| 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 | 34.5 | Very low | 30 | Very low | 245 Ų | 245 | 149.2 Ų | 149.2 | 100% | 1.207 | 87% | 0.866 | S | S | * | * | 0 | 128.4 | 0 | -89 | 178.4 | 163.8 | 0 | 0 | 108.1 | |||||
| 2 | A | 34.7 | Very low | 29.7 | Very low | 95 Ų | 95 | 146.8 Ų | 146.8 | 79% | 0.785 | 86% | 0.864 | S | S | * | * | trans | 61.2 | 103 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 3 | S | 30.8 | Very low | 29.6 | Very low | 123 Ų | 123 | 145.6 Ų | 145.6 | 86% | 0.86 | 86% | 0.86 | S | S | * | * | 78 | 130.6 | 58.9 | -65.2 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 4 | R | 30.5 | Very low | 29.6 | Very low | 238 Ų | 238 | 143.6 Ų | 143.6 | 90% | 0.898 | 85% | 0.853 | S | S | * | * | trans | 106.9 | 102.8 | 149.2 | -141.1 | 170.7 | -171.3 | 175.1 | 1.5 | 114.1 | ||||
| 5 | K | 31.9 | Very low | 29.5 | Very low | 189 Ų | 189 | 147.2 Ų | 147.2 | 82% | 0.822 | 86% | 0.861 | S | S | * | * | cis | 92.5 | 111.1 | 49.3 | -161.8 | -170.6 | -157.4 | -170.6 | 0 | 111.5 | ||||
| 6 | E | 28.3 | Very low | 29.4 | Very low | 187 Ų | 187 | 143.6 Ų | 143.6 | 87% | 0.874 | 85% | 0.854 | S | S | * | * | trans | 172.4 | 101.8 | 150.6 | -97.8 | 169.3 | -161 | 0 | 0 | 105.7 | ||||
| 7 | S | 27.6 | Very low | 29.2 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 78% | 0.776 | 85% | 0.852 | S | S | * | * | 69.4 | 81.6 | 58.3 | 79.1 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 8 | S | 26.5 | Very low | 29.2 | Very low | 124 Ų | 124 | 141.9 Ų | 141.9 | 87% | 0.867 | 85% | 0.852 | S | S | * | * | trans | -147.2 | 93.4 | 152.3 | 64.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 9 | S | 28.5 | Very low | 29 | Very low | 115 Ų | 115 | 137.9 Ų | 137.9 | 80% | 0.804 | 84% | 0.843 | S | S | * | * | trans | -121.8 | 115.8 | 171.8 | 56.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 10 | A | 29.1 | Very low | 28.8 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 89% | 0.893 | 84% | 0.839 | S | S | * | * | trans | -55.4 | 135 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 11 | S | 27.9 | Very low | 28.7 | Very low | 106 Ų | 106 | 134.1 Ų | 134.1 | 74% | 0.741 | 84% | 0.835 | S | S | * | * | trans | -135.6 | 106.2 | 166.7 | 59.4 | 0 | 0 | 0 | 0 | 109.3 | T13 | S11-T13 PolarHBondContact O-N 3.21Š| ||
| 12 | S | 26.1 | Very low | 28.7 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | trans | -61.4 | 115.9 | 164.7 | 48.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 13 | T | 29.1 | Very low | 28.8 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -85.3 | 137.4 | 169.6 | 7.6 | 0 | 0 | 0 | 0 | 110.3 | S11 | S11-T13 PolarHBondContact O-N 3.21Š| ||
| 14 | P | 29.4 | Very low | 29.4 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | trans | -77.8 | 134.9 | 174.2 | 30.3 | -28.3 | 0 | 0 | 0 | 110.2 | A16 | P14-A16 PolarHBondContact O-N 3.1Š| ||
| 15 | M | 27.2 | Very low | 30.9 | Very low | 197 Ų | 197 | 122.3 Ų | 122.3 | 97% | 0.97 | 78% | 0.78 | S | S | * | * | trans | -66 | 110.8 | 169.9 | -80.8 | 179.7 | 130.7 | 0 | 0 | 109.4 | ||||
| 16 | A | 27.8 | Very low | 32.5 | Very low | 90 Ų | 90 | 113.7 Ų | 113.7 | 74% | 0.744 | 74% | 0.744 | S | S | * | * | trans | -80.4 | 117.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | P14 T18 | P14-A16 PolarHBondContact O-N 3.1Å; A16-T18 PolarHBondContact O-N 3.28Å | ||
| 17 | S | 27.2 | Very low | 34.8 | Very low | 118 Ų | 118 | 110.2 Ų | 110.2 | 83% | 0.825 | 73% | 0.726 | S | S | * | * | trans | -60.6 | 108.2 | 167.6 | 50.6 | 0 | 0 | 0 | 0 | 110.1 | G19 | S17-G19 PolarHBondContact O-N 3.25Š| ||
| 18 | T | 27.9 | Very low | 37.4 | Very low | 139 Ų | 139 | 107.1 Ų | 107.1 | 85% | 0.853 | 70% | 0.699 | S | S | * | * | trans | -71.9 | 91.6 | 167.8 | 45.7 | 0 | 0 | 0 | 0 | 109.1 | A16 G20 | A16-T18 PolarHBondContact O-N 3.28Å; T18-G20 PolarHBondContact O-N 3.07Å | ||
| 19 | G | 25.5 | Very low | 40.4 | Very low | 66 Ų | 66 | 101.2 Ų | 101.2 | 68% | 0.68 | 66% | 0.657 | S | S | * | * | trans | -66.3 | 113.1 | 153.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | S17 T21 | S17-G19 PolarHBondContact O-N 3.25Å; G19-T21 PolarHBondContact O-N 3.21Å; G19-T21 VanDerWaalsContact O-N 3.15Å | ||
| 20 | G | 25.2 | Very low | 43.3 | Very low | 75 Ų | 75 | 96.3 Ų | 96.3 | 77% | 0.773 | 62% | 0.622 | S | S | * | * | trans | -70 | 103.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | T18 L22 | T18-G20 PolarHBondContact O-N 3.07Å; G20-L22 PolarHBondContact O-N 3.49Å | ||
| 21 | T | 27.4 | Very low | 46.2 | Very low | 121 Ų | 121 | 91.2 Ų | 91.2 | 74% | 0.742 | 58% | 0.58 | S | S | * | * | trans | -69.3 | 110 | 160.1 | 46.2 | 0 | 0 | 0 | 0 | 107.5 | G19 D23 | G19-T21 PolarHBondContact O-N 3.21Å; G19-T21 VanDerWaalsContact O-N 3.15Å; T21-D23 PolarHBondContact O-N 3.33Å | ||
| 22 | L | 34.4 | Very low | 49.2 | Very low | 183 Ų | 183 | 88.8 Ų | 88.8 | 96% | 0.958 | 56% | 0.557 | S | S | * | * | trans | -66.1 | 69.4 | 166.9 | -82.4 | 147.2 | 0 | 0 | 0 | 109.5 | G20 | G20-L22 PolarHBondContact O-N 3.49Š| ||
| 23 | D | 36 | Very low | 52 | Low | 124 Ų | 124 | 83.7 Ų | 83.7 | 66% | 0.663 | 52% | 0.523 | S | S | * | . | trans | -139.6 | 30.8 | -173.8 | -141.2 | 10.8 | 0 | 0 | 0 | 110.9 | T21 P25 | T21-D23 PolarHBondContact O-N 3.33Å; D23-P25 WeakPolarHBondContact O-CD 3.42Å | ||
| 24 | S | 44.3 | Very low | 54.8 | Low | 81 Ų | 81 | 81.1 Ų | 81.1 | 57% | 0.566 | 50% | 0.504 | S | S | * | . | trans | -93.2 | 111.6 | 168.8 | -81.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 25 | P | 61 | Low | 57.7 | Low | 64 Ų | 64 | 75.5 Ų | 75.5 | 42% | 0.416 | 47% | 0.468 | S | S | . | . | trans | -62.4 | 138.5 | 171.2 | 25.6 | -32.3 | 0 | 0 | 0 | 109.3 | D23 K27 | D23-P25 WeakPolarHBondContact O-CD 3.42Å; P25-K27 WeakPolarHBondContact O-CG 3.35Å; P25-K27 PolarHBondContact O-N 2.95Å | ||
| 26 | V | 65.4 | Low | 60.6 | Low | 9 Ų | 9 | 66.7 Ų | 66.7 | 6% | 0.055 | 43% | 0.425 | C | S | . | . | trans | -43.6 | 112.1 | 169.8 | 177 | 0 | 0 | 0 | 0 | 109.9 | Q28 V61 L66 E136 | V26-Q28 WeakPolarHBondContact CG1-O 3.41Å; V26-V61 HydrophobicContact CG2-CG1 4.31Å; V26-L66 HydrophobicContact CG1-CB 3.59Å; V26-L66 HydrophobicContact CG2-CB 4.45Å; V26-E136 HydrophobicContact CG2-CB 4.27Å; V26-E136 HydrophobicContact CG2-CG 4.12Å | ||
| 27 | K | 76.4 | Confident | 63.5 | Low | 114 Ų | 114 | 68 Ų | 68 | 50% | 0.496 | 42% | 0.419 | S | S | . | . | trans | -86.4 | -19 | -178.9 | -67.6 | -168.2 | -161.9 | 80.9 | 0 | 113.5 | P25 D64 P192 | P25-K27 WeakPolarHBondContact O-CG 3.35Å; P25-K27 PolarHBondContact O-N 2.95Å; K27-D64 VanDerWaalsContact CD-OD2 3.26Å; K27-D64 WeakPolarHBondContact CD-OD2 3.41Å; K27-D64 WeakPolarHBondContact CG-OD1 3.27Å; K27-D64 WeakPolarHBondContact CG-OD2 3.42Å; K27-D64 PolarHBondContact N-O 2.93Å; K27-D64 VanDerWaalsContact N-O 3.12Å; K27-D64 IonicContact NZ-OD1 3.12Å; K27-D64 PolarHBondContact NZ-OD1 3.37Å; K27-D64 IonicContact NZ-OD2 3.69Å; K27-D64 PolarHBondContact NZ-OD2 3.38Å; K27-P192 WeakPolarHBondContact O-CD 3.5Å; K27-P192 WeakPolarHBondContact O-CG 3.43Å | ||
| 28 | Q | 83.4 | Confident | 66.5 | Low | 45 Ų | 45 | 66 Ų | 66 | 21% | 0.21 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 140.1 | -174 | -177.8 | 168.5 | 57.7 | 0 | 0 | 111.5 | V26 R65 L66 V194 | V26-Q28 WeakPolarHBondContact CG1-O 3.41Å; Q28-R65 HydrophobicContact CB-CG 4.42Å; Q28-R65 VanDerWaalsContact O-CA 3.29Å; Q28-R65 WeakPolarHBondContact O-CA 3.47Å; Q28-L66 PolarHBondContact O-N 3.45Å; Q28-V194 HydrophobicContact CG-CG2 4.28Å |
| 29 | I | 88.4 | Confident | 69.4 | Low | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 125.1 | 174.3 | -60.4 | 152.6 | 0 | 0 | 0 | 108.3 | I31 L66 I68 V138 A156 V191 P192 I193 V194 | I29-I31 HydrophobicContact CG2-CD1 4.14Å; I29-I31 HydrophobicContact CG2-CG1 3.7Å; I29-L66 CarbonylContact C-O 3.56Å; I29-L66 WeakPolarHBondContact CA-O 3.32Å; I29-L66 HydrophobicContact CG1-CB 4.3Å; I29-L66 HydrophobicContact CG1-CD2 4.39Å; I29-I68 HydrophobicContact CG2-CD1 3.57Å; I29-I68 HydrophobicContact CG2-CG1 4.02Å; I29-V138 HydrophobicContact CD1-CB 4.44Å; I29-V138 HydrophobicContact CD1-CG1 3.61Å; I29-V138 HydrophobicContact CD1-CG2 4.1Å; I29-V138 HydrophobicContact CG1-CG2 4.48Å; I29-A156 HydrophobicContact CD1-CB 3.29Å; I29-V191 HydrophobicContact CD1-CB 3.65Å; I29-V191 HydrophobicContact CD1-CG1 3.6Å; I29-V191 HydrophobicContact CG1-CB 4.35Å; I29-V191 HydrophobicContact CG1-CG1 3.73Å; I29-P192 PolarHBondContact N-O 3.42Å; I29-P192 VanDerWaalsContact N-O 3.09Å; I29-I193 CarbonylContact O-C 3.44Å; I29-I193 WeakPolarHBondContact O-CA 3.39Å; I29-V194 PolarHBondContact O-N 3.18Å |
| 30 | Q | 90 | Very high | 72.3 | Confident | 12 Ų | 12 | 59.3 Ų | 59.3 | 6% | 0.056 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 124.2 | 170.1 | -71.2 | -178.2 | 84.1 | 0 | 0 | 108.8 | L66 E67 I68 V194 | Q30-L66 PolarHBondContact N-O 3.5Å; Q30-E67 HydrophobicContact CB-CG 4.2Å; Q30-E67 PolarHBondContact NE2-OE1 3.48Å; Q30-E67 WeakPolarHBondContact O-CA 3.39Å; Q30-E67 PolarHBondContact OE1-OE1 2.85Å; Q30-I68 PolarHBondContact O-N 3.46Å; Q30-V194 CarbonylContact C-O 3.58Å; Q30-V194 VanDerWaalsContact CA-O 3.27Å; Q30-V194 WeakPolarHBondContact CA-O 3.22Å |
| 31 | I | 90.9 | Very high | 75.3 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 131.3 | -179.7 | -53 | -176.1 | 0 | 0 | 0 | 108.8 | I29 V35 V36 I68 L140 L154 I193 V194 I195 K196 | I29-I31 HydrophobicContact CG2-CD1 4.14Å; I29-I31 HydrophobicContact CG2-CG1 3.7Å; I31-V35 HydrophobicContact CG2-CB 3.82Å; I31-V35 HydrophobicContact CG2-CG1 4Å; I31-V35 HydrophobicContact CG2-CG2 4.46Å; I31-V36 HydrophobicContact CG2-CG2 3.91Å; I31-I68 HydrophobicContact CD1-CD1 4.48Å; I31-I68 HydrophobicContact CG1-CD1 4.22Å; I31-L140 HydrophobicContact CD1-CD1 3.8Å; I31-L140 HydrophobicContact CD1-CD2 3.89Å; I31-L154 HydrophobicContact CD1-CD2 3.4Å; I31-L154 VanDerWaalsContact CD1-CD2 3.4Å; I31-I193 HydrophobicContact CD1-CG1 4.33Å; I31-I193 HydrophobicContact CD1-CG2 3.5Å; I31-I193 VanDerWaalsContact CD1-CG2 3.5Å; I31-I193 HydrophobicContact CG1-CG2 3.92Å; I31-V194 PolarHBondContact N-O 3.05Å; I31-I195 WeakPolarHBondContact O-CA 3.39Å; I31-K196 PolarHBondContact O-N 3.27Å |
| 32 | E | 89.4 | Confident | 78.1 | Confident | 54 Ų | 54 | 56.1 Ų | 56.1 | 25% | 0.252 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 139.2 | 170.3 | -170 | 167.5 | -168.9 | 0 | 0 | 110.9 | L34 V35 I68 K196 I201 | E32-L34 HydrophobicContact CG-CB 4.26Å; E32-L34 PolarHBondContact O-N 3.48Å; E32-V35 WeakPolarHBondContact O-CB 3.28Å; E32-V35 PolarHBondContact O-N 2.96Å; E32-I68 PolarHBondContact N-O 3.11Å; E32-I68 VanDerWaalsContact N-O 3.07Å; E32-K196 WeakPolarHBondContact CA-O 3.31Å; E32-I201 HydrophobicContact CG-CD1 4.45Å; E32-I201 WeakPolarHBondContact OE1-CD1 3.35Å |
| 33 | G | 85.4 | Confident | 80.4 | Confident | 14 Ų | 14 | 49.7 Ų | 49.7 | 14% | 0.144 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.1 | -25.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | V35 V36 L37 N197 | G33-V35 VanDerWaalsContact C-N 3.33Å; G33-V35 PolarHBondContact O-N 2.8Å; G33-V36 PolarHBondContact O-N 2.89Å; G33-L37 PolarHBondContact O-N 2.66Å; G33-L37 VanDerWaalsContact O-N 3.1Å; G33-N197 WeakPolarHBondContact CA-OD1 3.06Å; G33-N197 PolarHBondContact N-OD1 2.71Å |
| 34 | L | 88.8 | Confident | 82.6 | Confident | 77 Ų | 77 | 49.9 Ų | 49.9 | 40% | 0.403 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.7 | -41.2 | 174.3 | -179.2 | 64.5 | 0 | 0 | 0 | 112.6 | E32 L37 K38 | E32-L34 HydrophobicContact CG-CB 4.26Å; E32-L34 PolarHBondContact O-N 3.48Å; L34-L37 PolarHBondContact O-N 3Å; L34-K38 HydrophobicContact CG-CD 4.41Å; L34-K38 WeakPolarHBondContact O-CG 3.26Å; L34-K38 PolarHBondContact O-N 3.31Å |
| 35 | V | 89.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.2 | -46.3 | -179.8 | 175.1 | 0 | 0 | 0 | 0 | 109.9 | I31 E32 G33 L37 K38 I39 L57 I68 T69 C71 | I31-V35 HydrophobicContact CG2-CB 3.82Å; I31-V35 HydrophobicContact CG2-CG1 4Å; I31-V35 HydrophobicContact CG2-CG2 4.46Å; E32-V35 WeakPolarHBondContact O-CB 3.28Å; E32-V35 PolarHBondContact O-N 2.96Å; G33-V35 VanDerWaalsContact C-N 3.33Å; G33-V35 PolarHBondContact O-N 2.8Å; V35-L37 PolarHBondContact O-N 3.46Å; V35-K38 PolarHBondContact O-N 2.9Å; V35-I39 HydrophobicContact CG1-CD1 3.93Å; V35-I39 VanDerWaalsContact O-CG1 3.32Å; V35-I39 WeakPolarHBondContact O-CG1 3.44Å; V35-I39 PolarHBondContact O-N 3.46Å; V35-L57 HydrophobicContact CG1-CD2 4.16Å; V35-I68 HydrophobicContact CG1-CG2 4.13Å; V35-I68 HydrophobicContact CG2-CG2 4.05Å; V35-T69 WeakPolarHBondContact CG2-O 3.42Å; V35-C71 HydrophobicContact CG1-CB 4.02Å |
| 36 | V | 89 | Confident | 84.9 | Confident | 13 Ų | 13 | 51.8 Ų | 51.8 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.8 | -46.1 | 178.8 | -177.2 | 0 | 0 | 0 | 0 | 110.7 | I31 G33 K38 I39 I40 L152 | I31-V36 HydrophobicContact CG2-CG2 3.91Å; G33-V36 PolarHBondContact O-N 2.89Å; V36-K38 VanDerWaalsContact C-N 3.32Å; V36-K38 PolarHBondContact O-N 3.35Å; V36-I39 PolarHBondContact O-N 3Å; V36-I40 HydrophobicContact CG1-CD1 3.89Å; V36-I40 VanDerWaalsContact O-CG1 3.27Å; V36-I40 WeakPolarHBondContact O-CG1 3.38Å; V36-I40 PolarHBondContact O-N 2.89Å; V36-L152 HydrophobicContact CG1-CD1 4.28Å; V36-L152 HydrophobicContact CG1-CD2 4.2Å |
| 37 | L | 87.9 | Confident | 84.8 | Confident | 117 Ų | 117 | 51.5 Ų | 51.5 | 61% | 0.613 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -60.9 | -40 | 177 | -77.8 | 162.8 | 0 | 0 | 0 | 112.5 | G33 L34 V35 I40 K41 | G33-L37 PolarHBondContact O-N 2.66Å; G33-L37 VanDerWaalsContact O-N 3.1Å; L34-L37 PolarHBondContact O-N 3Å; V35-L37 PolarHBondContact O-N 3.46Å; L37-I40 PolarHBondContact O-N 3.45Å; L37-K41 VanDerWaalsContact O-CB 3.29Å; L37-K41 WeakPolarHBondContact O-CB 3.33Å; L37-K41 PolarHBondContact O-N 3.04Å |
| 38 | K | 89.8 | Confident | 84 | Confident | 75 Ų | 75 | 54.3 Ų | 54.3 | 33% | 0.326 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 176.2 | -77.6 | -178.6 | 174.5 | -167.8 | 0 | 112.3 | L34 V35 V36 K41 H42 N70 C71 | L34-K38 HydrophobicContact CG-CD 4.41Å; L34-K38 WeakPolarHBondContact O-CG 3.26Å; L34-K38 PolarHBondContact O-N 3.31Å; V35-K38 PolarHBondContact O-N 2.9Å; V36-K38 VanDerWaalsContact C-N 3.32Å; V36-K38 PolarHBondContact O-N 3.35Å; K38-K41 PolarHBondContact O-N 2.78Å; K38-H42 VanDerWaalsContact O-CB 3.28Å; K38-H42 WeakPolarHBondContact O-CB 3.38Å; K38-H42 PolarHBondContact O-N 3.37Å; K38-N70 PolarHBondContact NZ-OD1 3.36Å; K38-C71 VanDerWaalsContact CB-SG 3.56Å |
| 39 | I | 89.1 | Confident | 82.7 | Confident | 5 Ų | 5 | 54.1 Ų | 54.1 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 176.7 | -66.1 | 168.6 | 0 | 0 | 0 | 110.4 | V35 V36 H42 Y43 Y110 Y142 | V35-I39 HydrophobicContact CG1-CD1 3.93Å; V35-I39 VanDerWaalsContact O-CG1 3.32Å; V35-I39 WeakPolarHBondContact O-CG1 3.44Å; V35-I39 PolarHBondContact O-N 3.46Å; V36-I39 PolarHBondContact O-N 3Å; I39-H42 PolarHBondContact O-N 3.31Å; I39-Y43 PolarHBondContact O-N 2.89Å; I39-Y110 HydrophobicContact CB-CD2 4.48Å; I39-Y110 HydrophobicContact CB-CE2 4.38Å; I39-Y110 HydrophobicContact CD1-CD1 4.32Å; I39-Y110 HydrophobicContact CD1-CD2 4.21Å; I39-Y110 HydrophobicContact CD1-CG 3.99Å; I39-Y110 HydrophobicContact CG1-CD1 4.19Å; I39-Y110 HydrophobicContact CG1-CD2 3.85Å; I39-Y110 HydrophobicContact CG1-CE1 4.22Å; I39-Y110 HydrophobicContact CG1-CE2 3.88Å; I39-Y110 HydrophobicContact CG1-CG 4Å; I39-Y110 HydrophobicContact CG2-CD2 3.97Å; I39-Y110 HydrophobicContact CG2-CE2 4.11Å; I39-Y142 HydrophobicContact CG2-CD1 3.71Å; I39-Y142 HydrophobicContact CG2-CD2 4.47Å; I39-Y142 HydrophobicContact CG2-CE1 4.4Å; I39-Y142 HydrophobicContact CG2-CG 3.75Å |
| 40 | I | 87.3 | Confident | 81.3 | Confident | 60 Ų | 60 | 58.7 Ų | 58.7 | 31% | 0.308 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 177.1 | -64 | 165.3 | 0 | 0 | 0 | 110.6 | V36 L37 H42 Y43 Q44 Y142 | V36-I40 HydrophobicContact CG1-CD1 3.89Å; V36-I40 VanDerWaalsContact O-CG1 3.27Å; V36-I40 WeakPolarHBondContact O-CG1 3.38Å; V36-I40 PolarHBondContact O-N 2.89Å; L37-I40 PolarHBondContact O-N 3.45Å; I40-H42 VanDerWaalsContact C-N 3.33Å; I40-H42 PolarHBondContact O-N 2.85Å; I40-Y43 PolarHBondContact O-N 2.94Å; I40-Q44 PolarHBondContact O-N 2.82Å; I40-Y142 HydrophobicContact CG1-CE2 4.2Å |
| 41 | K | 87.8 | Confident | 80.3 | Confident | 121 Ų | 121 | 63.8 Ų | 63.8 | 53% | 0.526 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.1 | -45.8 | 177.9 | -177.2 | -176.5 | 172.4 | -170.5 | 0 | 111.2 | L37 K38 Y43 Q44 E45 | L37-K41 VanDerWaalsContact O-CB 3.29Å; L37-K41 WeakPolarHBondContact O-CB 3.33Å; L37-K41 PolarHBondContact O-N 3.04Å; K38-K41 PolarHBondContact O-N 2.78Å; K41-Y43 VanDerWaalsContact C-N 3.33Å; K41-Y43 PolarHBondContact O-N 2.97Å; K41-Q44 WeakPolarHBondContact O-CB 3.36Å; K41-Q44 PolarHBondContact O-N 3.13Å; K41-E45 WeakPolarHBondContact CE-OE1 3.27Å; K41-E45 VanDerWaalsContact CE-OE2 3.32Å; K41-E45 WeakPolarHBondContact CE-OE2 3.39Å; K41-E45 HydrophobicContact CG-CG 4.43Å; K41-E45 IonicContact NZ-OE1 3.57Å; K41-E45 PolarHBondContact NZ-OE1 3.4Å; K41-E45 IonicContact NZ-OE2 3.75Å; K41-E45 PolarHBondContact O-N 2.98Å |
| 42 | H | 85.9 | Confident | 79.7 | Confident | 8 Ų | 8 | 66.9 Ų | 66.9 | 4% | 0.037 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.2 | -44.8 | 178.6 | -176.9 | -163.4 | 0 | 0 | 0 | 111.5 | K38 I39 I40 Q44 E45 E46 V53 Q54 P73 Y110 | K38-H42 VanDerWaalsContact O-CB 3.28Å; K38-H42 WeakPolarHBondContact O-CB 3.38Å; K38-H42 PolarHBondContact O-N 3.37Å; I39-H42 PolarHBondContact O-N 3.31Å; I40-H42 VanDerWaalsContact C-N 3.33Å; I40-H42 PolarHBondContact O-N 2.85Å; H42-Q44 VanDerWaalsContact C-N 3.31Å; H42-Q44 PolarHBondContact O-N 3.36Å; H42-E45 PolarHBondContact O-N 2.93Å; H42-E46 IonicContact CD2-OE1 2.71Å; H42-E46 IonicContact CD2-OE2 2.72Å; H42-E46 VanDerWaalsContact NE2-CD 3.33Å; H42-E46 IonicContact NE2-OE1 2.98Å; H42-E46 IonicContact NE2-OE2 2.99Å; H42-E46 PolarHBondContact NE2-OE2 3.39Å; H42-E46 VanDerWaalsContact NE2-OE2 3.12Å; H42-E46 PolarHBondContact O-N 3.48Å; H42-V53 WeakPolarHBondContact CE1-CG1 3.38Å; H42-V53 VanDerWaalsContact CG-CG1 3.48Å; H42-V53 WeakPolarHBondContact ND1-CG1 3.33Å; H42-V53 WeakPolarHBondContact NE2-CG1 3.47Å; H42-Q54 PolarHBondContact CE1-O 2.88Å; H42-P73 WeakPolarHBondContact CE1-CB 3.43Å; H42-P73 VanDerWaalsContact ND1-CB 3.29Å; H42-P73 WeakPolarHBondContact ND1-CB 3.33Å; H42-P73 VanDerWaalsContact NE2-CB 3.29Å; H42-P73 WeakPolarHBondContact NE2-CB 3.24Å; H42-Y110 AromaticContact ND1-CE2 3.78Å; H42-Y110 AromaticContact ND1-CZ 3.72Å; H42-Y110 PolarHBondContact ND1-OH 2.83Å |
| 43 | Y | 82.7 | Confident | 79.3 | Confident | 48 Ų | 48 | 64.5 Ų | 64.5 | 19% | 0.188 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.4 | -35.7 | 174 | -178.4 | -100 | 0 | 0 | 0 | 112.9 | I39 I40 K41 G47 V53 Y142 P144 | I39-Y43 PolarHBondContact O-N 2.89Å; I40-Y43 PolarHBondContact O-N 2.94Å; K41-Y43 VanDerWaalsContact C-N 3.33Å; K41-Y43 PolarHBondContact O-N 2.97Å; Y43-G47 WeakPolarHBondContact CE2-O 3.39Å; Y43-G47 CarbonylContact O-C 3.59Å; Y43-G47 WeakPolarHBondContact O-CA 3.47Å; Y43-G47 PolarHBondContact O-N 2.84Å; Y43-V53 HydrophobicContact CD2-CG2 4.36Å; Y43-Y142 HydrophobicContact CG-CE1 4.31Å; Y43-P144 HydrophobicContact CD1-CB 3.43Å; Y43-P144 VanDerWaalsContact CD1-CB 3.43Å; Y43-P144 HydrophobicContact CD1-CG 4Å; Y43-P144 HydrophobicContact CD2-CB 4.25Å; Y43-P144 HydrophobicContact CD2-CG 3.95Å; Y43-P144 HydrophobicContact CE1-CB 3.17Å; Y43-P144 HydrophobicContact CE1-CG 3.53Å; Y43-P144 HydrophobicContact CE2-CB 4.07Å; Y43-P144 HydrophobicContact CE2-CG 3.5Å; Y43-P144 VanDerWaalsContact CE2-CG 3.5Å; Y43-P144 HydrophobicContact CG-CB 3.96Å; Y43-P144 HydrophobicContact CG-CG 4.18Å |
| 44 | Q | 81.3 | Confident | 79.3 | Confident | 128 Ų | 128 | 66.9 Ų | 66.9 | 60% | 0.598 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -70.2 | -34.6 | 178.8 | -170 | 64.7 | 23.5 | 0 | 0 | 113 | I40 K41 H42 | I40-Q44 PolarHBondContact O-N 2.82Å; K41-Q44 WeakPolarHBondContact O-CB 3.36Å; K41-Q44 PolarHBondContact O-N 3.13Å; H42-Q44 VanDerWaalsContact C-N 3.31Å; H42-Q44 PolarHBondContact O-N 3.36Å |
| 45 | E | 81.4 | Confident | 79.3 | Confident | 122 Ų | 122 | 63.2 Ų | 63.2 | 57% | 0.57 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -81.9 | -45.9 | -178.9 | -70.8 | 179.9 | 160.8 | 0 | 0 | 112.1 | K41 H42 | K41-E45 WeakPolarHBondContact CE-OE1 3.27Å; K41-E45 VanDerWaalsContact CE-OE2 3.32Å; K41-E45 WeakPolarHBondContact CE-OE2 3.39Å; K41-E45 HydrophobicContact CG-CG 4.43Å; K41-E45 IonicContact NZ-OE1 3.57Å; K41-E45 PolarHBondContact NZ-OE1 3.4Å; K41-E45 IonicContact NZ-OE2 3.75Å; K41-E45 PolarHBondContact O-N 2.98Å; H42-E45 PolarHBondContact O-N 2.93Å |
| 46 | E | 73.2 | Confident | 79.3 | Confident | 64 Ų | 64 | 63.2 Ų | 63.2 | 30% | 0.299 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -108.7 | -17.5 | -173.5 | -62.1 | -169.9 | -166.8 | 0 | 0 | 113.9 | H42 Q48 Q76 | H42-E46 IonicContact CD2-OE1 2.71Å; H42-E46 IonicContact CD2-OE2 2.72Å; H42-E46 VanDerWaalsContact NE2-CD 3.33Å; H42-E46 IonicContact NE2-OE1 2.98Å; H42-E46 IonicContact NE2-OE2 2.99Å; H42-E46 PolarHBondContact NE2-OE2 3.39Å; H42-E46 VanDerWaalsContact NE2-OE2 3.12Å; H42-E46 PolarHBondContact O-N 3.48Å; E46-Q48 VanDerWaalsContact C-N 3.35Å; E46-Q48 PolarHBondContact O-N 2.91Å; E46-Q76 PolarHBondContact O-NE2 3.32Å; E46-Q76 VanDerWaalsContact O-NE2 3.1Å |
| 47 | G | 62.2 | Low | 79.4 | Confident | 3 Ų | 3 | 62.7 Ų | 62.7 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | trans | -90.5 | 21.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y43 G49 | Y43-G47 WeakPolarHBondContact CE2-O 3.39Å; Y43-G47 CarbonylContact O-C 3.59Å; Y43-G47 WeakPolarHBondContact O-CA 3.47Å; Y43-G47 PolarHBondContact O-N 2.84Å; G47-G49 PolarHBondContact O-N 3.36Å | ||
| 48 | Q | 60 | Low | 79.5 | Confident | 172 Ų | 172 | 57.1 Ų | 57.1 | 80% | 0.804 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -69.3 | -5.9 | 177.3 | -70.1 | -176.3 | 8.5 | 0 | 0 | 113.5 | E46 | E46-Q48 VanDerWaalsContact C-N 3.35Å; E46-Q48 PolarHBondContact O-N 2.91Å |
| 49 | G | 56.1 | Low | 79.4 | Confident | 42 Ų | 42 | 53.5 Ų | 53.5 | 43% | 0.433 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -106.2 | -175.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | G47 E51 | G47-G49 PolarHBondContact O-N 3.36Å; G49-E51 PolarHBondContact O-N 3.4Å |
| 50 | S | 60.5 | Low | 79.3 | Confident | 96 Ų | 96 | 56.7 Ų | 56.7 | 67% | 0.671 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -76.3 | 11.5 | 169 | -171.8 | 0 | 0 | 0 | 0 | 112.6 | ||
| 51 | E | 68.2 | Low | 79.2 | Confident | 119 Ų | 119 | 55.8 Ų | 55.8 | 56% | 0.556 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -88.4 | 145.2 | -171.5 | -68.8 | -174.5 | -175.4 | 0 | 0 | 111.7 | G49 Q76 | G49-E51 PolarHBondContact O-N 3.4Å; E51-Q76 PolarHBondContact OE2-OE1 3.32Å; E51-Q76 VanDerWaalsContact OE2-OE1 3.13Å |
| 52 | V | 77.4 | Confident | 78.9 | Confident | 67 Ų | 67 | 52.6 Ų | 52.6 | 41% | 0.406 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -88.4 | 124.2 | -176.4 | 174.7 | 0 | 0 | 0 | 0 | 108.6 | Q111 S112 | V52-Q111 HydrophobicContact CG1-CG 3.21Å; V52-S112 WeakPolarHBondContact CG1-O 3.48Å |
| 53 | V | 81.6 | Confident | 78.7 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.018 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -93.1 | 130.9 | -178.8 | 178.9 | 0 | 0 | 0 | 0 | 108 | H42 Y43 Q111 S112 | H42-V53 WeakPolarHBondContact CE1-CG1 3.38Å; H42-V53 VanDerWaalsContact CG-CG1 3.48Å; H42-V53 WeakPolarHBondContact ND1-CG1 3.33Å; H42-V53 WeakPolarHBondContact NE2-CG1 3.47Å; Y43-V53 HydrophobicContact CD2-CG2 4.36Å; V53-Q111 CarbonylContact O-C 3.45Å; V53-Q111 WeakPolarHBondContact O-CA 3.43Å; V53-S112 WeakPolarHBondContact CB-OG 3.43Å; V53-S112 PolarHBondContact N-OG 3.43Å; V53-S112 PolarHBondContact O-N 3.43Å |
| 54 | Q | 86.1 | Confident | 78.6 | Confident | 64 Ų | 64 | 59.9 Ų | 59.9 | 30% | 0.299 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 155.1 | -176.4 | 59.1 | -178.6 | -4.1 | 0 | 0 | 111.6 | H42 F74 Y110 | H42-Q54 PolarHBondContact CE1-O 2.88Å; Q54-F74 HydrophobicContact CG-CB 4.2Å; Q54-F74 HydrophobicContact CG-CD2 4.47Å; Q54-F74 PolarHBondContact O-N 3.47Å; Q54-Y110 WeakPolarHBondContact CA-O 3.35Å |
| 55 | G | 88.3 | Confident | 78.7 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.3 | 171.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | F72 W109 Y110 | G55-F72 CarbonylContact C-O 3.46Å; G55-F72 WeakPolarHBondContact CA-O 3.47Å; G55-W109 CarbonylContact O-C 3.56Å; G55-W109 VanDerWaalsContact O-CA 3.22Å; G55-W109 WeakPolarHBondContact O-CA 3.43Å; G55-W109 VanDerWaalsContact O-CB 3.23Å; G55-W109 WeakPolarHBondContact O-CB 3.08Å; G55-Y110 VanDerWaalsContact C-CE1 3.45Å; G55-Y110 VanDerWaalsContact CA-CE1 3.41Å; G55-Y110 PolarHBondContact N-O 3.42Å; G55-Y110 VanDerWaalsContact O-CD1 3.31Å; G55-Y110 WeakPolarHBondContact O-CD1 3.32Å; G55-Y110 PolarHBondContact O-N 2.99Å |
