-L210 VanDerWaalsContact O-CG 3.28Å; V206-L210 WeakPolarHBondContact O-CG 3.37Å; V206-L210 PolarHBondContact O-N 3.29Å |
| 207 | Q | 68.5 | Low | 58.5 | Low | 131 Ų | 131 | 124 Ų | 124 | 61% | 0.612 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -61.1 | -41.7 | 174.1 | -85.2 | -92.1 | -11.6 | 0 | 0 | 112.1 | D203 S211 | D203-Q207 VanDerWaalsContact O-CB 3.22Å; D203-Q207 WeakPolarHBondContact O-CB 3.43Å; D203-Q207 WeakPolarHBondContact O-CG 3.33Å; D203-Q207 PolarHBondContact O-N 2.92Å; Q207-S211 WeakPolarHBondContact O-CB 3.49Å; Q207-S211 PolarHBondContact O-N 2.99Å; Q207-S211 PolarHBondContact O-OG 3.37Å |
| 208 | H | 70.6 | Confident | 58.4 | Low | 127 Ų | 127 | 127 Ų | 127 | 59% | 0.588 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.6 | -43.3 | 176.3 | -173.4 | -49.8 | 0 | 0 | 0 | 111.2 | D204 V206 S211 V212 | D204-H208 WeakPolarHBondContact O-CB 3.45Å; D204-H208 PolarHBondContact O-N 2.93Å; V206-H208 PolarHBondContact O-N 3.29Å; H208-S211 PolarHBondContact O-N 3.45Å; H208-V212 WeakPolarHBondContact CE1-CG2 3.44Å; H208-V212 VanDerWaalsContact ND1-CG2 3.32Å; H208-V212 WeakPolarHBondContact ND1-CG2 3.49Å; H208-V212 WeakPolarHBondContact O-CB 3.5Å; H208-V212 VanDerWaalsContact O-CG2 3.25Å; H208-V212 WeakPolarHBondContact O-CG2 3.46Å; H208-V212 PolarHBondContact O-N 2.87Å |
| 209 | W | 71.1 | Confident | 58.1 | Low | 169 Ų | 169 | 124.5 Ų | 124.5 | 64% | 0.64 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -67.5 | -41.3 | 179.8 | -165.3 | 90.1 | 0 | 0 | 0 | 111.8 | T205 V206 V212 N213 | T205-W209 VanDerWaalsContact O-CB 3.27Å; T205-W209 WeakPolarHBondContact O-CB 3.23Å; T205-W209 PolarHBondContact O-N 2.92Å; V206-W209 PolarHBondContact O-N 3.27Å; W209-V212 PolarHBondContact O-N 2.92Å; W209-N213 WeakPolarHBondContact CZ2-ND2 3.39Å; W209-N213 PolarHBondContact NE1-ND2 2.75Å; W209-N213 WeakPolarHBondContact O-CB 3.37Å; W209-N213 PolarHBondContact O-N 2.84Å; W209-N213 PolarHBondContact O-ND2 3.47Å |
| 210 | L | 67.4 | Low | 57.4 | Low | 99 Ų | 99 | 127.8 Ų | 127.8 | 52% | 0.518 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -67.5 | -34.6 | 172.4 | -70.8 | 173.6 | 0 | 0 | 0 | 112.1 | V206 G214 | V206-L210 HydrophobicContact CG1-CD1 3.72Å; V206-L210 HydrophobicContact CG1-CG 4.19Å; V206-L210 VanDerWaalsContact O-CB 3.26Å; V206-L210 WeakPolarHBondContact O-CB 3.35Å; V206-L210 VanDerWaalsContact O-CG 3.28Å; V206-L210 WeakPolarHBondContact O-CG 3.37Å; V206-L210 PolarHBondContact O-N 3.29Å; L210-G214 WeakPolarHBondContact O-CA 3.43Å; L210-G214 PolarHBondContact O-N 3.22Å |
| 211 | S | 65.5 | Low | 56.6 | Low | 84 Ų | 84 | 126.7 Ų | 126.7 | 59% | 0.587 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -70 | -35.7 | 173.7 | -71.7 | 0 | 0 | 0 | 0 | 112.4 | Q207 H208 | Q207-S211 WeakPolarHBondContact O-CB 3.49Å; Q207-S211 PolarHBondContact O-N 2.99Å; Q207-S211 PolarHBondContact O-OG 3.37Å; H208-S211 PolarHBondContact O-N 3.45Å |
