| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.9 | Very low | 36.6 | Very low | 235 Ų | 235 | 145.9 Ų | 145.9 | 100% | 1.158 | 84% | 0.837 | S | S | * | * | 0 | 119.6 | 0 | -136.9 | 165.8 | -174.8 | 0 | 0 | 106.4 | |||||
| 2 | T | 38 | Very low | 36.3 | Very low | 129 Ų | 129 | 150.1 Ų | 150.1 | 79% | 0.791 | 84% | 0.838 | S | S | * | * | trans | 57.5 | 95 | 168.4 | 48.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 3 | L | 36.1 | Very low | 35.8 | Very low | 156 Ų | 156 | 153.6 Ų | 153.6 | 82% | 0.817 | 84% | 0.839 | S | S | * | * | 56.5 | 101.3 | 67.2 | -66.7 | 171.9 | 0 | 0 | 0 | 115.3 | |||||
| 4 | H | 42.6 | Very low | 35.2 | Very low | 189 Ų | 189 | 157.1 Ų | 157.1 | 88% | 0.875 | 84% | 0.842 | S | S | * | * | -160 | 118.1 | 125.2 | -119.7 | 61.6 | 0 | 0 | 0 | 112.8 | |||||
| 5 | N | 37.6 | Very low | 34.9 | Very low | 159 Ų | 159 | 154.9 Ų | 154.9 | 85% | 0.85 | 84% | 0.837 | S | S | * | * | trans | -71.6 | 151.8 | 164.2 | -79.5 | -22.8 | 0 | 0 | 0 | 110 | ||||
| 6 | G | 34.4 | Very low | 34.9 | Very low | 75 Ų | 75 | 152.6 Ų | 152.6 | 77% | 0.773 | 83% | 0.832 | S | S | * | * | trans | -173.1 | 95.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 7 | A | 35.6 | Very low | 35.1 | Very low | 100 Ų | 100 | 147.6 Ų | 147.6 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | trans | 61.1 | 102.2 | 147.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 8 | D | 36.2 | Very low | 36.3 | Very low | 154 Ų | 154 | 146.2 Ų | 146.2 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | -156 | 77.8 | 130.3 | -134.4 | -9.3 | 0 | 0 | 0 | 111.4 | S10 | D8-S10 VanDerWaalsContact C-N 3.34Å; D8-S10 PolarHBondContact O-N 3.19Å | ||
| 9 | E | 32.2 | Very low | 37.8 | Very low | 192 Ų | 192 | 142.6 Ų | 142.6 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | -81.7 | 79.9 | 163.3 | -85.8 | -168.1 | 145.7 | 0 | 0 | 109.2 | V11 | E9-V11 PolarHBondContact O-N 3.25Š| ||
| 10 | S | 38.7 | Very low | 39.9 | Very low | 89 Ų | 89 | 143.5 Ų | 143.5 | 62% | 0.622 | 79% | 0.788 | S | S | * | * | trans | -89.5 | 96.9 | 164.7 | 68.1 | 0 | 0 | 0 | 0 | 109.5 | D8 K12 | D8-S10 VanDerWaalsContact C-N 3.34Å; D8-S10 PolarHBondContact O-N 3.19Å; S10-K12 PolarHBondContact O-N 3.46Å | ||
| 11 | V | 32.5 | Very low | 42.1 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | trans | -54 | 99.5 | 170.8 | 176.3 | 0 | 0 | 0 | 0 | 110.1 | E9 K13 | E9-V11 PolarHBondContact O-N 3.25Å; V11-K13 PolarHBondContact O-N 3.1Å | ||
| 12 | K | 32.7 | Very low | 44.4 | Very low | 196 Ų | 196 | 132.6 Ų | 132.6 | 85% | 0.852 | 73% | 0.727 | S | S | * | * | trans | -66.5 | 96.4 | 165.7 | -79 | -178.3 | 176.9 | 177.1 | 0 | 108.8 | S10 K14 | S10-K12 PolarHBondContact O-N 3.46Å; K12-K14 PolarHBondContact O-N 3.29Å | ||
| 13 | K | 29.4 | Very low | 46.9 | Very low | 196 Ų | 196 | 128.8 Ų | 128.8 | 85% | 0.852 | 70% | 0.699 | S | S | * | * | trans | -53.3 | 107.7 | 163 | -85.7 | 178.9 | 173.8 | 175.6 | 0 | 108.6 | V11 T15 | V11-K13 PolarHBondContact O-N 3.1Å; K13-T15 PolarHBondContact O-N 3.12Å; K13-T15 VanDerWaalsContact O-N 3.15Å | ||
| 14 | K | 28.2 | Very low | 49.7 | Very low | 202 Ų | 202 | 121.3 Ų | 121.3 | 88% | 0.878 | 66% | 0.66 | S | S | * | * | trans | -61.9 | 109.6 | 168.4 | -77.9 | 179 | 174.5 | 177.9 | 0 | 108.5 | K12 | K12-K14 PolarHBondContact O-N 3.29Š| ||
| 15 | T | 30.5 | Very low | 52.1 | Low | 125 Ų | 125 | 112.7 Ų | 112.7 | 77% | 0.767 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 131 | 160.8 | -41.5 | 0 | 0 | 0 | 0 | 107.7 | K13 G17 | K13-T15 PolarHBondContact O-N 3.12Å; K13-T15 VanDerWaalsContact O-N 3.15Å; T15-G17 PolarHBondContact O-N 3.39Å |
| 16 | P | 34.8 | Very low | 54.8 | Low | 117 Ų | 117 | 105.2 Ų | 105.2 | 76% | 0.76 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 118 | 179.8 | 24.3 | -31.8 | 0 | 0 | 0 | 107.9 | Q18 | P16-Q18 PolarHBondContact O-N 3.3Š|
| 17 | G | 37.8 | Very low | 57.6 | Low | 69 Ų | 69 | 102.2 Ų | 102.2 | 71% | 0.711 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -55 | 126 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110 | T15 T19 | T15-G17 PolarHBondContact O-N 3.39Å; G17-T19 PolarHBondContact O-N 3.11Å |
| 18 | Q | 57 | Low | 60.2 | Low | 122 Ų | 122 | 98.9 Ų | 98.9 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | trans | -53.9 | 112.2 | 173.3 | -81.4 | 175 | -40.9 | 0 | 0 | 108.5 | P16 K20 P133 N134 | P16-Q18 PolarHBondContact O-N 3.3Å; Q18-K20 PolarHBondContact O-N 2.96Å; Q18-K20 VanDerWaalsContact O-N 3.12Å; Q18-P133 PolarHBondContact NE2-O 3.14Å; Q18-N134 WeakPolarHBondContact CG-OD1 3.35Å; Q18-N134 PolarHBondContact NE2-OD1 2.82Å; Q18-N134 VanDerWaalsContact NE2-OD1 3.17Å | ||
| 19 | T | 64.7 | Low | 62.9 | Low | 77 Ų | 77 | 95.6 Ų | 95.6 | 47% | 0.472 | 50% | 0.498 | S | S | . | . | trans | -64.1 | 113.3 | 172.1 | 30.4 | 0 | 0 | 0 | 0 | 108.1 | G17 I21 N134 | G17-T19 PolarHBondContact O-N 3.11Å; T19-I21 PolarHBondContact O-N 3.29Å; T19-N134 PolarHBondContact O-ND2 3.02Å | ||
| 20 | K | 79.8 | Confident | 65.8 | Low | 160 Ų | 160 | 86.5 Ų | 86.5 | 70% | 0.696 | 46% | 0.456 | S | S | * | . | trans | -65.9 | 118.8 | 177.3 | -173 | 172.9 | -177.7 | 174.6 | 0 | 109.1 | Q18 | Q18-K20 PolarHBondContact O-N 2.96Å; Q18-K20 VanDerWaalsContact O-N 3.12Å | ||
| 21 | I | 85.6 | Confident | 68.3 | Low | 3 Ų | 3 | 83.7 Ų | 83.7 | 2% | 0.015 | 43% | 0.434 | C | S | . | . | trans | -70.8 | 128.7 | 174.4 | -57.6 | 169.8 | 0 | 0 | 0 | 107.5 | T19 V24 L59 L64 N134 V136 L175 | T19-I21 PolarHBondContact O-N 3.29Å; I21-V24 HydrophobicContact CG2-CG2 4.19Å; I21-L59 HydrophobicContact CD1-CD1 4.47Å; I21-L59 HydrophobicContact CG1-CD1 3.98Å; I21-L64 HydrophobicContact CD1-CB 4.42Å; I21-L64 HydrophobicContact CD1-CD2 4.35Å; I21-L64 HydrophobicContact CG2-CB 3.83Å; I21-N134 HydrophobicContact CD1-CB 4.07Å; I21-V136 HydrophobicContact CD1-CG2 3.57Å; I21-L175 HydrophobicContact CB-CD1 4.37Å; I21-L175 HydrophobicContact CG2-CD1 4.09Å; I21-L175 WeakPolarHBondContact O-CD2 3.26Å | ||
| 22 | K | 87.8 | Confident | 71.1 | Confident | 147 Ų | 147 | 83 Ų | 83 | 64% | 0.639 | 43% | 0.425 | S | S | * | . | trans | -106 | -29.2 | 179.2 | -69.2 | -175.6 | 177.9 | -178.1 | 0 | 112.7 | S62 | K22-S62 PolarHBondContact N-O 3.02Š| ||
| 23 | K | 91.6 | Very high | 73.9 | Confident | 49 Ų | 49 | 75 Ų | 75 | 21% | 0.213 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 140 | -172.8 | -176.5 | -175.9 | 177.1 | -175.4 | 0 | 109.3 | V25 I63 L64 R176 E178 | K23-V25 HydrophobicContact CD-CG2 4.33Å; K23-V25 HydrophobicContact CG-CG2 4.46Å; K23-I63 HydrophobicContact CB-CG1 4.41Å; K23-I63 HydrophobicContact CD-CG2 4.48Å; K23-I63 WeakPolarHBondContact O-CA 3.44Å; K23-L64 PolarHBondContact O-N 3.39Å; K23-R176 WeakPolarHBondContact CA-O 3.45Å; K23-E178 WeakPolarHBondContact CE-OE1 3.44Å; K23-E178 WeakPolarHBondContact CE-OE2 3.5Å; K23-E178 IonicContact NZ-OE1 3Å; K23-E178 IonicContact NZ-OE2 3.18Å; K23-E178 PolarHBondContact NZ-OE2 3.31Å |
| 24 | V | 93.2 | Very high | 76.8 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 125.1 | 173.9 | -176.5 | 0 | 0 | 0 | 0 | 108 | I21 V26 L64 V66 V136 V138 A154 L175 R176 S177 E178 | I21-V24 HydrophobicContact CG2-CG2 4.19Å; V24-V26 HydrophobicContact CG1-CG2 4.06Å; V24-L64 WeakPolarHBondContact CA-O 3.49Å; V24-L64 HydrophobicContact CG1-CD2 4.32Å; V24-L64 HydrophobicContact CG2-CB 4.4Å; V24-L64 HydrophobicContact CG2-CD2 4.43Å; V24-V66 HydrophobicContact CG1-CG2 3.98Å; V24-V136 HydrophobicContact CG2-CG1 3.99Å; V24-V138 HydrophobicContact CG1-CG2 4.39Å; V24-A154 HydrophobicContact CB-CB 3.89Å; V24-A154 HydrophobicContact CG1-CB 4.29Å; V24-A154 HydrophobicContact CG2-CB 3.78Å; V24-L175 HydrophobicContact CG2-CB 4.26Å; V24-L175 HydrophobicContact CG2-CD1 3.95Å; V24-R176 PolarHBondContact N-O 2.8Å; V24-S177 WeakPolarHBondContact O-CA 3.37Å; V24-E178 PolarHBondContact O-N 3.42Å |
| 25 | V | 94.1 | Very high | 79.7 | Confident | 8 Ų | 8 | 59.3 Ų | 59.3 | 5% | 0.048 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 122.2 | 175.6 | 174.9 | 0 | 0 | 0 | 0 | 107.4 | K23 I63 L64 V66 E178 D180 | K23-V25 HydrophobicContact CD-CG2 4.33Å; K23-V25 HydrophobicContact CG-CG2 4.46Å; V25-I63 HydrophobicContact CG2-CG2 3.71Å; V25-L64 PolarHBondContact N-O 2.93Å; V25-V66 WeakPolarHBondContact O-CB 3.39Å; V25-V66 PolarHBondContact O-N 3.1Å; V25-E178 WeakPolarHBondContact CA-O 3.35Å; V25-D180 HydrophobicContact CG1-CB 3.32Å |
| 26 | V | 93.4 | Very high | 82.5 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 124.4 | -178.7 | -175.6 | 0 | 0 | 0 | 0 | 109.2 | V24 V30 L31 V138 E178 V179 D180 | V24-V26 HydrophobicContact CG1-CG2 4.06Å; V26-V30 HydrophobicContact CG1-CB 3.94Å; V26-V30 HydrophobicContact CG1-CG1 4.03Å; V26-L31 HydrophobicContact CG1-CD2 3.91Å; V26-L31 HydrophobicContact CG1-CG 4.31Å; V26-V138 HydrophobicContact CG2-CG1 4.42Å; V26-E178 PolarHBondContact N-O 3Å; V26-V179 VanDerWaalsContact O-CA 3.31Å; V26-V179 WeakPolarHBondContact O-CA 3.29Å; V26-V179 WeakPolarHBondContact O-CG1 3.32Å; V26-D180 PolarHBondContact O-N 2.78Å |
| 27 | H | 93.2 | Very high | 85.2 | Confident | 13 Ų | 13 | 52.6 Ų | 52.6 | 6% | 0.06 | 29% | 0.289 | C | S | . | . | trans | -74.5 | 143.3 | 177.3 | -75.1 | -135.3 | 0 | 0 | 0 | 111.5 | L29 V30 D65 V66 D180 E185 | H27-L29 PolarHBondContact O-N 3.06Å; H27-L29 VanDerWaalsContact O-N 3.15Å; H27-V30 WeakPolarHBondContact O-CB 3.33Å; H27-V30 PolarHBondContact O-N 3.36Å; H27-D65 IonicContact CD2-OD1 3.92Å; H27-D65 PolarHBondContact CD2-OD1 3.44Å; H27-D65 VanDerWaalsContact CD2-OD1 3.23Å; H27-D65 IonicContact CE1-OD1 3.91Å; H27-D65 IonicContact NE2-OD1 3.5Å; H27-D65 PolarHBondContact NE2-OD1 2.96Å; H27-D65 IonicContact NE2-OD2 2.76Å; H27-V66 WeakPolarHBondContact CB-O 3.4Å; H27-V66 PolarHBondContact CD2-O 3.39Å; H27-V66 PolarHBondContact N-O 3.15Å; H27-V66 VanDerWaalsContact N-O 3.1Å; H27-D180 WeakPolarHBondContact CA-O 3.28Å; H27-E185 IonicContact ND1-OE1 3.07Å; H27-E185 IonicContact ND1-OE2 2.59Å | ||
