| 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 | 58.4 | Low | 60.2 | Low | 238 Ų | 238 | 147.4 Ų | 147.4 | 100% | 1.172 | 83% | 0.829 | S | S | * | * | 0 | 106.5 | 0 | -72.8 | -179.5 | -177.1 | 0 | 0 | 106.1 | I3 | M1-I3 PolarHBondContact O-N 2.97Š| |||
| 2 | T | 52.4 | Low | 60.7 | Low | 133 Ų | 133 | 151.4 Ų | 151.4 | 82% | 0.816 | 83% | 0.831 | S | S | * | * | trans | -69.2 | 116.8 | 177.7 | 28.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 3 | I | 60.9 | Low | 61.3 | Low | 150 Ų | 150 | 152.5 Ų | 152.5 | 77% | 0.769 | 84% | 0.835 | S | S | * | * | trans | -86 | 108.3 | 173.3 | -65 | 167.3 | 0 | 0 | 0 | 104.7 | M1 | M1-I3 PolarHBondContact O-N 2.97Š| ||
| 4 | E | 66.8 | Low | 62 | Low | 173 Ų | 173 | 150.4 Ų | 150.4 | 81% | 0.808 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 118.7 | 172.4 | -62.3 | -169.9 | 172.9 | 0 | 0 | 107.7 | ||
| 5 | D | 61 | Low | 63.2 | Low | 139 Ų | 139 | 146.7 Ų | 146.7 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 136.6 | 175.6 | -74.9 | -47.7 | 0 | 0 | 0 | 110.1 | D7 | D5-D7 PolarHBondContact O-N 3.3Š|
| 6 | P | 71.5 | Confident | 64.3 | Low | 115 Ų | 115 | 143.3 Ų | 143.3 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 123.8 | 174.9 | 30 | -30.6 | 0 | 0 | 0 | 109.7 | L8 | P6-L8 PolarHBondContact O-N 3.39Å; P6-L8 VanDerWaalsContact O-N 3.09Å |
| 7 | D | 57.8 | Low | 65.3 | Low | 156 Ų | 156 | 141.9 Ų | 141.9 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | -48.2 | 112.7 | 173.6 | -70.5 | -47 | 0 | 0 | 0 | 111.7 | D5 E9 | D5-D7 PolarHBondContact O-N 3.3Å; D7-E9 PolarHBondContact O-N 3.35Å | ||
| 8 | L | 57.7 | Low | 66.2 | Low | 172 Ų | 172 | 142.1 Ų | 142.1 | 90% | 0.901 | 77% | 0.771 | S | S | * | * | trans | -72.8 | 82.8 | 161.9 | -80.3 | 157.9 | 0 | 0 | 0 | 107.8 | P6 A10 | P6-L8 PolarHBondContact O-N 3.39Å; P6-L8 VanDerWaalsContact O-N 3.09Å; L8-A10 VanDerWaalsContact C-N 3.27Å; L8-A10 PolarHBondContact O-N 2.96Å | ||
| 9 | E | 62 | Low | 66.9 | Low | 184 Ų | 184 | 139.2 Ų | 139.2 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | trans | -62.8 | 93 | 164.6 | -91.4 | -83.2 | 147.8 | 0 | 0 | 108.7 | D7 | D7-E9 PolarHBondContact O-N 3.35Š| ||
| 10 | A | 54.1 | Low | 67.6 | Low | 93 Ų | 93 | 137.3 Ų | 137.3 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | trans | -67.3 | 136.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L8 | L8-A10 VanDerWaalsContact C-N 3.27Å; L8-A10 PolarHBondContact O-N 2.96Å | ||
| 11 | G | 59.1 | Low | 68.2 | Low | 68 Ų | 68 | 133.7 Ų | 133.7 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | trans | 98.8 | 33 | 148.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | N13 | G11-N13 PolarHBondContact O-N 3.24Å; G11-N13 VanDerWaalsContact O-N 3.07Å | ||
| 12 | K | 66.4 | Low | 69.2 | Low | 196 Ų | 196 | 126.5 Ų | 126.5 | 85% | 0.852 | 71% | 0.705 | S | S | * | * | trans | -68.6 | 104 | 155.1 | -75.5 | -177.8 | -178.4 | 175.4 | 0 | 108.1 | I14 | K12-I14 PolarHBondContact O-N 3.01Š| ||
| 13 | N | 68.9 | Low | 70.7 | Confident | 166 Ų | 166 | 127.1 Ų | 127.1 | 89% | 0.888 | 70% | 0.696 | S | S | * | * | trans | -55.9 | 103 | 164.6 | -80 | -70.4 | 0 | 0 | 0 | 107.1 | G11 D15 | G11-N13 PolarHBondContact O-N 3.24Å; G11-N13 VanDerWaalsContact O-N 3.07Å; N13-D15 PolarHBondContact O-N 2.87Å | ||
| 14 | I | 70.9 | Confident | 71.7 | Confident | 123 Ų | 123 | 124.5 Ų | 124.5 | 63% | 0.631 | 69% | 0.688 | S | S | * | * | trans | -71.4 | 114.6 | 172.2 | -66 | 156 | 0 | 0 | 0 | 105.3 | K12 V16 L19 | K12-I14 PolarHBondContact O-N 3.01Å; I14-V16 PolarHBondContact O-N 3.36Å; I14-L19 HydrophobicContact CG2-CD1 4.23Å | ||
| 15 | D | 80.5 | Confident | 72.4 | Confident | 95 Ų | 95 | 123 Ų | 123 | 51% | 0.508 | 68% | 0.684 | S | S | . | * | trans | -65.6 | 108.6 | 175.3 | -161.4 | -13.4 | 0 | 0 | 0 | 108.2 | N13 D17 E18 L19 | N13-D15 PolarHBondContact O-N 2.87Å; D15-D17 PolarHBondContact O-N 3.27Å; D15-D17 PolarHBondContact OD1-N 3.49Å; D15-E18 HydrophobicContact CB-CB 4.11Å; D15-E18 PolarHBondContact O-N 2.8Å; D15-E18 VanDerWaalsContact O-N 3.1Å; D15-L19 PolarHBondContact O-N 3.34Å; D15-L19 VanDerWaalsContact O-N 3.1Å | ||
| 16 | V | 81 | Confident | 73.3 | Confident | 92 Ų | 92 | 123.7 Ų | 123.7 | 56% | 0.558 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -63.2 | -28.1 | -174 | -171.5 | 0 | 0 | 0 | 0 | 110 | I14 L19 L20 | I14-V16 PolarHBondContact O-N 3.36Å; V16-L19 PolarHBondContact O-N 3.16Å; V16-L20 HydrophobicContact CG1-CD1 3.97Å; V16-L20 WeakPolarHBondContact O-CB 3.12Å; V16-L20 WeakPolarHBondContact O-CD1 3.4Å; V16-L20 WeakPolarHBondContact O-CG 3.25Å; V16-L20 PolarHBondContact O-N 3.41Å |
| 17 | D | 81.1 | Confident | 73.8 | Confident | 120 Ų | 120 | 124.9 Ų | 124.9 | 64% | 0.642 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -71 | -35.6 | 177.1 | -69.1 | -24.4 | 0 | 0 | 0 | 111.7 | D15 A21 | D15-D17 PolarHBondContact O-N 3.27Å; D15-D17 PolarHBondContact OD1-N 3.49Å; D17-A21 VanDerWaalsContact O-CB 3.28Å; D17-A21 WeakPolarHBondContact O-CB 3.29Å; D17-A21 PolarHBondContact O-N 2.78Å |
| 18 | E | 80.4 | Confident | 75 | Confident | 144 Ų | 144 | 122.4 Ų | 122.4 | 67% | 0.673 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -70 | -37.9 | 173.3 | -169.2 | 175.6 | -172 | 0 | 0 | 111.1 | D15 A21 S22 | D15-E18 HydrophobicContact CB-CB 4.11Å; D15-E18 PolarHBondContact O-N 2.8Å; D15-E18 VanDerWaalsContact O-N 3.1Å; E18-A21 PolarHBondContact O-N 3.24Å; E18-S22 PolarHBondContact O-N 2.87Å; E18-S22 VanDerWaalsContact O-N 3.17Å |
| 19 | L | 79.8 | Confident | 76.1 | Confident | 87 Ų | 87 | 121.9 Ų | 121.9 | 46% | 0.455 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -64.9 | -45.6 | 174.2 | -159.2 | 92.5 | 0 | 0 | 0 | 111.1 | I14 D15 V16 S22 F23 | I14-L19 HydrophobicContact CG2-CD1 4.23Å; D15-L19 PolarHBondContact O-N 3.34Å; D15-L19 VanDerWaalsContact O-N 3.1Å; V16-L19 PolarHBondContact O-N 3.16Å; L19-S22 PolarHBondContact O-N 2.77Å; L19-S22 PolarHBondContact O-OG 3.48Å; L19-F23 HydrophobicContact CD2-CE2 4.05Å; L19-F23 HydrophobicContact CG-CE2 3.98Å; L19-F23 WeakPolarHBondContact O-CD2 3.46Å; L19-F23 PolarHBondContact O-N 3.48Å |
| 20 | L | 81.1 | Confident | 77.3 | Confident | 102 Ų | 102 | 120.5 Ų | 120.5 | 53% | 0.534 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -63.6 | -39.7 | 176.6 | -83.8 | 156.5 | 0 | 0 | 0 | 111.9 | V16 S22 F23 T24 | V16-L20 HydrophobicContact CG1-CD1 3.97Å; V16-L20 WeakPolarHBondContact O-CB 3.12Å; V16-L20 WeakPolarHBondContact O-CD1 3.4Å; V16-L20 WeakPolarHBondContact O-CG 3.25Å; V16-L20 PolarHBondContact O-N 3.41Å; L20-S22 PolarHBondContact O-N 3.2Å; L20-F23 PolarHBondContact O-N 3.19Å; L20-T24 PolarHBondContact O-N 2.78Å; L20-T24 PolarHBondContact O-OG1 3.02Å |
| 21 | A | 81.1 | Confident | 78.8 | Confident | 61 Ų | 61 | 118.8 Ų | 118.8 | 50% | 0.504 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -60.4 | -34.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | D17 E18 F23 T24 | D17-A21 VanDerWaalsContact O-CB 3.28Å; D17-A21 WeakPolarHBondContact O-CB 3.29Å; D17-A21 PolarHBondContact O-N 2.78Å; E18-A21 PolarHBondContact O-N 3.24Å; A21-F23 VanDerWaalsContact C-N 3.28Å; A21-F23 PolarHBondContact O-N 3.29Å; A21-T24 VanDerWaalsContact C-OG1 3.31Å; A21-T24 VanDerWaalsContact CA-OG1 3.32Å; A21-T24 WeakPolarHBondContact CA-OG1 3.25Å; A21-T24 PolarHBondContact O-N 2.6Å; A21-T24 PolarHBondContact O-OG1 3.17Å |
| 22 | S | 79.4 | Confident | 80.2 | Confident | 87 Ų | 87 | 118.7 Ų | 118.7 | 61% | 0.608 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -69.9 | -21.7 | 175.5 | 79.9 | 0 | 0 | 0 | 0 | 114.2 | E18 L19 L20 | E18-S22 PolarHBondContact O-N 2.87Å; E18-S22 VanDerWaalsContact O-N 3.17Å; L19-S22 PolarHBondContact O-N 2.77Å; L19-S22 PolarHBondContact O-OG 3.48Å; L20-S22 PolarHBondContact O-N 3.2Å |
| 23 | F | 83.4 | Confident | 81.5 | Confident | 146 Ų | 146 | 115.3 Ų | 115.3 | 64% | 0.64 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -3.5 | 175.5 | -70.8 | -69.4 | 0 | 0 | 0 | 113.5 | L19 L20 A21 I25 | L19-F23 HydrophobicContact CD2-CE2 4.05Å; L19-F23 HydrophobicContact CG-CE2 3.98Å; L19-F23 WeakPolarHBondContact O-CD2 3.46Å; L19-F23 PolarHBondContact O-N 3.48Å; L20-F23 PolarHBondContact O-N 3.19Å; A21-F23 VanDerWaalsContact C-N 3.28Å; A21-F23 PolarHBondContact O-N 3.29Å; F23-I25 PolarHBondContact O-N 3.33Å |
| 24 | T | 81.1 | Confident | 82.6 | Confident | 96 Ų | 96 | 111.5 Ų | 111.5 | 59% | 0.589 | 61% | 0.608 | S | S | * | * | trans | -68.7 | 104.4 | 175.1 | -17.5 | 0 | 0 | 0 | 0 | 108.6 | L20 A21 D26 | L20-T24 PolarHBondContact O-N 2.78Å; L20-T24 PolarHBondContact O-OG1 3.02Å; A21-T24 VanDerWaalsContact C-OG1 3.31Å; A21-T24 VanDerWaalsContact CA-OG1 3.32Å; A21-T24 WeakPolarHBondContact CA-OG1 3.25Å; A21-T24 PolarHBondContact O-N 2.6Å; A21-T24 PolarHBondContact O-OG1 3.17Å; T24-D26 PolarHBondContact O-N 3.37Å | ||
| 25 | I | 82.9 | Confident | 83.6 | Confident | 141 Ų | 141 | 109.5 Ų | 109.5 | 72% | 0.723 | 60% | 0.596 | S | S | * | * | trans | -76 | 110.2 | 173.3 | -59.9 | 170.2 | 0 | 0 | 0 | 106.7 | F23 L27 | F23-I25 PolarHBondContact O-N 3.33Å; I25-L27 HydrophobicContact CG2-CG 4.45Å; I25-L27 PolarHBondContact O-N 3.34Å | ||
| 26 | D | 78.4 | Confident | 84.2 | Confident | 153 Ų | 153 | 109.1 Ų | 109.1 | 82% | 0.818 | 59% | 0.59 | S | S | * | * | trans | -66 | 94.5 | 172.2 | -72.5 | -29.3 | 0 | 0 | 0 | 109.5 | T24 | T24-D26 PolarHBondContact O-N 3.37Š| ||
| 27 | L | 81.6 | Confident | 84.8 | Confident | 140 Ų | 140 | 108.1 Ų | 108.1 | 73% | 0.733 | 59% | 0.587 | S | S | * | * | trans | -77 | 129 | 171.1 | -75.4 | 126.3 | 0 | 0 | 0 | 108.6 | I25 D29 | I25-L27 HydrophobicContact CG2-CG 4.45Å; I25-L27 PolarHBondContact O-N 3.34Å; L27-D29 PolarHBondContact O-N 2.87Å | ||
| 28 | P | 84.1 | Confident | 85.5 | Confident | 104 Ų | 104 | 107.6 Ų | 107.6 | 68% | 0.675 | 58% | 0.584 | S | S | * | * | trans | -63.7 | 125.6 | 176.4 | 24.6 | -31.7 | 0 | 0 | 0 | 110.3 | E30 | P28-E30 PolarHBondContact O-N 2.77Š| ||
| 29 | D | 81.5 | Confident | 86.1 | Confident | 162 Ų | 162 | 107.5 Ų | 107.5 | 87% | 0.866 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -66.3 | -25.6 | 175.7 | -79.5 | -28 | 0 | 0 | 0 | 112.3 | L27 | L27-D29 PolarHBondContact O-N 2.87Š|
| 30 | E | 86.6 | Confident | 86.8 | Confident | 154 Ų | 154 | 110.8 Ų | 110.8 | 72% | 0.72 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -96 | 124.9 | 179.9 | -66.8 | -164.4 | -174.8 | 0 | 0 | 112.2 | P28 T32 | P28-E30 PolarHBondContact O-N 2.77Å; E30-T32 PolarHBondContact O-N 3.25Å |
| 31 | H | 85.2 | Confident | 87.6 | Confident | 58 Ų | 58 | 111.9 Ų | 111.9 | 27% | 0.269 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -63.3 | 132.9 | 170.7 | -68.4 | -57 | 0 | 0 | 0 | 111.4 | E35 K36 R39 | H31-E35 HydrophobicContact CB-CB 4.03Å; H31-E35 IonicContact CE1-OE2 3.95Å; H31-E35 IonicContact CG-OE2 3.64Å; H31-E35 IonicContact ND1-OE2 2.85Å; H31-E35 PolarHBondContact ND1-OE2 3.3Å; H31-K36 HydrophobicContact CB-CG 3.74Å; H31-K36 WeakPolarHBondContact O-CE 3.48Å; H31-K36 PolarHBondContact O-NZ 2.9Å; H31-R39 PolarHBondContact CD2-NH1 3.49Å; H31-R39 VanDerWaalsContact CD2-NH1 3.3Å; H31-R39 PolarHBondContact CE1-NH2 3.26Å; H31-R39 PolarHBondContact NE2-NH1 2.95Å; H31-R39 PolarHBondContact NE2-NH2 3.39Å |
| 32 | T | 89.8 | Confident | 88.3 | Confident | 66 Ų | 66 | 113.5 Ų | 113.5 | 41% | 0.405 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -57.6 | 148.4 | 168.6 | 61.8 | 0 | 0 | 0 | 0 | 109.8 | E30 P34 E35 K36 | E30-T32 PolarHBondContact O-N 3.25Å; T32-P34 VanDerWaalsContact C-CD 3.42Å; T32-P34 VanDerWaalsContact C-N 3.31Å; T32-P34 WeakPolarHBondContact OG1-CG 3.34Å; T32-E35 WeakPolarHBondContact O-CA 3.42Å; T32-E35 WeakPolarHBondContact O-CB 3.23Å; T32-E35 PolarHBondContact O-N 2.99Å; T32-E35 VanDerWaalsContact OG1-CG 3.24Å; T32-E35 WeakPolarHBondContact OG1-CG 3.14Å; T32-E35 PolarHBondContact OG1-OE1 3.48Å; T32-K36 PolarHBondContact O-N 3.44Å |
| 33 | D | 92 | Very high | 89.1 | Confident | 125 Ų | 125 | 114.7 Ų | 114.7 | 67% | 0.668 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -50.3 | -40.9 | 176.6 | -72.2 | -21.9 | 0 | 0 | 0 | 114.7 | E35 K36 S37 | D33-E35 VanDerWaalsContact C-N 3.35Å; D33-E35 PolarHBondContact O-N 3.09Å; D33-K36 PolarHBondContact O-N 2.97Å; D33-K36 IonicContact OD1-NZ 3.74Å; D33-S37 PolarHBondContact O-N 3.31Å |
| 34 | P | 93 | Very high | 89.7 | Confident | 85 Ų | 85 | 110.5 Ų | 110.5 | 55% | 0.552 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -61.6 | -39.2 | 172.5 | 22.7 | -34 | 0 | 0 | 0 | 112.9 | T32 S37 L38 | T32-P34 VanDerWaalsContact C-CD 3.42Å; T32-P34 VanDerWaalsContact C-N 3.31Å; T32-P34 WeakPolarHBondContact OG1-CG 3.34Å; P34-S37 WeakPolarHBondContact O-CB 3.08Å; P34-S37 PolarHBondContact O-N 3.04Å; P34-L38 WeakPolarHBondContact O-CB 3.39Å; P34-L38 WeakPolarHBondContact O-CD1 3.42Å; P34-L38 WeakPolarHBondContact O-CG 3.39Å; P34-L38 PolarHBondContact O-N 3.44Å |
| 35 | E | 92.4 | Very high | 90.5 | Very high | 81 Ų | 81 | 111 Ų | 111 | 38% | 0.379 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.5 | -40.2 | 175.3 | -74.6 | 166.3 | -140.4 | 0 | 0 | 112.5 | H31 T32 D33 S37 L38 R39 | H31-E35 HydrophobicContact CB-CB 4.03Å; H31-E35 IonicContact CE1-OE2 3.95Å; H31-E35 IonicContact CG-OE2 3.64Å; H31-E35 IonicContact ND1-OE2 2.85Å; H31-E35 PolarHBondContact ND1-OE2 3.3Å; T32-E35 WeakPolarHBondContact O-CA 3.42Å; T32-E35 WeakPolarHBondContact O-CB 3.23Å; T32-E35 PolarHBondContact O-N 2.99Å; T32-E35 VanDerWaalsContact OG1-CG 3.24Å; T32-E35 WeakPolarHBondContact OG1-CG 3.14Å; T32-E35 PolarHBondContact OG1-OE1 3.48Å; D33-E35 VanDerWaalsContact C-N 3.35Å; D33-E35 PolarHBondContact O-N 3.09Å; E35-S37 VanDerWaalsContact C-N 3.29Å; E35-S37 PolarHBondContact O-N 3.01Å; E35-L38 PolarHBondContact O-N 3.43Å; E35-R39 WeakPolarHBondContact O-CG 3.32Å; E35-R39 PolarHBondContact O-N 3.06Å |
| 36 | K | 92.2 | Very high | 91.1 | Very high | 87 Ų | 87 | 109.7 Ų | 109.7 | 38% | 0.378 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.5 | -41.5 | 174.3 | -70.6 | 173.4 | 178.1 | 152.3 | 0 | 110.8 | H31 T32 D33 R39 K40 | H31-K36 HydrophobicContact CB-CG 3.74Å; H31-K36 WeakPolarHBondContact O-CE 3.48Å; H31-K36 PolarHBondContact O-NZ 2.9Å; T32-K36 PolarHBondContact O-N 3.44Å; D33-K36 PolarHBondContact O-N 2.97Å; D33-K36 IonicContact OD1-NZ 3.74Å; K36-R39 PolarHBondContact O-N 3.04Å; K36-K40 WeakPolarHBondContact O-CG 3.2Å; K36-K40 PolarHBondContact O-N 3.1Å |
| 37 | S | 94.2 | Very high | 92 | Very high | 72 Ų | 72 | 108.8 Ų | 108.8 | 50% | 0.503 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.9 | -48.5 | 175.4 | -166.9 | 0 | 0 | 0 | 0 | 111.8 | D33 P34 E35 R39 K40 E41 | D33-S37 PolarHBondContact O-N 3.31Å; P34-S37 WeakPolarHBondContact O-CB 3.08Å; P34-S37 PolarHBondContact O-N 3.04Å; E35-S37 VanDerWaalsContact C-N 3.29Å; E35-S37 PolarHBondContact O-N 3.01Å; S37-R39 VanDerWaalsContact C-N 3.29Å; S37-R39 PolarHBondContact O-N 3.35Å; S37-K40 WeakPolarHBondContact O-CB 3.45Å; S37-K40 PolarHBondContact O-N 3.07Å; S37-E41 PolarHBondContact O-N 3.22Å |
| 38 | L | 95.9 | Very high | 92.7 | Very high | 108 Ų | 108 | 106.8 Ų | 106.8 | 57% | 0.565 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -57 | -40.7 | 176.4 | -82.2 | 156.6 | 0 | 0 | 0 | 112.2 | P34 E35 K40 E41 L42 | P34-L38 WeakPolarHBondContact O-CB 3.39Å; P34-L38 WeakPolarHBondContact O-CD1 3.42Å; P34-L38 WeakPolarHBondContact O-CG 3.39Å; P34-L38 PolarHBondContact O-N 3.44Å; E35-L38 PolarHBondContact O-N 3.43Å; L38-K40 PolarHBondContact O-N 3.41Å; L38-E41 PolarHBondContact O-N 3.27Å; L38-L42 WeakPolarHBondContact O-CB 3.4Å; L38-L42 PolarHBondContact O-N 3.31Å |
| 39 | R | 92.4 | Very high | 93.2 | Very high | 142 Ų | 142 | 110.8 Ų | 110.8 | 54% | 0.536 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.8 | -40 | 175.8 | -77.4 | -175.8 | 170.2 | -163 | 1.2 | 112.5 | H31 E35 K36 S37 L42 L43 | H31-R39 PolarHBondContact CD2-NH1 3.49Å; H31-R39 VanDerWaalsContact CD2-NH1 3.3Å; H31-R39 PolarHBondContact CE1-NH2 3.26Å; H31-R39 PolarHBondContact NE2-NH1 2.95Å; H31-R39 PolarHBondContact NE2-NH2 3.39Å; E35-R39 WeakPolarHBondContact O-CG 3.32Å; E35-R39 PolarHBondContact O-N 3.06Å; K36-R39 PolarHBondContact O-N 3.04Å; S37-R39 VanDerWaalsContact C-N 3.29Å; S37-R39 PolarHBondContact O-N 3.35Å; R39-L42 PolarHBondContact O-N 3.21Å; R39-L43 WeakPolarHBondContact O-CG 3.4Å; R39-L43 PolarHBondContact O-N 3.48Å |