| 56 | V | 89.7 | Confident | 79 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 153.3 | -178.2 | -56.6 | 0 | 0 | 0 | 0 | 112.3 | L58 C71 F72 F74 | V56-L58 HydrophobicContact CG2-CD2 4.48Å; V56-C71 VanDerWaalsContact O-CA 3.27Å; V56-C71 WeakPolarHBondContact O-CA 3.33Å; V56-C71 VanDerWaalsContact O-CB 3.26Å; V56-C71 WeakPolarHBondContact O-CB 3.35Å; V56-F72 HydrophobicContact CG2-CD1 3.52Å; V56-F72 HydrophobicContact CG2-CD2 3.72Å; V56-F72 HydrophobicContact CG2-CE1 3.19Å; V56-F72 HydrophobicContact CG2-CE2 3.39Å; V56-F72 HydrophobicContact CG2-CG 3.8Å; V56-F72 HydrophobicContact CG2-CZ 3.14Å; V56-F72 PolarHBondContact N-O 3.15Å; V56-F72 PolarHBondContact O-N 2.87Å; V56-F74 HydrophobicContact CG1-CD2 4.23Å; V56-F74 HydrophobicContact CG1-CE2 3.29Å; V56-F74 HydrophobicContact CG1-CZ 3.49Å; V56-F74 VanDerWaalsContact CG1-CZ 3.49Å |
| 57 | L | 90.8 | Very high | 79.8 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 135.3 | 176.1 | -58.9 | 168.8 | 0 | 0 | 0 | 109.2 | V35 I68 C71 V107 G108 W109 Y110 L140 | V35-L57 HydrophobicContact CG1-CD2 4.16Å; L57-I68 HydrophobicContact CB-CG2 4.18Å; L57-I68 HydrophobicContact CD1-CD1 4.17Å; L57-I68 HydrophobicContact CD2-CG2 4.16Å; L57-C71 HydrophobicContact CD2-CB 3.86Å; L57-V107 HydrophobicContact CB-CG2 4.1Å; L57-V107 WeakPolarHBondContact O-CG2 3.04Å; L57-V107 PolarHBondContact O-N 3.15Å; L57-G108 WeakPolarHBondContact CB-O 3.46Å; L57-G108 PolarHBondContact N-O 3.41Å; L57-W109 WeakPolarHBondContact CD1-O 3.4Å; L57-Y110 HydrophobicContact CD2-CD1 3.7Å; L57-Y110 HydrophobicContact CD2-CG 4.36Å; L57-Y110 HydrophobicContact CG-CD1 4.2Å; L57-L140 HydrophobicContact CD1-CB 3.99Å; L57-L140 HydrophobicContact CD1-CD1 3.42Å; L57-L140 VanDerWaalsContact CD1-CD1 3.42Å; L57-L140 HydrophobicContact CD1-CG 3.54Å; L57-L140 HydrophobicContact CD2-CD1 3.8Å; L57-L140 HydrophobicContact CG-CD1 4.26Å |
| 58 | L | 89.5 | Confident | 81.1 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 138.1 | 179.7 | -54.3 | 173 | 0 | 0 | 0 | 109.5 | V56 I68 T69 N70 F72 M94 L97 L105 | V56-L58 HydrophobicContact CG2-CD2 4.48Å; L58-I68 WeakPolarHBondContact O-CG2 3.49Å; L58-T69 PolarHBondContact O-N 2.81Å; L58-N70 WeakPolarHBondContact CA-O 3.3Å; L58-N70 HydrophobicContact CB-CB 4.31Å; L58-N70 WeakPolarHBondContact CB-O 3.39Å; L58-N70 HydrophobicContact CD1-CB 4.36Å; L58-N70 PolarHBondContact N-O 3.21Å; L58-N70 PolarHBondContact O-N 3.2Å; L58-N70 VanDerWaalsContact O-O 3.08Å; L58-F72 HydrophobicContact CD1-CD1 3.78Å; L58-F72 HydrophobicContact CD1-CE1 3.92Å; L58-F72 HydrophobicContact CD2-CE1 4.14Å; L58-F72 HydrophobicContact CG-CD1 4.35Å; L58-F72 HydrophobicContact CG-CE1 4.32Å; L58-M94 HydrophobicContact CD2-CE 3.34Å; L58-M94 HydrophobicContact CD2-SD 3.71Å; L58-L97 HydrophobicContact CD1-CD1 3.45Å; L58-L97 VanDerWaalsContact CD1-CD1 3.45Å; L58-L97 HydrophobicContact CD1-CD2 4.15Å; L58-L97 HydrophobicContact CD1-CG 4.4Å; L58-L105 VanDerWaalsContact CA-O 3.24Å; L58-L105 WeakPolarHBondContact CA-O 3.3Å |
| 59 | G | 88.1 | Confident | 82.4 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179 | -178 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | E67 L105 V107 | G59-E67 CarbonylContact C-O 3.5Å; G59-E67 WeakPolarHBondContact CA-O 3.28Å; G59-L105 PolarHBondContact N-O 3.45Å; G59-L105 WeakPolarHBondContact O-CB 3.4Å; G59-V107 VanDerWaalsContact O-CG1 3.28Å; G59-V107 WeakPolarHBondContact O-CG1 3.39Å |
| 60 | L | 87.6 | Confident | 84 | Confident | 72 Ų | 72 | 44.8 Ų | 44.8 | 38% | 0.377 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 143.8 | 178 | -172.5 | 82.8 | 0 | 0 | 0 | 108.5 | V62 E67 L105 | L60-V62 HydrophobicContact CD2-CG2 3.61Å; L60-V62 HydrophobicContact CG-CG2 4.21Å; L60-E67 PolarHBondContact N-O 3.21Å; L60-E67 PolarHBondContact O-N 3.02Å; L60-L105 HydrophobicContact CD1-CD1 3.54Å |
| 61 | V | 84.6 | Confident | 85.4 | Confident | 41 Ų | 41 | 40.3 Ų | 40.3 | 25% | 0.248 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 123 | 168.3 | -170.7 | 0 | 0 | 0 | 0 | 108.6 | V26 L66 E136 | V26-V61 HydrophobicContact CG2-CG1 4.31Å; V61-L66 HydrophobicContact CG2-CD1 3.53Å; V61-E136 WeakPolarHBondContact CG1-OE1 3.21Å; V61-E136 HydrophobicContact CG2-CB 4.23Å; V61-E136 VanDerWaalsContact CG2-CD 3.49Å; V61-E136 HydrophobicContact CG2-CG 4.43Å; V61-E136 WeakPolarHBondContact CG2-OE2 3.45Å |
| 62 | V | 82.5 | Confident | 86.3 | Confident | 54 Ų | 54 | 35.2 Ų | 35.2 | 33% | 0.327 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 110.1 | 176.1 | -175.7 | 0 | 0 | 0 | 0 | 107.9 | L60 D64 R65 E67 | L60-V62 HydrophobicContact CD2-CG2 3.61Å; L60-V62 HydrophobicContact CG-CG2 4.21Å; V62-D64 PolarHBondContact O-N 3.27Å; V62-R65 PolarHBondContact N-O 2.87Å; V62-R65 PolarHBondContact O-N 2.85Å; V62-R65 VanDerWaalsContact O-O 3.13Å; V62-E67 HydrophobicContact CG2-CG 4.46Å |
| 63 | D | 80.3 | Confident | 86.7 | Confident | 161 Ų | 161 | 34.3 Ų | 34.3 | 86% | 0.861 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | -100.6 | -177.5 | -57.6 | -41.8 | 0 | 0 | 0 | 113.3 | ||
| 64 | D | 80.8 | Confident | 86.8 | Confident | 48 Ų | 48 | 34.7 Ų | 34.7 | 26% | 0.257 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 10.4 | -175.3 | -160.9 | 34.5 | 0 | 0 | 0 | 111.6 | K27 V62 | K27-D64 VanDerWaalsContact CD-OD2 3.26Å; K27-D64 WeakPolarHBondContact CD-OD2 3.41Å; K27-D64 WeakPolarHBondContact CG-OD1 3.27Å; K27-D64 WeakPolarHBondContact CG-OD2 3.42Å; K27-D64 PolarHBondContact N-O 2.93Å; K27-D64 VanDerWaalsContact N-O 3.12Å; K27-D64 IonicContact NZ-OD1 3.12Å; K27-D64 PolarHBondContact NZ-OD1 3.37Å; K27-D64 IonicContact NZ-OD2 3.69Å; K27-D64 PolarHBondContact NZ-OD2 3.38Å; V62-D64 PolarHBondContact O-N 3.27Å |
| 65 | R | 84.7 | Confident | 86.2 | Confident | 116 Ų | 116 | 33.5 Ų | 33.5 | 44% | 0.438 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 132.8 | -172.1 | -55.1 | -173.8 | -179.4 | -153.5 | -6.8 | 111.3 | Q28 V62 | Q28-R65 HydrophobicContact CB-CG 4.42Å; Q28-R65 VanDerWaalsContact O-CA 3.29Å; Q28-R65 WeakPolarHBondContact O-CA 3.47Å; V62-R65 PolarHBondContact N-O 2.87Å; V62-R65 PolarHBondContact O-N 2.85Å; V62-R65 VanDerWaalsContact O-O 3.13Å |
| 66 | L | 87.7 | Confident | 85.1 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 111.9 | 172.6 | -177.7 | 66.1 | 0 | 0 | 0 | 109.1 | V26 Q28 I29 Q30 V61 I68 V107 V138 | V26-L66 HydrophobicContact CG1-CB 3.59Å; V26-L66 HydrophobicContact CG2-CB 4.45Å; Q28-L66 PolarHBondContact O-N 3.45Å; I29-L66 CarbonylContact C-O 3.56Å; I29-L66 WeakPolarHBondContact CA-O 3.32Å; I29-L66 HydrophobicContact CG1-CB 4.3Å; I29-L66 HydrophobicContact CG1-CD2 4.39Å; Q30-L66 PolarHBondContact N-O 3.5Å; V61-L66 HydrophobicContact CG2-CD1 3.53Å; L66-I68 HydrophobicContact CD2-CD1 4.45Å; L66-I68 HydrophobicContact CD2-CG1 4.39Å; L66-I68 HydrophobicContact CG-CG1 4.24Å; L66-V107 HydrophobicContact CD1-CB 3.85Å; L66-V107 HydrophobicContact CD1-CG1 3.86Å; L66-V107 HydrophobicContact CD1-CG2 4.36Å; L66-V107 HydrophobicContact CD2-CB 4.39Å; L66-V138 HydrophobicContact CD2-CB 4.17Å; L66-V138 HydrophobicContact CD2-CG2 3.7Å |
| 67 | E | 88.4 | Confident | 83.7 | Confident | 54 Ų | 54 | 40.4 Ų | 40.4 | 25% | 0.252 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 109.9 | 177 | -58.3 | -158.2 | 150.1 | 0 | 0 | 109.9 | Q30 G59 L60 V62 K196 | Q30-E67 HydrophobicContact CB-CG 4.2Å; Q30-E67 PolarHBondContact NE2-OE1 3.48Å; Q30-E67 WeakPolarHBondContact O-CA 3.39Å; Q30-E67 PolarHBondContact OE1-OE1 2.85Å; G59-E67 CarbonylContact C-O 3.5Å; G59-E67 WeakPolarHBondContact CA-O 3.28Å; L60-E67 PolarHBondContact N-O 3.21Å; L60-E67 PolarHBondContact O-N 3.02Å; V62-E67 HydrophobicContact CG2-CG 4.46Å; E67-K196 IonicContact OE1-NZ 2.58Å |
| 68 | I | 90.5 | Very high | 81.9 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 107.4 | 176.6 | -51.8 | -179.1 | 0 | 0 | 0 | 108 | I29 Q30 I31 E32 V35 L57 L58 L66 V107 L140 | I29-I68 HydrophobicContact CG2-CD1 3.57Å; I29-I68 HydrophobicContact CG2-CG1 4.02Å; Q30-I68 PolarHBondContact O-N 3.46Å; I31-I68 HydrophobicContact CD1-CD1 4.48Å; I31-I68 HydrophobicContact CG1-CD1 4.22Å; E32-I68 PolarHBondContact N-O 3.11Å; E32-I68 VanDerWaalsContact N-O 3.07Å; V35-I68 HydrophobicContact CG1-CG2 4.13Å; V35-I68 HydrophobicContact CG2-CG2 4.05Å; L57-I68 HydrophobicContact CB-CG2 4.18Å; L57-I68 HydrophobicContact CD1-CD1 4.17Å; L57-I68 HydrophobicContact CD2-CG2 4.16Å; L58-I68 WeakPolarHBondContact O-CG2 3.49Å; L66-I68 HydrophobicContact CD2-CD1 4.45Å; L66-I68 HydrophobicContact CD2-CG1 4.39Å; L66-I68 HydrophobicContact CG-CG1 4.24Å; I68-V107 HydrophobicContact CG1-CG2 4.38Å; I68-L140 HydrophobicContact CD1-CD1 3.94Å |
| 69 | T | 88.1 | Confident | 80 | Confident | 32 Ų | 32 | 54.1 Ų | 54.1 | 20% | 0.196 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -34 | -176 | 55.5 | 0 | 0 | 0 | 0 | 111.7 | V35 L58 | V35-T69 WeakPolarHBondContact CG2-O 3.42Å; L58-T69 PolarHBondContact O-N 2.81Å |
| 70 | N | 89.4 | Confident | 78.2 | Confident | 10 Ų | 10 | 61.6 Ų | 61.6 | 5% | 0.053 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 162.1 | -174.7 | -155.6 | 2.7 | 0 | 0 | 0 | 112.9 | K38 L58 L97 I102 | K38-N70 PolarHBondContact NZ-OD1 3.36Å; L58-N70 WeakPolarHBondContact CA-O 3.3Å; L58-N70 HydrophobicContact CB-CB 4.31Å; L58-N70 WeakPolarHBondContact CB-O 3.39Å; L58-N70 HydrophobicContact CD1-CB 4.36Å; L58-N70 PolarHBondContact N-O 3.21Å; L58-N70 PolarHBondContact O-N 3.2Å; L58-N70 VanDerWaalsContact O-O 3.08Å; N70-L97 WeakPolarHBondContact ND2-CD2 3.36Å; N70-I102 HydrophobicContact CB-CG2 4.26Å |
| 71 | C | 89.3 | Confident | 76.6 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.014 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 154.5 | 171.8 | 68.2 | 0 | 0 | 0 | 0 | 109.8 | V35 K38 V56 L57 Y110 | V35-C71 HydrophobicContact CG1-CB 4.02Å; K38-C71 VanDerWaalsContact CB-SG 3.56Å; V56-C71 VanDerWaalsContact O-CA 3.27Å; V56-C71 WeakPolarHBondContact O-CA 3.33Å; V56-C71 VanDerWaalsContact O-CB 3.26Å; V56-C71 WeakPolarHBondContact O-CB 3.35Å; L57-C71 HydrophobicContact CD2-CB 3.86Å; C71-Y110 HydrophobicContact CB-CD1 4.37Å; C71-Y110 HydrophobicContact CB-CE1 4.01Å |
| 72 | F | 87.8 | Confident | 75 | Confident | 12 Ų | 12 | 65.4 Ų | 65.4 | 5% | 0.053 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 142.8 | 167.4 | 62.2 | -97.8 | 0 | 0 | 0 | 111.1 | G55 V56 L58 Y89 Q90 M93 M94 L97 | G55-F72 CarbonylContact C-O 3.46Å; G55-F72 WeakPolarHBondContact CA-O 3.47Å; V56-F72 HydrophobicContact CG2-CD1 3.52Å; V56-F72 HydrophobicContact CG2-CD2 3.72Å; V56-F72 HydrophobicContact CG2-CE1 3.19Å; V56-F72 HydrophobicContact CG2-CE2 3.39Å; V56-F72 HydrophobicContact CG2-CG 3.8Å; V56-F72 HydrophobicContact CG2-CZ 3.14Å; V56-F72 PolarHBondContact N-O 3.15Å; V56-F72 PolarHBondContact O-N 2.87Å; L58-F72 HydrophobicContact CD1-CD1 3.78Å; L58-F72 HydrophobicContact CD1-CE1 3.92Å; L58-F72 HydrophobicContact CD2-CE1 4.14Å; L58-F72 HydrophobicContact CG-CD1 4.35Å; L58-F72 HydrophobicContact CG-CE1 4.32Å; F72-Y89 HydrophobicContact CD2-CE1 4.23Å; F72-Y89 HydrophobicContact CE2-CE1 4.25Å; F72-Q90 HydrophobicContact CZ-CG 4.15Å; F72-M93 HydrophobicContact CB-CG 4.23Å; F72-M93 HydrophobicContact CD1-CG 3.7Å; F72-M93 HydrophobicContact CD2-CB 4.3Å; F72-M93 HydrophobicContact CD2-CG 3.65Å; F72-M93 HydrophobicContact CE1-CB 4.25Å; F72-M93 HydrophobicContact CE1-CG 3.75Å; F72-M93 HydrophobicContact CE2-CB 3.88Å; F72-M93 HydrophobicContact CE2-CG 3.71Å; F72-M93 HydrophobicContact CG-CG 3.62Å; F72-M93 HydrophobicContact CZ-CB 3.83Å; F72-M93 HydrophobicContact CZ-CG 3.74Å; F72-M94 HydrophobicContact CE1-CE 4.11Å; F72-M94 HydrophobicContact CE1-SD 4.22Å; F72-M94 HydrophobicContact CZ-CE 4.25Å; F72-L97 HydrophobicContact CD1-CD1 3.72Å; F72-L97 HydrophobicContact CE1-CD1 3.78Å |
| 73 | P | 86.1 | Confident | 73.7 | Confident | 47 Ų | 47 | 70.5 Ų | 70.5 | 31% | 0.305 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 147.3 | 177.9 | 31.1 | -37 | 0 | 0 | 0 | 111.6 | H42 Y110 | H42-P73 WeakPolarHBondContact CE1-CB 3.43Å; H42-P73 VanDerWaalsContact ND1-CB 3.29Å; H42-P73 WeakPolarHBondContact ND1-CB 3.33Å; H42-P73 VanDerWaalsContact NE2-CB 3.29Å; H42-P73 WeakPolarHBondContact NE2-CB 3.24Å; P73-Y110 WeakPolarHBondContact CA-OH 3.29Å |
| 74 | F | 82.7 | Confident | 72.7 | Confident | 12 Ų | 12 | 66.4 Ų | 66.4 | 5% | 0.053 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -89.7 | 128.2 | 156.4 | -78.9 | -60.2 | 0 | 0 | 0 | 108.1 | Q54 V56 Y89 Q90 | Q54-F74 HydrophobicContact CG-CB 4.2Å; Q54-F74 HydrophobicContact CG-CD2 4.47Å; Q54-F74 PolarHBondContact O-N 3.47Å; V56-F74 HydrophobicContact CG1-CD2 4.23Å; V56-F74 HydrophobicContact CG1-CE2 3.29Å; V56-F74 HydrophobicContact CG1-CZ 3.49Å; V56-F74 VanDerWaalsContact CG1-CZ 3.49Å; F74-Y89 HydrophobicContact CD1-CD1 4Å; F74-Y89 HydrophobicContact CD1-CE1 4.26Å; F74-Y89 HydrophobicContact CE1-CD1 4.19Å; F74-Q90 HydrophobicContact CE1-CB 4.38Å |
| 75 | P | 73.9 | Confident | 72.1 | Confident | 39 Ų | 39 | 68.1 Ų | 68.1 | 25% | 0.253 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 144.9 | 171.5 | 25.8 | -31.4 | 0 | 0 | 0 | 109.9 | F84 | P75-F84 HydrophobicContact CG-CE1 3.95Å; P75-F84 HydrophobicContact CG-CE2 4.19Å; P75-F84 HydrophobicContact CG-CZ 3.49Å; P75-F84 VanDerWaalsContact CG-CZ 3.49Å |
| 76 | Q | 65.3 | Low | 71.4 | Confident | 60 Ų | 60 | 66.2 Ų | 66.2 | 28% | 0.28 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 137.3 | 176 | -69.7 | 173.3 | -0.9 | 0 | 0 | 111.1 | E46 E51 T78 | E46-Q76 PolarHBondContact O-NE2 3.32Å; E46-Q76 VanDerWaalsContact O-NE2 3.1Å; E51-Q76 PolarHBondContact OE2-OE1 3.32Å; E51-Q76 VanDerWaalsContact OE2-OE1 3.13Å; Q76-T78 PolarHBondContact O-N 2.94Å; Q76-T78 VanDerWaalsContact O-N 3.16Å |
| 77 | H | 59 | Low | 70.8 | Confident | 85 Ų | 85 | 69.8 Ų | 69.8 | 39% | 0.394 | 38% | 0.379 | S | S | . | . | trans | -74.2 | 99.5 | 168 | -68.3 | -80.3 | 0 | 0 | 0 | 109 | F84 E86 | H77-F84 AromaticContact CE1-CD1 3.64Å; H77-E86 IonicContact CD2-OE1 3.89Å; H77-E86 IonicContact CE1-OE1 3.42Å; H77-E86 WeakPolarHBondContact NE2-CG 3.2Å; H77-E86 IonicContact NE2-OE1 3.98Å; H77-E86 PolarHBondContact NE2-OE1 3.23Å | ||
| 78 | T | 52.9 | Low | 70.5 | Confident | 88 Ų | 88 | 72.9 Ų | 72.9 | 54% | 0.54 | 39% | 0.394 | S | S | . | . | trans | -68.2 | 137 | 158.4 | 28.8 | 0 | 0 | 0 | 0 | 108.5 | Q76 D80 D81 | Q76-T78 PolarHBondContact O-N 2.94Å; Q76-T78 VanDerWaalsContact O-N 3.16Å; T78-D80 PolarHBondContact O-N 3.01Å; T78-D81 PolarHBondContact O-N 3.42Å | ||
| 79 | E | 50.8 | Low | 70.1 | Confident | 201 Ų | 201 | 75.7 Ų | 75.7 | 94% | 0.939 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -7.7 | -175.3 | -63 | -174.8 | 149.9 | 0 | 0 | 115 | ||
| 80 | D | 50.2 | Low | 69.7 | Low | 158 Ų | 158 | 76.1 Ų | 76.1 | 85% | 0.845 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -9.1 | 174.9 | -74.1 | -35.5 | 0 | 0 | 0 | 114.9 | T78 | T78-D80 PolarHBondContact O-N 3.01Š|
| 81 | D | 53.3 | Low | 69.4 | Low | 91 Ų | 91 | 80.8 Ų | 80.8 | 49% | 0.487 | 43% | 0.427 | S | S | . | . | trans | -105.6 | 57.9 | -177.2 | -81.2 | -45.4 | 0 | 0 | 0 | 112.9 | T78 D83 F84 | T78-D81 PolarHBondContact O-N 3.42Å; D81-D83 PolarHBondContact O-N 3.43Å; D81-F84 HydrophobicContact CB-CB 4.36Å; D81-F84 PolarHBondContact O-N 3.32Å | ||
| 82 | A | 52.3 | Low | 69.2 | Low | 102 Ų | 102 | 86.2 Ų | 86.2 | 84% | 0.843 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -8.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 83 | D | 54.8 | Low | 68.9 | Low | 161 Ų | 161 | 88.1 Ų | 88.1 | 86% | 0.861 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | 7.1 | -179.1 | -70.2 | -35.4 | 0 | 0 | 0 | 113.7 | D81 D85 | D81-D83 PolarHBondContact O-N 3.43Å; D83-D85 PolarHBondContact O-N 3.47Å |
| 84 | F | 58.6 | Low | 68.6 | Low | 75 Ų | 75 | 87.2 Ų | 87.2 | 33% | 0.329 | 45% | 0.454 | S | S | . | . | trans | -73.3 | 98.3 | 178.8 | -165.6 | -97.2 | 0 | 0 | 0 | 111.3 | P75 H77 D81 E86 Y89 | P75-F84 HydrophobicContact CG-CE1 3.95Å; P75-F84 HydrophobicContact CG-CE2 4.19Å; P75-F84 HydrophobicContact CG-CZ 3.49Å; P75-F84 VanDerWaalsContact CG-CZ 3.49Å; H77-F84 AromaticContact CE1-CD1 3.64Å; D81-F84 HydrophobicContact CB-CB 4.36Å; D81-F84 PolarHBondContact O-N 3.32Å; F84-E86 HydrophobicContact CD1-CG 4.25Å; F84-E86 PolarHBondContact O-N 3Å; F84-Y89 HydrophobicContact CE1-CG 4.26Å; F84-Y89 HydrophobicContact CE2-CD2 4.44Å; F84-Y89 HydrophobicContact CZ-CD1 4.35Å; F84-Y89 AromaticContact CZ-CD2 3.8Å; F84-Y89 HydrophobicContact CZ-CD2 3.8Å; F84-Y89 AromaticContact CZ-CG 3.67Å; F84-Y89 HydrophobicContact CZ-CG 3.67Å | ||
| 85 | D | 67.8 | Low | 68.7 | Low | 84 Ų | 84 | 94.1 Ų | 94.1 | 45% | 0.449 | 48% | 0.48 | S | S | . | . | trans | -75 | 92.6 | 173.2 | -169.5 | -10.4 | 0 | 0 | 0 | 109.9 | D83 V87 Q88 Y89 | D83-D85 PolarHBondContact O-N 3.47Å; D85-V87 PolarHBondContact O-N 3Å; D85-V87 VanDerWaalsContact O-N 3.11Å; D85-V87 VanDerWaalsContact OD1-CB 3.29Å; D85-V87 WeakPolarHBondContact OD1-CB 3.25Å; D85-V87 PolarHBondContact OD1-N 2.95Å; D85-V87 VanDerWaalsContact OD1-N 3.08Å; D85-Q88 HydrophobicContact CB-CB 3.8Å; D85-Q88 WeakPolarHBondContact O-CB 3.48Å; D85-Q88 PolarHBondContact O-N 2.89Å; D85-Q88 PolarHBondContact OD1-N 3.29Å; D85-Y89 PolarHBondContact O-N 2.84Å | ||
| 86 | E | 70.3 | Confident | 69.3 | Low | 75 Ų | 75 | 95.1 Ų | 95.1 | 35% | 0.35 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -49.1 | -36.1 | 174.8 | -68.7 | -176 | 160.3 | 0 | 0 | 112 | H77 F84 Q90 | H77-E86 IonicContact CD2-OE1 3.89Å; H77-E86 IonicContact CE1-OE1 3.42Å; H77-E86 WeakPolarHBondContact NE2-CG 3.2Å; H77-E86 IonicContact NE2-OE1 3.98Å; H77-E86 PolarHBondContact NE2-OE1 3.23Å; F84-E86 HydrophobicContact CD1-CG 4.25Å; F84-E86 PolarHBondContact O-N 3Å; E86-Q90 VanDerWaalsContact O-CB 3.31Å; E86-Q90 WeakPolarHBondContact O-CB 3.32Å; E86-Q90 PolarHBondContact O-N 2.92Å |
| 87 | V | 75.1 | Confident | 70.1 | Confident | 76 Ų | 76 | 93 Ų | 93 | 46% | 0.461 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -71.4 | -41.2 | -178.5 | -175.9 | 0 | 0 | 0 | 0 | 110 | D85 Q90 M91 | D85-V87 PolarHBondContact O-N 3Å; D85-V87 VanDerWaalsContact O-N 3.11Å; D85-V87 VanDerWaalsContact OD1-CB 3.29Å; D85-V87 WeakPolarHBondContact OD1-CB 3.25Å; D85-V87 PolarHBondContact OD1-N 2.95Å; D85-V87 VanDerWaalsContact OD1-N 3.08Å; V87-Q90 PolarHBondContact O-N 3.34Å; V87-M91 HydrophobicContact CG1-CE 3.86Å; V87-M91 WeakPolarHBondContact O-CB 3.33Å; V87-M91 VanDerWaalsContact O-CG 3.29Å; V87-M91 WeakPolarHBondContact O-CG 2.99Å; V87-M91 PolarHBondContact O-N 3.36Å |
| 88 | Q | 81.6 | Confident | 71.3 | Confident | 118 Ų | 118 | 96.5 Ų | 96.5 | 55% | 0.551 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.6 | -45.7 | 175.5 | -175 | 175.3 | -19.8 | 0 | 0 | 111.3 | D85 Q90 M91 E92 | D85-Q88 HydrophobicContact CB-CB 3.8Å; D85-Q88 WeakPolarHBondContact O-CB 3.48Å; D85-Q88 PolarHBondContact O-N 2.89Å; D85-Q88 PolarHBondContact OD1-N 3.29Å; Q88-Q90 VanDerWaalsContact C-N 3.34Å; Q88-Q90 PolarHBondContact O-N 3.35Å; Q88-M91 PolarHBondContact O-N 3.47Å; Q88-E92 WeakPolarHBondContact O-CB 3.44Å; Q88-E92 PolarHBondContact O-N 3.3Å |
| 89 | Y | 83.4 | Confident | 72.8 | Confident | 62 Ų | 62 | 99.8 Ų | 99.8 | 24% | 0.243 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -59.3 | -46.7 | 176.2 | 178.8 | -98.7 | 0 | 0 | 0 | 111.3 | F72 F74 F84 D85 M91 E92 M93 | F72-Y89 HydrophobicContact CD2-CE1 4.23Å; F72-Y89 HydrophobicContact CE2-CE1 4.25Å; F74-Y89 HydrophobicContact CD1-CD1 4Å; F74-Y89 HydrophobicContact CD1-CE1 4.26Å; F74-Y89 HydrophobicContact CE1-CD1 4.19Å; F84-Y89 HydrophobicContact CE1-CG 4.26Å; F84-Y89 HydrophobicContact CE2-CD2 4.44Å; F84-Y89 HydrophobicContact CZ-CD1 4.35Å; F84-Y89 AromaticContact CZ-CD2 3.8Å; F84-Y89 HydrophobicContact CZ-CD2 3.8Å; F84-Y89 AromaticContact CZ-CG 3.67Å; F84-Y89 HydrophobicContact CZ-CG 3.67Å; D85-Y89 PolarHBondContact O-N 2.84Å; Y89-M91 VanDerWaalsContact C-N 3.34Å; Y89-M91 PolarHBondContact O-N 3.41Å; Y89-E92 PolarHBondContact O-N 3.23Å; Y89-M93 HydrophobicContact CE1-CE 4.28Å; Y89-M93 HydrophobicContact CE2-CE 4Å; Y89-M93 VanDerWaalsContact O-CB 3.31Å; Y89-M93 WeakPolarHBondContact O-CB 3.39Å; Y89-M93 PolarHBondContact O-N 3.03Å; Y89-M93 VanDerWaalsContact OH-CE 3.29Å; Y89-M93 WeakPolarHBondContact OH-CE 3.46Å |
| 90 | Q | 79.5 | Confident | 74.4 | Confident | 41 Ų | 41 | 94.9 Ų | 94.9 | 19% | 0.192 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -59.2 | -46.1 | 176.4 | -168.8 | -176.7 | 12.6 | 0 | 0 | 111 | F72 F74 E86 V87 Q88 E92 M93 M94 | F72-Q90 HydrophobicContact CZ-CG 4.15Å; F74-Q90 HydrophobicContact CE1-CB 4.38Å; E86-Q90 VanDerWaalsContact O-CB 3.31Å; E86-Q90 WeakPolarHBondContact O-CB 3.32Å; E86-Q90 PolarHBondContact O-N 2.92Å; V87-Q90 PolarHBondContact O-N 3.34Å; Q88-Q90 VanDerWaalsContact C-N 3.34Å; Q88-Q90 PolarHBondContact O-N 3.35Å; Q90-E92 PolarHBondContact O-N 3.06Å; Q90-M93 PolarHBondContact O-N 3.05Å; Q90-M94 HydrophobicContact CG-CE 4.39Å; Q90-M94 HydrophobicContact CG-CG 4.42Å; Q90-M94 VanDerWaalsContact O-CB 3.31Å; Q90-M94 WeakPolarHBondContact O-CB 3.14Å; Q90-M94 WeakPolarHBondContact O-CG 3.35Å; Q90-M94 PolarHBondContact O-N 3.3Å |
| 91 | M | 81.9 | Confident | 75.9 | Confident | 108 Ų | 108 | 94.6 Ų | 94.6 | 53% | 0.532 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 178.9 | -75.3 | -168.4 | -176 | 0 | 0 | 112.9 | V87 Q88 Y89 R95 | V87-M91 HydrophobicContact CG1-CE 3.86Å; V87-M91 WeakPolarHBondContact O-CB 3.33Å; V87-M91 VanDerWaalsContact O-CG 3.29Å; V87-M91 WeakPolarHBondContact O-CG 2.99Å; V87-M91 PolarHBondContact O-N 3.36Å; Q88-M91 PolarHBondContact O-N 3.47Å; Y89-M91 VanDerWaalsContact C-N 3.34Å; Y89-M91 PolarHBondContact O-N 3.41Å; M91-R95 WeakPolarHBondContact O-CG 3.25Å; M91-R95 PolarHBondContact O-N 2.94Å |
| 92 | E | 85 | Confident | 77 | Confident | 115 Ų | 115 | 93.2 Ų | 93.2 | 54% | 0.537 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -69.5 | -40.8 | 178.8 | -173.3 | 164.2 | -165.6 | 0 | 0 | 111.9 | Q88 Y89 Q90 R95 S96 | Q88-E92 WeakPolarHBondContact O-CB 3.44Å; Q88-E92 PolarHBondContact O-N 3.3Å; Y89-E92 PolarHBondContact O-N 3.23Å; Q90-E92 PolarHBondContact O-N 3.06Å; E92-R95 WeakPolarHBondContact O-CB 3.39Å; E92-R95 PolarHBondContact O-N 3.21Å; E92-S96 PolarHBondContact O-N 3.43Å; E92-S96 PolarHBondContact O-OG 3.36Å |
| 93 | M | 81.7 | Confident | 78.1 | Confident | 53 Ų | 53 | 91.8 Ų | 91.8 | 26% | 0.261 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 174.5 | -166.8 | 58.8 | 68.5 | 0 | 0 | 111 | F72 Y89 Q90 R95 S96 L97 | F72-M93 HydrophobicContact CB-CG 4.23Å; F72-M93 HydrophobicContact CD1-CG 3.7Å; F72-M93 HydrophobicContact CD2-CB 4.3Å; F72-M93 HydrophobicContact CD2-CG 3.65Å; F72-M93 HydrophobicContact CE1-CB 4.25Å; F72-M93 HydrophobicContact CE1-CG 3.75Å; F72-M93 HydrophobicContact CE2-CB 3.88Å; F72-M93 HydrophobicContact CE2-CG 3.71Å; F72-M93 HydrophobicContact CG-CG 3.62Å; F72-M93 HydrophobicContact CZ-CB 3.83Å; F72-M93 HydrophobicContact CZ-CG 3.74Å; Y89-M93 HydrophobicContact CE1-CE 4.28Å; Y89-M93 HydrophobicContact CE2-CE 4Å; Y89-M93 VanDerWaalsContact O-CB 3.31Å; Y89-M93 WeakPolarHBondContact O-CB 3.39Å; Y89-M93 PolarHBondContact O-N 3.03Å; Y89-M93 VanDerWaalsContact OH-CE 3.29Å; Y89-M93 WeakPolarHBondContact OH-CE 3.46Å; Q90-M93 PolarHBondContact O-N 3.05Å; M93-R95 VanDerWaalsContact C-N 3.32Å; M93-R95 PolarHBondContact O-N 2.92Å; M93-S96 WeakPolarHBondContact O-CB 3.45Å; M93-S96 PolarHBondContact O-N 3Å; M93-S96 VanDerWaalsContact O-N 3.12Å; M93-L97 HydrophobicContact CG-CD1 4.04Å; M93-L97 WeakPolarHBondContact O-CD1 3.22Å; M93-L97 PolarHBondContact O-N 2.85Å |
| 94 | M | 81.5 | Confident | 79.2 | Confident | 27 Ų | 27 | 86.9 Ų | 86.9 | 13% | 0.133 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61.5 | -38.5 | 175 | -70.8 | -69.1 | -169 | 0 | 0 | 112.4 | L58 F72 Q90 R98 H104 H106 | L58-M94 HydrophobicContact CD2-CE 3.34Å; L58-M94 HydrophobicContact CD2-SD 3.71Å; F72-M94 HydrophobicContact CE1-CE 4.11Å; F72-M94 HydrophobicContact CE1-SD 4.22Å; F72-M94 HydrophobicContact CZ-CE 4.25Å; Q90-M94 HydrophobicContact CG-CE 4.39Å; Q90-M94 HydrophobicContact CG-CG 4.42Å; Q90-M94 VanDerWaalsContact O-CB 3.31Å; Q90-M94 WeakPolarHBondContact O-CB 3.14Å; Q90-M94 WeakPolarHBondContact O-CG 3.35Å; Q90-M94 PolarHBondContact O-N 3.3Å; M94-R98 WeakPolarHBondContact O-CB 3.25Å; M94-R98 PolarHBondContact O-N 3.22Å; M94-H104 HydrophobicContact SD-CB 3.88Å; M94-H106 HydrophobicContact CE-CB 4.05Å |