| 28 | P | 91.9 | Very high | 87.5 | Confident | 30 Ų | 30 | 50.7 Ų | 50.7 | 20% | 0.195 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -52.5 | -32.9 | 176.4 | -28.8 | 33.5 | 0 | 0 | 0 | 114.2 | V30 L31 L32 V179 D180 A181 E185 V189 | P28-V30 VanDerWaalsContact C-N 3.25Å; P28-V30 PolarHBondContact O-N 3.17Å; P28-L31 PolarHBondContact O-N 3.05Å; P28-L31 VanDerWaalsContact O-N 3.13Å; P28-L32 PolarHBondContact O-N 2.89Å; P28-V179 HydrophobicContact CG-CG1 4.1Å; P28-D180 WeakPolarHBondContact CD-O 3.49Å; P28-A181 HydrophobicContact CG-CB 4.02Å; P28-E185 WeakPolarHBondContact CD-OE2 3.5Å; P28-V189 HydrophobicContact CB-CG2 3.98Å; P28-V189 HydrophobicContact CG-CG2 4.27Å |
| 29 | L | 92.4 | Very high | 89 | Confident | 84 Ų | 84 | 47.7 Ų | 47.7 | 44% | 0.44 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57.2 | -38.6 | 176.2 | -175 | 69.6 | 0 | 0 | 0 | 112.7 | H27 L32 G33 E185 | H27-L29 PolarHBondContact O-N 3.06Å; H27-L29 VanDerWaalsContact O-N 3.15Å; L29-L32 PolarHBondContact O-N 3.4Å; L29-G33 PolarHBondContact O-N 3.31Å; L29-E185 WeakPolarHBondContact CB-OE1 3.37Å; L29-E185 PolarHBondContact N-OE2 3.15Å |
| 30 | V | 92.5 | Very high | 90 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.6 | -45 | 177.3 | 176.8 | 0 | 0 | 0 | 0 | 110.1 | V26 H27 P28 L32 G33 V34 L55 V66 | V26-V30 HydrophobicContact CG1-CB 3.94Å; V26-V30 HydrophobicContact CG1-CG1 4.03Å; H27-V30 WeakPolarHBondContact O-CB 3.33Å; H27-V30 PolarHBondContact O-N 3.36Å; P28-V30 VanDerWaalsContact C-N 3.25Å; P28-V30 PolarHBondContact O-N 3.17Å; V30-L32 PolarHBondContact O-N 2.95Å; V30-G33 WeakPolarHBondContact O-CA 3.47Å; V30-G33 PolarHBondContact O-N 3.47Å; V30-G33 VanDerWaalsContact O-N 3.15Å; V30-V34 HydrophobicContact CG1-CG2 4.49Å; V30-V34 WeakPolarHBondContact O-CG2 3.28Å; V30-V34 PolarHBondContact O-N 3.31Å; V30-L55 HydrophobicContact CG1-CD2 3.87Å; V30-V66 HydrophobicContact CG1-CG1 4.42Å; V30-V66 HydrophobicContact CG2-CG1 3.93Å |
| 31 | L | 91.5 | Very high | 90.1 | Very high | 29 Ų | 29 | 44.6 Ų | 44.6 | 15% | 0.152 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.2 | -45.4 | 179.7 | -55.6 | -177.1 | 0 | 0 | 0 | 111.4 | V26 P28 G33 V34 V35 V140 T152 V179 | V26-L31 HydrophobicContact CG1-CD2 3.91Å; V26-L31 HydrophobicContact CG1-CG 4.31Å; P28-L31 PolarHBondContact O-N 3.05Å; P28-L31 VanDerWaalsContact O-N 3.13Å; L31-G33 VanDerWaalsContact C-N 3.29Å; L31-G33 PolarHBondContact O-N 2.96Å; L31-V34 PolarHBondContact O-N 2.84Å; L31-V35 WeakPolarHBondContact O-CG2 3.35Å; L31-V35 PolarHBondContact O-N 2.98Å; L31-V140 HydrophobicContact CD2-CG1 4.13Å; L31-V140 HydrophobicContact CD2-CG2 4.14Å; L31-T152 HydrophobicContact CD1-CG2 4.2Å; L31-T152 HydrophobicContact CD2-CG2 3.3Å; L31-T152 HydrophobicContact CG-CG2 4.37Å; L31-V179 HydrophobicContact CD1-CG1 4.28Å; L31-V179 HydrophobicContact CD1-CG2 4.03Å |
| 32 | L | 90.3 | Very high | 89.6 | Confident | 112 Ų | 112 | 46.3 Ų | 46.3 | 59% | 0.586 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -61 | -40.7 | 175 | -173.5 | 64.1 | 0 | 0 | 0 | 111.3 | P28 L29 V30 V35 D36 | P28-L32 PolarHBondContact O-N 2.89Å; L29-L32 PolarHBondContact O-N 3.4Å; V30-L32 PolarHBondContact O-N 2.95Å; L32-V35 PolarHBondContact O-N 3.4Å; L32-D36 PolarHBondContact O-N 3.05Å |
| 33 | G | 91.7 | Very high | 88.9 | Confident | 28 Ų | 28 | 47.6 Ų | 47.6 | 29% | 0.289 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L29 V30 L31 H37 | L29-G33 PolarHBondContact O-N 3.31Å; V30-G33 WeakPolarHBondContact O-CA 3.47Å; V30-G33 PolarHBondContact O-N 3.47Å; V30-G33 VanDerWaalsContact O-N 3.15Å; L31-G33 VanDerWaalsContact C-N 3.29Å; L31-G33 PolarHBondContact O-N 2.96Å; G33-H37 VanDerWaalsContact O-CB 3.28Å; G33-H37 WeakPolarHBondContact O-CB 3.26Å; G33-H37 PolarHBondContact O-N 3.31Å |
| 34 | V | 90.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 175.9 | -178.8 | 0 | 0 | 0 | 0 | 111.3 | V30 L31 H37 Y38 Y111 V140 V142 | V30-V34 HydrophobicContact CG1-CG2 4.49Å; V30-V34 WeakPolarHBondContact O-CG2 3.28Å; V30-V34 PolarHBondContact O-N 3.31Å; L31-V34 PolarHBondContact O-N 2.84Å; V34-H37 PolarHBondContact O-N 3.48Å; V34-Y38 WeakPolarHBondContact O-CB 3.31Å; V34-Y38 PolarHBondContact O-N 2.92Å; V34-Y111 HydrophobicContact CB-CD2 4.33Å; V34-Y111 HydrophobicContact CB-CE2 4.06Å; V34-Y111 HydrophobicContact CG1-CD2 3.91Å; V34-Y111 HydrophobicContact CG1-CE2 3.76Å; V34-Y111 HydrophobicContact CG2-CD1 4.35Å; V34-Y111 HydrophobicContact CG2-CD2 3.48Å; V34-Y111 VanDerWaalsContact CG2-CD2 3.48Å; V34-Y111 HydrophobicContact CG2-CE1 4.27Å; V34-Y111 HydrophobicContact CG2-CE2 3.42Å; V34-Y111 VanDerWaalsContact CG2-CE2 3.42Å; V34-Y111 HydrophobicContact CG2-CG 3.96Å; V34-V140 HydrophobicContact CB-CG1 4.38Å; V34-V140 HydrophobicContact CG1-CB 4.07Å; V34-V140 HydrophobicContact CG1-CG1 4.2Å; V34-V140 HydrophobicContact CG2-CG2 4.25Å; V34-V142 HydrophobicContact CG1-CG2 4.24Å |
| 35 | V | 88.6 | Confident | 86.2 | Confident | 69 Ų | 69 | 53.6 Ų | 53.6 | 42% | 0.418 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 178.1 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | L31 L32 Y38 S39 V142 | L31-V35 WeakPolarHBondContact O-CG2 3.35Å; L31-V35 PolarHBondContact O-N 2.98Å; L32-V35 PolarHBondContact O-N 3.4Å; V35-Y38 PolarHBondContact O-N 2.95Å; V35-S39 WeakPolarHBondContact O-CB 3.28Å; V35-S39 PolarHBondContact O-N 2.93Å; V35-V142 HydrophobicContact CG2-CG1 4.28Å |
| 36 | D | 90.3 | Very high | 84.5 | Confident | 89 Ų | 89 | 60.1 Ų | 60.1 | 48% | 0.476 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 173.9 | 178.9 | 70.5 | 0 | 0 | 0 | 111.4 | L32 Y38 S39 R40 | L32-D36 PolarHBondContact O-N 3.05Å; D36-Y38 VanDerWaalsContact C-N 3.33Å; D36-Y38 PolarHBondContact O-N 3.23Å; D36-S39 WeakPolarHBondContact O-CB 3.47Å; D36-S39 PolarHBondContact O-N 3.32Å; D36-S39 VanDerWaalsContact O-N 3.16Å; D36-R40 WeakPolarHBondContact O-CG 3.48Å; D36-R40 PolarHBondContact O-N 3.09Å; D36-R40 WeakPolarHBondContact OD2-CD 3.34Å |
| 37 | H | 90.3 | Very high | 83 | Confident | 13 Ų | 13 | 61.7 Ų | 61.7 | 6% | 0.06 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.9 | -46.3 | 176.7 | -178.1 | -166.6 | 0 | 0 | 0 | 111.4 | G33 V34 S39 R40 S41 V52 A71 Y111 | G33-H37 VanDerWaalsContact O-CB 3.28Å; G33-H37 WeakPolarHBondContact O-CB 3.26Å; G33-H37 PolarHBondContact O-N 3.31Å; V34-H37 PolarHBondContact O-N 3.48Å; H37-S39 VanDerWaalsContact C-N 3.34Å; H37-S39 PolarHBondContact O-N 2.82Å; H37-R40 PolarHBondContact O-N 3.11Å; H37-S41 PolarHBondContact CD2-OG 2.91Å; H37-S41 WeakPolarHBondContact O-CB 3.46Å; H37-S41 PolarHBondContact O-N 3.36Å; H37-S41 PolarHBondContact O-OG 3.2Å; H37-S41 VanDerWaalsContact O-OG 3.13Å; H37-V52 PolarHBondContact CE1-O 3.45Å; H37-A71 HydrophobicContact CB-CB 4.44Å; H37-A71 WeakPolarHBondContact CE1-CB 3.45Å; H37-A71 WeakPolarHBondContact ND1-CB 3.44Å; H37-A71 WeakPolarHBondContact NE2-CB 3.5Å; H37-Y111 AromaticContact ND1-CZ 3.96Å; H37-Y111 PolarHBondContact ND1-OH 3.07Å |
| 38 | Y | 87.6 | Confident | 81.7 | Confident | 28 Ų | 28 | 67.1 Ų | 67.1 | 11% | 0.11 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.8 | -43.4 | 176.3 | -171.4 | -101.4 | 0 | 0 | 0 | 112.3 | V34 V35 D36 S41 G42 V51 V142 R143 | V34-Y38 WeakPolarHBondContact O-CB 3.31Å; V34-Y38 PolarHBondContact O-N 2.92Å; V35-Y38 PolarHBondContact O-N 2.95Å; D36-Y38 VanDerWaalsContact C-N 3.33Å; D36-Y38 PolarHBondContact O-N 3.23Å; Y38-S41 PolarHBondContact O-N 3.29Å; Y38-G42 PolarHBondContact O-N 2.95Å; Y38-V51 HydrophobicContact CD2-CG2 4.26Å; Y38-V142 HydrophobicContact CD1-CB 4.16Å; Y38-V142 HydrophobicContact CD1-CG1 3.51Å; Y38-V142 HydrophobicContact CD2-CG2 4.36Å; Y38-V142 HydrophobicContact CE1-CB 4.48Å; Y38-V142 HydrophobicContact CE1-CG1 4.1Å; Y38-V142 HydrophobicContact CG-CB 4.2Å; Y38-V142 HydrophobicContact CG-CG1 3.84Å; Y38-V142 HydrophobicContact CG-CG2 4.11Å; Y38-R143 PolarHBondContact OH-NE 3.04Å; Y38-R143 VanDerWaalsContact OH-NE 3.08Å; Y38-R143 PolarHBondContact OH-NH2 2.96Å |
| 39 | S | 87.3 | Confident | 80.9 | Confident | 59 Ų | 59 | 69.5 Ų | 69.5 | 41% | 0.413 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 177.7 | -176.5 | 0 | 0 | 0 | 0 | 112.6 | V35 D36 H37 K43 | V35-S39 WeakPolarHBondContact O-CB 3.28Å; V35-S39 PolarHBondContact O-N 2.93Å; D36-S39 WeakPolarHBondContact O-CB 3.47Å; D36-S39 PolarHBondContact O-N 3.32Å; D36-S39 VanDerWaalsContact O-N 3.16Å; H37-S39 VanDerWaalsContact C-N 3.34Å; H37-S39 PolarHBondContact O-N 2.82Å; S39-K43 PolarHBondContact O-N 3.31Å |
| 40 | R | 86.4 | Confident | 80.6 | Confident | 136 Ų | 136 | 67 Ų | 67 | 51% | 0.513 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65 | -45.8 | 176.7 | -74.2 | 179.6 | 54.9 | -102.9 | -8 | 111.8 | D36 H37 K43 | D36-R40 WeakPolarHBondContact O-CG 3.48Å; D36-R40 PolarHBondContact O-N 3.09Å; D36-R40 WeakPolarHBondContact OD2-CD 3.34Å; H37-R40 PolarHBondContact O-N 3.11Å; R40-K43 PolarHBondContact O-N 3.43Å |
| 41 | S | 82 | Confident | 80.4 | Confident | 36 Ų | 36 | 67.3 Ų | 67.3 | 25% | 0.252 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.5 | -36.4 | -179.9 | -62.7 | 0 | 0 | 0 | 0 | 112.2 | H37 Y38 K43 V44 T45 V51 | H37-S41 PolarHBondContact CD2-OG 2.91Å; H37-S41 WeakPolarHBondContact O-CB 3.46Å; H37-S41 PolarHBondContact O-N 3.36Å; H37-S41 PolarHBondContact O-OG 3.2Å; H37-S41 VanDerWaalsContact O-OG 3.13Å; Y38-S41 PolarHBondContact O-N 3.29Å; S41-K43 PolarHBondContact O-N 2.97Å; S41-V44 PolarHBondContact O-N 3.33Å; S41-T45 PolarHBondContact O-N 2.86Å; S41-T45 VanDerWaalsContact O-N 3.07Å; S41-V51 WeakPolarHBondContact OG-CG1 3.28Å |
| 42 | G | 74.4 | Confident | 80.5 | Confident | 39 Ų | 39 | 65.9 Ų | 65.9 | 40% | 0.402 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.6 | -19.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y38 | Y38-G42 PolarHBondContact O-N 2.95Å |