| 40 | K | 95.2 | Very high | 93.8 | Very high | 156 Ų | 156 | 111.6 Ų | 111.6 | 68% | 0.678 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64 | -44.3 | 175.4 | -70.5 | 175.4 | -179.2 | 178.8 | 0 | 111.3 | K36 S37 L38 L43 S44 | K36-K40 WeakPolarHBondContact O-CG 3.2Å; K36-K40 PolarHBondContact O-N 3.1Å; S37-K40 WeakPolarHBondContact O-CB 3.45Å; S37-K40 PolarHBondContact O-N 3.07Å; L38-K40 PolarHBondContact O-N 3.41Å; K40-L43 PolarHBondContact O-N 3.41Å; K40-S44 PolarHBondContact O-N 3.42Å |
| 41 | E | 96.3 | Very high | 94.1 | Very high | 125 Ų | 125 | 107.5 Ų | 107.5 | 58% | 0.584 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.6 | -42.7 | 177 | -169.7 | 178.4 | 174.7 | 0 | 0 | 111.7 | S37 L38 L43 S44 L45 | S37-E41 PolarHBondContact O-N 3.22Å; L38-E41 PolarHBondContact O-N 3.27Å; E41-L43 VanDerWaalsContact C-N 3.31Å; E41-L43 PolarHBondContact O-N 2.89Å; E41-S44 WeakPolarHBondContact O-CB 3.5Å; E41-S44 PolarHBondContact O-N 2.93Å; E41-L45 WeakPolarHBondContact O-CB 3.31Å; E41-L45 PolarHBondContact O-N 3.16Å |
| 42 | L | 96.9 | Very high | 94.6 | Very high | 95 Ų | 95 | 110.2 Ų | 110.2 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.6 | -38.2 | 176.4 | -170.2 | 113.9 | 0 | 0 | 0 | 112.2 | L38 R39 L45 K46 | L38-L42 WeakPolarHBondContact O-CB 3.4Å; L38-L42 PolarHBondContact O-N 3.31Å; R39-L42 PolarHBondContact O-N 3.21Å; L42-L45 PolarHBondContact O-N 2.87Å; L42-K46 HydrophobicContact CD2-CD 4.25Å; L42-K46 WeakPolarHBondContact O-CB 3.45Å; L42-K46 WeakPolarHBondContact O-CG 3.3Å; L42-K46 PolarHBondContact O-N 3.21Å |
| 43 | L | 96 | Very high | 94.8 | Very high | 113 Ų | 113 | 110 Ų | 110 | 59% | 0.592 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.2 | -44.7 | 173.9 | -73.5 | 171.7 | 0 | 0 | 0 | 111.6 | R39 K40 E41 L45 K46 Q47 | R39-L43 WeakPolarHBondContact O-CG 3.4Å; R39-L43 PolarHBondContact O-N 3.48Å; K40-L43 PolarHBondContact O-N 3.41Å; E41-L43 VanDerWaalsContact C-N 3.31Å; E41-L43 PolarHBondContact O-N 2.89Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-L45 PolarHBondContact O-N 3.48Å; L43-K46 PolarHBondContact O-N 2.98Å; L43-Q47 PolarHBondContact O-N 3.34Å |
| 44 | S | 96.5 | Very high | 94.7 | Very high | 57 Ų | 57 | 109.1 Ų | 109.1 | 40% | 0.399 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 174.3 | -179.6 | 0 | 0 | 0 | 0 | 111.7 | K40 E41 K46 Q47 M48 | K40-S44 PolarHBondContact O-N 3.42Å; E41-S44 WeakPolarHBondContact O-CB 3.5Å; E41-S44 PolarHBondContact O-N 2.93Å; S44-K46 PolarHBondContact O-N 3.02Å; S44-Q47 WeakPolarHBondContact O-CB 3.48Å; S44-Q47 PolarHBondContact O-N 3.46Å; S44-Q47 VanDerWaalsContact O-N 3.13Å; S44-M48 PolarHBondContact O-N 2.94Å |
| 45 | L | 96.7 | Very high | 94.7 | Very high | 106 Ų | 106 | 109.8 Ų | 109.8 | 56% | 0.555 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.4 | -37.3 | 178.8 | -161.7 | 123.5 | 0 | 0 | 0 | 112.3 | E41 L42 L43 Q47 M48 R49 | E41-L45 WeakPolarHBondContact O-CB 3.31Å; E41-L45 PolarHBondContact O-N 3.16Å; L42-L45 PolarHBondContact O-N 2.87Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-L45 PolarHBondContact O-N 3.48Å; L45-Q47 VanDerWaalsContact C-N 3.34Å; L45-M48 PolarHBondContact O-N 2.75Å; L45-R49 WeakPolarHBondContact O-CB 3.27Å; L45-R49 PolarHBondContact O-N 3.2Å |
| 46 | K | 96.8 | Very high | 94.6 | Very high | 115 Ų | 115 | 110.9 Ų | 110.9 | 50% | 0.5 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.3 | -39.2 | 171.2 | -79 | 177.5 | 175.9 | 178.6 | 0 | 111.9 | L42 L43 S44 R50 | L42-K46 HydrophobicContact CD2-CD 4.25Å; L42-K46 WeakPolarHBondContact O-CB 3.45Å; L42-K46 WeakPolarHBondContact O-CG 3.3Å; L42-K46 PolarHBondContact O-N 3.21Å; L43-K46 PolarHBondContact O-N 2.98Å; S44-K46 PolarHBondContact O-N 3.02Å; K46-R50 WeakPolarHBondContact O-CG 3.42Å; K46-R50 PolarHBondContact O-N 3.4Å |
| 47 | Q | 96.5 | Very high | 94.4 | Very high | 133 Ų | 133 | 112.7 Ų | 112.7 | 62% | 0.621 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.1 | -48.2 | 175.3 | -175.3 | 177.2 | -2.3 | 0 | 0 | 111.3 | L43 S44 L45 R49 R50 T51 | L43-Q47 PolarHBondContact O-N 3.34Å; S44-Q47 WeakPolarHBondContact O-CB 3.48Å; S44-Q47 PolarHBondContact O-N 3.46Å; S44-Q47 VanDerWaalsContact O-N 3.13Å; L45-Q47 VanDerWaalsContact C-N 3.34Å; Q47-R49 VanDerWaalsContact C-N 3.33Å; Q47-R49 PolarHBondContact O-N 3.24Å; Q47-R50 WeakPolarHBondContact O-CB 3.33Å; Q47-R50 PolarHBondContact O-N 3.2Å; Q47-R50 VanDerWaalsContact O-N 3.16Å; Q47-T51 PolarHBondContact O-N 2.87Å; Q47-T51 VanDerWaalsContact O-N 3.1Å |
| 48 | M | 96.1 | Very high | 94.1 | Very high | 99 Ų | 99 | 113.9 Ų | 113.9 | 49% | 0.488 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59.7 | -42 | 176 | -73.3 | -172.6 | -74 | 0 | 0 | 112.1 | S44 L45 R50 T51 L52 | S44-M48 PolarHBondContact O-N 2.94Å; L45-M48 PolarHBondContact O-N 2.75Å; M48-R50 VanDerWaalsContact C-N 3.3Å; M48-R50 PolarHBondContact O-N 2.99Å; M48-T51 WeakPolarHBondContact CA-OG1 3.38Å; M48-T51 PolarHBondContact O-N 3.26Å; M48-T51 VanDerWaalsContact O-N 3.15Å; M48-T51 PolarHBondContact O-OG1 3.47Å; M48-L52 PolarHBondContact O-N 3.41Å |
| 49 | R | 95.6 | Very high | 93.5 | Very high | 187 Ų | 187 | 112.3 Ų | 112.3 | 71% | 0.706 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -57.6 | -41.9 | 175.8 | -176.8 | 177.7 | 173.5 | -175.8 | -2.1 | 112.1 | L45 Q47 L52 T53 | L45-R49 WeakPolarHBondContact O-CB 3.27Å; L45-R49 PolarHBondContact O-N 3.2Å; Q47-R49 VanDerWaalsContact C-N 3.33Å; Q47-R49 PolarHBondContact O-N 3.24Å; R49-L52 PolarHBondContact O-N 2.94Å; R49-T53 WeakPolarHBondContact O-CG2 3.36Å; R49-T53 PolarHBondContact O-N 3.34Å; R49-T53 VanDerWaalsContact O-N 3.08Å; R49-T53 PolarHBondContact O-OG1 2.89Å |
| 50 | R | 93.9 | Very high | 93 | Very high | 179 Ų | 179 | 110.6 Ų | 110.6 | 68% | 0.675 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.5 | -45.7 | 175.3 | -69.9 | 174.9 | -177.9 | 171.9 | -0.1 | 111.6 | K46 Q47 M48 L52 T53 D54 | K46-R50 WeakPolarHBondContact O-CG 3.42Å; K46-R50 PolarHBondContact O-N 3.4Å; Q47-R50 WeakPolarHBondContact O-CB 3.33Å; Q47-R50 PolarHBondContact O-N 3.2Å; Q47-R50 VanDerWaalsContact O-N 3.16Å; M48-R50 VanDerWaalsContact C-N 3.3Å; M48-R50 PolarHBondContact O-N 2.99Å; R50-L52 VanDerWaalsContact C-N 3.34Å; R50-L52 PolarHBondContact O-N 3.48Å; R50-T53 WeakPolarHBondContact CA-OG1 3.48Å; R50-T53 PolarHBondContact O-N 2.94Å; R50-T53 PolarHBondContact O-OG1 2.77Å; R50-D54 PolarHBondContact O-N 2.86Å |
| 51 | T | 93.5 | Very high | 92.1 | Very high | 68 Ų | 68 | 108.3 Ų | 108.3 | 42% | 0.417 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.9 | -38.8 | 178.5 | 61.1 | 0 | 0 | 0 | 0 | 112.9 | Q47 M48 D54 I55 | Q47-T51 PolarHBondContact O-N 2.87Å; Q47-T51 VanDerWaalsContact O-N 3.1Å; M48-T51 WeakPolarHBondContact CA-OG1 3.38Å; M48-T51 PolarHBondContact O-N 3.26Å; M48-T51 VanDerWaalsContact O-N 3.15Å; M48-T51 PolarHBondContact O-OG1 3.47Å; T51-D54 PolarHBondContact O-N 2.75Å; T51-I55 WeakPolarHBondContact O-CG1 3.46Å; T51-I55 PolarHBondContact O-N 3.47Å |
| 52 | L | 95.1 | Very high | 90.5 | Very high | 115 Ų | 115 | 105.1 Ų | 105.1 | 60% | 0.602 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68 | -37.5 | 177.2 | -72.1 | 175.2 | 0 | 0 | 0 | 112.1 | M48 R49 R50 D54 I55 D56 | M48-L52 PolarHBondContact O-N 3.41Å; R49-L52 PolarHBondContact O-N 2.94Å; R50-L52 VanDerWaalsContact C-N 3.34Å; R50-L52 PolarHBondContact O-N 3.48Å; L52-D54 VanDerWaalsContact C-N 3.34Å; L52-I55 PolarHBondContact O-N 2.72Å; L52-D56 WeakPolarHBondContact O-CB 3.25Å; L52-D56 PolarHBondContact O-N 3.09Å |
| 53 | T | 93 | Very high | 88.7 | Confident | 62 Ų | 62 | 106.3 Ų | 106.3 | 38% | 0.38 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.3 | -38.3 | 174.3 | 47.5 | 0 | 0 | 0 | 0 | 112 | R49 R50 D56 H57 | R49-T53 WeakPolarHBondContact O-CG2 3.36Å; R49-T53 PolarHBondContact O-N 3.34Å; R49-T53 VanDerWaalsContact O-N 3.08Å; R49-T53 PolarHBondContact O-OG1 2.89Å; R50-T53 WeakPolarHBondContact CA-OG1 3.48Å; R50-T53 PolarHBondContact O-N 2.94Å; R50-T53 PolarHBondContact O-OG1 2.77Å; T53-D56 PolarHBondContact O-N 2.84Å; T53-H57 PolarHBondContact O-CD2 3.12Å; T53-H57 PolarHBondContact O-N 3.27Å |
| 54 | D | 91.3 | Very high | 87 | Confident | 106 Ų | 106 | 109.1 Ų | 109.1 | 57% | 0.567 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.1 | -41.4 | 176.6 | -65.6 | -19.9 | 0 | 0 | 0 | 111.5 | R50 T51 L52 H57 E58 | R50-D54 PolarHBondContact O-N 2.86Å; T51-D54 PolarHBondContact O-N 2.75Å; L52-D54 VanDerWaalsContact C-N 3.34Å; D54-H57 PolarHBondContact O-N 3.28Å; D54-E58 PolarHBondContact O-N 3.47Å |
| 55 | I | 92 | Very high | 85 | Confident | 100 Ų | 100 | 113.3 Ų | 113.3 | 51% | 0.513 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.6 | -45.5 | 174.6 | -66.7 | 166.3 | 0 | 0 | 0 | 111 | T51 L52 H57 E58 V59 | T51-I55 WeakPolarHBondContact O-CG1 3.46Å; T51-I55 PolarHBondContact O-N 3.47Å; L52-I55 PolarHBondContact O-N 2.72Å; I55-H57 VanDerWaalsContact C-N 3.3Å; I55-H57 PolarHBondContact O-N 2.81Å; I55-E58 PolarHBondContact O-N 2.82Å; I55-E58 VanDerWaalsContact O-N 3.15Å; I55-V59 HydrophobicContact CG2-CG2 4.21Å; I55-V59 WeakPolarHBondContact O-CG2 3.3Å; I55-V59 PolarHBondContact O-N 3.03Å |
| 56 | D | 91.6 | Very high | 82.9 | Confident | 103 Ų | 103 | 113.4 Ų | 113.4 | 55% | 0.551 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.7 | -40.7 | 178.5 | -171.3 | 59.5 | 0 | 0 | 0 | 111.6 | L52 T53 K60 | L52-D56 WeakPolarHBondContact O-CB 3.25Å; L52-D56 PolarHBondContact O-N 3.09Å; T53-D56 PolarHBondContact O-N 2.84Å; D56-K60 VanDerWaalsContact O-CB 3.31Å; D56-K60 WeakPolarHBondContact O-CB 3.32Å; D56-K60 PolarHBondContact O-N 3.15Å |
| 57 | H | 87.4 | Confident | 80.8 | Confident | 126 Ų | 126 | 114.5 Ų | 114.5 | 58% | 0.583 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.9 | -40.8 | 173.3 | -78.1 | -60.2 | 0 | 0 | 0 | 112.8 | T53 D54 I55 K61 | T53-H57 PolarHBondContact O-CD2 3.12Å; T53-H57 PolarHBondContact O-N 3.27Å; D54-H57 PolarHBondContact O-N 3.28Å; I55-H57 VanDerWaalsContact C-N 3.3Å; I55-H57 PolarHBondContact O-N 2.81Å; H57-K61 WeakPolarHBondContact O-CB 3.1Å; H57-K61 PolarHBondContact O-N 2.82Å |
| 58 | E | 86.7 | Confident | 78.7 | Confident | 97 Ų | 97 | 117.5 Ų | 117.5 | 45% | 0.453 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -69.8 | -40.4 | 177.5 | -167.3 | 60.2 | -144.9 | 0 | 0 | 111.9 | D54 I55 K60 K61 C62 | D54-E58 PolarHBondContact O-N 3.47Å; I55-E58 PolarHBondContact O-N 2.82Å; I55-E58 VanDerWaalsContact O-N 3.15Å; E58-K60 PolarHBondContact O-N 2.98Å; E58-K61 WeakPolarHBondContact O-CB 3.27Å; E58-K61 PolarHBondContact O-N 3.28Å; E58-K61 VanDerWaalsContact O-N 3.15Å; E58-K61 IonicContact OE2-NZ 3.92Å; E58-C62 PolarHBondContact O-N 3.06Å; E58-C62 PolarHBondContact O-SG 3.26Å |
| 59 | V | 83.4 | Confident | 76.5 | Confident | 75 Ų | 75 | 115.6 Ų | 115.6 | 46% | 0.455 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 173.8 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | I55 K61 C62 E63 | I55-V59 HydrophobicContact CG2-CG2 4.21Å; I55-V59 WeakPolarHBondContact O-CG2 3.3Å; I55-V59 PolarHBondContact O-N 3.03Å; V59-K61 PolarHBondContact O-N 3.49Å; V59-C62 PolarHBondContact O-N 3.31Å; V59-C62 VanDerWaalsContact O-N 3.12Å; V59-E63 PolarHBondContact O-N 3.35Å |
| 60 | K | 81.8 | Confident | 74.5 | Confident | 105 Ų | 105 | 115.6 Ų | 115.6 | 46% | 0.457 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64 | -28.4 | 177.3 | -167.6 | 171.6 | -170.5 | 167.8 | 0 | 113.2 | D56 E58 | D56-K60 VanDerWaalsContact O-CB 3.31Å; D56-K60 WeakPolarHBondContact O-CB 3.32Å; D56-K60 PolarHBondContact O-N 3.15Å; E58-K60 PolarHBondContact O-N 2.98Å |
| 61 | K | 77.3 | Confident | 72.5 | Confident | 109 Ų | 109 | 111.8 Ų | 111.8 | 47% | 0.474 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -75.8 | -37.1 | 174 | -172.9 | -177 | 175.1 | -168 | 0 | 111.7 | H57 E58 V59 K65 | H57-K61 WeakPolarHBondContact O-CB 3.1Å; H57-K61 PolarHBondContact O-N 2.82Å; E58-K61 WeakPolarHBondContact O-CB 3.27Å; E58-K61 PolarHBondContact O-N 3.28Å; E58-K61 VanDerWaalsContact O-N 3.15Å; E58-K61 IonicContact OE2-NZ 3.92Å; V59-K61 PolarHBondContact O-N 3.49Å; K61-K65 PolarHBondContact O-N 2.99Å |
| 62 | C | 61.7 | Low | 70.6 | Confident | 58 Ų | 58 | 114.1 Ų | 114.1 | 39% | 0.392 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.2 | -42 | 174 | -74.9 | 0 | 0 | 0 | 0 | 112.3 | E58 V59 R64 K65 E66 | E58-C62 PolarHBondContact O-N 3.06Å; E58-C62 PolarHBondContact O-SG 3.26Å; V59-C62 PolarHBondContact O-N 3.31Å; V59-C62 VanDerWaalsContact O-N 3.12Å; C62-R64 VanDerWaalsContact C-N 3.27Å; C62-R64 PolarHBondContact O-N 3.43Å; C62-K65 WeakPolarHBondContact O-CA 3.16Å; C62-K65 WeakPolarHBondContact O-CB 3.45Å; C62-K65 PolarHBondContact O-N 3.35Å; C62-E66 PolarHBondContact O-N 3.4Å |
| 63 | E | 60.8 | Low | 68.9 | Low | 120 Ų | 120 | 116.4 Ų | 116.4 | 56% | 0.561 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -58.6 | -38.5 | 176.9 | -73.4 | -175.5 | 158.2 | 0 | 0 | 112.4 | V59 K65 E66 E67 | V59-E63 PolarHBondContact O-N 3.35Å; E63-K65 PolarHBondContact O-N 2.87Å; E63-E66 PolarHBondContact O-N 2.87Å; E63-E67 PolarHBondContact O-N 2.88Å |
| 64 | R | 58.8 | Low | 67.7 | Low | 171 Ų | 171 | 119.2 Ų | 119.2 | 65% | 0.645 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -69.9 | -19.4 | 175.9 | -70.8 | 179.3 | -178.8 | 158.9 | -2 | 113.8 | C62 | C62-R64 VanDerWaalsContact C-N 3.27Å; C62-R64 PolarHBondContact O-N 3.43Å |
| 65 | K | 56.2 | Low | 66.6 | Low | 146 Ų | 146 | 124.7 Ų | 124.7 | 64% | 0.635 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -87.3 | -30.3 | 172.6 | -70.5 | -176.7 | 178 | -179.5 | 0 | 111.8 | K61 C62 E63 K68 | K61-K65 PolarHBondContact O-N 2.99Å; C62-K65 WeakPolarHBondContact O-CA 3.16Å; C62-K65 WeakPolarHBondContact O-CB 3.45Å; C62-K65 PolarHBondContact O-N 3.35Å; E63-K65 PolarHBondContact O-N 2.87Å; K65-K68 PolarHBondContact O-N 3.38Å |
| 66 | E | 51.7 | Low | 65.8 | Low | 107 Ų | 107 | 124.1 Ų | 124.1 | 50% | 0.5 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -71.8 | -28.3 | 175.5 | -74.1 | -172 | 176.9 | 0 | 0 | 113.5 | C62 E63 K68 S69 R70 | C62-E66 PolarHBondContact O-N 3.4Å; E63-E66 PolarHBondContact O-N 2.87Å; E66-K68 PolarHBondContact O-N 2.78Å; E66-S69 PolarHBondContact O-N 2.96Å; E66-S69 PolarHBondContact O-OG 3.26Å; E66-R70 WeakPolarHBondContact O-CG 3.33Å; E66-R70 PolarHBondContact O-N 2.82Å |
| 67 | E | 52.1 | Low | 65.1 | Low | 139 Ų | 139 | 126.8 Ų | 126.8 | 65% | 0.65 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -18.9 | 175.6 | -74.5 | -172.4 | 155.2 | 0 | 0 | 113.7 | E63 | E63-E67 PolarHBondContact O-N 2.88Š|
| 68 | K | 52.2 | Low | 64.8 | Low | 195 Ų | 195 | 123.6 Ų | 123.6 | 85% | 0.848 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -7.9 | 174.3 | -69.3 | -175.5 | 179.7 | -178.2 | 0 | 114.4 | K65 E66 | K65-K68 PolarHBondContact O-N 3.38Å; E66-K68 PolarHBondContact O-N 2.78Å |
| 69 | S | 50.3 | Low | 64.9 | Low | 60 Ų | 60 | 126 Ų | 126 | 42% | 0.42 | 60% | 0.604 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.2 | -3.5 | 175.6 | 61.6 | 0 | 0 | 0 | 0 | 114.1 | E66 A71 M72 | E66-S69 PolarHBondContact O-N 2.96Å; E66-S69 PolarHBondContact O-OG 3.26Å; S69-A71 PolarHBondContact O-N 3.15Å; S69-M72 WeakPolarHBondContact O-CB 3.47Å; S69-M72 PolarHBondContact O-N 2.81Å |
| 70 | R | 54.6 | Low | 65 | Low | 187 Ų | 187 | 129.2 Ų | 129.2 | 71% | 0.706 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -0 | 176.7 | -76.1 | 177.4 | -173.8 | -174.8 | 4.5 | 115.6 | E66 | E66-R70 WeakPolarHBondContact O-CG 3.33Å; E66-R70 PolarHBondContact O-N 2.82Å |
| 71 | A | 51.4 | Low | 65.2 | Low | 98 Ų | 98 | 130.2 Ų | 130.2 | 81% | 0.81 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 5.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S69 | S69-A71 PolarHBondContact O-N 3.15Š|
| 72 | M | 53.7 | Low | 65.8 | Low | 118 Ų | 118 | 127.1 Ų | 127.1 | 58% | 0.581 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -75.4 | 133.6 | 174.5 | -85.2 | -172.1 | 139.7 | 0 | 0 | 111.6 | S69 E76 | S69-M72 WeakPolarHBondContact O-CB 3.47Å; S69-M72 PolarHBondContact O-N 2.81Å; M72-E76 HydrophobicContact CB-CB 4.43Å; M72-E76 WeakPolarHBondContact CB-OE2 3.16Å; M72-E76 VanDerWaalsContact CE-OE1 3.29Å; M72-E76 WeakPolarHBondContact CE-OE1 3.31Å; M72-E76 VanDerWaalsContact CE-OE2 3.32Å; M72-E76 WeakPolarHBondContact CE-OE2 3.29Å; M72-E76 WeakPolarHBondContact CG-OE2 3.43Å; M72-E76 VanDerWaalsContact SD-OE2 3.32Å |