| 95 | R | 84.8 | Confident | 80.4 | Confident | 157 Ų | 157 | 87.4 Ų | 87.4 | 59% | 0.592 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -63.2 | -46.1 | 172.2 | -76.7 | 177.3 | -168.4 | 161.3 | 6.2 | 110.7 | M91 E92 M93 L97 R98 H99 | M91-R95 WeakPolarHBondContact O-CG 3.25Å; M91-R95 PolarHBondContact O-N 2.94Å; E92-R95 WeakPolarHBondContact O-CB 3.39Å; E92-R95 PolarHBondContact O-N 3.21Å; M93-R95 VanDerWaalsContact C-N 3.32Å; M93-R95 PolarHBondContact O-N 2.92Å; R95-L97 VanDerWaalsContact C-N 3.35Å; R95-L97 PolarHBondContact O-N 3.12Å; R95-R98 WeakPolarHBondContact O-CB 3.34Å; R95-R98 PolarHBondContact O-N 3.04Å; R95-H99 PolarHBondContact O-N 3.49Å; R95-H99 VanDerWaalsContact O-N 3.1Å; R95-H99 PolarHBondContact O-ND1 3.3Å |
| 96 | S | 84.8 | Confident | 81.2 | Confident | 60 Ų | 60 | 84.8 Ų | 84.8 | 42% | 0.42 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.5 | -44.5 | -179.8 | -60.6 | 0 | 0 | 0 | 0 | 111.6 | E92 M93 R98 H99 V100 | E92-S96 PolarHBondContact O-N 3.43Å; E92-S96 PolarHBondContact O-OG 3.36Å; M93-S96 WeakPolarHBondContact O-CB 3.45Å; M93-S96 PolarHBondContact O-N 3Å; M93-S96 VanDerWaalsContact O-N 3.12Å; S96-R98 VanDerWaalsContact C-N 3.33Å; S96-R98 PolarHBondContact O-N 3.32Å; S96-H99 PolarHBondContact O-N 3.09Å; S96-V100 PolarHBondContact O-N 2.89Å |
| 97 | L | 83.4 | Confident | 82 | Confident | 17 Ų | 17 | 81.6 Ų | 81.6 | 9% | 0.089 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.3 | -39.2 | 174.7 | -78.3 | 149.5 | 0 | 0 | 0 | 112.7 | L58 N70 F72 M93 R95 H99 V100 N101 I102 H104 | L58-L97 HydrophobicContact CD1-CD1 3.45Å; L58-L97 VanDerWaalsContact CD1-CD1 3.45Å; L58-L97 HydrophobicContact CD1-CD2 4.15Å; L58-L97 HydrophobicContact CD1-CG 4.4Å; N70-L97 WeakPolarHBondContact ND2-CD2 3.36Å; F72-L97 HydrophobicContact CD1-CD1 3.72Å; F72-L97 HydrophobicContact CE1-CD1 3.78Å; M93-L97 HydrophobicContact CG-CD1 4.04Å; M93-L97 WeakPolarHBondContact O-CD1 3.22Å; M93-L97 PolarHBondContact O-N 2.85Å; R95-L97 VanDerWaalsContact C-N 3.35Å; R95-L97 PolarHBondContact O-N 3.12Å; L97-H99 VanDerWaalsContact C-N 3.33Å; L97-H99 PolarHBondContact O-N 3.25Å; L97-V100 PolarHBondContact O-N 2.94Å; L97-V100 VanDerWaalsContact O-N 3.17Å; L97-N101 PolarHBondContact O-N 3.12Å; L97-I102 HydrophobicContact CD2-CB 3.95Å; L97-I102 HydrophobicContact CD2-CD1 4.11Å; L97-I102 HydrophobicContact CD2-CG2 3.8Å; L97-I102 PolarHBondContact O-N 3.43Å; L97-I102 VanDerWaalsContact O-N 3.09Å; L97-H104 HydrophobicContact CB-CB 4.48Å |
| 98 | R | 83.2 | Confident | 82.7 | Confident | 158 Ų | 158 | 78 Ų | 78 | 60% | 0.596 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -62.7 | -37.1 | 175.3 | -170.4 | -175.6 | -74.8 | 177.8 | -0.6 | 112.3 | M94 R95 S96 V100 N101 H104 | M94-R98 WeakPolarHBondContact O-CB 3.25Å; M94-R98 PolarHBondContact O-N 3.22Å; R95-R98 WeakPolarHBondContact O-CB 3.34Å; R95-R98 PolarHBondContact O-N 3.04Å; S96-R98 VanDerWaalsContact C-N 3.33Å; S96-R98 PolarHBondContact O-N 3.32Å; R98-V100 PolarHBondContact O-N 3.33Å; R98-N101 PolarHBondContact O-N 3.08Å; R98-H104 VanDerWaalsContact CZ-NE2 3.28Å; R98-H104 PolarHBondContact NE-CD2 3.47Å; R98-H104 PolarHBondContact NE-NE2 3.22Å; R98-H104 PolarHBondContact NH2-CD2 3.43Å; R98-H104 PolarHBondContact NH2-NE2 2.85Å |
| 99 | H | 84.8 | Confident | 83.1 | Confident | 157 Ų | 157 | 72.9 Ų | 72.9 | 73% | 0.727 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -66.6 | -27.2 | 176.9 | -70.4 | 89 | 0 | 0 | 0 | 112.9 | R95 S96 L97 N101 | R95-H99 PolarHBondContact O-N 3.49Å; R95-H99 VanDerWaalsContact O-N 3.1Å; R95-H99 PolarHBondContact O-ND1 3.3Å; S96-H99 PolarHBondContact O-N 3.09Å; L97-H99 VanDerWaalsContact C-N 3.33Å; L97-H99 PolarHBondContact O-N 3.25Å; H99-N101 VanDerWaalsContact C-N 3.27Å |
| 100 | V | 84.9 | Confident | 83.5 | Confident | 97 Ų | 97 | 70.1 Ų | 70.1 | 59% | 0.588 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | 5.5 | 179 | -171.2 | 0 | 0 | 0 | 0 | 111.5 | S96 L97 R98 I102 | S96-V100 PolarHBondContact O-N 2.89Å; L97-V100 PolarHBondContact O-N 2.94Å; L97-V100 VanDerWaalsContact O-N 3.17Å; R98-V100 PolarHBondContact O-N 3.33Å; V100-I102 HydrophobicContact CB-CD1 4.11Å; V100-I102 HydrophobicContact CB-CG1 4.22Å; V100-I102 HydrophobicContact CG1-CD1 3.75Å; V100-I102 HydrophobicContact CG1-CG1 4.03Å; V100-I102 PolarHBondContact O-N 2.82Å |
| 101 | N | 80.4 | Confident | 83.8 | Confident | 153 Ų | 153 | 69.8 Ų | 69.8 | 82% | 0.818 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 34 | -174.6 | -60.5 | -44.6 | 0 | 0 | 0 | 113.2 | L97 R98 H99 | L97-N101 PolarHBondContact O-N 3.12Å; R98-N101 PolarHBondContact O-N 3.08Å; H99-N101 VanDerWaalsContact C-N 3.27Å |
| 102 | I | 77.6 | Confident | 84 | Confident | 61 Ų | 61 | 65 Ų | 65 | 31% | 0.313 | 32% | 0.316 | S | S | . | . | trans | -95.5 | 144.6 | 172.2 | -60.3 | 170.8 | 0 | 0 | 0 | 108.6 | N70 L97 V100 H104 | N70-I102 HydrophobicContact CB-CG2 4.26Å; L97-I102 HydrophobicContact CD2-CB 3.95Å; L97-I102 HydrophobicContact CD2-CD1 4.11Å; L97-I102 HydrophobicContact CD2-CG2 3.8Å; L97-I102 PolarHBondContact O-N 3.43Å; L97-I102 VanDerWaalsContact O-N 3.09Å; V100-I102 HydrophobicContact CB-CD1 4.11Å; V100-I102 HydrophobicContact CB-CG1 4.22Å; V100-I102 HydrophobicContact CG1-CD1 3.75Å; V100-I102 HydrophobicContact CG1-CG1 4.03Å; V100-I102 PolarHBondContact O-N 2.82Å; I102-H104 PolarHBondContact O-N 2.87Å | ||
| 103 | D | 75.9 | Confident | 83.7 | Confident | 72 Ų | 72 | 59.9 Ų | 59.9 | 39% | 0.385 | 29% | 0.293 | S | S | . | . | trans | -57.5 | 120.7 | 174.3 | -61.8 | -38.4 | 0 | 0 | 0 | 111.1 | ||||
| 104 | H | 76.3 | Confident | 83.3 | Confident | 58 Ų | 58 | 61.5 Ų | 61.5 | 27% | 0.269 | 30% | 0.296 | S | S | . | . | trans | -107.7 | 15.3 | -179.5 | 65.6 | -24.8 | 0 | 0 | 0 | 113.2 | M94 L97 R98 I102 H106 | M94-H104 HydrophobicContact SD-CB 3.88Å; L97-H104 HydrophobicContact CB-CB 4.48Å; R98-H104 VanDerWaalsContact CZ-NE2 3.28Å; R98-H104 PolarHBondContact NE-CD2 3.47Å; R98-H104 PolarHBondContact NE-NE2 3.22Å; R98-H104 PolarHBondContact NH2-CD2 3.43Å; R98-H104 PolarHBondContact NH2-NE2 2.85Å; I102-H104 PolarHBondContact O-N 2.87Å; H104-H106 PolarHBondContact O-N 3.32Å | ||
| 105 | L | 84.8 | Confident | 82.6 | Confident | 87 Ų | 87 | 61 Ų | 61 | 46% | 0.455 | 29% | 0.293 | S | S | . | . | trans | -77.1 | 121.3 | 178.6 | -75.4 | 171.8 | 0 | 0 | 0 | 108.9 | L58 G59 L60 V107 | L58-L105 VanDerWaalsContact CA-O 3.24Å; L58-L105 WeakPolarHBondContact CA-O 3.3Å; G59-L105 PolarHBondContact N-O 3.45Å; G59-L105 WeakPolarHBondContact O-CB 3.4Å; L60-L105 HydrophobicContact CD1-CD1 3.54Å; L105-V107 PolarHBondContact O-N 2.98Å | ||
| 106 | H | 85.3 | Confident | 81.6 | Confident | 28 Ų | 28 | 53.7 Ų | 53.7 | 13% | 0.13 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 120.8 | 176.9 | -176.6 | -111.6 | 0 | 0 | 0 | 109.6 | M94 H104 G108 Y130 I134 | M94-H106 HydrophobicContact CE-CB 4.05Å; H104-H106 PolarHBondContact O-N 3.32Å; H106-G108 PolarHBondContact NE2-O 3.36Å; H106-G108 VanDerWaalsContact NE2-O 3.09Å; H106-Y130 AromaticContact CE1-CD1 3.46Å; H106-Y130 VanDerWaalsContact CE1-CD1 3.46Å; H106-Y130 WeakPolarHBondContact CE1-CD1 2.99Å; H106-Y130 AromaticContact CE1-CE1 3.59Å; H106-I134 HydrophobicContact CB-CD1 4.08Å; H106-I134 WeakPolarHBondContact O-CD1 3.46Å |
| 107 | V | 86.8 | Confident | 80.9 | Confident | 9 Ų | 9 | 52.9 Ų | 52.9 | 6% | 0.055 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | -1.5 | -177.2 | -65.6 | 0 | 0 | 0 | 0 | 113.6 | L57 G59 L66 I68 L105 S137 V138 | L57-V107 HydrophobicContact CB-CG2 4.1Å; L57-V107 WeakPolarHBondContact O-CG2 3.04Å; L57-V107 PolarHBondContact O-N 3.15Å; G59-V107 VanDerWaalsContact O-CG1 3.28Å; G59-V107 WeakPolarHBondContact O-CG1 3.39Å; L66-V107 HydrophobicContact CD1-CB 3.85Å; L66-V107 HydrophobicContact CD1-CG1 3.86Å; L66-V107 HydrophobicContact CD1-CG2 4.36Å; L66-V107 HydrophobicContact CD2-CB 4.39Å; I68-V107 HydrophobicContact CG1-CG2 4.38Å; L105-V107 PolarHBondContact O-N 2.98Å; V107-S137 WeakPolarHBondContact O-CA 3.2Å; V107-V138 PolarHBondContact O-N 2.94Å |
| 108 | G | 88.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 154.5 | -166.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L57 H106 V138 | L57-G108 WeakPolarHBondContact CB-O 3.46Å; L57-G108 PolarHBondContact N-O 3.41Å; H106-G108 PolarHBondContact NE2-O 3.36Å; H106-G108 VanDerWaalsContact NE2-O 3.09Å; G108-V138 VanDerWaalsContact CA-O 3.23Å; G108-V138 WeakPolarHBondContact CA-O 3.31Å |
| 109 | W | 90.1 | Very high | 79.7 | Confident | 10 Ų | 10 | 45.5 Ų | 45.5 | 4% | 0.038 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 158.4 | -178.7 | 64.1 | -69.5 | 0 | 0 | 0 | 109.8 | G55 L57 Q111 L123 Y130 V138 V139 L140 | G55-W109 CarbonylContact O-C 3.56Å; G55-W109 VanDerWaalsContact O-CA 3.22Å; G55-W109 WeakPolarHBondContact O-CA 3.43Å; G55-W109 VanDerWaalsContact O-CB 3.23Å; G55-W109 WeakPolarHBondContact O-CB 3.08Å; L57-W109 WeakPolarHBondContact CD1-O 3.4Å; W109-Q111 HydrophobicContact CE3-CB 4.19Å; W109-Q111 HydrophobicContact CH2-CB 4.32Å; W109-Q111 VanDerWaalsContact CH2-OE1 3.24Å; W109-Q111 HydrophobicContact CZ3-CB 3.68Å; W109-Q111 HydrophobicContact CZ3-CG 3.97Å; W109-L123 HydrophobicContact CH2-CD1 4.41Å; W109-L123 HydrophobicContact CH2-CG 3.93Å; W109-L123 HydrophobicContact CZ2-CG 3.93Å; W109-Y130 AromaticContact CD1-CD2 3.5Å; W109-Y130 AromaticContact CD1-CE2 3.78Å; W109-Y130 HydrophobicContact CD2-CE2 4.37Å; W109-Y130 HydrophobicContact CG-CD2 4.24Å; W109-Y130 HydrophobicContact CG-CE2 4.06Å; W109-Y130 AromaticContact NE1-CD2 3.55Å; W109-Y130 AromaticContact NE1-CE2 3.95Å; W109-V138 PolarHBondContact N-O 3.38Å; W109-V139 HydrophobicContact CZ2-CG1 4.27Å; W109-V139 HydrophobicContact CZ2-CG2 4.24Å; W109-V139 WeakPolarHBondContact O-CA 3.24Å; W109-L140 PolarHBondContact O-N 3.25Å |
| 110 | Y | 91 | Very high | 79.3 | Confident | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 151.6 | 175 | 70.7 | -86.9 | 0 | 0 | 0 | 110.4 | I39 H42 Q54 G55 L57 C71 P73 L140 | I39-Y110 HydrophobicContact CB-CD2 4.48Å; I39-Y110 HydrophobicContact CB-CE2 4.38Å; I39-Y110 HydrophobicContact CD1-CD1 4.32Å; I39-Y110 HydrophobicContact CD1-CD2 4.21Å; I39-Y110 HydrophobicContact CD1-CG 3.99Å; I39-Y110 HydrophobicContact CG1-CD1 4.19Å; I39-Y110 HydrophobicContact CG1-CD2 3.85Å; I39-Y110 HydrophobicContact CG1-CE1 4.22Å; I39-Y110 HydrophobicContact CG1-CE2 3.88Å; I39-Y110 HydrophobicContact CG1-CG 4Å; I39-Y110 HydrophobicContact CG2-CD2 3.97Å; I39-Y110 HydrophobicContact CG2-CE2 4.11Å; H42-Y110 AromaticContact ND1-CE2 3.78Å; H42-Y110 AromaticContact ND1-CZ 3.72Å; H42-Y110 PolarHBondContact ND1-OH 2.83Å; Q54-Y110 WeakPolarHBondContact CA-O 3.35Å; G55-Y110 VanDerWaalsContact C-CE1 3.45Å; G55-Y110 VanDerWaalsContact CA-CE1 3.41Å; G55-Y110 PolarHBondContact N-O 3.42Å; G55-Y110 VanDerWaalsContact O-CD1 3.31Å; G55-Y110 WeakPolarHBondContact O-CD1 3.32Å; G55-Y110 PolarHBondContact O-N 2.99Å; L57-Y110 HydrophobicContact CD2-CD1 3.7Å; L57-Y110 HydrophobicContact CD2-CG 4.36Å; L57-Y110 HydrophobicContact CG-CD1 4.2Å; C71-Y110 HydrophobicContact CB-CD1 4.37Å; C71-Y110 HydrophobicContact CB-CE1 4.01Å; P73-Y110 WeakPolarHBondContact CA-OH 3.29Å; Y110-L140 CarbonylContact C-O 3.6Å; Y110-L140 WeakPolarHBondContact CA-O 3.23Å |
| 111 | Q | 87.4 | Confident | 78.8 | Confident | 35 Ų | 35 | 41 Ų | 41 | 16% | 0.164 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 133.2 | 178.9 | -166 | 176.7 | 12.5 | 0 | 0 | 109.2 | V52 V53 W109 L140 I141 Y142 | V52-Q111 HydrophobicContact CG1-CG 3.21Å; V53-Q111 CarbonylContact O-C 3.45Å; V53-Q111 WeakPolarHBondContact O-CA 3.43Å; W109-Q111 HydrophobicContact CE3-CB 4.19Å; W109-Q111 HydrophobicContact CH2-CB 4.32Å; W109-Q111 VanDerWaalsContact CH2-OE1 3.24Å; W109-Q111 HydrophobicContact CZ3-CB 3.68Å; W109-Q111 HydrophobicContact CZ3-CG 3.97Å; Q111-L140 PolarHBondContact N-O 2.95Å; Q111-I141 WeakPolarHBondContact O-CA 3.45Å; Q111-Y142 PolarHBondContact O-N 2.88Å |
| 112 | S | 84.7 | Confident | 78.8 | Confident | 7 Ų | 7 | 36.6 Ų | 36.6 | 5% | 0.049 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 148.6 | 167.5 | 72 | 0 | 0 | 0 | 0 | 110.1 | V52 V53 Y142 | V52-S112 WeakPolarHBondContact CG1-O 3.48Å; V53-S112 WeakPolarHBondContact CB-OG 3.43Å; V53-S112 PolarHBondContact N-OG 3.43Å; V53-S112 PolarHBondContact O-N 3.43Å; S112-Y142 CarbonylContact C-O 3.51Å; S112-Y142 VanDerWaalsContact CA-O 3.3Å; S112-Y142 WeakPolarHBondContact CA-O 3.29Å |
| 113 | T | 78.7 | Confident | 79 | Confident | 8 Ų | 8 | 34 Ų | 34 | 5% | 0.049 | 18% | 0.18 | C | C | . | . | trans | -128.5 | 151.7 | 175.4 | -169.8 | 0 | 0 | 0 | 0 | 111.1 | S117 F118 I141 Y142 D143 P144 | T113-S117 VanDerWaalsContact OG1-C 3.3Å; T113-S117 PolarHBondContact OG1-N 2.99Å; T113-S117 PolarHBondContact OG1-O 2.68Å; T113-F118 PolarHBondContact OG1-N 2.86Å; T113-I141 HydrophobicContact CG2-CG2 3.56Å; T113-Y142 PolarHBondContact N-O 3.09Å; T113-D143 HydrophobicContact CG2-CB 4.11Å; T113-P144 WeakPolarHBondContact O-CD 3.05Å | ||
| 114 | Y | 73.6 | Confident | 79.1 | Confident | 87 Ų | 87 | 30.6 Ų | 30.6 | 34% | 0.341 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -100 | 115.8 | 172.7 | -156.2 | -107.8 | 0 | 0 | 0 | 108.2 | G116 S117 I145 | Y114-G116 PolarHBondContact O-N 3.15Å; Y114-S117 PolarHBondContact O-N 3.44Å; Y114-S117 VanDerWaalsContact O-N 3.09Å; Y114-I145 HydrophobicContact CD2-CD1 3.6Å; Y114-I145 HydrophobicContact CE1-CD1 4.49Å; Y114-I145 HydrophobicContact CE2-CD1 3.42Å; Y114-I145 VanDerWaalsContact CE2-CD1 3.42Å; Y114-I145 HydrophobicContact CE2-CG1 4.46Å; Y114-I145 HydrophobicContact CG-CD1 4.21Å |
| 115 | Y | 67.8 | Low | 79.4 | Confident | 16 Ų | 16 | 31.5 Ų | 31.5 | 6% | 0.063 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 24.1 | 175.8 | -72.5 | -93.5 | 0 | 0 | 0 | 116.2 | I145 H228 K231 S232 L235 Y316 | Y115-I145 HydrophobicContact CD2-CD1 3.4Å; Y115-I145 HydrophobicContact CE1-CG2 4.46Å; Y115-I145 HydrophobicContact CE2-CD1 3.19Å; Y115-I145 HydrophobicContact CG-CD1 4.19Å; Y115-H228 AromaticContact CD1-CE1 3.54Å; Y115-H228 AromaticContact CD1-ND1 3.62Å; Y115-H228 HydrophobicContact CE1-CB 4.37Å; Y115-H228 AromaticContact CE1-CE1 3.51Å; Y115-H228 AromaticContact CE1-CG 3.79Å; Y115-H228 AromaticContact CE1-ND1 3.05Å; Y115-H228 WeakPolarHBondContact CE1-ND1 3.12Å; Y115-H228 WeakPolarHBondContact CE1-O 3.47Å; Y115-H228 AromaticContact CZ-ND1 3.85Å; Y115-K231 HydrophobicContact CD1-CB 4.44Å; Y115-K231 HydrophobicContact CE1-CB 3.76Å; Y115-K231 HydrophobicContact CE2-CB 4.29Å; Y115-K231 HydrophobicContact CE2-CD 4.11Å; Y115-K231 WeakPolarHBondContact OH-CD 3.43Å; Y115-S232 WeakPolarHBondContact CD1-OG 3.45Å; Y115-L235 VanDerWaalsContact CB-CD1 3.45Å; Y115-L235 HydrophobicContact CD2-CD1 4.17Å; Y115-L235 HydrophobicContact CG-CD1 3.88Å; Y115-Y316 WeakPolarHBondContact O-CE1 3.26Å |
| 116 | G | 64.2 | Low | 79.3 | Confident | 3 Ų | 3 | 29.8 Ų | 29.8 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 11.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y114 F118 | Y114-G116 PolarHBondContact O-N 3.15Å; G116-F118 VanDerWaalsContact O-CD1 3.26Å; G116-F118 WeakPolarHBondContact O-CD1 3.43Å; G116-F118 PolarHBondContact O-N 3.08Å |
| 117 | S | 68.6 | Low | 79.2 | Confident | 43 Ų | 43 | 28.5 Ų | 28.5 | 30% | 0.301 | 16% | 0.158 | S | C | . | . | trans | -78.1 | 67.3 | 169.7 | -170.8 | 0 | 0 | 0 | 0 | 111.4 | T113 Y114 Y316 | T113-S117 VanDerWaalsContact OG1-C 3.3Å; T113-S117 PolarHBondContact OG1-N 2.99Å; T113-S117 PolarHBondContact OG1-O 2.68Å; Y114-S117 PolarHBondContact O-N 3.44Å; Y114-S117 VanDerWaalsContact O-N 3.09Å; S117-Y316 WeakPolarHBondContact CB-OH 3.44Å | ||
| 118 | F | 70.8 | Confident | 79 | Confident | 14 Ų | 14 | 30.1 Ų | 30.1 | 6% | 0.061 | 16% | 0.164 | C | C | . | . | trans | -106.9 | -23.4 | -177.8 | 63.4 | -97.7 | 0 | 0 | 0 | 114.7 | T113 G116 S120 L123 I141 Y157 N315 | T113-F118 PolarHBondContact OG1-N 2.86Å; G116-F118 VanDerWaalsContact O-CD1 3.26Å; G116-F118 WeakPolarHBondContact O-CD1 3.43Å; G116-F118 PolarHBondContact O-N 3.08Å; F118-S120 VanDerWaalsContact C-N 3.26Å; F118-S120 PolarHBondContact O-N 3.38Å; F118-L123 HydrophobicContact CB-CD1 4.44Å; F118-L123 WeakPolarHBondContact O-CD1 3.29Å; F118-I141 HydrophobicContact CB-CD1 3.79Å; F118-I141 HydrophobicContact CB-CG2 4.02Å; F118-I141 HydrophobicContact CD1-CD1 4.05Å; F118-I141 HydrophobicContact CD1-CG2 4.08Å; F118-I141 HydrophobicContact CD2-CD1 3.03Å; F118-I141 HydrophobicContact CD2-CG1 4.49Å; F118-I141 HydrophobicContact CE1-CD1 4.38Å; F118-I141 HydrophobicContact CE2-CD1 3.43Å; F118-I141 VanDerWaalsContact CE2-CD1 3.43Å; F118-I141 HydrophobicContact CG-CD1 3.36Å; F118-I141 HydrophobicContact CG-CG2 4.07Å; F118-I141 HydrophobicContact CZ-CD1 4.11Å; F118-Y157 HydrophobicContact CE1-CE2 4.1Å; F118-Y157 AromaticContact CE2-CD2 3.89Å; F118-Y157 HydrophobicContact CE2-CD2 3.89Å; F118-Y157 AromaticContact CE2-CE2 3.59Å; F118-Y157 HydrophobicContact CE2-CE2 3.59Å; F118-Y157 HydrophobicContact CZ-CD2 4.09Å; F118-Y157 AromaticContact CZ-CE2 3.31Å; F118-Y157 HydrophobicContact CZ-CE2 3.31Å; F118-Y157 AromaticContact CZ-CZ 3.61Å; F118-N315 WeakPolarHBondContact CE1-ND2 3Å; F118-N315 WeakPolarHBondContact CE1-OD1 3.28Å; F118-N315 VanDerWaalsContact CZ-ND2 3.32Å; F118-N315 WeakPolarHBondContact CZ-ND2 2.78Å | ||
| 119 | V | 72.2 | Confident | 78.7 | Confident | 7 Ų | 7 | 33.6 Ų | 33.6 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | trans | -77.8 | 72.8 | -173.3 | -177.3 | 0 | 0 | 0 | 0 | 111.1 | F188 L308 Q312 | V119-F188 HydrophobicContact CG1-CE2 3.7Å; V119-F188 HydrophobicContact CG1-CZ 4.27Å; V119-F188 HydrophobicContact CG2-CE2 4.29Å; V119-L308 HydrophobicContact CG1-CB 4.42Å; V119-L308 HydrophobicContact CG1-CD2 3.52Å; V119-Q312 HydrophobicContact CB-CG 3.7Å; V119-Q312 HydrophobicContact CG1-CG 4.44Å; V119-Q312 HydrophobicContact CG2-CG 4.46Å; V119-Q312 PolarHBondContact O-NE2 2.97Å | ||
| 120 | S | 76 | Confident | 78.4 | Confident | 60 Ų | 60 | 35.9 Ų | 35.9 | 42% | 0.42 | 20% | 0.197 | S | C | . | . | trans | -93.4 | 155.5 | 176.7 | -178.5 | 0 | 0 | 0 | 0 | 111.8 | F118 A122 L123 L124 | F118-S120 VanDerWaalsContact C-N 3.26Å; F118-S120 PolarHBondContact O-N 3.38Å; S120-A122 VanDerWaalsContact C-N 3.26Å; S120-A122 PolarHBondContact O-N 3.26Å; S120-A122 PolarHBondContact OG-N 2.84Å; S120-L123 PolarHBondContact O-N 3.46Å; S120-L124 PolarHBondContact O-N 3.43Å | ||
| 121 | R | 74.8 | Confident | 77.9 | Confident | 99 Ų | 99 | 35.9 Ų | 35.9 | 37% | 0.374 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58.9 | -40.6 | 169.8 | -178.6 | 178.4 | -75.4 | -159.8 | -8.8 | 111.1 | L123 L124 D125 D305 L308 | R121-L123 VanDerWaalsContact C-N 3.32Å; R121-L123 PolarHBondContact O-N 2.89Å; R121-L124 PolarHBondContact O-N 3.41Å; R121-L124 VanDerWaalsContact O-N 3.16Å; R121-D125 PolarHBondContact O-N 2.8Å; R121-D305 IonicContact CZ-OD1 2.76Å; R121-D305 IonicContact CZ-OD2 3.16Å; R121-D305 IonicContact NE-OD1 3.8Å; R121-D305 PolarHBondContact NE-OD1 2.86Å; R121-D305 VanDerWaalsContact NE-OD1 3.14Å; R121-D305 IonicContact NH2-OD1 3.91Å; R121-D305 PolarHBondContact NH2-OD1 3.33Å; R121-D305 IonicContact NH2-OD2 2.61Å; R121-D305 PolarHBondContact NH2-OD2 3.1Å; R121-L308 HydrophobicContact CB-CD1 4.33Å |
| 122 | A | 80.6 | Confident | 77.5 | Confident | 60 Ų | 60 | 39.9 Ų | 39.9 | 50% | 0.496 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.8 | -40.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S120 D125 S126 | S120-A122 VanDerWaalsContact C-N 3.26Å; S120-A122 PolarHBondContact O-N 3.26Å; S120-A122 PolarHBondContact OG-N 2.84Å; A122-D125 PolarHBondContact O-N 3.34Å; A122-S126 WeakPolarHBondContact O-CB 3.37Å; A122-S126 PolarHBondContact O-N 3.27Å; A122-S126 PolarHBondContact O-OG 3.5Å; A122-S126 VanDerWaalsContact O-OG 3.11Å |
| 123 | L | 80.3 | Confident | 77.4 | Confident | 7 Ų | 7 | 43.3 Ų | 43.3 | 4% | 0.037 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.1 | -44.2 | 175.5 | -172.6 | 159.6 | 0 | 0 | 0 | 110.6 | W109 F118 S120 R121 S126 Q127 F188 | W109-L123 HydrophobicContact CH2-CD1 4.41Å; W109-L123 HydrophobicContact CH2-CG 3.93Å; W109-L123 HydrophobicContact CZ2-CG 3.93Å; F118-L123 HydrophobicContact CB-CD1 4.44Å; F118-L123 WeakPolarHBondContact O-CD1 3.29Å; S120-L123 PolarHBondContact O-N 3.46Å; R121-L123 VanDerWaalsContact C-N 3.32Å; R121-L123 PolarHBondContact O-N 2.89Å; L123-S126 PolarHBondContact O-N 3.46Å; L123-Q127 HydrophobicContact CD2-CB 4.48Å; L123-Q127 WeakPolarHBondContact O-CB 3.38Å; L123-Q127 PolarHBondContact O-N 2.87Å; L123-F188 HydrophobicContact CD2-CE1 4.5Å |
| 124 | L | 79.1 | Confident | 77.4 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 178.2 | -173.9 | 122.5 | 0 | 0 | 0 | 111.9 | S120 R121 Q127 F128 L159 L163 M187 F188 M304 L308 | S120-L124 PolarHBondContact O-N 3.43Å; R121-L124 PolarHBondContact O-N 3.41Å; R121-L124 VanDerWaalsContact O-N 3.16Å; L124-Q127 PolarHBondContact O-N 3.49Å; L124-F128 VanDerWaalsContact O-CB 3.25Å; L124-F128 WeakPolarHBondContact O-CB 3.45Å; L124-F128 PolarHBondContact O-N 3.31Å; L124-L159 HydrophobicContact CD1-CD1 4.21Å; L124-L163 HydrophobicContact CD1-CD2 4.16Å; L124-M187 HydrophobicContact CD1-CE 3.59Å; L124-F188 HydrophobicContact CD1-CZ 4.27Å; L124-M304 HydrophobicContact CD2-SD 4.17Å; L124-L308 HydrophobicContact CD1-CD2 4.23Å |
| 125 | D | 82 | Confident | 77.5 | Confident | 77 Ų | 77 | 47 Ų | 47 | 41% | 0.412 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.5 | -45.1 | 178.6 | -68.8 | -24.9 | 0 | 0 | 0 | 111.3 | R121 A122 F128 S129 | R121-D125 PolarHBondContact O-N 2.8Å; A122-D125 PolarHBondContact O-N 3.34Å; D125-F128 PolarHBondContact O-N 2.98Å; D125-S129 PolarHBondContact O-N 3.19Å |
| 126 | S | 83.4 | Confident | 78.1 | Confident | 51 Ų | 51 | 49.7 Ų | 49.7 | 36% | 0.357 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62 | -47.6 | 174.8 | -66.4 | 0 | 0 | 0 | 0 | 111.6 | A122 L123 F128 S129 Y130 | A122-S126 WeakPolarHBondContact O-CB 3.37Å; A122-S126 PolarHBondContact O-N 3.27Å; A122-S126 PolarHBondContact O-OG 3.5Å; A122-S126 VanDerWaalsContact O-OG 3.11Å; L123-S126 PolarHBondContact O-N 3.46Å; S126-F128 VanDerWaalsContact C-N 3.3Å; S126-F128 PolarHBondContact O-N 3.3Å; S126-S129 WeakPolarHBondContact O-CB 3.28Å; S126-S129 PolarHBondContact O-N 2.98Å; S126-Y130 WeakPolarHBondContact O-CD2 3.45Å; S126-Y130 PolarHBondContact O-N 3.4Å |
| 127 | Q | 82.6 | Confident | 79 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.4 | -37.6 | 178.4 | 179.5 | 58.2 | 12.4 | 0 | 0 | 111.7 | L123 L124 Y130 Q131 S137 V139 L159 | L123-Q127 HydrophobicContact CD2-CB 4.48Å; L123-Q127 WeakPolarHBondContact O-CB 3.38Å; L123-Q127 PolarHBondContact O-N 2.87Å; L124-Q127 PolarHBondContact O-N 3.49Å; Q127-Y130 PolarHBondContact O-N 2.92Å; Q127-Q131 VanDerWaalsContact NE2-OE1 3.11Å; Q127-Q131 WeakPolarHBondContact O-CB 3.49Å; Q127-Q131 PolarHBondContact O-N 2.84Å; Q127-S137 PolarHBondContact NE2-O 2.81Å; Q127-V139 HydrophobicContact CB-CG2 4.19Å; Q127-V139 HydrophobicContact CG-CG2 3.91Å; Q127-L159 HydrophobicContact CG-CB 4.33Å |
| 128 | F | 81.4 | Confident | 79.9 | Confident | 42 Ų | 42 | 47.6 Ų | 47.6 | 18% | 0.184 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63 | -43.9 | 174.3 | 175.9 | -102.3 | 0 | 0 | 0 | 111.7 | L124 D125 S126 Q131 H132 M164 C167 K168 | L124-F128 VanDerWaalsContact O-CB 3.25Å; L124-F128 WeakPolarHBondContact O-CB 3.45Å; L124-F128 PolarHBondContact O-N 3.31Å; D125-F128 PolarHBondContact O-N 2.98Å; S126-F128 VanDerWaalsContact C-N 3.3Å; S126-F128 PolarHBondContact O-N 3.3Å; F128-Q131 PolarHBondContact O-N 2.95Å; F128-H132 VanDerWaalsContact O-CB 3.24Å; F128-H132 WeakPolarHBondContact O-CB 3.24Å; F128-H132 PolarHBondContact O-N 2.82Å; F128-M164 HydrophobicContact CD2-CG 4.33Å; F128-M164 HydrophobicContact CE2-CG 4.02Å; F128-C167 HydrophobicContact CD1-CB 4.48Å; F128-C167 HydrophobicContact CD2-CB 3.35Å; F128-C167 HydrophobicContact CE1-CB 4.41Å; F128-C167 HydrophobicContact CE2-CB 3.25Å; F128-C167 HydrophobicContact CG-CB 3.99Å; F128-C167 HydrophobicContact CZ-CB 3.82Å; F128-K168 HydrophobicContact CE2-CG 3.91Å; F128-K168 HydrophobicContact CZ-CB 4.37Å; F128-K168 HydrophobicContact CZ-CG 3.71Å |
| 129 | S | 83.5 | Confident | 80.8 | Confident | 74 Ų | 74 | 47 Ų | 47 | 52% | 0.517 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.9 | -48.9 | 175.9 | -171.6 | 0 | 0 | 0 | 0 | 111.6 | D125 S126 Q131 H132 A133 | D125-S129 PolarHBondContact O-N 3.19Å; S126-S129 WeakPolarHBondContact O-CB 3.28Å; S126-S129 PolarHBondContact O-N 2.98Å; S129-Q131 PolarHBondContact O-N 3.47Å; S129-H132 PolarHBondContact O-N 3.47Å; S129-A133 PolarHBondContact O-N 3.4Å; S129-A133 VanDerWaalsContact O-N 3.09Å |