| 212 | V | 65.1 | Low | 55.5 | Low | 89 Ų | 89 | 129.4 Ų | 129.4 | 54% | 0.539 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -74.3 | -38.8 | 178.5 | 168.3 | 0 | 0 | 0 | 0 | 111.6 | H208 W209 | H208-V212 WeakPolarHBondContact CE1-CG2 3.44Å; H208-V212 VanDerWaalsContact ND1-CG2 3.32Å; H208-V212 WeakPolarHBondContact ND1-CG2 3.49Å; H208-V212 WeakPolarHBondContact O-CB 3.5Å; H208-V212 VanDerWaalsContact O-CG2 3.25Å; H208-V212 WeakPolarHBondContact O-CG2 3.46Å; H208-V212 PolarHBondContact O-N 2.87Å; W209-V212 PolarHBondContact O-N 2.92Å |
| 213 | N | 65.4 | Low | 54.1 | Low | 94 Ų | 94 | 129 Ų | 129 | 50% | 0.503 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -100.4 | -17.2 | -175.2 | -64.8 | -45.2 | 0 | 0 | 0 | 114 | W209 | W209-N213 WeakPolarHBondContact CZ2-ND2 3.39Å; W209-N213 PolarHBondContact NE1-ND2 2.75Å; W209-N213 WeakPolarHBondContact O-CB 3.37Å; W209-N213 PolarHBondContact O-N 2.84Å; W209-N213 PolarHBondContact O-ND2 3.47Å |
| 214 | G | 48.3 | Very low | 52.6 | Low | 57 Ų | 57 | 128 Ų | 128 | 59% | 0.588 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -110.1 | 43.8 | -170 | 0 | 0 | 0 | 0 | 0 | 114.7 | L210 | L210-G214 WeakPolarHBondContact O-CA 3.43Å; L210-G214 PolarHBondContact O-N 3.22Å |
| 215 | A | 43.7 | Very low | 51.1 | Low | 86 Ų | 86 | 130.7 Ų | 130.7 | 71% | 0.711 | 68% | 0.684 | S | S | * | * | trans | -162.4 | 34.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | K217 | A215-K217 PolarHBondContact O-N 3.01Š| ||
| 216 | R | 42.7 | Very low | 49.8 | Very low | 242 Ų | 242 | 134.5 Ų | 134.5 | 91% | 0.913 | 70% | 0.701 | S | S | * | * | trans | -84.5 | 91.1 | 159.9 | -84.6 | -170.3 | 168.9 | -166.7 | -2.4 | 108.6 | K218 | R216-K218 PolarHBondContact O-N 3.33Š| ||
| 217 | K | 39.4 | Very low | 48.5 | Very low | 198 Ų | 198 | 137.1 Ų | 137.1 | 86% | 0.861 | 72% | 0.717 | S | S | * | * | trans | -43.6 | 109.8 | 155.6 | -86.3 | -177.5 | 170.1 | -177.5 | 0 | 107.4 | A215 D219 | A215-K217 PolarHBondContact O-N 3.01Å; K217-D219 PolarHBondContact O-N 3.48Å; K217-D219 VanDerWaalsContact O-N 3.13Å | ||
| 218 | K | 39.9 | Very low | 47.1 | Very low | 206 Ų | 206 | 138.5 Ų | 138.5 | 90% | 0.896 | 73% | 0.728 | S | S | * | * | trans | -70.3 | 102.8 | 167 | -104.4 | -179.3 | 172.3 | 179.9 | 0 | 106.1 | R216 E220 | R216-K218 PolarHBondContact O-N 3.33Å; K218-E220 PolarHBondContact O-N 2.88Å | ||
| 219 | D | 40.2 | Very low | 45.5 | Very low | 150 Ų | 150 | 141 Ų | 141 | 80% | 0.802 | 74% | 0.74 | S | S | * | * | trans | -56.4 | 126.8 | 157.5 | -81.3 | -33.9 | 0 | 0 | 0 | 108 | K217 T221 | K217-D219 PolarHBondContact O-N 3.48Å; K217-D219 VanDerWaalsContact O-N 3.13Å; D219-T221 PolarHBondContact O-N 3.45Å | ||
| 220 | E | 35.4 | Very low | 43.9 | Very low | 186 Ų | 186 | 139 Ų | 139 | 87% | 0.869 | 75% | 0.746 | S | S | * | * | trans | -56.9 | 121 | 170.6 | -69.1 | 171.7 | 131.1 | 0 | 0 | 109.3 | K218 | K218-E220 PolarHBondContact O-N 2.88Š| ||