| 73 | K | 59.8 | Low | 67.2 | Low | 163 Ų | 163 | 128.9 Ų | 128.9 | 71% | 0.709 | 62% | 0.619 | S | S | * | * | trans | -55.8 | 145.4 | -171 | -66.8 | 168.2 | -178.9 | 172.3 | 0 | 109.7 | R75 E76 | K73-R75 PolarHBondContact O-N 3.09Å; K73-E76 PolarHBondContact O-N 3.34Å | ||
| 74 | P | 67.9 | Low | 68.7 | Low | 120 Ų | 120 | 130.5 Ų | 130.5 | 78% | 0.779 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -51.8 | -18.9 | -176.3 | 15.7 | -29.6 | 0 | 0 | 0 | 115 | ||
| 75 | R | 67.6 | Low | 70.4 | Confident | 221 Ų | 221 | 125.4 Ų | 125.4 | 83% | 0.834 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.4 | -32.3 | 173.5 | -169.5 | 174.3 | 174 | 174.4 | -2.2 | 114.5 | K73 K79 | K73-R75 PolarHBondContact O-N 3.09Å; R75-K79 PolarHBondContact O-N 2.94Å |
| 76 | E | 73.9 | Confident | 72.1 | Confident | 89 Ų | 89 | 122 Ų | 122 | 42% | 0.416 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -77.7 | -37.6 | -178.9 | -82.9 | 170.6 | 145.3 | 0 | 0 | 112.2 | M72 K73 A78 K79 E80 | M72-E76 HydrophobicContact CB-CB 4.43Å; M72-E76 WeakPolarHBondContact CB-OE2 3.16Å; M72-E76 VanDerWaalsContact CE-OE1 3.29Å; M72-E76 WeakPolarHBondContact CE-OE1 3.31Å; M72-E76 VanDerWaalsContact CE-OE2 3.32Å; M72-E76 WeakPolarHBondContact CE-OE2 3.29Å; M72-E76 WeakPolarHBondContact CG-OE2 3.43Å; M72-E76 VanDerWaalsContact SD-OE2 3.32Å; K73-E76 PolarHBondContact O-N 3.34Å; E76-A78 VanDerWaalsContact C-N 3.33Å; E76-A78 PolarHBondContact O-N 3.09Å; E76-K79 WeakPolarHBondContact O-CB 3.39Å; E76-K79 PolarHBondContact O-N 3.36Å; E76-K79 VanDerWaalsContact O-N 3.07Å; E76-E80 PolarHBondContact O-N 3.41Å |
| 77 | K | 77.2 | Confident | 74 | Confident | 159 Ų | 159 | 125.1 Ų | 125.1 | 69% | 0.691 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -62.2 | -40.9 | 177.4 | -159.2 | 176.9 | -175.8 | -174.4 | 0 | 112.2 | K79 E80 E81 | K77-K79 VanDerWaalsContact C-N 3.3Å; K77-K79 PolarHBondContact O-N 3.15Å; K77-E80 PolarHBondContact O-N 3.42Å; K77-E81 PolarHBondContact O-N 3.06Å |
| 78 | A | 82.3 | Confident | 76 | Confident | 59 Ų | 59 | 122.3 Ų | 122.3 | 49% | 0.488 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64.4 | -34.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E76 A82 | E76-A78 VanDerWaalsContact C-N 3.33Å; E76-A78 PolarHBondContact O-N 3.09Å; A78-A82 VanDerWaalsContact O-CB 3.25Å; A78-A82 WeakPolarHBondContact O-CB 3.3Å; A78-A82 PolarHBondContact O-N 3.42Å |
| 79 | K | 88.3 | Confident | 77.8 | Confident | 148 Ų | 148 | 115.9 Ų | 115.9 | 64% | 0.643 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -69.3 | -40.1 | 176.9 | -171.6 | -177.9 | 177.8 | -174.3 | 0 | 111.5 | R75 E76 K77 M83 | R75-K79 PolarHBondContact O-N 2.94Å; E76-K79 WeakPolarHBondContact O-CB 3.39Å; E76-K79 PolarHBondContact O-N 3.36Å; E76-K79 VanDerWaalsContact O-N 3.07Å; K77-K79 VanDerWaalsContact C-N 3.3Å; K77-K79 PolarHBondContact O-N 3.15Å; K79-M83 WeakPolarHBondContact O-CB 3.38Å; K79-M83 VanDerWaalsContact O-CG 3.23Å; K79-M83 WeakPolarHBondContact O-CG 3.33Å; K79-M83 PolarHBondContact O-N 3.4Å |
| 80 | E | 84.8 | Confident | 79.7 | Confident | 141 Ų | 141 | 116.3 Ų | 116.3 | 66% | 0.659 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.4 | -42.9 | 177.5 | -171.5 | 177.6 | -178.7 | 0 | 0 | 111.8 | E76 K77 M83 K84 | E76-E80 PolarHBondContact O-N 3.41Å; K77-E80 PolarHBondContact O-N 3.42Å; E80-M83 PolarHBondContact O-N 2.92Å; E80-K84 WeakPolarHBondContact O-CB 3.33Å; E80-K84 PolarHBondContact O-N 3.5Å |
| 81 | E | 87.6 | Confident | 81.2 | Confident | 127 Ų | 127 | 111.2 Ų | 111.2 | 59% | 0.593 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.9 | -43.9 | 175.3 | -167.9 | 174.6 | 179.1 | 0 | 0 | 111.7 | K77 M83 K84 L85 | K77-E81 PolarHBondContact O-N 3.06Å; E81-M83 PolarHBondContact O-N 3.35Å; E81-K84 WeakPolarHBondContact O-CB 3.38Å; E81-K84 PolarHBondContact O-N 2.99Å; E81-K84 VanDerWaalsContact O-N 3.16Å; E81-L85 WeakPolarHBondContact O-CG 3.33Å; E81-L85 PolarHBondContact O-N 3.39Å |
| 82 | A | 88.8 | Confident | 82.8 | Confident | 44 Ų | 44 | 111.4 Ų | 111.4 | 36% | 0.364 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -61.8 | -42 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A78 K84 L85 L86 | A78-A82 VanDerWaalsContact O-CB 3.25Å; A78-A82 WeakPolarHBondContact O-CB 3.3Å; A78-A82 PolarHBondContact O-N 3.42Å; A82-K84 VanDerWaalsContact C-N 3.3Å; A82-K84 PolarHBondContact O-N 3.04Å; A82-L85 PolarHBondContact O-N 2.98Å; A82-L86 WeakPolarHBondContact O-CG 3.32Å; A82-L86 PolarHBondContact O-N 3.48Å |
| 83 | M | 92.2 | Very high | 84.2 | Confident | 94 Ų | 94 | 111.2 Ų | 111.2 | 46% | 0.463 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.1 | -36.1 | 174.2 | -79.1 | -111.8 | -71.1 | 0 | 0 | 112.1 | K79 E80 E81 L86 K87 | K79-M83 WeakPolarHBondContact O-CB 3.38Å; K79-M83 VanDerWaalsContact O-CG 3.23Å; K79-M83 WeakPolarHBondContact O-CG 3.33Å; K79-M83 PolarHBondContact O-N 3.4Å; E80-M83 PolarHBondContact O-N 2.92Å; E81-M83 PolarHBondContact O-N 3.35Å; M83-L86 PolarHBondContact O-N 2.92Å; M83-K87 WeakPolarHBondContact O-CB 3.41Å; M83-K87 VanDerWaalsContact O-CG 3.31Å; M83-K87 WeakPolarHBondContact O-CG 3.45Å; M83-K87 PolarHBondContact O-N 3.11Å |
| 84 | K | 92.1 | Very high | 85.3 | Confident | 154 Ų | 154 | 109.6 Ų | 109.6 | 67% | 0.67 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.3 | -42.3 | 176.1 | -170.2 | 176 | -179.1 | 179 | 0 | 111.3 | E80 E81 A82 K87 S88 | E80-K84 WeakPolarHBondContact O-CB 3.33Å; E80-K84 PolarHBondContact O-N 3.5Å; E81-K84 WeakPolarHBondContact O-CB 3.38Å; E81-K84 PolarHBondContact O-N 2.99Å; E81-K84 VanDerWaalsContact O-N 3.16Å; A82-K84 VanDerWaalsContact C-N 3.3Å; A82-K84 PolarHBondContact O-N 3.04Å; K84-K87 PolarHBondContact O-N 3.36Å; K84-S88 WeakPolarHBondContact O-CB 3.3Å; K84-S88 PolarHBondContact O-N 2.98Å; K84-S88 PolarHBondContact O-OG 3.44Å |
| 85 | L | 94 | Very high | 85.8 | Confident | 65 Ų | 65 | 110.8 Ų | 110.8 | 34% | 0.34 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.7 | -34.3 | 177.5 | -66.6 | 173 | 0 | 0 | 0 | 112.9 | E81 A82 S88 G89 A90 I91 | E81-L85 WeakPolarHBondContact O-CG 3.33Å; E81-L85 PolarHBondContact O-N 3.39Å; A82-L85 PolarHBondContact O-N 2.98Å; L85-S88 PolarHBondContact O-OG 3.03Å; L85-G89 PolarHBondContact O-N 3.07Å; L85-A90 HydrophobicContact CB-CB 4.4Å; L85-A90 HydrophobicContact CD2-CB 3.87Å; L85-A90 PolarHBondContact O-N 3.43Å; L85-I91 HydrophobicContact CB-CB 4.47Å; L85-I91 HydrophobicContact CB-CD1 3.65Å; L85-I91 HydrophobicContact CB-CG1 3.92Å; L85-I91 HydrophobicContact CD1-CD1 3.7Å; L85-I91 HydrophobicContact CD1-CG1 4.49Å; L85-I91 HydrophobicContact CG-CD1 4.3Å; L85-I91 PolarHBondContact O-N 3.14Å; L85-I91 VanDerWaalsContact O-N 3.09Å |
| 86 | L | 91.4 | Very high | 85.9 | Confident | 74 Ų | 74 | 106.1 Ų | 106.1 | 39% | 0.387 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.7 | -46.8 | 170.5 | -76.8 | 160.2 | 0 | 0 | 0 | 111.5 | A82 M83 S88 G89 I91 I93 | A82-L86 WeakPolarHBondContact O-CG 3.32Å; A82-L86 PolarHBondContact O-N 3.48Å; M83-L86 PolarHBondContact O-N 2.92Å; L86-S88 PolarHBondContact O-N 3.47Å; L86-G89 PolarHBondContact O-N 2.83Å; L86-I91 HydrophobicContact CD2-CG2 4.47Å; L86-I93 HydrophobicContact CD1-CD1 4.26Å; L86-I93 HydrophobicContact CD2-CD1 3.47Å; L86-I93 VanDerWaalsContact CD2-CD1 3.47Å; L86-I93 HydrophobicContact CD2-CG1 3.66Å |
| 87 | K | 92.7 | Very high | 85.6 | Confident | 172 Ų | 172 | 109.4 Ų | 109.4 | 75% | 0.748 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.5 | -34.8 | 179.5 | -76.4 | 179 | 179.3 | -175.6 | 0 | 113.1 | M83 K84 G89 | M83-K87 WeakPolarHBondContact O-CB 3.41Å; M83-K87 VanDerWaalsContact O-CG 3.31Å; M83-K87 WeakPolarHBondContact O-CG 3.45Å; M83-K87 PolarHBondContact O-N 3.11Å; K84-K87 PolarHBondContact O-N 3.36Å; K87-G89 PolarHBondContact O-N 3.22Å |
| 88 | S | 93 | Very high | 85.1 | Confident | 81 Ų | 81 | 108.8 Ų | 108.8 | 57% | 0.566 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -2.9 | 177.6 | 71 | 0 | 0 | 0 | 0 | 113.3 | K84 L85 L86 A90 | K84-S88 WeakPolarHBondContact O-CB 3.3Å; K84-S88 PolarHBondContact O-N 2.98Å; K84-S88 PolarHBondContact O-OG 3.44Å; L85-S88 PolarHBondContact O-OG 3.03Å; L86-S88 PolarHBondContact O-N 3.47Å; S88-A90 PolarHBondContact O-N 2.99Å; S88-A90 WeakPolarHBondContact OG-CB 3.45Å; S88-A90 PolarHBondContact OG-N 2.84Å |
| 89 | G | 89.5 | Confident | 84.3 | Confident | 59 Ų | 59 | 116.7 Ų | 116.7 | 61% | 0.608 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.4 | 12.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114 | L85 L86 K87 I91 | L85-G89 PolarHBondContact O-N 3.07Å; L86-G89 PolarHBondContact O-N 2.83Å; K87-G89 PolarHBondContact O-N 3.22Å; G89-I91 VanDerWaalsContact C-N 3.29Å |
| 90 | A | 91.3 | Very high | 83.2 | Confident | 69 Ų | 69 | 117.2 Ų | 117.2 | 57% | 0.57 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -72.5 | -27.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L85 S88 | L85-A90 HydrophobicContact CB-CB 4.4Å; L85-A90 HydrophobicContact CD2-CB 3.87Å; L85-A90 PolarHBondContact O-N 3.43Å; S88-A90 PolarHBondContact O-N 2.99Å; S88-A90 WeakPolarHBondContact OG-CB 3.45Å; S88-A90 PolarHBondContact OG-N 2.84Å |
| 91 | I | 85.5 | Confident | 82 | Confident | 81 Ų | 81 | 114.8 Ų | 114.8 | 42% | 0.415 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -121.7 | 124.7 | 169.5 | -60.1 | 172.8 | 0 | 0 | 0 | 107.3 | L85 L86 G89 | L85-I91 HydrophobicContact CB-CB 4.47Å; L85-I91 HydrophobicContact CB-CD1 3.65Å; L85-I91 HydrophobicContact CB-CG1 3.92Å; L85-I91 HydrophobicContact CD1-CD1 3.7Å; L85-I91 HydrophobicContact CD1-CG1 4.49Å; L85-I91 HydrophobicContact CG-CD1 4.3Å; L85-I91 PolarHBondContact O-N 3.14Å; L85-I91 VanDerWaalsContact O-N 3.09Å; L86-I91 HydrophobicContact CD2-CG2 4.47Å; G89-I91 VanDerWaalsContact C-N 3.29Å |
| 92 | S | 85.8 | Confident | 81 | Confident | 102 Ų | 102 | 117.5 Ų | 117.5 | 71% | 0.713 | 61% | 0.61 | S | S | * | * | trans | -105 | 128.5 | 168.1 | -174.3 | 0 | 0 | 0 | 0 | 108.6 | E94 | S92-E94 PolarHBondContact O-N 2.88Š| ||
| 93 | I | 82.5 | Confident | 79.9 | Confident | 114 Ų | 114 | 124.3 Ų | 124.3 | 59% | 0.585 | 63% | 0.631 | S | S | * | * | trans | -88 | 96 | 170.7 | -61 | 167.1 | 0 | 0 | 0 | 106 | L86 N95 | L86-I93 HydrophobicContact CD1-CD1 4.26Å; L86-I93 HydrophobicContact CD2-CD1 3.47Å; L86-I93 VanDerWaalsContact CD2-CD1 3.47Å; L86-I93 HydrophobicContact CD2-CG1 3.66Å; I93-N95 PolarHBondContact O-N 2.98Å | ||
| 94 | E | 82.2 | Confident | 78.8 | Confident | 128 Ų | 128 | 131 Ų | 131 | 60% | 0.598 | 65% | 0.652 | S | S | * | * | trans | -65.7 | 124.2 | 165.8 | -77.4 | 176.4 | 120.2 | 0 | 0 | 108.5 | S92 K96 | S92-E94 PolarHBondContact O-N 2.88Å; E94-K96 HydrophobicContact CB-CD 4.15Å; E94-K96 HydrophobicContact CB-CG 4.02Å; E94-K96 PolarHBondContact O-N 3.04Å; E94-K96 VanDerWaalsContact OE1-CE 3.25Å; E94-K96 WeakPolarHBondContact OE1-CE 3.39Å; E94-K96 IonicContact OE1-NZ 3.02Å; E94-K96 PolarHBondContact OE1-NZ 3.04Å; E94-K96 WeakPolarHBondContact OE2-CE 3.48Å; E94-K96 IonicContact OE2-NZ 2.6Å; E94-K96 PolarHBondContact OE2-NZ 2.79Å | ||
| 95 | N | 78.2 | Confident | 77.5 | Confident | 146 Ų | 146 | 133 Ų | 133 | 78% | 0.781 | 66% | 0.66 | S | S | * | * | trans | -70.9 | 69.3 | 172 | -67.5 | -28.8 | 0 | 0 | 0 | 109.7 | I93 N97 | I93-N95 PolarHBondContact O-N 2.98Å; N95-N97 PolarHBondContact O-N 2.96Å | ||
| 96 | K | 71.1 | Confident | 75.9 | Confident | 122 Ų | 122 | 135.6 Ų | 135.6 | 53% | 0.53 | 68% | 0.681 | S | S | . | * | trans | -93 | 99.2 | 173.2 | -68.4 | 176.2 | 178.1 | 168.3 | 0 | 107.6 | E94 E98 | E94-K96 HydrophobicContact CB-CD 4.15Å; E94-K96 HydrophobicContact CB-CG 4.02Å; E94-K96 PolarHBondContact O-N 3.04Å; E94-K96 VanDerWaalsContact OE1-CE 3.25Å; E94-K96 WeakPolarHBondContact OE1-CE 3.39Å; E94-K96 IonicContact OE1-NZ 3.02Å; E94-K96 PolarHBondContact OE1-NZ 3.04Å; E94-K96 WeakPolarHBondContact OE2-CE 3.48Å; E94-K96 IonicContact OE2-NZ 2.6Å; E94-K96 PolarHBondContact OE2-NZ 2.79Å; K96-E98 HydrophobicContact CB-CB 4.27Å; K96-E98 PolarHBondContact O-N 3.48Å | ||
| 97 | N | 67.1 | Low | 74.6 | Confident | 158 Ų | 158 | 142 Ų | 142 | 85% | 0.845 | 71% | 0.706 | S | S | * | * | trans | -65.6 | 13.3 | 168.2 | -46.4 | -9.8 | 0 | 0 | 0 | 111.7 | N95 R99 | N95-N97 PolarHBondContact O-N 2.96Å; N97-R99 PolarHBondContact O-N 3.14Å | ||
| 98 | E | 66.6 | Low | 73 | Confident | 146 Ų | 146 | 142.9 Ų | 142.9 | 68% | 0.682 | 71% | 0.713 | S | S | * | * | trans | -84.7 | 98.7 | -173.7 | -154.7 | 164.6 | -148.9 | 0 | 0 | 107.1 | K96 H100 | K96-E98 HydrophobicContact CB-CB 4.27Å; K96-E98 PolarHBondContact O-N 3.48Å; E98-H100 VanDerWaalsContact C-N 3.26Å; E98-H100 PolarHBondContact O-N 2.74Å | ||
| 99 | R | 64.7 | Low | 70.8 | Confident | 226 Ų | 226 | 144.3 Ų | 144.3 | 85% | 0.853 | 72% | 0.723 | S | S | * | * | trans | -55.9 | 98.1 | 168.3 | -71.7 | -179.2 | 178.2 | -172.1 | -0.3 | 107.2 | N97 T101 | N97-R99 PolarHBondContact O-N 3.14Å; R99-T101 PolarHBondContact O-N 2.73Å; R99-T101 PolarHBondContact O-OG1 2.7Å | ||
| 100 | H | 65.5 | Low | 68.9 | Low | 158 Ų | 158 | 150.2 Ų | 150.2 | 73% | 0.731 | 74% | 0.735 | S | S | * | * | trans | -74.4 | 64.1 | 169 | -143.3 | 58.1 | 0 | 0 | 0 | 108.2 | E98 F102 | E98-H100 VanDerWaalsContact C-N 3.26Å; E98-H100 PolarHBondContact O-N 2.74Å; H100-F102 PolarHBondContact O-N 3.34Å | ||
| 101 | T | 60.8 | Low | 67 | Low | 90 Ų | 90 | 154.5 Ų | 154.5 | 55% | 0.552 | 74% | 0.743 | S | S | * | * | trans | -70.3 | 115.2 | 161.3 | 32.4 | 0 | 0 | 0 | 0 | 106.7 | R99 K103 | R99-T101 PolarHBondContact O-N 2.73Å; R99-T101 PolarHBondContact O-OG1 2.7Å; T101-K103 VanDerWaalsContact C-N 3.28Å; T101-K103 PolarHBondContact O-N 2.95Å | ||
| 102 | F | 66.1 | Low | 65.5 | Low | 185 Ų | 185 | 157.3 Ų | 157.3 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | trans | -55.9 | 94.3 | 167.5 | -18.9 | -87.5 | 0 | 0 | 0 | 107.6 | H100 R104 | H100-F102 PolarHBondContact O-N 3.34Å; F102-R104 VanDerWaalsContact C-N 3.26Å; F102-R104 PolarHBondContact O-N 3.15Å | ||
| 103 | K | 66.6 | Low | 64 | Low | 186 Ų | 186 | 161 Ų | 161 | 81% | 0.809 | 76% | 0.764 | S | S | * | * | trans | -67.9 | 87.8 | 174.2 | -72.2 | -84.7 | -174.4 | 171.3 | 0 | 107.2 | T101 K105 | T101-K103 VanDerWaalsContact C-N 3.28Å; T101-K103 PolarHBondContact O-N 2.95Å; K103-K105 PolarHBondContact O-N 3.1Å | ||
| 104 | R | 67.3 | Low | 62.8 | Low | 236 Ų | 236 | 162 Ų | 162 | 89% | 0.891 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 122.4 | 159.6 | -75.3 | -179.2 | 150.9 | 178.5 | -7.4 | 107.1 | F102 | F102-R104 VanDerWaalsContact C-N 3.26Å; F102-R104 PolarHBondContact O-N 3.15Å |
| 105 | K | 65.3 | Low | 61.2 | Low | 194 Ų | 194 | 161.9 Ų | 161.9 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 135.6 | 176.5 | -73 | -81.2 | -175.5 | 166.1 | 0 | 109.5 | K103 | K103-K105 PolarHBondContact O-N 3.1Š|
| 106 | P | 60.9 | Low | 59.8 | Low | 121 Ų | 121 | 158.3 Ų | 158.3 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 137 | 170.7 | -14.3 | 28.5 | 0 | 0 | 0 | 109.7 | ||
| 107 | K | 64.2 | Low | 59 | Low | 207 Ų | 207 | 158.5 Ų | 158.5 | 90% | 0.9 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 118.9 | 177.3 | -170.6 | 170.8 | -178.7 | 179.4 | 0 | 107.9 | ||
| 108 | E | 58.2 | Low | 58.1 | Low | 192 Ų | 192 | 156.8 Ų | 156.8 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 144.6 | 171.2 | -73.3 | 169.3 | 171.5 | 0 | 0 | 110 | ||
| 109 | S | 46.8 | Very low | 57.5 | Low | 111 Ų | 111 | 157.1 Ų | 157.1 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -115.5 | 128.9 | -172.8 | 50.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 110 | E | 50 | Low | 57 | Low | 183 Ų | 183 | 152.9 Ų | 152.9 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | -175 | 129.3 | 164.7 | -104.3 | 177.6 | -172.5 | 0 | 0 | 102.2 | ||||
| 111 | E | 50.7 | Low | 56.2 | Low | 158 Ų | 158 | 150.7 Ų | 150.7 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | cis | -153.5 | 177.6 | 8.2 | -55 | -166.8 | 132 | 0 | 0 | 107.8 | ||||
