| 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 | 38.2 | Very low | 49.8 | Very low | 246 Ų | 246 | 171.6 Ų | 171.6 | 100% | 1.212 | 87% | 0.873 | S | S | * | * | 0 | 119.7 | 0 | -80.4 | -173.8 | 164 | 0 | 0 | 110.4 | |||||
| 2 | K | 50 | Low | 49.7 | Very low | 200 Ų | 200 | 169.6 Ų | 169.6 | 87% | 0.87 | 87% | 0.866 | S | S | * | * | trans | 141.1 | 86.8 | 156.4 | -95.1 | 179.2 | 172 | 167.8 | 0 | 109.8 | ||||
| 3 | V | 47.2 | Very low | 49.5 | Very low | 144 Ų | 144 | 170.5 Ų | 170.5 | 87% | 0.873 | 86% | 0.864 | S | S | * | * | trans | -81.4 | 124.2 | 166.1 | -162.2 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 4 | K | 57.2 | Low | 49.9 | Very low | 194 Ų | 194 | 169.2 Ų | 169.2 | 84% | 0.843 | 85% | 0.854 | S | S | * | * | trans | -118.9 | 98.8 | 165.4 | -84.1 | -164.4 | 174.8 | -174.6 | 0 | 108.3 | K6 | K4-K6 PolarHBondContact O-N 3.41Š| ||
| 5 | S | 51.6 | Low | 50.1 | Low | 115 Ų | 115 | 169.9 Ų | 169.9 | 80% | 0.804 | 85% | 0.852 | S | S | * | * | trans | -66.9 | 120.4 | 165.7 | 42.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 6 | K | 58.1 | Low | 50.7 | Low | 206 Ų | 206 | 167.3 Ų | 167.3 | 90% | 0.896 | 84% | 0.842 | S | S | * | * | trans | -97.2 | 111 | 163.4 | -101.9 | -175.4 | 175.1 | -177.4 | 0 | 108.1 | K4 K8 | K4-K6 PolarHBondContact O-N 3.41Å; K6-K8 PolarHBondContact O-N 2.76Å | ||
| 7 | K | 53.8 | Low | 51.5 | Low | 208 Ų | 208 | 167.4 Ų | 167.4 | 90% | 0.904 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 116.6 | 173.9 | -166.3 | 174.7 | -176.7 | 178.4 | 0 | 109.3 | ||
| 8 | K | 51.9 | Low | 52.9 | Low | 203 Ų | 203 | 166.7 Ų | 166.7 | 88% | 0.883 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 120.5 | 167.3 | -77.1 | -175.9 | 175.2 | -176.2 | 0 | 108 | K6 | K6-K8 PolarHBondContact O-N 2.76Š|
| 9 | S | 47.1 | Very low | 54.1 | Low | 105 Ų | 105 | 166.3 Ų | 166.3 | 73% | 0.734 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 123.8 | 162.9 | 40 | 0 | 0 | 0 | 0 | 108.3 | E11 | S9-E11 PolarHBondContact O-N 2.74Š|
| 10 | A | 44.6 | Very low | 55.6 | Low | 94 Ų | 94 | 167.5 Ų | 167.5 | 78% | 0.777 | 83% | 0.83 | S | S | * | * | trans | -77.3 | 104.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 11 | E | 48.1 | Very low | 56.9 | Low | 173 Ų | 173 | 163.9 Ų | 163.9 | 81% | 0.808 | 82% | 0.817 | S | S | * | * | trans | -91.7 | 117.3 | 159.5 | -76.8 | 178.6 | 170.3 | 0 | 0 | 106.1 | S9 E13 | S9-E11 PolarHBondContact O-N 2.74Å; E11-E13 VanDerWaalsContact C-N 3.31Å; E11-E13 PolarHBondContact O-N 3.18Å | ||
| 12 | N | 48.6 | Very low | 59.2 | Low | 147 Ų | 147 | 161.6 Ų | 161.6 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | -62.7 | 93.4 | 170.7 | -78.7 | -18.3 | 0 | 0 | 0 | 108.1 | E14 | N12-E14 PolarHBondContact O-N 3.39Š| ||
| 13 | E | 47.5 | Very low | 60.7 | Low | 181 Ų | 181 | 156.5 Ų | 156.5 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | trans | -70.3 | 85.7 | 154.7 | -72 | 178 | 166.8 | 0 | 0 | 106.1 | E11 E15 | E11-E13 VanDerWaalsContact C-N 3.31Å; E11-E13 PolarHBondContact O-N 3.18Å; E13-E15 VanDerWaalsContact C-N 3.33Å; E13-E15 PolarHBondContact O-N 2.69Å | ||
| 14 | E | 54.5 | Low | 62.5 | Low | 153 Ų | 153 | 153 Ų | 153 | 72% | 0.715 | 77% | 0.77 | S | S | * | * | trans | -58.1 | 106.3 | 159.1 | -76.5 | -179.4 | 171 | 0 | 0 | 105.9 | N12 N16 | N12-E14 PolarHBondContact O-N 3.39Å; E14-N16 PolarHBondContact O-N 3.26Å | ||
| 15 | E | 52.5 | Low | 63.8 | Low | 179 Ų | 179 | 149.5 Ų | 149.5 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | trans | -57.1 | 81.8 | 168 | -68.7 | 177.9 | 164.3 | 0 | 0 | 107.7 | E13 E17 | E13-E15 VanDerWaalsContact C-N 3.33Å; E13-E15 PolarHBondContact O-N 2.69Å; E15-E17 VanDerWaalsContact C-N 3.27Å; E15-E17 PolarHBondContact O-N 3.39Å | ||
| 16 | N | 59.8 | Low | 65.5 | Low | 129 Ų | 129 | 145.7 Ų | 145.7 | 69% | 0.69 | 73% | 0.732 | S | S | * | * | trans | -63.8 | 98.7 | 164.4 | -77.7 | -52.2 | 0 | 0 | 0 | 105.2 | E14 E18 | E14-N16 PolarHBondContact O-N 3.26Å; N16-E18 VanDerWaalsContact C-N 3.26Å; N16-E18 PolarHBondContact O-N 3.12Å | ||
| 17 | E | 65.5 | Low | 66.9 | Low | 168 Ų | 168 | 139.6 Ų | 139.6 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | trans | -58.1 | 93.1 | 171.1 | -69.5 | -178.7 | 172.2 | 0 | 0 | 108.2 | E15 M19 | E15-E17 VanDerWaalsContact C-N 3.27Å; E15-E17 PolarHBondContact O-N 3.39Å; E17-M19 PolarHBondContact O-N 2.95Å | ||
| 18 | E | 75.4 | Confident | 68.4 | Low | 156 Ų | 156 | 133.6 Ų | 133.6 | 73% | 0.729 | 69% | 0.691 | S | S | * | * | trans | -66.5 | 97.4 | 178.5 | -71.1 | -174.7 | 172 | 0 | 0 | 109.1 | N16 F20 | N16-E18 VanDerWaalsContact C-N 3.26Å; N16-E18 PolarHBondContact O-N 3.12Å; E18-F20 PolarHBondContact O-N 3.28Å | ||
| 19 | M | 77.2 | Confident | 70.1 | Confident | 159 Ų | 159 | 130.1 Ų | 130.1 | 78% | 0.783 | 68% | 0.682 | S | S | * | * | trans | -81.2 | 114.2 | 175.5 | -73.8 | -80.6 | -77.1 | 0 | 0 | 110.3 | E17 V21 | E17-M19 PolarHBondContact O-N 2.95Å; M19-V21 PolarHBondContact O-N 3.11Å | ||
| 20 | F | 82.9 | Confident | 72.1 | Confident | 189 Ų | 189 | 130.6 Ų | 130.6 | 83% | 0.829 | 68% | 0.675 | S | S | * | * | trans | -81.7 | 111.5 | 175.3 | -64.7 | -82.1 | 0 | 0 | 0 | 111.1 | E18 | E18-F20 PolarHBondContact O-N 3.28Š| ||
| 21 | V | 83.3 | Confident | 74.1 | Confident | 93 Ų | 93 | 128 Ų | 128 | 56% | 0.564 | 65% | 0.648 | S | S | * | * | trans | -107.7 | 138 | 175.7 | -174.3 | 0 | 0 | 0 | 0 | 110.2 | M19 L23 V26 | M19-V21 PolarHBondContact O-N 3.11Å; V21-L23 PolarHBondContact O-N 2.98Å; V21-V26 HydrophobicContact CB-CG2 4.47Å; V21-V26 HydrophobicContact CG1-CG2 3.72Å | ||
| 22 | R | 86 | Confident | 76 | Confident | 197 Ų | 197 | 123.1 Ų | 123.1 | 74% | 0.743 | 62% | 0.623 | S | S | * | * | trans | -68.2 | 129.4 | 171.6 | -64.8 | 179.4 | 173.2 | -163.3 | -1 | 109 | G24 D25 | R22-G24 PolarHBondContact O-N 3.4Å; R22-D25 WeakPolarHBondContact CB-OD2 3.27Å; R22-D25 PolarHBondContact O-N 3.34Å | ||
| 23 | L | 83 | Confident | 77.8 | Confident | 93 Ų | 93 | 123 Ų | 123 | 49% | 0.487 | 61% | 0.612 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.9 | -26.2 | -178.7 | -72.6 | 178 | 0 | 0 | 0 | 114.2 | V21 D25 L31 M54 | V21-L23 PolarHBondContact O-N 2.98Å; L23-D25 VanDerWaalsContact C-N 3.32Å; L23-L31 HydrophobicContact CD2-CD2 4.38Å; L23-M54 HydrophobicContact CB-CE 3.69Å; L23-M54 HydrophobicContact CB-SD 3.61Å; L23-M54 HydrophobicContact CD1-CE 4.31Å; L23-M54 HydrophobicContact CD2-CE 3.99Å; L23-M54 HydrophobicContact CG-CE 4.22Å |
| 24 | G | 83.3 | Confident | 79.6 | Confident | 71 Ų | 71 | 120.1 Ų | 120.1 | 73% | 0.732 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -20.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | R22 | R22-G24 PolarHBondContact O-N 3.4Š|