| 221 | T | 36 | Very low | 42.5 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -161.7 | 89.9 | 145.4 | 6.3 | 0 | 0 | 0 | 0 | 109.4 | D219 | D219-T221 PolarHBondContact O-N 3.45Š| ||
| 222 | S | 37.3 | Very low | 41 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | 24.1 | 100 | 141.2 | -50.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 223 | H | 35.1 | Very low | 39.5 | Very low | 181 Ų | 181 | 143 Ų | 143 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | -149.2 | 115.4 | 133.7 | -145 | 64 | 0 | 0 | 0 | 110.8 | ||||
| 224 | S | 35.3 | Very low | 37.9 | Very low | 93 Ų | 93 | 143.3 Ų | 143.3 | 65% | 0.65 | 80% | 0.795 | S | S | * | * | trans | -62.8 | 134.8 | 175.2 | 49.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 225 | H | 35.2 | Very low | 37.5 | Very low | 162 Ų | 162 | 145.4 Ų | 145.4 | 75% | 0.75 | 80% | 0.798 | S | S | * | * | trans | -159.9 | 92.4 | 135.6 | -110.9 | -64.8 | 0 | 0 | 0 | 108.4 | V227 | H225-V227 VanDerWaalsContact C-N 3.34Å; H225-V227 HydrophobicContact CB-CG2 4.23Å; H225-V227 PolarHBondContact O-N 2.94Å | ||
| 226 | D | 36.9 | Very low | 36.8 | Very low | 164 Ų | 164 | 147.9 Ų | 147.9 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | -61.7 | 98.1 | 158.9 | -102.5 | -31.9 | 0 | 0 | 0 | 107.6 | ||||
| 227 | V | 40.3 | Very low | 36.3 | Very low | 112 Ų | 112 | 147.7 Ų | 147.7 | 68% | 0.679 | 80% | 0.799 | S | S | * | * | trans | -124.4 | 58.5 | 167.7 | -172.1 | 0 | 0 | 0 | 0 | 107.9 | H225 | H225-V227 VanDerWaalsContact C-N 3.34Å; H225-V227 HydrophobicContact CB-CG2 4.23Å; H225-V227 PolarHBondContact O-N 2.94Å | ||
| 228 | L | 39.7 | Very low | 36.1 | Very low | 161 Ų | 161 | 144 Ų | 144 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -114.7 | 58 | 153.3 | -68.8 | 176.7 | 0 | 0 | 0 | 107.6 | T230 | L228-T230 PolarHBondContact O-N 2.74Š| ||
| 229 | Q | 36.2 | Very low | 35.7 | Very low | 180 Ų | 180 | 139.6 Ų | 139.6 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | trans | -71.3 | 90.6 | 154.3 | -79.9 | -168.3 | -3.5 | 0 | 0 | 107 | T231 | Q229-T231 PolarHBondContact O-N 3.33Š| ||
| 230 | T | 37.2 | Very low | 35.8 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -43.3 | 104.5 | 156.6 | 31.7 | 0 | 0 | 0 | 0 | 109 | L228 S232 | L228-T230 PolarHBondContact O-N 2.74Å; T230-S232 PolarHBondContact O-N 3.24Å | ||
| 231 | T | 37.3 | Very low | 36 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | trans | -67.8 | 87.4 | 161.1 | 1.1 | 0 | 0 | 0 | 0 | 106.1 | Q229 C233 | Q229-T231 PolarHBondContact O-N 3.33Å; T231-C233 PolarHBondContact O-N 3.36Å; T231-C233 VanDerWaalsContact O-N 3.09Å | ||
| 232 | S | 35.6 | Very low | 36.1 | Very low | 104 Ų | 104 | 136.7 Ų | 136.7 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -51.1 | 112.9 | 170.3 | 177 | 0 | 0 | 0 | 0 | 108.3 | T230 A234 | T230-S232 PolarHBondContact O-N 3.24Å; S232-A234 PolarHBondContact O-N 3.3Å | ||