| 43 | K | 73.6 | Confident | 80.6 | Confident | 174 Ų | 174 | 60.6 Ų | 60.6 | 76% | 0.757 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -80.9 | -30.1 | 173.6 | -70.1 | 174.7 | -176.6 | 175.3 | 0 | 112.9 | S39 R40 S41 | S39-K43 PolarHBondContact O-N 3.31Å; R40-K43 PolarHBondContact O-N 3.43Å; S41-K43 PolarHBondContact O-N 2.97Å |
| 44 | V | 66 | Low | 80.8 | Confident | 124 Ų | 124 | 59.2 Ų | 59.2 | 75% | 0.752 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -86.4 | -40.1 | -175.1 | 179.3 | 0 | 0 | 0 | 0 | 110.8 | S41 | S41-V44 PolarHBondContact O-N 3.33Å |
| 45 | T | 62.7 | Low | 80.9 | Confident | 52 Ų | 52 | 59.3 Ų | 59.3 | 32% | 0.319 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -102.9 | 121.8 | -178.3 | -51.9 | 0 | 0 | 0 | 0 | 109.1 | S41 G47 K49 | S41-T45 PolarHBondContact O-N 2.86Å; S41-T45 VanDerWaalsContact O-N 3.07Å; T45-G47 PolarHBondContact O-N 3.22Å; T45-K49 HydrophobicContact CG2-CD 3.96Å; T45-K49 HydrophobicContact CG2-CG 4.07Å |
| 46 | S | 57.1 | Low | 81.2 | Confident | 144 Ų | 144 | 56 Ų | 56 | 100% | 1.007 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -64.6 | 19.4 | 175.4 | -54.7 | 0 | 0 | 0 | 0 | 114.5 | ||
| 47 | G | 61.9 | Low | 81.3 | Confident | 34 Ų | 34 | 51.8 Ų | 51.8 | 35% | 0.351 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -145.2 | 136.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | T45 K49 | T45-G47 PolarHBondContact O-N 3.22Å; G47-K49 PolarHBondContact O-N 2.98Å |
| 48 | Q | 65.6 | Low | 81.4 | Confident | 127 Ų | 127 | 53 Ų | 53 | 59% | 0.593 | 30% | 0.298 | S | S | * | . | trans | -72.9 | 78.9 | 177.8 | -68.3 | -177.6 | -49.8 | 0 | 0 | 110.1 | R143 | Q48-R143 VanDerWaalsContact OE1-CZ 3.24Š| ||
| 49 | K | 76.6 | Confident | 81.5 | Confident | 80 Ų | 80 | 55 Ų | 55 | 35% | 0.348 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -76 | 155.5 | 177.6 | -66 | -166.7 | 178.3 | -165.5 | 0 | 111.3 | T45 G47 E76 | T45-K49 HydrophobicContact CG2-CD 3.96Å; T45-K49 HydrophobicContact CG2-CG 4.07Å; G47-K49 PolarHBondContact O-N 2.98Å; K49-E76 PolarHBondContact NZ-O 3.27Å; K49-E76 VanDerWaalsContact NZ-O 3.17Å |
| 50 | R | 85.4 | Confident | 81.5 | Confident | 33 Ų | 33 | 57.1 Ų | 57.1 | 13% | 0.125 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 137.4 | 171.6 | 74.4 | -179.7 | -165.9 | -139 | -9.7 | 109.6 | F74 E76 S113 C118 | R50-F74 HydrophobicContact CG-CD1 4.45Å; R50-F74 HydrophobicContact CG-CE1 3.98Å; R50-E76 IonicContact CZ-OE1 3.11Å; R50-E76 IonicContact CZ-OE2 3.49Å; R50-E76 IonicContact NE-OE2 3.74Å; R50-E76 PolarHBondContact NE-OE2 3.33Å; R50-E76 IonicContact NH1-OE1 2.66Å; R50-E76 PolarHBondContact NH1-OE1 2.97Å; R50-E76 IonicContact NH1-OE2 2.63Å; R50-E76 PolarHBondContact NH1-OE2 3.09Å; R50-E76 IonicContact NH2-OE1 3.67Å; R50-E76 PolarHBondContact NH2-OE1 3.32Å; R50-E76 IonicContact NH2-OE2 3.59Å; R50-E76 PolarHBondContact NH2-OE2 3.19Å; R50-S113 WeakPolarHBondContact CA-OG 3.48Å; R50-C118 PolarHBondContact NH1-SG 3.23Å; R50-C118 VanDerWaalsContact NH1-SG 3.43Å |
| 51 | V | 88.8 | Confident | 81.5 | Confident | 7 Ų | 7 | 53.2 Ų | 53.2 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -103.3 | 142.3 | 173.4 | -62.3 | 0 | 0 | 0 | 0 | 109.7 | Y38 S41 H112 S113 | Y38-V51 HydrophobicContact CD2-CG2 4.26Å; S41-V51 WeakPolarHBondContact OG-CG1 3.28Å; V51-H112 CarbonylContact O-C 3.55Å; V51-H112 WeakPolarHBondContact O-CA 3.29Å; V51-S113 WeakPolarHBondContact CG2-OG 3.43Å; V51-S113 PolarHBondContact N-OG 2.92Å; V51-S113 PolarHBondContact O-N 3.06Å |
| 52 | V | 92.4 | Very high | 81.8 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 141.4 | 176.7 | 175.5 | 0 | 0 | 0 | 0 | 108.5 | H37 V72 F74 W110 Y111 H112 F128 | H37-V52 PolarHBondContact CE1-O 3.45Å; V52-V72 PolarHBondContact O-N 2.94Å; V52-F74 HydrophobicContact CB-CB 3.85Å; V52-F74 HydrophobicContact CB-CD1 4.09Å; V52-F74 HydrophobicContact CB-CD2 4.05Å; V52-F74 HydrophobicContact CB-CG 3.69Å; V52-F74 HydrophobicContact CG2-CB 4.28Å; V52-F74 HydrophobicContact CG2-CD1 3.54Å; V52-F74 HydrophobicContact CG2-CD2 3.92Å; V52-F74 HydrophobicContact CG2-CE1 3.85Å; V52-F74 HydrophobicContact CG2-CE2 4.18Å; V52-F74 HydrophobicContact CG2-CG 3.6Å; V52-F74 HydrophobicContact CG2-CZ 4.17Å; V52-W110 HydrophobicContact CG1-CE3 3.86Å; V52-W110 HydrophobicContact CG1-CZ3 4.3Å; V52-Y111 WeakPolarHBondContact CA-O 3.37Å; V52-H112 HydrophobicContact CG2-CB 4.01Å; V52-F128 HydrophobicContact CG1-CE2 4.49Å |
| 53 | G | 93.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 173.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F70 W110 Y111 | G53-F70 CarbonylContact C-O 3.57Å; G53-F70 VanDerWaalsContact CA-O 3.23Å; G53-F70 WeakPolarHBondContact CA-O 3.48Å; G53-W110 CarbonylContact O-C 3.56Å; G53-W110 VanDerWaalsContact O-CA 3.25Å; G53-W110 WeakPolarHBondContact O-CA 3.46Å; G53-W110 VanDerWaalsContact O-CB 3.31Å; G53-W110 WeakPolarHBondContact O-CB 3.49Å; G53-Y111 VanDerWaalsContact C-CE1 3.42Å; G53-Y111 PolarHBondContact N-O 3.07Å; G53-Y111 WeakPolarHBondContact O-CD1 3.48Å; G53-Y111 PolarHBondContact O-N 3.45Å |
| 54 | V | 94.7 | Very high | 83.5 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 139 | -177.2 | -171.3 | 0 | 0 | 0 | 0 | 109.6 | S69 F70 V72 L91 I107 F128 | V54-S69 VanDerWaalsContact O-CA 3.24Å; V54-S69 WeakPolarHBondContact O-CA 3.39Å; V54-S69 WeakPolarHBondContact O-CB 3.3Å; V54-F70 HydrophobicContact CB-CD1 4.24Å; V54-F70 HydrophobicContact CB-CD2 4.46Å; V54-F70 HydrophobicContact CB-CE1 3.71Å; V54-F70 HydrophobicContact CB-CE2 3.96Å; V54-F70 HydrophobicContact CB-CZ 3.56Å; V54-F70 HydrophobicContact CG1-CE1 4.03Å; V54-F70 HydrophobicContact CG1-CZ 4.02Å; V54-F70 HydrophobicContact CG2-CD2 4.46Å; V54-F70 HydrophobicContact CG2-CE1 4.3Å; V54-F70 HydrophobicContact CG2-CE2 3.71Å; V54-F70 HydrophobicContact CG2-CZ 3.62Å; V54-F70 PolarHBondContact N-O 2.97Å; V54-F70 PolarHBondContact O-N 3.28Å; V54-V72 HydrophobicContact CG2-CG2 3.56Å; V54-L91 HydrophobicContact CG2-CD1 3.81Å; V54-L91 HydrophobicContact CG2-CG 4.11Å; V54-I107 HydrophobicContact CG1-CB 4.4Å; V54-I107 HydrophobicContact CG1-CG1 4.04Å; V54-I107 HydrophobicContact CG1-CG2 3.7Å; V54-F128 HydrophobicContact CG2-CE1 3.77Å; V54-F128 HydrophobicContact CG2-CZ 4.2Å |
| 55 | L | 94.7 | Very high | 84.8 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 129.8 | 172.8 | -64.5 | 175.2 | 0 | 0 | 0 | 109.9 | V30 V66 V108 G109 W110 Y111 V138 | V30-L55 HydrophobicContact CG1-CD2 3.87Å; L55-V66 HydrophobicContact CB-CG1 4.1Å; L55-V66 HydrophobicContact CD1-CG1 4.5Å; L55-V66 HydrophobicContact CD2-CG1 3.81Å; L55-V66 HydrophobicContact CG-CG1 4.35Å; L55-V108 HydrophobicContact CB-CG2 3.87Å; L55-V108 WeakPolarHBondContact O-CG2 3.49Å; L55-V108 PolarHBondContact O-N 3.14Å; L55-G109 PolarHBondContact N-O 3.2Å; L55-W110 WeakPolarHBondContact CD1-O 3.19Å; L55-Y111 HydrophobicContact CD2-CD1 3.54Å; L55-Y111 HydrophobicContact CD2-CE1 4.47Å; L55-Y111 HydrophobicContact CD2-CG 4.15Å; L55-Y111 HydrophobicContact CG-CD1 4.01Å; L55-V138 HydrophobicContact CD1-CB 3.8Å; L55-V138 HydrophobicContact CD1-CG2 3.45Å; L55-V138 VanDerWaalsContact CD1-CG2 3.45Å |
| 56 | L | 93.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 142.1 | 174.4 | -63.5 | 179.6 | 0 | 0 | 0 | 109.5 | S67 N68 F70 F95 F98 E105 K106 I107 | L56-S67 PolarHBondContact O-N 3.19Å; L56-S67 VanDerWaalsContact O-N 3.15Å; L56-N68 WeakPolarHBondContact CA-O 3.34Å; L56-N68 HydrophobicContact CB-CB 4.27Å; L56-N68 PolarHBondContact N-O 3.43Å; L56-N68 PolarHBondContact O-N 2.95Å; L56-F70 HydrophobicContact CD1-CD1 3.79Å; L56-F70 HydrophobicContact CD1-CE1 3.93Å; L56-F70 HydrophobicContact CD2-CE1 4.05Å; L56-F70 HydrophobicContact CG-CD1 4.09Å; L56-F70 HydrophobicContact CG-CE1 4Å; L56-F95 HydrophobicContact CD2-CD2 4.15Å; L56-F95 HydrophobicContact CD2-CE2 4.36Å; L56-F98 HydrophobicContact CD1-CB 3.91Å; L56-F98 HydrophobicContact CD1-CD1 3.89Å; L56-F98 HydrophobicContact CD1-CD2 3.96Å; L56-F98 HydrophobicContact CD1-CE1 4.42Å; L56-F98 HydrophobicContact CD1-CE2 4.48Å; L56-F98 HydrophobicContact CD1-CG 3.64Å; L56-E105 HydrophobicContact CB-CB 4.41Å; L56-K106 WeakPolarHBondContact CA-O 3.41Å; L56-I107 HydrophobicContact CD2-CG1 3.92Å |
| 57 | G | 93.1 | Very high | 88 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.7 | -164.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D65 K106 | G57-D65 CarbonylContact C-O 3.51Å; G57-D65 WeakPolarHBondContact CA-O 3.39Å; G57-K106 PolarHBondContact N-O 3.3Å; G57-K106 PolarHBondContact O-N 3.49Å |
| 58 | S | 91.2 | Very high | 89.5 | Confident | 39 Ų | 39 | 35.5 Ų | 35.5 | 27% | 0.273 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 148.9 | 178.7 | 73.3 | 0 | 0 | 0 | 0 | 111.3 | D65 | S58-D65 PolarHBondContact N-O 3.42Å; S58-D65 PolarHBondContact O-N 2.97Å |
| 59 | L | 89.9 | Confident | 90.8 | Very high | 68 Ų | 68 | 30.1 Ų | 30.1 | 36% | 0.356 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 104.8 | 177 | -178.6 | 66.1 | 0 | 0 | 0 | 109.5 | I21 G61 L64 | I21-L59 HydrophobicContact CD1-CD1 4.47Å; I21-L59 HydrophobicContact CG1-CD1 3.98Å; L59-G61 PolarHBondContact O-N 2.72Å; L59-L64 HydrophobicContact CB-CD1 4.41Å; L59-L64 HydrophobicContact CD1-CB 4.32Å; L59-L64 HydrophobicContact CD1-CD1 4.25Å |
| 60 | N | 87.6 | Confident | 91.6 | Very high | 104 Ų | 104 | 27 Ų | 27 | 56% | 0.556 | 16% | 0.164 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 85.7 | 178.2 | -69.4 | -24.5 | 0 | 0 | 0 | 109.3 | S62 I63 | N60-S62 PolarHBondContact O-N 2.83Å; N60-I63 PolarHBondContact N-O 3.1Å; N60-I63 PolarHBondContact O-N 2.98Å |
| 61 | G | 86.3 | Confident | 92 | Very high | 54 Ų | 54 | 26.6 Ų | 26.6 | 56% | 0.557 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | -100 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L59 | L59-G61 PolarHBondContact O-N 2.72Š|