| 25 | D | 85.5 | Confident | 81.2 | Confident | 120 Ų | 120 | 113.8 Ų | 113.8 | 64% | 0.642 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -12 | -177.3 | -59.2 | -26.1 | 0 | 0 | 0 | 112 | R22 L23 | R22-D25 WeakPolarHBondContact CB-OD2 3.27Å; R22-D25 PolarHBondContact O-N 3.34Å; L23-D25 VanDerWaalsContact C-N 3.32Å |
| 26 | V | 86.2 | Confident | 82.8 | Confident | 35 Ų | 35 | 108.2 Ų | 108.2 | 21% | 0.212 | 55% | 0.554 | C | S | . | * | S | Bend | trans | -82.9 | 127.8 | 179.2 | -173.9 | 0 | 0 | 0 | 0 | 109.8 | V21 L28 I30 L31 | V21-V26 HydrophobicContact CB-CG2 4.47Å; V21-V26 HydrophobicContact CG1-CG2 3.72Å; V26-L28 PolarHBondContact O-N 3.1Å; V26-I30 HydrophobicContact CG1-CB 4.07Å; V26-I30 HydrophobicContact CG1-CG2 4.1Å; V26-L31 HydrophobicContact CB-CD1 4Å; V26-L31 HydrophobicContact CB-CD2 4.14Å; V26-L31 HydrophobicContact CB-CG 4.03Å; V26-L31 HydrophobicContact CG1-CD1 4.2Å; V26-L31 HydrophobicContact CG1-CD2 3.94Å; V26-L31 HydrophobicContact CG1-CG 3.72Å; V26-L31 WeakPolarHBondContact O-CD1 3.32Å |
| 27 | P | 89 | Confident | 84.1 | Confident | 78 Ų | 78 | 108.8 Ų | 108.8 | 51% | 0.506 | 55% | 0.554 | S | S | . | * | trans | -51.4 | 135 | 173.5 | -28.2 | 34 | 0 | 0 | 0 | 112.6 | D29 I30 L31 | P27-D29 PolarHBondContact O-N 3.09Å; P27-D29 VanDerWaalsContact O-N 3.11Å; P27-I30 HydrophobicContact CB-CD1 4.28Å; P27-I30 HydrophobicContact CB-CG1 4.32Å; P27-I30 HydrophobicContact CG-CD1 4.1Å; P27-I30 PolarHBondContact O-N 2.93Å; P27-I30 VanDerWaalsContact O-N 3.12Å; P27-L31 PolarHBondContact O-N 3.23Å | ||
| 28 | L | 85.3 | Confident | 85.3 | Confident | 82 Ų | 82 | 103.9 Ų | 103.9 | 43% | 0.429 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -57.3 | -30.7 | -177 | -75.8 | 174.7 | 0 | 0 | 0 | 113.2 | V26 L31 R32 | V26-L28 PolarHBondContact O-N 3.1Å; L28-L31 HydrophobicContact CD2-CD1 4.37Å; L28-L31 PolarHBondContact O-N 2.87Å; L28-R32 VanDerWaalsContact O-CB 3.27Å; L28-R32 WeakPolarHBondContact O-CB 3.44Å; L28-R32 WeakPolarHBondContact O-CD 3.14Å; L28-R32 WeakPolarHBondContact O-CG 3.4Å; L28-R32 PolarHBondContact O-N 2.78Å |
| 29 | D | 86.9 | Confident | 85.8 | Confident | 130 Ų | 130 | 100.1 Ų | 100.1 | 70% | 0.695 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.9 | -37.4 | -178.7 | -62.8 | -29.6 | 0 | 0 | 0 | 112 | P27 R32 Y33 | P27-D29 PolarHBondContact O-N 3.09Å; P27-D29 VanDerWaalsContact O-N 3.11Å; D29-R32 CarbonylContact O-C 3.54Å; D29-R32 PolarHBondContact O-N 2.91Å; D29-Y33 PolarHBondContact O-N 3.49Å |
| 30 | I | 88.1 | Confident | 86.3 | Confident | 115 Ų | 115 | 94.8 Ų | 94.8 | 59% | 0.59 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64 | -47.9 | 174 | -61.2 | 178.6 | 0 | 0 | 0 | 109.5 | V26 P27 R32 Y33 | V26-I30 HydrophobicContact CG1-CB 4.07Å; V26-I30 HydrophobicContact CG1-CG2 4.1Å; P27-I30 HydrophobicContact CB-CD1 4.28Å; P27-I30 HydrophobicContact CB-CG1 4.32Å; P27-I30 HydrophobicContact CG-CD1 4.1Å; P27-I30 PolarHBondContact O-N 2.93Å; P27-I30 VanDerWaalsContact O-N 3.12Å; I30-R32 PolarHBondContact O-N 3.29Å; I30-Y33 WeakPolarHBondContact O-CB 3.5Å; I30-Y33 PolarHBondContact O-N 3.19Å |
| 31 | L | 86.6 | Confident | 86.5 | Confident | 40 Ų | 40 | 90.6 Ų | 90.6 | 21% | 0.209 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -63.4 | -26.3 | 179.5 | -65.1 | 162.2 | 0 | 0 | 0 | 112.8 | L23 V26 P27 L28 L50 M54 | L23-L31 HydrophobicContact CD2-CD2 4.38Å; V26-L31 HydrophobicContact CB-CD1 4Å; V26-L31 HydrophobicContact CB-CD2 4.14Å; V26-L31 HydrophobicContact CB-CG 4.03Å; V26-L31 HydrophobicContact CG1-CD1 4.2Å; V26-L31 HydrophobicContact CG1-CD2 3.94Å; V26-L31 HydrophobicContact CG1-CG 3.72Å; V26-L31 WeakPolarHBondContact O-CD1 3.32Å; P27-L31 PolarHBondContact O-N 3.23Å; L28-L31 HydrophobicContact CD2-CD1 4.37Å; L28-L31 PolarHBondContact O-N 2.87Å; L31-L50 HydrophobicContact CB-CD2 3.97Å; L31-M54 HydrophobicContact CD1-CE 3.3Å; L31-M54 HydrophobicContact CD1-SD 4.36Å; L31-M54 HydrophobicContact CD2-CE 3.7Å; L31-M54 HydrophobicContact CG-CE 4.04Å |
| 32 | R | 89 | Confident | 86.8 | Confident | 70 Ų | 70 | 91.5 Ų | 91.5 | 26% | 0.264 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -98.5 | -3.5 | -179.1 | -69.6 | 171.3 | -177.8 | -176.2 | 5.1 | 113.7 | L28 D29 I30 N34 I35 S36 L50 | L28-R32 VanDerWaalsContact O-CB 3.27Å; L28-R32 WeakPolarHBondContact O-CB 3.44Å; L28-R32 WeakPolarHBondContact O-CD 3.14Å; L28-R32 WeakPolarHBondContact O-CG 3.4Å; L28-R32 PolarHBondContact O-N 2.78Å; D29-R32 CarbonylContact O-C 3.54Å; D29-R32 PolarHBondContact O-N 2.91Å; I30-R32 PolarHBondContact O-N 3.29Å; R32-N34 VanDerWaalsContact C-N 3.34Å; R32-N34 PolarHBondContact O-N 3.03Å; R32-I35 HydrophobicContact CG-CD1 4.46Å; R32-I35 CarbonylContact O-C 3.57Å; R32-I35 WeakPolarHBondContact O-CA 3.36Å; R32-I35 WeakPolarHBondContact O-CB 3.42Å; R32-I35 PolarHBondContact O-N 2.93Å; R32-S36 PolarHBondContact O-N 3.39Å; R32-L50 HydrophobicContact CG-CD2 4.02Å |
| 33 | Y | 87.1 | Confident | 87 | Confident | 146 Ų | 146 | 87.2 Ų | 87.2 | 57% | 0.573 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -52.6 | -52.5 | -173.1 | -179.2 | -104.5 | 0 | 0 | 0 | 111.5 | D29 I30 I35 S36 | D29-Y33 PolarHBondContact O-N 3.49Å; I30-Y33 WeakPolarHBondContact O-CB 3.5Å; I30-Y33 PolarHBondContact O-N 3.19Å; Y33-I35 VanDerWaalsContact C-N 3.33Å; Y33-I35 PolarHBondContact O-N 3.2Å; Y33-S36 PolarHBondContact O-N 2.97Å; Y33-S36 PolarHBondContact O-OG 3.05Å |
| 34 | N | 84.1 | Confident | 87.3 | Confident | 120 Ų | 120 | 89.8 Ų | 89.8 | 64% | 0.642 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -69.1 | -29.4 | 177.7 | -65.4 | -20.2 | 0 | 0 | 0 | 113.2 | R32 S36 M37 | R32-N34 VanDerWaalsContact C-N 3.34Å; R32-N34 PolarHBondContact O-N 3.03Å; N34-S36 VanDerWaalsContact C-N 3.3Å; N34-S36 PolarHBondContact O-N 3.39Å; N34-M37 PolarHBondContact O-N 3Å |
| 35 | I | 88.9 | Confident | 87.6 | Confident | 20 Ų | 20 | 92.4 Ų | 92.4 | 10% | 0.103 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -67.7 | -36.1 | 177.8 | -61.9 | 175.2 | 0 | 0 | 0 | 110 | R32 Y33 M37 Q38 R43 T46 R47 L50 | R32-I35 HydrophobicContact CG-CD1 4.46Å; R32-I35 CarbonylContact O-C 3.57Å; R32-I35 WeakPolarHBondContact O-CA 3.36Å; R32-I35 WeakPolarHBondContact O-CB 3.42Å; R32-I35 PolarHBondContact O-N 2.93Å; Y33-I35 VanDerWaalsContact C-N 3.33Å; Y33-I35 PolarHBondContact O-N 3.2Å; I35-M37 PolarHBondContact O-N 3.34Å; I35-Q38 WeakPolarHBondContact O-CB 3.39Å; I35-Q38 PolarHBondContact O-N 3.39Å; I35-Q38 VanDerWaalsContact O-N 3.09Å; I35-R43 HydrophobicContact CG2-CG 3.87Å; I35-R43 WeakPolarHBondContact O-CG 3.42Å; I35-T46 WeakPolarHBondContact CG2-OG1 3.41Å; I35-R47 HydrophobicContact CG2-CB 4.26Å; I35-L50 HydrophobicContact CD1-CB 4.12Å; I35-L50 HydrophobicContact CD1-CD2 3.57Å; I35-L50 HydrophobicContact CD1-CG 4.46Å |