| 130 | Y | 83.1 | Confident | 81.6 | Confident | 57 Ų | 57 | 46.7 Ų | 46.7 | 22% | 0.224 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.1 | -41.2 | 178.6 | -71 | -56.8 | 0 | 0 | 0 | 112.6 | H106 W109 S126 Q127 H132 A133 I134 S137 | H106-Y130 AromaticContact CE1-CD1 3.46Å; H106-Y130 VanDerWaalsContact CE1-CD1 3.46Å; H106-Y130 WeakPolarHBondContact CE1-CD1 2.99Å; H106-Y130 AromaticContact CE1-CE1 3.59Å; W109-Y130 AromaticContact CD1-CD2 3.5Å; W109-Y130 AromaticContact CD1-CE2 3.78Å; W109-Y130 HydrophobicContact CD2-CE2 4.37Å; W109-Y130 HydrophobicContact CG-CD2 4.24Å; W109-Y130 HydrophobicContact CG-CE2 4.06Å; W109-Y130 AromaticContact NE1-CD2 3.55Å; W109-Y130 AromaticContact NE1-CE2 3.95Å; S126-Y130 WeakPolarHBondContact O-CD2 3.45Å; S126-Y130 PolarHBondContact O-N 3.4Å; Q127-Y130 PolarHBondContact O-N 2.92Å; Y130-H132 VanDerWaalsContact C-N 3.3Å; Y130-H132 PolarHBondContact O-N 2.93Å; Y130-A133 PolarHBondContact O-N 3.36Å; Y130-I134 PolarHBondContact O-N 2.89Å; Y130-S137 WeakPolarHBondContact CB-OG 3.36Å |
| 131 | Q | 81 | Confident | 82.2 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.019 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -74.9 | -22.2 | 180 | -149.9 | 173.6 | -36.1 | 0 | 0 | 112.9 | Q127 F128 S129 I134 L159 M164 | Q127-Q131 VanDerWaalsContact NE2-OE1 3.11Å; Q127-Q131 WeakPolarHBondContact O-CB 3.49Å; Q127-Q131 PolarHBondContact O-N 2.84Å; F128-Q131 PolarHBondContact O-N 2.95Å; S129-Q131 PolarHBondContact O-N 3.47Å; Q131-I134 CarbonylContact C-O 3.59Å; Q131-I134 VanDerWaalsContact CA-O 3.25Å; Q131-I134 WeakPolarHBondContact CA-O 3.23Å; Q131-I134 CarbonylContact O-C 3.5Å; Q131-L159 PolarHBondContact NE2-O 3.37Å; Q131-M164 HydrophobicContact CB-CE 4.17Å; Q131-M164 HydrophobicContact CG-CE 3.56Å |
| 132 | H | 80 | Confident | 82.9 | Confident | 120 Ų | 120 | 40 Ų | 40 | 56% | 0.556 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -71.3 | -39.3 | 169.2 | -174.3 | 87.4 | 0 | 0 | 0 | 111.7 | F128 S129 Y130 K168 | F128-H132 VanDerWaalsContact O-CB 3.24Å; F128-H132 WeakPolarHBondContact O-CB 3.24Å; F128-H132 PolarHBondContact O-N 2.82Å; S129-H132 PolarHBondContact O-N 3.47Å; Y130-H132 VanDerWaalsContact C-N 3.3Å; Y130-H132 PolarHBondContact O-N 2.93Å; H132-K168 WeakPolarHBondContact ND1-CE 3.48Å |
| 133 | A | 81.1 | Confident | 83.2 | Confident | 79 Ų | 79 | 37.2 Ų | 37.2 | 65% | 0.653 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -73.8 | -37.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S129 Y130 | S129-A133 PolarHBondContact O-N 3.4Å; S129-A133 VanDerWaalsContact O-N 3.09Å; Y130-A133 PolarHBondContact O-N 3.36Å |
| 134 | I | 79.5 | Confident | 83.3 | Confident | 53 Ų | 53 | 37.3 Ų | 37.3 | 27% | 0.272 | 20% | 0.203 | S | C | . | . | trans | -140.6 | 109.9 | -173.9 | -52.5 | -178.6 | 0 | 0 | 0 | 109.1 | H106 Y130 Q131 E136 S137 | H106-I134 HydrophobicContact CB-CD1 4.08Å; H106-I134 WeakPolarHBondContact O-CD1 3.46Å; Y130-I134 PolarHBondContact O-N 2.89Å; Q131-I134 CarbonylContact C-O 3.59Å; Q131-I134 VanDerWaalsContact CA-O 3.25Å; Q131-I134 WeakPolarHBondContact CA-O 3.23Å; Q131-I134 CarbonylContact O-C 3.5Å; I134-E136 PolarHBondContact O-N 2.61Å; I134-E136 VanDerWaalsContact O-N 3.08Å; I134-S137 WeakPolarHBondContact O-CB 3.49Å; I134-S137 PolarHBondContact O-N 2.71Å; I134-S137 VanDerWaalsContact O-N 3.1Å | ||
| 135 | E | 75.6 | Confident | 83.3 | Confident | 120 Ų | 120 | 38.5 Ų | 38.5 | 56% | 0.561 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -25.4 | -173.6 | -175.3 | 166.4 | -168.2 | 0 | 0 | 114.3 | R158 | E135-R158 PolarHBondContact O-NH2 2.92Š|
| 136 | E | 79.5 | Confident | 83 | Confident | 72 Ų | 72 | 36 Ų | 36 | 34% | 0.336 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 12.1 | -177.2 | -62.8 | 168.7 | 142 | 0 | 0 | 113.2 | V26 V61 I134 V138 | V26-E136 HydrophobicContact CG2-CB 4.27Å; V26-E136 HydrophobicContact CG2-CG 4.12Å; V61-E136 WeakPolarHBondContact CG1-OE1 3.21Å; V61-E136 HydrophobicContact CG2-CB 4.23Å; V61-E136 VanDerWaalsContact CG2-CD 3.49Å; V61-E136 HydrophobicContact CG2-CG 4.43Å; V61-E136 WeakPolarHBondContact CG2-OE2 3.45Å; I134-E136 PolarHBondContact O-N 2.61Å; I134-E136 VanDerWaalsContact O-N 3.08Å; E136-V138 PolarHBondContact O-N 3.14Å |
| 137 | S | 83.9 | Confident | 82.8 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | trans | -62.2 | 129.4 | -180 | -175.6 | 0 | 0 | 0 | 0 | 113 | V107 Q127 Y130 I134 | V107-S137 WeakPolarHBondContact O-CA 3.2Å; Q127-S137 PolarHBondContact NE2-O 2.81Å; Y130-S137 WeakPolarHBondContact CB-OG 3.36Å; I134-S137 WeakPolarHBondContact O-CB 3.49Å; I134-S137 PolarHBondContact O-N 2.71Å; I134-S137 VanDerWaalsContact O-N 3.1Å | ||
| 138 | V | 87.5 | Confident | 82.5 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 145.5 | 177.5 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | I29 L66 V107 G108 W109 E136 A156 | I29-V138 HydrophobicContact CD1-CB 4.44Å; I29-V138 HydrophobicContact CD1-CG1 3.61Å; I29-V138 HydrophobicContact CD1-CG2 4.1Å; I29-V138 HydrophobicContact CG1-CG2 4.48Å; L66-V138 HydrophobicContact CD2-CB 4.17Å; L66-V138 HydrophobicContact CD2-CG2 3.7Å; V107-V138 PolarHBondContact O-N 2.94Å; G108-V138 VanDerWaalsContact CA-O 3.23Å; G108-V138 WeakPolarHBondContact CA-O 3.31Å; W109-V138 PolarHBondContact N-O 3.38Å; E136-V138 PolarHBondContact O-N 3.14Å; V138-A156 HydrophobicContact CG1-CB 4.03Å |
| 139 | V | 89.1 | Confident | 82 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 124 | 167.5 | -171 | 0 | 0 | 0 | 0 | 109.8 | W109 Q127 I141 A156 Y157 | W109-V139 HydrophobicContact CZ2-CG1 4.27Å; W109-V139 HydrophobicContact CZ2-CG2 4.24Å; W109-V139 WeakPolarHBondContact O-CA 3.24Å; Q127-V139 HydrophobicContact CB-CG2 4.19Å; Q127-V139 HydrophobicContact CG-CG2 3.91Å; V139-I141 HydrophobicContact CG1-CD1 4.38Å; V139-I141 HydrophobicContact CG1-CG1 3.89Å; V139-A156 WeakPolarHBondContact O-CA 3.45Å; V139-Y157 PolarHBondContact N-O 3.44Å; V139-Y157 PolarHBondContact O-N 2.88Å |
| 140 | L | 89.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 125.4 | 166.6 | -70.1 | 179.2 | 0 | 0 | 0 | 110.5 | I31 L57 I68 W109 Y110 Q111 L154 A156 I193 | I31-L140 HydrophobicContact CD1-CD1 3.8Å; I31-L140 HydrophobicContact CD1-CD2 3.89Å; L57-L140 HydrophobicContact CD1-CB 3.99Å; L57-L140 HydrophobicContact CD1-CD1 3.42Å; L57-L140 VanDerWaalsContact CD1-CD1 3.42Å; L57-L140 HydrophobicContact CD1-CG 3.54Å; L57-L140 HydrophobicContact CD2-CD1 3.8Å; L57-L140 HydrophobicContact CG-CD1 4.26Å; I68-L140 HydrophobicContact CD1-CD1 3.94Å; W109-L140 PolarHBondContact O-N 3.25Å; Y110-L140 CarbonylContact C-O 3.6Å; Y110-L140 WeakPolarHBondContact CA-O 3.23Å; Q111-L140 PolarHBondContact N-O 2.95Å; L140-L154 HydrophobicContact CD1-CD2 4.45Å; L140-L154 HydrophobicContact CD2-CD2 3.93Å; L140-L154 HydrophobicContact CD2-CG 4.44Å; L140-A156 HydrophobicContact CD2-CB 3.65Å; L140-I193 HydrophobicContact CD2-CD1 4.46Å |
| 141 | I | 89.4 | Confident | 80.7 | Confident | 7 Ų | 7 | 35.1 Ų | 35.1 | 4% | 0.036 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 117.2 | 179.6 | -52.3 | -170 | 0 | 0 | 0 | 108.3 | Q111 T113 F118 V139 K155 Y157 | Q111-I141 WeakPolarHBondContact O-CA 3.45Å; T113-I141 HydrophobicContact CG2-CG2 3.56Å; F118-I141 HydrophobicContact CB-CD1 3.79Å; F118-I141 HydrophobicContact CB-CG2 4.02Å; F118-I141 HydrophobicContact CD1-CD1 4.05Å; F118-I141 HydrophobicContact CD1-CG2 4.08Å; F118-I141 HydrophobicContact CD2-CD1 3.03Å; F118-I141 HydrophobicContact CD2-CG1 4.49Å; F118-I141 HydrophobicContact CE1-CD1 4.38Å; F118-I141 HydrophobicContact CE2-CD1 3.43Å; F118-I141 VanDerWaalsContact CE2-CD1 3.43Å; F118-I141 HydrophobicContact CG-CD1 3.36Å; F118-I141 HydrophobicContact CG-CG2 4.07Å; F118-I141 HydrophobicContact CZ-CD1 4.11Å; V139-I141 HydrophobicContact CG1-CD1 4.38Å; V139-I141 HydrophobicContact CG1-CG1 3.89Å; I141-K155 PolarHBondContact N-O 3.08Å; I141-K155 PolarHBondContact O-N 2.89Å; I141-Y157 HydrophobicContact CD1-CD2 3.45Å; I141-Y157 VanDerWaalsContact CD1-CD2 3.45Å; I141-Y157 HydrophobicContact CD1-CE2 3.84Å; I141-Y157 HydrophobicContact CG1-CD2 3.99Å; I141-Y157 HydrophobicContact CG1-CE2 4.46Å |
| 142 | Y | 88.9 | Confident | 80.7 | Confident | 10 Ų | 10 | 38.9 Ų | 38.9 | 4% | 0.039 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 121.8 | 179.9 | 175.8 | -117 | 0 | 0 | 0 | 110.2 | I39 I40 Y43 Q111 S112 T113 P144 T147 L152 L154 | I39-Y142 HydrophobicContact CG2-CD1 3.71Å; I39-Y142 HydrophobicContact CG2-CD2 4.47Å; I39-Y142 HydrophobicContact CG2-CE1 4.4Å; I39-Y142 HydrophobicContact CG2-CG 3.75Å; I40-Y142 HydrophobicContact CG1-CE2 4.2Å; Y43-Y142 HydrophobicContact CG-CE1 4.31Å; Q111-Y142 PolarHBondContact O-N 2.88Å; S112-Y142 CarbonylContact C-O 3.51Å; S112-Y142 VanDerWaalsContact CA-O 3.3Å; S112-Y142 WeakPolarHBondContact CA-O 3.29Å; T113-Y142 PolarHBondContact N-O 3.09Å; Y142-P144 HydrophobicContact CE1-CB 3.81Å; Y142-P144 WeakPolarHBondContact O-CD 3.31Å; Y142-T147 HydrophobicContact CE2-CG2 4.18Å; Y142-T147 WeakPolarHBondContact CE2-OG1 3.39Å; Y142-L152 HydrophobicContact CE2-CD1 4.12Å; Y142-L154 HydrophobicContact CD2-CD1 4.21Å |
| 143 | D | 86.1 | Confident | 80.8 | Confident | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 103.6 | 174 | -171.9 | -25.3 | 0 | 0 | 0 | 109.8 | T113 I145 K146 T147 S153 | T113-D143 HydrophobicContact CG2-CB 4.11Å; D143-I145 VanDerWaalsContact C-N 3.32Å; D143-I145 PolarHBondContact O-N 3.43Å; D143-I145 PolarHBondContact OD1-N 3.11Å; D143-K146 HydrophobicContact CB-CB 4.31Å; D143-K146 HydrophobicContact CB-CD 4.39Å; D143-K146 HydrophobicContact CB-CG 4.49Å; D143-K146 PolarHBondContact OD1-N 3.08Å; D143-K146 VanDerWaalsContact OD1-N 3.14Å; D143-K146 WeakPolarHBondContact OD2-CD 3.31Å; D143-K146 VanDerWaalsContact OD2-CE 3.29Å; D143-K146 WeakPolarHBondContact OD2-CE 3.31Å; D143-K146 WeakPolarHBondContact OD2-CG 3.44Å; D143-K146 IonicContact OD2-NZ 2.83Å; D143-T147 WeakPolarHBondContact O-CB 3.36Å; D143-T147 PolarHBondContact O-N 3.23Å; D143-T147 VanDerWaalsContact O-N 3.15Å; D143-T147 PolarHBondContact O-OG1 3.42Å; D143-S153 PolarHBondContact N-O 2.91Å; D143-S153 VanDerWaalsContact N-O 3.12Å |
| 144 | P | 81.7 | Confident | 81 | Confident | 8 Ų | 8 | 31.3 Ų | 31.3 | 5% | 0.052 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71.5 | -27.9 | -177.9 | 27.1 | -31.9 | 0 | 0 | 0 | 112.7 | Y43 T113 Y142 T147 A148 | Y43-P144 HydrophobicContact CD1-CB 3.43Å; Y43-P144 VanDerWaalsContact CD1-CB 3.43Å; Y43-P144 HydrophobicContact CD1-CG 4Å; Y43-P144 HydrophobicContact CD2-CB 4.25Å; Y43-P144 HydrophobicContact CD2-CG 3.95Å; Y43-P144 HydrophobicContact CE1-CB 3.17Å; Y43-P144 HydrophobicContact CE1-CG 3.53Å; Y43-P144 HydrophobicContact CE2-CB 4.07Å; Y43-P144 HydrophobicContact CE2-CG 3.5Å; Y43-P144 VanDerWaalsContact CE2-CG 3.5Å; Y43-P144 HydrophobicContact CG-CB 3.96Å; Y43-P144 HydrophobicContact CG-CG 4.18Å; T113-P144 WeakPolarHBondContact O-CD 3.05Å; Y142-P144 HydrophobicContact CE1-CB 3.81Å; Y142-P144 WeakPolarHBondContact O-CD 3.31Å; P144-T147 PolarHBondContact O-N 2.99Å; P144-A148 WeakPolarHBondContact O-CB 3.46Å; P144-A148 PolarHBondContact O-N 2.99Å |
| 145 | I | 79.1 | Confident | 81.3 | Confident | 27 Ų | 27 | 29.8 Ų | 29.8 | 14% | 0.138 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -74.2 | -41.9 | -175.5 | -55.1 | 176.1 | 0 | 0 | 0 | 109.9 | Y114 Y115 D143 T147 Q149 | Y114-I145 HydrophobicContact CD2-CD1 3.6Å; Y114-I145 HydrophobicContact CE1-CD1 4.49Å; Y114-I145 HydrophobicContact CE2-CD1 3.42Å; Y114-I145 VanDerWaalsContact CE2-CD1 3.42Å; Y114-I145 HydrophobicContact CE2-CG1 4.46Å; Y114-I145 HydrophobicContact CG-CD1 4.21Å; Y115-I145 HydrophobicContact CD2-CD1 3.4Å; Y115-I145 HydrophobicContact CE1-CG2 4.46Å; Y115-I145 HydrophobicContact CE2-CD1 3.19Å; Y115-I145 HydrophobicContact CG-CD1 4.19Å; D143-I145 VanDerWaalsContact C-N 3.32Å; D143-I145 PolarHBondContact O-N 3.43Å; D143-I145 PolarHBondContact OD1-N 3.11Å; I145-T147 VanDerWaalsContact C-N 3.33Å; I145-Q149 WeakPolarHBondContact O-CG 3.49Å; I145-Q149 PolarHBondContact O-N 3Å |
| 146 | K | 76.4 | Confident | 81.9 | Confident | 24 Ų | 24 | 24.1 Ų | 24.1 | 10% | 0.104 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.1 | -37.2 | 171.3 | -71 | -176.6 | -167.9 | 171.1 | 0 | 111.9 | D143 A148 Q149 S151 N319 | D143-K146 HydrophobicContact CB-CB 4.31Å; D143-K146 HydrophobicContact CB-CD 4.39Å; D143-K146 HydrophobicContact CB-CG 4.49Å; D143-K146 PolarHBondContact OD1-N 3.08Å; D143-K146 VanDerWaalsContact OD1-N 3.14Å; D143-K146 WeakPolarHBondContact OD2-CD 3.31Å; D143-K146 VanDerWaalsContact OD2-CE 3.29Å; D143-K146 WeakPolarHBondContact OD2-CE 3.31Å; D143-K146 WeakPolarHBondContact OD2-CG 3.44Å; D143-K146 IonicContact OD2-NZ 2.83Å; K146-A148 VanDerWaalsContact C-N 3.34Å; K146-A148 PolarHBondContact O-N 3.28Å; K146-Q149 WeakPolarHBondContact O-CB 3.45Å; K146-Q149 PolarHBondContact O-N 2.72Å; K146-S151 CarbonylContact C-O 3.49Å; K146-N319 PolarHBondContact NZ-ND2 3.5Å; K146-N319 VanDerWaalsContact NZ-ND2 3.16Å; K146-N319 PolarHBondContact NZ-OD1 3.17Å |
| 147 | T | 80.1 | Confident | 82.2 | Confident | 29 Ų | 29 | 21.4 Ų | 21.4 | 18% | 0.178 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.9 | -40.3 | 176.9 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | Y142 D143 P144 I145 Q149 G150 S151 L152 S153 | Y142-T147 HydrophobicContact CE2-CG2 4.18Å; Y142-T147 WeakPolarHBondContact CE2-OG1 3.39Å; D143-T147 WeakPolarHBondContact O-CB 3.36Å; D143-T147 PolarHBondContact O-N 3.23Å; D143-T147 VanDerWaalsContact O-N 3.15Å; D143-T147 PolarHBondContact O-OG1 3.42Å; P144-T147 PolarHBondContact O-N 2.99Å; I145-T147 VanDerWaalsContact C-N 3.33Å; T147-Q149 PolarHBondContact O-N 2.93Å; T147-G150 PolarHBondContact O-N 2.98Å; T147-S151 VanDerWaalsContact CA-O 3.29Å; T147-S151 WeakPolarHBondContact CA-O 3.46Å; T147-L152 HydrophobicContact CG2-CD1 3.97Å; T147-S153 PolarHBondContact OG1-N 2.99Å |
| 148 | A | 75.7 | Confident | 82.2 | Confident | 66 Ų | 66 | 22.3 Ų | 22.3 | 55% | 0.545 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -15.1 | 173 | 0 | 0 | 0 | 0 | 0 | 114 | P144 K146 G150 | P144-A148 WeakPolarHBondContact O-CB 3.46Å; P144-A148 PolarHBondContact O-N 2.99Å; K146-A148 VanDerWaalsContact C-N 3.34Å; K146-A148 PolarHBondContact O-N 3.28Å; A148-G150 VanDerWaalsContact C-N 3.3Å |
| 149 | Q | 70 | Confident | 81.9 | Confident | 39 Ų | 39 | 22.3 Ų | 22.3 | 18% | 0.182 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 4.5 | 173.5 | -68.1 | 171.4 | 19 | 0 | 0 | 112.9 | I145 K146 T147 H228 | I145-Q149 WeakPolarHBondContact O-CG 3.49Å; I145-Q149 PolarHBondContact O-N 3Å; K146-Q149 WeakPolarHBondContact O-CB 3.45Å; K146-Q149 PolarHBondContact O-N 2.72Å; T147-Q149 PolarHBondContact O-N 2.93Å; Q149-H228 VanDerWaalsContact NE2-CB 3.31Å; Q149-H228 PolarHBondContact NE2-ND1 3.25Å |
| 150 | G | 65.8 | Low | 81.4 | Confident | 35 Ų | 35 | 23.2 Ų | 23.2 | 36% | 0.361 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 106.5 | -10.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | T147 A148 | T147-G150 PolarHBondContact O-N 2.98Å; A148-G150 VanDerWaalsContact C-N 3.3Å |
| 151 | S | 74.2 | Confident | 80.6 | Confident | 38 Ų | 38 | 26.8 Ų | 26.8 | 27% | 0.266 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -111 | 119.2 | 174.8 | 64.2 | 0 | 0 | 0 | 0 | 111.4 | K146 T147 S153 | K146-S151 CarbonylContact C-O 3.49Å; T147-S151 VanDerWaalsContact CA-O 3.29Å; T147-S151 WeakPolarHBondContact CA-O 3.46Å; S151-S153 PolarHBondContact O-N 3.12Å |
| 152 | L | 81.1 | Confident | 79.5 | Confident | 82 Ų | 82 | 32.6 Ų | 32.6 | 43% | 0.429 | 19% | 0.189 | S | C | . | . | trans | -59.8 | 110.6 | 173.6 | 179 | 64.6 | 0 | 0 | 0 | 110.1 | V36 Y142 T147 I195 | V36-L152 HydrophobicContact CG1-CD1 4.28Å; V36-L152 HydrophobicContact CG1-CD2 4.2Å; Y142-L152 HydrophobicContact CE2-CD1 4.12Å; T147-L152 HydrophobicContact CG2-CD1 3.97Å; L152-I195 HydrophobicContact CD2-CD1 4.08Å | ||
| 153 | S | 81.5 | Confident | 78.5 | Confident | 16 Ų | 16 | 32.8 Ų | 32.8 | 11% | 0.112 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 88.1 | 178.4 | 177.8 | 0 | 0 | 0 | 0 | 109.5 | D143 T147 S151 | D143-S153 PolarHBondContact N-O 2.91Å; D143-S153 VanDerWaalsContact N-O 3.12Å; T147-S153 PolarHBondContact OG1-N 2.99Å; S151-S153 PolarHBondContact O-N 3.12Å |
| 154 | L | 85.8 | Confident | 77.6 | Confident | 25 Ų | 25 | 33.4 Ų | 33.4 | 13% | 0.131 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 118.9 | 169.3 | -160.1 | 95.7 | 0 | 0 | 0 | 108 | I31 L140 Y142 I193 | I31-L154 HydrophobicContact CD1-CD2 3.4Å; I31-L154 VanDerWaalsContact CD1-CD2 3.4Å; L140-L154 HydrophobicContact CD1-CD2 4.45Å; L140-L154 HydrophobicContact CD2-CD2 3.93Å; L140-L154 HydrophobicContact CD2-CG 4.44Å; Y142-L154 HydrophobicContact CD2-CD1 4.21Å; L154-I193 HydrophobicContact CB-CD1 4.26Å; L154-I193 HydrophobicContact CD2-CD1 3.75Å; L154-I193 HydrophobicContact CD2-CG1 4.42Å; L154-I193 HydrophobicContact CD2-CG2 4.16Å; L154-I193 HydrophobicContact CG-CD1 4.2Å; L154-I193 WeakPolarHBondContact O-CD1 3.26Å |
| 155 | K | 86.4 | Confident | 76.9 | Confident | 21 Ų | 21 | 39.1 Ų | 39.1 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 133.2 | 175.9 | -60.9 | -165.3 | 179.3 | -169.5 | 0 | 109.3 | I141 Y157 N319 | I141-K155 PolarHBondContact N-O 3.08Å; I141-K155 PolarHBondContact O-N 2.89Å; K155-Y157 HydrophobicContact CB-CD2 4.23Å; K155-Y157 HydrophobicContact CB-CE2 3.55Å; K155-Y157 HydrophobicContact CD-CE2 4.21Å; K155-Y157 VanDerWaalsContact CD-OH 3.23Å; K155-Y157 WeakPolarHBondContact CD-OH 3.49Å; K155-N319 PolarHBondContact NZ-OD1 3.14Å |
| 156 | A | 88 | Confident | 76.3 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 122.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | I29 V138 V139 L140 E190 V191 I193 | I29-A156 HydrophobicContact CD1-CB 3.29Å; V138-A156 HydrophobicContact CG1-CB 4.03Å; V139-A156 WeakPolarHBondContact O-CA 3.45Å; L140-A156 HydrophobicContact CD2-CB 3.65Å; A156-E190 WeakPolarHBondContact O-CA 3.27Å; A156-V191 PolarHBondContact O-N 3.18Å; A156-I193 HydrophobicContact CB-CD1 3.77Å; A156-I193 HydrophobicContact CB-CG1 3.74Å |
| 157 | Y | 86.3 | Confident | 75.5 | Confident | 16 Ų | 16 | 38.2 Ų | 38.2 | 6% | 0.063 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 141 | 178.9 | -68 | -72.2 | 0 | 0 | 0 | 111 | F118 V139 I141 K155 F188 E190 N315 | F118-Y157 HydrophobicContact CE1-CE2 4.1Å; F118-Y157 AromaticContact CE2-CD2 3.89Å; F118-Y157 HydrophobicContact CE2-CD2 3.89Å; F118-Y157 AromaticContact CE2-CE2 3.59Å; F118-Y157 HydrophobicContact CE2-CE2 3.59Å; F118-Y157 HydrophobicContact CZ-CD2 4.09Å; F118-Y157 AromaticContact CZ-CE2 3.31Å; F118-Y157 HydrophobicContact CZ-CE2 3.31Å; F118-Y157 AromaticContact CZ-CZ 3.61Å; V139-Y157 PolarHBondContact N-O 3.44Å; V139-Y157 PolarHBondContact O-N 2.88Å; I141-Y157 HydrophobicContact CD1-CD2 3.45Å; I141-Y157 VanDerWaalsContact CD1-CD2 3.45Å; I141-Y157 HydrophobicContact CD1-CE2 3.84Å; I141-Y157 HydrophobicContact CG1-CD2 3.99Å; I141-Y157 HydrophobicContact CG1-CE2 4.46Å; K155-Y157 HydrophobicContact CB-CD2 4.23Å; K155-Y157 HydrophobicContact CB-CE2 3.55Å; K155-Y157 HydrophobicContact CD-CE2 4.21Å; K155-Y157 VanDerWaalsContact CD-OH 3.23Å; K155-Y157 WeakPolarHBondContact CD-OH 3.49Å; Y157-F188 HydrophobicContact CD1-CB 3.87Å; Y157-F188 HydrophobicContact CG-CB 4.46Å; Y157-E190 HydrophobicContact CD1-CB 4.23Å; Y157-E190 HydrophobicContact CE1-CB 3.98Å; Y157-E190 HydrophobicContact CE1-CG 4.25Å; Y157-N315 PolarHBondContact OH-ND2 2.97Å |
| 158 | R | 84.1 | Confident | 74.7 | Confident | 20 Ų | 20 | 42.1 Ų | 42.1 | 8% | 0.075 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 144.2 | 170.2 | -171.6 | 177.2 | -179.8 | -169.7 | -1.1 | 109.7 | E135 F188 E189 V191 | E135-R158 PolarHBondContact O-NH2 2.92Å; R158-F188 WeakPolarHBondContact O-CA 3.42Å; R158-E189 PolarHBondContact N-O 3.43Å; R158-E189 PolarHBondContact O-N 3.37Å; R158-V191 HydrophobicContact CB-CG2 4.16Å |
| 159 | L | 80.8 | Confident | 74 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 133 | 174.4 | -160.6 | 73.7 | 0 | 0 | 0 | 110.1 | L124 Q127 Q131 L163 F188 | L124-L159 HydrophobicContact CD1-CD1 4.21Å; Q127-L159 HydrophobicContact CG-CB 4.33Å; Q131-L159 PolarHBondContact NE2-O 3.37Å; L159-L163 HydrophobicContact CD1-CB 4.46Å; L159-L163 HydrophobicContact CD1-CD1 4.34Å; L159-L163 HydrophobicContact CD1-CD2 4.08Å; L159-L163 HydrophobicContact CD2-CB 4.39Å; L159-L163 HydrophobicContact CD2-CD2 4.04Å; L159-L163 HydrophobicContact CG-CB 4.15Å; L159-L163 HydrophobicContact CG-CD2 4.31Å; L159-F188 HydrophobicContact CD1-CD1 4.17Å; L159-F188 HydrophobicContact CD1-CE1 3.82Å; L159-F188 HydrophobicContact CD1-CZ 4.37Å |
| 160 | T | 78.9 | Confident | 73.6 | Confident | 21 Ų | 21 | 51.5 Ų | 51.5 | 13% | 0.129 | 26% | 0.261 | C | S | . | . | trans | -62.3 | 136.8 | 177.1 | -52.7 | 0 | 0 | 0 | 0 | 110.7 | K162 L163 M164 N186 M187 | T160-K162 HydrophobicContact CG2-CB 4.04Å; T160-K162 HydrophobicContact CG2-CD 4.43Å; T160-K162 HydrophobicContact CG2-CG 4.19Å; T160-K162 PolarHBondContact O-N 2.98Å; T160-K162 VanDerWaalsContact O-N 3.12Å; T160-L163 WeakPolarHBondContact O-CB 3.5Å; T160-L163 PolarHBondContact O-N 3.21Å; T160-M164 PolarHBondContact O-N 3.44Å; T160-N186 WeakPolarHBondContact CB-O 3.47Å; T160-N186 PolarHBondContact OG1-O 2.99Å; T160-M187 PolarHBondContact N-O 3.36Å; T160-M187 PolarHBondContact OG1-O 3.12Å | ||
| 161 | P | 71.5 | Confident | 72.9 | Confident | 76 Ų | 76 | 53.5 Ų | 53.5 | 49% | 0.494 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.4 | -31 | 179.7 | 19.5 | -31.7 | 0 | 0 | 0 | 113.3 | L163 M164 E165 | P161-L163 VanDerWaalsContact C-N 3.25Å; P161-L163 PolarHBondContact O-N 2.92Å; P161-M164 VanDerWaalsContact O-CB 3.3Å; P161-M164 WeakPolarHBondContact O-CB 3.47Å; P161-M164 PolarHBondContact O-N 3.03Å; P161-M164 VanDerWaalsContact O-N 3.09Å; P161-E165 PolarHBondContact O-N 3.22Å; P161-E165 VanDerWaalsContact O-N 3.08Å |
| 162 | K | 67.4 | Low | 72 | Confident | 129 Ų | 129 | 56 Ų | 56 | 56% | 0.561 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -58.8 | -34.6 | 173.2 | -63.4 | -179.6 | -179.7 | 175.8 | 0 | 113.2 | T160 I166 | T160-K162 HydrophobicContact CG2-CB 4.04Å; T160-K162 HydrophobicContact CG2-CD 4.43Å; T160-K162 HydrophobicContact CG2-CG 4.19Å; T160-K162 PolarHBondContact O-N 2.98Å; T160-K162 VanDerWaalsContact O-N 3.12Å; K162-I166 WeakPolarHBondContact O-CD1 3.38Å; K162-I166 WeakPolarHBondContact O-CG1 3.47Å |
| 163 | L | 66.9 | Low | 70.6 | Confident | 14 Ų | 14 | 55.7 Ų | 55.7 | 7% | 0.073 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -80.5 | -31 | 178 | -149.3 | 150.1 | 0 | 0 | 0 | 110.6 | L124 L159 T160 P161 E165 I166 C167 V182 M187 | L124-L163 HydrophobicContact CD1-CD2 4.16Å; L159-L163 HydrophobicContact CD1-CB 4.46Å; L159-L163 HydrophobicContact CD1-CD1 4.34Å; L159-L163 HydrophobicContact CD1-CD2 4.08Å; L159-L163 HydrophobicContact CD2-CB 4.39Å; L159-L163 HydrophobicContact CD2-CD2 4.04Å; L159-L163 HydrophobicContact CG-CB 4.15Å; L159-L163 HydrophobicContact CG-CD2 4.31Å; T160-L163 WeakPolarHBondContact O-CB 3.5Å; T160-L163 PolarHBondContact O-N 3.21Å; P161-L163 VanDerWaalsContact C-N 3.25Å; P161-L163 PolarHBondContact O-N 2.92Å; L163-E165 VanDerWaalsContact C-N 3.35Å; L163-E165 PolarHBondContact O-N 3.07Å; L163-I166 PolarHBondContact O-N 3.05Å; L163-C167 WeakPolarHBondContact O-CB 3.39Å; L163-C167 PolarHBondContact O-N 3.06Å; L163-V182 HydrophobicContact CD1-CG1 4.13Å; L163-M187 HydrophobicContact CD1-CB 3.91Å; L163-M187 HydrophobicContact CD1-CE 3.89Å; L163-M187 HydrophobicContact CD1-CG 3.53Å; L163-M187 HydrophobicContact CD1-SD 4.34Å |
| 164 | M | 67.2 | Low | 69.2 | Low | 15 Ų | 15 | 56.7 Ų | 56.7 | 7% | 0.074 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 173 | -165.5 | -159 | -68 | 0 | 0 | 112 | F128 Q131 T160 P161 K168 | F128-M164 HydrophobicContact CD2-CG 4.33Å; F128-M164 HydrophobicContact CE2-CG 4.02Å; Q131-M164 HydrophobicContact CB-CE 4.17Å; Q131-M164 HydrophobicContact CG-CE 3.56Å; T160-M164 PolarHBondContact O-N 3.44Å; P161-M164 VanDerWaalsContact O-CB 3.3Å; P161-M164 WeakPolarHBondContact O-CB 3.47Å; P161-M164 PolarHBondContact O-N 3.03Å; P161-M164 VanDerWaalsContact O-N 3.09Å; M164-K168 HydrophobicContact CG-CD 4.41Å; M164-K168 WeakPolarHBondContact O-CB 3.39Å; M164-K168 VanDerWaalsContact O-CG 3.28Å; M164-K168 WeakPolarHBondContact O-CG 3.44Å; M164-K168 PolarHBondContact O-N 3.44Å; M164-K168 PolarHBondContact SD-NZ 3.17Å |
| 165 | E | 68.3 | Low | 67.6 | Low | 128 Ų | 128 | 62 Ų | 62 | 60% | 0.598 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -63 | -44.4 | 175.4 | -70.8 | 179.3 | 167.2 | 0 | 0 | 111.8 | P161 L163 C167 K168 E169 | P161-E165 PolarHBondContact O-N 3.22Å; P161-E165 VanDerWaalsContact O-N 3.08Å; L163-E165 VanDerWaalsContact C-N 3.35Å; L163-E165 PolarHBondContact O-N 3.07Å; E165-C167 PolarHBondContact O-N 2.87Å; E165-K168 WeakPolarHBondContact O-CB 3.38Å; E165-K168 PolarHBondContact O-N 3.24Å; E165-E169 WeakPolarHBondContact O-CG 3.41Å; E165-E169 PolarHBondContact O-N 3.25Å |