| 62 | S | 89.1 | Confident | 92.1 | Very high | 48 Ų | 48 | 26.3 Ų | 26.3 | 34% | 0.336 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | 0.7 | 179.3 | 66.4 | 0 | 0 | 0 | 0 | 114 | K22 N60 | K22-S62 PolarHBondContact N-O 3.02Å; N60-S62 PolarHBondContact O-N 2.83Å |
| 63 | I | 91.9 | Very high | 91.9 | Very high | 70 Ų | 70 | 29.5 Ų | 29.5 | 36% | 0.359 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 122.4 | 177.7 | -56.7 | 174.1 | 0 | 0 | 0 | 107 | K23 V25 N60 | K23-I63 HydrophobicContact CB-CG1 4.41Å; K23-I63 HydrophobicContact CD-CG2 4.48Å; K23-I63 WeakPolarHBondContact O-CA 3.44Å; V25-I63 HydrophobicContact CG2-CG2 3.71Å; N60-I63 PolarHBondContact N-O 3.1Å; N60-I63 PolarHBondContact O-N 2.98Å |
| 64 | L | 92.7 | Very high | 91.7 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 120.9 | 172 | -178.6 | 68.6 | 0 | 0 | 0 | 108.6 | I21 K23 V24 V25 L59 V66 V108 V136 | I21-L64 HydrophobicContact CD1-CB 4.42Å; I21-L64 HydrophobicContact CD1-CD2 4.35Å; I21-L64 HydrophobicContact CG2-CB 3.83Å; K23-L64 PolarHBondContact O-N 3.39Å; V24-L64 WeakPolarHBondContact CA-O 3.49Å; V24-L64 HydrophobicContact CG1-CD2 4.32Å; V24-L64 HydrophobicContact CG2-CB 4.4Å; V24-L64 HydrophobicContact CG2-CD2 4.43Å; V25-L64 PolarHBondContact N-O 2.93Å; L59-L64 HydrophobicContact CB-CD1 4.41Å; L59-L64 HydrophobicContact CD1-CB 4.32Å; L59-L64 HydrophobicContact CD1-CD1 4.25Å; L64-V66 HydrophobicContact CD2-CG2 4.28Å; L64-V66 HydrophobicContact CG-CG2 4.3Å; L64-V108 HydrophobicContact CD1-CB 3.57Å; L64-V108 HydrophobicContact CD1-CG1 3.52Å; L64-V108 HydrophobicContact CD1-CG2 4.23Å; L64-V108 HydrophobicContact CD2-CB 4.1Å; L64-V108 HydrophobicContact CD2-CG2 4.28Å; L64-V108 HydrophobicContact CG-CB 4.31Å; L64-V136 HydrophobicContact CD2-CB 3.86Å; L64-V136 HydrophobicContact CD2-CG1 4.31Å; L64-V136 HydrophobicContact CD2-CG2 3.62Å |
| 65 | D | 93.3 | Very high | 91.3 | Very high | 40 Ų | 40 | 37 Ų | 37 | 21% | 0.214 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 115.1 | 179.6 | -169.6 | 16.2 | 0 | 0 | 0 | 109.3 | H27 G57 S58 | H27-D65 IonicContact CD2-OD1 3.92Å; H27-D65 PolarHBondContact CD2-OD1 3.44Å; H27-D65 VanDerWaalsContact CD2-OD1 3.23Å; H27-D65 IonicContact CE1-OD1 3.91Å; H27-D65 IonicContact NE2-OD1 3.5Å; H27-D65 PolarHBondContact NE2-OD1 2.96Å; H27-D65 IonicContact NE2-OD2 2.76Å; G57-D65 CarbonylContact C-O 3.51Å; G57-D65 WeakPolarHBondContact CA-O 3.39Å; S58-D65 PolarHBondContact N-O 3.42Å; S58-D65 PolarHBondContact O-N 2.97Å |
| 66 | V | 93.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 100 | -175.7 | -173.1 | 0 | 0 | 0 | 0 | 108.6 | V24 V25 H27 V30 L55 L64 V108 | V24-V66 HydrophobicContact CG1-CG2 3.98Å; V25-V66 WeakPolarHBondContact O-CB 3.39Å; V25-V66 PolarHBondContact O-N 3.1Å; H27-V66 WeakPolarHBondContact CB-O 3.4Å; H27-V66 PolarHBondContact CD2-O 3.39Å; H27-V66 PolarHBondContact N-O 3.15Å; H27-V66 VanDerWaalsContact N-O 3.1Å; V30-V66 HydrophobicContact CG1-CG1 4.42Å; V30-V66 HydrophobicContact CG2-CG1 3.93Å; L55-V66 HydrophobicContact CB-CG1 4.1Å; L55-V66 HydrophobicContact CD1-CG1 4.5Å; L55-V66 HydrophobicContact CD2-CG1 3.81Å; L55-V66 HydrophobicContact CG-CG1 4.35Å; L64-V66 HydrophobicContact CD2-CG2 4.28Å; L64-V66 HydrophobicContact CG-CG2 4.3Å; V66-V108 HydrophobicContact CG2-CG2 4.44Å |
| 67 | S | 91.6 | Very high | 90.2 | Very high | 28 Ų | 28 | 41.8 Ų | 41.8 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | -42 | -176.9 | 55.6 | 0 | 0 | 0 | 0 | 112.6 | L56 E105 | L56-S67 PolarHBondContact O-N 3.19Å; L56-S67 VanDerWaalsContact O-N 3.15Å; S67-E105 PolarHBondContact OG-OE1 2.97Å |
| 68 | N | 93.3 | Very high | 89.5 | Confident | 42 Ų | 42 | 47.6 Ų | 47.6 | 23% | 0.225 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 165.3 | -169.7 | -155 | -7.3 | 0 | 0 | 0 | 111.8 | L56 | L56-N68 WeakPolarHBondContact CA-O 3.34Å; L56-N68 HydrophobicContact CB-CB 4.27Å; L56-N68 PolarHBondContact N-O 3.43Å; L56-N68 PolarHBondContact O-N 2.95Å |
| 69 | S | 93 | Very high | 89 | Confident | 15 Ų | 15 | 50.9 Ų | 50.9 | 11% | 0.105 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 154.9 | 176.4 | 74.8 | 0 | 0 | 0 | 0 | 111 | V54 | V54-S69 VanDerWaalsContact O-CA 3.24Å; V54-S69 WeakPolarHBondContact O-CA 3.39Å; V54-S69 WeakPolarHBondContact O-CB 3.3Å |
| 70 | F | 93.6 | Very high | 88.6 | Confident | 15 Ų | 15 | 52 Ų | 52 | 7% | 0.066 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 147.4 | 171.8 | 64.7 | -91.7 | 0 | 0 | 0 | 111.6 | G53 V54 L56 V72 M94 F98 | G53-F70 CarbonylContact C-O 3.57Å; G53-F70 VanDerWaalsContact CA-O 3.23Å; G53-F70 WeakPolarHBondContact CA-O 3.48Å; V54-F70 HydrophobicContact CB-CD1 4.24Å; V54-F70 HydrophobicContact CB-CD2 4.46Å; V54-F70 HydrophobicContact CB-CE1 3.71Å; V54-F70 HydrophobicContact CB-CE2 3.96Å; V54-F70 HydrophobicContact CB-CZ 3.56Å; V54-F70 HydrophobicContact CG1-CE1 4.03Å; V54-F70 HydrophobicContact CG1-CZ 4.02Å; V54-F70 HydrophobicContact CG2-CD2 4.46Å; V54-F70 HydrophobicContact CG2-CE1 4.3Å; V54-F70 HydrophobicContact CG2-CE2 3.71Å; V54-F70 HydrophobicContact CG2-CZ 3.62Å; V54-F70 PolarHBondContact N-O 2.97Å; V54-F70 PolarHBondContact O-N 3.28Å; L56-F70 HydrophobicContact CD1-CD1 3.79Å; L56-F70 HydrophobicContact CD1-CE1 3.93Å; L56-F70 HydrophobicContact CD2-CE1 4.05Å; L56-F70 HydrophobicContact CG-CD1 4.09Å; L56-F70 HydrophobicContact CG-CE1 4Å; F70-V72 HydrophobicContact CD2-CG2 4.14Å; F70-V72 HydrophobicContact CE2-CG2 3.82Å; F70-M94 HydrophobicContact CD2-CB 4.17Å; F70-M94 HydrophobicContact CE2-CB 3.87Å; F70-M94 HydrophobicContact CZ-CB 4.21Å; F70-F98 HydrophobicContact CB-CE2 3.79Å; F70-F98 HydrophobicContact CB-CZ 4.15Å; F70-F98 AromaticContact CD1-CD2 3.84Å; F70-F98 HydrophobicContact CD1-CD2 3.84Å; F70-F98 AromaticContact CD1-CE2 3.62Å; F70-F98 HydrophobicContact CD1-CE2 3.62Å; F70-F98 HydrophobicContact CD1-CZ 4.43Å; F70-F98 HydrophobicContact CE1-CD2 4.18Å; F70-F98 HydrophobicContact CE1-CE2 4.39Å; F70-F98 HydrophobicContact CG-CD2 4.42Å; F70-F98 AromaticContact CG-CE2 3.83Å; F70-F98 HydrophobicContact CG-CE2 3.83Å |
| 71 | A | 93 | Very high | 88 | Confident | 23 Ų | 23 | 50.6 Ų | 50.6 | 19% | 0.19 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 136.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.1 | H37 Y90 | H37-A71 HydrophobicContact CB-CB 4.44Å; H37-A71 WeakPolarHBondContact CE1-CB 3.45Å; H37-A71 WeakPolarHBondContact ND1-CB 3.44Å; H37-A71 WeakPolarHBondContact NE2-CB 3.5Å; A71-Y90 VanDerWaalsContact O-CE1 3.28Å; A71-Y90 WeakPolarHBondContact O-CE1 3.37Å |
| 72 | V | 91.5 | Very high | 87.7 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.012 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 136.4 | 168.3 | 177.8 | 0 | 0 | 0 | 0 | 108.1 | V52 V54 F70 F74 L86 | V52-V72 PolarHBondContact O-N 2.94Å; V54-V72 HydrophobicContact CG2-CG2 3.56Å; F70-V72 HydrophobicContact CD2-CG2 4.14Å; F70-V72 HydrophobicContact CE2-CG2 3.82Å; V72-F74 PolarHBondContact O-N 3.42Å; V72-L86 HydrophobicContact CG1-CD2 4.41Å; V72-L86 HydrophobicContact CG1-CG 4.07Å |
| 73 | P | 89.7 | Confident | 87.6 | Confident | 67 Ų | 67 | 54.7 Ų | 54.7 | 44% | 0.435 | 31% | 0.31 | S | S | . | . | trans | -54.7 | 113.2 | 170.3 | -24.6 | 34.7 | 0 | 0 | 0 | 110 | D87 Y90 | P73-D87 HydrophobicContact CB-CB 4.49Å; P73-Y90 HydrophobicContact CG-CD1 4.48Å | ||
| 74 | F | 88.6 | Confident | 87.4 | Confident | 25 Ų | 25 | 53.8 Ų | 53.8 | 11% | 0.11 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 126.1 | -177.3 | 178.8 | -95.7 | 0 | 0 | 0 | 109.1 | R50 V52 V72 E76 W84 F85 L86 I124 | R50-F74 HydrophobicContact CG-CD1 4.45Å; R50-F74 HydrophobicContact CG-CE1 3.98Å; V52-F74 HydrophobicContact CB-CB 3.85Å; V52-F74 HydrophobicContact CB-CD1 4.09Å; V52-F74 HydrophobicContact CB-CD2 4.05Å; V52-F74 HydrophobicContact CB-CG 3.69Å; V52-F74 HydrophobicContact CG2-CB 4.28Å; V52-F74 HydrophobicContact CG2-CD1 3.54Å; V52-F74 HydrophobicContact CG2-CD2 3.92Å; V52-F74 HydrophobicContact CG2-CE1 3.85Å; V52-F74 HydrophobicContact CG2-CE2 4.18Å; V52-F74 HydrophobicContact CG2-CG 3.6Å; V52-F74 HydrophobicContact CG2-CZ 4.17Å; V72-F74 PolarHBondContact O-N 3.42Å; F74-E76 HydrophobicContact CE1-CB 3.9Å; F74-E76 HydrophobicContact CZ-CB 4.16Å; F74-W84 HydrophobicContact CE2-CB 3.9Å; F74-W84 HydrophobicContact CE2-CD2 4.28Å; F74-W84 AromaticContact CE2-CE3 3.86Å; F74-W84 HydrophobicContact CE2-CE3 3.86Å; F74-W84 HydrophobicContact CE2-CG 4.34Å; F74-W84 HydrophobicContact CZ-CB 3.79Å; F74-W84 HydrophobicContact CZ-CG 4.44Å; F74-F85 WeakPolarHBondContact CA-O 3.36Å; F74-F85 VanDerWaalsContact CD2-O 3.3Å; F74-F85 WeakPolarHBondContact CD2-O 3.41Å; F74-L86 HydrophobicContact CD2-CB 4.41Å; F74-I124 HydrophobicContact CE2-CD1 3.86Å; F74-I124 HydrophobicContact CZ-CD1 3.9Å |
| 75 | E | 85.8 | Confident | 87.2 | Confident | 133 Ų | 133 | 59.7 Ų | 59.7 | 62% | 0.621 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 134.2 | 174.3 | -66.7 | -168.3 | -179.4 | 0 | 0 | 109.7 | W84 F85 | E75-W84 CarbonylContact O-C 3.52Å; E75-W84 VanDerWaalsContact O-CA 3.23Å; E75-W84 WeakPolarHBondContact O-CA 3.35Å; E75-F85 PolarHBondContact N-O 3.45Å; E75-F85 PolarHBondContact O-N 2.96Å |
| 76 | E | 83.3 | Confident | 87 | Confident | 39 Ų | 39 | 58.3 Ų | 58.3 | 18% | 0.182 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 140 | 168.7 | -172.7 | -178.5 | -143.8 | 0 | 0 | 108 | K49 R50 F74 N120 | K49-E76 PolarHBondContact NZ-O 3.27Å; K49-E76 VanDerWaalsContact NZ-O 3.17Å; R50-E76 IonicContact CZ-OE1 3.11Å; R50-E76 IonicContact CZ-OE2 3.49Å; R50-E76 IonicContact NE-OE2 3.74Å; R50-E76 PolarHBondContact NE-OE2 3.33Å; R50-E76 IonicContact NH1-OE1 2.66Å; R50-E76 PolarHBondContact NH1-OE1 2.97Å; R50-E76 IonicContact NH1-OE2 2.63Å; R50-E76 PolarHBondContact NH1-OE2 3.09Å; R50-E76 IonicContact NH2-OE1 3.67Å; R50-E76 PolarHBondContact NH2-OE1 3.32Å; R50-E76 IonicContact NH2-OE2 3.59Å; R50-E76 PolarHBondContact NH2-OE2 3.19Å; F74-E76 HydrophobicContact CE1-CB 3.9Å; F74-E76 HydrophobicContact CZ-CB 4.16Å; E76-N120 PolarHBondContact OE1-ND2 2.97Å |