| 112 | D | 54.4 | Low | 55.9 | Low | 140 Ų | 140 | 155.9 Ų | 155.9 | 75% | 0.749 | 81% | 0.809 | S | S | * | * | trans | 86.1 | 94.6 | 159.1 | -57.8 | -23.8 | 0 | 0 | 0 | 121.1 | ||||
| 113 | E | 55 | Low | 55.5 | Low | 179 Ų | 179 | 152.9 Ų | 152.9 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | 30.4 | 115.7 | 127.2 | -61.6 | -164.9 | 144.5 | 0 | 0 | 119.5 | |||||
| 114 | V | 57.6 | Low | 55 | Low | 135 Ų | 135 | 154.1 Ų | 154.1 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | 176.5 | 137.8 | 101.7 | 161.2 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 115 | P | 47.6 | Very low | 54.8 | Low | 127 Ų | 127 | 151 Ų | 151 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -100.4 | 145.2 | -166.6 | 10 | 12 | 0 | 0 | 0 | 113.6 | ||||
| 116 | G | 49.3 | Very low | 54.6 | Low | 71 Ų | 71 | 146.3 Ų | 146.3 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | trans | 157.4 | 147 | 152.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 117 | P | 53.7 | Low | 54.9 | Low | 125 Ų | 125 | 148.2 Ų | 148.2 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | -129.1 | 168.1 | -131.6 | 40.6 | -24.5 | 0 | 0 | 0 | 115.2 | ||||
| 118 | N | 49.6 | Very low | 55.1 | Low | 123 Ų | 123 | 147 Ų | 147 | 66% | 0.658 | 79% | 0.792 | S | S | * | * | trans | 67.3 | 108.3 | 137.3 | -162.9 | -9 | 0 | 0 | 0 | 118.9 | ||||
| 119 | V | 53.7 | Low | 55.3 | Low | 152 Ų | 152 | 148.5 Ų | 148.5 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | -149.4 | 133.4 | 129.3 | -104.5 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 120 | N | 54.5 | Low | 56.6 | Low | 137 Ų | 137 | 150.2 Ų | 150.2 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | -72.6 | 172.6 | -169 | -100.2 | -52 | 0 | 0 | 0 | 115.9 | ||||
| 121 | P | 48.3 | Very low | 57.4 | Low | 113 Ų | 113 | 148.4 Ų | 148.4 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -90.8 | 151 | -154 | 36.9 | -36 | 0 | 0 | 0 | 113.4 | ||||
| 122 | K | 53.1 | Low | 58 | Low | 199 Ų | 199 | 148.8 Ų | 148.8 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | trans | -129.9 | 116.6 | 167.1 | -78 | -176.9 | 179.4 | 174.9 | 0 | 111.4 | ||||
| 123 | V | 58.3 | Low | 58.9 | Low | 121 Ų | 121 | 148.1 Ų | 148.1 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | 57.9 | 92.2 | 141.7 | -167.1 | 0 | 0 | 0 | 0 | 115.9 | Q125 | V123-Q125 HydrophobicContact CG1-CG 4.23Å; V123-Q125 PolarHBondContact O-N 3.04Å | ||
| 124 | K | 57.3 | Low | 59.5 | Low | 213 Ų | 213 | 142.4 Ų | 142.4 | 93% | 0.926 | 78% | 0.778 | S | S | * | * | trans | -65.3 | 95.8 | 158.2 | -69.9 | -179.4 | 179.9 | 177.6 | 0 | 108.5 | S126 | K124-S126 PolarHBondContact O-N 2.72Š| ||
| 125 | Q | 62.5 | Low | 59.9 | Low | 171 Ų | 171 | 141.8 Ų | 141.8 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | trans | -64.6 | 124.1 | 165.8 | -77.6 | -179.6 | -14.4 | 0 | 0 | 108.8 | V123 L127 | V123-Q125 HydrophobicContact CG1-CG 4.23Å; V123-Q125 PolarHBondContact O-N 3.04Å; Q125-L127 PolarHBondContact O-N 3.25Å | ||
| 126 | S | 61.8 | Low | 60.6 | Low | 94 Ų | 94 | 143.5 Ų | 143.5 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | trans | -61.8 | 114.5 | 175.3 | 51.9 | 0 | 0 | 0 | 0 | 110.8 | K124 Y128 | K124-S126 PolarHBondContact O-N 2.72Å; S126-Y128 PolarHBondContact O-N 3.19Å | ||
| 127 | L | 66.3 | Low | 60.9 | Low | 161 Ų | 161 | 147.3 Ų | 147.3 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -1.9 | 178.7 | -76.4 | 162.7 | 0 | 0 | 0 | 115.1 | Q125 | Q125-L127 PolarHBondContact O-N 3.25Š|
| 128 | Y | 67.9 | Low | 60.9 | Low | 183 Ų | 183 | 148.8 Ų | 148.8 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | 9 | -171.9 | -96.5 | -92 | 0 | 0 | 0 | 115.4 | S126 N130 F131 | S126-Y128 PolarHBondContact O-N 3.19Å; Y128-N130 PolarHBondContact O-N 3.39Å; Y128-F131 AromaticContact CD1-CD2 3.43Å; Y128-F131 HydrophobicContact CD1-CD2 3.43Å; Y128-F131 VanDerWaalsContact CD1-CD2 3.43Å; Y128-F131 AromaticContact CD1-CE2 3.46Å; Y128-F131 HydrophobicContact CD1-CE2 3.46Å; Y128-F131 VanDerWaalsContact CD1-CE2 3.46Å; Y128-F131 AromaticContact CE1-CD2 3.83Å; Y128-F131 HydrophobicContact CE1-CD2 3.83Å; Y128-F131 AromaticContact CE1-CE2 3.45Å; Y128-F131 HydrophobicContact CE1-CE2 3.45Å; Y128-F131 VanDerWaalsContact CE1-CE2 3.45Å; Y128-F131 HydrophobicContact CE1-CZ 4.23Å; Y128-F131 HydrophobicContact CG-CD2 4.3Å; Y128-F131 HydrophobicContact CG-CE2 4.27Å |
| 129 | R | 63.9 | Low | 60.7 | Low | 222 Ų | 222 | 147.9 Ų | 147.9 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -13.6 | -179.2 | -160.9 | 177.6 | -179.9 | 173.1 | 1.2 | 114.2 | F131 | R129-F131 PolarHBondContact O-N 3.08Š|
| 130 | N | 72.5 | Confident | 60.6 | Low | 147 Ų | 147 | 149.6 Ų | 149.6 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -0.1 | -174.6 | -63.5 | -18.9 | 0 | 0 | 0 | 114.7 | Y128 L132 | Y128-N130 PolarHBondContact O-N 3.39Å; N130-L132 PolarHBondContact O-N 3.46Å |
| 131 | F | 66.5 | Low | 60.2 | Low | 146 Ų | 146 | 146.2 Ų | 146.2 | 64% | 0.64 | 79% | 0.791 | S | S | * | * | trans | -88.3 | 90.2 | 174.4 | -65.7 | -80.5 | 0 | 0 | 0 | 109.6 | Y128 R129 P133 | Y128-F131 AromaticContact CD1-CD2 3.43Å; Y128-F131 HydrophobicContact CD1-CD2 3.43Å; Y128-F131 VanDerWaalsContact CD1-CD2 3.43Å; Y128-F131 AromaticContact CD1-CE2 3.46Å; Y128-F131 HydrophobicContact CD1-CE2 3.46Å; Y128-F131 VanDerWaalsContact CD1-CE2 3.46Å; Y128-F131 AromaticContact CE1-CD2 3.83Å; Y128-F131 HydrophobicContact CE1-CD2 3.83Å; Y128-F131 AromaticContact CE1-CE2 3.45Å; Y128-F131 HydrophobicContact CE1-CE2 3.45Å; Y128-F131 VanDerWaalsContact CE1-CE2 3.45Å; Y128-F131 HydrophobicContact CE1-CZ 4.23Å; Y128-F131 HydrophobicContact CG-CD2 4.3Å; Y128-F131 HydrophobicContact CG-CE2 4.27Å; R129-F131 PolarHBondContact O-N 3.08Å; F131-P133 WeakPolarHBondContact O-CD 3.49Å | ||
| 132 | L | 65.2 | Low | 60.1 | Low | 166 Ų | 166 | 146.5 Ų | 146.5 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 123.8 | 163.1 | -75.7 | 166.3 | 0 | 0 | 0 | 108.6 | N130 G134 | N130-L132 PolarHBondContact O-N 3.46Å; L132-G134 PolarHBondContact O-N 3.48Å |
| 133 | P | 72.3 | Confident | 59.9 | Low | 125 Ų | 125 | 144.5 Ų | 144.5 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 116.8 | 170.3 | -19.4 | 32.1 | 0 | 0 | 0 | 109.4 | F131 | F131-P133 WeakPolarHBondContact O-CD 3.49Š|
| 134 | G | 67.8 | Low | 59.6 | Low | 60 Ų | 60 | 145.6 Ų | 145.6 | 62% | 0.619 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 152.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L132 I136 | L132-G134 PolarHBondContact O-N 3.48Å; G134-I136 PolarHBondContact O-N 3.28Å |
| 135 | P | 65.8 | Low | 59.2 | Low | 121 Ų | 121 | 144.6 Ų | 144.6 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 133.3 | -173 | 25.1 | -33.2 | 0 | 0 | 0 | 112.1 | L137 | P135-L137 PolarHBondContact O-N 3.28Š|
| 136 | I | 63.3 | Low | 58.3 | Low | 164 Ų | 164 | 147.2 Ų | 147.2 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | -75.2 | 100.7 | 171.6 | -57.2 | 170.6 | 0 | 0 | 0 | 107.3 | G134 N138 | G134-I136 PolarHBondContact O-N 3.28Å; I136-N138 PolarHBondContact O-N 2.97Å | ||
| 137 | L | 54.9 | Low | 57.7 | Low | 151 Ų | 151 | 150.8 Ų | 150.8 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -81.1 | 99.5 | 167.5 | -66.4 | 176 | 0 | 0 | 0 | 108.1 | P135 | P135-L137 PolarHBondContact O-N 3.28Š| ||
| 138 | N | 53.8 | Low | 56.5 | Low | 155 Ų | 155 | 150 Ų | 150 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | trans | 159.9 | 91.5 | 144.5 | -79.1 | -15.3 | 0 | 0 | 0 | 110 | I136 | I136-N138 PolarHBondContact O-N 2.97Š| ||
| 139 | A | 45.1 | Very low | 55.4 | Low | 105 Ų | 105 | 147.9 Ų | 147.9 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | trans | -156.2 | 78.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 140 | L | 51.6 | Low | 54.4 | Low | 188 Ų | 188 | 142.7 Ų | 142.7 | 98% | 0.984 | 79% | 0.792 | S | S | * | * | trans | -109.9 | 124.6 | 154.1 | -85.1 | 150.3 | 0 | 0 | 0 | 103.9 | ||||
| 141 | G | 45.3 | Very low | 53.4 | Low | 66 Ų | 66 | 140.8 Ų | 140.8 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | cis | -176.2 | 151.9 | -6 | 0 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 142 | P | 47.5 | Very low | 52.1 | Low | 118 Ų | 118 | 141.6 Ų | 141.6 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | trans | -85 | 137.5 | 177.8 | 33.7 | -28.1 | 0 | 0 | 0 | 109.3 | ||||
| 143 | E | 48.8 | Very low | 51.3 | Low | 158 Ų | 158 | 144.4 Ų | 144.4 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | trans | -165.3 | 109.1 | 147.1 | -88 | -44.9 | 116.7 | 0 | 0 | 108.8 | ||||
| 144 | E | 51.2 | Low | 50 | Low | 144 Ų | 144 | 147.9 Ų | 147.9 | 67% | 0.673 | 81% | 0.805 | S | S | * | * | trans | 44.1 | 106.5 | 137.3 | -63.6 | -167.2 | 167.8 | 0 | 0 | 121.6 | ||||
| 145 | K | 48.3 | Very low | 48.6 | Very low | 191 Ų | 191 | 149.7 Ų | 149.7 | 83% | 0.83 | 81% | 0.814 | S | S | * | * | 173.8 | 136.4 | 93.1 | -102.6 | 151.8 | -169.1 | 170.5 | 0 | 111.9 | |||||
| 146 | R | 43.6 | Very low | 47.7 | Very low | 226 Ų | 226 | 149 Ų | 149 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | trans | -70.1 | 146 | 179.5 | -58.2 | -176.4 | 173 | 178.9 | -2.4 | 111 | ||||
| 147 | I | 49.3 | Very low | 46.4 | Very low | 170 Ų | 170 | 147 Ų | 147 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | -160.1 | 108.1 | 129 | -83.8 | 134.2 | 0 | 0 | 0 | 105.9 | |||||
| 148 | D | 40.9 | Very low | 45.9 | Very low | 143 Ų | 143 | 146 Ų | 146 | 77% | 0.765 | 82% | 0.818 | S | S | * | * | trans | -66.9 | 141.8 | 160.9 | -72 | -58.1 | 0 | 0 | 0 | 109.3 | ||||
| 149 | V | 44.9 | Very low | 45.3 | Very low | 140 Ų | 140 | 147.8 Ų | 147.8 | 85% | 0.848 | 82% | 0.821 | S | S | * | * | -160.7 | 114.1 | 125.6 | 173 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 150 | S | 43.1 | Very low | 45.3 | Very low | 113 Ų | 113 | 146.5 Ų | 146.5 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | trans | -70.1 | 145.3 | 162.6 | -73.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 151 | S | 52.3 | Low | 44.7 | Very low | 107 Ų | 107 | 145.6 Ų | 145.6 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | -171.3 | 137.5 | 127.7 | 46.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 152 | N | 39.7 | Very low | 44.4 | Very low | 163 Ų | 163 | 148.9 Ų | 148.9 | 87% | 0.872 | 83% | 0.825 | S | S | * | * | trans | -70.8 | 151.3 | 171.2 | -69.6 | -65.1 | 0 | 0 | 0 | 111.5 | ||||
| 153 | Y | 48.3 | Very low | 44.2 | Very low | 224 Ų | 224 | 149.1 Ų | 149.1 | 88% | 0.878 | 83% | 0.825 | S | S | * | * | trans | -144 | 138.1 | 140.3 | 45.6 | -89.2 | 0 | 0 | 0 | 111.6 | ||||
| 154 | K | 45.4 | Very low | 43.8 | Very low | 199 Ų | 199 | 149.2 Ų | 149.2 | 87% | 0.865 | 83% | 0.83 | S | S | * | * | trans | -78.3 | 152.6 | -174.6 | -90.6 | 169.5 | 165.1 | 175.3 | 0 | 112.5 | ||||
| 155 | A | 37.3 | Very low | 43.4 | Very low | 98 Ų | 98 | 146.8 Ų | 146.8 | 81% | 0.81 | 83% | 0.834 | S | S | * | * | trans | 23.9 | 129.1 | 136.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 156 | A | 46.6 | Very low | 43.3 | Very low | 105 Ų | 105 | 143 Ų | 143 | 87% | 0.868 | 83% | 0.832 | S | S | * | * | trans | -148.6 | 123.5 | 138.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 157 | T | 35.6 | Very low | 43.4 | Very low | 123 Ų | 123 | 140.8 Ų | 140.8 | 76% | 0.755 | 83% | 0.831 | S | S | * | * | trans | -68.8 | 140.3 | 166.9 | -54.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 158 | C | 45.1 | Very low | 43.1 | Very low | 131 Ų | 131 | 139 Ų | 139 | 89% | 0.885 | 83% | 0.829 | S | S | * | * | trans | -150.7 | 134.6 | 152.7 | -100.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 159 | E | 41.2 | Very low | 43.2 | Very low | 192 Ų | 192 | 140.3 Ų | 140.3 | 90% | 0.897 | 84% | 0.835 | S | S | * | * | trans | -81.1 | 156.3 | 179.7 | -49.3 | -144.5 | 150.6 | 0 | 0 | 111 | ||||
| 160 | G | 45.8 | Very low | 43.4 | Very low | 77 Ų | 77 | 144.9 Ų | 144.9 | 79% | 0.794 | 84% | 0.837 | S | S | * | * | trans | 173.2 | 96.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 161 | N | 38.4 | Very low | 43.8 | Very low | 170 Ų | 170 | 145.4 Ų | 145.4 | 91% | 0.909 | 84% | 0.835 | S | S | * | * | trans | -61.1 | 131.5 | 165.9 | -73.3 | -30.4 | 0 | 0 | 0 | 110 | ||||
| 162 | C | 40.1 | Very low | 43.8 | Very low | 135 Ų | 135 | 150.7 Ų | 150.7 | 91% | 0.912 | 85% | 0.845 | S | S | * | * | trans | -160.1 | 141.2 | 149.1 | -100.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 163 | T | 41.7 | Very low | 44.2 | Very low | 123 Ų | 123 | 154.7 Ų | 154.7 | 76% | 0.755 | 85% | 0.848 | S | S | * | * | trans | -77.1 | 157.9 | -172.5 | 39.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 164 | D | 41.9 | Very low | 44.2 | Very low | 160 Ų | 160 | 153.8 Ų | 153.8 | 86% | 0.856 | 85% | 0.848 | S | S | * | * | trans | 75.3 | 148.5 | 156.3 | -66.8 | -33.6 | 0 | 0 | 0 | 121 | ||||
| 165 | A | 42.1 | Very low | 44.5 | Very low | 92 Ų | 92 | 153.1 Ų | 153.1 | 76% | 0.76 | 85% | 0.848 | S | S | * | * | trans | 83.9 | 82.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 166 | S | 45.4 | Very low | 45.3 | Very low | 111 Ų | 111 | 157.9 Ų | 157.9 | 78% | 0.776 | 85% | 0.854 | S | S | * | * | 29.8 | 125.6 | 118.5 | -46.4 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 167 | E | 47.4 | Very low | 45.4 | Very low | 180 Ų | 180 | 160.9 Ų | 160.9 | 84% | 0.841 | 85% | 0.854 | S | S | * | * | trans | 78.9 | 96.3 | 131.9 | -158.3 | 168.2 | -156.3 | 0 | 0 | 117.4 | ||||
| 168 | T | 42.3 | Very low | 45.8 | Very low | 133 Ų | 133 | 162.9 Ų | 162.9 | 82% | 0.816 | 86% | 0.86 | S | S | * | * | trans | -173.1 | 127 | 133 | 22.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 169 | L | 41.7 | Very low | 45.8 | Very low | 170 Ų | 170 | 165 Ų | 165 | 89% | 0.89 | 86% | 0.862 | S | S | * | * | trans | 157.9 | 86.7 | 149.2 | -84.8 | 164.5 | 0 | 0 | 0 | 110.2 | ||||
| 170 | R | 50.7 | Low | 46.1 | Very low | 236 Ų | 236 | 163.8 Ų | 163.8 | 89% | 0.891 | 86% | 0.861 | S | S | * | * | trans | 178.5 | 121.2 | 161.5 | -97.2 | 158.6 | -167.4 | -151.8 | 6.1 | 102.8 | ||||
| 171 | T | 51.3 | Low | 46 | Very low | 124 Ų | 124 | 168.1 Ų | 168.1 | 76% | 0.761 | 87% | 0.865 | S | S | * | * | cis | 177.6 | 129.1 | 43.9 | 27.8 | 0 | 0 | 0 | 0 | 107.8 | R173 | T171-R173 PolarHBondContact O-N 3.22Š| ||
| 172 | K | 52.3 | Low | 46.2 | Very low | 218 Ų | 218 | 167.6 Ų | 167.6 | 95% | 0.948 | 86% | 0.862 | S | S | * | * | S | Bend | trans | -86.6 | 85.3 | 163.5 | -75.8 | -175.5 | 175.6 | -179.8 | 0 | 109.7 | ||
| 173 | R | 46.7 | Very low | 46.7 | Very low | 247 Ų | 247 | 167.6 Ų | 167.6 | 93% | 0.932 | 85% | 0.853 | S | S | * | * | trans | -170.8 | 47 | 161.6 | -139.6 | 176.3 | -178.2 | 136.7 | -0.3 | 115.1 | T171 | T171-R173 PolarHBondContact O-N 3.22Š| ||
| 174 | K | 48.9 | Very low | 47.4 | Very low | 205 Ų | 205 | 170.9 Ų | 170.9 | 89% | 0.891 | 86% | 0.857 | S | S | * | * | trans | -142.5 | 74 | 177.7 | -156.3 | 178 | -177 | -175.5 | 0 | 112.3 | ||||
| 175 | Q | 51.2 | Low | 47.5 | Very low | 186 Ų | 186 | 170.4 Ų | 170.4 | 87% | 0.869 | 85% | 0.854 | S | S | * | * | trans | -147.5 | 97.4 | 163.4 | -77.5 | -177.7 | -17.3 | 0 | 0 | 105.6 | ||||
| 176 | Q | 54 | Low | 48 | Very low | 198 Ų | 198 | 174.1 Ų | 174.1 | 93% | 0.925 | 86% | 0.861 | S | S | * | * | S | Bend | trans | 175.1 | 17.9 | 159.4 | -103.1 | 176.2 | 17.3 | 0 | 0 | 116.2 | ||
| 177 | L | 49.9 | Very low | 47.9 | Very low | 167 Ų | 167 | 175.2 Ų | 175.2 | 87% | 0.874 | 86% | 0.858 | S | S | * | * | trans | -145.9 | 68 | 179.6 | -154.5 | 96.6 | 0 | 0 | 0 | 112.9 | ||||
| 178 | N | 43.7 | Very low | 48.1 | Very low | 165 Ų | 165 | 172.9 Ų | 172.9 | 88% | 0.882 | 86% | 0.856 | S | S | * | * | trans | -154.9 | 49.4 | 172.7 | -100.7 | 1.5 | 0 | 0 | 0 | 111.7 | ||||
| 179 | L | 45.9 | Very low | 48.1 | Very low | 177 Ų | 177 | 173.4 Ų | 173.4 | 93% | 0.927 | 85% | 0.854 | S | S | * | * | trans | -143.1 | 93.2 | 166.8 | -91.6 | 109.7 | 0 | 0 | 0 | 107.4 | ||||
| 180 | L | 45.9 | Very low | 48.6 | Very low | 166 Ų | 166 | 173.8 Ų | 173.8 | 87% | 0.869 | 85% | 0.851 | S | S | * | * | trans | 178.6 | 63.6 | 147.1 | -159 | 67.4 | 0 | 0 | 0 | 111.1 | ||||