| 166 | I | 66.4 | Low | 66.1 | Low | 23 Ų | 23 | 61.9 Ų | 61.9 | 12% | 0.118 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.3 | -41 | 179.1 | -61.7 | 164.7 | 0 | 0 | 0 | 111.6 | K162 L163 E169 K170 A180 V182 | K162-I166 WeakPolarHBondContact O-CD1 3.38Å; K162-I166 WeakPolarHBondContact O-CG1 3.47Å; L163-I166 PolarHBondContact O-N 3.05Å; I166-E169 PolarHBondContact O-N 2.98Å; I166-K170 PolarHBondContact O-N 2.91Å; I166-A180 HydrophobicContact CD1-CB 3.41Å; I166-A180 VanDerWaalsContact CD1-CB 3.41Å; I166-A180 HydrophobicContact CG1-CB 4.23Å; I166-V182 HydrophobicContact CD1-CG2 3.77Å |
| 167 | C | 59.2 | Low | 64.6 | Low | 10 Ų | 10 | 63.9 Ų | 63.9 | 7% | 0.068 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.5 | -33.1 | 176 | -82.8 | 0 | 0 | 0 | 0 | 112.3 | F128 L163 E165 E169 K170 | F128-C167 HydrophobicContact CD1-CB 4.48Å; F128-C167 HydrophobicContact CD2-CB 3.35Å; F128-C167 HydrophobicContact CE1-CB 4.41Å; F128-C167 HydrophobicContact CE2-CB 3.25Å; F128-C167 HydrophobicContact CG-CB 3.99Å; F128-C167 HydrophobicContact CZ-CB 3.82Å; L163-C167 WeakPolarHBondContact O-CB 3.39Å; L163-C167 PolarHBondContact O-N 3.06Å; E165-C167 PolarHBondContact O-N 2.87Å; C167-E169 VanDerWaalsContact C-N 3.34Å; C167-K170 PolarHBondContact O-N 3.26Å |
| 168 | K | 62.8 | Low | 63.2 | Low | 111 Ų | 111 | 70.7 Ų | 70.7 | 48% | 0.483 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.5 | -38.4 | 172 | -79.8 | 172.8 | 178.9 | 172.4 | 0 | 111.7 | F128 H132 M164 E165 K170 | F128-K168 HydrophobicContact CE2-CG 3.91Å; F128-K168 HydrophobicContact CZ-CB 4.37Å; F128-K168 HydrophobicContact CZ-CG 3.71Å; H132-K168 WeakPolarHBondContact ND1-CE 3.48Å; M164-K168 HydrophobicContact CG-CD 4.41Å; M164-K168 WeakPolarHBondContact O-CB 3.39Å; M164-K168 VanDerWaalsContact O-CG 3.28Å; M164-K168 WeakPolarHBondContact O-CG 3.44Å; M164-K168 PolarHBondContact O-N 3.44Å; M164-K168 PolarHBondContact SD-NZ 3.17Å; E165-K168 WeakPolarHBondContact O-CB 3.38Å; E165-K168 PolarHBondContact O-N 3.24Å; K168-K170 VanDerWaalsContact C-N 3.26Å; K168-K170 PolarHBondContact O-N 3.32Å |
| 169 | E | 61.5 | Low | 61.9 | Low | 134 Ų | 134 | 78.1 Ų | 78.1 | 63% | 0.626 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -75.3 | -11.6 | 178.2 | -70.1 | -179 | 165.1 | 0 | 0 | 113.3 | E165 I166 C167 D171 | E165-E169 WeakPolarHBondContact O-CG 3.41Å; E165-E169 PolarHBondContact O-N 3.25Å; I166-E169 PolarHBondContact O-N 2.98Å; C167-E169 VanDerWaalsContact C-N 3.34Å; E169-D171 HydrophobicContact CB-CB 4.36Å; E169-D171 PolarHBondContact O-N 3.47Å |
| 170 | K | 60.7 | Low | 60.4 | Low | 168 Ų | 168 | 80 Ų | 80 | 73% | 0.73 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 20.3 | -173.4 | -66.4 | -173.6 | 176.8 | -178 | 0 | 113.7 | I166 C167 K168 F172 | I166-K170 PolarHBondContact O-N 2.91Å; C167-K170 PolarHBondContact O-N 3.26Å; K168-K170 VanDerWaalsContact C-N 3.26Å; K168-K170 PolarHBondContact O-N 3.32Å; K170-F172 VanDerWaalsContact C-N 3.31Å; K170-F172 PolarHBondContact O-N 2.86Å |
| 171 | D | 52.7 | Low | 59.3 | Low | 77 Ų | 77 | 83.7 Ų | 83.7 | 41% | 0.412 | 42% | 0.421 | S | S | . | . | trans | -86 | 73.1 | -179.9 | -87.6 | -23 | 0 | 0 | 0 | 110.1 | E169 T173 | E169-D171 HydrophobicContact CB-CB 4.36Å; E169-D171 PolarHBondContact O-N 3.47Å; D171-T173 PolarHBondContact O-N 3.28Å | ||
| 172 | F | 55.1 | Low | 58.7 | Low | 89 Ų | 89 | 80.8 Ų | 80.8 | 39% | 0.39 | 40% | 0.402 | S | S | . | . | trans | -72.1 | 13.3 | 167.5 | -61 | -64.9 | 0 | 0 | 0 | 113 | K170 M304 | K170-F172 VanDerWaalsContact C-N 3.31Å; K170-F172 PolarHBondContact O-N 2.86Å; F172-M304 HydrophobicContact CD1-CB 4.44Å; F172-M304 HydrophobicContact CD1-CE 3.67Å; F172-M304 HydrophobicContact CD1-SD 3.51Å; F172-M304 VanDerWaalsContact CD1-SD 3.51Å; F172-M304 HydrophobicContact CE1-CE 3.49Å; F172-M304 VanDerWaalsContact CE1-CE 3.49Å; F172-M304 HydrophobicContact CE1-SD 3.2Å; F172-M304 WeakPolarHBondContact CE1-SD 3.44Å; F172-M304 HydrophobicContact CG-CE 4.34Å; F172-M304 HydrophobicContact CZ-CE 3.98Å; F172-M304 HydrophobicContact CZ-SD 4.14Å | ||
| 173 | T | 51.2 | Low | 58.2 | Low | 77 Ų | 77 | 76.1 Ų | 76.1 | 47% | 0.472 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -75.7 | 142.5 | -179.2 | 3.3 | 0 | 0 | 0 | 0 | 110.8 | D171 E175 G176 L177 | D171-T173 PolarHBondContact O-N 3.28Å; T173-E175 PolarHBondContact O-N 3.18Å; T173-G176 PolarHBondContact O-N 3.09Å; T173-L177 PolarHBondContact O-N 2.93Å |
| 174 | T | 51.7 | Low | 57.7 | Low | 36 Ų | 36 | 79.4 Ų | 79.4 | 22% | 0.221 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -56.8 | -19.5 | -177 | 52.3 | 0 | 0 | 0 | 0 | 114.2 | K178 A300 R303 | T174-K178 WeakPolarHBondContact O-CB 3.48Å; T174-K178 PolarHBondContact O-N 3.07Å; T174-A300 HydrophobicContact CG2-CB 3.59Å; T174-R303 HydrophobicContact CG2-CG 4.08Å |
| 175 | E | 52.1 | Low | 57.5 | Low | 138 Ų | 138 | 85.2 Ų | 85.2 | 65% | 0.645 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -84.1 | -35 | 177.7 | -59.3 | -167.9 | 166.4 | 0 | 0 | 113 | T173 K178 K179 | T173-E175 PolarHBondContact O-N 3.18Å; E175-K178 PolarHBondContact O-N 3.42Å; E175-K179 WeakPolarHBondContact O-CB 3.43Å; E175-K179 VanDerWaalsContact O-CG 3.27Å; E175-K179 WeakPolarHBondContact O-CG 3.42Å; E175-K179 PolarHBondContact O-N 3.11Å |
| 176 | G | 55 | Low | 57.2 | Low | 18 Ų | 18 | 83.4 Ų | 83.4 | 19% | 0.186 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -65.9 | -44.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | T173 K178 K179 A180 | T173-G176 PolarHBondContact O-N 3.09Å; G176-K178 VanDerWaalsContact C-N 3.35Å; G176-K178 PolarHBondContact O-N 2.78Å; G176-K179 PolarHBondContact O-N 3.4Å; G176-A180 WeakPolarHBondContact O-CB 3.46Å; G176-A180 PolarHBondContact O-N 3.16Å |
| 177 | L | 56.8 | Low | 57.3 | Low | 42 Ų | 42 | 82.6 Ų | 82.6 | 22% | 0.22 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -65.9 | -35.1 | 176.2 | -166.1 | 65.2 | 0 | 0 | 0 | 112.9 | T173 S181 V182 R303 L307 | T173-L177 PolarHBondContact O-N 2.93Å; L177-S181 PolarHBondContact O-N 3.36Å; L177-V182 HydrophobicContact CD1-CB 4.25Å; L177-R303 HydrophobicContact CD2-CB 3.76Å; L177-L307 HydrophobicContact CD1-CD2 4.19Å |
| 178 | K | 57.4 | Low | 58.1 | Low | 158 Ų | 158 | 83.9 Ų | 83.9 | 69% | 0.687 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -70.1 | -41.4 | 175 | -115.3 | -175.9 | 173.9 | -173.4 | 0 | 112.3 | T174 E175 G176 A180 | T174-K178 WeakPolarHBondContact O-CB 3.48Å; T174-K178 PolarHBondContact O-N 3.07Å; E175-K178 PolarHBondContact O-N 3.42Å; G176-K178 VanDerWaalsContact C-N 3.35Å; G176-K178 PolarHBondContact O-N 2.78Å; K178-A180 VanDerWaalsContact C-N 3.32Å |
| 179 | K | 55.3 | Low | 59 | Low | 177 Ų | 177 | 83.4 Ų | 83.4 | 77% | 0.77 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -65.2 | -37 | 177.7 | -77.9 | 175.8 | -179.2 | 177.3 | 0 | 111.7 | E175 G176 | E175-K179 WeakPolarHBondContact O-CB 3.43Å; E175-K179 VanDerWaalsContact O-CG 3.27Å; E175-K179 WeakPolarHBondContact O-CG 3.42Å; E175-K179 PolarHBondContact O-N 3.11Å; G176-K179 PolarHBondContact O-N 3.4Å |
| 180 | A | 51.2 | Low | 60 | Low | 39 Ų | 39 | 82 Ų | 82 | 32% | 0.322 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -84.3 | -12.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | I166 G176 K178 V182 | I166-A180 HydrophobicContact CD1-CB 3.41Å; I166-A180 VanDerWaalsContact CD1-CB 3.41Å; I166-A180 HydrophobicContact CG1-CB 4.23Å; G176-A180 WeakPolarHBondContact O-CB 3.46Å; G176-A180 PolarHBondContact O-N 3.16Å; K178-A180 VanDerWaalsContact C-N 3.32Å; A180-V182 HydrophobicContact CB-CG2 3.81Å; A180-V182 PolarHBondContact O-N 3.21Å |
| 181 | S | 54.3 | Low | 61.2 | Low | 98 Ų | 98 | 74.2 Ų | 74.2 | 69% | 0.685 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.3 | 38.8 | -179.2 | -66.6 | 0 | 0 | 0 | 0 | 113.3 | L177 G183 | L177-S181 PolarHBondContact O-N 3.36Å; S181-G183 PolarHBondContact O-N 3.43Å; S181-G183 VanDerWaalsContact O-N 3.15Å |
| 182 | V | 59.8 | Low | 62.9 | Low | 16 Ų | 16 | 74.3 Ų | 74.3 | 10% | 0.097 | 39% | 0.39 | C | S | . | . | trans | -76.2 | 104.8 | 176.7 | -177.7 | 0 | 0 | 0 | 0 | 107.7 | L163 I166 L177 A180 M187 | L163-V182 HydrophobicContact CD1-CG1 4.13Å; I166-V182 HydrophobicContact CD1-CG2 3.77Å; L177-V182 HydrophobicContact CD1-CB 4.25Å; A180-V182 HydrophobicContact CB-CG2 3.81Å; A180-V182 PolarHBondContact O-N 3.21Å; V182-M187 HydrophobicContact CG1-CG 4.08Å | ||
| 183 | G | 56.7 | Low | 64.5 | Low | 30 Ų | 30 | 72.2 Ų | 72.2 | 31% | 0.309 | 38% | 0.382 | S | S | . | . | trans | -76.7 | 163.5 | 167 | 0 | 0 | 0 | 0 | 0 | 111.3 | S181 E185 N186 | S181-G183 PolarHBondContact O-N 3.43Å; S181-G183 VanDerWaalsContact O-N 3.15Å; G183-E185 PolarHBondContact O-N 2.83Å; G183-E185 VanDerWaalsContact O-N 3.14Å; G183-N186 PolarHBondContact O-N 3.19Å; G183-N186 VanDerWaalsContact O-N 3.08Å | ||
| 184 | F | 56.1 | Low | 66.3 | Low | 83 Ų | 83 | 71.2 Ų | 71.2 | 36% | 0.364 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -58.1 | -25 | 176.1 | 60.6 | -87.4 | 0 | 0 | 0 | 112.6 | L307 N314 | F184-L307 HydrophobicContact CB-CD1 3.99Å; F184-N314 HydrophobicContact CD2-CB 4.25Å; F184-N314 HydrophobicContact CE2-CB 4.34Å |
| 185 | E | 62.7 | Low | 68 | Low | 137 Ų | 137 | 73.6 Ų | 73.6 | 64% | 0.64 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -75.5 | -28.1 | 178.7 | -58 | -178.2 | 161.1 | 0 | 0 | 113.1 | G183 | G183-E185 PolarHBondContact O-N 2.83Å; G183-E185 VanDerWaalsContact O-N 3.14Å |
| 186 | N | 63.3 | Low | 69.6 | Low | 90 Ų | 90 | 72.5 Ų | 72.5 | 48% | 0.481 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -100.1 | 10.9 | -175.5 | -68.5 | -16.9 | 0 | 0 | 0 | 112.9 | T160 G183 | T160-N186 WeakPolarHBondContact CB-O 3.47Å; T160-N186 PolarHBondContact OG1-O 2.99Å; G183-N186 PolarHBondContact O-N 3.19Å; G183-N186 VanDerWaalsContact O-N 3.08Å |
| 187 | M | 68.8 | Low | 71.1 | Confident | 6 Ų | 6 | 74.2 Ų | 74.2 | 3% | 0.03 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -74.8 | -47.3 | 175.5 | -78.6 | -165.2 | 56.9 | 0 | 0 | 111.9 | L124 T160 L163 V182 L307 L308 | L124-M187 HydrophobicContact CD1-CE 3.59Å; T160-M187 PolarHBondContact N-O 3.36Å; T160-M187 PolarHBondContact OG1-O 3.12Å; L163-M187 HydrophobicContact CD1-CB 3.91Å; L163-M187 HydrophobicContact CD1-CE 3.89Å; L163-M187 HydrophobicContact CD1-CG 3.53Å; L163-M187 HydrophobicContact CD1-SD 4.34Å; V182-M187 HydrophobicContact CG1-CG 4.08Å; M187-L307 HydrophobicContact CG-CD2 4.02Å; M187-L307 HydrophobicContact CG-CG 4.48Å; M187-L307 HydrophobicContact SD-CB 4.48Å; M187-L307 HydrophobicContact SD-CD2 3.46Å; M187-L307 WeakPolarHBondContact SD-CD2 3.05Å; M187-L307 HydrophobicContact SD-CG 3.59Å; M187-L307 VanDerWaalsContact SD-CG 3.59Å; M187-L308 HydrophobicContact CE-CD2 3.5Å; M187-L308 HydrophobicContact CE-CG 4.43Å; M187-L308 HydrophobicContact SD-CD2 4.41Å |
| 188 | F | 74.6 | Confident | 72.5 | Confident | 37 Ų | 37 | 75.2 Ų | 75.2 | 16% | 0.162 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 125.6 | -177.3 | -63.2 | -77.9 | 0 | 0 | 0 | 109.2 | V119 L123 L124 Y157 R158 L159 | V119-F188 HydrophobicContact CG1-CE2 3.7Å; V119-F188 HydrophobicContact CG1-CZ 4.27Å; V119-F188 HydrophobicContact CG2-CE2 4.29Å; L123-F188 HydrophobicContact CD2-CE1 4.5Å; L124-F188 HydrophobicContact CD1-CZ 4.27Å; Y157-F188 HydrophobicContact CD1-CB 3.87Å; Y157-F188 HydrophobicContact CG-CB 4.46Å; R158-F188 WeakPolarHBondContact O-CA 3.42Å; L159-F188 HydrophobicContact CD1-CD1 4.17Å; L159-F188 HydrophobicContact CD1-CE1 3.82Å; L159-F188 HydrophobicContact CD1-CZ 4.37Å |
| 189 | E | 81.6 | Confident | 73.9 | Confident | 102 Ų | 102 | 75.4 Ų | 75.4 | 48% | 0.477 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 124.7 | 169.8 | -174.1 | 174.2 | -179 | 0 | 0 | 108.2 | R158 | R158-E189 PolarHBondContact N-O 3.43Å; R158-E189 PolarHBondContact O-N 3.37Å |
| 190 | E | 83.2 | Confident | 75.4 | Confident | 103 Ų | 103 | 73.4 Ų | 73.4 | 48% | 0.481 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 122 | 174 | -173.2 | 170.2 | 177.5 | 0 | 0 | 109.3 | A156 Y157 | A156-E190 WeakPolarHBondContact O-CA 3.27Å; Y157-E190 HydrophobicContact CD1-CB 4.23Å; Y157-E190 HydrophobicContact CE1-CB 3.98Å; Y157-E190 HydrophobicContact CE1-CG 4.25Å |
| 191 | V | 86.4 | Confident | 77 | Confident | 6 Ų | 6 | 74.1 Ų | 74.1 | 4% | 0.036 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -100 | 128.5 | -178.9 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | I29 A156 R158 I193 | I29-V191 HydrophobicContact CD1-CB 3.65Å; I29-V191 HydrophobicContact CD1-CG1 3.6Å; I29-V191 HydrophobicContact CG1-CB 4.35Å; I29-V191 HydrophobicContact CG1-CG1 3.73Å; A156-V191 PolarHBondContact O-N 3.18Å; R158-V191 HydrophobicContact CB-CG2 4.16Å; V191-I193 PolarHBondContact O-N 3.1Å |
| 192 | P | 87.2 | Confident | 78.5 | Confident | 78 Ų | 78 | 72 Ų | 72 | 51% | 0.506 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 135.6 | -178 | 26.4 | -34.6 | 0 | 0 | 0 | 111.6 | K27 I29 | K27-P192 WeakPolarHBondContact O-CD 3.5Å; K27-P192 WeakPolarHBondContact O-CG 3.43Å; I29-P192 PolarHBondContact N-O 3.42Å; I29-P192 VanDerWaalsContact N-O 3.09Å |
| 193 | I | 88.9 | Confident | 79.9 | Confident | 45 Ų | 45 | 75.5 Ų | 75.5 | 23% | 0.231 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 132.3 | 179.9 | -63.2 | 148.4 | 0 | 0 | 0 | 109.7 | I29 I31 L140 L154 A156 V191 | I29-I193 CarbonylContact O-C 3.44Å; I29-I193 WeakPolarHBondContact O-CA 3.39Å; I31-I193 HydrophobicContact CD1-CG1 4.33Å; I31-I193 HydrophobicContact CD1-CG2 3.5Å; I31-I193 VanDerWaalsContact CD1-CG2 3.5Å; I31-I193 HydrophobicContact CG1-CG2 3.92Å; L140-I193 HydrophobicContact CD2-CD1 4.46Å; L154-I193 HydrophobicContact CB-CD1 4.26Å; L154-I193 HydrophobicContact CD2-CD1 3.75Å; L154-I193 HydrophobicContact CD2-CG1 4.42Å; L154-I193 HydrophobicContact CD2-CG2 4.16Å; L154-I193 HydrophobicContact CG-CD1 4.2Å; L154-I193 WeakPolarHBondContact O-CD1 3.26Å; A156-I193 HydrophobicContact CB-CD1 3.77Å; A156-I193 HydrophobicContact CB-CG1 3.74Å; V191-I193 PolarHBondContact O-N 3.1Å |
| 194 | V | 89.4 | Confident | 81.2 | Confident | 56 Ų | 56 | 78.5 Ų | 78.5 | 34% | 0.339 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 123.9 | 170.2 | 173 | 0 | 0 | 0 | 0 | 109.5 | Q28 I29 Q30 I31 | Q28-V194 HydrophobicContact CG-CG2 4.28Å; I29-V194 PolarHBondContact O-N 3.18Å; Q30-V194 CarbonylContact C-O 3.58Å; Q30-V194 VanDerWaalsContact CA-O 3.27Å; Q30-V194 WeakPolarHBondContact CA-O 3.22Å; I31-V194 PolarHBondContact N-O 3.05Å |
| 195 | I | 87.6 | Confident | 82.6 | Confident | 87 Ų | 87 | 79.4 Ų | 79.4 | 45% | 0.446 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 123.6 | 175.2 | -57 | 173.7 | 0 | 0 | 0 | 108.2 | I31 L152 | I31-I195 WeakPolarHBondContact O-CA 3.39Å; L152-I195 HydrophobicContact CD2-CD1 4.08Å |
| 196 | K | 85.8 | Confident | 83.7 | Confident | 114 Ų | 114 | 81.7 Ų | 81.7 | 50% | 0.496 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 126.3 | 177.9 | -177.6 | 178.1 | 169.6 | -165.9 | 0 | 109.2 | I31 E32 E67 | I31-K196 PolarHBondContact O-N 3.27Å; E32-K196 WeakPolarHBondContact CA-O 3.31Å; E67-K196 IonicContact OE1-NZ 2.58Å |
| 197 | N | 85.4 | Confident | 84.8 | Confident | 54 Ų | 54 | 82 Ų | 82 | 29% | 0.289 | 41% | 0.413 | S | S | . | . | trans | -110.5 | 144.7 | 176.8 | -69.2 | -24.9 | 0 | 0 | 0 | 110.3 | G33 I201 N202 | G33-N197 WeakPolarHBondContact CA-OD1 3.06Å; G33-N197 PolarHBondContact N-OD1 2.71Å; N197-I201 HydrophobicContact CB-CB 4.36Å; N197-I201 HydrophobicContact CB-CG2 4.23Å; N197-N202 VanDerWaalsContact CB-OD1 3.3Å; N197-N202 WeakPolarHBondContact CB-OD1 3.35Å | ||
| 198 | S | 87.3 | Confident | 85.6 | Confident | 64 Ų | 64 | 86.3 Ų | 86.3 | 45% | 0.448 | 44% | 0.436 | S | S | . | . | trans | -64.7 | 152.1 | 168.2 | -179.8 | 0 | 0 | 0 | 0 | 111 | L200 I201 N202 | S198-L200 PolarHBondContact O-N 2.89Å; S198-I201 PolarHBondContact O-N 3.12Å; S198-N202 PolarHBondContact O-N 2.91Å | ||
| 199 | H | 87.1 | Confident | 85.9 | Confident | 161 Ų | 161 | 90.8 Ų | 90.8 | 75% | 0.745 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -56.6 | -34.1 | 177.8 | -64.7 | -64.5 | 0 | 0 | 0 | 112.6 | N202 V203 | H199-N202 WeakPolarHBondContact O-CB 3.48Å; H199-N202 PolarHBondContact O-N 3.41Å; H199-V203 WeakPolarHBondContact O-CG2 3.38Å; H199-V203 PolarHBondContact O-N 3.28Å |
| 200 | L | 86.8 | Confident | 85.8 | Confident | 135 Ų | 135 | 93 Ų | 93 | 71% | 0.707 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -67.1 | -40.8 | 177.2 | -174.8 | 65.1 | 0 | 0 | 0 | 112.2 | S198 N202 V203 L204 | S198-L200 PolarHBondContact O-N 2.89Å; L200-N202 VanDerWaalsContact C-N 3.26Å; L200-N202 PolarHBondContact O-N 2.89Å; L200-V203 PolarHBondContact O-N 3.47Å; L200-L204 PolarHBondContact O-N 3.45Å |
| 201 | I | 84.9 | Confident | 85.6 | Confident | 55 Ų | 55 | 95 Ų | 95 | 28% | 0.282 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64 | -37.9 | 175.9 | -63.2 | 173.7 | 0 | 0 | 0 | 109.8 | E32 N197 S198 L204 L205 | E32-I201 HydrophobicContact CG-CD1 4.45Å; E32-I201 WeakPolarHBondContact OE1-CD1 3.35Å; N197-I201 HydrophobicContact CB-CB 4.36Å; N197-I201 HydrophobicContact CB-CG2 4.23Å; S198-I201 PolarHBondContact O-N 3.12Å; I201-L204 PolarHBondContact O-N 2.89Å; I201-L205 WeakPolarHBondContact O-CB 3.37Å; I201-L205 PolarHBondContact O-N 2.97Å |
| 202 | N | 85.6 | Confident | 84.7 | Confident | 54 Ų | 54 | 97.8 Ų | 97.8 | 29% | 0.289 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 174.8 | -63.9 | -27 | 0 | 0 | 0 | 111.2 | N197 S198 H199 L200 L204 L205 W206 | N197-N202 VanDerWaalsContact CB-OD1 3.3Å; N197-N202 WeakPolarHBondContact CB-OD1 3.35Å; S198-N202 PolarHBondContact O-N 2.91Å; H199-N202 WeakPolarHBondContact O-CB 3.48Å; H199-N202 PolarHBondContact O-N 3.41Å; L200-N202 VanDerWaalsContact C-N 3.26Å; L200-N202 PolarHBondContact O-N 2.89Å; N202-L204 VanDerWaalsContact C-N 3.33Å; N202-L204 PolarHBondContact O-N 3.48Å; N202-L205 WeakPolarHBondContact O-CB 3.49Å; N202-L205 PolarHBondContact O-N 3.32Å; N202-L205 VanDerWaalsContact O-N 3.14Å; N202-W206 PolarHBondContact O-N 2.98Å |
| 203 | V | 88.2 | Confident | 83.2 | Confident | 89 Ų | 89 | 100.4 Ų | 100.4 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.1 | -42.6 | 175.4 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | H199 L200 L205 W206 E207 | H199-V203 WeakPolarHBondContact O-CG2 3.38Å; H199-V203 PolarHBondContact O-N 3.28Å; L200-V203 PolarHBondContact O-N 3.47Å; V203-L205 VanDerWaalsContact C-N 3.3Å; V203-L205 PolarHBondContact O-N 2.92Å; V203-W206 WeakPolarHBondContact O-CB 3.4Å; V203-W206 PolarHBondContact O-N 2.69Å; V203-E207 PolarHBondContact O-N 3.02Å |
| 204 | L | 85.6 | Confident | 81.5 | Confident | 93 Ų | 93 | 103.5 Ų | 103.5 | 49% | 0.487 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62 | -39.1 | 175.1 | 179.6 | 64.7 | 0 | 0 | 0 | 111.8 | L200 I201 N202 W206 E207 L208 | L200-L204 PolarHBondContact O-N 3.45Å; I201-L204 PolarHBondContact O-N 2.89Å; N202-L204 VanDerWaalsContact C-N 3.33Å; N202-L204 PolarHBondContact O-N 3.48Å; L204-W206 VanDerWaalsContact C-N 3.35Å; L204-E207 PolarHBondContact O-N 3.09Å; L204-L208 HydrophobicContact CG-CD1 4.14Å; L204-L208 WeakPolarHBondContact O-CB 3.49Å; L204-L208 WeakPolarHBondContact O-CG 3.33Å; L204-L208 PolarHBondContact O-N 3.03Å |
| 205 | L | 84.9 | Confident | 79.9 | Confident | 102 Ų | 102 | 105.5 Ų | 105.5 | 53% | 0.534 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.1 | -39.3 | 177.3 | -168.4 | 67 | 0 | 0 | 0 | 111.5 | I201 N202 V203 L208 E209 | I201-L205 WeakPolarHBondContact O-CB 3.37Å; I201-L205 PolarHBondContact O-N 2.97Å; N202-L205 WeakPolarHBondContact O-CB 3.49Å; N202-L205 PolarHBondContact O-N 3.32Å; N202-L205 VanDerWaalsContact O-N 3.14Å; V203-L205 VanDerWaalsContact C-N 3.3Å; V203-L205 PolarHBondContact O-N 2.92Å; L205-L208 PolarHBondContact O-N 2.98Å; L205-E209 WeakPolarHBondContact O-CB 3.29Å; L205-E209 PolarHBondContact O-N 3.19Å |
| 206 | W | 84.8 | Confident | 78.4 | Confident | 185 Ų | 185 | 106.1 Ų | 106.1 | 70% | 0.701 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61.3 | -43.9 | 172.6 | -76.9 | 106.8 | 0 | 0 | 0 | 112.1 | N202 V203 L204 L208 E209 D210 | N202-W206 PolarHBondContact O-N 2.98Å; V203-W206 WeakPolarHBondContact O-CB 3.4Å; V203-W206 PolarHBondContact O-N 2.69Å; L204-W206 VanDerWaalsContact C-N 3.35Å; W206-L208 VanDerWaalsContact C-N 3.35Å; W206-E209 PolarHBondContact O-N 2.9Å; W206-D210 PolarHBondContact O-N 3.46Å |
| 207 | E | 88 | Confident | 77.3 | Confident | 96 Ų | 96 | 109.3 Ų | 109.3 | 45% | 0.449 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.2 | -36.6 | 177.1 | -173.6 | 178.8 | -179.8 | 0 | 0 | 112.1 | V203 L204 D210 K211 | V203-E207 PolarHBondContact O-N 3.02Å; L204-E207 PolarHBondContact O-N 3.09Å; E207-D210 PolarHBondContact O-N 2.9Å; E207-K211 HydrophobicContact CG-CD 4.19Å; E207-K211 WeakPolarHBondContact O-CB 3.27Å; E207-K211 WeakPolarHBondContact O-CG 3.48Å; E207-K211 PolarHBondContact O-N 3.45Å; E207-K211 VanDerWaalsContact O-N 3.09Å; E207-K211 VanDerWaalsContact OE1-CE 3.29Å; E207-K211 WeakPolarHBondContact OE1-CE 3.43Å; E207-K211 IonicContact OE1-NZ 3.49Å; E207-K211 PolarHBondContact OE1-NZ 2.98Å |
| 208 | L | 84.4 | Confident | 76.3 | Confident | 96 Ų | 96 | 112.4 Ų | 112.4 | 50% | 0.503 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.4 | -37 | 174.9 | -79.9 | 169 | 0 | 0 | 0 | 112.1 | L204 L205 W206 D210 K211 S212 | L204-L208 HydrophobicContact CG-CD1 4.14Å; L204-L208 WeakPolarHBondContact O-CB 3.49Å; L204-L208 WeakPolarHBondContact O-CG 3.33Å; L204-L208 PolarHBondContact O-N 3.03Å; L205-L208 PolarHBondContact O-N 2.98Å; W206-L208 VanDerWaalsContact C-N 3.35Å; L208-D210 VanDerWaalsContact C-N 3.35Å; L208-K211 PolarHBondContact O-N 2.82Å; L208-S212 WeakPolarHBondContact O-CA 3.45Å; L208-S212 WeakPolarHBondContact O-CB 3.18Å; L208-S212 PolarHBondContact O-N 2.77Å |
| 209 | E | 80.8 | Confident | 75.2 | Confident | 131 Ų | 131 | 115.3 Ų | 115.3 | 61% | 0.612 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.2 | -42 | 176.3 | -174.6 | 170.2 | -161.1 | 0 | 0 | 111.4 | L205 W206 | L205-E209 WeakPolarHBondContact O-CB 3.29Å; L205-E209 PolarHBondContact O-N 3.19Å; W206-E209 PolarHBondContact O-N 2.9Å |
| 210 | D | 80.3 | Confident | 74.4 | Confident | 148 Ų | 148 | 111.6 Ų | 111.6 | 79% | 0.791 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.8 | -35.1 | 177.5 | -167.6 | 48.7 | 0 | 0 | 0 | 112.6 | W206 E207 L208 | W206-D210 PolarHBondContact O-N 3.46Å; E207-D210 PolarHBondContact O-N 2.9Å; L208-D210 VanDerWaalsContact C-N 3.35Å |
| 211 | K | 78.4 | Confident | 73.6 | Confident | 145 Ų | 145 | 110.1 Ų | 110.1 | 63% | 0.63 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -85.3 | -18.1 | 178.8 | -69 | -178.5 | -174.4 | 176.5 | 0 | 114.1 | E207 L208 | E207-K211 HydrophobicContact CG-CD 4.19Å; E207-K211 WeakPolarHBondContact O-CB 3.27Å; E207-K211 WeakPolarHBondContact O-CG 3.48Å; E207-K211 PolarHBondContact O-N 3.45Å; E207-K211 VanDerWaalsContact O-N 3.09Å; E207-K211 VanDerWaalsContact OE1-CE 3.29Å; E207-K211 WeakPolarHBondContact OE1-CE 3.43Å; E207-K211 IonicContact OE1-NZ 3.49Å; E207-K211 PolarHBondContact OE1-NZ 2.98Å; L208-K211 PolarHBondContact O-N 2.82Å |
| 212 | S | 67.8 | Low | 73 | Confident | 66 Ų | 66 | 111 Ų | 111 | 46% | 0.462 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -83.6 | 120.7 | -179.1 | 175.8 | 0 | 0 | 0 | 0 | 110 | L208 V214 | L208-S212 WeakPolarHBondContact O-CA 3.45Å; L208-S212 WeakPolarHBondContact O-CB 3.18Å; L208-S212 PolarHBondContact O-N 2.77Å; S212-V214 PolarHBondContact O-N 2.88Å |
| 213 | T | 56.7 | Low | 72.3 | Confident | 133 Ų | 133 | 112.4 Ų | 112.4 | 82% | 0.816 | 58% | 0.578 | S | S | * | * | trans | -73.8 | 95.5 | 165.7 | 54.8 | 0 | 0 | 0 | 0 | 108.5 | S215 | T213-S215 PolarHBondContact O-N 3.01Š| ||
| 214 | V | 51.8 | Low | 71.2 | Confident | 110 Ų | 110 | 112.6 Ų | 112.6 | 67% | 0.667 | 58% | 0.583 | S | S | * | * | trans | 34.3 | 85.3 | 162.2 | -162.9 | 0 | 0 | 0 | 0 | 114 | S212 D216 | S212-V214 PolarHBondContact O-N 2.88Å; V214-D216 HydrophobicContact CG1-CB 4.48Å; V214-D216 WeakPolarHBondContact CG1-OD1 3.23Å; V214-D216 PolarHBondContact O-N 3.26Å | ||
| 215 | S | 55.6 | Low | 70.2 | Confident | 98 Ų | 98 | 108.9 Ų | 108.9 | 69% | 0.685 | 57% | 0.565 | S | S | * | * | trans | -69 | 93.4 | 156.6 | -177.3 | 0 | 0 | 0 | 0 | 107.1 | T213 K217 | T213-S215 PolarHBondContact O-N 3.01Å; S215-K217 PolarHBondContact O-N 3.35Å | ||
| 216 | D | 55.9 | Low | 69.3 | Low | 99 Ų | 99 | 108.1 Ų | 108.1 | 53% | 0.529 | 57% | 0.569 | S | S | . | * | trans | -62.3 | 103.3 | -179.5 | -106.8 | -10.6 | 0 | 0 | 0 | 109.3 | V214 H218 | V214-D216 HydrophobicContact CG1-CB 4.48Å; V214-D216 WeakPolarHBondContact CG1-OD1 3.23Å; V214-D216 PolarHBondContact O-N 3.26Å; D216-H218 WeakPolarHBondContact CB-CD2 3.44Å; D216-H218 WeakPolarHBondContact CB-NE2 3.41Å; D216-H218 VanDerWaalsContact CG-CD2 3.47Å; D216-H218 PolarHBondContact O-N 3.18Å; D216-H218 IonicContact OD1-CE1 3.64Å; D216-H218 IonicContact OD1-NE2 2.69Å; D216-H218 PolarHBondContact OD1-NE2 3.41Å; D216-H218 VanDerWaalsContact OD1-NE2 3.16Å; D216-H218 IonicContact OD2-CD2 3.8Å; D216-H218 PolarHBondContact OD2-CD2 3.01Å; D216-H218 IonicContact OD2-NE2 3.7Å; D216-H218 PolarHBondContact OD2-NE2 3.46Å | ||