| 77 | D | 82.5 | Confident | 86.9 | Confident | 63 Ų | 63 | 60.5 Ų | 60.5 | 34% | 0.337 | 33% | 0.332 | S | S | . | . | trans | -74.9 | 137 | 169.6 | -173.6 | 19.8 | 0 | 0 | 0 | 110.4 | T79 D80 V83 | D77-T79 VanDerWaalsContact C-N 3.32Å; D77-T79 PolarHBondContact OD1-N 3.05Å; D77-D80 PolarHBondContact OD2-N 3.36Å; D77-V83 HydrophobicContact CB-CB 4.35Å; D77-V83 PolarHBondContact N-O 3.33Å; D77-V83 VanDerWaalsContact N-O 3.11Å | ||
| 78 | T | 78 | Confident | 86.7 | Confident | 122 Ų | 122 | 62.3 Ų | 62.3 | 75% | 0.748 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -77.1 | -22.7 | 178.3 | 48.8 | 0 | 0 | 0 | 0 | 112.6 | ||
| 79 | T | 80.1 | Confident | 86.6 | Confident | 108 Ų | 108 | 66.2 Ų | 66.2 | 66% | 0.663 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -86.6 | -51.6 | -179 | -58.2 | 0 | 0 | 0 | 0 | 110.7 | D77 | D77-T79 VanDerWaalsContact C-N 3.32Å; D77-T79 PolarHBondContact OD1-N 3.05Å |
| 80 | D | 81.1 | Confident | 86.6 | Confident | 91 Ų | 91 | 69.7 Ų | 69.7 | 49% | 0.487 | 37% | 0.37 | S | S | . | . | trans | -109.9 | 104.3 | 179 | -69.4 | -30.9 | 0 | 0 | 0 | 111.1 | D77 D82 V83 | D77-D80 PolarHBondContact OD2-N 3.36Å; D80-D82 PolarHBondContact O-N 3.04Å; D80-D82 VanDerWaalsContact O-N 3.15Å; D80-V83 HydrophobicContact CB-CB 4.5Å; D80-V83 HydrophobicContact CB-CG2 4.04Å; D80-V83 PolarHBondContact O-N 3.48Å; D80-V83 VanDerWaalsContact O-N 3.11Å | ||
| 81 | P | 75.5 | Confident | 86.4 | Confident | 74 Ų | 74 | 69 Ų | 69 | 48% | 0.481 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -29.4 | -179.1 | 23.4 | -32.4 | 0 | 0 | 0 | 111.8 | V83 N120 | P81-V83 PolarHBondContact O-N 3.22Å; P81-N120 VanDerWaalsContact C-ND2 3.27Å; P81-N120 WeakPolarHBondContact CB-ND2 3.42Å; P81-N120 PolarHBondContact O-ND2 3.33Å; P81-N120 PolarHBondContact O-OD1 2.86Å; P81-N120 VanDerWaalsContact O-OD1 3.14Å |
| 82 | D | 80.6 | Confident | 86.4 | Confident | 101 Ų | 101 | 72.8 Ų | 72.8 | 54% | 0.54 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -17.2 | -178.6 | -79.3 | -22.1 | 0 | 0 | 0 | 113.9 | D80 K123 | D80-D82 PolarHBondContact O-N 3.04Å; D80-D82 VanDerWaalsContact O-N 3.15Å; D82-K123 IonicContact OD1-NZ 2.73Å; D82-K123 PolarHBondContact OD1-NZ 2.88Å; D82-K123 IonicContact OD2-NZ 3.6Å |
| 83 | V | 86.3 | Confident | 86.4 | Confident | 87 Ų | 87 | 75.7 Ų | 75.7 | 53% | 0.527 | 40% | 0.401 | S | S | . | . | trans | -96 | 106.8 | -180 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | D77 D80 P81 | D77-V83 HydrophobicContact CB-CB 4.35Å; D77-V83 PolarHBondContact N-O 3.33Å; D77-V83 VanDerWaalsContact N-O 3.11Å; D80-V83 HydrophobicContact CB-CB 4.5Å; D80-V83 HydrophobicContact CB-CG2 4.04Å; D80-V83 PolarHBondContact O-N 3.48Å; D80-V83 VanDerWaalsContact O-N 3.11Å; P81-V83 PolarHBondContact O-N 3.22Å | ||
| 84 | W | 88.2 | Confident | 86.6 | Confident | 52 Ų | 52 | 74.2 Ų | 74.2 | 20% | 0.197 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 151.1 | 173.7 | 54.9 | -88.8 | 0 | 0 | 0 | 110.6 | F74 E75 L86 K123 I124 L127 | F74-W84 HydrophobicContact CE2-CB 3.9Å; F74-W84 HydrophobicContact CE2-CD2 4.28Å; F74-W84 AromaticContact CE2-CE3 3.86Å; F74-W84 HydrophobicContact CE2-CE3 3.86Å; F74-W84 HydrophobicContact CE2-CG 4.34Å; F74-W84 HydrophobicContact CZ-CB 3.79Å; F74-W84 HydrophobicContact CZ-CG 4.44Å; E75-W84 CarbonylContact O-C 3.52Å; E75-W84 VanDerWaalsContact O-CA 3.23Å; E75-W84 WeakPolarHBondContact O-CA 3.35Å; W84-L86 HydrophobicContact CE3-CB 4.11Å; W84-L86 HydrophobicContact CZ3-CB 3.79Å; W84-K123 HydrophobicContact CZ2-CB 3.9Å; W84-I124 HydrophobicContact CD2-CD1 4.46Å; W84-I124 HydrophobicContact CD2-CG1 3.93Å; W84-I124 HydrophobicContact CE3-CG1 4.03Å; W84-I124 HydrophobicContact CH2-CB 4.21Å; W84-I124 HydrophobicContact CH2-CG1 3.65Å; W84-I124 HydrophobicContact CZ2-CB 4.41Å; W84-I124 HydrophobicContact CZ2-CG1 3.64Å; W84-I124 HydrophobicContact CZ3-CG1 3.89Å; W84-L127 HydrophobicContact CH2-CD1 3.19Å; W84-L127 HydrophobicContact CH2-CG 3.83Å; W84-L127 HydrophobicContact CZ2-CD1 4.25Å; W84-L127 HydrophobicContact CZ3-CD1 3.63Å |
| 85 | F | 88.2 | Confident | 86.7 | Confident | 127 Ų | 127 | 75.3 Ų | 75.3 | 56% | 0.557 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119 | 132.7 | 180 | -177.8 | -96.7 | 0 | 0 | 0 | 109.8 | F74 E75 D87 | F74-F85 WeakPolarHBondContact CA-O 3.36Å; F74-F85 VanDerWaalsContact CD2-O 3.3Å; F74-F85 WeakPolarHBondContact CD2-O 3.41Å; E75-F85 PolarHBondContact N-O 3.45Å; E75-F85 PolarHBondContact O-N 2.96Å; F85-D87 HydrophobicContact CE1-CB 4.1Å |
| 86 | L | 89.1 | Confident | 87 | Confident | 10 Ų | 10 | 72.3 Ų | 72.3 | 5% | 0.052 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 125.5 | 173.1 | -175.5 | 146.5 | 0 | 0 | 0 | 108.4 | V72 F74 W84 H88 F128 | V72-L86 HydrophobicContact CG1-CD2 4.41Å; V72-L86 HydrophobicContact CG1-CG 4.07Å; F74-L86 HydrophobicContact CD2-CB 4.41Å; W84-L86 HydrophobicContact CE3-CB 4.11Å; W84-L86 HydrophobicContact CZ3-CB 3.79Å; L86-H88 PolarHBondContact O-N 2.92Å; L86-F128 HydrophobicContact CD1-CE2 3.81Å; L86-F128 HydrophobicContact CD1-CZ 3.8Å |
| 87 | D | 91.2 | Very high | 87.4 | Confident | 46 Ų | 46 | 75.2 Ų | 75.2 | 25% | 0.246 | 40% | 0.399 | C | S | . | . | trans | -78.8 | 104.3 | 179.5 | -170 | -20.7 | 0 | 0 | 0 | 111.2 | P73 F85 D89 Y90 L91 | P73-D87 HydrophobicContact CB-CB 4.49Å; F85-D87 HydrophobicContact CE1-CB 4.1Å; D87-D89 PolarHBondContact OD1-N 3.44Å; D87-Y90 VanDerWaalsContact CG-CB 3.42Å; D87-Y90 PolarHBondContact OD1-N 3Å; D87-Y90 WeakPolarHBondContact OD2-CB 3.32Å; D87-L91 PolarHBondContact O-N 3.04Å | ||
| 88 | H | 88.2 | Confident | 87.8 | Confident | 67 Ų | 67 | 74.7 Ų | 74.7 | 31% | 0.31 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -73.4 | -34.6 | 177.5 | -68.6 | -61.1 | 0 | 0 | 0 | 113.3 | L86 Y90 L91 E92 | L86-H88 PolarHBondContact O-N 2.92Å; H88-Y90 VanDerWaalsContact C-N 3.35Å; H88-L91 WeakPolarHBondContact O-CB 3.47Å; H88-L91 PolarHBondContact O-N 3.2Å; H88-E92 PolarHBondContact O-N 2.82Å |
| 89 | D | 91.5 | Very high | 88.4 | Confident | 124 Ų | 124 | 74.8 Ų | 74.8 | 66% | 0.663 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -69.7 | -39.4 | -177.3 | -67.2 | -26.7 | 0 | 0 | 0 | 110.1 | D87 S93 | D87-D89 PolarHBondContact OD1-N 3.44Å; D89-S93 VanDerWaalsContact O-CB 3.26Å; D89-S93 WeakPolarHBondContact O-CB 3.43Å; D89-S93 PolarHBondContact O-N 3.36Å; D89-S93 PolarHBondContact O-OG 2.95Å |
| 90 | Y | 92.5 | Very high | 89 | Confident | 87 Ų | 87 | 77.9 Ų | 77.9 | 34% | 0.341 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 172.2 | -175.9 | -94.2 | 0 | 0 | 0 | 111.6 | A71 P73 D87 H88 S93 M94 | A71-Y90 VanDerWaalsContact O-CE1 3.28Å; A71-Y90 WeakPolarHBondContact O-CE1 3.37Å; P73-Y90 HydrophobicContact CG-CD1 4.48Å; D87-Y90 VanDerWaalsContact CG-CB 3.42Å; D87-Y90 PolarHBondContact OD1-N 3Å; D87-Y90 WeakPolarHBondContact OD2-CB 3.32Å; H88-Y90 VanDerWaalsContact C-N 3.35Å; Y90-S93 PolarHBondContact O-N 3.48Å; Y90-M94 HydrophobicContact CD1-CG 3.94Å; Y90-M94 HydrophobicContact CD2-CG 4.28Å; Y90-M94 HydrophobicContact CE1-CB 4.48Å; Y90-M94 HydrophobicContact CE1-CG 3.46Å; Y90-M94 VanDerWaalsContact CE1-CG 3.46Å; Y90-M94 HydrophobicContact CE2-CE 4.35Å; Y90-M94 HydrophobicContact CE2-CG 3.85Å; Y90-M94 HydrophobicContact CE2-SD 4.3Å; Y90-M94 HydrophobicContact CG-CG 4.33Å; Y90-M94 VanDerWaalsContact CZ-CG 3.42Å; Y90-M94 VanDerWaalsContact O-CB 3.32Å; Y90-M94 WeakPolarHBondContact O-CB 3.21Å; Y90-M94 WeakPolarHBondContact O-CG 3.3Å; Y90-M94 PolarHBondContact O-N 3.32Å |
| 91 | L | 90.8 | Very high | 89.6 | Confident | 2 Ų | 2 | 79.7 Ų | 79.7 | 1% | 0.01 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -58.6 | -49.6 | 178.1 | -178 | 159.9 | 0 | 0 | 0 | 111.6 | V54 D87 H88 F95 I107 F128 Y131 | V54-L91 HydrophobicContact CG2-CD1 3.81Å; V54-L91 HydrophobicContact CG2-CG 4.11Å; D87-L91 PolarHBondContact O-N 3.04Å; H88-L91 WeakPolarHBondContact O-CB 3.47Å; H88-L91 PolarHBondContact O-N 3.2Å; L91-F95 WeakPolarHBondContact O-CB 3.41Å; L91-F95 PolarHBondContact O-N 2.89Å; L91-I107 HydrophobicContact CD2-CD1 4.07Å; L91-F128 HydrophobicContact CD1-CD1 4.42Å; L91-F128 HydrophobicContact CD1-CE1 3.63Å; L91-F128 HydrophobicContact CD1-CZ 4.31Å; L91-Y131 HydrophobicContact CD1-CE2 4.36Å; L91-Y131 HydrophobicContact CD2-CD1 4.24Å; L91-Y131 HydrophobicContact CD2-CE1 3.92Å; L91-Y131 HydrophobicContact CD2-CE2 4.19Å |
| 92 | E | 91 | Very high | 90.2 | Very high | 102 Ų | 102 | 79 Ų | 79 | 48% | 0.477 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68 | -39.5 | -179 | -72.3 | -173.8 | -175.6 | 0 | 0 | 112.6 | H88 T96 Y131 | H88-E92 PolarHBondContact O-N 2.82Å; E92-T96 WeakPolarHBondContact O-CB 3.37Å; E92-T96 PolarHBondContact O-N 3.33Å; E92-T96 PolarHBondContact O-OG1 2.81Å; E92-Y131 HydrophobicContact CG-CE1 4.04Å; E92-Y131 PolarHBondContact OE1-OH 3.39Å |
| 93 | S | 93.4 | Very high | 90.5 | Very high | 62 Ų | 62 | 78.1 Ų | 78.1 | 43% | 0.434 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.3 | -49.4 | 177.1 | -63.2 | 0 | 0 | 0 | 0 | 111.3 | D89 Y90 T96 M97 | D89-S93 VanDerWaalsContact O-CB 3.26Å; D89-S93 WeakPolarHBondContact O-CB 3.43Å; D89-S93 PolarHBondContact O-N 3.36Å; D89-S93 PolarHBondContact O-OG 2.95Å; Y90-S93 PolarHBondContact O-N 3.48Å; S93-T96 PolarHBondContact O-N 3.39Å; S93-M97 WeakPolarHBondContact O-CG 3.28Å; S93-M97 PolarHBondContact O-N 3.41Å; S93-M97 VanDerWaalsContact O-N 3.12Å |