| 181 | L | 45.3 | Very low | 48.4 | Very low | 167 Ų | 167 | 168.4 Ų | 168.4 | 87% | 0.874 | 84% | 0.844 | S | S | * | * | trans | -148.7 | 95.3 | 160.7 | -83.9 | 105.7 | 0 | 0 | 0 | 107.7 | ||||
| 182 | D | 41.8 | Very low | 48.1 | Very low | 160 Ų | 160 | 170.4 Ų | 170.4 | 86% | 0.856 | 85% | 0.848 | S | S | * | * | trans | -154.2 | 146.2 | 156.6 | -88.3 | -40.5 | 0 | 0 | 0 | 108.5 | ||||
| 183 | D | 50.4 | Low | 47.8 | Very low | 135 Ų | 135 | 164.3 Ų | 164.3 | 72% | 0.722 | 83% | 0.833 | S | S | * | * | trans | 78.3 | 100.4 | 172.4 | -60.5 | -33.5 | 0 | 0 | 0 | 118.4 | ||||
| 184 | K | 57.6 | Low | 47.7 | Very low | 191 Ų | 191 | 159.4 Ų | 159.4 | 83% | 0.83 | 83% | 0.826 | S | S | * | * | -176.1 | 119.8 | 88 | -80 | -56.4 | 173.1 | -167.6 | 0 | 111 | |||||
| 185 | N | 43.3 | Very low | 47.6 | Very low | 150 Ų | 150 | 155.5 Ų | 155.5 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | trans | -65.2 | 138.1 | 161.3 | -109.1 | -53.2 | 0 | 0 | 0 | 110.5 | ||||
| 186 | L | 52.2 | Low | 47.1 | Very low | 171 Ų | 171 | 151.9 Ų | 151.9 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | trans | -153.1 | 118.6 | 141.8 | -142.6 | 79.9 | 0 | 0 | 0 | 109.8 | ||||
| 187 | D | 42.8 | Very low | 46.2 | Very low | 134 Ų | 134 | 149.9 Ų | 149.9 | 72% | 0.717 | 81% | 0.809 | S | S | * | * | trans | -51.3 | 138.7 | 172.3 | -72.8 | -56.3 | 0 | 0 | 0 | 112.9 | ||||
| 188 | T | 52.8 | Low | 45.7 | Very low | 131 Ų | 131 | 146.2 Ų | 146.2 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -159.8 | 100.9 | 140 | -62.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 189 | D | 41.9 | Very low | 45.5 | Very low | 144 Ų | 144 | 144.9 Ų | 144.9 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | trans | -62.9 | 129 | 159.3 | -76.3 | -44.4 | 0 | 0 | 0 | 109.6 | ||||
| 190 | Q | 52.9 | Low | 44.9 | Very low | 177 Ų | 177 | 142.4 Ų | 142.4 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | trans | -174.6 | 116.9 | 139.1 | -103.2 | 172.6 | 86.1 | 0 | 0 | 113.1 | ||||
| 191 | V | 46.6 | Very low | 45 | Very low | 124 Ų | 124 | 143.5 Ų | 143.5 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | 77.2 | 107 | 142.1 | -166.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 192 | I | 43.8 | Very low | 44.8 | Very low | 165 Ų | 165 | 140.7 Ų | 140.7 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | -75.4 | 131.7 | 163.3 | -65 | 161 | 0 | 0 | 0 | 109.5 | ||||
| 193 | S | 47.3 | Very low | 44.8 | Very low | 91 Ų | 91 | 140.5 Ų | 140.5 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | trans | -169.2 | 115.9 | 141.5 | 23.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 194 | D | 43.6 | Very low | 44.5 | Very low | 144 Ų | 144 | 141.9 Ų | 141.9 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | 72.7 | 101.1 | 131.9 | -59.4 | -26.6 | 0 | 0 | 0 | 123.5 | ||||
| 195 | V | 47.9 | Very low | 44 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 75% | 0.745 | 77% | 0.765 | S | S | * | * | 70.8 | 95.3 | 125.5 | -159.5 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 196 | S | 40.7 | Very low | 44.2 | Very low | 110 Ų | 110 | 135.8 Ų | 135.8 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | trans | 74.7 | 66.3 | 139.1 | -49.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 197 | D | 34.9 | Very low | 44.1 | Very low | 155 Ų | 155 | 133.8 Ų | 133.8 | 83% | 0.829 | 75% | 0.745 | S | S | * | * | trans | -131.8 | 130.9 | 161.1 | -104.3 | -32.4 | 0 | 0 | 0 | 111.8 | ||||
| 198 | S | 37.6 | Very low | 44.2 | Very low | 90 Ų | 90 | 134.7 Ų | 134.7 | 63% | 0.629 | 75% | 0.749 | S | S | * | * | trans | 48.5 | 100.8 | 152.8 | 55.3 | 0 | 0 | 0 | 0 | 118.3 | N200 | S198-N200 PolarHBondContact O-N 3.43Š| ||
| 199 | C | 40.1 | Very low | 44.1 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 93% | 0.926 | 74% | 0.74 | S | S | * | * | trans | -67.6 | 76.4 | 154.9 | 47.7 | 0 | 0 | 0 | 0 | 110.5 | F201 | C199-F201 PolarHBondContact O-N 2.94Š| ||
| 200 | N | 33.8 | Very low | 44.7 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 67% | 0.674 | 73% | 0.73 | S | S | * | * | trans | -62.4 | 99.3 | 158.2 | -106.6 | -23.8 | 0 | 0 | 0 | 107.6 | S198 D202 | S198-N200 PolarHBondContact O-N 3.43Å; N200-D202 PolarHBondContact O-N 3.47Å | ||
| 201 | F | 46.9 | Very low | 45.2 | Very low | 188 Ų | 188 | 130 Ų | 130 | 83% | 0.825 | 72% | 0.721 | S | S | * | * | trans | -72.2 | 81.1 | 166.1 | -165 | -92.4 | 0 | 0 | 0 | 107.4 | C199 Q203 | C199-F201 PolarHBondContact O-N 2.94Å; F201-Q203 PolarHBondContact O-N 3.36Å | ||
| 202 | D | 42.4 | Very low | 46.4 | Very low | 108 Ų | 108 | 126.9 Ų | 126.9 | 58% | 0.578 | 70% | 0.699 | S | S | * | * | trans | -61.9 | 105.1 | 177.9 | -99.7 | -37.9 | 0 | 0 | 0 | 110.7 | N200 L204 | N200-D202 PolarHBondContact O-N 3.47Å; D202-L204 PolarHBondContact O-N 3.49Å | ||
| 203 | Q | 40.6 | Very low | 48.7 | Very low | 157 Ų | 157 | 120.4 Ų | 120.4 | 73% | 0.734 | 67% | 0.668 | S | S | * | * | 50.6 | 71.6 | 121 | -72.8 | 177.8 | 70.8 | 0 | 0 | 117 | F201 | F201-Q203 PolarHBondContact O-N 3.36Š| |||
| 204 | L | 44.5 | Very low | 51 | Low | 163 Ų | 163 | 117 Ų | 117 | 85% | 0.853 | 64% | 0.643 | S | S | * | * | trans | -125.4 | 55.2 | 141.9 | -69.8 | 177.3 | 0 | 0 | 0 | 110 | D202 P206 | D202-L204 PolarHBondContact O-N 3.49Å; L204-P206 WeakPolarHBondContact O-CD 3.46Å | ||
| 205 | H | 47.4 | Very low | 53.5 | Low | 147 Ų | 147 | 110.1 Ų | 110.1 | 68% | 0.681 | 61% | 0.606 | S | S | * | * | trans | -97.3 | 109.1 | 169 | -84.7 | -120.8 | 0 | 0 | 0 | 109.2 | ||||
| 206 | P | 48.2 | Very low | 55.8 | Low | 66 Ų | 66 | 107.1 Ų | 107.1 | 43% | 0.429 | 58% | 0.582 | S | S | . | * | trans | -58.8 | 137 | 170.2 | 24.1 | -31.4 | 0 | 0 | 0 | 108.6 | L204 N208 R209 | L204-P206 WeakPolarHBondContact O-CD 3.46Å; P206-N208 PolarHBondContact O-N 3.14Å; P206-R209 HydrophobicContact CG-CG 4.25Å | ||
| 207 | P | 49.5 | Very low | 58.4 | Low | 130 Ų | 130 | 101.9 Ų | 101.9 | 84% | 0.844 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | 24.4 | -162.2 | 29.3 | -36.6 | 0 | 0 | 0 | 115 | ||
| 208 | N | 45.2 | Very low | 61.4 | Low | 153 Ų | 153 | 95 Ų | 95 | 82% | 0.818 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -151.7 | 24.5 | -173.1 | -105.4 | -44.8 | 0 | 0 | 0 | 114.8 | P206 P210 | P206-N208 PolarHBondContact O-N 3.14Å; N208-P210 WeakPolarHBondContact O-CD 3.49Å |
| 209 | R | 50 | Low | 64.1 | Low | 161 Ų | 161 | 92 Ų | 92 | 61% | 0.608 | 49% | 0.487 | S | S | * | . | trans | -76.1 | 125 | 166.5 | -72.4 | -171.9 | -164.5 | -161 | 7.5 | 108.7 | P206 T211 | P206-R209 HydrophobicContact CG-CG 4.25Å; R209-T211 PolarHBondContact O-N 3.47Å | ||
| 210 | P | 55.3 | Low | 66.7 | Low | 86 Ų | 86 | 89.2 Ų | 89.2 | 56% | 0.558 | 46% | 0.46 | S | S | * | . | trans | -51.7 | 116.6 | 171.5 | -21.2 | 30.5 | 0 | 0 | 0 | 107.9 | N208 H212 | N208-P210 WeakPolarHBondContact O-CD 3.49Å; P210-H212 PolarHBondContact O-CE1 2.92Å; P210-H212 PolarHBondContact O-N 3.31Å; P210-H212 PolarHBondContact O-ND1 3.32Å; P210-H212 VanDerWaalsContact O-ND1 3.09Å | ||
| 211 | T | 62.8 | Low | 69.6 | Low | 105 Ų | 105 | 87.9 Ų | 87.9 | 64% | 0.644 | 45% | 0.453 | S | S | * | . | trans | -54.2 | 107.9 | -176.8 | 44 | 0 | 0 | 0 | 0 | 108.1 | R209 S213 | R209-T211 PolarHBondContact O-N 3.47Å; T211-S213 PolarHBondContact O-N 3.26Å | ||
| 212 | H | 72.4 | Confident | 71.9 | Confident | 59 Ų | 59 | 79.2 Ų | 79.2 | 27% | 0.273 | 42% | 0.415 | S | S | . | . | trans | -70 | 98.7 | -170.5 | -60.7 | -50.5 | 0 | 0 | 0 | 108.4 | P210 T214 N256 Y279 | P210-H212 PolarHBondContact O-CE1 2.92Å; P210-H212 PolarHBondContact O-N 3.31Å; P210-H212 PolarHBondContact O-ND1 3.32Å; P210-H212 VanDerWaalsContact O-ND1 3.09Å; H212-T214 VanDerWaalsContact C-N 3.27Å; H212-N256 PolarHBondContact O-ND2 3Å; H212-N256 VanDerWaalsContact O-ND2 3.14Å; H212-Y279 HydrophobicContact CB-CD1 3.72Å; H212-Y279 HydrophobicContact CB-CE1 4.26Å; H212-Y279 HydrophobicContact CB-CG 4.46Å; H212-Y279 WeakPolarHBondContact O-CE1 3.19Å | ||
| 213 | S | 91.8 | Very high | 74.4 | Confident | 29 Ų | 29 | 77.4 Ų | 77.4 | 20% | 0.203 | 41% | 0.408 | C | S | . | . | trans | -86.2 | -4.4 | 169.8 | 63.3 | 0 | 0 | 0 | 0 | 112 | T211 M253 | T211-S213 PolarHBondContact O-N 3.26Å; S213-M253 WeakPolarHBondContact CB-O 3.45Å; S213-M253 PolarHBondContact O-N 2.9Å | ||
| 214 | T | 94.8 | Very high | 77 | Confident | 19 Ų | 19 | 74.9 Ų | 74.9 | 12% | 0.117 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 123.6 | -178.5 | -53.6 | 0 | 0 | 0 | 0 | 111.6 | H212 V251 T252 A280 F284 | H212-T214 VanDerWaalsContact C-N 3.27Å; T214-V251 CarbonylContact C-O 3.3Å; T214-V251 VanDerWaalsContact CA-O 3.3Å; T214-V251 WeakPolarHBondContact CA-O 3.4Å; T214-T252 PolarHBondContact OG1-OG1 3.31Å; T214-A280 HydrophobicContact CG2-CB 3.88Å; T214-A280 VanDerWaalsContact O-CB 3.3Å; T214-A280 WeakPolarHBondContact O-CB 3.48Å; T214-A280 PolarHBondContact O-N 2.9Å; T214-F284 HydrophobicContact CG2-CD2 4.4Å |
| 215 | L | 96 | Very high | 79.5 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 143.7 | 178.7 | -58.6 | 173.6 | 0 | 0 | 0 | 110.1 | F231 Y250 V251 M253 A259 A262 L263 V277 S278 Y279 | L215-F231 HydrophobicContact CD1-CD1 4.41Å; L215-F231 HydrophobicContact CD1-CE1 3.79Å; L215-Y250 CarbonylContact O-C 3.53Å; L215-Y250 VanDerWaalsContact O-CA 3.27Å; L215-Y250 WeakPolarHBondContact O-CA 3.12Å; L215-V251 PolarHBondContact N-O 2.99Å; L215-V251 PolarHBondContact O-N 2.92Å; L215-M253 HydrophobicContact CD1-CG 4.19Å; L215-A259 HydrophobicContact CD1-CB 4.46Å; L215-A259 HydrophobicContact CD2-CB 4.25Å; L215-A259 HydrophobicContact CG-CB 4.36Å; L215-A262 HydrophobicContact CD1-CB 3.67Å; L215-L263 HydrophobicContact CD2-CD1 4.27Å; L215-V277 HydrophobicContact CB-CG1 4.33Å; L215-V277 HydrophobicContact CD1-CG1 4.14Å; L215-V277 HydrophobicContact CD2-CG1 4.5Å; L215-S278 CarbonylContact C-O 3.52Å; L215-S278 WeakPolarHBondContact CA-O 3.37Å; L215-Y279 HydrophobicContact CD2-CD1 3.97Å; L215-Y279 HydrophobicContact CD2-CE1 4.09Å |
| 216 | Y | 96.4 | Very high | 81.8 | Confident | 60 Ų | 60 | 66 Ų | 66 | 24% | 0.235 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 127.2 | 162.4 | 171 | -90 | 0 | 0 | 0 | 108.5 | H248 Y250 V277 S278 | Y216-H248 HydrophobicContact CD2-CB 4.4Å; Y216-H248 HydrophobicContact CE2-CB 3.5Å; Y216-H248 VanDerWaalsContact CE2-CB 3.5Å; Y216-H248 AromaticContact CE2-CD2 3.86Å; Y216-H248 AromaticContact CE2-CG 3.92Å; Y216-Y250 HydrophobicContact CD2-CD1 4.27Å; Y216-Y250 AromaticContact CD2-CE1 3.69Å; Y216-Y250 HydrophobicContact CD2-CE1 3.69Å; Y216-Y250 AromaticContact CD2-CZ 3.94Å; Y216-Y250 HydrophobicContact CG-CE1 4.44Å; Y216-V277 WeakPolarHBondContact O-CA 3.43Å; Y216-S278 PolarHBondContact N-O 3.22Å; Y216-S278 PolarHBondContact O-N 2.92Å |
| 217 | V | 96.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 114.2 | 178.1 | -174.8 | 0 | 0 | 0 | 0 | 108.2 | I222 I227 F231 H248 A249 V251 L275 R276 | V217-I222 HydrophobicContact CG1-CD1 4.5Å; V217-I227 HydrophobicContact CB-CD1 4.33Å; V217-I227 HydrophobicContact CG1-CD1 3.84Å; V217-F231 HydrophobicContact CG1-CE2 4.26Å; V217-F231 HydrophobicContact CG1-CZ 4.39Å; V217-F231 HydrophobicContact CG2-CE1 4.36Å; V217-F231 HydrophobicContact CG2-CE2 3.84Å; V217-F231 HydrophobicContact CG2-CZ 3.45Å; V217-F231 VanDerWaalsContact CG2-CZ 3.45Å; V217-H248 CarbonylContact O-C 3.46Å; V217-H248 WeakPolarHBondContact O-CA 3.37Å; V217-A249 PolarHBondContact N-O 3.05Å; V217-A249 PolarHBondContact O-N 3.04Å; V217-V251 HydrophobicContact CG2-CB 4.43Å; V217-V251 HydrophobicContact CG2-CG2 3.66Å; V217-L275 HydrophobicContact CG1-CD1 3.52Å; V217-L275 HydrophobicContact CG1-CG 4.35Å; V217-R276 CarbonylContact C-O 3.51Å; V217-R276 VanDerWaalsContact CA-O 3.32Å; V217-R276 WeakPolarHBondContact CA-O 3.33Å |
| 218 | G | 96.2 | Very high | 86.3 | Confident | 11 Ų | 11 | 60.4 Ų | 60.4 | 11% | 0.113 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 118.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | R276 | G218-R276 PolarHBondContact N-O 3.19Å; G218-R276 PolarHBondContact O-N 3.08Å |
| 219 | Y | 96.2 | Very high | 88.7 | Confident | 28 Ų | 28 | 58.5 Ų | 58.5 | 11% | 0.11 | 30% | 0.303 | C | S | . | . | trans | -165.4 | 154.8 | 179.9 | -168.3 | -99.7 | 0 | 0 | 0 | 109.4 | I222 F226 N247 V270 S271 R273 L275 | Y219-I222 HydrophobicContact CD1-CG1 4.12Å; Y219-I222 HydrophobicContact CG-CG1 4.38Å; Y219-I222 WeakPolarHBondContact O-CD1 3.46Å; Y219-I222 WeakPolarHBondContact O-CG1 3.26Å; Y219-F226 AromaticContact CD1-CE1 3.71Å; Y219-F226 HydrophobicContact CD1-CE1 3.71Å; Y219-F226 AromaticContact CD1-CZ 3.91Å; Y219-F226 HydrophobicContact CD1-CZ 3.91Å; Y219-F226 AromaticContact CE1-CE1 3.99Å; Y219-F226 HydrophobicContact CE1-CE1 3.99Å; Y219-F226 HydrophobicContact CE1-CE2 4.36Å; Y219-F226 AromaticContact CE1-CZ 3.72Å; Y219-F226 HydrophobicContact CE1-CZ 3.72Å; Y219-F226 HydrophobicContact CE2-CZ 4.5Å; Y219-F226 HydrophobicContact CG-CE1 4.18Å; Y219-F226 HydrophobicContact CG-CZ 4.38Å; Y219-N247 PolarHBondContact N-O 2.96Å; Y219-N247 VanDerWaalsContact N-O 3.15Å; Y219-N247 CarbonylContact O-C 3.01Å; Y219-N247 WeakPolarHBondContact O-CA 3.35Å; Y219-V270 HydrophobicContact CE2-CB 4.33Å; Y219-V270 PolarHBondContact OH-O 2.99Å; Y219-S271 WeakPolarHBondContact OH-CB 3.35Å; Y219-R273 HydrophobicContact CD2-CB 4.49Å; Y219-R273 HydrophobicContact CE2-CB 3.67Å; Y219-L275 HydrophobicContact CD2-CD1 3.9Å; Y219-L275 HydrophobicContact CG-CD1 4.07Å | ||
| 220 | H | 94.4 | Very high | 90.9 | Very high | 78 Ų | 78 | 52 Ų | 52 | 36% | 0.361 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 139 | -176.3 | -175.2 | 59.9 | 0 | 0 | 0 | 112 | I222 N247 R273 | H220-I222 VanDerWaalsContact C-N 3.32Å; H220-I222 PolarHBondContact O-N 3.18Å; H220-N247 PolarHBondContact ND1-OD1 3.38Å; H220-R273 PolarHBondContact CD2-NH1 3.03Å |
| 221 | N | 93.3 | Very high | 92.9 | Very high | 98 Ų | 98 | 48 Ų | 48 | 52% | 0.524 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 48.3 | 179.7 | -61.1 | -24.6 | 0 | 0 | 0 | 113.1 | T223 S246 | N221-T223 PolarHBondContact O-N 3.17Å; N221-S246 PolarHBondContact N-O 3.17Å |
| 222 | I | 94.9 | Very high | 94.4 | Very high | 5 Ų | 5 | 50.4 Ų | 50.4 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | trans | -63.6 | 130.3 | 178.1 | -68 | 165.6 | 0 | 0 | 0 | 110 | V217 Y219 H220 I227 S246 A249 | V217-I222 HydrophobicContact CG1-CD1 4.5Å; Y219-I222 HydrophobicContact CD1-CG1 4.12Å; Y219-I222 HydrophobicContact CG-CG1 4.38Å; Y219-I222 WeakPolarHBondContact O-CD1 3.46Å; Y219-I222 WeakPolarHBondContact O-CG1 3.26Å; H220-I222 VanDerWaalsContact C-N 3.32Å; H220-I222 PolarHBondContact O-N 3.18Å; I222-I227 HydrophobicContact CG2-CD1 3.65Å; I222-I227 HydrophobicContact CG2-CG1 3.4Å; I222-I227 VanDerWaalsContact CG2-CG1 3.4Å; I222-S246 PolarHBondContact N-O 3.29Å; I222-A249 HydrophobicContact CD1-CB 4.14Å; I222-A249 HydrophobicContact CG2-CB 3.92Å | ||
| 223 | T | 95.8 | Very high | 95.6 | Very high | 70 Ų | 70 | 52.4 Ų | 52.4 | 43% | 0.429 | 28% | 0.275 | S | S | . | . | trans | -112 | 153.9 | 168.6 | 62 | 0 | 0 | 0 | 0 | 110 | N221 F226 I227 | N221-T223 PolarHBondContact O-N 3.17Å; T223-F226 PolarHBondContact O-N 2.82Å; T223-F226 VanDerWaalsContact OG1-CB 3.32Å; T223-F226 WeakPolarHBondContact OG1-CB 3.22Å; T223-F226 PolarHBondContact OG1-N 2.76Å; T223-I227 PolarHBondContact O-N 2.88Å | ||
| 224 | E | 95.4 | Very high | 95.8 | Very high | 104 Ų | 104 | 54.2 Ų | 54.2 | 49% | 0.486 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.2 | -45.1 | 175.7 | -168.5 | 169 | -167.8 | 0 | 0 | 113.7 | F226 I227 H228 I240 I242 | E224-F226 PolarHBondContact O-N 2.89Å; E224-I227 PolarHBondContact O-N 3.46Å; E224-H228 PolarHBondContact O-N 3.46Å; E224-I240 HydrophobicContact CG-CB 4.26Å; E224-I240 HydrophobicContact CG-CD1 3.75Å; E224-I240 HydrophobicContact CG-CG2 4.3Å; E224-I242 HydrophobicContact CB-CD1 4.22Å |
| 225 | P | 96.2 | Very high | 95.8 | Very high | 81 Ų | 81 | 54.1 Ų | 54.1 | 53% | 0.526 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 176.3 | 22.1 | -34.8 | 0 | 0 | 0 | 113 | I227 H228 D229 | P225-I227 VanDerWaalsContact C-N 3.32Å; P225-I227 PolarHBondContact O-N 3.13Å; P225-H228 WeakPolarHBondContact O-CB 3.45Å; P225-H228 PolarHBondContact O-N 2.91Å; P225-H228 VanDerWaalsContact O-N 3.11Å; P225-D229 PolarHBondContact O-N 2.82Å |