| 217 | K | 64.1 | Low | 68.9 | Low | 181 Ų | 181 | 105 Ų | 105 | 79% | 0.787 | 57% | 0.565 | S | S | * | * | trans | -73 | 41.6 | -177.7 | -62.3 | 177.1 | -177.5 | 167.9 | 0 | 112.6 | S215 E219 | S215-K217 PolarHBondContact O-N 3.35Å; K217-E219 VanDerWaalsContact C-N 3.33Å | ||
| 218 | H | 62.8 | Low | 68.3 | Low | 120 Ų | 120 | 101 Ų | 101 | 56% | 0.556 | 55% | 0.547 | S | S | * | . | trans | -79.7 | -16.8 | -177 | -59.9 | -44.5 | 0 | 0 | 0 | 113 | D216 L220 L221 | D216-H218 WeakPolarHBondContact CB-CD2 3.44Å; D216-H218 WeakPolarHBondContact CB-NE2 3.41Å; D216-H218 VanDerWaalsContact CG-CD2 3.47Å; D216-H218 PolarHBondContact O-N 3.18Å; D216-H218 IonicContact OD1-CE1 3.64Å; D216-H218 IonicContact OD1-NE2 2.69Å; D216-H218 PolarHBondContact OD1-NE2 3.41Å; D216-H218 VanDerWaalsContact OD1-NE2 3.16Å; D216-H218 IonicContact OD2-CD2 3.8Å; D216-H218 PolarHBondContact OD2-CD2 3.01Å; D216-H218 IonicContact OD2-NE2 3.7Å; D216-H218 PolarHBondContact OD2-NE2 3.46Å; H218-L220 PolarHBondContact O-N 3.06Å; H218-L221 PolarHBondContact O-N 3.46Å | ||
| 219 | E | 65.4 | Low | 68 | Low | 125 Ų | 125 | 99.1 Ų | 99.1 | 58% | 0.584 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -60.2 | -33.7 | -177.2 | -68 | -176 | 161.6 | 0 | 0 | 112.6 | K217 L221 N222 | K217-E219 VanDerWaalsContact C-N 3.33Å; E219-L221 PolarHBondContact O-N 3.21Å; E219-N222 VanDerWaalsContact O-CB 3.29Å; E219-N222 WeakPolarHBondContact O-CB 3.32Å; E219-N222 PolarHBondContact O-N 2.96Å; E219-N222 VanDerWaalsContact O-N 3.16Å |
| 220 | L | 69.4 | Low | 68.1 | Low | 83 Ų | 83 | 98.8 Ų | 98.8 | 44% | 0.435 | 54% | 0.535 | S | S | . | . | G | 310 helix | trans | -61.6 | -33.6 | 177.1 | -173.9 | 69.7 | 0 | 0 | 0 | 112.2 | H218 N222 K330 | H218-L220 PolarHBondContact O-N 3.06Å; L220-N222 VanDerWaalsContact C-N 3.32Å; L220-K330 WeakPolarHBondContact O-CD 3.44Å; L220-K330 WeakPolarHBondContact O-CE 3.49Å; L220-K330 PolarHBondContact O-NZ 2.91Å |
| 221 | L | 70.4 | Confident | 68.3 | Low | 103 Ų | 103 | 96.1 Ų | 96.1 | 54% | 0.539 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -91.4 | 6.5 | -178.1 | -63.8 | 177.8 | 0 | 0 | 0 | 113.1 | H218 E219 L223 M333 | H218-L221 PolarHBondContact O-N 3.46Å; E219-L221 PolarHBondContact O-N 3.21Å; L221-L223 PolarHBondContact O-N 2.86Å; L221-M333 HydrophobicContact CD2-CE 3.97Å |
| 222 | N | 72.3 | Confident | 68.4 | Low | 74 Ų | 74 | 89.7 Ų | 89.7 | 40% | 0.396 | 49% | 0.49 | S | S | . | . | trans | -66.6 | 126.6 | 178.7 | -165.7 | -0.4 | 0 | 0 | 0 | 111.1 | E219 L220 S224 K330 | E219-N222 VanDerWaalsContact O-CB 3.29Å; E219-N222 WeakPolarHBondContact O-CB 3.32Å; E219-N222 PolarHBondContact O-N 2.96Å; E219-N222 VanDerWaalsContact O-N 3.16Å; L220-N222 VanDerWaalsContact C-N 3.32Å; N222-S224 PolarHBondContact ND2-OG 2.7Å; N222-S224 VanDerWaalsContact ND2-OG 3.07Å; N222-S224 WeakPolarHBondContact OD1-CB 3.33Å; N222-S224 PolarHBondContact OD1-N 3.17Å; N222-S224 PolarHBondContact OD1-OG 2.97Å; N222-K330 WeakPolarHBondContact O-CD 3.46Å; N222-K330 PolarHBondContact O-NZ 3.44Å; N222-K330 VanDerWaalsContact O-NZ 3.1Å | ||
| 223 | L | 70.4 | Confident | 69.2 | Low | 83 Ų | 83 | 89.7 Ų | 89.7 | 44% | 0.435 | 48% | 0.484 | S | S | . | . | trans | -90.7 | -13.7 | 175.8 | -71.9 | 164 | 0 | 0 | 0 | 112.5 | L221 S225 K330 L331 A334 | L221-L223 PolarHBondContact O-N 2.86Å; L223-S225 VanDerWaalsContact C-N 3.26Å; L223-S225 PolarHBondContact O-N 3.44Å; L223-K330 HydrophobicContact CD2-CB 3.57Å; L223-K330 HydrophobicContact CG-CB 4.41Å; L223-L331 HydrophobicContact CD2-CD2 3.87Å; L223-L331 HydrophobicContact CD2-CG 3.95Å; L223-A334 HydrophobicContact CD1-CB 4.09Å | ||
| 224 | S | 65.1 | Low | 70.6 | Confident | 93 Ų | 93 | 88.5 Ų | 88.5 | 65% | 0.65 | 47% | 0.469 | S | S | * | . | trans | -83.1 | 56.6 | -174.8 | 61.3 | 0 | 0 | 0 | 0 | 113.3 | N222 | N222-S224 PolarHBondContact ND2-OG 2.7Å; N222-S224 VanDerWaalsContact ND2-OG 3.07Å; N222-S224 WeakPolarHBondContact OD1-CB 3.33Å; N222-S224 PolarHBondContact OD1-N 3.17Å; N222-S224 PolarHBondContact OD1-OG 2.97Å | ||
| 225 | S | 65.7 | Low | 72.2 | Confident | 15 Ų | 15 | 85.5 Ų | 85.5 | 11% | 0.105 | 45% | 0.449 | C | S | . | . | trans | -109.9 | 19.8 | -174.6 | -49.2 | 0 | 0 | 0 | 0 | 114.7 | L223 N227 H228 F323 | L223-S225 VanDerWaalsContact C-N 3.26Å; L223-S225 PolarHBondContact O-N 3.44Å; S225-N227 VanDerWaalsContact C-N 3.32Å; S225-N227 PolarHBondContact O-N 3.49Å; S225-H228 PolarHBondContact O-N 3.34Å; S225-F323 VanDerWaalsContact CB-CZ 3.43Å | ||
| 226 | S | 65.4 | Low | 73.6 | Confident | 87 Ų | 87 | 82.2 Ų | 82.2 | 61% | 0.608 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -56.3 | -41.5 | -177.7 | -169 | 0 | 0 | 0 | 0 | 113.3 | H228 L229 E230 | S226-H228 VanDerWaalsContact C-N 3.26Å; S226-H228 PolarHBondContact O-N 3.43Å; S226-L229 PolarHBondContact O-N 2.91Å; S226-E230 PolarHBondContact O-N 3.32Å |
| 227 | N | 75.6 | Confident | 75.1 | Confident | 119 Ų | 119 | 83 Ų | 83 | 64% | 0.636 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -66 | -27.3 | -177.3 | -63.3 | -12 | 0 | 0 | 0 | 113.1 | S225 K231 | S225-N227 VanDerWaalsContact C-N 3.32Å; S225-N227 PolarHBondContact O-N 3.49Å; N227-K231 WeakPolarHBondContact O-CG 3.34Å; N227-K231 PolarHBondContact O-N 2.79Å |
| 228 | H | 75.5 | Confident | 76.3 | Confident | 13 Ų | 13 | 78 Ų | 78 | 6% | 0.06 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -73 | -42.5 | 176.6 | -179.6 | 81.3 | 0 | 0 | 0 | 111.2 | Y115 Q149 S225 S226 S232 F323 | Y115-H228 AromaticContact CD1-CE1 3.54Å; Y115-H228 AromaticContact CD1-ND1 3.62Å; Y115-H228 HydrophobicContact CE1-CB 4.37Å; Y115-H228 AromaticContact CE1-CE1 3.51Å; Y115-H228 AromaticContact CE1-CG 3.79Å; Y115-H228 AromaticContact CE1-ND1 3.05Å; Y115-H228 WeakPolarHBondContact CE1-ND1 3.12Å; Y115-H228 WeakPolarHBondContact CE1-O 3.47Å; Y115-H228 AromaticContact CZ-ND1 3.85Å; Q149-H228 VanDerWaalsContact NE2-CB 3.31Å; Q149-H228 PolarHBondContact NE2-ND1 3.25Å; S225-H228 PolarHBondContact O-N 3.34Å; S226-H228 VanDerWaalsContact C-N 3.26Å; S226-H228 PolarHBondContact O-N 3.43Å; H228-S232 WeakPolarHBondContact O-CB 3.49Å; H228-S232 PolarHBondContact O-N 3.2Å; H228-S232 PolarHBondContact O-OG 2.76Å; H228-F323 HydrophobicContact CB-CE2 4.46Å; H228-F323 HydrophobicContact CB-CZ 4.3Å; H228-F323 AromaticContact CD2-CD2 3.75Å; H228-F323 AromaticContact CD2-CE2 3.54Å; H228-F323 AromaticContact CD2-CZ 3.86Å |
| 229 | L | 78.8 | Confident | 77.4 | Confident | 55 Ų | 55 | 75.9 Ų | 75.9 | 29% | 0.288 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 177.6 | -174.1 | 61.8 | 0 | 0 | 0 | 111.3 | S226 S232 L233 V320 F323 | S226-L229 PolarHBondContact O-N 2.91Å; L229-S232 PolarHBondContact O-N 2.8Å; L229-L233 HydrophobicContact CD1-CD1 4.27Å; L229-L233 HydrophobicContact CD1-CG 4.29Å; L229-L233 HydrophobicContact CG-CD1 4Å; L229-L233 HydrophobicContact CG-CG 4.41Å; L229-L233 WeakPolarHBondContact O-CB 3.31Å; L229-L233 WeakPolarHBondContact O-CG 3.15Å; L229-L233 PolarHBondContact O-N 3.09Å; L229-V320 HydrophobicContact CD1-CG1 4.1Å; L229-F323 HydrophobicContact CB-CE1 3.88Å; L229-F323 HydrophobicContact CD1-CD1 4.2Å; L229-F323 HydrophobicContact CD1-CE1 4.27Å; L229-F323 HydrophobicContact CG-CE1 4.5Å |
| 230 | E | 83.3 | Confident | 78.4 | Confident | 124 Ų | 124 | 72.5 Ų | 72.5 | 58% | 0.579 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -57.9 | -51.2 | 178.7 | -174.7 | 178.2 | 176.8 | 0 | 0 | 111.4 | S226 S232 L233 Q234 | S226-E230 PolarHBondContact O-N 3.32Å; E230-S232 PolarHBondContact O-N 3.04Å; E230-L233 PolarHBondContact O-N 2.95Å; E230-Q234 WeakPolarHBondContact O-CB 3.29Å; E230-Q234 PolarHBondContact O-N 3.38Å |
| 231 | K | 83.6 | Confident | 79.4 | Confident | 93 Ų | 93 | 72.8 Ų | 72.8 | 40% | 0.404 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64 | -39.6 | 176.9 | -75.2 | 179.5 | 169.5 | -171 | 0 | 112.9 | Y115 N227 L233 Q234 L235 | Y115-K231 HydrophobicContact CD1-CB 4.44Å; Y115-K231 HydrophobicContact CE1-CB 3.76Å; Y115-K231 HydrophobicContact CE2-CB 4.29Å; Y115-K231 HydrophobicContact CE2-CD 4.11Å; Y115-K231 WeakPolarHBondContact OH-CD 3.43Å; N227-K231 WeakPolarHBondContact O-CG 3.34Å; N227-K231 PolarHBondContact O-N 2.79Å; K231-L233 VanDerWaalsContact C-N 3.32Å; K231-L233 PolarHBondContact O-N 3.39Å; K231-Q234 PolarHBondContact O-N 3.17Å; K231-L235 WeakPolarHBondContact O-CG 3.26Å; K231-L235 PolarHBondContact O-N 3.46Å |
| 232 | S | 81.1 | Confident | 80.2 | Confident | 9 Ų | 9 | 70.2 Ų | 70.2 | 6% | 0.063 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 176 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | Y115 H228 L229 E230 L236 | Y115-S232 WeakPolarHBondContact CD1-OG 3.45Å; H228-S232 WeakPolarHBondContact O-CB 3.49Å; H228-S232 PolarHBondContact O-N 3.2Å; H228-S232 PolarHBondContact O-OG 2.76Å; L229-S232 PolarHBondContact O-N 2.8Å; E230-S232 PolarHBondContact O-N 3.04Å; S232-L236 WeakPolarHBondContact O-CB 3.41Å; S232-L236 PolarHBondContact O-N 2.79Å |
| 233 | L | 84.3 | Confident | 80.8 | Confident | 66 Ų | 66 | 68.6 Ų | 68.6 | 35% | 0.346 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -70.3 | -38.3 | 176.5 | -74.5 | 174.3 | 0 | 0 | 0 | 111.8 | L229 E230 K231 L236 M237 | L229-L233 HydrophobicContact CD1-CD1 4.27Å; L229-L233 HydrophobicContact CD1-CG 4.29Å; L229-L233 HydrophobicContact CG-CD1 4Å; L229-L233 HydrophobicContact CG-CG 4.41Å; L229-L233 WeakPolarHBondContact O-CB 3.31Å; L229-L233 WeakPolarHBondContact O-CG 3.15Å; L229-L233 PolarHBondContact O-N 3.09Å; E230-L233 PolarHBondContact O-N 2.95Å; K231-L233 VanDerWaalsContact C-N 3.32Å; K231-L233 PolarHBondContact O-N 3.39Å; L233-L236 HydrophobicContact CD2-CD2 4.37Å; L233-L236 WeakPolarHBondContact O-CB 3.17Å; L233-L236 PolarHBondContact O-N 2.9Å; L233-M237 HydrophobicContact CB-CE 4.38Å; L233-M237 WeakPolarHBondContact O-CG 3.41Å; L233-M237 PolarHBondContact O-N 2.91Å |
| 234 | Q | 87 | Confident | 81.7 | Confident | 108 Ų | 108 | 68.3 Ų | 68.3 | 51% | 0.505 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.8 | -48.5 | 175 | -173.1 | 177.5 | -2.4 | 0 | 0 | 111.2 | E230 K231 L236 M237 D238 | E230-Q234 WeakPolarHBondContact O-CB 3.29Å; E230-Q234 PolarHBondContact O-N 3.38Å; K231-Q234 PolarHBondContact O-N 3.17Å; Q234-L236 VanDerWaalsContact C-N 3.28Å; Q234-L236 PolarHBondContact O-N 3.01Å; Q234-M237 WeakPolarHBondContact O-CB 3.32Å; Q234-M237 PolarHBondContact O-N 3.16Å; Q234-M237 VanDerWaalsContact O-N 3.09Å; Q234-D238 PolarHBondContact O-N 2.94Å |
| 235 | L | 84.6 | Confident | 82.7 | Confident | 47 Ų | 47 | 69.1 Ų | 69.1 | 25% | 0.246 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.7 | -35 | 176.3 | -69 | 170.1 | 0 | 0 | 0 | 112.6 | Y115 K231 R239 Y316 | Y115-L235 VanDerWaalsContact CB-CD1 3.45Å; Y115-L235 HydrophobicContact CD2-CD1 4.17Å; Y115-L235 HydrophobicContact CG-CD1 3.88Å; K231-L235 WeakPolarHBondContact O-CG 3.26Å; K231-L235 PolarHBondContact O-N 3.46Å; L235-R239 PolarHBondContact O-N 2.78Å; L235-Y316 HydrophobicContact CB-CE1 4.14Å |
| 236 | L | 85.6 | Confident | 83.6 | Confident | 30 Ų | 30 | 69.8 Ų | 69.8 | 16% | 0.157 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 172.6 | 176.5 | 63.7 | 0 | 0 | 0 | 111.5 | S232 L233 Q234 R239 V240 I313 Y316 | S232-L236 WeakPolarHBondContact O-CB 3.41Å; S232-L236 PolarHBondContact O-N 2.79Å; L233-L236 HydrophobicContact CD2-CD2 4.37Å; L233-L236 WeakPolarHBondContact O-CB 3.17Å; L233-L236 PolarHBondContact O-N 2.9Å; Q234-L236 VanDerWaalsContact C-N 3.28Å; Q234-L236 PolarHBondContact O-N 3.01Å; L236-R239 PolarHBondContact O-N 2.9Å; L236-V240 HydrophobicContact CD1-CG2 4.23Å; L236-V240 HydrophobicContact CG-CG2 4.46Å; L236-V240 VanDerWaalsContact O-CG2 3.29Å; L236-V240 WeakPolarHBondContact O-CG2 3.4Å; L236-V240 PolarHBondContact O-N 3.39Å; L236-I313 HydrophobicContact CD1-CB 4.36Å; L236-I313 HydrophobicContact CD1-CG1 4.2Å; L236-I313 HydrophobicContact CD1-CG2 4.02Å; L236-Y316 HydrophobicContact CD1-CD2 4.31Å; L236-Y316 HydrophobicContact CD1-CG 4.44Å |
| 237 | M | 87.8 | Confident | 84.5 | Confident | 116 Ų | 116 | 69 Ų | 69 | 57% | 0.571 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.6 | -46 | 176 | -71.8 | -179.7 | -147.4 | 0 | 0 | 111 | L233 Q234 R239 V240 D241 | L233-M237 HydrophobicContact CB-CE 4.38Å; L233-M237 WeakPolarHBondContact O-CG 3.41Å; L233-M237 PolarHBondContact O-N 2.91Å; Q234-M237 WeakPolarHBondContact O-CB 3.32Å; Q234-M237 PolarHBondContact O-N 3.16Å; Q234-M237 VanDerWaalsContact O-N 3.09Å; M237-R239 VanDerWaalsContact C-N 3.29Å; M237-R239 PolarHBondContact O-N 2.82Å; M237-V240 PolarHBondContact O-N 3.18Å; M237-V240 VanDerWaalsContact O-N 3.1Å; M237-D241 PolarHBondContact O-N 3.07Å |
| 238 | D | 88.8 | Confident | 85.1 | Confident | 76 Ų | 76 | 67.6 Ų | 67.6 | 41% | 0.406 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57.4 | -42.5 | 177.8 | -66.1 | -18.8 | 0 | 0 | 0 | 111.4 | Q234 D241 D242 | Q234-D238 PolarHBondContact O-N 2.94Å; D238-D241 PolarHBondContact O-N 2.98Å; D238-D242 PolarHBondContact O-N 2.79Å |
| 239 | R | 84.6 | Confident | 85.6 | Confident | 74 Ų | 74 | 72.3 Ų | 72.3 | 28% | 0.279 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -71.5 | -32.1 | 176.3 | -67.9 | -49.3 | -175.9 | -151.3 | -6.9 | 114.5 | L235 L236 M237 D241 D242 L243 I309 I313 Y316 | L235-R239 PolarHBondContact O-N 2.78Å; L236-R239 PolarHBondContact O-N 2.9Å; M237-R239 VanDerWaalsContact C-N 3.29Å; M237-R239 PolarHBondContact O-N 2.82Å; R239-D241 VanDerWaalsContact C-N 3.31Å; R239-D242 WeakPolarHBondContact CD-OD2 3.02Å; R239-D242 IonicContact CZ-OD2 3.59Å; R239-D242 IonicContact NH1-OD2 3.16Å; R239-D242 PolarHBondContact NH1-OD2 2.96Å; R239-L243 WeakPolarHBondContact O-CB 3.3Å; R239-L243 PolarHBondContact O-N 2.87Å; R239-I309 HydrophobicContact CB-CG2 4.49Å; R239-I309 WeakPolarHBondContact O-CG2 3.32Å; R239-I313 HydrophobicContact CB-CG1 4.15Å; R239-Y316 HydrophobicContact CG-CE2 3.95Å |
| 240 | V | 87.5 | Confident | 85.9 | Confident | 55 Ų | 55 | 74.2 Ų | 74.2 | 33% | 0.333 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.4 | -36 | 172.6 | 170 | 0 | 0 | 0 | 0 | 110.4 | L236 M237 L243 N244 I313 | L236-V240 HydrophobicContact CD1-CG2 4.23Å; L236-V240 HydrophobicContact CG-CG2 4.46Å; L236-V240 VanDerWaalsContact O-CG2 3.29Å; L236-V240 WeakPolarHBondContact O-CG2 3.4Å; L236-V240 PolarHBondContact O-N 3.39Å; M237-V240 PolarHBondContact O-N 3.18Å; M237-V240 VanDerWaalsContact O-N 3.1Å; V240-L243 WeakPolarHBondContact O-CB 3.29Å; V240-L243 PolarHBondContact O-N 3.43Å; V240-N244 WeakPolarHBondContact O-CB 3.29Å; V240-N244 PolarHBondContact O-N 3.26Å; V240-N244 PolarHBondContact O-ND2 3.17Å; V240-I313 HydrophobicContact CG2-CD1 4.15Å; V240-I313 HydrophobicContact CG2-CG1 4.46Å |
| 241 | D | 90.1 | Very high | 86 | Confident | 89 Ų | 89 | 71.9 Ų | 71.9 | 48% | 0.476 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.2 | -41.6 | 174.3 | -77.4 | -14.1 | 0 | 0 | 0 | 111.9 | M237 D238 R239 L243 N244 Q245 | M237-D241 PolarHBondContact O-N 3.07Å; D238-D241 PolarHBondContact O-N 2.98Å; R239-D241 VanDerWaalsContact C-N 3.31Å; D241-L243 VanDerWaalsContact C-N 3.31Å; D241-L243 PolarHBondContact O-N 3.38Å; D241-N244 WeakPolarHBondContact O-CB 2.9Å; D241-N244 PolarHBondContact O-N 2.88Å; D241-N244 VanDerWaalsContact O-N 3.17Å; D241-Q245 WeakPolarHBondContact O-CG 3.06Å; D241-Q245 PolarHBondContact O-N 3.4Å |
| 242 | D | 86.8 | Confident | 86.3 | Confident | 49 Ų | 49 | 70.7 Ų | 70.7 | 26% | 0.262 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -56.8 | -45.8 | 170.2 | -72 | -25.1 | 0 | 0 | 0 | 111.2 | D238 R239 N244 Q245 D246 I309 | D238-D242 PolarHBondContact O-N 2.79Å; R239-D242 WeakPolarHBondContact CD-OD2 3.02Å; R239-D242 IonicContact CZ-OD2 3.59Å; R239-D242 IonicContact NH1-OD2 3.16Å; R239-D242 PolarHBondContact NH1-OD2 2.96Å; D242-N244 VanDerWaalsContact C-N 3.33Å; D242-N244 PolarHBondContact O-N 3.43Å; D242-Q245 WeakPolarHBondContact O-CB 3.37Å; D242-Q245 PolarHBondContact O-N 2.9Å; D242-D246 PolarHBondContact O-N 3.07Å; D242-I309 HydrophobicContact CB-CD1 4.22Å |
| 243 | L | 85.6 | Confident | 86.4 | Confident | 39 Ų | 39 | 72.5 Ų | 72.5 | 20% | 0.204 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 176.1 | -176.9 | 65.3 | 0 | 0 | 0 | 111.5 | R239 V240 D241 Q245 D246 I247 T306 I309 I313 | R239-L243 WeakPolarHBondContact O-CB 3.3Å; R239-L243 PolarHBondContact O-N 2.87Å; V240-L243 WeakPolarHBondContact O-CB 3.29Å; V240-L243 PolarHBondContact O-N 3.43Å; D241-L243 VanDerWaalsContact C-N 3.31Å; D241-L243 PolarHBondContact O-N 3.38Å; L243-Q245 VanDerWaalsContact C-N 3.35Å; L243-Q245 PolarHBondContact O-N 2.83Å; L243-D246 PolarHBondContact O-N 3.35Å; L243-I247 HydrophobicContact CD1-CD1 4.46Å; L243-I247 HydrophobicContact CD2-CD1 4.44Å; L243-I247 HydrophobicContact CG-CD1 3.9Å; L243-I247 HydrophobicContact CG-CG1 4.47Å; L243-I247 VanDerWaalsContact O-CG1 3.24Å; L243-I247 WeakPolarHBondContact O-CG1 3.22Å; L243-I247 PolarHBondContact O-N 2.91Å; L243-T306 HydrophobicContact CD1-CG2 3.72Å; L243-I309 HydrophobicContact CB-CG2 3.9Å; L243-I309 HydrophobicContact CD1-CG2 4.38Å; L243-I313 HydrophobicContact CB-CD1 4.26Å; L243-I313 HydrophobicContact CD2-CD1 3.75Å |
| 244 | N | 87.9 | Confident | 86.4 | Confident | 78 Ų | 78 | 72 Ų | 72 | 42% | 0.417 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 176.6 | -80.3 | -37.1 | 0 | 0 | 0 | 111.5 | V240 D241 D242 D246 I247 V248 | V240-N244 WeakPolarHBondContact O-CB 3.29Å; V240-N244 PolarHBondContact O-N 3.26Å; V240-N244 PolarHBondContact O-ND2 3.17Å; D241-N244 WeakPolarHBondContact O-CB 2.9Å; D241-N244 PolarHBondContact O-N 2.88Å; D241-N244 VanDerWaalsContact O-N 3.17Å; D242-N244 VanDerWaalsContact C-N 3.33Å; D242-N244 PolarHBondContact O-N 3.43Å; N244-D246 VanDerWaalsContact C-N 3.31Å; N244-D246 PolarHBondContact O-N 2.9Å; N244-I247 PolarHBondContact O-N 2.96Å; N244-V248 VanDerWaalsContact O-CG2 3.31Å; N244-V248 WeakPolarHBondContact O-CG2 3.5Å; N244-V248 PolarHBondContact O-N 3.45Å |
| 245 | Q | 87.6 | Confident | 86.4 | Confident | 110 Ų | 110 | 75.2 Ų | 75.2 | 51% | 0.514 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 175.2 | -69.5 | 179.7 | 34.1 | 0 | 0 | 111.4 | D241 D242 L243 V248 K249 | D241-Q245 WeakPolarHBondContact O-CG 3.06Å; D241-Q245 PolarHBondContact O-N 3.4Å; D242-Q245 WeakPolarHBondContact O-CB 3.37Å; D242-Q245 PolarHBondContact O-N 2.9Å; L243-Q245 VanDerWaalsContact C-N 3.35Å; L243-Q245 PolarHBondContact O-N 2.83Å; Q245-V248 PolarHBondContact O-N 3.02Å; Q245-K249 WeakPolarHBondContact O-CG 3.44Å; Q245-K249 PolarHBondContact O-N 3Å |
| 246 | D | 83.3 | Confident | 86.4 | Confident | 28 Ų | 28 | 76.8 Ų | 76.8 | 15% | 0.15 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67.6 | -37.3 | 177.2 | -83.5 | -0.1 | 0 | 0 | 0 | 112.9 | D242 L243 N244 V248 K249 Y250 | D242-D246 PolarHBondContact O-N 3.07Å; L243-D246 PolarHBondContact O-N 3.35Å; N244-D246 VanDerWaalsContact C-N 3.31Å; N244-D246 PolarHBondContact O-N 2.9Å; D246-V248 VanDerWaalsContact C-N 3.32Å; D246-V248 PolarHBondContact O-N 3.02Å; D246-K249 PolarHBondContact O-N 3.49Å; D246-K249 IonicContact OD1-NZ 3.14Å; D246-K249 PolarHBondContact OD1-NZ 3.31Å; D246-Y250 WeakPolarHBondContact O-CB 3.48Å; D246-Y250 PolarHBondContact O-N 3.18Å |
| 247 | I | 85.1 | Confident | 86.3 | Confident | 71 Ų | 71 | 77.5 Ų | 77.5 | 36% | 0.364 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 172 | -70.2 | 164.8 | 0 | 0 | 0 | 110.5 | L243 N244 Y250 N251 | L243-I247 HydrophobicContact CD1-CD1 4.46Å; L243-I247 HydrophobicContact CD2-CD1 4.44Å; L243-I247 HydrophobicContact CG-CD1 3.9Å; L243-I247 HydrophobicContact CG-CG1 4.47Å; L243-I247 VanDerWaalsContact O-CG1 3.24Å; L243-I247 WeakPolarHBondContact O-CG1 3.22Å; L243-I247 PolarHBondContact O-N 2.91Å; N244-I247 PolarHBondContact O-N 2.96Å; I247-Y250 PolarHBondContact O-N 3.31Å; I247-N251 WeakPolarHBondContact CG2-ND2 3.45Å; I247-N251 WeakPolarHBondContact O-CB 3.05Å; I247-N251 VanDerWaalsContact O-CG 3.26Å; I247-N251 PolarHBondContact O-N 3.25Å; I247-N251 PolarHBondContact O-ND2 2.67Å |
| 248 | V | 89.1 | Confident | 86.2 | Confident | 90 Ų | 90 | 74.5 Ų | 74.5 | 55% | 0.545 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.7 | -42.9 | 176.9 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | N244 Q245 D246 Y250 N251 T252 | N244-V248 VanDerWaalsContact O-CG2 3.31Å; N244-V248 WeakPolarHBondContact O-CG2 3.5Å; N244-V248 PolarHBondContact O-N 3.45Å; Q245-V248 PolarHBondContact O-N 3.02Å; D246-V248 VanDerWaalsContact C-N 3.32Å; D246-V248 PolarHBondContact O-N 3.02Å; V248-Y250 VanDerWaalsContact C-N 3.34Å; V248-Y250 PolarHBondContact O-N 2.93Å; V248-N251 PolarHBondContact O-N 3.1Å; V248-T252 PolarHBondContact O-N 2.82Å; V248-T252 PolarHBondContact O-OG1 2.86Å |
| 249 | K | 85.9 | Confident | 86.2 | Confident | 112 Ų | 112 | 77 Ų | 77 | 49% | 0.487 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.3 | -45.7 | 173.2 | -67.4 | 170.4 | -160 | 157.1 | 0 | 110.7 | Q245 D246 T252 Y253 | Q245-K249 WeakPolarHBondContact O-CG 3.44Å; Q245-K249 PolarHBondContact O-N 3Å; D246-K249 PolarHBondContact O-N 3.49Å; D246-K249 IonicContact OD1-NZ 3.14Å; D246-K249 PolarHBondContact OD1-NZ 3.31Å; K249-T252 PolarHBondContact O-N 3.09Å; K249-Y253 PolarHBondContact O-N 3.42Å |
| 250 | Y | 84.1 | Confident | 86.1 | Confident | 94 Ų | 94 | 75.6 Ų | 75.6 | 37% | 0.369 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 177.7 | -177.9 | -99.2 | 0 | 0 | 0 | 113 | D246 I247 V248 T252 Y253 S254 P301 R303 | D246-Y250 WeakPolarHBondContact O-CB 3.48Å; D246-Y250 PolarHBondContact O-N 3.18Å; I247-Y250 PolarHBondContact O-N 3.31Å; V248-Y250 VanDerWaalsContact C-N 3.34Å; V248-Y250 PolarHBondContact O-N 2.93Å; Y250-T252 VanDerWaalsContact C-N 3.32Å; Y250-T252 PolarHBondContact O-N 2.86Å; Y250-Y253 HydrophobicContact CD2-CD1 4.46Å; Y250-Y253 HydrophobicContact CE2-CD1 4.42Å; Y250-Y253 WeakPolarHBondContact O-CB 3.4Å; Y250-Y253 PolarHBondContact O-N 3.32Å; Y250-S254 WeakPolarHBondContact O-CB 3.49Å; Y250-S254 PolarHBondContact O-N 3.35Å; Y250-P301 HydrophobicContact CD2-CG 4.16Å; Y250-R303 PolarHBondContact OH-NH2 2.94Å; Y250-R303 VanDerWaalsContact OH-NH2 3.12Å |
| 251 | N | 86.5 | Confident | 85.9 | Confident | 75 Ų | 75 | 78.6 Ų | 78.6 | 40% | 0.401 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 176 | -78.7 | -32.9 | 0 | 0 | 0 | 111.6 | I247 V248 S254 R255 | I247-N251 WeakPolarHBondContact CG2-ND2 3.45Å; I247-N251 WeakPolarHBondContact O-CB 3.05Å; I247-N251 VanDerWaalsContact O-CG 3.26Å; I247-N251 PolarHBondContact O-N 3.25Å; I247-N251 PolarHBondContact O-ND2 2.67Å; V248-N251 PolarHBondContact O-N 3.1Å; N251-S254 PolarHBondContact O-N 2.82Å; N251-R255 VanDerWaalsContact O-CG 3.3Å; N251-R255 WeakPolarHBondContact O-CG 3.17Å; N251-R255 PolarHBondContact O-N 3.12Å |
| 252 | T | 88.1 | Confident | 85.7 | Confident | 69 Ų | 69 | 79.9 Ų | 79.9 | 42% | 0.423 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 174.9 | -55.9 | 0 | 0 | 0 | 0 | 111 | V248 K249 Y250 R255 N256 | V248-T252 PolarHBondContact O-N 2.82Å; V248-T252 PolarHBondContact O-OG1 2.86Å; K249-T252 PolarHBondContact O-N 3.09Å; Y250-T252 VanDerWaalsContact C-N 3.32Å; Y250-T252 PolarHBondContact O-N 2.86Å; T252-R255 PolarHBondContact O-N 3.13Å; T252-N256 VanDerWaalsContact O-CG 3.29Å; T252-N256 PolarHBondContact O-N 2.89Å; T252-N256 PolarHBondContact O-ND2 2.93Å |
| 253 | Y | 85.1 | Confident | 85.7 | Confident | 46 Ų | 46 | 83 Ų | 83 | 18% | 0.18 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -56.9 | -49.6 | 172.7 | 172.4 | -100.4 | 0 | 0 | 0 | 112.3 | K249 Y250 R255 N256 L257 P298 Q299 A300 P301 | K249-Y253 PolarHBondContact O-N 3.42Å; Y250-Y253 HydrophobicContact CD2-CD1 4.46Å; Y250-Y253 HydrophobicContact CE2-CD1 4.42Å; Y250-Y253 WeakPolarHBondContact O-CB 3.4Å; Y250-Y253 PolarHBondContact O-N 3.32Å; Y253-R255 VanDerWaalsContact C-N 3.34Å; Y253-R255 PolarHBondContact O-N 3.1Å; Y253-N256 PolarHBondContact O-N 3.2Å; Y253-N256 VanDerWaalsContact O-N 3.15Å; Y253-L257 HydrophobicContact CE1-CD1 3.92Å; Y253-L257 WeakPolarHBondContact O-CB 3.29Å; Y253-L257 PolarHBondContact O-N 3.3Å; Y253-L257 VanDerWaalsContact OH-CD1 3.32Å; Y253-L257 WeakPolarHBondContact OH-CD1 3.24Å; Y253-P298 HydrophobicContact CD2-CB 4.2Å; Y253-P298 HydrophobicContact CE2-CB 3.81Å; Y253-P298 HydrophobicContact CE2-CG 4.42Å; Y253-P298 VanDerWaalsContact CE2-O 3.27Å; Y253-P298 WeakPolarHBondContact CE2-O 3.24Å; Y253-P298 PolarHBondContact OH-O 3.35Å; Y253-Q299 WeakPolarHBondContact CD2-O 3.49Å; Y253-Q299 VanDerWaalsContact CE2-O 3.25Å; Y253-Q299 WeakPolarHBondContact CE2-O 3.3Å; Y253-A300 HydrophobicContact CE1-CB 4.19Å; Y253-A300 VanDerWaalsContact CE2-CA 3.5Å; Y253-A300 HydrophobicContact CE2-CB 4.27Å; Y253-P301 HydrophobicContact CG-CG 4.43Å |