| 94 | M | 92.1 | Very high | 90.6 | Very high | 37 Ų | 37 | 84 Ų | 84 | 18% | 0.182 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 177.1 | -75.8 | -60.9 | 103.6 | 0 | 0 | 111.8 | F70 Y90 T96 M97 F98 | F70-M94 HydrophobicContact CD2-CB 4.17Å; F70-M94 HydrophobicContact CE2-CB 3.87Å; F70-M94 HydrophobicContact CZ-CB 4.21Å; Y90-M94 HydrophobicContact CD1-CG 3.94Å; Y90-M94 HydrophobicContact CD2-CG 4.28Å; Y90-M94 HydrophobicContact CE1-CB 4.48Å; Y90-M94 HydrophobicContact CE1-CG 3.46Å; Y90-M94 VanDerWaalsContact CE1-CG 3.46Å; Y90-M94 HydrophobicContact CE2-CE 4.35Å; Y90-M94 HydrophobicContact CE2-CG 3.85Å; Y90-M94 HydrophobicContact CE2-SD 4.3Å; Y90-M94 HydrophobicContact CG-CG 4.33Å; Y90-M94 VanDerWaalsContact CZ-CG 3.42Å; Y90-M94 VanDerWaalsContact O-CB 3.32Å; Y90-M94 WeakPolarHBondContact O-CB 3.21Å; Y90-M94 WeakPolarHBondContact O-CG 3.3Å; Y90-M94 PolarHBondContact O-N 3.32Å; M94-T96 VanDerWaalsContact C-N 3.25Å; M94-T96 PolarHBondContact O-N 3.5Å; M94-M97 HydrophobicContact CE-CE 3.49Å; M94-M97 VanDerWaalsContact CE-CE 3.49Å; M94-M97 HydrophobicContact CE-SD 3.42Å; M94-M97 WeakPolarHBondContact CE-SD 3.37Å; M94-M97 WeakPolarHBondContact O-CA 3.48Å; M94-M97 WeakPolarHBondContact O-CB 3.47Å; M94-M97 PolarHBondContact O-N 2.84Å; M94-M97 HydrophobicContact SD-SD 4.45Å; M94-F98 WeakPolarHBondContact O-CD2 3.49Å; M94-F98 PolarHBondContact O-N 3.49Å |
| 95 | F | 91 | Very high | 90.5 | Very high | 47 Ų | 47 | 82.6 Ų | 82.6 | 21% | 0.206 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59 | -40.2 | 177.1 | 177.7 | -119 | 0 | 0 | 0 | 111.7 | L56 L91 M97 F98 K99 I107 | L56-F95 HydrophobicContact CD2-CD2 4.15Å; L56-F95 HydrophobicContact CD2-CE2 4.36Å; L91-F95 WeakPolarHBondContact O-CB 3.41Å; L91-F95 PolarHBondContact O-N 2.89Å; F95-M97 VanDerWaalsContact C-N 3.3Å; F95-M97 PolarHBondContact O-N 3.08Å; F95-F98 PolarHBondContact O-N 2.98Å; F95-K99 HydrophobicContact CE1-CD 4.47Å; F95-K99 HydrophobicContact CZ-CD 4.45Å; F95-K99 VanDerWaalsContact O-CB 3.26Å; F95-K99 WeakPolarHBondContact O-CB 3.47Å; F95-K99 PolarHBondContact O-N 2.82Å; F95-I107 HydrophobicContact CB-CD1 4.19Å; F95-I107 HydrophobicContact CD1-CD1 4.04Å; F95-I107 HydrophobicContact CD2-CD1 3.71Å; F95-I107 HydrophobicContact CD2-CG1 3.53Å; F95-I107 HydrophobicContact CE1-CD1 4.35Å; F95-I107 HydrophobicContact CE2-CD1 4.07Å; F95-I107 HydrophobicContact CE2-CG1 3.65Å; F95-I107 HydrophobicContact CG-CD1 3.69Å; F95-I107 HydrophobicContact CG-CG1 4.08Å; F95-I107 HydrophobicContact CZ-CD1 4.36Å; F95-I107 HydrophobicContact CZ-CG1 4.25Å |
| 96 | T | 92.3 | Very high | 90.6 | Very high | 70 Ų | 70 | 83.2 Ų | 83.2 | 43% | 0.429 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.1 | -36.3 | 175 | -59.9 | 0 | 0 | 0 | 0 | 112 | E92 S93 M94 K100 | E92-T96 WeakPolarHBondContact O-CB 3.37Å; E92-T96 PolarHBondContact O-N 3.33Å; E92-T96 PolarHBondContact O-OG1 2.81Å; S93-T96 PolarHBondContact O-N 3.39Å; M94-T96 VanDerWaalsContact C-N 3.25Å; M94-T96 PolarHBondContact O-N 3.5Å; T96-K100 WeakPolarHBondContact O-CG 3.39Å; T96-K100 PolarHBondContact O-N 3.27Å |
| 97 | M | 92.8 | Very high | 90.8 | Very high | 101 Ų | 101 | 83.5 Ų | 83.5 | 50% | 0.498 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68.9 | -47.9 | 174.8 | -65.6 | -175 | -157.8 | 0 | 0 | 112 | S93 M94 F95 K99 K100 V101 | S93-M97 WeakPolarHBondContact O-CG 3.28Å; S93-M97 PolarHBondContact O-N 3.41Å; S93-M97 VanDerWaalsContact O-N 3.12Å; M94-M97 HydrophobicContact CE-CE 3.49Å; M94-M97 VanDerWaalsContact CE-CE 3.49Å; M94-M97 HydrophobicContact CE-SD 3.42Å; M94-M97 WeakPolarHBondContact CE-SD 3.37Å; M94-M97 WeakPolarHBondContact O-CA 3.48Å; M94-M97 WeakPolarHBondContact O-CB 3.47Å; M94-M97 PolarHBondContact O-N 2.84Å; M94-M97 HydrophobicContact SD-SD 4.45Å; F95-M97 VanDerWaalsContact C-N 3.3Å; F95-M97 PolarHBondContact O-N 3.08Å; M97-K99 VanDerWaalsContact C-N 3.29Å; M97-K99 PolarHBondContact O-N 2.88Å; M97-K100 WeakPolarHBondContact O-CB 3.32Å; M97-K100 PolarHBondContact O-N 3.3Å; M97-V101 PolarHBondContact O-N 3.35Å; M97-V101 VanDerWaalsContact O-N 3.14Å |
| 98 | F | 90.7 | Very high | 90.9 | Very high | 52 Ų | 52 | 82 Ų | 82 | 23% | 0.228 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59.1 | -41.9 | 176.6 | -84.1 | -72.8 | 0 | 0 | 0 | 111.8 | L56 F70 M94 F95 K100 V101 N102 | L56-F98 HydrophobicContact CD1-CB 3.91Å; L56-F98 HydrophobicContact CD1-CD1 3.89Å; L56-F98 HydrophobicContact CD1-CD2 3.96Å; L56-F98 HydrophobicContact CD1-CE1 4.42Å; L56-F98 HydrophobicContact CD1-CE2 4.48Å; L56-F98 HydrophobicContact CD1-CG 3.64Å; F70-F98 HydrophobicContact CB-CE2 3.79Å; F70-F98 HydrophobicContact CB-CZ 4.15Å; F70-F98 AromaticContact CD1-CD2 3.84Å; F70-F98 HydrophobicContact CD1-CD2 3.84Å; F70-F98 AromaticContact CD1-CE2 3.62Å; F70-F98 HydrophobicContact CD1-CE2 3.62Å; F70-F98 HydrophobicContact CD1-CZ 4.43Å; F70-F98 HydrophobicContact CE1-CD2 4.18Å; F70-F98 HydrophobicContact CE1-CE2 4.39Å; F70-F98 HydrophobicContact CG-CD2 4.42Å; F70-F98 AromaticContact CG-CE2 3.83Å; F70-F98 HydrophobicContact CG-CE2 3.83Å; M94-F98 WeakPolarHBondContact O-CD2 3.49Å; M94-F98 PolarHBondContact O-N 3.49Å; F95-F98 PolarHBondContact O-N 2.98Å; F98-K100 PolarHBondContact O-N 3.48Å; F98-V101 PolarHBondContact O-N 3.07Å; F98-N102 PolarHBondContact O-N 3.17Å |
| 99 | K | 90.6 | Very high | 91.1 | Very high | 124 Ų | 124 | 78.8 Ų | 78.8 | 54% | 0.539 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.7 | -28.9 | 175.7 | -170.2 | 175.8 | -179.4 | -178.3 | 0 | 113.4 | F95 M97 | F95-K99 HydrophobicContact CE1-CD 4.47Å; F95-K99 HydrophobicContact CZ-CD 4.45Å; F95-K99 VanDerWaalsContact O-CB 3.26Å; F95-K99 WeakPolarHBondContact O-CB 3.47Å; F95-K99 PolarHBondContact O-N 2.82Å; M97-K99 VanDerWaalsContact C-N 3.29Å; M97-K99 PolarHBondContact O-N 2.88Å |
| 100 | K | 92.7 | Very high | 91.2 | Very high | 172 Ų | 172 | 72.9 Ų | 72.9 | 75% | 0.748 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -73.2 | -34.3 | 173.3 | -74.1 | 171.7 | -178.1 | 178.1 | 0 | 112.2 | T96 M97 F98 | T96-K100 WeakPolarHBondContact O-CG 3.39Å; T96-K100 PolarHBondContact O-N 3.27Å; M97-K100 WeakPolarHBondContact O-CB 3.32Å; M97-K100 PolarHBondContact O-N 3.3Å; F98-K100 PolarHBondContact O-N 3.48Å |
| 101 | V | 92.6 | Very high | 91.3 | Very high | 130 Ų | 130 | 68.9 Ų | 68.9 | 79% | 0.788 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -76.9 | -48.4 | 178.5 | 177.9 | 0 | 0 | 0 | 0 | 110.5 | M97 F98 | M97-V101 PolarHBondContact O-N 3.35Å; M97-V101 VanDerWaalsContact O-N 3.14Å; F98-V101 PolarHBondContact O-N 3.07Å |
| 102 | N | 88.6 | Confident | 91.4 | Very high | 59 Ų | 59 | 68.9 Ų | 68.9 | 32% | 0.316 | 34% | 0.344 | S | S | . | . | trans | -137.6 | 108.6 | -179.1 | -169.3 | -5.9 | 0 | 0 | 0 | 110.9 | F98 R104 E105 | F98-N102 PolarHBondContact O-N 3.17Å; N102-R104 PolarHBondContact O-N 3.44Å; N102-R104 WeakPolarHBondContact OD1-CB 3.15Å; N102-R104 PolarHBondContact OD1-N 3.32Å; N102-R104 VanDerWaalsContact OD1-N 3.11Å; N102-E105 HydrophobicContact CB-CG 4.37Å | ||
| 103 | A | 87.7 | Confident | 91.2 | Very high | 82 Ų | 82 | 64 Ų | 64 | 68% | 0.678 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -11 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 104 | R | 87.2 | Confident | 90.2 | Very high | 211 Ų | 211 | 61.7 Ų | 61.7 | 80% | 0.796 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -28.7 | 179 | -64.3 | -176.6 | 176.4 | -176.4 | 0.1 | 112.3 | N102 | N102-R104 PolarHBondContact O-N 3.44Å; N102-R104 WeakPolarHBondContact OD1-CB 3.15Å; N102-R104 PolarHBondContact OD1-N 3.32Å; N102-R104 VanDerWaalsContact OD1-N 3.11Å |
| 105 | E | 87 | Confident | 89.4 | Confident | 22 Ų | 22 | 64.3 Ų | 64.3 | 10% | 0.103 | 33% | 0.327 | C | S | . | . | trans | -78.1 | 130.2 | -177 | -68.1 | -174.7 | 155.8 | 0 | 0 | 111.4 | L56 S67 N102 | L56-E105 HydrophobicContact CB-CB 4.41Å; S67-E105 PolarHBondContact OG-OE1 2.97Å; N102-E105 HydrophobicContact CB-CG 4.37Å | ||
| 106 | K | 90.5 | Very high | 88.9 | Confident | 140 Ų | 140 | 70 Ų | 70 | 61% | 0.609 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 159 | 174.2 | -64.5 | -179.5 | -176.4 | 174.7 | 0 | 109.2 | L56 G57 V108 | L56-K106 WeakPolarHBondContact CA-O 3.41Å; G57-K106 PolarHBondContact N-O 3.3Å; G57-K106 PolarHBondContact O-N 3.49Å; K106-V108 PolarHBondContact O-N 3.23Å |
| 107 | I | 92.6 | Very high | 88.5 | Confident | 17 Ų | 17 | 70 Ų | 70 | 9% | 0.087 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 119.5 | 168.8 | -60.9 | 168.7 | 0 | 0 | 0 | 107.7 | V54 L56 L91 F95 A132 | V54-I107 HydrophobicContact CG1-CB 4.4Å; V54-I107 HydrophobicContact CG1-CG1 4.04Å; V54-I107 HydrophobicContact CG1-CG2 3.7Å; L56-I107 HydrophobicContact CD2-CG1 3.92Å; L91-I107 HydrophobicContact CD2-CD1 4.07Å; F95-I107 HydrophobicContact CB-CD1 4.19Å; F95-I107 HydrophobicContact CD1-CD1 4.04Å; F95-I107 HydrophobicContact CD2-CD1 3.71Å; F95-I107 HydrophobicContact CD2-CG1 3.53Å; F95-I107 HydrophobicContact CE1-CD1 4.35Å; F95-I107 HydrophobicContact CE2-CD1 4.07Å; F95-I107 HydrophobicContact CE2-CG1 3.65Å; F95-I107 HydrophobicContact CG-CD1 3.69Å; F95-I107 HydrophobicContact CG-CG1 4.08Å; F95-I107 HydrophobicContact CZ-CD1 4.36Å; F95-I107 HydrophobicContact CZ-CG1 4.25Å; I107-A132 HydrophobicContact CG2-CB 4.39Å |
| 108 | V | 92.2 | Very high | 87.9 | Confident | 14 Ų | 14 | 67.6 Ų | 67.6 | 9% | 0.085 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | -19.8 | -179.8 | -66.8 | 0 | 0 | 0 | 0 | 112.1 | L55 L64 V66 K106 V136 | L55-V108 HydrophobicContact CB-CG2 3.87Å; L55-V108 WeakPolarHBondContact O-CG2 3.49Å; L55-V108 PolarHBondContact O-N 3.14Å; L64-V108 HydrophobicContact CD1-CB 3.57Å; L64-V108 HydrophobicContact CD1-CG1 3.52Å; L64-V108 HydrophobicContact CD1-CG2 4.23Å; L64-V108 HydrophobicContact CD2-CB 4.1Å; L64-V108 HydrophobicContact CD2-CG2 4.28Å; L64-V108 HydrophobicContact CG-CB 4.31Å; V66-V108 HydrophobicContact CG2-CG2 4.44Å; K106-V108 PolarHBondContact O-N 3.23Å; V108-V136 PolarHBondContact O-N 3.27Å |
| 109 | G | 93.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169 | -154.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L55 V136 | L55-G109 PolarHBondContact N-O 3.2Å; G109-V136 CarbonylContact C-O 3.58Å; G109-V136 WeakPolarHBondContact CA-O 3.34Å |