| 233 | C | 31.7 | Very low | 36.1 | Very low | 115 Ų | 115 | 142 Ų | 142 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | trans | -55.9 | 108.1 | 168 | -70.7 | 0 | 0 | 0 | 0 | 107.9 | T231 P235 | T231-C233 PolarHBondContact O-N 3.36Å; T231-C233 VanDerWaalsContact O-N 3.09Å; C233-P235 WeakPolarHBondContact O-CD 3.46Å; C233-P235 VanDerWaalsContact O-N 3.13Å | ||
| 234 | A | 33.1 | Very low | 36.4 | Very low | 99 Ų | 99 | 139.1 Ų | 139.1 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -59.2 | 113.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | S232 | S232-A234 PolarHBondContact O-N 3.3Š| ||
| 235 | P | 38.5 | Very low | 36.6 | Very low | 102 Ų | 102 | 142.3 Ų | 142.3 | 66% | 0.662 | 80% | 0.799 | S | S | * | * | trans | -95.6 | 139.4 | 176.4 | 19.4 | -0.4 | 0 | 0 | 0 | 110.2 | C233 | C233-P235 WeakPolarHBondContact O-CD 3.46Å; C233-P235 VanDerWaalsContact O-N 3.13Å | ||
| 236 | N | 31.1 | Very low | 36.9 | Very low | 138 Ų | 138 | 140.3 Ų | 140.3 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | trans | 86.1 | 110.3 | 151.5 | -64.4 | -42.6 | 0 | 0 | 0 | 119.9 | ||||
| 237 | R | 31.5 | Very low | 37.1 | Very low | 237 Ų | 237 | 140.4 Ų | 140.4 | 89% | 0.894 | 80% | 0.8 | S | S | * | * | 49.6 | 110.9 | 123.7 | -70 | -176.7 | 172 | -156.4 | -1.7 | 117.3 | |||||
| 238 | S | 34 | Very low | 36.8 | Very low | 122 Ų | 122 | 138.3 Ų | 138.3 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | -154.8 | 133.1 | 126.6 | 27.3 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 239 | S | 32.3 | Very low | 36.9 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | -45 | 132.1 | -173.1 | -49.1 | 0 | 0 | 0 | 0 | 115.2 | A241 | S239-A241 PolarHBondContact O-N 3.49Š| ||
| 240 | P | 41.9 | Very low | 37 | Very low | 127 Ų | 127 | 132.1 Ų | 132.1 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -68.2 | 108.2 | 155.8 | 27.5 | -27.5 | 0 | 0 | 0 | 107.2 | Q242 | P240-Q242 PolarHBondContact O-N 2.96Š| ||
| 241 | A | 40.1 | Very low | 36.9 | Very low | 85 Ų | 85 | 132 Ų | 132 | 70% | 0.702 | 79% | 0.792 | S | S | * | * | trans | -43 | 125.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110 | S239 R243 | S239-A241 PolarHBondContact O-N 3.49Å; A241-R243 PolarHBondContact O-N 3.34Å | ||
| 242 | Q | 38.1 | Very low | 37 | Very low | 194 Ų | 194 | 131.2 Ų | 131.2 | 91% | 0.907 | 79% | 0.789 | S | S | * | * | trans | -50.2 | 101.8 | 164.9 | -70.2 | 172.4 | -34.4 | 0 | 0 | 108 | P240 | P240-Q242 PolarHBondContact O-N 2.96Š| ||
| 243 | R | 37.4 | Very low | 37.1 | Very low | 231 Ų | 231 | 132 Ų | 132 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 124.5 | 164.4 | -84 | -176 | 177.2 | 168.6 | -0.1 | 107 | A241 L245 | A241-R243 PolarHBondContact O-N 3.34Å; R243-L245 PolarHBondContact O-N 2.93Å |
| 244 | P | 40.7 | Very low | 37.4 | Very low | 120 Ų | 120 | 134.1 Ų | 134.1 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 133.3 | -179.7 | -17.4 | 29.3 | 0 | 0 | 0 | 110.4 | ||