| 254 | S | 82.6 | Confident | 85.6 | Confident | 55 Ų | 55 | 85 Ų | 85 | 39% | 0.385 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.6 | -42.8 | 178.9 | -178.9 | 0 | 0 | 0 | 0 | 112 | Y250 N251 L257 S258 | Y250-S254 WeakPolarHBondContact O-CB 3.49Å; Y250-S254 PolarHBondContact O-N 3.35Å; N251-S254 PolarHBondContact O-N 2.82Å; S254-L257 PolarHBondContact O-N 2.89Å; S254-S258 WeakPolarHBondContact O-CB 3.36Å; S254-S258 PolarHBondContact O-N 3.07Å |
| 255 | R | 87.3 | Confident | 85.5 | Confident | 176 Ų | 176 | 87.1 Ų | 87.1 | 66% | 0.664 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62 | -43.5 | 174.5 | -73.3 | 173.9 | -177.9 | -178 | 1.7 | 112 | N251 T252 Y253 K259 | N251-R255 VanDerWaalsContact O-CG 3.3Å; N251-R255 WeakPolarHBondContact O-CG 3.17Å; N251-R255 PolarHBondContact O-N 3.12Å; T252-R255 PolarHBondContact O-N 3.13Å; Y253-R255 VanDerWaalsContact C-N 3.34Å; Y253-R255 PolarHBondContact O-N 3.1Å; R255-K259 WeakPolarHBondContact O-CB 3.4Å; R255-K259 WeakPolarHBondContact O-CG 3.4Å; R255-K259 PolarHBondContact O-N 3.21Å |
| 256 | N | 85.5 | Confident | 85.4 | Confident | 81 Ų | 81 | 88 Ų | 88 | 43% | 0.433 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.1 | -41.4 | 178.9 | -71.6 | -18 | 0 | 0 | 0 | 111.9 | T252 Y253 K259 Q260 | T252-N256 VanDerWaalsContact O-CG 3.29Å; T252-N256 PolarHBondContact O-N 2.89Å; T252-N256 PolarHBondContact O-ND2 2.93Å; Y253-N256 PolarHBondContact O-N 3.2Å; Y253-N256 VanDerWaalsContact O-N 3.15Å; N256-K259 PolarHBondContact O-N 3.44Å; N256-Q260 WeakPolarHBondContact O-CB 3.41Å; N256-Q260 PolarHBondContact O-N 3.48Å |
| 257 | L | 84.1 | Confident | 85.3 | Confident | 44 Ų | 44 | 90.3 Ų | 90.3 | 23% | 0.23 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 176.4 | -174.9 | 144.9 | 0 | 0 | 0 | 111.6 | Y253 S254 Q260 Q261 | Y253-L257 HydrophobicContact CE1-CD1 3.92Å; Y253-L257 WeakPolarHBondContact O-CB 3.29Å; Y253-L257 PolarHBondContact O-N 3.3Å; Y253-L257 VanDerWaalsContact OH-CD1 3.32Å; Y253-L257 WeakPolarHBondContact OH-CD1 3.24Å; S254-L257 PolarHBondContact O-N 2.89Å; L257-Q260 PolarHBondContact O-N 2.99Å; L257-Q261 HydrophobicContact CD2-CG 4.18Å; L257-Q261 WeakPolarHBondContact O-CB 3.4Å; L257-Q261 WeakPolarHBondContact O-CG 3.17Å; L257-Q261 PolarHBondContact O-N 3.19Å |
| 258 | S | 84.9 | Confident | 85.2 | Confident | 54 Ų | 54 | 90.2 Ų | 90.2 | 38% | 0.378 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 175.4 | -178.7 | 0 | 0 | 0 | 0 | 111.9 | S254 Q260 Q261 Q262 | S254-S258 WeakPolarHBondContact O-CB 3.36Å; S254-S258 PolarHBondContact O-N 3.07Å; S258-Q260 PolarHBondContact O-N 3.06Å; S258-Q261 PolarHBondContact O-N 3.3Å; S258-Q262 WeakPolarHBondContact O-CG 3.42Å; S258-Q262 PolarHBondContact O-N 3.16Å |
| 259 | K | 87.6 | Confident | 85 | Confident | 128 Ų | 128 | 90.4 Ų | 90.4 | 56% | 0.557 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -60 | -45.1 | 174.1 | -76.5 | 177.5 | 179.9 | -178.6 | 0 | 112.1 | R255 N256 Q262 Q263 | R255-K259 WeakPolarHBondContact O-CB 3.4Å; R255-K259 WeakPolarHBondContact O-CG 3.4Å; R255-K259 PolarHBondContact O-N 3.21Å; N256-K259 PolarHBondContact O-N 3.44Å; K259-Q262 PolarHBondContact O-N 3.36Å; K259-Q263 WeakPolarHBondContact O-CG 3.48Å; K259-Q263 PolarHBondContact O-N 3.38Å |
| 260 | Q | 83.1 | Confident | 84.8 | Confident | 44 Ų | 44 | 94.2 Ų | 94.2 | 21% | 0.206 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -67.9 | -38.3 | 179.6 | -164.6 | -176.7 | 30.9 | 0 | 0 | 111.9 | N256 L257 S258 Q263 K264 F295 K296 | N256-Q260 WeakPolarHBondContact O-CB 3.41Å; N256-Q260 PolarHBondContact O-N 3.48Å; L257-Q260 PolarHBondContact O-N 2.99Å; S258-Q260 PolarHBondContact O-N 3.06Å; Q260-Q263 PolarHBondContact O-N 3.1Å; Q260-K264 WeakPolarHBondContact O-CB 3.34Å; Q260-K264 PolarHBondContact O-N 3.12Å; Q260-F295 HydrophobicContact CG-CD1 3.98Å; Q260-K296 PolarHBondContact NE2-O 3.06Å; Q260-K296 PolarHBondContact OE1-O 3.03Å |
| 261 | Q | 84.1 | Confident | 84.5 | Confident | 119 Ų | 119 | 93 Ų | 93 | 56% | 0.556 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -62.9 | -42.3 | 173.2 | -78.1 | -178.6 | -13.9 | 0 | 0 | 111.8 | L257 S258 K264 H265 | L257-Q261 HydrophobicContact CD2-CG 4.18Å; L257-Q261 WeakPolarHBondContact O-CB 3.4Å; L257-Q261 WeakPolarHBondContact O-CG 3.17Å; L257-Q261 PolarHBondContact O-N 3.19Å; S258-Q261 PolarHBondContact O-N 3.3Å; Q261-K264 PolarHBondContact O-N 2.9Å; Q261-H265 WeakPolarHBondContact O-CB 3.42Å; Q261-H265 PolarHBondContact O-N 3.15Å |
| 262 | Q | 86.4 | Confident | 84.2 | Confident | 116 Ų | 116 | 95.9 Ų | 95.9 | 54% | 0.542 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 174.5 | -75.9 | -179.9 | -7 | 0 | 0 | 111.9 | S258 K259 K264 H265 Q266 | S258-Q262 WeakPolarHBondContact O-CG 3.42Å; S258-Q262 PolarHBondContact O-N 3.16Å; K259-Q262 PolarHBondContact O-N 3.36Å; Q262-K264 PolarHBondContact O-N 2.85Å; Q262-H265 PolarHBondContact O-N 3.49Å; Q262-Q266 WeakPolarHBondContact O-CB 3.37Å; Q262-Q266 WeakPolarHBondContact O-CG 3.27Å; Q262-Q266 PolarHBondContact O-N 3.14Å |
| 263 | Q | 85.9 | Confident | 83.9 | Confident | 113 Ų | 113 | 98.3 Ų | 98.3 | 53% | 0.528 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 175.4 | -73.8 | 176.1 | 7 | 0 | 0 | 111.8 | K259 Q260 Q266 Y267 F295 | K259-Q263 WeakPolarHBondContact O-CG 3.48Å; K259-Q263 PolarHBondContact O-N 3.38Å; Q260-Q263 PolarHBondContact O-N 3.1Å; Q263-Q266 PolarHBondContact O-N 3Å; Q263-Y267 VanDerWaalsContact O-CB 3.26Å; Q263-Y267 WeakPolarHBondContact O-CB 3.4Å; Q263-Y267 PolarHBondContact O-N 3.06Å; Q263-F295 HydrophobicContact CB-CE1 4.19Å |
| 264 | K | 82.5 | Confident | 83.7 | Confident | 82 Ų | 82 | 99.6 Ų | 99.6 | 36% | 0.357 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 174.9 | -178 | 178.4 | 172.8 | 174.1 | 0 | 111.3 | Q260 Q261 Q262 Y267 L268 I291 F295 | Q260-K264 WeakPolarHBondContact O-CB 3.34Å; Q260-K264 PolarHBondContact O-N 3.12Å; Q261-K264 PolarHBondContact O-N 2.9Å; Q262-K264 PolarHBondContact O-N 2.85Å; K264-Y267 PolarHBondContact O-N 2.74Å; K264-L268 HydrophobicContact CG-CD1 4.04Å; K264-L268 WeakPolarHBondContact O-CB 3.36Å; K264-L268 VanDerWaalsContact O-CG 3.28Å; K264-L268 WeakPolarHBondContact O-CG 3.28Å; K264-L268 PolarHBondContact O-N 3.09Å; K264-I291 HydrophobicContact CD-CG2 4.23Å; K264-I291 HydrophobicContact CG-CG2 4.18Å; K264-F295 HydrophobicContact CB-CD2 4.44Å; K264-F295 HydrophobicContact CB-CG 4.42Å; K264-F295 HydrophobicContact CG-CD2 4.39Å |
| 265 | H | 85.8 | Confident | 83.4 | Confident | 122 Ų | 122 | 99 Ų | 99 | 57% | 0.565 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -66.3 | -44.3 | 178.7 | -168.8 | 75.1 | 0 | 0 | 0 | 112 | Q261 Q262 Y267 L268 Q269 | Q261-H265 WeakPolarHBondContact O-CB 3.42Å; Q261-H265 PolarHBondContact O-N 3.15Å; Q262-H265 PolarHBondContact O-N 3.49Å; H265-Y267 VanDerWaalsContact C-N 3.34Å; H265-Y267 PolarHBondContact O-N 3.04Å; H265-L268 PolarHBondContact O-N 3.28Å; H265-Q269 WeakPolarHBondContact O-CB 3.49Å; H265-Q269 PolarHBondContact O-N 3.35Å |
| 266 | Q | 85.8 | Confident | 82.9 | Confident | 129 Ų | 129 | 94.7 Ų | 94.7 | 60% | 0.603 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -62 | -41.4 | 174.2 | -73.8 | -179.1 | 15.8 | 0 | 0 | 111.9 | Q262 Q263 Q269 R270 | Q262-Q266 WeakPolarHBondContact O-CB 3.37Å; Q262-Q266 WeakPolarHBondContact O-CG 3.27Å; Q262-Q266 PolarHBondContact O-N 3.14Å; Q263-Q266 PolarHBondContact O-N 3Å; Q266-Q269 PolarHBondContact O-N 3.21Å; Q266-R270 WeakPolarHBondContact O-CB 3.29Å; Q266-R270 PolarHBondContact O-N 3.41Å |
| 267 | Y | 82.6 | Confident | 82.6 | Confident | 77 Ų | 77 | 96.9 Ų | 96.9 | 30% | 0.302 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 176.4 | -175.7 | -95.9 | 0 | 0 | 0 | 111.8 | Q263 K264 H265 R270 R271 F295 | Q263-Y267 VanDerWaalsContact O-CB 3.26Å; Q263-Y267 WeakPolarHBondContact O-CB 3.4Å; Q263-Y267 PolarHBondContact O-N 3.06Å; K264-Y267 PolarHBondContact O-N 2.74Å; H265-Y267 VanDerWaalsContact C-N 3.34Å; H265-Y267 PolarHBondContact O-N 3.04Å; Y267-R270 PolarHBondContact O-N 2.88Å; Y267-R271 HydrophobicContact CD1-CG 4.17Å; Y267-R271 HydrophobicContact CE1-CG 3.8Å; Y267-R271 WeakPolarHBondContact O-CB 3.4Å; Y267-R271 WeakPolarHBondContact O-CG 3.4Å; Y267-R271 PolarHBondContact O-N 3.45Å; Y267-R271 PolarHBondContact OH-NE 2.87Å; Y267-R271 VanDerWaalsContact OH-NE 3.13Å; Y267-R271 PolarHBondContact OH-NH2 2.99Å; Y267-F295 HydrophobicContact CD1-CE2 4.19Å; Y267-F295 HydrophobicContact CG-CE2 4.19Å; Y267-F295 HydrophobicContact CG-CZ 4.38Å |
| 268 | L | 82.1 | Confident | 82 | Confident | 68 Ų | 68 | 98.3 Ų | 98.3 | 36% | 0.356 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 175.8 | -78.2 | 167.7 | 0 | 0 | 0 | 111.8 | K264 H265 R270 R271 Q272 I291 | K264-L268 HydrophobicContact CG-CD1 4.04Å; K264-L268 WeakPolarHBondContact O-CB 3.36Å; K264-L268 VanDerWaalsContact O-CG 3.28Å; K264-L268 WeakPolarHBondContact O-CG 3.28Å; K264-L268 PolarHBondContact O-N 3.09Å; H265-L268 PolarHBondContact O-N 3.28Å; L268-R270 PolarHBondContact O-N 3.45Å; L268-R271 PolarHBondContact O-N 3.4Å; L268-Q272 WeakPolarHBondContact O-CB 3.37Å; L268-Q272 PolarHBondContact O-N 3.04Å; L268-I291 HydrophobicContact CD2-CD1 3.67Å; L268-I291 HydrophobicContact CD2-CG1 4.45Å |
| 269 | Q | 84.3 | Confident | 81.3 | Confident | 95 Ų | 95 | 102 Ų | 102 | 44% | 0.444 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 179.7 | -166.3 | 176.9 | 36.1 | 0 | 0 | 111.5 | H265 Q266 Q272 Q273 | H265-Q269 WeakPolarHBondContact O-CB 3.49Å; H265-Q269 PolarHBondContact O-N 3.35Å; Q266-Q269 PolarHBondContact O-N 3.21Å; Q269-Q272 PolarHBondContact O-N 2.98Å; Q269-Q273 WeakPolarHBondContact O-CG 3.32Å; Q269-Q273 PolarHBondContact O-N 3.26Å |
| 270 | R | 83.6 | Confident | 80.5 | Confident | 192 Ų | 192 | 100.7 Ų | 100.7 | 73% | 0.725 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -66.1 | -42.8 | 176.6 | -165.6 | 173.8 | -178.4 | 175.8 | 0.1 | 111.8 | Q266 Y267 L268 Q273 E274 | Q266-R270 WeakPolarHBondContact O-CB 3.29Å; Q266-R270 PolarHBondContact O-N 3.41Å; Y267-R270 PolarHBondContact O-N 2.88Å; L268-R270 PolarHBondContact O-N 3.45Å; R270-Q273 PolarHBondContact O-N 2.98Å; R270-E274 WeakPolarHBondContact O-CB 3.42Å; R270-E274 PolarHBondContact O-N 2.99Å |
| 271 | R | 76.1 | Confident | 80 | Confident | 69 Ų | 69 | 108 Ų | 108 | 26% | 0.26 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.4 | -42.2 | 173.4 | -80.9 | -79.3 | -170.3 | 158.6 | 0.8 | 112 | Y267 L268 E274 N275 | Y267-R271 HydrophobicContact CD1-CG 4.17Å; Y267-R271 HydrophobicContact CE1-CG 3.8Å; Y267-R271 WeakPolarHBondContact O-CB 3.4Å; Y267-R271 WeakPolarHBondContact O-CG 3.4Å; Y267-R271 PolarHBondContact O-N 3.45Å; Y267-R271 PolarHBondContact OH-NE 2.87Å; Y267-R271 VanDerWaalsContact OH-NE 3.13Å; Y267-R271 PolarHBondContact OH-NH2 2.99Å; L268-R271 PolarHBondContact O-N 3.4Å; R271-E274 PolarHBondContact O-N 2.97Å; R271-N275 WeakPolarHBondContact O-CB 3.46Å; R271-N275 PolarHBondContact O-N 3.43Å |
| 272 | Q | 81.3 | Confident | 78.8 | Confident | 135 Ų | 135 | 105.7 Ų | 105.7 | 63% | 0.631 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.6 | -41.7 | 178.4 | -167.1 | 174.7 | 20.7 | 0 | 0 | 111.5 | L268 Q269 N275 T276 | L268-Q272 WeakPolarHBondContact O-CB 3.37Å; L268-Q272 PolarHBondContact O-N 3.04Å; Q269-Q272 PolarHBondContact O-N 2.98Å; Q272-N275 PolarHBondContact O-N 3.39Å; Q272-T276 PolarHBondContact O-N 2.92Å; Q272-T276 PolarHBondContact O-OG1 3.45Å |
| 273 | Q | 82.2 | Confident | 77.6 | Confident | 120 Ų | 120 | 105.4 Ų | 105.4 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.8 | -41.7 | 174.3 | -72.9 | 173.6 | 5 | 0 | 0 | 112.3 | Q269 R270 T276 Q277 | Q269-Q273 WeakPolarHBondContact O-CG 3.32Å; Q269-Q273 PolarHBondContact O-N 3.26Å; R270-Q273 PolarHBondContact O-N 2.98Å; Q273-T276 PolarHBondContact O-N 2.86Å; Q273-Q277 PolarHBondContact O-N 3.37Å |
| 274 | E | 79.6 | Confident | 76.1 | Confident | 72 Ų | 72 | 105.2 Ų | 105.2 | 34% | 0.336 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.4 | -40.7 | 178 | -161.1 | -178.1 | 163.3 | 0 | 0 | 111.9 | R270 R271 Q277 R278 | R270-E274 WeakPolarHBondContact O-CB 3.42Å; R270-E274 PolarHBondContact O-N 2.99Å; R271-E274 PolarHBondContact O-N 2.97Å; E274-Q277 PolarHBondContact O-N 3.42Å; E274-R278 WeakPolarHBondContact O-CG 3.48Å; E274-R278 PolarHBondContact O-N 3.21Å; E274-R278 IonicContact OE1-CZ 3.56Å; E274-R278 IonicContact OE1-NE 3.46Å; E274-R278 PolarHBondContact OE1-NE 3.49Å; E274-R278 IonicContact OE1-NH2 2.8Å; E274-R278 PolarHBondContact OE1-NH2 3.42Å |
| 275 | N | 76 | Confident | 75 | Confident | 44 Ų | 44 | 104.9 Ų | 104.9 | 24% | 0.235 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 175.4 | -80.3 | -8.1 | 0 | 0 | 0 | 112.2 | R271 Q272 Q277 R278 Q279 | R271-N275 WeakPolarHBondContact O-CB 3.46Å; R271-N275 PolarHBondContact O-N 3.43Å; Q272-N275 PolarHBondContact O-N 3.39Å; N275-Q277 VanDerWaalsContact C-N 3.34Å; N275-Q277 PolarHBondContact O-N 3.28Å; N275-R278 PolarHBondContact O-N 3.41Å; N275-Q279 PolarHBondContact O-N 3.36Å |
| 276 | T | 78.6 | Confident | 73.6 | Confident | 85 Ų | 85 | 101.7 Ų | 101.7 | 52% | 0.521 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.5 | -38.4 | 174.8 | -52.5 | 0 | 0 | 0 | 0 | 111.6 | Q272 Q273 S280 | Q272-T276 PolarHBondContact O-N 2.92Å; Q272-T276 PolarHBondContact O-OG1 3.45Å; Q273-T276 PolarHBondContact O-N 2.86Å; T276-S280 PolarHBondContact O-N 2.83Å; T276-S280 VanDerWaalsContact O-N 3.11Å |
| 277 | Q | 78.5 | Confident | 72.1 | Confident | 126 Ų | 126 | 100.2 Ų | 100.2 | 59% | 0.589 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.2 | -42.5 | 174 | -99.6 | -177.7 | 8.8 | 0 | 0 | 112.5 | Q273 E274 N275 S280 R281 | Q273-Q277 PolarHBondContact O-N 3.37Å; E274-Q277 PolarHBondContact O-N 3.42Å; N275-Q277 VanDerWaalsContact C-N 3.34Å; N275-Q277 PolarHBondContact O-N 3.28Å; Q277-S280 PolarHBondContact O-N 2.92Å; Q277-S280 PolarHBondContact O-OG 3.37Å; Q277-R281 PolarHBondContact O-N 2.92Å |
| 278 | R | 70.9 | Confident | 70.7 | Confident | 75 Ų | 75 | 105.9 Ų | 105.9 | 28% | 0.283 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.8 | -35.9 | 177.8 | -70.5 | -177.5 | -172.4 | -134.5 | 6.7 | 112.7 | E274 N275 S280 R281 G282 E283 | E274-R278 WeakPolarHBondContact O-CG 3.48Å; E274-R278 PolarHBondContact O-N 3.21Å; E274-R278 IonicContact OE1-CZ 3.56Å; E274-R278 IonicContact OE1-NE 3.46Å; E274-R278 PolarHBondContact OE1-NE 3.49Å; E274-R278 IonicContact OE1-NH2 2.8Å; E274-R278 PolarHBondContact OE1-NH2 3.42Å; N275-R278 PolarHBondContact O-N 3.41Å; R278-S280 VanDerWaalsContact C-N 3.35Å; R278-S280 PolarHBondContact O-N 3.36Å; R278-R281 CarbonylContact O-C 3.56Å; R278-R281 PolarHBondContact O-N 3.23Å; R278-R281 VanDerWaalsContact O-N 3.07Å; R278-G282 PolarHBondContact O-N 2.91Å; R278-G282 VanDerWaalsContact O-N 3.1Å; R278-E283 PolarHBondContact O-N 3.05Å |
| 279 | Q | 70.3 | Confident | 69.2 | Low | 132 Ų | 132 | 109.3 Ų | 109.3 | 62% | 0.617 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.8 | -40 | 170.8 | -89.8 | 175 | -14 | 0 | 0 | 112.6 | N275 R281 G282 | N275-Q279 PolarHBondContact O-N 3.36Å; Q279-R281 PolarHBondContact O-N 3.45Å; Q279-G282 PolarHBondContact O-N 2.98Å |
| 280 | S | 71.3 | Confident | 67.8 | Low | 99 Ų | 99 | 109.2 Ų | 109.2 | 69% | 0.692 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.8 | -20.3 | 174.6 | 76.3 | 0 | 0 | 0 | 0 | 113.5 | T276 Q277 R278 | T276-S280 PolarHBondContact O-N 2.83Å; T276-S280 VanDerWaalsContact O-N 3.11Å; Q277-S280 PolarHBondContact O-N 2.92Å; Q277-S280 PolarHBondContact O-OG 3.37Å; R278-S280 VanDerWaalsContact C-N 3.35Å; R278-S280 PolarHBondContact O-N 3.36Å |
| 281 | R | 73.2 | Confident | 66.3 | Low | 197 Ų | 197 | 103 Ų | 103 | 74% | 0.743 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -2.9 | 177.2 | -68.7 | -177 | 177.4 | -167.9 | 0.1 | 114 | Q277 R278 Q279 | Q277-R281 PolarHBondContact O-N 2.92Å; R278-R281 CarbonylContact O-C 3.56Å; R278-R281 PolarHBondContact O-N 3.23Å; R278-R281 VanDerWaalsContact O-N 3.07Å; Q279-R281 PolarHBondContact O-N 3.45Å |
| 282 | G | 58 | Low | 65.3 | Low | 71 Ų | 71 | 104.1 Ų | 104.1 | 73% | 0.732 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.6 | 14.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | R278 Q279 | R278-G282 PolarHBondContact O-N 2.91Å; R278-G282 VanDerWaalsContact O-N 3.1Å; Q279-G282 PolarHBondContact O-N 2.98Å |
| 283 | E | 61.3 | Low | 64.2 | Low | 110 Ų | 110 | 105.5 Ų | 105.5 | 51% | 0.514 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -93.5 | 149.4 | 176 | -74.4 | -179.8 | -178.9 | 0 | 0 | 112 | R278 | R278-E283 PolarHBondContact O-N 3.05Š|
| 284 | P | 54.7 | Low | 63 | Low | 109 Ų | 109 | 105 Ų | 105 | 71% | 0.708 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -65 | 141.2 | 179.1 | 24.7 | -31.5 | 0 | 0 | 0 | 111.8 | ||
| 285 | P | 58.5 | Low | 62.1 | Low | 75 Ų | 75 | 103.3 Ų | 103.3 | 49% | 0.487 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 150.7 | -178.1 | 25.4 | -32.3 | 0 | 0 | 0 | 112.2 | ||
| 286 | L | 56.8 | Low | 61.6 | Low | 55 Ų | 55 | 109.6 Ų | 109.6 | 29% | 0.288 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -63.5 | 142.5 | 178.2 | -81.8 | 158.9 | 0 | 0 | 0 | 111.2 | ||
| 287 | P | 54.2 | Low | 60.9 | Low | 99 Ų | 99 | 110.1 Ų | 110.1 | 64% | 0.643 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 143.6 | -179.5 | -20 | 31 | 0 | 0 | 0 | 112.8 | E289 | P287-E289 VanDerWaalsContact C-N 3.26Å; P287-E289 PolarHBondContact O-N 3.32Å |
| 288 | E | 52.8 | Low | 60.2 | Low | 195 Ų | 195 | 106 Ų | 106 | 91% | 0.911 | 56% | 0.563 | S | S | * | * | trans | -71.2 | 77.4 | 173.4 | -63.9 | -174.3 | 164.6 | 0 | 0 | 110.1 | D290 | E288-D290 PolarHBondContact O-N 3.23Š| ||
| 289 | E | 51.1 | Low | 60 | Low | 141 Ų | 141 | 111.1 Ų | 111.1 | 66% | 0.659 | 59% | 0.591 | S | S | * | * | trans | -64.9 | 124.9 | 165.5 | -76 | -165.4 | 128.4 | 0 | 0 | 109.1 | P287 I291 | P287-E289 VanDerWaalsContact C-N 3.26Å; P287-E289 PolarHBondContact O-N 3.32Å; E289-I291 PolarHBondContact O-N 2.93Å | ||
| 290 | D | 54.8 | Low | 59.7 | Low | 92 Ų | 92 | 106.1 Ų | 106.1 | 49% | 0.492 | 57% | 0.572 | S | S | . | * | trans | -43.3 | 99.9 | -176.9 | -74.5 | -45.1 | 0 | 0 | 0 | 111.8 | E288 S292 K293 | E288-D290 PolarHBondContact O-N 3.23Å; D290-S292 PolarHBondContact O-N 3.31Å; D290-K293 HydrophobicContact CB-CB 4.27Å; D290-K293 HydrophobicContact CB-CD 4.05Å; D290-K293 HydrophobicContact CB-CG 3.98Å; D290-K293 PolarHBondContact O-N 3.44Å; D290-K293 IonicContact OD2-NZ 2.78Å; D290-K293 PolarHBondContact OD2-NZ 3.35Å | ||
| 291 | I | 53 | Low | 59.5 | Low | 61 Ų | 61 | 103.2 Ų | 103.2 | 31% | 0.313 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -54.9 | -23.7 | 175.3 | -63.8 | 145 | 0 | 0 | 0 | 111 | K264 L268 E289 F295 | K264-I291 HydrophobicContact CD-CG2 4.23Å; K264-I291 HydrophobicContact CG-CG2 4.18Å; L268-I291 HydrophobicContact CD2-CD1 3.67Å; L268-I291 HydrophobicContact CD2-CG1 4.45Å; E289-I291 PolarHBondContact O-N 2.93Å; I291-F295 HydrophobicContact CG2-CD2 4.23Å; I291-F295 PolarHBondContact O-N 2.85Å |
| 292 | S | 54.6 | Low | 59.2 | Low | 94 Ų | 94 | 97.2 Ų | 97.2 | 66% | 0.657 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -70.9 | -23.2 | 174.6 | -60.3 | 0 | 0 | 0 | 0 | 114.5 | D290 | D290-S292 PolarHBondContact O-N 3.31Å |
| 293 | K | 57.6 | Low | 59.8 | Low | 163 Ų | 163 | 97.7 Ų | 97.7 | 71% | 0.709 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -82.7 | -32 | 174.8 | -74.6 | 178.3 | -178.8 | 138.3 | 0 | 112.5 | D290 | D290-K293 HydrophobicContact CB-CB 4.27Å; D290-K293 HydrophobicContact CB-CD 4.05Å; D290-K293 HydrophobicContact CB-CG 3.98Å; D290-K293 PolarHBondContact O-N 3.44Å; D290-K293 IonicContact OD2-NZ 2.78Å; D290-K293 PolarHBondContact OD2-NZ 3.35Å |
| 294 | L | 57.9 | Low | 60.1 | Low | 111 Ų | 111 | 93.7 Ų | 93.7 | 58% | 0.581 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -80.5 | -39 | 179.4 | -111.5 | 82.1 | 0 | 0 | 0 | 113.3 | ||
| 295 | F | 60.1 | Low | 61 | Low | 36 Ų | 36 | 90.8 Ų | 90.8 | 16% | 0.158 | 48% | 0.477 | C | S | . | . | S | Bend | trans | -111.7 | 77.7 | -179.5 | -64.8 | -81.3 | 0 | 0 | 0 | 110.2 | Q260 Q263 K264 Y267 I291 P297 | Q260-F295 HydrophobicContact CG-CD1 3.98Å; Q263-F295 HydrophobicContact CB-CE1 4.19Å; K264-F295 HydrophobicContact CB-CD2 4.44Å; K264-F295 HydrophobicContact CB-CG 4.42Å; K264-F295 HydrophobicContact CG-CD2 4.39Å; Y267-F295 HydrophobicContact CD1-CE2 4.19Å; Y267-F295 HydrophobicContact CG-CE2 4.19Å; Y267-F295 HydrophobicContact CG-CZ 4.38Å; I291-F295 HydrophobicContact CG2-CD2 4.23Å; I291-F295 PolarHBondContact O-N 2.85Å; F295-P297 WeakPolarHBondContact O-CD 3.29Å |
| 296 | K | 64.8 | Low | 61.8 | Low | 176 Ų | 176 | 89.4 Ų | 89.4 | 77% | 0.765 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 118.5 | 173.6 | -159.5 | 171.4 | -173 | 179.6 | 0 | 108.5 | Q260 | Q260-K296 PolarHBondContact NE2-O 3.06Å; Q260-K296 PolarHBondContact OE1-O 3.03Å |
| 297 | P | 64 | Low | 62.8 | Low | 95 Ų | 95 | 88.2 Ų | 88.2 | 62% | 0.617 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 141.3 | -179.5 | 21.3 | -28.4 | 0 | 0 | 0 | 109.2 | F295 Q299 | F295-P297 WeakPolarHBondContact O-CD 3.29Å; P297-Q299 PolarHBondContact O-N 3.49Å |
| 298 | P | 65 | Low | 64 | Low | 40 Ų | 40 | 83.8 Ų | 83.8 | 26% | 0.26 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 140.5 | -179.6 | -5.2 | 25.8 | 0 | 0 | 0 | 106.6 | Y253 A300 | Y253-P298 HydrophobicContact CD2-CB 4.2Å; Y253-P298 HydrophobicContact CE2-CB 3.81Å; Y253-P298 HydrophobicContact CE2-CG 4.42Å; Y253-P298 VanDerWaalsContact CE2-O 3.27Å; Y253-P298 WeakPolarHBondContact CE2-O 3.24Å; Y253-P298 PolarHBondContact OH-O 3.35Å; P298-A300 PolarHBondContact O-N 3.09Å |
| 299 | Q | 65.9 | Low | 65.3 | Low | 183 Ų | 183 | 75.4 Ų | 75.4 | 86% | 0.855 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 126.7 | 178.2 | -171.3 | 175.7 | -0.8 | 0 | 0 | 108.9 | Y253 P297 | Y253-Q299 WeakPolarHBondContact CD2-O 3.49Å; Y253-Q299 VanDerWaalsContact CE2-O 3.25Å; Y253-Q299 WeakPolarHBondContact CE2-O 3.3Å; P297-Q299 PolarHBondContact O-N 3.49Å |
| 300 | A | 65.1 | Low | 66.7 | Low | 27 Ų | 27 | 70.3 Ų | 70.3 | 22% | 0.223 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 139.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | T174 Y253 P298 | T174-A300 HydrophobicContact CG2-CB 3.59Å; Y253-A300 HydrophobicContact CE1-CB 4.19Å; Y253-A300 VanDerWaalsContact CE2-CA 3.5Å; Y253-A300 HydrophobicContact CE2-CB 4.27Å; P298-A300 PolarHBondContact O-N 3.09Å |
| 301 | P | 66.9 | Low | 67.8 | Low | 37 Ų | 37 | 66.6 Ų | 66.6 | 24% | 0.24 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 140.8 | 170.2 | 24 | -30.8 | 0 | 0 | 0 | 109.4 | Y250 Y253 R303 | Y250-P301 HydrophobicContact CD2-CG 4.16Å; Y253-P301 HydrophobicContact CG-CG 4.43Å; P301-R303 PolarHBondContact O-N 2.71Å |
| 302 | P | 66.8 | Low | 69.2 | Low | 71 Ų | 71 | 64.3 Ų | 64.3 | 46% | 0.461 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 121.7 | 179.3 | 24.9 | -32.4 | 0 | 0 | 0 | 109.7 | M304 | P302-M304 VanDerWaalsContact C-N 3.3Š|
| 303 | R | 69.2 | Low | 70.6 | Confident | 81 Ų | 81 | 61.2 Ų | 61.2 | 31% | 0.306 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -80.3 | -10.7 | -178.9 | -77.2 | -174.3 | 174.1 | -174.5 | -5.4 | 113.9 | T174 L177 Y250 P301 T306 L307 | T174-R303 HydrophobicContact CG2-CG 4.08Å; L177-R303 HydrophobicContact CD2-CB 3.76Å; Y250-R303 PolarHBondContact OH-NH2 2.94Å; Y250-R303 VanDerWaalsContact OH-NH2 3.12Å; P301-R303 PolarHBondContact O-N 2.71Å; R303-T306 PolarHBondContact O-N 3.29Å; R303-L307 PolarHBondContact O-N 3.47Å |
| 304 | M | 68.4 | Low | 71.8 | Confident | 26 Ų | 26 | 55.7 Ų | 55.7 | 13% | 0.128 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.2 | -43.8 | -178.7 | -179.5 | 170.9 | 61.7 | 0 | 0 | 111.7 | L124 F172 P302 T306 L307 L308 | L124-M304 HydrophobicContact CD2-SD 4.17Å; F172-M304 HydrophobicContact CD1-CB 4.44Å; F172-M304 HydrophobicContact CD1-CE 3.67Å; F172-M304 HydrophobicContact CD1-SD 3.51Å; F172-M304 VanDerWaalsContact CD1-SD 3.51Å; F172-M304 HydrophobicContact CE1-CE 3.49Å; F172-M304 VanDerWaalsContact CE1-CE 3.49Å; F172-M304 HydrophobicContact CE1-SD 3.2Å; F172-M304 WeakPolarHBondContact CE1-SD 3.44Å; F172-M304 HydrophobicContact CG-CE 4.34Å; F172-M304 HydrophobicContact CZ-CE 3.98Å; F172-M304 HydrophobicContact CZ-SD 4.14Å; P302-M304 VanDerWaalsContact C-N 3.3Å; M304-T306 VanDerWaalsContact C-N 3.32Å; M304-T306 PolarHBondContact O-N 3.47Å; M304-L307 PolarHBondContact O-N 3.26Å; M304-L307 VanDerWaalsContact O-N 3.12Å; M304-L308 HydrophobicContact CG-CD1 4.04Å; M304-L308 HydrophobicContact CG-CG 4.37Å; M304-L308 WeakPolarHBondContact O-CG 3.33Å; M304-L308 PolarHBondContact O-N 2.86Å |