| 36 | S | 85 | Confident | 87.9 | Confident | 61 Ų | 61 | 88.4 Ų | 88.4 | 43% | 0.427 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.2 | -20.9 | -179.3 | 78.1 | 0 | 0 | 0 | 0 | 113.6 | R32 Y33 N34 R43 | R32-S36 PolarHBondContact O-N 3.39Å; Y33-S36 PolarHBondContact O-N 2.97Å; Y33-S36 PolarHBondContact O-OG 3.05Å; N34-S36 VanDerWaalsContact C-N 3.3Å; N34-S36 PolarHBondContact O-N 3.39Å; S36-R43 PolarHBondContact O-NH1 2.9Å; S36-R43 PolarHBondContact O-NH2 2.77Å |
| 37 | M | 88 | Confident | 88.1 | Confident | 142 Ų | 142 | 92.6 Ų | 92.6 | 70% | 0.7 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -17.3 | 176.1 | -62.2 | -60.8 | -149.7 | 0 | 0 | 113.7 | N34 I35 | N34-M37 PolarHBondContact O-N 3Å; I35-M37 PolarHBondContact O-N 3.34Å |
| 38 | Q | 89.6 | Confident | 88.1 | Confident | 65 Ų | 65 | 94.5 Ų | 94.5 | 30% | 0.304 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -78.5 | 157.7 | -176.2 | -65.4 | 177.4 | -23 | 0 | 0 | 112.7 | I35 R43 T46 | I35-Q38 WeakPolarHBondContact O-CB 3.39Å; I35-Q38 PolarHBondContact O-N 3.39Å; I35-Q38 VanDerWaalsContact O-N 3.09Å; Q38-R43 HydrophobicContact CB-CB 4.14Å; Q38-R43 PolarHBondContact O-NE 3.27Å; Q38-R43 PolarHBondContact O-NH2 2.9Å; Q38-T46 VanDerWaalsContact OE1-CB 3.32Å; Q38-T46 PolarHBondContact OE1-OG1 3.46Å |
| 39 | S | 87.6 | Confident | 88.4 | Confident | 76 Ų | 76 | 93.3 Ų | 93.3 | 53% | 0.531 | 47% | 0.471 | S | S | . | . | trans | -82 | 160.5 | 179 | 80 | 0 | 0 | 0 | 0 | 112.7 | V41 E42 R43 | S39-V41 PolarHBondContact O-N 3.43Å; S39-V41 VanDerWaalsContact O-N 3.1Å; S39-E42 PolarHBondContact O-N 3.08Å; S39-R43 VanDerWaalsContact O-CB 3.32Å; S39-R43 WeakPolarHBondContact O-CB 3.5Å; S39-R43 PolarHBondContact O-N 3.21Å | ||
| 40 | G | 86.4 | Confident | 88.6 | Confident | 47 Ų | 47 | 88.3 Ų | 88.3 | 49% | 0.485 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -50.9 | -38.8 | -154.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | K44 | G40-K44 WeakPolarHBondContact O-CD 3.38Å; G40-K44 VanDerWaalsContact O-CG 3.27Å; G40-K44 WeakPolarHBondContact O-CG 3.41Å; G40-K44 PolarHBondContact O-N 3.02Å |
| 41 | V | 87.9 | Confident | 88.7 | Confident | 101 Ų | 101 | 85.5 Ų | 85.5 | 61% | 0.612 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -78.6 | -50.9 | 179.6 | -179.6 | 0 | 0 | 0 | 0 | 110.4 | S39 R43 K44 E45 | S39-V41 PolarHBondContact O-N 3.43Å; S39-V41 VanDerWaalsContact O-N 3.1Å; V41-R43 VanDerWaalsContact C-N 3.29Å; V41-R43 PolarHBondContact O-N 2.66Å; V41-K44 WeakPolarHBondContact O-CB 3.2Å; V41-K44 PolarHBondContact O-N 2.84Å; V41-E45 PolarHBondContact O-N 3.12Å |
| 42 | E | 88.6 | Confident | 88.8 | Confident | 112 Ų | 112 | 87 Ų | 87 | 52% | 0.523 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -56.5 | -45.2 | 177.1 | -63.2 | 174 | 164.7 | 0 | 0 | 110.8 | S39 K44 E45 T46 | S39-E42 PolarHBondContact O-N 3.08Å; E42-K44 VanDerWaalsContact C-N 3.27Å; E42-K44 PolarHBondContact O-N 2.71Å; E42-E45 PolarHBondContact O-N 3.48Å; E42-E45 VanDerWaalsContact O-N 3.12Å; E42-T46 WeakPolarHBondContact O-CG2 3.27Å; E42-T46 PolarHBondContact O-N 3.24Å; E42-T46 PolarHBondContact O-OG1 3.48Å |
| 43 | R | 91 | Very high | 88.8 | Confident | 107 Ų | 107 | 91.5 Ų | 91.5 | 40% | 0.404 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -55.2 | -40.7 | 175.1 | -175.1 | -175.6 | -58.2 | -162.4 | 3.4 | 112.5 | I35 S36 Q38 S39 V41 T46 R47 | I35-R43 HydrophobicContact CG2-CG 3.87Å; I35-R43 WeakPolarHBondContact O-CG 3.42Å; S36-R43 PolarHBondContact O-NH1 2.9Å; S36-R43 PolarHBondContact O-NH2 2.77Å; Q38-R43 HydrophobicContact CB-CB 4.14Å; Q38-R43 PolarHBondContact O-NE 3.27Å; Q38-R43 PolarHBondContact O-NH2 2.9Å; S39-R43 VanDerWaalsContact O-CB 3.32Å; S39-R43 WeakPolarHBondContact O-CB 3.5Å; S39-R43 PolarHBondContact O-N 3.21Å; V41-R43 VanDerWaalsContact C-N 3.29Å; V41-R43 PolarHBondContact O-N 2.66Å; R43-T46 PolarHBondContact O-OG1 3.05Å; R43-R47 WeakPolarHBondContact O-CB 3.28Å; R43-R47 PolarHBondContact O-N 3.1Å; R43-R47 VanDerWaalsContact O-N 3.08Å |
| 44 | K | 89.1 | Confident | 88.9 | Confident | 147 Ų | 147 | 87.1 Ų | 87.1 | 64% | 0.639 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -69.9 | -40.9 | 179.2 | -75.5 | 171.7 | -175.9 | 178.5 | 0 | 110.9 | G40 V41 E42 K48 | G40-K44 WeakPolarHBondContact O-CD 3.38Å; G40-K44 VanDerWaalsContact O-CG 3.27Å; G40-K44 WeakPolarHBondContact O-CG 3.41Å; G40-K44 PolarHBondContact O-N 3.02Å; V41-K44 WeakPolarHBondContact O-CB 3.2Å; V41-K44 PolarHBondContact O-N 2.84Å; E42-K44 VanDerWaalsContact C-N 3.27Å; E42-K44 PolarHBondContact O-N 2.71Å; K44-K48 VanDerWaalsContact O-CB 3.28Å; K44-K48 WeakPolarHBondContact O-CB 3.46Å; K44-K48 PolarHBondContact O-N 3.04Å |
| 45 | E | 89.9 | Confident | 89.1 | Confident | 126 Ų | 126 | 84.6 Ų | 84.6 | 59% | 0.589 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -70 | -43.8 | -179.8 | -68.6 | -177.8 | 174 | 0 | 0 | 112.4 | V41 E42 K48 S49 | V41-E45 PolarHBondContact O-N 3.12Å; E42-E45 PolarHBondContact O-N 3.48Å; E42-E45 VanDerWaalsContact O-N 3.12Å; E45-K48 WeakPolarHBondContact O-CB 3.29Å; E45-K48 PolarHBondContact O-N 2.96Å; E45-S49 PolarHBondContact O-N 3.47Å; E45-S49 PolarHBondContact O-OG 2.97Å |
| 46 | T | 91.3 | Very high | 89.1 | Confident | 37 Ų | 37 | 85.8 Ų | 85.8 | 23% | 0.227 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -66.8 | -39.6 | 175.9 | 56.2 | 0 | 0 | 0 | 0 | 112 | I35 Q38 E42 R43 K48 S49 L50 | I35-T46 WeakPolarHBondContact CG2-OG1 3.41Å; Q38-T46 VanDerWaalsContact OE1-CB 3.32Å; Q38-T46 PolarHBondContact OE1-OG1 3.46Å; E42-T46 WeakPolarHBondContact O-CG2 3.27Å; E42-T46 PolarHBondContact O-N 3.24Å; E42-T46 PolarHBondContact O-OG1 3.48Å; R43-T46 PolarHBondContact O-OG1 3.05Å; T46-K48 VanDerWaalsContact C-N 3.33Å; T46-K48 PolarHBondContact O-N 2.87Å; T46-S49 WeakPolarHBondContact CA-OG 3.5Å; T46-S49 PolarHBondContact O-N 2.93Å; T46-S49 PolarHBondContact O-OG 3.07Å; T46-L50 WeakPolarHBondContact O-CB 3.44Å; T46-L50 PolarHBondContact O-N 3.09Å |
| 47 | R | 91 | Very high | 89.4 | Confident | 123 Ų | 123 | 92.4 Ų | 92.4 | 46% | 0.464 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 172 | -170.1 | 175.3 | 72.2 | 171.4 | 4.3 | 111.6 | I35 R43 L51 | I35-R47 HydrophobicContact CG2-CB 4.26Å; R43-R47 WeakPolarHBondContact O-CB 3.28Å; R43-R47 PolarHBondContact O-N 3.1Å; R43-R47 VanDerWaalsContact O-N 3.08Å; R47-L51 HydrophobicContact CG-CD1 4.29Å; R47-L51 VanDerWaalsContact O-CG 3.29Å; R47-L51 WeakPolarHBondContact O-CG 3.38Å; R47-L51 PolarHBondContact O-N 3.42Å |