| 245 | L | 40.3 | Very low | 37.7 | Very low | 159 Ų | 159 | 134 Ų | 134 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 127 | 170.3 | -75.8 | 155.5 | 0 | 0 | 0 | 109.4 | R243 I247 | R243-L245 PolarHBondContact O-N 2.93Å; L245-I247 PolarHBondContact O-N 3.2Å; L245-I247 VanDerWaalsContact O-N 3.11Å |
| 246 | P | 41.8 | Very low | 37.5 | Very low | 121 Ų | 121 | 136 Ų | 136 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | trans | -67.5 | 112.9 | 172.7 | 25.9 | -29.6 | 0 | 0 | 0 | 108.9 | G248 | P246-G248 VanDerWaalsContact C-N 3.3Å; P246-G248 PolarHBondContact O-N 3.07Å | ||
| 247 | I | 39.8 | Very low | 37.8 | Very low | 166 Ų | 166 | 134.4 Ų | 134.4 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | trans | -67.5 | 92.3 | 165.4 | -62.2 | 165.4 | 0 | 0 | 0 | 106.2 | L245 P249 | L245-I247 PolarHBondContact O-N 3.2Å; L245-I247 VanDerWaalsContact O-N 3.11Å; I247-P249 WeakPolarHBondContact O-CD 3.41Å | ||
| 248 | G | 34.8 | Very low | 38 | Very low | 68 Ų | 68 | 127.2 Ų | 127.2 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | -90.8 | 110.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | P246 A250 | P246-G248 VanDerWaalsContact C-N 3.3Å; P246-G248 PolarHBondContact O-N 3.07Å; G248-A250 PolarHBondContact O-N 3Å | ||
| 249 | P | 41.2 | Very low | 38.1 | Very low | 121 Ų | 121 | 129.1 Ų | 129.1 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | -75.2 | 120.6 | 174.5 | 28.3 | -30 | 0 | 0 | 0 | 110.9 | I247 | I247-P249 WeakPolarHBondContact O-CD 3.41Š| ||
| 250 | A | 37.8 | Very low | 38.4 | Very low | 89 Ų | 89 | 129.7 Ų | 129.7 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | 47.6 | 103.1 | 146.2 | 0 | 0 | 0 | 0 | 0 | 119 | G248 P252 | G248-A250 PolarHBondContact O-N 3Å; A250-P252 WeakPolarHBondContact O-CD 3.45Å | ||
| 251 | V | 35.6 | Very low | 38.5 | Very low | 125 Ų | 125 | 127.6 Ų | 127.6 | 76% | 0.758 | 78% | 0.779 | S | S | * | * | trans | -53.8 | 120.3 | 152.3 | 177.8 | 0 | 0 | 0 | 0 | 109.1 | T253 | V251-T253 PolarHBondContact O-N 3.46Å; V251-T253 VanDerWaalsContact O-N 3.16Å | ||
| 252 | P | 39.4 | Very low | 38.3 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | -74.4 | 102.1 | 161 | 1.5 | 15.5 | 0 | 0 | 0 | 107 | A250 D254 | A250-P252 WeakPolarHBondContact O-CD 3.45Å; P252-D254 VanDerWaalsContact C-N 3.35Å; P252-D254 PolarHBondContact O-N 3.35Å | ||
| 253 | T | 38.2 | Very low | 38.3 | Very low | 119 Ų | 119 | 127.1 Ų | 127.1 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | trans | -65.6 | 98 | 161.7 | -48.8 | 0 | 0 | 0 | 0 | 106.7 | V251 V255 | V251-T253 PolarHBondContact O-N 3.46Å; V251-T253 VanDerWaalsContact O-N 3.16Å; T253-V255 HydrophobicContact CG2-CG2 4Å | ||
| 254 | D | 38.2 | Very low | 38.2 | Very low | 160 Ų | 160 | 121.8 Ų | 121.8 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | trans | -115.7 | 122.1 | 162.6 | -139.3 | -10.7 | 0 | 0 | 0 | 109.9 | P252 | P252-D254 VanDerWaalsContact C-N 3.35Å; P252-D254 PolarHBondContact O-N 3.35Å | ||