| 305 | D | 73 | Confident | 73 | Confident | 48 Ų | 48 | 51 Ų | 51 | 26% | 0.257 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 179.1 | -64.7 | -33.2 | 0 | 0 | 0 | 111.1 | R121 L307 L308 I309 | R121-D305 IonicContact CZ-OD1 2.76Å; R121-D305 IonicContact CZ-OD2 3.16Å; R121-D305 IonicContact NE-OD1 3.8Å; R121-D305 PolarHBondContact NE-OD1 2.86Å; R121-D305 VanDerWaalsContact NE-OD1 3.14Å; R121-D305 IonicContact NH2-OD1 3.91Å; R121-D305 PolarHBondContact NH2-OD1 3.33Å; R121-D305 IonicContact NH2-OD2 2.61Å; R121-D305 PolarHBondContact NH2-OD2 3.1Å; D305-L307 VanDerWaalsContact C-N 3.3Å; D305-L307 PolarHBondContact O-N 3.06Å; D305-L308 PolarHBondContact O-N 2.82Å; D305-I309 WeakPolarHBondContact O-CB 3.45Å; D305-I309 WeakPolarHBondContact O-CD1 3.32Å; D305-I309 WeakPolarHBondContact O-CG1 3.38Å; D305-I309 PolarHBondContact O-N 3.18Å |
| 306 | T | 76.9 | Confident | 74.1 | Confident | 46 Ų | 46 | 49.4 Ų | 49.4 | 28% | 0.282 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.1 | -38 | 174.4 | -46.1 | 0 | 0 | 0 | 0 | 112.3 | L243 R303 M304 A310 | L243-T306 HydrophobicContact CD1-CG2 3.72Å; R303-T306 PolarHBondContact O-N 3.29Å; M304-T306 VanDerWaalsContact C-N 3.32Å; M304-T306 PolarHBondContact O-N 3.47Å; T306-A310 WeakPolarHBondContact O-CB 3.39Å; T306-A310 PolarHBondContact O-N 3.27Å |
| 307 | L | 76.4 | Confident | 75 | Confident | 30 Ų | 30 | 43.1 Ų | 43.1 | 16% | 0.157 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69.4 | -40.8 | 177.1 | -170.8 | 67.8 | 0 | 0 | 0 | 111.8 | L177 F184 M187 R303 M304 D305 A310 G311 | L177-L307 HydrophobicContact CD1-CD2 4.19Å; F184-L307 HydrophobicContact CB-CD1 3.99Å; M187-L307 HydrophobicContact CG-CD2 4.02Å; M187-L307 HydrophobicContact CG-CG 4.48Å; M187-L307 HydrophobicContact SD-CB 4.48Å; M187-L307 HydrophobicContact SD-CD2 3.46Å; M187-L307 WeakPolarHBondContact SD-CD2 3.05Å; M187-L307 HydrophobicContact SD-CG 3.59Å; M187-L307 VanDerWaalsContact SD-CG 3.59Å; R303-L307 PolarHBondContact O-N 3.47Å; M304-L307 PolarHBondContact O-N 3.26Å; M304-L307 VanDerWaalsContact O-N 3.12Å; D305-L307 VanDerWaalsContact C-N 3.3Å; D305-L307 PolarHBondContact O-N 3.06Å; L307-A310 PolarHBondContact O-N 2.97Å; L307-G311 PolarHBondContact O-N 2.96Å |
| 308 | L | 78.9 | Confident | 76 | Confident | 6 Ų | 6 | 42.2 Ų | 42.2 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63 | -45.8 | 175.1 | -70.2 | 169.5 | 0 | 0 | 0 | 111.1 | V119 R121 L124 M187 M304 D305 A310 G311 Q312 | V119-L308 HydrophobicContact CG1-CB 4.42Å; V119-L308 HydrophobicContact CG1-CD2 3.52Å; R121-L308 HydrophobicContact CB-CD1 4.33Å; L124-L308 HydrophobicContact CD1-CD2 4.23Å; M187-L308 HydrophobicContact CE-CD2 3.5Å; M187-L308 HydrophobicContact CE-CG 4.43Å; M187-L308 HydrophobicContact SD-CD2 4.41Å; M304-L308 HydrophobicContact CG-CD1 4.04Å; M304-L308 HydrophobicContact CG-CG 4.37Å; M304-L308 WeakPolarHBondContact O-CG 3.33Å; M304-L308 PolarHBondContact O-N 2.86Å; D305-L308 PolarHBondContact O-N 2.82Å; L308-A310 VanDerWaalsContact C-N 3.33Å; L308-A310 PolarHBondContact O-N 3.08Å; L308-G311 PolarHBondContact O-N 3.41Å; L308-Q312 WeakPolarHBondContact O-CG 3.35Å; L308-Q312 PolarHBondContact O-N 3.25Å |
| 309 | I | 80.8 | Confident | 76.7 | Confident | 20 Ų | 20 | 40.9 Ų | 40.9 | 10% | 0.103 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.4 | -42.9 | 176.3 | -65.3 | 161.6 | 0 | 0 | 0 | 110.5 | R239 D242 L243 D305 G311 Q312 I313 | R239-I309 HydrophobicContact CB-CG2 4.49Å; R239-I309 WeakPolarHBondContact O-CG2 3.32Å; D242-I309 HydrophobicContact CB-CD1 4.22Å; L243-I309 HydrophobicContact CB-CG2 3.9Å; L243-I309 HydrophobicContact CD1-CG2 4.38Å; D305-I309 WeakPolarHBondContact O-CB 3.45Å; D305-I309 WeakPolarHBondContact O-CD1 3.32Å; D305-I309 WeakPolarHBondContact O-CG1 3.38Å; D305-I309 PolarHBondContact O-N 3.18Å; I309-G311 VanDerWaalsContact C-N 3.34Å; I309-G311 PolarHBondContact O-N 3Å; I309-Q312 WeakPolarHBondContact O-CB 3.47Å; I309-Q312 PolarHBondContact O-N 3.04Å; I309-I313 HydrophobicContact CG2-CD1 3.89Å; I309-I313 HydrophobicContact CG2-CG1 4.46Å; I309-I313 VanDerWaalsContact O-CG1 3.31Å; I309-I313 WeakPolarHBondContact O-CG1 3.2Å; I309-I313 PolarHBondContact O-N 3.44Å |
| 310 | A | 80.1 | Confident | 77.6 | Confident | 33 Ų | 33 | 33.7 Ų | 33.7 | 27% | 0.273 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.2 | -40.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T306 L307 L308 I313 N314 | T306-A310 WeakPolarHBondContact O-CB 3.39Å; T306-A310 PolarHBondContact O-N 3.27Å; L307-A310 PolarHBondContact O-N 2.97Å; L308-A310 VanDerWaalsContact C-N 3.33Å; L308-A310 PolarHBondContact O-N 3.08Å; A310-I313 PolarHBondContact O-N 3.44Å; A310-N314 PolarHBondContact O-N 2.89Å |
| 311 | G | 78.8 | Confident | 78.6 | Confident | 15 Ų | 15 | 39.2 Ų | 39.2 | 16% | 0.155 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.8 | -43.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L307 L308 I309 N314 N315 | L307-G311 PolarHBondContact O-N 2.96Å; L308-G311 PolarHBondContact O-N 3.41Å; I309-G311 VanDerWaalsContact C-N 3.34Å; I309-G311 PolarHBondContact O-N 3Å; G311-N314 PolarHBondContact O-N 2.98Å; G311-N315 PolarHBondContact O-N 3.43Å |
| 312 | Q | 81.8 | Confident | 79.4 | Confident | 13 Ų | 13 | 41.9 Ų | 41.9 | 6% | 0.061 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.9 | -48 | 174.2 | -72.2 | -175.4 | 4.6 | 0 | 0 | 111.9 | V119 L308 I309 N314 N315 Y316 | V119-Q312 HydrophobicContact CB-CG 3.7Å; V119-Q312 HydrophobicContact CG1-CG 4.44Å; V119-Q312 HydrophobicContact CG2-CG 4.46Å; V119-Q312 PolarHBondContact O-NE2 2.97Å; L308-Q312 WeakPolarHBondContact O-CG 3.35Å; L308-Q312 PolarHBondContact O-N 3.25Å; I309-Q312 WeakPolarHBondContact O-CB 3.47Å; I309-Q312 PolarHBondContact O-N 3.04Å; Q312-N314 VanDerWaalsContact C-N 3.28Å; Q312-N314 PolarHBondContact O-N 2.98Å; Q312-N315 WeakPolarHBondContact O-CB 3.48Å; Q312-N315 PolarHBondContact O-N 3.14Å; Q312-N315 VanDerWaalsContact O-N 3.07Å; Q312-Y316 HydrophobicContact CB-CD2 4.5Å; Q312-Y316 HydrophobicContact CB-CE2 4.3Å; Q312-Y316 WeakPolarHBondContact O-CD2 3.46Å; Q312-Y316 PolarHBondContact O-N 2.84Å |
| 313 | I | 83.6 | Confident | 80.2 | Confident | 28 Ų | 28 | 39.3 Ų | 39.3 | 14% | 0.144 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.3 | -43.4 | 178 | -71.7 | 166.5 | 0 | 0 | 0 | 110.7 | L236 R239 V240 L243 I309 A310 Y316 C317 | L236-I313 HydrophobicContact CD1-CB 4.36Å; L236-I313 HydrophobicContact CD1-CG1 4.2Å; L236-I313 HydrophobicContact CD1-CG2 4.02Å; R239-I313 HydrophobicContact CB-CG1 4.15Å; V240-I313 HydrophobicContact CG2-CD1 4.15Å; V240-I313 HydrophobicContact CG2-CG1 4.46Å; L243-I313 HydrophobicContact CB-CD1 4.26Å; L243-I313 HydrophobicContact CD2-CD1 3.75Å; I309-I313 HydrophobicContact CG2-CD1 3.89Å; I309-I313 HydrophobicContact CG2-CG1 4.46Å; I309-I313 VanDerWaalsContact O-CG1 3.31Å; I309-I313 WeakPolarHBondContact O-CG1 3.2Å; I309-I313 PolarHBondContact O-N 3.44Å; A310-I313 PolarHBondContact O-N 3.44Å; I313-Y316 PolarHBondContact O-N 3.23Å; I313-C317 WeakPolarHBondContact O-CB 3.49Å; I313-C317 PolarHBondContact O-N 3.27Å; I313-C317 PolarHBondContact O-SG 3.23Å |
| 314 | N | 83.9 | Confident | 80.8 | Confident | 48 Ų | 48 | 38.9 Ų | 38.9 | 26% | 0.257 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.7 | -42.3 | 176 | -172.7 | 43.6 | 0 | 0 | 0 | 111.9 | F184 A310 G311 Q312 C317 Q318 | F184-N314 HydrophobicContact CD2-CB 4.25Å; F184-N314 HydrophobicContact CE2-CB 4.34Å; A310-N314 PolarHBondContact O-N 2.89Å; G311-N314 PolarHBondContact O-N 2.98Å; Q312-N314 VanDerWaalsContact C-N 3.28Å; Q312-N314 PolarHBondContact O-N 2.98Å; N314-C317 WeakPolarHBondContact O-CB 3.43Å; N314-C317 PolarHBondContact O-N 3.34Å; N314-Q318 WeakPolarHBondContact O-CG 3.05Å; N314-Q318 PolarHBondContact O-N 2.91Å |
| 315 | N | 82.3 | Confident | 81.7 | Confident | 12 Ų | 12 | 41.6 Ų | 41.6 | 6% | 0.064 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.6 | -44.3 | 177 | -160 | -84.2 | 0 | 0 | 0 | 111.7 | F118 Y157 G311 Q312 C317 Q318 N319 | F118-N315 WeakPolarHBondContact CE1-ND2 3Å; F118-N315 WeakPolarHBondContact CE1-OD1 3.28Å; F118-N315 VanDerWaalsContact CZ-ND2 3.32Å; F118-N315 WeakPolarHBondContact CZ-ND2 2.78Å; Y157-N315 PolarHBondContact OH-ND2 2.97Å; G311-N315 PolarHBondContact O-N 3.43Å; Q312-N315 WeakPolarHBondContact O-CB 3.48Å; Q312-N315 PolarHBondContact O-N 3.14Å; Q312-N315 VanDerWaalsContact O-N 3.07Å; N315-C317 VanDerWaalsContact C-N 3.32Å; N315-C317 PolarHBondContact O-N 3.44Å; N315-Q318 PolarHBondContact O-N 3.27Å; N315-N319 WeakPolarHBondContact O-CB 3.47Å; N315-N319 PolarHBondContact O-N 3.3Å; N315-N319 PolarHBondContact O-ND2 2.88Å; N315-N319 PolarHBondContact OD1-ND2 3.05Å |
| 316 | Y | 83 | Confident | 82.2 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.2 | -44.4 | 172.2 | -73.9 | -59.7 | 0 | 0 | 0 | 111.7 | Y115 S117 L235 L236 R239 Q312 I313 Q318 N319 V320 | Y115-Y316 WeakPolarHBondContact O-CE1 3.26Å; S117-Y316 WeakPolarHBondContact CB-OH 3.44Å; L235-Y316 HydrophobicContact CB-CE1 4.14Å; L236-Y316 HydrophobicContact CD1-CD2 4.31Å; L236-Y316 HydrophobicContact CD1-CG 4.44Å; R239-Y316 HydrophobicContact CG-CE2 3.95Å; Q312-Y316 HydrophobicContact CB-CD2 4.5Å; Q312-Y316 HydrophobicContact CB-CE2 4.3Å; Q312-Y316 WeakPolarHBondContact O-CD2 3.46Å; Q312-Y316 PolarHBondContact O-N 2.84Å; I313-Y316 PolarHBondContact O-N 3.23Å; Y316-Q318 PolarHBondContact O-N 3.18Å; Y316-N319 PolarHBondContact O-N 3.48Å; Y316-V320 WeakPolarHBondContact O-CB 3.5Å; Y316-V320 VanDerWaalsContact O-CG2 3.24Å; Y316-V320 WeakPolarHBondContact O-CG2 3.4Å; Y316-V320 PolarHBondContact O-N 2.99Å |
| 317 | C | 84.1 | Confident | 82.5 | Confident | 44 Ų | 44 | 42.3 Ų | 42.3 | 30% | 0.297 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.5 | -42.1 | 178.5 | -71.1 | 0 | 0 | 0 | 0 | 112.3 | I313 N314 N315 K321 | I313-C317 WeakPolarHBondContact O-CB 3.49Å; I313-C317 PolarHBondContact O-N 3.27Å; I313-C317 PolarHBondContact O-SG 3.23Å; N314-C317 WeakPolarHBondContact O-CB 3.43Å; N314-C317 PolarHBondContact O-N 3.34Å; N315-C317 VanDerWaalsContact C-N 3.32Å; N315-C317 PolarHBondContact O-N 3.44Å; C317-K321 WeakPolarHBondContact O-CB 3.49Å; C317-K321 WeakPolarHBondContact O-CD 3.39Å; C317-K321 WeakPolarHBondContact O-CG 2.96Å; C317-K321 PolarHBondContact O-N 3.04Å |
| 318 | Q | 84.2 | Confident | 82.9 | Confident | 75 Ų | 75 | 45.1 Ų | 45.1 | 35% | 0.35 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.9 | -46.9 | 175.4 | -72.9 | 179 | -8 | 0 | 0 | 111.1 | N314 N315 Y316 V320 K321 E322 | N314-Q318 WeakPolarHBondContact O-CG 3.05Å; N314-Q318 PolarHBondContact O-N 2.91Å; N315-Q318 PolarHBondContact O-N 3.27Å; Y316-Q318 PolarHBondContact O-N 3.18Å; Q318-V320 PolarHBondContact O-N 3.29Å; Q318-K321 WeakPolarHBondContact O-CB 3.42Å; Q318-K321 PolarHBondContact O-N 3.01Å; Q318-E322 WeakPolarHBondContact O-CG 3.43Å; Q318-E322 PolarHBondContact O-N 3.39Å |
| 319 | N | 81.6 | Confident | 83.2 | Confident | 13 Ų | 13 | 46.2 Ų | 46.2 | 7% | 0.07 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 178.6 | -66.9 | -23.3 | 0 | 0 | 0 | 112.1 | K146 K155 N315 Y316 E322 F323 | K146-N319 PolarHBondContact NZ-ND2 3.5Å; K146-N319 VanDerWaalsContact NZ-ND2 3.16Å; K146-N319 PolarHBondContact NZ-OD1 3.17Å; K155-N319 PolarHBondContact NZ-OD1 3.14Å; N315-N319 WeakPolarHBondContact O-CB 3.47Å; N315-N319 PolarHBondContact O-N 3.3Å; N315-N319 PolarHBondContact O-ND2 2.88Å; N315-N319 PolarHBondContact OD1-ND2 3.05Å; Y316-N319 PolarHBondContact O-N 3.48Å; N319-E322 PolarHBondContact O-N 3.49Å; N319-F323 VanDerWaalsContact O-CB 3.24Å; N319-F323 WeakPolarHBondContact O-CB 3.22Å; N319-F323 PolarHBondContact O-N 3.23Å |
| 320 | V | 84.1 | Confident | 83.4 | Confident | 31 Ų | 31 | 46 Ų | 46 | 19% | 0.188 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65 | -42 | 176.4 | 171.3 | 0 | 0 | 0 | 0 | 110.5 | L229 Y316 Q318 F323 T324 | L229-V320 HydrophobicContact CD1-CG1 4.1Å; Y316-V320 WeakPolarHBondContact O-CB 3.5Å; Y316-V320 VanDerWaalsContact O-CG2 3.24Å; Y316-V320 WeakPolarHBondContact O-CG2 3.4Å; Y316-V320 PolarHBondContact O-N 2.99Å; Q318-V320 PolarHBondContact O-N 3.29Å; V320-F323 PolarHBondContact O-N 3.37Å; V320-T324 WeakPolarHBondContact O-CB 3.37Å; V320-T324 PolarHBondContact O-N 3.25Å; V320-T324 PolarHBondContact O-OG1 3.1Å |
| 321 | K | 86.1 | Confident | 83.7 | Confident | 144 Ų | 144 | 49.1 Ų | 49.1 | 63% | 0.626 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -60.6 | -47.6 | 175.7 | -75.5 | 169.5 | -174.3 | 176.8 | 0 | 112.1 | C317 Q318 T324 S325 | C317-K321 WeakPolarHBondContact O-CB 3.49Å; C317-K321 WeakPolarHBondContact O-CD 3.39Å; C317-K321 WeakPolarHBondContact O-CG 2.96Å; C317-K321 PolarHBondContact O-N 3.04Å; Q318-K321 WeakPolarHBondContact O-CB 3.42Å; Q318-K321 PolarHBondContact O-N 3.01Å; K321-T324 PolarHBondContact O-N 3.05Å; K321-S325 WeakPolarHBondContact O-CB 2.93Å; K321-S325 PolarHBondContact O-N 3.27Å |
| 322 | E | 83.9 | Confident | 84.1 | Confident | 93 Ų | 93 | 54.3 Ų | 54.3 | 44% | 0.435 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.9 | -48 | 176.4 | -75.1 | 172 | -171.1 | 0 | 0 | 110.8 | Q318 N319 T324 S325 Q326 | Q318-E322 WeakPolarHBondContact O-CG 3.43Å; Q318-E322 PolarHBondContact O-N 3.39Å; N319-E322 PolarHBondContact O-N 3.49Å; E322-T324 PolarHBondContact O-N 2.76Å; E322-S325 PolarHBondContact O-N 2.88Å; E322-Q326 WeakPolarHBondContact O-CG 3.38Å; E322-Q326 PolarHBondContact O-N 3.24Å |
| 323 | F | 82.3 | Confident | 84.3 | Confident | 16 Ų | 16 | 58.9 Ų | 58.9 | 7% | 0.07 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 178.9 | 179 | -97.8 | 0 | 0 | 0 | 112.7 | S225 H228 L229 N319 V320 Q326 N327 | S225-F323 VanDerWaalsContact CB-CZ 3.43Å; H228-F323 HydrophobicContact CB-CE2 4.46Å; H228-F323 HydrophobicContact CB-CZ 4.3Å; H228-F323 AromaticContact CD2-CD2 3.75Å; H228-F323 AromaticContact CD2-CE2 3.54Å; H228-F323 AromaticContact CD2-CZ 3.86Å; L229-F323 HydrophobicContact CB-CE1 3.88Å; L229-F323 HydrophobicContact CD1-CD1 4.2Å; L229-F323 HydrophobicContact CD1-CE1 4.27Å; L229-F323 HydrophobicContact CG-CE1 4.5Å; N319-F323 VanDerWaalsContact O-CB 3.24Å; N319-F323 WeakPolarHBondContact O-CB 3.22Å; N319-F323 PolarHBondContact O-N 3.23Å; V320-F323 PolarHBondContact O-N 3.37Å; F323-Q326 PolarHBondContact O-N 3.29Å; F323-N327 WeakPolarHBondContact CD1-ND2 3.29Å; F323-N327 WeakPolarHBondContact CE1-ND2 3.29Å; F323-N327 WeakPolarHBondContact CE2-ND2 3.34Å; F323-N327 WeakPolarHBondContact CZ-ND2 3.45Å; F323-N327 WeakPolarHBondContact O-CB 3.48Å; F323-N327 PolarHBondContact O-N 2.98Å; F323-N327 PolarHBondContact O-ND2 3.01Å |
| 324 | T | 83.6 | Confident | 84.4 | Confident | 72 Ų | 72 | 58.6 Ų | 58.6 | 44% | 0.442 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63 | -42.1 | 174.4 | -59.5 | 0 | 0 | 0 | 0 | 111.2 | V320 K321 E322 N327 L328 | V320-T324 WeakPolarHBondContact O-CB 3.37Å; V320-T324 PolarHBondContact O-N 3.25Å; V320-T324 PolarHBondContact O-OG1 3.1Å; K321-T324 PolarHBondContact O-N 3.05Å; E322-T324 PolarHBondContact O-N 2.76Å; T324-N327 PolarHBondContact O-N 3.3Å; T324-L328 VanDerWaalsContact O-CB 3.28Å; T324-L328 WeakPolarHBondContact O-CB 2.99Å; T324-L328 PolarHBondContact O-N 2.58Å |
| 325 | S | 85.6 | Confident | 84.6 | Confident | 84 Ų | 84 | 62.1 Ų | 62.1 | 59% | 0.587 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63.1 | -42.8 | 178.1 | -175.8 | 0 | 0 | 0 | 0 | 112 | K321 E322 G329 | K321-S325 WeakPolarHBondContact O-CB 2.93Å; K321-S325 PolarHBondContact O-N 3.27Å; E322-S325 PolarHBondContact O-N 2.88Å; S325-G329 PolarHBondContact O-N 3.16Å; S325-G329 VanDerWaalsContact O-N 3.08Å |
| 326 | Q | 83.5 | Confident | 84.9 | Confident | 82 Ų | 82 | 64.5 Ų | 64.5 | 38% | 0.383 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63 | -48.6 | 176 | -71.4 | 177.8 | 10.3 | 0 | 0 | 111.4 | E322 F323 L328 G329 K330 | E322-Q326 WeakPolarHBondContact O-CG 3.38Å; E322-Q326 PolarHBondContact O-N 3.24Å; F323-Q326 PolarHBondContact O-N 3.29Å; Q326-L328 VanDerWaalsContact C-N 3.34Å; Q326-L328 PolarHBondContact O-N 3.49Å; Q326-G329 PolarHBondContact O-N 3.07Å; Q326-K330 WeakPolarHBondContact O-CG 3.49Å; Q326-K330 PolarHBondContact O-N 2.94Å |
| 327 | N | 83.1 | Confident | 85.1 | Confident | 26 Ų | 26 | 71.1 Ų | 71.1 | 14% | 0.139 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.4 | -36.5 | -180 | -73 | -30.4 | 0 | 0 | 0 | 112.9 | F323 T324 G329 K330 L331 | F323-N327 WeakPolarHBondContact CD1-ND2 3.29Å; F323-N327 WeakPolarHBondContact CE1-ND2 3.29Å; F323-N327 WeakPolarHBondContact CE2-ND2 3.34Å; F323-N327 WeakPolarHBondContact CZ-ND2 3.45Å; F323-N327 WeakPolarHBondContact O-CB 3.48Å; F323-N327 PolarHBondContact O-N 2.98Å; F323-N327 PolarHBondContact O-ND2 3.01Å; T324-N327 PolarHBondContact O-N 3.3Å; N327-G329 VanDerWaalsContact C-N 3.32Å; N327-G329 PolarHBondContact O-N 3.03Å; N327-K330 PolarHBondContact O-N 3.18Å; N327-L331 WeakPolarHBondContact O-CG 3.4Å; N327-L331 PolarHBondContact O-N 3.34Å |
| 328 | L | 85.8 | Confident | 85.1 | Confident | 89 Ų | 89 | 75.7 Ų | 75.7 | 47% | 0.466 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 173.7 | -173.5 | 65.9 | 0 | 0 | 0 | 111 | T324 Q326 K330 L331 F332 | T324-L328 VanDerWaalsContact O-CB 3.28Å; T324-L328 WeakPolarHBondContact O-CB 2.99Å; T324-L328 PolarHBondContact O-N 2.58Å; Q326-L328 VanDerWaalsContact C-N 3.34Å; Q326-L328 PolarHBondContact O-N 3.49Å; L328-K330 PolarHBondContact O-N 3.09Å; L328-L331 PolarHBondContact O-N 2.8Å; L328-F332 HydrophobicContact CD1-CD2 4.23Å; L328-F332 HydrophobicContact CD1-CE2 3.74Å; L328-F332 HydrophobicContact CD1-CZ 4.39Å; L328-F332 HydrophobicContact CD2-CE2 4.02Å; L328-F332 HydrophobicContact CG-CD2 3.91Å; L328-F332 HydrophobicContact CG-CE2 3.59Å; L328-F332 WeakPolarHBondContact O-CD2 3.46Å; L328-F332 PolarHBondContact O-N 3.39Å |
| 329 | G | 85.7 | Confident | 84.6 | Confident | 29 Ų | 29 | 75.2 Ų | 75.2 | 30% | 0.299 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59 | -44.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S325 Q326 N327 L331 F332 M333 | S325-G329 PolarHBondContact O-N 3.16Å; S325-G329 VanDerWaalsContact O-N 3.08Å; Q326-G329 PolarHBondContact O-N 3.07Å; N327-G329 VanDerWaalsContact C-N 3.32Å; N327-G329 PolarHBondContact O-N 3.03Å; G329-L331 PolarHBondContact O-N 3.49Å; G329-F332 PolarHBondContact O-N 3.43Å; G329-M333 WeakPolarHBondContact O-CG 3.46Å; G329-M333 PolarHBondContact O-N 2.83Å |
| 330 | K | 84.8 | Confident | 83.5 | Confident | 17 Ų | 17 | 83.1 Ų | 83.1 | 7% | 0.074 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -61.9 | -41 | 175.5 | -62.3 | 177.2 | -154.6 | -168.8 | 0 | 112.2 | L220 N222 L223 Q326 N327 L328 M333 A334 | L220-K330 WeakPolarHBondContact O-CD 3.44Å; L220-K330 WeakPolarHBondContact O-CE 3.49Å; L220-K330 PolarHBondContact O-NZ 2.91Å; N222-K330 WeakPolarHBondContact O-CD 3.46Å; N222-K330 PolarHBondContact O-NZ 3.44Å; N222-K330 VanDerWaalsContact O-NZ 3.1Å; L223-K330 HydrophobicContact CD2-CB 3.57Å; L223-K330 HydrophobicContact CG-CB 4.41Å; Q326-K330 WeakPolarHBondContact O-CG 3.49Å; Q326-K330 PolarHBondContact O-N 2.94Å; N327-K330 PolarHBondContact O-N 3.18Å; L328-K330 PolarHBondContact O-N 3.09Å; K330-M333 HydrophobicContact CG-CE 4.34Å; K330-M333 PolarHBondContact O-N 3.16Å; K330-A334 WeakPolarHBondContact O-CB 3.17Å; K330-A334 PolarHBondContact O-N 3.02Å |
| 331 | L | 86 | Confident | 81.8 | Confident | 97 Ų | 97 | 91.3 Ų | 91.3 | 51% | 0.508 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 176.9 | -76.6 | 169.2 | 0 | 0 | 0 | 111.8 | L223 N327 L328 G329 M333 A334 E335 | L223-L331 HydrophobicContact CD2-CD2 3.87Å; L223-L331 HydrophobicContact CD2-CG 3.95Å; N327-L331 WeakPolarHBondContact O-CG 3.4Å; N327-L331 PolarHBondContact O-N 3.34Å; L328-L331 PolarHBondContact O-N 2.8Å; G329-L331 PolarHBondContact O-N 3.49Å; L331-M333 VanDerWaalsContact C-N 3.32Å; L331-M333 PolarHBondContact O-N 2.98Å; L331-A334 PolarHBondContact O-N 3.47Å; L331-E335 WeakPolarHBondContact O-CB 3.45Å; L331-E335 PolarHBondContact O-N 2.93Å |
| 332 | F | 86.9 | Confident | 81.6 | Confident | 124 Ų | 124 | 88.7 Ų | 88.7 | 54% | 0.544 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.1 | -38.1 | 175.5 | -79.5 | -59.9 | 0 | 0 | 0 | 112.5 | L328 G329 A334 E335 A336 | L328-F332 HydrophobicContact CD1-CD2 4.23Å; L328-F332 HydrophobicContact CD1-CE2 3.74Å; L328-F332 HydrophobicContact CD1-CZ 4.39Å; L328-F332 HydrophobicContact CD2-CE2 4.02Å; L328-F332 HydrophobicContact CG-CD2 3.91Å; L328-F332 HydrophobicContact CG-CE2 3.59Å; L328-F332 WeakPolarHBondContact O-CD2 3.46Å; L328-F332 PolarHBondContact O-N 3.39Å; G329-F332 PolarHBondContact O-N 3.43Å; F332-A334 VanDerWaalsContact C-N 3.35Å; F332-E335 PolarHBondContact O-N 2.59Å; F332-A336 WeakPolarHBondContact O-CB 3.47Å; F332-A336 PolarHBondContact O-N 2.95Å |
| 333 | M | 86.3 | Confident | 81.5 | Confident | 109 Ų | 109 | 88.4 Ų | 88.4 | 54% | 0.537 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 173.7 | -72.3 | -173.6 | -75.9 | 0 | 0 | 111.7 | L221 G329 K330 L331 A336 L337 | L221-M333 HydrophobicContact CD2-CE 3.97Å; G329-M333 WeakPolarHBondContact O-CG 3.46Å; G329-M333 PolarHBondContact O-N 2.83Å; K330-M333 HydrophobicContact CG-CE 4.34Å; K330-M333 PolarHBondContact O-N 3.16Å; L331-M333 VanDerWaalsContact C-N 3.32Å; L331-M333 PolarHBondContact O-N 2.98Å; M333-A336 PolarHBondContact O-N 3.49Å; M333-L337 WeakPolarHBondContact O-CB 3.42Å; M333-L337 PolarHBondContact O-N 2.81Å |
| 334 | A | 86.2 | Confident | 81.5 | Confident | 23 Ų | 23 | 92.4 Ų | 92.4 | 19% | 0.19 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -67.6 | -40.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | L223 K330 L331 F332 L337 Q338 | L223-A334 HydrophobicContact CD1-CB 4.09Å; K330-A334 WeakPolarHBondContact O-CB 3.17Å; K330-A334 PolarHBondContact O-N 3.02Å; L331-A334 PolarHBondContact O-N 3.47Å; F332-A334 VanDerWaalsContact C-N 3.35Å; A334-L337 WeakPolarHBondContact O-CB 3.44Å; A334-L337 PolarHBondContact O-N 3.38Å; A334-Q338 WeakPolarHBondContact O-CB 3.29Å; A334-Q338 VanDerWaalsContact O-CG 3.29Å; A334-Q338 WeakPolarHBondContact O-CG 3.38Å; A334-Q338 PolarHBondContact O-N 3.19Å |
| 335 | E | 87.6 | Confident | 81.3 | Confident | 122 Ų | 122 | 93.6 Ų | 93.6 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.8 | -45.3 | 174.2 | -175.6 | -179 | -176 | 0 | 0 | 111.1 | L331 F332 L337 Q338 G339 | L331-E335 WeakPolarHBondContact O-CB 3.45Å; L331-E335 PolarHBondContact O-N 2.93Å; F332-E335 PolarHBondContact O-N 2.59Å; E335-L337 VanDerWaalsContact C-N 3.28Å; E335-L337 PolarHBondContact O-N 3.26Å; E335-Q338 PolarHBondContact O-N 2.89Å; E335-G339 PolarHBondContact O-N 3.5Å |
| 336 | A | 88.3 | Confident | 81.1 | Confident | 61 Ų | 61 | 94.3 Ų | 94.3 | 50% | 0.504 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.8 | -36.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F332 M333 H340 | F332-A336 WeakPolarHBondContact O-CB 3.47Å; F332-A336 PolarHBondContact O-N 2.95Å; M333-A336 PolarHBondContact O-N 3.49Å; A336-H340 PolarHBondContact O-CD2 3.23Å |
| 337 | L | 86.8 | Confident | 80.9 | Confident | 142 Ų | 142 | 95.1 Ų | 95.1 | 74% | 0.743 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.9 | -38.6 | 175.5 | -161.5 | 102.7 | 0 | 0 | 0 | 111.9 | M333 A334 E335 | M333-L337 WeakPolarHBondContact O-CB 3.42Å; M333-L337 PolarHBondContact O-N 2.81Å; A334-L337 WeakPolarHBondContact O-CB 3.44Å; A334-L337 PolarHBondContact O-N 3.38Å; E335-L337 VanDerWaalsContact C-N 3.28Å; E335-L337 PolarHBondContact O-N 3.26Å |
| 338 | Q | 84.3 | Confident | 80.8 | Confident | 140 Ų | 140 | 100 Ų | 100 | 65% | 0.654 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -77.1 | -36.3 | -179.9 | -72.8 | 175.2 | 9.1 | 0 | 0 | 112.7 | A334 E335 H340 N341 | A334-Q338 WeakPolarHBondContact O-CB 3.29Å; A334-Q338 VanDerWaalsContact O-CG 3.29Å; A334-Q338 WeakPolarHBondContact O-CG 3.38Å; A334-Q338 PolarHBondContact O-N 3.19Å; E335-Q338 PolarHBondContact O-N 2.89Å; Q338-H340 PolarHBondContact O-N 2.79Å; Q338-N341 PolarHBondContact O-N 3.13Å; Q338-N341 VanDerWaalsContact O-N 3.13Å |
| 339 | G | 74.6 | Confident | 80.4 | Confident | 65 Ų | 65 | 100.8 Ų | 100.8 | 67% | 0.67 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -7.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115 | E335 | E335-G339 PolarHBondContact O-N 3.5Š|
| 340 | H | 58.4 | Low | 79.9 | Confident | 179 Ų | 179 | 106.8 Ų | 106.8 | 83% | 0.829 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -8.1 | 171.3 | -91.8 | -68.8 | 0 | 0 | 0 | 113.9 | A336 Q338 | A336-H340 PolarHBondContact O-CD2 3.23Å; Q338-H340 PolarHBondContact O-N 2.79Å |
| 341 | N | 49 | Very low | 79.5 | Confident | 203 Ų | 203 | 115 Ų | 115 | 100% | 1.086 | 62% | 0.621 | S | S | * | * | trans | -97.3 | 0 | 165.5 | -86.1 | -24.3 | 0 | 0 | 0 | 110 | Q338 | Q338-N341 PolarHBondContact O-N 3.13Å; Q338-N341 VanDerWaalsContact O-N 3.13Å |
Retrieved 341 of 341 residues in 632.5 ms
(Link to these results)