| 48 | K | 89.4 | Confident | 89.4 | Confident | 118 Ų | 118 | 94 Ų | 94 | 51% | 0.513 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 177.6 | -177.2 | -177.4 | 177.4 | -173.3 | 0 | 111.2 | K44 E45 T46 L51 L52 | K44-K48 VanDerWaalsContact O-CB 3.28Å; K44-K48 WeakPolarHBondContact O-CB 3.46Å; K44-K48 PolarHBondContact O-N 3.04Å; E45-K48 WeakPolarHBondContact O-CB 3.29Å; E45-K48 PolarHBondContact O-N 2.96Å; T46-K48 VanDerWaalsContact C-N 3.33Å; T46-K48 PolarHBondContact O-N 2.87Å; K48-L51 PolarHBondContact O-N 3.48Å; K48-L52 HydrophobicContact CG-CD1 4.39Å; K48-L52 WeakPolarHBondContact O-CG 3.34Å; K48-L52 PolarHBondContact O-N 3.36Å; K48-L52 VanDerWaalsContact O-N 3.1Å |
| 49 | S | 90.2 | Very high | 89.1 | Confident | 56 Ų | 56 | 94.6 Ų | 94.6 | 39% | 0.392 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.6 | -40.4 | 179.4 | 70.6 | 0 | 0 | 0 | 0 | 112.2 | E45 T46 L52 K53 | E45-S49 PolarHBondContact O-N 3.47Å; E45-S49 PolarHBondContact O-OG 2.97Å; T46-S49 WeakPolarHBondContact CA-OG 3.5Å; T46-S49 PolarHBondContact O-N 2.93Å; T46-S49 PolarHBondContact O-OG 3.07Å; S49-L52 PolarHBondContact O-N 2.85Å; S49-K53 WeakPolarHBondContact O-CG 3.28Å; S49-K53 PolarHBondContact O-N 2.94Å |
| 50 | L | 91.2 | Very high | 88.9 | Confident | 26 Ų | 26 | 100.2 Ų | 100.2 | 14% | 0.136 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -58.6 | -50.4 | 173.5 | 177.1 | 64.5 | 0 | 0 | 0 | 111.3 | L31 R32 I35 T46 L52 K53 M54 | L31-L50 HydrophobicContact CB-CD2 3.97Å; R32-L50 HydrophobicContact CG-CD2 4.02Å; I35-L50 HydrophobicContact CD1-CB 4.12Å; I35-L50 HydrophobicContact CD1-CD2 3.57Å; I35-L50 HydrophobicContact CD1-CG 4.46Å; T46-L50 WeakPolarHBondContact O-CB 3.44Å; T46-L50 PolarHBondContact O-N 3.09Å; L50-L52 VanDerWaalsContact C-N 3.28Å; L50-L52 PolarHBondContact O-N 3.35Å; L50-K53 WeakPolarHBondContact O-CB 3.44Å; L50-K53 PolarHBondContact O-N 3.4Å; L50-K53 VanDerWaalsContact O-N 3.09Å; L50-M54 HydrophobicContact CD1-CE 3.75Å; L50-M54 HydrophobicContact CD1-CG 4.48Å; L50-M54 VanDerWaalsContact O-CG 3.28Å; L50-M54 WeakPolarHBondContact O-CG 3.44Å; L50-M54 PolarHBondContact O-N 3.33Å |
| 51 | L | 89.9 | Confident | 88.6 | Confident | 56 Ų | 56 | 104.7 Ų | 104.7 | 29% | 0.293 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.5 | -38.6 | 179.7 | -72.4 | 173.4 | 0 | 0 | 0 | 112.2 | R47 K48 M54 G55 A56 | R47-L51 HydrophobicContact CG-CD1 4.29Å; R47-L51 VanDerWaalsContact O-CG 3.29Å; R47-L51 WeakPolarHBondContact O-CG 3.38Å; R47-L51 PolarHBondContact O-N 3.42Å; K48-L51 PolarHBondContact O-N 3.48Å; L51-M54 CarbonylContact O-C 3.6Å; L51-M54 WeakPolarHBondContact O-CB 3.49Å; L51-M54 PolarHBondContact O-N 3.09Å; L51-M54 VanDerWaalsContact O-N 3.17Å; L51-G55 PolarHBondContact O-N 3.21Å; L51-A56 HydrophobicContact CB-CB 3.91Å; L51-A56 WeakPolarHBondContact O-CB 3.06Å; L51-A56 PolarHBondContact O-N 3.22Å |
| 52 | L | 90.5 | Very high | 88.1 | Confident | 71 Ų | 71 | 104.6 Ų | 104.6 | 37% | 0.372 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.8 | -39.5 | 175 | -72.2 | 170.1 | 0 | 0 | 0 | 112.2 | K48 S49 L50 M54 G55 K58 | K48-L52 HydrophobicContact CG-CD1 4.39Å; K48-L52 WeakPolarHBondContact O-CG 3.34Å; K48-L52 PolarHBondContact O-N 3.36Å; K48-L52 VanDerWaalsContact O-N 3.1Å; S49-L52 PolarHBondContact O-N 2.85Å; L50-L52 VanDerWaalsContact C-N 3.28Å; L50-L52 PolarHBondContact O-N 3.35Å; L52-M54 PolarHBondContact O-N 3.33Å; L52-G55 PolarHBondContact O-N 2.94Å; L52-G55 VanDerWaalsContact O-N 3.15Å; L52-K58 HydrophobicContact CD2-CG 4.15Å |
| 53 | K | 88.9 | Confident | 87.8 | Confident | 165 Ų | 165 | 109.1 Ų | 109.1 | 72% | 0.717 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.5 | -31.9 | 173.1 | -70 | 178.3 | -179.9 | -178 | 0 | 112.2 | S49 L50 G55 | S49-K53 WeakPolarHBondContact O-CG 3.28Å; S49-K53 PolarHBondContact O-N 2.94Å; L50-K53 WeakPolarHBondContact O-CB 3.44Å; L50-K53 PolarHBondContact O-N 3.4Å; L50-K53 VanDerWaalsContact O-N 3.09Å; K53-G55 PolarHBondContact O-N 3.38Å |
| 54 | M | 87.9 | Confident | 87.3 | Confident | 54 Ų | 54 | 108.7 Ų | 108.7 | 27% | 0.266 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 4 | 175.8 | -62.8 | -70.2 | 172.9 | 0 | 0 | 114 | L23 L31 L50 L51 L52 | L23-M54 HydrophobicContact CB-CE 3.69Å; L23-M54 HydrophobicContact CB-SD 3.61Å; L23-M54 HydrophobicContact CD1-CE 4.31Å; L23-M54 HydrophobicContact CD2-CE 3.99Å; L23-M54 HydrophobicContact CG-CE 4.22Å; L31-M54 HydrophobicContact CD1-CE 3.3Å; L31-M54 HydrophobicContact CD1-SD 4.36Å; L31-M54 HydrophobicContact CD2-CE 3.7Å; L31-M54 HydrophobicContact CG-CE 4.04Å; L50-M54 HydrophobicContact CD1-CE 3.75Å; L50-M54 HydrophobicContact CD1-CG 4.48Å; L50-M54 VanDerWaalsContact O-CG 3.28Å; L50-M54 WeakPolarHBondContact O-CG 3.44Å; L50-M54 PolarHBondContact O-N 3.33Å; L51-M54 CarbonylContact O-C 3.6Å; L51-M54 WeakPolarHBondContact O-CB 3.49Å; L51-M54 PolarHBondContact O-N 3.09Å; L51-M54 VanDerWaalsContact O-N 3.17Å; L52-M54 PolarHBondContact O-N 3.33Å |
| 55 | G | 88.8 | Confident | 87.3 | Confident | 66 Ų | 66 | 104 Ų | 104 | 68% | 0.68 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | 15.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L51 L52 K53 | L51-G55 PolarHBondContact O-N 3.21Å; L52-G55 PolarHBondContact O-N 2.94Å; L52-G55 VanDerWaalsContact O-N 3.15Å; K53-G55 PolarHBondContact O-N 3.38Å |
| 56 | A | 89.3 | Confident | 87.3 | Confident | 45 Ų | 45 | 105.8 Ų | 105.8 | 37% | 0.372 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 147.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L51 K58 | L51-A56 HydrophobicContact CB-CB 3.91Å; L51-A56 WeakPolarHBondContact O-CB 3.06Å; L51-A56 PolarHBondContact O-N 3.22Å; A56-K58 PolarHBondContact O-N 3.17Å |
| 57 | K | 90.1 | Very high | 87.4 | Confident | 200 Ų | 200 | 111.7 Ų | 111.7 | 87% | 0.87 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 136.1 | 178.4 | -68.9 | -179.9 | 179.8 | 173.5 | 0 | 110.5 | ||
| 58 | K | 88 | Confident | 87.4 | Confident | 177 Ų | 177 | 110.8 Ų | 110.8 | 77% | 0.77 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 142.3 | 172.6 | -67 | -179.5 | -178.6 | 177.6 | 0 | 109.8 | L52 A56 K60 | L52-K58 HydrophobicContact CD2-CG 4.15Å; A56-K58 PolarHBondContact O-N 3.17Å; K58-K60 PolarHBondContact O-N 3.15Å |
| 59 | P | 84.9 | Confident | 87.6 | Confident | 76 Ų | 76 | 107.3 Ų | 107.3 | 49% | 0.494 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 126.3 | 176.2 | 25.6 | -33.4 | 0 | 0 | 0 | 109.2 | N61 | P59-N61 PolarHBondContact O-N 3.31Š|