| 226 | F | 95.6 | Very high | 95.9 | Very high | 42 Ų | 42 | 58.5 Ų | 58.5 | 18% | 0.184 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.3 | -44.2 | 177.5 | 170 | -101.1 | 0 | 0 | 0 | 112.1 | Y219 T223 E224 H228 D229 V230 V270 | Y219-F226 AromaticContact CD1-CE1 3.71Å; Y219-F226 HydrophobicContact CD1-CE1 3.71Å; Y219-F226 AromaticContact CD1-CZ 3.91Å; Y219-F226 HydrophobicContact CD1-CZ 3.91Å; Y219-F226 AromaticContact CE1-CE1 3.99Å; Y219-F226 HydrophobicContact CE1-CE1 3.99Å; Y219-F226 HydrophobicContact CE1-CE2 4.36Å; Y219-F226 AromaticContact CE1-CZ 3.72Å; Y219-F226 HydrophobicContact CE1-CZ 3.72Å; Y219-F226 HydrophobicContact CE2-CZ 4.5Å; Y219-F226 HydrophobicContact CG-CE1 4.18Å; Y219-F226 HydrophobicContact CG-CZ 4.38Å; T223-F226 PolarHBondContact O-N 2.82Å; T223-F226 VanDerWaalsContact OG1-CB 3.32Å; T223-F226 WeakPolarHBondContact OG1-CB 3.22Å; T223-F226 PolarHBondContact OG1-N 2.76Å; E224-F226 PolarHBondContact O-N 2.89Å; F226-H228 VanDerWaalsContact C-N 3.34Å; F226-D229 PolarHBondContact O-N 3.35Å; F226-V230 HydrophobicContact CD2-CG2 4.19Å; F226-V230 HydrophobicContact CE1-CG2 4.33Å; F226-V230 HydrophobicContact CE2-CG2 3.81Å; F226-V230 HydrophobicContact CZ-CG2 3.9Å; F226-V230 VanDerWaalsContact O-CG2 3.3Å; F226-V230 WeakPolarHBondContact O-CG2 3.2Å; F226-V230 PolarHBondContact O-N 3.4Å; F226-V230 VanDerWaalsContact O-N 3.07Å; F226-V270 HydrophobicContact CE2-CG1 3.53Å; F226-V270 HydrophobicContact CZ-CB 4.44Å; F226-V270 HydrophobicContact CZ-CG1 3.63Å |
| 227 | I | 96.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 176.7 | -65 | -62.6 | 0 | 0 | 0 | 110.9 | V217 I222 T223 E224 P225 D229 F231 I240 A249 V251 | V217-I227 HydrophobicContact CB-CD1 4.33Å; V217-I227 HydrophobicContact CG1-CD1 3.84Å; I222-I227 HydrophobicContact CG2-CD1 3.65Å; I222-I227 HydrophobicContact CG2-CG1 3.4Å; I222-I227 VanDerWaalsContact CG2-CG1 3.4Å; T223-I227 PolarHBondContact O-N 2.88Å; E224-I227 PolarHBondContact O-N 3.46Å; P225-I227 VanDerWaalsContact C-N 3.32Å; P225-I227 PolarHBondContact O-N 3.13Å; I227-D229 PolarHBondContact O-N 3.34Å; I227-F231 HydrophobicContact CD1-CE2 4.28Å; I227-F231 HydrophobicContact CG2-CD2 3.94Å; I227-F231 HydrophobicContact CG2-CE2 4.4Å; I227-F231 WeakPolarHBondContact O-CB 3.36Å; I227-F231 VanDerWaalsContact O-CD2 3.29Å; I227-F231 WeakPolarHBondContact O-CD2 3.33Å; I227-F231 PolarHBondContact O-N 3.16Å; I227-I240 HydrophobicContact CB-CD1 4.03Å; I227-I240 HydrophobicContact CG2-CD1 3.69Å; I227-I240 HydrophobicContact CG2-CG1 3.99Å; I227-I240 HydrophobicContact CG2-CG2 4.36Å; I227-A249 HydrophobicContact CD1-CB 4.46Å; I227-A249 HydrophobicContact CG1-CB 4.44Å; I227-V251 HydrophobicContact CG2-CB 4.48Å; I227-V251 HydrophobicContact CG2-CG1 4.17Å; I227-V251 HydrophobicContact CG2-CG2 3.46Å; I227-V251 VanDerWaalsContact CG2-CG2 3.46Å |
| 228 | H | 96.5 | Very high | 95.8 | Very high | 80 Ų | 80 | 61.1 Ų | 61.1 | 37% | 0.37 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.8 | -48.6 | 175.4 | -99.8 | -71.9 | 0 | 0 | 0 | 111.7 | E224 P225 F226 V230 F231 K232 I240 | E224-H228 PolarHBondContact O-N 3.46Å; P225-H228 WeakPolarHBondContact O-CB 3.45Å; P225-H228 PolarHBondContact O-N 2.91Å; P225-H228 VanDerWaalsContact O-N 3.11Å; F226-H228 VanDerWaalsContact C-N 3.34Å; H228-V230 PolarHBondContact O-N 3.19Å; H228-F231 PolarHBondContact O-N 3.23Å; H228-K232 WeakPolarHBondContact O-CB 3.4Å; H228-K232 PolarHBondContact O-N 3.36Å; H228-I240 WeakPolarHBondContact CD2-CD1 3.38Å; H228-I240 WeakPolarHBondContact NE2-CD1 3.44Å |
| 229 | D | 95.7 | Very high | 95.7 | Very high | 113 Ų | 113 | 65.2 Ų | 65.2 | 60% | 0.604 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.3 | -42.4 | -177.2 | -68.2 | -24.4 | 0 | 0 | 0 | 112.4 | P225 F226 I227 | P225-D229 PolarHBondContact O-N 2.82Å; F226-D229 PolarHBondContact O-N 3.35Å; I227-D229 PolarHBondContact O-N 3.34Å |
| 230 | V | 95.8 | Very high | 95.7 | Very high | 25 Ų | 25 | 65 Ų | 65 | 15% | 0.152 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -69.9 | -39 | -179.7 | 172.9 | 0 | 0 | 0 | 0 | 112.2 | F226 H228 P233 L265 L275 | F226-V230 HydrophobicContact CD2-CG2 4.19Å; F226-V230 HydrophobicContact CE1-CG2 4.33Å; F226-V230 HydrophobicContact CE2-CG2 3.81Å; F226-V230 HydrophobicContact CZ-CG2 3.9Å; F226-V230 VanDerWaalsContact O-CG2 3.3Å; F226-V230 WeakPolarHBondContact O-CG2 3.2Å; F226-V230 PolarHBondContact O-N 3.4Å; F226-V230 VanDerWaalsContact O-N 3.07Å; H228-V230 PolarHBondContact O-N 3.19Å; V230-P233 WeakPolarHBondContact O-CD 3.46Å; V230-L265 HydrophobicContact CG1-CD1 3.88Å; V230-L275 HydrophobicContact CG1-CD2 3.95Å |
| 231 | F | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -92.6 | -16.3 | -174.5 | -75.3 | -97.6 | 0 | 0 | 0 | 114.3 | L215 V217 I227 H228 P233 Y234 G235 V237 V251 M253 A262 L265 V277 | L215-F231 HydrophobicContact CD1-CD1 4.41Å; L215-F231 HydrophobicContact CD1-CE1 3.79Å; V217-F231 HydrophobicContact CG1-CE2 4.26Å; V217-F231 HydrophobicContact CG1-CZ 4.39Å; V217-F231 HydrophobicContact CG2-CE1 4.36Å; V217-F231 HydrophobicContact CG2-CE2 3.84Å; V217-F231 HydrophobicContact CG2-CZ 3.45Å; V217-F231 VanDerWaalsContact CG2-CZ 3.45Å; I227-F231 HydrophobicContact CD1-CE2 4.28Å; I227-F231 HydrophobicContact CG2-CD2 3.94Å; I227-F231 HydrophobicContact CG2-CE2 4.4Å; I227-F231 WeakPolarHBondContact O-CB 3.36Å; I227-F231 VanDerWaalsContact O-CD2 3.29Å; I227-F231 WeakPolarHBondContact O-CD2 3.33Å; I227-F231 PolarHBondContact O-N 3.16Å; H228-F231 PolarHBondContact O-N 3.23Å; F231-P233 VanDerWaalsContact C-CD 3.48Å; F231-Y234 PolarHBondContact O-N 3.02Å; F231-G235 PolarHBondContact O-N 3.15Å; F231-V237 HydrophobicContact CB-CG2 3.84Å; F231-V251 HydrophobicContact CD1-CG1 4.49Å; F231-M253 HydrophobicContact CD1-SD 4.23Å; F231-A262 HydrophobicContact CD1-CB 3.78Å; F231-A262 HydrophobicContact CE1-CB 3.83Å; F231-L265 HydrophobicContact CD1-CD1 4.15Å; F231-L265 HydrophobicContact CE1-CD1 3.95Å; F231-L265 HydrophobicContact CE2-CD1 4.41Å; F231-L265 HydrophobicContact CG-CD1 4.46Å; F231-L265 HydrophobicContact CZ-CD1 4.08Å; F231-V277 HydrophobicContact CE1-CG1 4.42Å; F231-V277 HydrophobicContact CZ-CG1 4.35Å; F231-V277 HydrophobicContact CZ-CG2 4.15Å |
| 232 | K | 96 | Very high | 95.8 | Very high | 157 Ų | 157 | 64.8 Ų | 64.8 | 68% | 0.683 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -48.3 | -45 | 176.8 | -178.5 | 176.8 | -176 | -178.1 | 0 | 114.7 | H228 Y234 G235 | H228-K232 WeakPolarHBondContact O-CB 3.4Å; H228-K232 PolarHBondContact O-N 3.36Å; K232-Y234 PolarHBondContact O-N 3.05Å; K232-G235 PolarHBondContact O-N 3.32Å |
| 233 | P | 96.3 | Very high | 95.7 | Very high | 100 Ų | 100 | 65.2 Ų | 65.2 | 65% | 0.649 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -68.9 | -17 | 179 | 23.1 | -31.4 | 0 | 0 | 0 | 114.2 | V230 F231 | V230-P233 WeakPolarHBondContact O-CD 3.46Å; F231-P233 VanDerWaalsContact C-CD 3.48Å |
| 234 | Y | 96.4 | Very high | 95.3 | Very high | 68 Ų | 68 | 69.5 Ų | 69.5 | 27% | 0.267 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -98.8 | -11.6 | -177.6 | -58.3 | -85.9 | 0 | 0 | 0 | 113.3 | F231 K232 M258 S261 A262 L265 | F231-Y234 PolarHBondContact O-N 3.02Å; K232-Y234 PolarHBondContact O-N 3.05Å; Y234-M258 WeakPolarHBondContact O-CB 3.2Å; Y234-M258 WeakPolarHBondContact O-CG 3.36Å; Y234-S261 WeakPolarHBondContact CD1-O 3.41Å; Y234-A262 HydrophobicContact CG-CB 4.24Å; Y234-L265 HydrophobicContact CD2-CD1 3.66Å; Y234-L265 HydrophobicContact CD2-CD2 4.31Å; Y234-L265 HydrophobicContact CD2-CG 4.07Å; Y234-L265 HydrophobicContact CE1-CD2 4.4Å; Y234-L265 HydrophobicContact CE1-CG 4.28Å; Y234-L265 HydrophobicContact CE2-CD1 3.57Å; Y234-L265 HydrophobicContact CE2-CD2 3.37Å; Y234-L265 HydrophobicContact CE2-CG 3.57Å; Y234-L265 HydrophobicContact CG-CD1 4.4Å; Y234-L265 VanDerWaalsContact CZ-CD2 3.41Å; Y234-L265 WeakPolarHBondContact OH-CD2 3.45Å |
| 235 | G | 95.5 | Very high | 95 | Very high | 17 Ų | 17 | 68.1 Ų | 68.1 | 18% | 0.175 | 36% | 0.361 | C | S | . | . | trans | 154.9 | -175.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | F231 K232 M258 | F231-G235 PolarHBondContact O-N 3.15Å; K232-G235 PolarHBondContact O-N 3.32Å; G235-M258 VanDerWaalsContact CA-SD 3.57Å | ||
| 236 | T | 96.6 | Very high | 94.7 | Very high | 91 Ų | 91 | 66.4 Ų | 66.4 | 56% | 0.558 | 35% | 0.351 | S | S | * | . | trans | -82.7 | 122.6 | 176.1 | -55.1 | 0 | 0 | 0 | 0 | 110.5 | A254 M258 | T236-A254 PolarHBondContact O-N 3.45Å; T236-M258 PolarHBondContact N-SD 2.97Å; T236-M258 VanDerWaalsContact N-SD 3.44Å | ||
| 237 | V | 96.5 | Very high | 94.6 | Very high | 18 Ų | 18 | 67.7 Ų | 67.7 | 11% | 0.109 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 119 | 173.8 | -178.6 | 0 | 0 | 0 | 0 | 109 | F231 I240 V251 M253 | F231-V237 HydrophobicContact CB-CG2 3.84Å; V237-I240 HydrophobicContact CG1-CD1 3.94Å; V237-I240 HydrophobicContact CG1-CG1 3.52Å; V237-V251 HydrophobicContact CG1-CG1 3.7Å; V237-V251 HydrophobicContact CG2-CG1 4.13Å; V237-M253 HydrophobicContact CG2-CE 4.48Å; V237-M253 HydrophobicContact CG2-SD 4.13Å |
| 238 | V | 95.4 | Very high | 94.6 | Very high | 98 Ų | 98 | 69.7 Ų | 69.7 | 59% | 0.594 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84 | -37.9 | 179.7 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | T252 A254 | V238-T252 WeakPolarHBondContact CB-O 3.38Å; V238-T252 PolarHBondContact N-O 3.02Å; V238-A254 VanDerWaalsContact CG2-CA 3.48Å; V238-A254 HydrophobicContact CG2-CB 3.85Å |
| 239 | R | 94.2 | Very high | 94.6 | Very high | 97 Ų | 97 | 65.9 Ų | 65.9 | 37% | 0.366 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 137.1 | -174.4 | -169.8 | -177.2 | -170 | 155.4 | 18 | 111.6 | T252 | R239-T252 PolarHBondContact N-O 3.06Å; R239-T252 PolarHBondContact O-N 3.37Å |
| 240 | I | 96.1 | Very high | 94.6 | Very high | 22 Ų | 22 | 63.2 Ų | 63.2 | 11% | 0.113 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 136.3 | 169.8 | -58.8 | 169.7 | 0 | 0 | 0 | 108.4 | E224 I227 H228 V237 I242 | E224-I240 HydrophobicContact CG-CB 4.26Å; E224-I240 HydrophobicContact CG-CD1 3.75Å; E224-I240 HydrophobicContact CG-CG2 4.3Å; I227-I240 HydrophobicContact CB-CD1 4.03Å; I227-I240 HydrophobicContact CG2-CD1 3.69Å; I227-I240 HydrophobicContact CG2-CG1 3.99Å; I227-I240 HydrophobicContact CG2-CG2 4.36Å; H228-I240 WeakPolarHBondContact CD2-CD1 3.38Å; H228-I240 WeakPolarHBondContact NE2-CD1 3.44Å; V237-I240 HydrophobicContact CG1-CD1 3.94Å; V237-I240 HydrophobicContact CG1-CG1 3.52Å; I240-I242 HydrophobicContact CG2-CG1 4.19Å |
| 241 | R | 94.6 | Very high | 94.6 | Very high | 99 Ų | 99 | 62 Ų | 62 | 37% | 0.374 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 110.4 | 170.2 | -73.5 | -171.9 | 169.4 | -157.5 | -3.9 | 109.1 | A249 Y250 | R241-A249 CarbonylContact O-C 3.49Å; R241-A249 VanDerWaalsContact O-CA 3.27Å; R241-A249 WeakPolarHBondContact O-CA 3.32Å; R241-Y250 PolarHBondContact N-O 3.31Å; R241-Y250 PolarHBondContact O-N 3.29Å |
| 242 | I | 95.8 | Very high | 94.5 | Very high | 73 Ų | 73 | 63.5 Ų | 63.5 | 37% | 0.374 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 129.8 | 176.3 | -56.3 | 173.5 | 0 | 0 | 0 | 108.3 | E224 I240 A249 | E224-I242 HydrophobicContact CB-CD1 4.22Å; I240-I242 HydrophobicContact CG2-CG1 4.19Å; I242-A249 HydrophobicContact CG1-CB 4.44Å |
| 243 | G | 91.4 | Very high | 94.5 | Very high | 14 Ų | 14 | 56.1 Ų | 56.1 | 14% | 0.144 | 30% | 0.303 | C | S | . | . | trans | -75 | 159.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | P245 S246 H248 | G243-P245 CarbonylContact C-O 3.1Å; G243-P245 VanDerWaalsContact C-O 3.3Å; G243-P245 CarbonylContact O-C 3.56Å; G243-S246 WeakPolarHBondContact O-CA 3.32Å; G243-S246 PolarHBondContact O-N 2.83Å; G243-H248 PolarHBondContact N-O 2.94Å | ||
| 244 | N | 89 | Confident | 94.4 | Very high | 161 Ų | 161 | 53.9 Ų | 53.9 | 86% | 0.861 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -111.4 | 120.8 | 169.9 | -167.1 | 8.2 | 0 | 0 | 0 | 108.3 | ||
| 245 | P | 87.9 | Confident | 94.4 | Very high | 74 Ų | 74 | 53.5 Ų | 53.5 | 48% | 0.481 | 30% | 0.298 | S | S | . | . | S | Bend | cis | -66.9 | 159.1 | -1.1 | 30.9 | -36.1 | 0 | 0 | 0 | 112.5 | G243 N247 H248 | G243-P245 CarbonylContact C-O 3.1Å; G243-P245 VanDerWaalsContact C-O 3.3Å; G243-P245 CarbonylContact O-C 3.56Å; P245-N247 PolarHBondContact O-N 3.47Å; P245-H248 PolarHBondContact O-ND1 3.48Å |
| 246 | S | 90 | Very high | 94.3 | Very high | 46 Ų | 46 | 54.7 Ų | 54.7 | 32% | 0.322 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 30.5 | -177.7 | 52.3 | 0 | 0 | 0 | 0 | 114.8 | N221 I222 G243 | N221-S246 PolarHBondContact N-O 3.17Å; I222-S246 PolarHBondContact N-O 3.29Å; G243-S246 WeakPolarHBondContact O-CA 3.32Å; G243-S246 PolarHBondContact O-N 2.83Å |
| 247 | N | 93.8 | Very high | 94.2 | Very high | 68 Ų | 68 | 57.3 Ų | 57.3 | 36% | 0.364 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -2.1 | 178.3 | -65.5 | -37.7 | 0 | 0 | 0 | 113 | Y219 H220 P245 | Y219-N247 PolarHBondContact N-O 2.96Å; Y219-N247 VanDerWaalsContact N-O 3.15Å; Y219-N247 CarbonylContact O-C 3.01Å; Y219-N247 WeakPolarHBondContact O-CA 3.35Å; H220-N247 PolarHBondContact ND1-OD1 3.38Å; P245-N247 PolarHBondContact O-N 3.47Å |
| 248 | H | 95.3 | Very high | 94.2 | Very high | 42 Ų | 42 | 59 Ų | 59 | 19% | 0.194 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 154.9 | 175.6 | 65.3 | -71.7 | 0 | 0 | 0 | 111.5 | Y216 V217 G243 P245 Y250 | Y216-H248 HydrophobicContact CD2-CB 4.4Å; Y216-H248 HydrophobicContact CE2-CB 3.5Å; Y216-H248 VanDerWaalsContact CE2-CB 3.5Å; Y216-H248 AromaticContact CE2-CD2 3.86Å; Y216-H248 AromaticContact CE2-CG 3.92Å; V217-H248 CarbonylContact O-C 3.46Å; V217-H248 WeakPolarHBondContact O-CA 3.37Å; G243-H248 PolarHBondContact N-O 2.94Å; P245-H248 PolarHBondContact O-ND1 3.48Å; H248-Y250 AromaticContact CD2-CE2 3.61Å; H248-Y250 AromaticContact NE2-CE2 3.93Å |
| 249 | A | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 157.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V217 I222 I227 R241 I242 | V217-A249 PolarHBondContact N-O 3.05Å; V217-A249 PolarHBondContact O-N 3.04Å; I222-A249 HydrophobicContact CD1-CB 4.14Å; I222-A249 HydrophobicContact CG2-CB 3.92Å; I227-A249 HydrophobicContact CD1-CB 4.46Å; I227-A249 HydrophobicContact CG1-CB 4.44Å; R241-A249 CarbonylContact O-C 3.49Å; R241-A249 VanDerWaalsContact O-CA 3.27Å; R241-A249 WeakPolarHBondContact O-CA 3.32Å; I242-A249 HydrophobicContact CG1-CB 4.44Å |
| 250 | Y | 95.9 | Very high | 94.2 | Very high | 58 Ų | 58 | 54.7 Ų | 54.7 | 23% | 0.227 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 124.2 | 170.9 | -62.9 | -83.7 | 0 | 0 | 0 | 109 | L215 Y216 R241 H248 A280 F284 | L215-Y250 CarbonylContact O-C 3.53Å; L215-Y250 VanDerWaalsContact O-CA 3.27Å; L215-Y250 WeakPolarHBondContact O-CA 3.12Å; Y216-Y250 HydrophobicContact CD2-CD1 4.27Å; Y216-Y250 AromaticContact CD2-CE1 3.69Å; Y216-Y250 HydrophobicContact CD2-CE1 3.69Å; Y216-Y250 AromaticContact CD2-CZ 3.94Å; Y216-Y250 HydrophobicContact CG-CE1 4.44Å; R241-Y250 PolarHBondContact N-O 3.31Å; R241-Y250 PolarHBondContact O-N 3.29Å; H248-Y250 AromaticContact CD2-CE2 3.61Å; H248-Y250 AromaticContact NE2-CE2 3.93Å; Y250-A280 HydrophobicContact CD1-CB 4.02Å; Y250-A280 HydrophobicContact CE1-CB 4.24Å; Y250-F284 AromaticContact CD1-CE2 3.41Å; Y250-F284 HydrophobicContact CD1-CE2 3.41Å; Y250-F284 VanDerWaalsContact CD1-CE2 3.41Å; Y250-F284 AromaticContact CD1-CZ 3.9Å; Y250-F284 HydrophobicContact CD1-CZ 3.9Å; Y250-F284 AromaticContact CD2-CE2 3.64Å; Y250-F284 HydrophobicContact CD2-CE2 3.64Å; Y250-F284 AromaticContact CD2-CZ 3.46Å; Y250-F284 HydrophobicContact CD2-CZ 3.46Å; Y250-F284 VanDerWaalsContact CD2-CZ 3.46Å; Y250-F284 AromaticContact CE1-CE2 3.8Å; Y250-F284 HydrophobicContact CE1-CE2 3.8Å; Y250-F284 AromaticContact CE1-CZ 3.9Å; Y250-F284 HydrophobicContact CE1-CZ 3.9Å; Y250-F284 HydrophobicContact CE2-CE2 4.05Å; Y250-F284 AromaticContact CE2-CZ 3.51Å; Y250-F284 HydrophobicContact CE2-CZ 3.51Å; Y250-F284 HydrophobicContact CG-CD2 4.42Å; Y250-F284 AromaticContact CG-CE2 3.27Å; Y250-F284 HydrophobicContact CG-CE2 3.27Å; Y250-F284 AromaticContact CG-CZ 3.64Å; Y250-F284 HydrophobicContact CG-CZ 3.64Å; Y250-F284 AromaticContact CZ-CZ 3.71Å |