| 255 | V | 39.3 | Very low | 38 | Very low | 96 Ų | 96 | 124.1 Ų | 124.1 | 58% | 0.582 | 77% | 0.768 | S | S | * | * | trans | -97.1 | 149 | -168.5 | -174.5 | 0 | 0 | 0 | 0 | 106.5 | T253 | T253-V255 HydrophobicContact CG2-CG2 4Š| ||
| 256 | N | 35 | Very low | 38.1 | Very low | 144 Ų | 144 | 122 Ų | 122 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | 95.3 | 66.7 | 172.6 | -53.4 | -54.8 | 0 | 0 | 0 | 117.1 | A258 | N256-A258 VanDerWaalsContact C-N 3.26Å; N256-A258 PolarHBondContact O-N 2.92Å | ||
| 257 | A | 35.7 | Very low | 37.7 | Very low | 106 Ų | 106 | 127.1 Ų | 127.1 | 88% | 0.876 | 77% | 0.77 | S | S | * | * | trans | -86.4 | 79.6 | 140.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | L259 | A257-L259 PolarHBondContact O-N 3.2Š| ||
| 258 | A | 37.3 | Very low | 37.8 | Very low | 85 Ų | 85 | 127.2 Ų | 127.2 | 70% | 0.702 | 77% | 0.771 | S | S | * | * | trans | -59.9 | 116.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109 | N256 | N256-A258 VanDerWaalsContact C-N 3.26Å; N256-A258 PolarHBondContact O-N 2.92Å | ||
| 259 | L | 35.2 | Very low | 38 | Very low | 163 Ų | 163 | 127.7 Ų | 127.7 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | -47.5 | 126.4 | 168.5 | -81.7 | 147.5 | 0 | 0 | 0 | 109.6 | A257 A261 | A257-L259 PolarHBondContact O-N 3.2Å; L259-A261 PolarHBondContact O-N 3.5Å | ||
| 260 | P | 39.1 | Very low | 38.1 | Very low | 124 Ų | 124 | 127.7 Ų | 127.7 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | trans | -67.1 | 101.5 | 170.8 | 26.1 | -30 | 0 | 0 | 0 | 107.9 | D262 | P260-D262 PolarHBondContact O-N 2.92Š| ||
| 261 | A | 43.4 | Very low | 38.2 | Very low | 83 Ų | 83 | 134.4 Ų | 134.4 | 69% | 0.686 | 78% | 0.775 | S | S | * | * | trans | -55.2 | 123.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | L259 V263 | L259-A261 PolarHBondContact O-N 3.5Å; A261-V263 VanDerWaalsContact C-N 3.29Å; A261-V263 PolarHBondContact O-N 3.29Å | ||
| 262 | D | 36 | Very low | 38.5 | Very low | 151 Ų | 151 | 134.1 Ų | 134.1 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | trans | -61.1 | 88.4 | 177.6 | -150.2 | -2.5 | 0 | 0 | 0 | 108.4 | P260 T264 | P260-D262 PolarHBondContact O-N 2.92Å; D262-T264 PolarHBondContact O-N 3Å; D262-T264 PolarHBondContact O-OG1 3.18Å | ||
| 263 | V | 37.8 | Very low | 38.4 | Very low | 118 Ų | 118 | 138.3 Ų | 138.3 | 72% | 0.715 | 78% | 0.781 | S | S | * | * | trans | -71.7 | 86.1 | 175.3 | 179.4 | 0 | 0 | 0 | 0 | 106.7 | A261 Q265 | A261-V263 VanDerWaalsContact C-N 3.29Å; A261-V263 PolarHBondContact O-N 3.29Å; V263-Q265 VanDerWaalsContact C-N 3.27Å; V263-Q265 HydrophobicContact CG1-CG 4.34Å; V263-Q265 PolarHBondContact O-N 3.1Å | ||
| 264 | T | 36.7 | Very low | 38.4 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | trans | -60.7 | 93 | 165.4 | -45.9 | 0 | 0 | 0 | 0 | 106.8 | D262 P266 | D262-T264 PolarHBondContact O-N 3Å; D262-T264 PolarHBondContact O-OG1 3.18Å; T264-P266 VanDerWaalsContact O-CD 3.26Å; T264-P266 WeakPolarHBondContact O-CD 3.23Å | ||