| 60 | K | 83.2 | Confident | 87.8 | Confident | 195 Ų | 195 | 108.2 Ų | 108.2 | 85% | 0.848 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -64.5 | -41.9 | -174.1 | -72.7 | -174 | 177 | -177 | 0 | 112.2 | K58 | K58-K60 PolarHBondContact O-N 3.15Š|
| 61 | N | 78.4 | Confident | 87.9 | Confident | 140 Ų | 140 | 112.1 Ų | 112.1 | 75% | 0.749 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -148.4 | 130.6 | 175.4 | -70.2 | -47.4 | 0 | 0 | 0 | 108.2 | P59 | P59-N61 PolarHBondContact O-N 3.31Š|
| 62 | P | 79.4 | Confident | 88.1 | Confident | 99 Ų | 99 | 114 Ų | 114 | 64% | 0.643 | 56% | 0.562 | S | S | * | * | trans | -59.7 | 148.5 | 167.7 | 27.7 | -32.5 | 0 | 0 | 0 | 109.1 | I64 | P62-I64 PolarHBondContact O-N 3.41Š| ||
| 63 | Y | 80.2 | Confident | 88.2 | Confident | 208 Ų | 208 | 116.8 Ų | 116.8 | 82% | 0.816 | 57% | 0.571 | S | S | * | * | trans | -58.6 | 132.8 | 167.3 | 172.2 | -96.6 | 0 | 0 | 0 | 108.5 | N65 | Y63-N65 HydrophobicContact CE1-CB 4.2Š| ||
| 64 | I | 82.2 | Confident | 88.5 | Confident | 98 Ų | 98 | 113.2 Ų | 113.2 | 50% | 0.503 | 56% | 0.563 | S | S | . | * | trans | -122.5 | 121.5 | 175.2 | -53.9 | 171.6 | 0 | 0 | 0 | 107.2 | P62 Y66 L69 | P62-I64 PolarHBondContact O-N 3.41Å; I64-Y66 PolarHBondContact O-N 3.35Å; I64-L69 HydrophobicContact CD1-CD1 4.36Å; I64-L69 HydrophobicContact CG2-CB 3.74Å; I64-L69 HydrophobicContact CG2-CD1 3.86Å; I64-L69 HydrophobicContact CG2-CG 4.41Å | ||
| 65 | N | 89.1 | Confident | 88.7 | Confident | 48 Ų | 48 | 116.5 Ų | 116.5 | 26% | 0.257 | 58% | 0.576 | S | S | . | * | trans | -64.7 | 117.9 | 170.1 | 178.8 | -9.3 | 0 | 0 | 0 | 108.6 | Y63 K67 E68 L69 | Y63-N65 HydrophobicContact CE1-CB 4.2Å; N65-K67 PolarHBondContact O-N 2.92Å; N65-K67 PolarHBondContact OD1-N 3.09Å; N65-K67 VanDerWaalsContact OD1-N 3.09Å; N65-E68 HydrophobicContact CB-CB 4.09Å; N65-E68 HydrophobicContact CB-CG 4.01Å; N65-E68 PolarHBondContact ND2-OE1 3.41Å; N65-E68 PolarHBondContact O-N 3.02Å; N65-E68 VanDerWaalsContact O-N 3.09Å; N65-L69 PolarHBondContact O-N 3.01Å | ||
| 66 | Y | 89.8 | Confident | 88.9 | Confident | 164 Ų | 164 | 115.9 Ų | 115.9 | 64% | 0.643 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -57.9 | -36.1 | -175.9 | -176.5 | -101.6 | 0 | 0 | 0 | 112.5 | I64 L69 M70 | I64-Y66 PolarHBondContact O-N 3.35Å; Y66-L69 HydrophobicContact CD2-CD2 4.44Å; Y66-L69 HydrophobicContact CE2-CD2 4.46Å; Y66-L69 PolarHBondContact O-N 3.35Å; Y66-M70 HydrophobicContact CD1-CG 4.21Å; Y66-M70 HydrophobicContact CE1-CG 3.76Å; Y66-M70 HydrophobicContact CE2-CG 4.25Å; Y66-M70 HydrophobicContact CE2-SD 4.33Å; Y66-M70 WeakPolarHBondContact O-CG 3.35Å; Y66-M70 PolarHBondContact O-N 3.23Å |
| 67 | K | 92.1 | Very high | 89.1 | Confident | 160 Ų | 160 | 120.2 Ų | 120.2 | 70% | 0.696 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.1 | -45.6 | 177.4 | -66.3 | -175.6 | 178.5 | -178.8 | 0 | 111.1 | N65 M70 Q71 | N65-K67 PolarHBondContact O-N 2.92Å; N65-K67 PolarHBondContact OD1-N 3.09Å; N65-K67 VanDerWaalsContact OD1-N 3.09Å; K67-M70 PolarHBondContact O-N 3.44Å; K67-Q71 WeakPolarHBondContact O-CG 3.47Å; K67-Q71 PolarHBondContact O-N 2.86Å |
| 68 | E | 92.8 | Very high | 89.1 | Confident | 104 Ų | 104 | 113.4 Ų | 113.4 | 49% | 0.486 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.1 | -39.5 | 176.9 | -69.5 | 166.2 | -151.3 | 0 | 0 | 111.7 | N65 M70 Q71 N72 | N65-E68 HydrophobicContact CB-CB 4.09Å; N65-E68 HydrophobicContact CB-CG 4.01Å; N65-E68 PolarHBondContact ND2-OE1 3.41Å; N65-E68 PolarHBondContact O-N 3.02Å; N65-E68 VanDerWaalsContact O-N 3.09Å; E68-M70 VanDerWaalsContact C-N 3.31Å; E68-M70 PolarHBondContact O-N 3.01Å; E68-Q71 PolarHBondContact O-N 3.48Å; E68-N72 WeakPolarHBondContact O-CB 3.39Å; E68-N72 VanDerWaalsContact O-CG 3.25Å; E68-N72 PolarHBondContact O-N 2.67Å; E68-N72 PolarHBondContact O-ND2 3.49Å |
| 69 | L | 91.9 | Very high | 89.2 | Confident | 46 Ų | 46 | 111.3 Ų | 111.3 | 24% | 0.241 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -58.8 | -43.9 | 175.1 | 177.3 | 140.1 | 0 | 0 | 0 | 111.8 | I64 N65 Y66 N72 K73 | I64-L69 HydrophobicContact CD1-CD1 4.36Å; I64-L69 HydrophobicContact CG2-CB 3.74Å; I64-L69 HydrophobicContact CG2-CD1 3.86Å; I64-L69 HydrophobicContact CG2-CG 4.41Å; N65-L69 PolarHBondContact O-N 3.01Å; Y66-L69 HydrophobicContact CD2-CD2 4.44Å; Y66-L69 HydrophobicContact CE2-CD2 4.46Å; Y66-L69 PolarHBondContact O-N 3.35Å; L69-N72 PolarHBondContact O-N 3.3Å; L69-K73 HydrophobicContact CD2-CD 3.99Å; L69-K73 WeakPolarHBondContact O-CG 3.37Å; L69-K73 PolarHBondContact O-N 2.96Å |
| 70 | M | 95.2 | Very high | 89.3 | Confident | 75 Ų | 75 | 110.5 Ų | 110.5 | 37% | 0.369 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.5 | -42.1 | 178.4 | -69.3 | -56.3 | -65.2 | 0 | 0 | 111.6 | Y66 K67 E68 N72 K73 T74 | Y66-M70 HydrophobicContact CD1-CG 4.21Å; Y66-M70 HydrophobicContact CE1-CG 3.76Å; Y66-M70 HydrophobicContact CE2-CG 4.25Å; Y66-M70 HydrophobicContact CE2-SD 4.33Å; Y66-M70 WeakPolarHBondContact O-CG 3.35Å; Y66-M70 PolarHBondContact O-N 3.23Å; K67-M70 PolarHBondContact O-N 3.44Å; E68-M70 VanDerWaalsContact C-N 3.31Å; E68-M70 PolarHBondContact O-N 3.01Å; M70-N72 VanDerWaalsContact C-N 3.34Å; M70-N72 PolarHBondContact O-N 3.23Å; M70-K73 PolarHBondContact O-N 3.29Å; M70-K73 HydrophobicContact SD-CD 4.27Å; M70-T74 WeakPolarHBondContact O-CG2 3.34Å; M70-T74 PolarHBondContact O-N 2.95Å; M70-T74 PolarHBondContact O-OG1 3.35Å |
| 71 | Q | 94 | Very high | 89.4 | Confident | 108 Ų | 108 | 106.5 Ų | 106.5 | 51% | 0.505 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.3 | -44.6 | 174.2 | -73.3 | 176.6 | -2.2 | 0 | 0 | 111.9 | K67 E68 K73 T74 K75 | K67-Q71 WeakPolarHBondContact O-CG 3.47Å; K67-Q71 PolarHBondContact O-N 2.86Å; E68-Q71 PolarHBondContact O-N 3.48Å; Q71-K73 PolarHBondContact O-N 3.45Å; Q71-T74 WeakPolarHBondContact CA-OG1 3.39Å; Q71-T74 PolarHBondContact O-N 3.49Å; Q71-T74 PolarHBondContact O-OG1 3.06Å; Q71-K75 WeakPolarHBondContact O-CG 3.4Å; Q71-K75 PolarHBondContact O-N 3.46Å |
| 72 | N | 93.2 | Very high | 89.5 | Confident | 96 Ų | 96 | 102.3 Ų | 102.3 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.1 | -38.8 | 178.2 | -70.2 | -14.9 | 0 | 0 | 0 | 112 | E68 L69 M70 T74 K75 A76 | E68-N72 WeakPolarHBondContact O-CB 3.39Å; E68-N72 VanDerWaalsContact O-CG 3.25Å; E68-N72 PolarHBondContact O-N 2.67Å; E68-N72 PolarHBondContact O-ND2 3.49Å; L69-N72 PolarHBondContact O-N 3.3Å; M70-N72 VanDerWaalsContact C-N 3.34Å; M70-N72 PolarHBondContact O-N 3.23Å; N72-T74 VanDerWaalsContact C-N 3.33Å; N72-T74 PolarHBondContact O-N 3.28Å; N72-K75 PolarHBondContact O-N 3.39Å; N72-A76 WeakPolarHBondContact O-CB 3.42Å; N72-A76 PolarHBondContact O-N 3.08Å |