| 110 | W | 94.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 158.2 | -178.4 | 62.5 | -75.2 | 0 | 0 | 0 | 109.8 | V52 G53 L55 H112 D121 I124 N125 F128 V136 L137 V138 | V52-W110 HydrophobicContact CG1-CE3 3.86Å; V52-W110 HydrophobicContact CG1-CZ3 4.3Å; G53-W110 CarbonylContact O-C 3.56Å; G53-W110 VanDerWaalsContact O-CA 3.25Å; G53-W110 WeakPolarHBondContact O-CA 3.46Å; G53-W110 VanDerWaalsContact O-CB 3.31Å; G53-W110 WeakPolarHBondContact O-CB 3.49Å; L55-W110 WeakPolarHBondContact CD1-O 3.19Å; W110-H112 AromaticContact CH2-CD2 4Å; W110-H112 HydrophobicContact CZ3-CB 4.05Å; W110-H112 AromaticContact CZ3-CD2 3.7Å; W110-D121 HydrophobicContact CH2-CB 3.75Å; W110-D121 HydrophobicContact CZ2-CB 4.18Å; W110-D121 WeakPolarHBondContact CZ2-O 3.42Å; W110-I124 HydrophobicContact CD2-CG2 4.11Å; W110-I124 HydrophobicContact CE3-CG2 3.99Å; W110-I124 HydrophobicContact CH2-CB 3.99Å; W110-I124 HydrophobicContact CH2-CG2 3.75Å; W110-I124 HydrophobicContact CZ2-CB 4.16Å; W110-I124 HydrophobicContact CZ2-CG2 3.91Å; W110-I124 HydrophobicContact CZ3-CB 4.45Å; W110-I124 HydrophobicContact CZ3-CG2 3.78Å; W110-N125 HydrophobicContact CZ2-CB 4.01Å; W110-N125 PolarHBondContact NE1-OD1 3.46Å; W110-F128 HydrophobicContact CB-CD1 4.19Å; W110-F128 HydrophobicContact CB-CD2 3.77Å; W110-F128 HydrophobicContact CB-CE1 4.04Å; W110-F128 HydrophobicContact CB-CE2 3.6Å; W110-F128 HydrophobicContact CB-CG 4.06Å; W110-F128 HydrophobicContact CB-CZ 3.75Å; W110-F128 AromaticContact CD1-CD2 3.47Å; W110-F128 VanDerWaalsContact CD1-CD2 3.47Å; W110-F128 AromaticContact CD1-CG 3.71Å; W110-F128 AromaticContact CD2-CD2 3.94Å; W110-F128 HydrophobicContact CD2-CD2 3.94Å; W110-F128 AromaticContact CD2-CE2 4Å; W110-F128 HydrophobicContact CD2-CE2 4Å; W110-F128 HydrophobicContact CE3-CE2 4.41Å; W110-F128 AromaticContact CG-CD2 3.45Å; W110-F128 HydrophobicContact CG-CD2 3.45Å; W110-F128 VanDerWaalsContact CG-CD2 3.45Å; W110-F128 AromaticContact CG-CE2 3.64Å; W110-F128 HydrophobicContact CG-CE2 3.64Å; W110-F128 AromaticContact CG-CG 3.96Å; W110-F128 HydrophobicContact CG-CG 3.96Å; W110-F128 HydrophobicContact CG-CZ 4.29Å; W110-F128 AromaticContact NE1-CD2 3.96Å; W110-V136 PolarHBondContact N-O 3.19Å; W110-L137 HydrophobicContact CD2-CD1 3.92Å; W110-L137 HydrophobicContact CE3-CD1 3.84Å; W110-L137 HydrophobicContact CH2-CD1 3.72Å; W110-L137 HydrophobicContact CH2-CD2 4.18Å; W110-L137 HydrophobicContact CH2-CG 4.49Å; W110-L137 HydrophobicContact CZ2-CB 4.27Å; W110-L137 HydrophobicContact CZ2-CD1 3.75Å; W110-L137 HydrophobicContact CZ2-CD2 3.99Å; W110-L137 HydrophobicContact CZ2-CG 4.21Å; W110-L137 HydrophobicContact CZ3-CD1 3.77Å; W110-L137 WeakPolarHBondContact O-CA 3.42Å; W110-V138 PolarHBondContact O-N 2.88Å |
| 111 | Y | 94.5 | Very high | 87.3 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.008 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 155.2 | 174 | 70.4 | -89.7 | 0 | 0 | 0 | 109.7 | V34 H37 V52 G53 L55 V138 | V34-Y111 HydrophobicContact CB-CD2 4.33Å; V34-Y111 HydrophobicContact CB-CE2 4.06Å; V34-Y111 HydrophobicContact CG1-CD2 3.91Å; V34-Y111 HydrophobicContact CG1-CE2 3.76Å; V34-Y111 HydrophobicContact CG2-CD1 4.35Å; V34-Y111 HydrophobicContact CG2-CD2 3.48Å; V34-Y111 VanDerWaalsContact CG2-CD2 3.48Å; V34-Y111 HydrophobicContact CG2-CE1 4.27Å; V34-Y111 HydrophobicContact CG2-CE2 3.42Å; V34-Y111 VanDerWaalsContact CG2-CE2 3.42Å; V34-Y111 HydrophobicContact CG2-CG 3.96Å; H37-Y111 AromaticContact ND1-CZ 3.96Å; H37-Y111 PolarHBondContact ND1-OH 3.07Å; V52-Y111 WeakPolarHBondContact CA-O 3.37Å; G53-Y111 VanDerWaalsContact C-CE1 3.42Å; G53-Y111 PolarHBondContact N-O 3.07Å; G53-Y111 WeakPolarHBondContact O-CD1 3.48Å; G53-Y111 PolarHBondContact O-N 3.45Å; L55-Y111 HydrophobicContact CD2-CD1 3.54Å; L55-Y111 HydrophobicContact CD2-CE1 4.47Å; L55-Y111 HydrophobicContact CD2-CG 4.15Å; L55-Y111 HydrophobicContact CG-CD1 4.01Å; Y111-V138 WeakPolarHBondContact CA-O 3.37Å; Y111-V138 VanDerWaalsContact CB-O 3.29Å; Y111-V138 WeakPolarHBondContact CB-O 3.43Å |
| 112 | H | 91.8 | Very high | 87.1 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.009 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 151.2 | 160 | 70 | 81.9 | 0 | 0 | 0 | 110.4 | V51 V52 W110 G114 D121 L137 V138 V139 V140 | V51-H112 CarbonylContact O-C 3.55Å; V51-H112 WeakPolarHBondContact O-CA 3.29Å; V52-H112 HydrophobicContact CG2-CB 4.01Å; W110-H112 AromaticContact CH2-CD2 4Å; W110-H112 HydrophobicContact CZ3-CB 4.05Å; W110-H112 AromaticContact CZ3-CD2 3.7Å; H112-G114 PolarHBondContact O-N 3.01Å; H112-D121 IonicContact NE2-OD2 3.16Å; H112-D121 PolarHBondContact NE2-OD2 3.41Å; H112-L137 WeakPolarHBondContact CD2-CD1 3.33Å; H112-V138 PolarHBondContact N-O 3.44Å; H112-V139 WeakPolarHBondContact NE2-CG2 3.42Å; H112-V140 PolarHBondContact O-N 2.97Å |
| 113 | S | 87.5 | Confident | 87.1 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.007 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 122.4 | 166.6 | 63.4 | 0 | 0 | 0 | 0 | 108.1 | R50 V51 V140 | R50-S113 WeakPolarHBondContact CA-OG 3.48Å; V51-S113 WeakPolarHBondContact CG2-OG 3.43Å; V51-S113 PolarHBondContact N-OG 2.92Å; V51-S113 PolarHBondContact O-N 3.06Å; S113-V140 CarbonylContact C-O 3.51Å; S113-V140 WeakPolarHBondContact CA-O 2.98Å |
| 114 | G | 73 | Confident | 87.2 | Confident | 12 Ų | 12 | 50.4 Ų | 50.4 | 12% | 0.124 | 25% | 0.249 | C | C | . | . | trans | -58.1 | -179.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | H112 V140 | H112-G114 PolarHBondContact O-N 3.01Å; G114-V140 PolarHBondContact N-O 3.47Å | ||
| 115 | P | 74.9 | Confident | 87.3 | Confident | 93 Ų | 93 | 40.7 Ų | 40.7 | 60% | 0.604 | 21% | 0.213 | S | C | * | . | S | Bend | -108.7 | -16.2 | 52.2 | 34.2 | -35.5 | 0 | 0 | 0 | 116.1 | |||
| 116 | K | 79.6 | Confident | 87.4 | Confident | 165 Ų | 165 | 43.7 Ų | 43.7 | 72% | 0.717 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -141.5 | 156.3 | -177.3 | -64.7 | -172.6 | 177.8 | -173.4 | 0 | 111.1 | ||
| 117 | L | 84.3 | Confident | 87.3 | Confident | 71 Ų | 71 | 38.9 Ų | 38.9 | 37% | 0.372 | 21% | 0.208 | S | C | . | . | trans | -62 | 138.5 | 170.1 | -69.1 | 167.5 | 0 | 0 | 0 | 110.3 | D121 L137 V139 Y155 | L117-D121 WeakPolarHBondContact CA-OD2 3.41Å; L117-L137 HydrophobicContact CD2-CD2 3.55Å; L117-V139 HydrophobicContact CD2-CG2 3.86Å; L117-Y155 HydrophobicContact CD1-CD1 4.36Å; L117-Y155 HydrophobicContact CD1-CD2 4.37Å; L117-Y155 HydrophobicContact CD1-CE1 4.01Å; L117-Y155 HydrophobicContact CD1-CE2 4Å; L117-Y155 HydrophobicContact CD2-CD2 4.12Å; L117-Y155 HydrophobicContact CD2-CE2 4.17Å; L117-Y155 HydrophobicContact CG-CE2 4.28Å | ||
| 118 | C | 81.3 | Confident | 87.1 | Confident | 50 Ų | 50 | 38.2 Ų | 38.2 | 34% | 0.338 | 20% | 0.204 | S | C | . | . | trans | -112.4 | 152.1 | 177.2 | -64.4 | 0 | 0 | 0 | 0 | 110.1 | R50 N120 D121 | R50-C118 PolarHBondContact NH1-SG 3.23Å; R50-C118 VanDerWaalsContact NH1-SG 3.43Å; C118-N120 PolarHBondContact O-N 3.45Å; C118-N120 VanDerWaalsContact O-N 3.11Å; C118-D121 PolarHBondContact N-OD2 3.13Å; C118-D121 VanDerWaalsContact O-CB 3.29Å; C118-D121 WeakPolarHBondContact O-CB 3.46Å; C118-D121 VanDerWaalsContact O-CG 3.28Å; C118-D121 PolarHBondContact O-N 3.43Å | ||
| 119 | T | 83.4 | Confident | 86.8 | Confident | 116 Ų | 116 | 42.2 Ų | 42.2 | 71% | 0.712 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -29.3 | 177.1 | -46.2 | 0 | 0 | 0 | 0 | 112.5 | D121 I122 | T119-D121 PolarHBondContact O-N 3.16Å; T119-I122 PolarHBondContact O-N 2.94Å |
| 120 | N | 87.5 | Confident | 86.5 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.3 | -22.6 | 178.9 | -62.6 | -35.5 | 0 | 0 | 0 | 113.9 | E76 P81 C118 I122 K123 I124 | E76-N120 PolarHBondContact OE1-ND2 2.97Å; P81-N120 VanDerWaalsContact C-ND2 3.27Å; P81-N120 WeakPolarHBondContact CB-ND2 3.42Å; P81-N120 PolarHBondContact O-ND2 3.33Å; P81-N120 PolarHBondContact O-OD1 2.86Å; P81-N120 VanDerWaalsContact O-OD1 3.14Å; C118-N120 PolarHBondContact O-N 3.45Å; C118-N120 VanDerWaalsContact O-N 3.11Å; N120-I122 PolarHBondContact O-N 3.22Å; N120-K123 WeakPolarHBondContact O-CB 3.48Å; N120-K123 PolarHBondContact O-N 3.06Å; N120-I124 WeakPolarHBondContact O-CG1 3.14Å; N120-I124 PolarHBondContact O-N 3.36Å |
| 121 | D | 90.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.9 | -29 | -177 | -61.4 | -20.9 | 0 | 0 | 0 | 111.3 | W110 H112 L117 C118 T119 N125 L137 F172 | W110-D121 HydrophobicContact CH2-CB 3.75Å; W110-D121 HydrophobicContact CZ2-CB 4.18Å; W110-D121 WeakPolarHBondContact CZ2-O 3.42Å; H112-D121 IonicContact NE2-OD2 3.16Å; H112-D121 PolarHBondContact NE2-OD2 3.41Å; L117-D121 WeakPolarHBondContact CA-OD2 3.41Å; C118-D121 PolarHBondContact N-OD2 3.13Å; C118-D121 VanDerWaalsContact O-CB 3.29Å; C118-D121 WeakPolarHBondContact O-CB 3.46Å; C118-D121 VanDerWaalsContact O-CG 3.28Å; C118-D121 PolarHBondContact O-N 3.43Å; T119-D121 PolarHBondContact O-N 3.16Å; D121-N125 WeakPolarHBondContact O-CB 3.41Å; D121-N125 PolarHBondContact O-N 2.99Å; D121-L137 HydrophobicContact CB-CD2 4.35Å; D121-F172 HydrophobicContact CB-CE2 3.85Å; D121-F172 HydrophobicContact CB-CZ 4.21Å |
| 122 | I | 88.1 | Confident | 85.5 | Confident | 54 Ų | 54 | 54 Ų | 54 | 28% | 0.277 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.7 | -46.7 | 173.9 | -60 | 170.1 | 0 | 0 | 0 | 110.1 | T119 N120 N125 E126 K170 F172 | T119-I122 PolarHBondContact O-N 2.94Å; N120-I122 PolarHBondContact O-N 3.22Å; I122-N125 PolarHBondContact O-N 3.39Å; I122-E126 PolarHBondContact O-N 3.37Å; I122-E126 VanDerWaalsContact O-N 3.14Å; I122-K170 WeakPolarHBondContact CD1-O 3.27Å; I122-K170 HydrophobicContact CG2-CB 3.95Å; I122-K170 HydrophobicContact CG2-CD 4.4Å; I122-F172 HydrophobicContact CG1-CD2 4.34Å; I122-F172 HydrophobicContact CG1-CE2 3.75Å; I122-F172 HydrophobicContact CG1-CZ 4.48Å |