| 265 | Q | 36.4 | Very low | 38.5 | Very low | 168 Ų | 168 | 136.2 Ų | 136.2 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -64.2 | 119.9 | 174.4 | -81.3 | -155.7 | -7.6 | 0 | 0 | 108.8 | V263 Y267 | V263-Q265 VanDerWaalsContact C-N 3.27Å; V263-Q265 HydrophobicContact CG1-CG 4.34Å; V263-Q265 PolarHBondContact O-N 3.1Å; Q265-Y267 PolarHBondContact O-N 3.44Å | ||
| 266 | P | 40.8 | Very low | 38.4 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | trans | -69 | 122.4 | 175.3 | 26.6 | -29.8 | 0 | 0 | 0 | 108.9 | T264 L268 | T264-P266 VanDerWaalsContact O-CD 3.26Å; T264-P266 WeakPolarHBondContact O-CD 3.23Å; P266-L268 PolarHBondContact O-N 3.41Å | ||
| 267 | Y | 34.9 | Very low | 38.6 | Very low | 229 Ų | 229 | 140.1 Ų | 140.1 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | trans | -48.3 | 100.8 | 174.8 | -144.8 | -100.4 | 0 | 0 | 0 | 110.2 | Q265 A269 | Q265-Y267 PolarHBondContact O-N 3.44Å; Y267-A269 PolarHBondContact O-N 3.26Å | ||
| 268 | L | 41.1 | Very low | 38.7 | Very low | 167 Ų | 167 | 141 Ų | 141 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -71.3 | 102.6 | 173.2 | -85.6 | 166.6 | 0 | 0 | 0 | 108.3 | P266 | P266-L268 PolarHBondContact O-N 3.41Š| ||
| 269 | A | 39 | Very low | 38.8 | Very low | 79 Ų | 79 | 143.7 Ų | 143.7 | 65% | 0.653 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -55 | 132.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y267 R271 | Y267-A269 PolarHBondContact O-N 3.26Å; A269-R271 PolarHBondContact O-N 3.27Å |
| 270 | P | 42.2 | Very low | 38.8 | Very low | 120 Ų | 120 | 139 Ų | 139 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 120.2 | -176.2 | 23.2 | -30.2 | 0 | 0 | 0 | 110.6 | ||
| 271 | R | 40.4 | Very low | 38.7 | Very low | 231 Ų | 231 | 142 Ų | 142 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 130 | 173.1 | -73.1 | -175.3 | 175.6 | -167.8 | -0.8 | 109.5 | A269 F273 | A269-R271 PolarHBondContact O-N 3.27Å; R271-F273 PolarHBondContact O-N 3.45Å |
| 272 | P | 41.8 | Very low | 38.6 | Very low | 118 Ų | 118 | 149 Ų | 149 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 124 | 176.7 | 24.9 | -30.2 | 0 | 0 | 0 | 109.7 | T274 | P272-T274 PolarHBondContact O-N 3.18Å; P272-T274 VanDerWaalsContact O-N 3.1Å |
| 273 | F | 37.3 | Very low | 38.8 | Very low | 209 Ų | 209 | 147.3 Ų | 147.3 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | trans | -57.4 | 112.6 | 170.4 | -99.7 | -98.8 | 0 | 0 | 0 | 109.1 | R271 S275 | R271-F273 PolarHBondContact O-N 3.45Å; F273-S275 PolarHBondContact O-N 3.49Å | ||
| 274 | T | 38.6 | Very low | 38.7 | Very low | 128 Ų | 128 | 146.8 Ų | 146.8 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -65.5 | 104.5 | 162.6 | 45.3 | 0 | 0 | 0 | 0 | 106.9 | P272 D276 | P272-T274 PolarHBondContact O-N 3.18Å; P272-T274 VanDerWaalsContact O-N 3.1Å; T274-D276 PolarHBondContact O-N 3.5Å | ||