| 73 | K | 93.6 | Very high | 89.3 | Confident | 129 Ų | 129 | 102.9 Ų | 102.9 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.8 | -41.8 | 172.5 | -78.4 | -178.5 | 175.6 | -176.2 | 0 | 112.1 | L69 M70 Q71 K77 | L69-K73 HydrophobicContact CD2-CD 3.99Å; L69-K73 WeakPolarHBondContact O-CG 3.37Å; L69-K73 PolarHBondContact O-N 2.96Å; M70-K73 PolarHBondContact O-N 3.29Å; M70-K73 HydrophobicContact SD-CD 4.27Å; Q71-K73 PolarHBondContact O-N 3.45Å; K73-K77 WeakPolarHBondContact O-CB 3.36Å; K73-K77 PolarHBondContact O-N 3.47Å; K73-K77 VanDerWaalsContact O-N 3.08Å |
| 74 | T | 93.6 | Very high | 89 | Confident | 90 Ų | 90 | 95.6 Ų | 95.6 | 55% | 0.552 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.1 | -42 | 177 | 52.9 | 0 | 0 | 0 | 0 | 112.3 | M70 Q71 N72 K77 A78 | M70-T74 WeakPolarHBondContact O-CG2 3.34Å; M70-T74 PolarHBondContact O-N 2.95Å; M70-T74 PolarHBondContact O-OG1 3.35Å; Q71-T74 WeakPolarHBondContact CA-OG1 3.39Å; Q71-T74 PolarHBondContact O-N 3.49Å; Q71-T74 PolarHBondContact O-OG1 3.06Å; N72-T74 VanDerWaalsContact C-N 3.33Å; N72-T74 PolarHBondContact O-N 3.28Å; T74-K77 PolarHBondContact O-N 2.98Å; T74-A78 PolarHBondContact O-N 2.89Å |
| 75 | K | 93.6 | Very high | 88.3 | Confident | 122 Ų | 122 | 97.8 Ų | 97.8 | 53% | 0.53 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.1 | -48.2 | 176 | -72 | 177.5 | 179.3 | -179.9 | 0 | 111.9 | Q71 N72 K77 A78 E79 | Q71-K75 WeakPolarHBondContact O-CG 3.4Å; Q71-K75 PolarHBondContact O-N 3.46Å; N72-K75 PolarHBondContact O-N 3.39Å; K75-K77 VanDerWaalsContact C-N 3.27Å; K75-K77 PolarHBondContact O-N 2.9Å; K75-A78 PolarHBondContact O-N 3.31Å; K75-A78 VanDerWaalsContact O-N 3.13Å; K75-E79 WeakPolarHBondContact O-CG 3.47Å; K75-E79 PolarHBondContact O-N 3.13Å |
| 76 | A | 92.9 | Very high | 87.1 | Confident | 54 Ų | 54 | 100.2 Ų | 100.2 | 45% | 0.446 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.9 | -35.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N72 A80 | N72-A76 WeakPolarHBondContact O-CB 3.42Å; N72-A76 PolarHBondContact O-N 3.08Å; A76-A80 VanDerWaalsContact O-CB 3.32Å; A76-A80 WeakPolarHBondContact O-CB 3.41Å; A76-A80 PolarHBondContact O-N 2.93Å |
| 77 | K | 92.7 | Very high | 85.8 | Confident | 136 Ų | 136 | 100 Ų | 100 | 59% | 0.591 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.9 | -45.5 | 174.6 | -167.6 | -176.2 | -178.6 | -158.2 | 0 | 111.5 | K73 T74 K75 A80 E81 | K73-K77 WeakPolarHBondContact O-CB 3.36Å; K73-K77 PolarHBondContact O-N 3.47Å; K73-K77 VanDerWaalsContact O-N 3.08Å; T74-K77 PolarHBondContact O-N 2.98Å; K75-K77 VanDerWaalsContact C-N 3.27Å; K75-K77 PolarHBondContact O-N 2.9Å; K77-A80 PolarHBondContact O-N 3.29Å; K77-E81 WeakPolarHBondContact CE-OE1 3.43Å; K77-E81 IonicContact NZ-OE1 3.76Å; K77-E81 WeakPolarHBondContact O-CB 3.49Å; K77-E81 WeakPolarHBondContact O-CG 3.32Å; K77-E81 PolarHBondContact O-N 3.36Å |
| 78 | A | 89.8 | Confident | 84.4 | Confident | 57 Ų | 57 | 95.5 Ų | 95.5 | 47% | 0.471 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T74 K75 E81 A82 | T74-A78 PolarHBondContact O-N 2.89Å; K75-A78 PolarHBondContact O-N 3.31Å; K75-A78 VanDerWaalsContact O-N 3.13Å; A78-E81 PolarHBondContact O-N 2.99Å; A78-A82 WeakPolarHBondContact O-CB 3.39Å; A78-A82 PolarHBondContact O-N 2.87Å |
| 79 | E | 90.3 | Very high | 82.8 | Confident | 133 Ų | 133 | 93.1 Ų | 93.1 | 62% | 0.621 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.4 | -42.3 | 174.9 | -72.9 | 169 | -162.6 | 0 | 0 | 112 | K75 A82 F83 | K75-E79 WeakPolarHBondContact O-CG 3.47Å; K75-E79 PolarHBondContact O-N 3.13Å; E79-A82 PolarHBondContact O-N 3.46Å; E79-F83 VanDerWaalsContact O-CB 3.29Å; E79-F83 WeakPolarHBondContact O-CB 3.46Å; E79-F83 PolarHBondContact O-N 2.9Å |
| 80 | A | 87.4 | Confident | 81.2 | Confident | 59 Ų | 59 | 95.7 Ų | 95.7 | 49% | 0.488 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.9 | -37.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A76 K77 A84 | A76-A80 VanDerWaalsContact O-CB 3.32Å; A76-A80 WeakPolarHBondContact O-CB 3.41Å; A76-A80 PolarHBondContact O-N 2.93Å; K77-A80 PolarHBondContact O-N 3.29Å; A80-A84 WeakPolarHBondContact O-CB 3.16Å; A80-A84 PolarHBondContact O-N 3.37Å |
| 81 | E | 85.4 | Confident | 79.5 | Confident | 111 Ų | 111 | 100.6 Ų | 100.6 | 52% | 0.519 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.7 | -43.5 | 175.2 | -74.8 | 173 | -170.5 | 0 | 0 | 111.6 | K77 A78 F83 A84 F85 | K77-E81 WeakPolarHBondContact CE-OE1 3.43Å; K77-E81 IonicContact NZ-OE1 3.76Å; K77-E81 WeakPolarHBondContact O-CB 3.49Å; K77-E81 WeakPolarHBondContact O-CG 3.32Å; K77-E81 PolarHBondContact O-N 3.36Å; A78-E81 PolarHBondContact O-N 2.99Å; E81-F83 PolarHBondContact O-N 3.22Å; E81-A84 PolarHBondContact O-N 2.88Å; E81-F85 WeakPolarHBondContact O-CB 3.34Å; E81-F85 PolarHBondContact O-N 3.44Å |
| 82 | A | 81.4 | Confident | 77.7 | Confident | 52 Ų | 52 | 100.3 Ų | 100.3 | 43% | 0.43 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A78 E79 A84 F85 D86 | A78-A82 WeakPolarHBondContact O-CB 3.39Å; A78-A82 PolarHBondContact O-N 2.87Å; E79-A82 PolarHBondContact O-N 3.46Å; A82-A84 VanDerWaalsContact C-N 3.35Å; A82-A84 PolarHBondContact O-N 2.88Å; A82-F85 WeakPolarHBondContact O-CB 3.38Å; A82-F85 PolarHBondContact O-N 3.28Å; A82-D86 PolarHBondContact O-N 3.49Å |
| 83 | F | 75.1 | Confident | 76.1 | Confident | 110 Ų | 110 | 101.2 Ų | 101.2 | 48% | 0.482 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.6 | -35.8 | 176.8 | -177.2 | -109.4 | 0 | 0 | 0 | 113.1 | E79 E81 R87 | E79-F83 VanDerWaalsContact O-CB 3.29Å; E79-F83 WeakPolarHBondContact O-CB 3.46Å; E79-F83 PolarHBondContact O-N 2.9Å; E81-F83 PolarHBondContact O-N 3.22Å; F83-R87 HydrophobicContact CE1-CG 4.39Å; F83-R87 VanDerWaalsContact CE1-NH2 3.3Å; F83-R87 HydrophobicContact CZ-CG 4.39Å; F83-R87 VanDerWaalsContact CZ-NE 3.29Å; F83-R87 WeakPolarHBondContact O-CB 3.29Å; F83-R87 PolarHBondContact O-N 2.89Å |
| 84 | A | 72.5 | Confident | 74.4 | Confident | 56 Ų | 56 | 105.1 Ų | 105.1 | 46% | 0.463 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.1 | -39.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A80 E81 A82 R87 S88 | A80-A84 WeakPolarHBondContact O-CB 3.16Å; A80-A84 PolarHBondContact O-N 3.37Å; E81-A84 PolarHBondContact O-N 2.88Å; A82-A84 VanDerWaalsContact C-N 3.35Å; A82-A84 PolarHBondContact O-N 2.88Å; A84-R87 PolarHBondContact O-N 2.72Å; A84-S88 WeakPolarHBondContact O-CB 3.34Å; A84-S88 PolarHBondContact O-N 2.86Å; A84-S88 PolarHBondContact O-OG 3.41Å |