| 251 | V | 96.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 114.9 | -172.6 | -173.7 | 0 | 0 | 0 | 0 | 108.2 | T214 L215 V217 I227 F231 V237 M253 | T214-V251 CarbonylContact C-O 3.3Å; T214-V251 VanDerWaalsContact CA-O 3.3Å; T214-V251 WeakPolarHBondContact CA-O 3.4Å; L215-V251 PolarHBondContact N-O 2.99Å; L215-V251 PolarHBondContact O-N 2.92Å; V217-V251 HydrophobicContact CG2-CB 4.43Å; V217-V251 HydrophobicContact CG2-CG2 3.66Å; I227-V251 HydrophobicContact CG2-CB 4.48Å; I227-V251 HydrophobicContact CG2-CG1 4.17Å; I227-V251 HydrophobicContact CG2-CG2 3.46Å; I227-V251 VanDerWaalsContact CG2-CG2 3.46Å; F231-V251 HydrophobicContact CD1-CG1 4.49Å; V237-V251 HydrophobicContact CG1-CG1 3.7Å; V237-V251 HydrophobicContact CG2-CG1 4.13Å; V251-M253 HydrophobicContact CG1-SD 3.96Å |
| 252 | T | 95.3 | Very high | 94.4 | Very high | 31 Ų | 31 | 51.2 Ų | 51.2 | 19% | 0.19 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 116.1 | 175.3 | -55.7 | 0 | 0 | 0 | 0 | 109 | T214 V238 R239 | T214-T252 PolarHBondContact OG1-OG1 3.31Å; V238-T252 WeakPolarHBondContact CB-O 3.38Å; V238-T252 PolarHBondContact N-O 3.02Å; R239-T252 PolarHBondContact N-O 3.06Å; R239-T252 PolarHBondContact O-N 3.37Å |
| 253 | M | 95.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 157.6 | 174.4 | -55.3 | -56.3 | -71.9 | 0 | 0 | 110.9 | S213 L215 F231 V237 V251 M258 A259 | S213-M253 WeakPolarHBondContact CB-O 3.45Å; S213-M253 PolarHBondContact O-N 2.9Å; L215-M253 HydrophobicContact CD1-CG 4.19Å; F231-M253 HydrophobicContact CD1-SD 4.23Å; V237-M253 HydrophobicContact CG2-CE 4.48Å; V237-M253 HydrophobicContact CG2-SD 4.13Å; V251-M253 HydrophobicContact CG1-SD 3.96Å; M253-M258 HydrophobicContact CB-CB 4.21Å; M253-M258 HydrophobicContact CE-CB 4.06Å; M253-A259 HydrophobicContact CB-CB 4.16Å; M253-A259 HydrophobicContact CG-CB 3.96Å |
| 254 | A | 94.9 | Very high | 94.6 | Very high | 52 Ų | 52 | 57.8 Ų | 57.8 | 43% | 0.43 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -65.5 | -39.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T236 V238 M258 | T236-A254 PolarHBondContact O-N 3.45Å; V238-A254 VanDerWaalsContact CG2-CA 3.48Å; V238-A254 HydrophobicContact CG2-CB 3.85Å; A254-M258 HydrophobicContact CB-SD 4.07Å |
| 255 | T | 95 | Very high | 94.9 | Very high | 60 Ų | 60 | 50.2 Ų | 50.2 | 37% | 0.368 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -128 | 158 | -179.9 | 69.4 | 0 | 0 | 0 | 0 | 111.5 | Q257 M258 A259 | T255-Q257 VanDerWaalsContact C-N 3.34Å; T255-M258 HydrophobicContact CG2-SD 4.47Å; T255-M258 PolarHBondContact O-N 3.49Å; T255-M258 WeakPolarHBondContact OG1-CB 3.34Å; T255-M258 WeakPolarHBondContact OG1-CG 3.46Å; T255-M258 PolarHBondContact OG1-N 3.5Å; T255-A259 PolarHBondContact O-N 2.88Å |
| 256 | N | 93.4 | Very high | 95.3 | Very high | 42 Ų | 42 | 49.2 Ų | 49.2 | 23% | 0.225 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.7 | -34.2 | 175.6 | -178.8 | -98.5 | 0 | 0 | 0 | 112.3 | H212 M258 A259 Q260 | H212-N256 PolarHBondContact O-ND2 3Å; H212-N256 VanDerWaalsContact O-ND2 3.14Å; N256-M258 VanDerWaalsContact C-N 3.35Å; N256-M258 PolarHBondContact O-N 3Å; N256-A259 WeakPolarHBondContact O-CB 3.43Å; N256-A259 PolarHBondContact O-N 3.3Å; N256-A259 VanDerWaalsContact O-N 3.14Å; N256-Q260 PolarHBondContact O-N 3.33Å |
| 257 | Q | 95.1 | Very high | 95.6 | Very high | 146 Ų | 146 | 53 Ų | 53 | 68% | 0.682 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -62.1 | -40.5 | 174.7 | -68.7 | -179.1 | -13.1 | 0 | 0 | 112.1 | T255 A259 Q260 S261 | T255-Q257 VanDerWaalsContact C-N 3.34Å; Q257-A259 VanDerWaalsContact C-N 3.33Å; Q257-A259 PolarHBondContact O-N 3.21Å; Q257-Q260 PolarHBondContact O-N 2.9Å; Q257-S261 PolarHBondContact O-N 3.46Å; Q257-S261 PolarHBondContact O-OG 2.79Å |
| 258 | M | 95.9 | Very high | 95.7 | Very high | 55 Ų | 55 | 54 Ų | 54 | 27% | 0.271 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 172.9 | -72.4 | 172.2 | -178.8 | 0 | 0 | 111.7 | Y234 G235 T236 M253 A254 T255 N256 S261 A262 | Y234-M258 WeakPolarHBondContact O-CB 3.2Å; Y234-M258 WeakPolarHBondContact O-CG 3.36Å; G235-M258 VanDerWaalsContact CA-SD 3.57Å; T236-M258 PolarHBondContact N-SD 2.97Å; T236-M258 VanDerWaalsContact N-SD 3.44Å; M253-M258 HydrophobicContact CB-CB 4.21Å; M253-M258 HydrophobicContact CE-CB 4.06Å; A254-M258 HydrophobicContact CB-SD 4.07Å; T255-M258 HydrophobicContact CG2-SD 4.47Å; T255-M258 PolarHBondContact O-N 3.49Å; T255-M258 WeakPolarHBondContact OG1-CB 3.34Å; T255-M258 WeakPolarHBondContact OG1-CG 3.46Å; T255-M258 PolarHBondContact OG1-N 3.5Å; N256-M258 VanDerWaalsContact C-N 3.35Å; N256-M258 PolarHBondContact O-N 3Å; M258-S261 PolarHBondContact O-N 3.44Å; M258-A262 WeakPolarHBondContact O-CB 3.45Å; M258-A262 PolarHBondContact O-N 3.46Å |
| 259 | A | 95.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.4 | -38.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | L215 M253 T255 N256 Q257 A262 L263 Y279 | L215-A259 HydrophobicContact CD1-CB 4.46Å; L215-A259 HydrophobicContact CD2-CB 4.25Å; L215-A259 HydrophobicContact CG-CB 4.36Å; M253-A259 HydrophobicContact CB-CB 4.16Å; M253-A259 HydrophobicContact CG-CB 3.96Å; T255-A259 PolarHBondContact O-N 2.88Å; N256-A259 WeakPolarHBondContact O-CB 3.43Å; N256-A259 PolarHBondContact O-N 3.3Å; N256-A259 VanDerWaalsContact O-N 3.14Å; Q257-A259 VanDerWaalsContact C-N 3.33Å; Q257-A259 PolarHBondContact O-N 3.21Å; A259-A262 PolarHBondContact O-N 2.94Å; A259-L263 PolarHBondContact O-N 3.43Å; A259-L263 VanDerWaalsContact O-N 3.08Å; A259-Y279 HydrophobicContact CB-CE1 4.49Å |
| 260 | Q | 95.4 | Very high | 95.4 | Very high | 103 Ų | 103 | 58.3 Ų | 58.3 | 48% | 0.481 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 173.7 | -75.2 | 176.9 | -16 | 0 | 0 | 111.9 | N256 Q257 A262 L263 Y279 | N256-Q260 PolarHBondContact O-N 3.33Å; Q257-Q260 PolarHBondContact O-N 2.9Å; Q260-A262 VanDerWaalsContact C-N 3.33Å; Q260-A262 PolarHBondContact O-N 2.89Å; Q260-L263 VanDerWaalsContact O-CB 3.26Å; Q260-L263 WeakPolarHBondContact O-CB 3.46Å; Q260-L263 PolarHBondContact O-N 2.85Å; Q260-Y279 WeakPolarHBondContact CG-OH 3.43Å |
| 261 | S | 96.5 | Very high | 95.2 | Very high | 48 Ų | 48 | 60 Ų | 60 | 34% | 0.336 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 175.7 | -68.7 | 0 | 0 | 0 | 0 | 112 | Y234 Q257 M258 L263 K264 | Y234-S261 WeakPolarHBondContact CD1-O 3.41Å; Q257-S261 PolarHBondContact O-N 3.46Å; Q257-S261 PolarHBondContact O-OG 2.79Å; M258-S261 PolarHBondContact O-N 3.44Å; S261-L263 PolarHBondContact O-N 3.31Å; S261-K264 VanDerWaalsContact O-CB 3.32Å; S261-K264 WeakPolarHBondContact O-CB 3.34Å; S261-K264 WeakPolarHBondContact O-CG 3.32Å; S261-K264 PolarHBondContact O-N 2.94Å |
| 262 | A | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.9 | -19.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L215 F231 Y234 M258 A259 Q260 K264 L265 | L215-A262 HydrophobicContact CD1-CB 3.67Å; F231-A262 HydrophobicContact CD1-CB 3.78Å; F231-A262 HydrophobicContact CE1-CB 3.83Å; Y234-A262 HydrophobicContact CG-CB 4.24Å; M258-A262 WeakPolarHBondContact O-CB 3.45Å; M258-A262 PolarHBondContact O-N 3.46Å; A259-A262 PolarHBondContact O-N 2.94Å; Q260-A262 VanDerWaalsContact C-N 3.33Å; Q260-A262 PolarHBondContact O-N 2.89Å; A262-K264 PolarHBondContact O-N 3.3Å; A262-L265 VanDerWaalsContact O-CB 3.22Å; A262-L265 WeakPolarHBondContact O-CB 3.45Å; A262-L265 WeakPolarHBondContact O-CG 3.42Å; A262-L265 PolarHBondContact O-N 3.21Å |
| 263 | L | 96.1 | Very high | 95 | Very high | 59 Ų | 59 | 72.1 Ų | 72.1 | 31% | 0.309 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.7 | -23.1 | 173.7 | -158 | 82.6 | 0 | 0 | 0 | 112.1 | L215 A259 Q260 S261 L265 D266 Y279 | L215-L263 HydrophobicContact CD2-CD1 4.27Å; A259-L263 PolarHBondContact O-N 3.43Å; A259-L263 VanDerWaalsContact O-N 3.08Å; Q260-L263 VanDerWaalsContact O-CB 3.26Å; Q260-L263 WeakPolarHBondContact O-CB 3.46Å; Q260-L263 PolarHBondContact O-N 2.85Å; S261-L263 PolarHBondContact O-N 3.31Å; L263-L265 PolarHBondContact O-N 2.99Å; L263-L265 VanDerWaalsContact O-N 3.15Å; L263-D266 WeakPolarHBondContact O-CB 3.41Å; L263-D266 PolarHBondContact O-N 2.89Å; L263-Y279 HydrophobicContact CD1-CD2 4.23Å; L263-Y279 HydrophobicContact CD1-CE2 4.11Å; L263-Y279 HydrophobicContact CD2-CE2 4.05Å |
| 264 | K | 95.5 | Very high | 94.9 | Very high | 167 Ų | 167 | 76.8 Ų | 76.8 | 73% | 0.726 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -14.3 | 175.2 | -60.1 | 178.7 | -179.7 | -180 | 0 | 113.3 | S261 A262 | S261-K264 VanDerWaalsContact O-CB 3.32Å; S261-K264 WeakPolarHBondContact O-CB 3.34Å; S261-K264 WeakPolarHBondContact O-CG 3.32Å; S261-K264 PolarHBondContact O-N 2.94Å; A262-K264 PolarHBondContact O-N 3.3Å |
| 265 | L | 95.5 | Very high | 95 | Very high | 1 Ų | 1 | 74.4 Ų | 74.4 | 1% | 0.005 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -11.4 | 173.5 | -69.4 | 175.5 | 0 | 0 | 0 | 113.4 | V230 F231 Y234 A262 L263 H267 Q268 L275 V277 | V230-L265 HydrophobicContact CG1-CD1 3.88Å; F231-L265 HydrophobicContact CD1-CD1 4.15Å; F231-L265 HydrophobicContact CE1-CD1 3.95Å; F231-L265 HydrophobicContact CE2-CD1 4.41Å; F231-L265 HydrophobicContact CG-CD1 4.46Å; F231-L265 HydrophobicContact CZ-CD1 4.08Å; Y234-L265 HydrophobicContact CD2-CD1 3.66Å; Y234-L265 HydrophobicContact CD2-CD2 4.31Å; Y234-L265 HydrophobicContact CD2-CG 4.07Å; Y234-L265 HydrophobicContact CE1-CD2 4.4Å; Y234-L265 HydrophobicContact CE1-CG 4.28Å; Y234-L265 HydrophobicContact CE2-CD1 3.57Å; Y234-L265 HydrophobicContact CE2-CD2 3.37Å; Y234-L265 HydrophobicContact CE2-CG 3.57Å; Y234-L265 HydrophobicContact CG-CD1 4.4Å; Y234-L265 VanDerWaalsContact CZ-CD2 3.41Å; Y234-L265 WeakPolarHBondContact OH-CD2 3.45Å; A262-L265 VanDerWaalsContact O-CB 3.22Å; A262-L265 WeakPolarHBondContact O-CB 3.45Å; A262-L265 WeakPolarHBondContact O-CG 3.42Å; A262-L265 PolarHBondContact O-N 3.21Å; L263-L265 PolarHBondContact O-N 2.99Å; L263-L265 VanDerWaalsContact O-N 3.15Å; L265-H267 PolarHBondContact O-N 3.05Å; L265-Q268 WeakPolarHBondContact O-CB 3.48Å; L265-Q268 PolarHBondContact O-N 3.37Å; L265-L275 HydrophobicContact CB-CD2 4.24Å; L265-V277 HydrophobicContact CB-CG2 3.98Å |
| 266 | D | 96.9 | Very high | 95.1 | Very high | 54 Ų | 54 | 78.5 Ų | 78.5 | 29% | 0.289 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 132.7 | 178.2 | -163.9 | 29.9 | 0 | 0 | 0 | 109.9 | L263 Q268 R276 V277 | L263-D266 WeakPolarHBondContact O-CB 3.41Å; L263-D266 PolarHBondContact O-N 2.89Å; D266-Q268 PolarHBondContact O-N 3.27Å; D266-R276 WeakPolarHBondContact OD1-CA 3.32Å; D266-V277 HydrophobicContact CB-CB 4.16Å; D266-V277 WeakPolarHBondContact CB-O 3.28Å; D266-V277 PolarHBondContact OD1-N 3.31Å |
| 267 | H | 96 | Very high | 95.2 | Very high | 126 Ų | 126 | 76.5 Ų | 76.5 | 58% | 0.583 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 16 | -173.9 | -55.9 | -79.9 | 0 | 0 | 0 | 115.8 | L265 L274 L275 | L265-H267 PolarHBondContact O-N 3.05Å; H267-L274 WeakPolarHBondContact O-CD2 3.24Å; H267-L275 WeakPolarHBondContact CA-O 3.11Å; H267-L275 PolarHBondContact N-O 3.17Å |
| 268 | Q | 95.5 | Very high | 95.3 | Very high | 89 Ų | 89 | 71.3 Ų | 71.3 | 42% | 0.416 | 35% | 0.353 | S | S | . | . | trans | -72.5 | 138.3 | 170.9 | -167.7 | 175.4 | 10.4 | 0 | 0 | 111.3 | L265 D266 V270 L275 | L265-Q268 WeakPolarHBondContact O-CB 3.48Å; L265-Q268 PolarHBondContact O-N 3.37Å; D266-Q268 PolarHBondContact O-N 3.27Å; Q268-V270 PolarHBondContact O-N 2.91Å; Q268-L275 PolarHBondContact O-N 3.47Å | ||
| 269 | M | 94.2 | Very high | 95.3 | Very high | 107 Ų | 107 | 72.2 Ų | 72.2 | 53% | 0.527 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 112.5 | 171.4 | -75 | -59.3 | -46.5 | 0 | 0 | 110.9 | R273 L274 | M269-R273 VanDerWaalsContact CE-N 3.3Å; M269-L274 HydrophobicContact CG-CD2 4.02Å; M269-L274 HydrophobicContact SD-CD2 3.37Å; M269-L274 WeakPolarHBondContact SD-CD2 3.06Å; M269-L274 HydrophobicContact SD-CG 3.72Å |
| 270 | V | 92.7 | Very high | 95.2 | Very high | 25 Ų | 25 | 72.4 Ų | 72.4 | 15% | 0.152 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 124.8 | 173.8 | -173.2 | 0 | 0 | 0 | 0 | 108.1 | Y219 F226 Q268 N272 R273 L275 | Y219-V270 HydrophobicContact CE2-CB 4.33Å; Y219-V270 PolarHBondContact OH-O 2.99Å; F226-V270 HydrophobicContact CE2-CG1 3.53Å; F226-V270 HydrophobicContact CZ-CB 4.44Å; F226-V270 HydrophobicContact CZ-CG1 3.63Å; Q268-V270 PolarHBondContact O-N 2.91Å; V270-N272 VanDerWaalsContact C-N 3.29Å; V270-N272 PolarHBondContact O-N 3.28Å; V270-R273 PolarHBondContact N-O 3.28Å; V270-R273 PolarHBondContact O-N 3.31Å; V270-L275 HydrophobicContact CG2-CB 4.3Å |
| 271 | S | 90.2 | Very high | 94.8 | Very high | 92 Ų | 92 | 79 Ų | 79 | 64% | 0.643 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45 | 48.2 | -176.3 | -40.3 | 0 | 0 | 0 | 0 | 114.3 | Y219 R273 | Y219-S271 WeakPolarHBondContact OH-CB 3.35Å; S271-R273 PolarHBondContact O-N 3.41Å |
| 272 | N | 92.9 | Very high | 93.6 | Very high | 155 Ų | 155 | 86.3 Ų | 86.3 | 83% | 0.829 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 23.1 | -178.9 | -57.5 | -18.3 | 0 | 0 | 0 | 114.8 | V270 | V270-N272 VanDerWaalsContact C-N 3.29Å; V270-N272 PolarHBondContact O-N 3.28Å |
| 273 | R | 94.1 | Very high | 91.8 | Very high | 131 Ų | 131 | 88.7 Ų | 88.7 | 49% | 0.494 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 150.1 | 172.2 | -62.9 | -177.6 | -174.2 | -152.5 | 3.8 | 110.8 | Y219 H220 M269 V270 S271 | Y219-R273 HydrophobicContact CD2-CB 4.49Å; Y219-R273 HydrophobicContact CE2-CB 3.67Å; H220-R273 PolarHBondContact CD2-NH1 3.03Å; M269-R273 VanDerWaalsContact CE-N 3.3Å; V270-R273 PolarHBondContact N-O 3.28Å; V270-R273 PolarHBondContact O-N 3.31Å; S271-R273 PolarHBondContact O-N 3.41Å |
| 274 | L | 95.2 | Very high | 90.1 | Very high | 101 Ų | 101 | 89.5 Ų | 89.5 | 53% | 0.529 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 124.6 | 175.9 | -67.5 | 166.9 | 0 | 0 | 0 | 109.7 | H267 M269 | H267-L274 WeakPolarHBondContact O-CD2 3.24Å; M269-L274 HydrophobicContact CG-CD2 4.02Å; M269-L274 HydrophobicContact SD-CD2 3.37Å; M269-L274 WeakPolarHBondContact SD-CD2 3.06Å; M269-L274 HydrophobicContact SD-CG 3.72Å |
| 275 | L | 96.3 | Very high | 88.2 | Confident | 1 Ų | 1 | 89.2 Ų | 89.2 | 1% | 0.005 | 41% | 0.413 | C | S | . | . | trans | -74.8 | 133.3 | 168.6 | -172.5 | 63.4 | 0 | 0 | 0 | 109 | V217 Y219 V230 L265 H267 Q268 V270 V277 | V217-L275 HydrophobicContact CG1-CD1 3.52Å; V217-L275 HydrophobicContact CG1-CG 4.35Å; Y219-L275 HydrophobicContact CD2-CD1 3.9Å; Y219-L275 HydrophobicContact CG-CD1 4.07Å; V230-L275 HydrophobicContact CG1-CD2 3.95Å; L265-L275 HydrophobicContact CB-CD2 4.24Å; H267-L275 WeakPolarHBondContact CA-O 3.11Å; H267-L275 PolarHBondContact N-O 3.17Å; Q268-L275 PolarHBondContact O-N 3.47Å; V270-L275 HydrophobicContact CG2-CB 4.3Å; L275-V277 HydrophobicContact CD2-CG2 3.81Å; L275-V277 HydrophobicContact CG-CG2 3.79Å | ||
| 276 | R | 97 | Very high | 86.3 | Confident | 147 Ų | 147 | 93.5 Ų | 93.5 | 56% | 0.555 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 119.2 | 172.8 | -175.3 | 178 | 173.3 | -176.7 | 1.1 | 109.9 | V217 G218 D266 | V217-R276 CarbonylContact C-O 3.51Å; V217-R276 VanDerWaalsContact CA-O 3.32Å; V217-R276 WeakPolarHBondContact CA-O 3.33Å; G218-R276 PolarHBondContact N-O 3.19Å; G218-R276 PolarHBondContact O-N 3.08Å; D266-R276 WeakPolarHBondContact OD1-CA 3.32Å |
| 277 | V | 96.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 98.8 Ų | 98.8 | 0% | 0 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 125.3 | 179.9 | -171.7 | 0 | 0 | 0 | 0 | 109.3 | L215 Y216 F231 L265 D266 L275 | L215-V277 HydrophobicContact CB-CG1 4.33Å; L215-V277 HydrophobicContact CD1-CG1 4.14Å; L215-V277 HydrophobicContact CD2-CG1 4.5Å; Y216-V277 WeakPolarHBondContact O-CA 3.43Å; F231-V277 HydrophobicContact CE1-CG1 4.42Å; F231-V277 HydrophobicContact CZ-CG1 4.35Å; F231-V277 HydrophobicContact CZ-CG2 4.15Å; L265-V277 HydrophobicContact CB-CG2 3.98Å; D266-V277 HydrophobicContact CB-CB 4.16Å; D266-V277 WeakPolarHBondContact CB-O 3.28Å; D266-V277 PolarHBondContact OD1-N 3.31Å; L275-V277 HydrophobicContact CD2-CG2 3.81Å; L275-V277 HydrophobicContact CG-CG2 3.79Å |