| 275 | S | 39.5 | Very low | 39.1 | Very low | 107 Ų | 107 | 149.5 Ų | 149.5 | 75% | 0.748 | 83% | 0.827 | S | S | * | * | trans | -62.7 | 101.9 | 168.1 | -175.3 | 0 | 0 | 0 | 0 | 107 | F273 K277 | F273-S275 PolarHBondContact O-N 3.49Å; S275-K277 PolarHBondContact O-N 3Å | ||
| 276 | D | 39.1 | Very low | 39.2 | Very low | 145 Ų | 145 | 148.6 Ų | 148.6 | 78% | 0.775 | 83% | 0.829 | S | S | * | * | trans | -55.1 | 110 | 164.3 | -99.6 | -27.7 | 0 | 0 | 0 | 106.9 | T274 C278 | T274-D276 PolarHBondContact O-N 3.5Å; D276-C278 PolarHBondContact O-N 3.06Å | ||
| 277 | K | 38.2 | Very low | 39.1 | Very low | 177 Ų | 177 | 150.3 Ų | 150.3 | 77% | 0.77 | 83% | 0.834 | S | S | * | * | trans | -68.1 | 94.4 | 167.5 | -72.6 | -173 | 174.8 | -177 | 0 | 105.6 | S275 D279 | S275-K277 PolarHBondContact O-N 3Å; K277-D279 PolarHBondContact O-N 3.22Å | ||
| 278 | C | 38.3 | Very low | 39.4 | Very low | 124 Ų | 124 | 145.9 Ų | 145.9 | 84% | 0.838 | 83% | 0.83 | S | S | * | * | trans | -65.9 | 90 | 159.9 | -71.9 | 0 | 0 | 0 | 0 | 107.2 | D276 G280 | D276-C278 PolarHBondContact O-N 3.06Å; C278-G280 PolarHBondContact O-N 2.77Å | ||
| 279 | D | 38.7 | Very low | 39.3 | Very low | 142 Ų | 142 | 144.7 Ų | 144.7 | 76% | 0.759 | 83% | 0.828 | S | S | * | * | trans | -60.7 | 122.8 | 166.2 | -82.6 | -41.4 | 0 | 0 | 0 | 109.5 | K277 | K277-D279 PolarHBondContact O-N 3.22Š| ||
| 280 | G | 35.7 | Very low | 39.3 | Very low | 64 Ų | 64 | 148.8 Ų | 148.8 | 66% | 0.66 | 84% | 0.839 | S | S | * | * | trans | 45 | 96 | 140 | 0 | 0 | 0 | 0 | 0 | 119 | C278 | C278-G280 PolarHBondContact O-N 2.77Š| ||
| 281 | H | 37.3 | Very low | 39.1 | Very low | 187 Ų | 187 | 150.7 Ų | 150.7 | 87% | 0.866 | 84% | 0.843 | S | S | * | * | trans | -109.6 | 88.8 | 135.8 | -85.1 | -66.7 | 0 | 0 | 0 | 109.2 | S283 | H281-S283 PolarHBondContact O-N 3.25Š| ||
| 282 | R | 40.4 | Very low | 39 | Very low | 230 Ų | 230 | 145 Ų | 145 | 87% | 0.868 | 84% | 0.84 | S | S | * | * | trans | -74.1 | 93.7 | 160 | -139.1 | -178.7 | -157.9 | -121 | 4.2 | 105.6 | S284 | R282-S284 PolarHBondContact O-N 3.12Å; R282-S284 VanDerWaalsContact O-N 3.09Å | ||
| 283 | S | 40.7 | Very low | 38.8 | Very low | 116 Ų | 116 | 147.1 Ų | 147.1 | 81% | 0.811 | 85% | 0.846 | S | S | * | * | trans | -74.9 | 97.1 | 169 | -66.9 | 0 | 0 | 0 | 0 | 108 | H281 | H281-S283 PolarHBondContact O-N 3.25Š| ||
| 284 | S | 35.3 | Very low | 38.9 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 75% | 0.748 | 84% | 0.84 | S | S | * | * | trans | -82.4 | 117.4 | 158.8 | -76.1 | 0 | 0 | 0 | 0 | 108.5 | R282 | R282-S284 PolarHBondContact O-N 3.12Å; R282-S284 VanDerWaalsContact O-N 3.09Å | ||
| 285 | A | 45.2 | Very low | 38.9 | Very low | 176 Ų | 176 | 143.2 Ų | 143.2 | 100% | 1.455 | 85% | 0.845 | S | S | * | * | trans | -162.9 | 0 | 143.3 | 0 | 0 | 0 | 0 | 0 | 107.2 |
Retrieved 285 of 285 residues in 428.1 ms
(Link to these results)