| 85 | F | 67.5 | Low | 72.7 | Confident | 143 Ų | 143 | 109.1 Ų | 109.1 | 63% | 0.627 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -61.4 | -50.3 | 173.6 | -178.1 | -97.7 | 0 | 0 | 0 | 111 | E81 A82 R87 S88 A89 | E81-F85 WeakPolarHBondContact O-CB 3.34Å; E81-F85 PolarHBondContact O-N 3.44Å; A82-F85 WeakPolarHBondContact O-CB 3.38Å; A82-F85 PolarHBondContact O-N 3.28Å; F85-R87 PolarHBondContact O-N 3.48Å; F85-S88 PolarHBondContact O-N 2.87Å; F85-S88 PolarHBondContact O-OG 2.82Å; F85-A89 WeakPolarHBondContact O-CB 3.38Å; F85-A89 PolarHBondContact O-N 3.49Å |
| 86 | D | 64.5 | Low | 70.9 | Confident | 100 Ų | 100 | 109 Ų | 109 | 54% | 0.535 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.7 | -41.4 | 177.7 | -73.8 | -19.7 | 0 | 0 | 0 | 112.3 | A82 S88 A89 S90 | A82-D86 PolarHBondContact O-N 3.49Å; D86-S88 PolarHBondContact O-N 3.37Å; D86-A89 PolarHBondContact O-N 3.06Å; D86-S90 WeakPolarHBondContact O-CB 3.43Å; D86-S90 PolarHBondContact O-N 3.14Å; D86-S90 PolarHBondContact O-OG 2.94Å; D86-S90 VanDerWaalsContact O-OG 3.14Å |
| 87 | R | 63.5 | Low | 69.4 | Low | 159 Ų | 159 | 110 Ų | 110 | 60% | 0.6 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -60.7 | -44.9 | 171.8 | -87.8 | -171.1 | 179.1 | 170.5 | 2.1 | 111.5 | F83 A84 F85 S90 F91 | F83-R87 HydrophobicContact CE1-CG 4.39Å; F83-R87 VanDerWaalsContact CE1-NH2 3.3Å; F83-R87 HydrophobicContact CZ-CG 4.39Å; F83-R87 VanDerWaalsContact CZ-NE 3.29Å; F83-R87 WeakPolarHBondContact O-CB 3.29Å; F83-R87 PolarHBondContact O-N 2.89Å; A84-R87 PolarHBondContact O-N 2.72Å; F85-R87 PolarHBondContact O-N 3.48Å; R87-S90 WeakPolarHBondContact CA-OG 3.45Å; R87-S90 PolarHBondContact O-N 3.41Å; R87-S90 PolarHBondContact O-OG 2.85Å; R87-F91 VanDerWaalsContact O-CB 3.24Å; R87-F91 WeakPolarHBondContact O-CB 3.46Å; R87-F91 PolarHBondContact O-N 3.32Å |
| 88 | S | 61 | Low | 67.7 | Low | 66 Ų | 66 | 110.5 Ų | 110.5 | 46% | 0.462 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.7 | -37.4 | -179.8 | 74.2 | 0 | 0 | 0 | 0 | 112.3 | A84 F85 D86 F91 V92 | A84-S88 WeakPolarHBondContact O-CB 3.34Å; A84-S88 PolarHBondContact O-N 2.86Å; A84-S88 PolarHBondContact O-OG 3.41Å; F85-S88 PolarHBondContact O-N 2.87Å; F85-S88 PolarHBondContact O-OG 2.82Å; D86-S88 PolarHBondContact O-N 3.37Å; S88-F91 CarbonylContact O-C 3.6Å; S88-F91 PolarHBondContact O-N 3.23Å; S88-V92 WeakPolarHBondContact O-CG2 3.24Å; S88-V92 PolarHBondContact O-N 3.23Å |
| 89 | A | 60 | Low | 66.2 | Low | 54 Ų | 54 | 116.8 Ų | 116.8 | 45% | 0.446 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.5 | -42.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F85 D86 F91 V92 | F85-A89 WeakPolarHBondContact O-CB 3.38Å; F85-A89 PolarHBondContact O-N 3.49Å; D86-A89 PolarHBondContact O-N 3.06Å; A89-F91 VanDerWaalsContact C-N 3.27Å; A89-F91 PolarHBondContact O-N 3.42Å; A89-V92 PolarHBondContact O-N 2.87Å |
| 90 | S | 59 | Low | 64.6 | Low | 100 Ų | 100 | 115.7 Ų | 115.7 | 70% | 0.699 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -70.1 | -22.9 | 173.8 | 70.1 | 0 | 0 | 0 | 0 | 113.3 | D86 R87 V92 | D86-S90 WeakPolarHBondContact O-CB 3.43Å; D86-S90 PolarHBondContact O-N 3.14Å; D86-S90 PolarHBondContact O-OG 2.94Å; D86-S90 VanDerWaalsContact O-OG 3.14Å; R87-S90 WeakPolarHBondContact CA-OG 3.45Å; R87-S90 PolarHBondContact O-N 3.41Å; R87-S90 PolarHBondContact O-OG 2.85Å; S90-V92 VanDerWaalsContact C-N 3.35Å |
| 91 | F | 58.9 | Low | 63.1 | Low | 178 Ų | 178 | 115.6 Ų | 115.6 | 78% | 0.781 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -2 | 177 | -154.3 | -95.8 | 0 | 0 | 0 | 113.4 | R87 S88 A89 N93 | R87-F91 VanDerWaalsContact O-CB 3.24Å; R87-F91 WeakPolarHBondContact O-CB 3.46Å; R87-F91 PolarHBondContact O-N 3.32Å; S88-F91 CarbonylContact O-C 3.6Å; S88-F91 PolarHBondContact O-N 3.23Å; A89-F91 VanDerWaalsContact C-N 3.27Å; A89-F91 PolarHBondContact O-N 3.42Å; F91-N93 PolarHBondContact O-N 2.72Å |
| 92 | V | 56.4 | Low | 61.7 | Low | 101 Ų | 101 | 118.1 Ų | 118.1 | 61% | 0.612 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -65.8 | 89.2 | 169.2 | -177 | 0 | 0 | 0 | 0 | 109.1 | S88 A89 S90 | S88-V92 WeakPolarHBondContact O-CG2 3.24Å; S88-V92 PolarHBondContact O-N 3.23Å; A89-V92 PolarHBondContact O-N 2.87Å; S90-V92 VanDerWaalsContact C-N 3.35Å |
| 93 | N | 58.4 | Low | 60.6 | Low | 115 Ų | 115 | 120 Ų | 120 | 62% | 0.615 | 62% | 0.617 | S | S | * | * | trans | 47.8 | 82 | 151.2 | -62.6 | -56.6 | 0 | 0 | 0 | 115.4 | F91 K95 | F91-N93 PolarHBondContact O-N 2.72Å; N93-K95 HydrophobicContact CB-CG 3.87Å; N93-K95 PolarHBondContact O-N 2.75Å | ||
| 94 | K | 58.6 | Low | 59.7 | Low | 212 Ų | 212 | 122.5 Ų | 122.5 | 92% | 0.922 | 63% | 0.627 | S | S | * | * | trans | -59.7 | 81.8 | 131.6 | -70.5 | -171.5 | -178.5 | -179.7 | 0 | 106.5 | L96 | K94-L96 VanDerWaalsContact C-N 3.26Å; K94-L96 PolarHBondContact O-N 2.78Å | ||
| 95 | K | 57.2 | Low | 58.9 | Low | 174 Ų | 174 | 130 Ų | 130 | 76% | 0.757 | 64% | 0.644 | S | S | * | * | trans | -57.6 | 97.9 | 170 | -78 | -163.8 | 179.5 | 175.7 | 0 | 105.6 | N93 | N93-K95 HydrophobicContact CB-CG 3.87Å; N93-K95 PolarHBondContact O-N 2.75Å | ||
| 96 | L | 56.4 | Low | 58.4 | Low | 120 Ų | 120 | 131.1 Ų | 131.1 | 63% | 0.628 | 65% | 0.648 | S | S | * | * | trans | -52.3 | 124.5 | 154.8 | -86.4 | 158.6 | 0 | 0 | 0 | 105.1 | K94 L98 Q100 | K94-L96 VanDerWaalsContact C-N 3.26Å; K94-L96 PolarHBondContact O-N 2.78Å; L96-L98 PolarHBondContact O-N 2.8Å; L96-Q100 VanDerWaalsContact CD2-OE1 3.31Å | ||
| 97 | P | 60.9 | Low | 58.1 | Low | 73 Ų | 73 | 131.2 Ų | 131.2 | 47% | 0.474 | 65% | 0.649 | S | S | . | * | trans | -52.8 | 131.9 | -179.6 | 17.5 | -27.7 | 0 | 0 | 0 | 107.9 | K99 Q100 | P97-K99 PolarHBondContact O-N 3.18Å; P97-Q100 HydrophobicContact CG-CG 4.22Å; P97-Q100 PolarHBondContact O-N 2.8Å | ||
| 98 | L | 57.1 | Low | 57.8 | Low | 147 Ų | 147 | 133.3 Ų | 133.3 | 77% | 0.77 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -50.3 | -22.1 | -174.6 | -75.8 | 163.4 | 0 | 0 | 0 | 113 | L96 Q100 A101 | L96-L98 PolarHBondContact O-N 2.8Å; L98-Q100 VanDerWaalsContact C-N 3.33Å; L98-Q100 PolarHBondContact O-N 3.47Å; L98-A101 PolarHBondContact O-N 3.46Å |
| 99 | K | 58 | Low | 57.6 | Low | 189 Ų | 189 | 137.7 Ų | 137.7 | 82% | 0.822 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -62.2 | -30.6 | 173.2 | -67 | -172.3 | 176.2 | -177.9 | 0 | 114 | P97 | P97-K99 PolarHBondContact O-N 3.18Å |