| 278 | S | 96.1 | Very high | 82.8 | Confident | 37 Ų | 37 | 98 Ų | 98 | 26% | 0.259 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 164.2 | 177.1 | 57.8 | 0 | 0 | 0 | 0 | 110.7 | L215 Y216 A280 | L215-S278 CarbonylContact C-O 3.52Å; L215-S278 WeakPolarHBondContact CA-O 3.37Å; Y216-S278 PolarHBondContact N-O 3.22Å; Y216-S278 PolarHBondContact O-N 2.92Å; S278-A280 PolarHBondContact O-N 3.38Å |
| 279 | Y | 95.7 | Very high | 80.6 | Confident | 74 Ų | 74 | 102.3 Ų | 102.3 | 29% | 0.29 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 137.3 | 171.1 | -72 | -70.2 | 0 | 0 | 0 | 111.7 | H212 L215 A259 Q260 L263 R281 | H212-Y279 HydrophobicContact CB-CD1 3.72Å; H212-Y279 HydrophobicContact CB-CE1 4.26Å; H212-Y279 HydrophobicContact CB-CG 4.46Å; H212-Y279 WeakPolarHBondContact O-CE1 3.19Å; L215-Y279 HydrophobicContact CD2-CD1 3.97Å; L215-Y279 HydrophobicContact CD2-CE1 4.09Å; A259-Y279 HydrophobicContact CB-CE1 4.49Å; Q260-Y279 WeakPolarHBondContact CG-OH 3.43Å; L263-Y279 HydrophobicContact CD1-CD2 4.23Å; L263-Y279 HydrophobicContact CD1-CE2 4.11Å; L263-Y279 HydrophobicContact CD2-CE2 4.05Å; Y279-R281 PolarHBondContact O-N 2.71Å; Y279-R281 VanDerWaalsContact O-N 3.14Å |
| 280 | A | 93.5 | Very high | 78.7 | Confident | 3 Ų | 3 | 101.7 Ų | 101.7 | 3% | 0.025 | 49% | 0.49 | C | S | . | . | trans | -65.3 | 116 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | T214 Y250 S278 R282 | T214-A280 HydrophobicContact CG2-CB 3.88Å; T214-A280 VanDerWaalsContact O-CB 3.3Å; T214-A280 WeakPolarHBondContact O-CB 3.48Å; T214-A280 PolarHBondContact O-N 2.9Å; Y250-A280 HydrophobicContact CD1-CB 4.02Å; Y250-A280 HydrophobicContact CE1-CB 4.24Å; S278-A280 PolarHBondContact O-N 3.38Å; A280-R282 PolarHBondContact O-N 3.44Å; A280-R282 VanDerWaalsContact O-N 3.09Å | ||
| 281 | R | 86.6 | Confident | 76.8 | Confident | 241 Ų | 241 | 104.5 Ų | 104.5 | 91% | 0.909 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -59.5 | -23.5 | -179.3 | -69.8 | -174.7 | 174.3 | -169.6 | -3.4 | 114.2 | Y279 | Y279-R281 PolarHBondContact O-N 2.71Å; Y279-R281 VanDerWaalsContact O-N 3.14Å |
| 282 | R | 72.6 | Confident | 74.9 | Confident | 203 Ų | 203 | 106 Ų | 106 | 77% | 0.766 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -120.9 | 111.4 | 175.6 | -64.8 | -175.9 | -174.5 | 173 | 2.3 | 106.6 | A280 F284 | A280-R282 PolarHBondContact O-N 3.44Å; A280-R282 VanDerWaalsContact O-N 3.09Å; R282-F284 PolarHBondContact O-N 2.89Å; R282-F284 VanDerWaalsContact O-N 3.09Å |
| 283 | P | 59.6 | Low | 72.9 | Confident | 50 Ų | 50 | 108 Ų | 108 | 33% | 0.325 | 52% | 0.515 | S | S | . | . | trans | -56.6 | 123 | 163.4 | 25 | -30.8 | 0 | 0 | 0 | 105.8 | H285 | P283-H285 PolarHBondContact O-N 2.66Š| ||
| 284 | F | 58.9 | Low | 70.8 | Confident | 75 Ų | 75 | 113.1 Ų | 113.1 | 33% | 0.329 | 54% | 0.536 | S | S | . | . | trans | -64.5 | 102.3 | 166.6 | -67.4 | -81.1 | 0 | 0 | 0 | 105 | T214 Y250 R282 V286 | T214-F284 HydrophobicContact CG2-CD2 4.4Å; Y250-F284 AromaticContact CD1-CE2 3.41Å; Y250-F284 HydrophobicContact CD1-CE2 3.41Å; Y250-F284 VanDerWaalsContact CD1-CE2 3.41Å; Y250-F284 AromaticContact CD1-CZ 3.9Å; Y250-F284 HydrophobicContact CD1-CZ 3.9Å; Y250-F284 AromaticContact CD2-CE2 3.64Å; Y250-F284 HydrophobicContact CD2-CE2 3.64Å; Y250-F284 AromaticContact CD2-CZ 3.46Å; Y250-F284 HydrophobicContact CD2-CZ 3.46Å; Y250-F284 VanDerWaalsContact CD2-CZ 3.46Å; Y250-F284 AromaticContact CE1-CE2 3.8Å; Y250-F284 HydrophobicContact CE1-CE2 3.8Å; Y250-F284 AromaticContact CE1-CZ 3.9Å; Y250-F284 HydrophobicContact CE1-CZ 3.9Å; Y250-F284 HydrophobicContact CE2-CE2 4.05Å; Y250-F284 AromaticContact CE2-CZ 3.51Å; Y250-F284 HydrophobicContact CE2-CZ 3.51Å; Y250-F284 HydrophobicContact CG-CD2 4.42Å; Y250-F284 AromaticContact CG-CE2 3.27Å; Y250-F284 HydrophobicContact CG-CE2 3.27Å; Y250-F284 AromaticContact CG-CZ 3.64Å; Y250-F284 HydrophobicContact CG-CZ 3.64Å; Y250-F284 AromaticContact CZ-CZ 3.71Å; R282-F284 PolarHBondContact O-N 2.89Å; R282-F284 VanDerWaalsContact O-N 3.09Å; F284-V286 PolarHBondContact O-N 3.1Å | ||
| 285 | H | 56.3 | Low | 68.8 | Low | 162 Ų | 162 | 113 Ų | 113 | 75% | 0.75 | 54% | 0.544 | S | S | * | . | trans | -59.4 | 96.5 | 160.5 | -68.4 | -77.8 | 0 | 0 | 0 | 105 | P283 K287 | P283-H285 PolarHBondContact O-N 2.66Å; H285-K287 PolarHBondContact O-N 2.86Å | ||
| 286 | V | 56.5 | Low | 66.8 | Low | 91 Ų | 91 | 118.2 Ų | 118.2 | 55% | 0.552 | 58% | 0.578 | S | S | * | * | trans | -57.3 | 100.6 | 154.3 | -177.6 | 0 | 0 | 0 | 0 | 102.1 | F284 P288 | F284-V286 PolarHBondContact O-N 3.1Å; V286-P288 VanDerWaalsContact O-CD 3.3Å; V286-P288 WeakPolarHBondContact O-CD 3.37Å | ||
| 287 | K | 59.6 | Low | 64.7 | Low | 165 Ų | 165 | 120.7 Ų | 120.7 | 72% | 0.717 | 59% | 0.589 | S | S | * | * | trans | -53.1 | 119.8 | 162.7 | -71.2 | -175.8 | 179.3 | -178.7 | 0 | 103.5 | H285 F289 | H285-K287 PolarHBondContact O-N 2.86Å; K287-F289 PolarHBondContact O-N 3.4Å | ||
| 288 | P | 59.1 | Low | 62.5 | Low | 109 Ų | 109 | 132.1 Ų | 132.1 | 71% | 0.708 | 63% | 0.631 | S | S | * | * | trans | -50.8 | 121.8 | 171.6 | 21.7 | -30.7 | 0 | 0 | 0 | 104.8 | V286 S290 | V286-P288 VanDerWaalsContact O-CD 3.3Å; V286-P288 WeakPolarHBondContact O-CD 3.37Å; P288-S290 PolarHBondContact O-N 3.1Å | ||
| 289 | F | 48.1 | Very low | 60.4 | Low | 180 Ų | 180 | 134.7 Ų | 134.7 | 79% | 0.789 | 65% | 0.649 | S | S | * | * | trans | -64.9 | 91.6 | 174.3 | 178.7 | -97.7 | 0 | 0 | 0 | 104.7 | K287 P291 | K287-F289 PolarHBondContact O-N 3.4Å; F289-P291 HydrophobicContact CD1-CB 4.39Å; F289-P291 HydrophobicContact CE1-CB 3.8Å; F289-P291 HydrophobicContact CE1-CG 4.33Å; F289-P291 HydrophobicContact CZ-CB 4.41Å; F289-P291 WeakPolarHBondContact O-CD 3.46Å | ||
| 290 | S | 55.3 | Low | 58.4 | Low | 94 Ų | 94 | 140.4 Ų | 140.4 | 66% | 0.657 | 68% | 0.676 | S | S | * | * | trans | -77 | 103.8 | 161.2 | 57.2 | 0 | 0 | 0 | 0 | 104.4 | P288 T292 | P288-S290 PolarHBondContact O-N 3.1Å; S290-T292 PolarHBondContact O-N 3.46Å | ||
| 291 | P | 53.5 | Low | 56.3 | Low | 83 Ų | 83 | 152.1 Ų | 152.1 | 54% | 0.539 | 72% | 0.72 | S | S | . | * | trans | -58.8 | 138.8 | 162.9 | 28.1 | -30.7 | 0 | 0 | 0 | 105.5 | F289 | F289-P291 HydrophobicContact CD1-CB 4.39Å; F289-P291 HydrophobicContact CE1-CB 3.8Å; F289-P291 HydrophobicContact CE1-CG 4.33Å; F289-P291 HydrophobicContact CZ-CB 4.41Å; F289-P291 WeakPolarHBondContact O-CD 3.46Å | ||
| 292 | T | 48.6 | Very low | 54.6 | Low | 125 Ų | 125 | 149.5 Ų | 149.5 | 77% | 0.767 | 72% | 0.715 | S | S | * | * | trans | 86.1 | 90.2 | 170 | -24 | 0 | 0 | 0 | 0 | 115.4 | S290 | S290-T292 PolarHBondContact O-N 3.46Š| ||
| 293 | K | 52.6 | Low | 53.4 | Low | 197 Ų | 197 | 146 Ų | 146 | 86% | 0.857 | 72% | 0.716 | S | S | * | * | -177.3 | 109 | 119.8 | -92.3 | 173.6 | -167.6 | -165.4 | 0 | 109 | S295 | K293-S295 PolarHBondContact O-N 3.23Š| |||
| 294 | Y | 49.3 | Very low | 52.7 | Low | 238 Ų | 238 | 150.9 Ų | 150.9 | 93% | 0.933 | 74% | 0.74 | S | S | * | * | trans | -50.1 | 119.4 | 165.2 | -100.6 | -106.7 | 0 | 0 | 0 | 109.1 | ||||
| 295 | S | 52.7 | Low | 52 | Low | 99 Ų | 99 | 152.3 Ų | 152.3 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | trans | -118.9 | 102.6 | 168 | -179.2 | 0 | 0 | 0 | 0 | 108.4 | K293 Y297 | K293-S295 PolarHBondContact O-N 3.23Å; S295-Y297 PolarHBondContact O-N 3.28Å | ||
| 296 | P | 55.1 | Low | 51.3 | Low | 110 Ų | 110 | 150.1 Ų | 150.1 | 71% | 0.714 | 76% | 0.76 | S | S | * | * | trans | -83.6 | 13.9 | -178.6 | 30.9 | -29.2 | 0 | 0 | 0 | 113.9 | ||||
| 297 | Y | 52.4 | Low | 50.6 | Low | 199 Ų | 199 | 153 Ų | 153 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | trans | -124 | 73.4 | -179.6 | -75.8 | -85 | 0 | 0 | 0 | 112 | S295 S299 | S295-Y297 PolarHBondContact O-N 3.28Å; Y297-S299 PolarHBondContact O-N 3.06Å; Y297-S299 VanDerWaalsContact O-N 3.1Å | ||
| 298 | R | 50.2 | Low | 49.8 | Very low | 239 Ų | 239 | 149.2 Ų | 149.2 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | trans | -83.9 | 70.9 | 159 | -142.4 | 177 | -160.6 | -140.9 | 0.4 | 108.5 | ||||
| 299 | S | 53.3 | Low | 49.3 | Very low | 91 Ų | 91 | 151 Ų | 151 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | trans | -64.5 | 142 | 173.3 | -170.4 | 0 | 0 | 0 | 0 | 110.6 | Y297 R301 | Y297-S299 PolarHBondContact O-N 3.06Å; Y297-S299 VanDerWaalsContact O-N 3.1Å; S299-R301 PolarHBondContact O-N 3.07Å | ||
| 300 | F | 51.8 | Low | 49.5 | Very low | 195 Ų | 195 | 151.4 Ų | 151.4 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | -47.2 | 117.1 | 178.6 | -65.8 | -98.4 | 0 | 0 | 0 | 111.8 | K302 | F300-K302 VanDerWaalsContact C-N 3.33Å; F300-K302 PolarHBondContact O-N 2.93Å | ||
| 301 | R | 49.6 | Very low | 49.3 | Very low | 248 Ų | 248 | 156.1 Ų | 156.1 | 94% | 0.936 | 79% | 0.787 | S | S | * | * | trans | -75.7 | 92.1 | 161.1 | -71.2 | -165.4 | -171.8 | -156.7 | 1.3 | 108.1 | S299 | S299-R301 PolarHBondContact O-N 3.07Š| ||
| 302 | K | 51 | Low | 48.7 | Very low | 187 Ų | 187 | 157.8 Ų | 157.8 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | -67.1 | 126 | 149.7 | -97.2 | -178.3 | 173.3 | -176.9 | 0 | 107.5 | F300 D304 | F300-K302 VanDerWaalsContact C-N 3.33Å; F300-K302 PolarHBondContact O-N 2.93Å; K302-D304 PolarHBondContact O-N 3.01Å | ||
| 303 | T | 47.1 | Very low | 48.6 | Very low | 128 Ų | 128 | 156.9 Ų | 156.9 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -72.7 | 109.9 | 166.6 | 42 | 0 | 0 | 0 | 0 | 108 | ||||
| 304 | D | 45.7 | Very low | 48.5 | Very low | 153 Ų | 153 | 154.1 Ų | 154.1 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -145.7 | 108.7 | 155.6 | -74.5 | -51.1 | 0 | 0 | 0 | 107 | K302 | K302-D304 PolarHBondContact O-N 3.01Š| ||
| 305 | S | 44.3 | Very low | 48.5 | Very low | 106 Ų | 106 | 151.6 Ų | 151.6 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | trans | -112 | 127.5 | 175 | 52.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 306 | C | 40.5 | Very low | 48.2 | Very low | 115 Ų | 115 | 154.5 Ų | 154.5 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | trans | 87.4 | 100.8 | 154.3 | -43.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 307 | N | 42.9 | Very low | 47.7 | Very low | 152 Ų | 152 | 154.1 Ų | 154.1 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | 171.8 | 97.8 | 120.7 | -96.3 | -3.3 | 0 | 0 | 0 | 108.1 | |||||
| 308 | S | 43.4 | Very low | 47.6 | Very low | 85 Ų | 85 | 150.8 Ų | 150.8 | 59% | 0.594 | 80% | 0.795 | S | S | * | * | 85.5 | 114.8 | 89.6 | 70.1 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 309 | N | 47.3 | Very low | 47.4 | Very low | 148 Ų | 148 | 148.3 Ų | 148.3 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | 119 | 131.7 | 145.1 | -56.4 | -22.5 | 0 | 0 | 0 | 116.2 | ||||
| 310 | E | 52.1 | Low | 47.4 | Very low | 188 Ų | 188 | 151.7 Ų | 151.7 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | trans | 97.5 | 93.5 | 158.8 | -52.9 | -165.8 | 165.8 | 0 | 0 | 119.4 | ||||
| 311 | E | 51.2 | Low | 47.4 | Very low | 193 Ų | 193 | 149.3 Ų | 149.3 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | 50.3 | 140.1 | 140.6 | -93.1 | -170.3 | 129.4 | 0 | 0 | 124.8 | ||||
| 312 | P | 41.7 | Very low | 47.9 | Very low | 117 Ų | 117 | 149.1 Ų | 149.1 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | trans | -106 | 146.5 | -173.9 | 39.3 | -28 | 0 | 0 | 0 | 113.8 | ||||
| 313 | S | 47 | Very low | 48.7 | Very low | 107 Ų | 107 | 147.2 Ų | 147.2 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | -154.2 | 123.7 | 153.9 | 44.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 314 | N | 49.2 | Very low | 49.8 | Very low | 139 Ų | 139 | 149.2 Ų | 149.2 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | trans | 62 | 106.4 | 147.5 | -63 | -34 | 0 | 0 | 0 | 119.9 | ||||
| 315 | K | 49.2 | Very low | 50.9 | Low | 184 Ų | 184 | 147.1 Ų | 147.1 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | 68.1 | 116.3 | 88.2 | -79.6 | -173.5 | 177.5 | 179.7 | 0 | 113.9 | |||||
| 316 | I | 46.5 | Very low | 52.5 | Low | 160 Ų | 160 | 145.8 Ų | 145.8 | 82% | 0.821 | 78% | 0.783 | S | S | * | * | 168.3 | 133.2 | 116 | -80.8 | 149.9 | 0 | 0 | 0 | 110.4 | |||||
| 317 | S | 45.9 | Very low | 54 | Low | 103 Ų | 103 | 149.7 Ų | 149.7 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | trans | -75.6 | 143.1 | 176.9 | 50.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 318 | C | 49.6 | Very low | 55.4 | Low | 128 Ų | 128 | 150 Ų | 150 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | trans | -146.1 | 103.8 | 154.6 | -64.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 319 | E | 45 | Very low | 56.9 | Low | 187 Ų | 187 | 151.7 Ų | 151.7 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -77.1 | 139 | 152.6 | -64.3 | -173.9 | 147.2 | 0 | 0 | 108.2 | ||||
| 320 | L | 53.6 | Low | 58 | Low | 163 Ų | 163 | 150.3 Ų | 150.3 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | -170.2 | 129 | 145.5 | -108.1 | 146.9 | 0 | 0 | 0 | 112.2 | ||||
| 321 | N | 52 | Low | 59.2 | Low | 145 Ų | 145 | 151.4 Ų | 151.4 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | trans | -50.2 | 137.1 | 173.6 | -56.2 | -62.5 | 0 | 0 | 0 | 112.2 | ||||
| 322 | R | 60.3 | Low | 60.2 | Low | 243 Ų | 243 | 146.8 Ų | 146.8 | 92% | 0.917 | 76% | 0.761 | S | S | * | * | trans | -130.9 | 103.1 | 161.8 | -76.8 | -172 | 170.3 | 173 | -2.7 | 108.6 | ||||
| 323 | D | 68.6 | Low | 61.6 | Low | 148 Ų | 148 | 149.3 Ų | 149.3 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -62.7 | 147 | 166.2 | -67.8 | -42.2 | 0 | 0 | 0 | 110 | V325 | D323-V325 PolarHBondContact O-N 3.42Å; D323-V325 VanDerWaalsContact O-N 3.16Å | ||
| 324 | L | 69.2 | Low | 62.5 | Low | 170 Ų | 170 | 157.7 Ų | 157.7 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | trans | -62.5 | 113.1 | 176.5 | -99.7 | 99.1 | 0 | 0 | 0 | 109.6 | ||||
| 325 | V | 70.1 | Confident | 63.2 | Low | 108 Ų | 108 | 158.7 Ų | 158.7 | 66% | 0.655 | 79% | 0.793 | S | S | * | * | trans | -79.1 | 119 | 164.6 | 179.1 | 0 | 0 | 0 | 0 | 108.1 | D323 | D323-V325 PolarHBondContact O-N 3.42Å; D323-V325 VanDerWaalsContact O-N 3.16Å | ||
| 326 | T | 77.3 | Confident | 63.9 | Low | 78 Ų | 78 | 157.3 Ų | 157.3 | 48% | 0.479 | 79% | 0.793 | S | S | . | * | trans | -84.3 | 145.8 | 169.7 | 33.4 | 0 | 0 | 0 | 0 | 110.5 | E328 D329 | T326-E328 PolarHBondContact O-N 3.09Å; T326-D329 PolarHBondContact O-N 3.42Å | ||
| 327 | Y | 71.6 | Confident | 64.9 | Low | 198 Ų | 198 | 157.2 Ų | 157.2 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | G | 310 helix | trans | -62 | -9 | -172.8 | -91.7 | -92.2 | 0 | 0 | 0 | 115.4 | ||
| 328 | E | 73.5 | Confident | 66 | Low | 159 Ų | 159 | 160.4 Ų | 160.4 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | G | 310 helix | trans | -79.4 | -20.4 | -178.3 | -70.3 | 163.6 | 176.9 | 0 | 0 | 112.6 | T326 L330 | T326-E328 PolarHBondContact O-N 3.09Å; E328-L330 VanDerWaalsContact C-N 3.28Å; E328-L330 PolarHBondContact O-N 2.87Å |
| 329 | D | 74.6 | Confident | 67 | Low | 119 Ų | 119 | 162.4 Ų | 162.4 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | G | 310 helix | trans | -80.5 | -3.3 | -179.5 | -67.7 | -29.4 | 0 | 0 | 0 | 114 | T326 | T326-D329 PolarHBondContact O-N 3.42Š|
| 330 | L | 71 | Confident | 68.5 | Low | 120 Ų | 120 | 160.7 Ų | 160.7 | 63% | 0.628 | 79% | 0.785 | S | S | * | * | G | 310 helix | trans | -92.7 | -1.4 | -176.2 | -69.7 | 173.5 | 0 | 0 | 0 | 114.7 | E328 | E328-L330 VanDerWaalsContact C-N 3.28Å; E328-L330 PolarHBondContact O-N 2.87Å |
| 331 | Y | 76.6 | Confident | 69.5 | Low | 211 Ų | 211 | 160.6 Ų | 160.6 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -130.5 | 7.8 | -172.6 | -76.5 | -77.6 | 0 | 0 | 0 | 116.3 | ||
| 332 | S | 71.2 | Confident | 70.9 | Confident | 96 Ų | 96 | 161.8 Ų | 161.8 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | trans | -103.7 | 87.8 | 174.9 | -60.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 333 | D | 71.6 | Confident | 71.8 | Confident | 169 Ų | 169 | 155 Ų | 155 | 90% | 0.904 | 77% | 0.77 | S | S | * | * | trans | 175.4 | 107.1 | 141.6 | -87.6 | -17.3 | 0 | 0 | 0 | 110.1 | ||||
| 334 | K | 65.9 | Low | 72 | Confident | 284 Ų | 284 | 155.6 Ų | 155.6 | 100% | 1.235 | 77% | 0.768 | S | S | * | * | trans | -133.8 | 0 | 161.5 | -101.2 | -165.8 | -180 | -175.8 | 0 | 108.2 |
Retrieved 334 of 334 residues in 238.2 ms
(Link to these results)