| 100 | Q | 57.9 | Low | 57.5 | Low | 110 Ų | 110 | 143.5 Ų | 143.5 | 51% | 0.514 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -89.9 | -20.5 | 179.2 | -65.6 | -178 | 3.1 | 0 | 0 | 113.6 | L96 P97 L98 T103 | L96-Q100 VanDerWaalsContact CD2-OE1 3.31Å; P97-Q100 HydrophobicContact CG-CG 4.22Å; P97-Q100 PolarHBondContact O-N 2.8Å; L98-Q100 VanDerWaalsContact C-N 3.33Å; L98-Q100 PolarHBondContact O-N 3.47Å; Q100-T103 PolarHBondContact O-OG1 3.09Å; Q100-T103 VanDerWaalsContact O-OG1 3.09Å |
| 101 | A | 55.1 | Low | 57.4 | Low | 57 Ų | 57 | 145.1 Ų | 145.1 | 47% | 0.471 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -75.4 | -28.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L98 | L98-A101 PolarHBondContact O-N 3.46Å |
| 102 | K | 56.7 | Low | 57.4 | Low | 165 Ų | 165 | 145.9 Ų | 145.9 | 72% | 0.717 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -78.7 | -20.1 | -177.6 | -66.8 | -168.8 | 179.1 | -175.1 | 0 | 113.9 | ||
| 103 | T | 57.8 | Low | 57.6 | Low | 90 Ų | 90 | 146.5 Ų | 146.5 | 55% | 0.552 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -80.8 | -31.1 | -178.6 | 48.7 | 0 | 0 | 0 | 0 | 113.1 | Q100 R105 | Q100-T103 PolarHBondContact O-OG1 3.09Å; Q100-T103 VanDerWaalsContact O-OG1 3.09Å; T103-R105 PolarHBondContact O-N 3.27Å |
| 104 | K | 56.1 | Low | 57.6 | Low | 163 Ų | 163 | 152.7 Ų | 152.7 | 71% | 0.709 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -73.9 | -21.9 | 179.8 | -66.3 | -150.7 | 177.2 | -171.8 | 0 | 114.7 | ||
| 105 | R | 56.3 | Low | 57.7 | Low | 215 Ų | 215 | 152 Ų | 152 | 81% | 0.811 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -76.2 | -31.2 | 178.4 | -83.4 | -172.7 | 166.2 | -169.6 | -2.6 | 113.5 | T103 | T103-R105 PolarHBondContact O-N 3.27Å |
| 106 | K | 57 | Low | 57.4 | Low | 165 Ų | 165 | 146.9 Ų | 146.9 | 72% | 0.717 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -72 | -29 | 179.1 | -95.2 | -175.3 | 174.4 | -177.5 | 0 | 113.6 | ||
| 107 | N | 57.7 | Low | 57.3 | Low | 102 Ų | 102 | 148.2 Ų | 148.2 | 55% | 0.545 | 71% | 0.711 | S | S | . | * | H | α-helix | trans | -83 | -30.1 | -178.8 | -70 | -3 | 0 | 0 | 0 | 113.1 | Q109 K110 | N107-Q109 VanDerWaalsContact C-N 3.28Å; N107-Q109 PolarHBondContact O-N 3.15Å; N107-K110 PolarHBondContact O-N 3.44Å; N107-K110 VanDerWaalsContact O-N 3.15Å |
| 108 | R | 56.9 | Low | 57.2 | Low | 204 Ų | 204 | 149.7 Ų | 149.7 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -17.4 | 179.7 | -78.6 | -174.7 | 167.9 | -175.6 | -3 | 115.2 | ||
| 109 | Q | 58.4 | Low | 57.3 | Low | 158 Ų | 158 | 152.2 Ų | 152.2 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -20.3 | 173.1 | -86.3 | -174.6 | -23.1 | 0 | 0 | 113 | N107 | N107-Q109 VanDerWaalsContact C-N 3.28Å; N107-Q109 PolarHBondContact O-N 3.15Å |
| 110 | K | 57.2 | Low | 57.2 | Low | 176 Ų | 176 | 148.8 Ų | 148.8 | 77% | 0.765 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -28.6 | 177.8 | -72.1 | -174 | 174.5 | -174.4 | 0 | 112.7 | N107 | N107-K110 PolarHBondContact O-N 3.44Å; N107-K110 VanDerWaalsContact O-N 3.15Å |
| 111 | D | 56.6 | Low | 57.4 | Low | 134 Ų | 134 | 154.6 Ų | 154.6 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -92 | 11.4 | -179.2 | -61.8 | -30.5 | 0 | 0 | 0 | 114.1 | P113 | D111-P113 WeakPolarHBondContact O-CD 3.13Š|
| 112 | R | 58.4 | Low | 57.5 | Low | 193 Ų | 193 | 161.4 Ų | 161.4 | 73% | 0.728 | 76% | 0.763 | S | S | * | * | trans | -73.1 | 114.2 | 171.7 | -84.8 | -174.5 | 172.5 | -176.7 | -3 | 108.3 | R114 | R112-R114 PolarHBondContact O-N 2.86Š| ||
| 113 | P | 60.4 | Low | 57.7 | Low | 114 Ų | 114 | 162.4 Ų | 162.4 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | trans | -58.7 | 121 | 169 | 25.1 | -31.2 | 0 | 0 | 0 | 106.6 | D111 K115 | D111-P113 WeakPolarHBondContact O-CD 3.13Å; P113-K115 VanDerWaalsContact C-N 3.34Å; P113-K115 PolarHBondContact O-N 3.05Å | ||
| 114 | R | 59.8 | Low | 57.4 | Low | 245 Ų | 245 | 173 Ų | 173 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | trans | -54.8 | 106.1 | 166.8 | -71.2 | 179.7 | 176.7 | 172.8 | -1.5 | 104.9 | R112 G116 | R112-R114 PolarHBondContact O-N 2.86Å; R114-G116 VanDerWaalsContact C-N 3.32Å; R114-G116 PolarHBondContact O-N 2.8Å | ||
| 115 | K | 60 | Low | 57.4 | Low | 199 Ų | 199 | 173.6 Ų | 173.6 | 87% | 0.865 | 81% | 0.805 | S | S | * | * | trans | -54.2 | 104.4 | 172.9 | -84.1 | -170.4 | 173.8 | -174.2 | 0 | 106 | P113 V117 | P113-K115 VanDerWaalsContact C-N 3.34Å; P113-K115 PolarHBondContact O-N 3.05Å; K115-V117 PolarHBondContact O-N 3.35Å | ||
| 116 | G | 51.5 | Low | 57.5 | Low | 66 Ų | 66 | 171.4 Ų | 171.4 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | trans | -60 | 106.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | R114 S118 | R114-G116 VanDerWaalsContact C-N 3.32Å; R114-G116 PolarHBondContact O-N 2.8Å; G116-S118 PolarHBondContact O-N 3.33Å | ||
| 117 | V | 53.3 | Low | 57.5 | Low | 148 Ų | 148 | 171.7 Ų | 171.7 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | trans | -72.3 | 87.1 | 167.8 | -176.7 | 0 | 0 | 0 | 0 | 105.8 | K115 | K115-V117 PolarHBondContact O-N 3.35Š| ||
| 118 | S | 59.5 | Low | 57.5 | Low | 103 Ų | 103 | 175.8 Ų | 175.8 | 72% | 0.72 | 83% | 0.825 | S | S | * | * | trans | -131 | 88.7 | 175 | 65.2 | 0 | 0 | 0 | 0 | 111.3 | G116 | G116-S118 PolarHBondContact O-N 3.33Š| ||
| 119 | K | 59.2 | Low | 57.5 | Low | 201 Ų | 201 | 174.1 Ų | 174.1 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | trans | 48.1 | 104.3 | 145 | -59.8 | -175.9 | -179.5 | 179.4 | 0 | 117.4 | R121 | K119-R121 PolarHBondContact O-N 3.19Š| ||
| 120 | S | 55.6 | Low | 57.5 | Low | 116 Ų | 116 | 175.1 Ų | 175.1 | 81% | 0.811 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 116 | 155.5 | 54.7 | 0 | 0 | 0 | 0 | 110.2 | K122 | S120-K122 PolarHBondContact O-N 2.99Š|
| 121 | R | 61.6 | Low | 57.5 | Low | 233 Ų | 233 | 175.1 Ų | 175.1 | 88% | 0.879 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 116.8 | 165.5 | -116.1 | 177.1 | 177.8 | 169.5 | -1.6 | 107.6 | K119 H123 | K119-R121 PolarHBondContact O-N 3.19Å; R121-H123 PolarHBondContact O-N 3Å |
| 122 | K | 56.7 | Low | 57.6 | Low | 200 Ų | 200 | 178.2 Ų | 178.2 | 87% | 0.87 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 119.5 | 167.1 | -71.2 | 178.3 | 175.6 | 179.4 | 0 | 108 | S120 | S120-K122 PolarHBondContact O-N 2.99Š|
| 123 | H | 61.4 | Low | 57.5 | Low | 186 Ų | 186 | 177 Ų | 177 | 86% | 0.861 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 121.7 | 153.6 | -94.3 | -76.1 | 0 | 0 | 0 | 106.8 | R121 | R121-H123 PolarHBondContact O-N 3Š|
| 124 | R | 51.2 | Low | 57.3 | Low | 313 Ų | 313 | 182.7 Ų | 182.7 | 100% | 1.181 | 87% | 0.869 | S | S | * | * | trans | -125.5 | 0 | 168.2 | -152.8 | -175 | -163.1 | -172.1 | 3.5 | 106.1 |
Retrieved 124 of 124 residues in 213.2 ms
(Link to these results)