| 123 | K | 88.5 | Confident | 84.9 | Confident | 85 Ų | 85 | 57.8 Ų | 57.8 | 37% | 0.37 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.7 | -42.7 | 179.2 | -62.4 | 177.6 | 178.1 | 172.9 | 0 | 111.2 | D82 W84 N120 N125 E126 L127 | D82-K123 IonicContact OD1-NZ 2.73Å; D82-K123 PolarHBondContact OD1-NZ 2.88Å; D82-K123 IonicContact OD2-NZ 3.6Å; W84-K123 HydrophobicContact CZ2-CB 3.9Å; N120-K123 WeakPolarHBondContact O-CB 3.48Å; N120-K123 PolarHBondContact O-N 3.06Å; K123-N125 VanDerWaalsContact C-N 3.33Å; K123-N125 PolarHBondContact O-N 2.92Å; K123-E126 PolarHBondContact O-N 3.33Å; K123-L127 PolarHBondContact O-N 2.9Å |
| 124 | I | 89.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 176.6 | -65.5 | 168.8 | 0 | 0 | 0 | 109.9 | F74 W84 W110 N120 E126 L127 F128 | F74-I124 HydrophobicContact CE2-CD1 3.86Å; F74-I124 HydrophobicContact CZ-CD1 3.9Å; W84-I124 HydrophobicContact CD2-CD1 4.46Å; W84-I124 HydrophobicContact CD2-CG1 3.93Å; W84-I124 HydrophobicContact CE3-CG1 4.03Å; W84-I124 HydrophobicContact CH2-CB 4.21Å; W84-I124 HydrophobicContact CH2-CG1 3.65Å; W84-I124 HydrophobicContact CZ2-CB 4.41Å; W84-I124 HydrophobicContact CZ2-CG1 3.64Å; W84-I124 HydrophobicContact CZ3-CG1 3.89Å; W110-I124 HydrophobicContact CD2-CG2 4.11Å; W110-I124 HydrophobicContact CE3-CG2 3.99Å; W110-I124 HydrophobicContact CH2-CB 3.99Å; W110-I124 HydrophobicContact CH2-CG2 3.75Å; W110-I124 HydrophobicContact CZ2-CB 4.16Å; W110-I124 HydrophobicContact CZ2-CG2 3.91Å; W110-I124 HydrophobicContact CZ3-CB 4.45Å; W110-I124 HydrophobicContact CZ3-CG2 3.78Å; N120-I124 WeakPolarHBondContact O-CG1 3.14Å; N120-I124 PolarHBondContact O-N 3.36Å; I124-E126 VanDerWaalsContact C-N 3.28Å; I124-E126 PolarHBondContact O-N 3.04Å; I124-L127 WeakPolarHBondContact O-CB 3.49Å; I124-L127 PolarHBondContact O-N 2.91Å; I124-L127 VanDerWaalsContact O-N 3.09Å; I124-F128 HydrophobicContact CG2-CD2 3.8Å; I124-F128 HydrophobicContact CG2-CE2 3.63Å; I124-F128 WeakPolarHBondContact O-CD2 3.41Å; I124-F128 PolarHBondContact O-N 3.48Å |
| 125 | N | 90.4 | Very high | 85.5 | Confident | 7 Ų | 7 | 59 Ų | 59 | 4% | 0.037 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.7 | -32.5 | 179.5 | -169.5 | 56.5 | 0 | 0 | 0 | 113 | W110 D121 I122 K123 L127 F128 R129 S135 A157 F172 | W110-N125 HydrophobicContact CZ2-CB 4.01Å; W110-N125 PolarHBondContact NE1-OD1 3.46Å; D121-N125 WeakPolarHBondContact O-CB 3.41Å; D121-N125 PolarHBondContact O-N 2.99Å; I122-N125 PolarHBondContact O-N 3.39Å; K123-N125 VanDerWaalsContact C-N 3.33Å; K123-N125 PolarHBondContact O-N 2.92Å; N125-L127 VanDerWaalsContact C-N 3.31Å; N125-L127 PolarHBondContact O-N 3.15Å; N125-F128 PolarHBondContact O-N 3.03Å; N125-R129 WeakPolarHBondContact O-CB 3.38Å; N125-R129 PolarHBondContact O-N 2.9Å; N125-S135 WeakPolarHBondContact OD1-CB 3.48Å; N125-S135 PolarHBondContact OD1-OG 3.06Å; N125-A157 WeakPolarHBondContact ND2-CB 3.41Å; N125-F172 HydrophobicContact CB-CE1 4.33Å; N125-F172 HydrophobicContact CB-CZ 4.02Å |
| 126 | E | 87.5 | Confident | 86.3 | Confident | 84 Ų | 84 | 54.6 Ų | 54.6 | 39% | 0.393 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.6 | -35 | 173.8 | -74.3 | -174.7 | 174.2 | 0 | 0 | 113 | I122 K123 I124 R129 K170 | I122-E126 PolarHBondContact O-N 3.37Å; I122-E126 VanDerWaalsContact O-N 3.14Å; K123-E126 PolarHBondContact O-N 3.33Å; I124-E126 VanDerWaalsContact C-N 3.28Å; I124-E126 PolarHBondContact O-N 3.04Å; E126-R129 PolarHBondContact O-N 3.42Å; E126-K170 WeakPolarHBondContact OE1-CD 3.43Å; E126-K170 IonicContact OE1-NZ 3.09Å; E126-K170 PolarHBondContact OE1-NZ 3.26Å |
| 127 | L | 88.7 | Confident | 87 | Confident | 40 Ų | 40 | 46.8 Ų | 46.8 | 21% | 0.209 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.9 | -44.5 | 173.4 | -65.1 | -166.7 | 0 | 0 | 0 | 111.2 | W84 K123 I124 N125 R129 K130 | W84-L127 HydrophobicContact CH2-CD1 3.19Å; W84-L127 HydrophobicContact CH2-CG 3.83Å; W84-L127 HydrophobicContact CZ2-CD1 4.25Å; W84-L127 HydrophobicContact CZ3-CD1 3.63Å; K123-L127 PolarHBondContact O-N 2.9Å; I124-L127 WeakPolarHBondContact O-CB 3.49Å; I124-L127 PolarHBondContact O-N 2.91Å; I124-L127 VanDerWaalsContact O-N 3.09Å; N125-L127 VanDerWaalsContact C-N 3.31Å; N125-L127 PolarHBondContact O-N 3.15Å; L127-R129 VanDerWaalsContact C-N 3.26Å; L127-R129 PolarHBondContact O-N 3.45Å; L127-K130 WeakPolarHBondContact O-CB 3.38Å; L127-K130 PolarHBondContact O-N 3.35Å |
| 128 | F | 88.8 | Confident | 87.4 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.6 | -28.6 | 176.2 | -77.3 | -71.1 | 0 | 0 | 0 | 113.3 | V52 V54 L86 L91 W110 I124 N125 K130 Y131 A132 | V52-F128 HydrophobicContact CG1-CE2 4.49Å; V54-F128 HydrophobicContact CG2-CE1 3.77Å; V54-F128 HydrophobicContact CG2-CZ 4.2Å; L86-F128 HydrophobicContact CD1-CE2 3.81Å; L86-F128 HydrophobicContact CD1-CZ 3.8Å; L91-F128 HydrophobicContact CD1-CD1 4.42Å; L91-F128 HydrophobicContact CD1-CE1 3.63Å; L91-F128 HydrophobicContact CD1-CZ 4.31Å; W110-F128 HydrophobicContact CB-CD1 4.19Å; W110-F128 HydrophobicContact CB-CD2 3.77Å; W110-F128 HydrophobicContact CB-CE1 4.04Å; W110-F128 HydrophobicContact CB-CE2 3.6Å; W110-F128 HydrophobicContact CB-CG 4.06Å; W110-F128 HydrophobicContact CB-CZ 3.75Å; W110-F128 AromaticContact CD1-CD2 3.47Å; W110-F128 VanDerWaalsContact CD1-CD2 3.47Å; W110-F128 AromaticContact CD1-CG 3.71Å; W110-F128 AromaticContact CD2-CD2 3.94Å; W110-F128 HydrophobicContact CD2-CD2 3.94Å; W110-F128 AromaticContact CD2-CE2 4Å; W110-F128 HydrophobicContact CD2-CE2 4Å; W110-F128 HydrophobicContact CE3-CE2 4.41Å; W110-F128 AromaticContact CG-CD2 3.45Å; W110-F128 HydrophobicContact CG-CD2 3.45Å; W110-F128 VanDerWaalsContact CG-CD2 3.45Å; W110-F128 AromaticContact CG-CE2 3.64Å; W110-F128 HydrophobicContact CG-CE2 3.64Å; W110-F128 AromaticContact CG-CG 3.96Å; W110-F128 HydrophobicContact CG-CG 3.96Å; W110-F128 HydrophobicContact CG-CZ 4.29Å; W110-F128 AromaticContact NE1-CD2 3.96Å; I124-F128 HydrophobicContact CG2-CD2 3.8Å; I124-F128 HydrophobicContact CG2-CE2 3.63Å; I124-F128 WeakPolarHBondContact O-CD2 3.41Å; I124-F128 PolarHBondContact O-N 3.48Å; N125-F128 PolarHBondContact O-N 3.03Å; F128-K130 PolarHBondContact O-N 2.79Å; F128-K130 VanDerWaalsContact O-N 3.16Å; F128-Y131 PolarHBondContact O-N 3.13Å; F128-A132 PolarHBondContact O-N 3.32Å |
| 129 | R | 87.2 | Confident | 87.9 | Confident | 98 Ų | 98 | 41.4 Ų | 41.4 | 37% | 0.37 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.9 | -23 | 176.6 | -156.7 | 171.6 | -170.6 | -172.4 | 0.6 | 113.2 | N125 E126 L127 Y131 A132 E159 | N125-R129 WeakPolarHBondContact O-CB 3.38Å; N125-R129 PolarHBondContact O-N 2.9Å; E126-R129 PolarHBondContact O-N 3.42Å; L127-R129 VanDerWaalsContact C-N 3.26Å; L127-R129 PolarHBondContact O-N 3.45Å; R129-Y131 VanDerWaalsContact C-N 3.33Å; R129-A132 WeakPolarHBondContact CA-O 3.22Å; R129-A132 CarbonylContact O-C 3.53Å; R129-E159 IonicContact NH1-OE1 3.9Å |
| 130 | K | 86.4 | Confident | 88.2 | Confident | 167 Ų | 167 | 36.1 Ų | 36.1 | 73% | 0.726 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -33.5 | 172.6 | -61.3 | 179.1 | -178.2 | 174.6 | 0 | 112.3 | L127 F128 | L127-K130 WeakPolarHBondContact O-CB 3.38Å; L127-K130 PolarHBondContact O-N 3.35Å; F128-K130 PolarHBondContact O-N 2.79Å; F128-K130 VanDerWaalsContact O-N 3.16Å |
| 131 | Y | 84.5 | Confident | 88.1 | Confident | 74 Ų | 74 | 37.1 Ų | 37.1 | 29% | 0.29 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -42.1 | 178.7 | -62.6 | -78.3 | 0 | 0 | 0 | 111.9 | L91 E92 F128 R129 | L91-Y131 HydrophobicContact CD1-CE2 4.36Å; L91-Y131 HydrophobicContact CD2-CD1 4.24Å; L91-Y131 HydrophobicContact CD2-CE1 3.92Å; L91-Y131 HydrophobicContact CD2-CE2 4.19Å; E92-Y131 HydrophobicContact CG-CE1 4.04Å; E92-Y131 PolarHBondContact OE1-OH 3.39Å; F128-Y131 PolarHBondContact O-N 3.13Å; R129-Y131 VanDerWaalsContact C-N 3.33Å |
| 132 | A | 82.2 | Confident | 87.6 | Confident | 8 Ų | 8 | 39 Ų | 39 | 7% | 0.066 | 19% | 0.188 | C | C | . | . | trans | -130 | 112.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | I107 F128 R129 N134 S135 | I107-A132 HydrophobicContact CG2-CB 4.39Å; F128-A132 PolarHBondContact O-N 3.32Å; R129-A132 WeakPolarHBondContact CA-O 3.22Å; R129-A132 CarbonylContact O-C 3.53Å; A132-N134 PolarHBondContact O-N 2.89Å; A132-N134 VanDerWaalsContact O-N 3.09Å; A132-S135 PolarHBondContact O-N 3.36Å; A132-S135 VanDerWaalsContact O-N 3.13Å | ||
| 133 | P | 79.7 | Confident | 86.9 | Confident | 83 Ų | 83 | 43 Ų | 43 | 54% | 0.539 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -23.8 | -177.7 | 24.4 | -34 | 0 | 0 | 0 | 113.2 | Q18 | Q18-P133 PolarHBondContact NE2-O 3.14Š|
| 134 | N | 82.8 | Confident | 85.9 | Confident | 33 Ų | 33 | 42.1 Ų | 42.1 | 18% | 0.176 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | 47.7 | 176.8 | -63.3 | -6.1 | 0 | 0 | 0 | 111 | Q18 T19 I21 A132 V136 | Q18-N134 WeakPolarHBondContact CG-OD1 3.35Å; Q18-N134 PolarHBondContact NE2-OD1 2.82Å; Q18-N134 VanDerWaalsContact NE2-OD1 3.17Å; T19-N134 PolarHBondContact O-ND2 3.02Å; I21-N134 HydrophobicContact CD1-CB 4.07Å; A132-N134 PolarHBondContact O-N 2.89Å; A132-N134 VanDerWaalsContact O-N 3.09Å; N134-V136 PolarHBondContact O-N 3.22Å |
| 135 | S | 90.1 | Very high | 84.7 | Confident | 6 Ų | 6 | 49.9 Ų | 49.9 | 4% | 0.042 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -58.2 | 121.2 | 176.7 | 177.5 | 0 | 0 | 0 | 0 | 111.1 | N125 A132 | N125-S135 WeakPolarHBondContact OD1-CB 3.48Å; N125-S135 PolarHBondContact OD1-OG 3.06Å; A132-S135 PolarHBondContact O-N 3.36Å; A132-S135 VanDerWaalsContact O-N 3.13Å |
| 136 | V | 92.6 | Very high | 83.2 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 137.8 | 172.3 | 173.7 | 0 | 0 | 0 | 0 | 109.5 | I21 V24 L64 V108 G109 W110 N134 V138 A154 L175 | I21-V136 HydrophobicContact CD1-CG2 3.57Å; V24-V136 HydrophobicContact CG2-CG1 3.99Å; L64-V136 HydrophobicContact CD2-CB 3.86Å; L64-V136 HydrophobicContact CD2-CG1 4.31Å; L64-V136 HydrophobicContact CD2-CG2 3.62Å; V108-V136 PolarHBondContact O-N 3.27Å; G109-V136 CarbonylContact C-O 3.58Å; G109-V136 WeakPolarHBondContact CA-O 3.34Å; W110-V136 PolarHBondContact N-O 3.19Å; N134-V136 PolarHBondContact O-N 3.22Å; V136-V138 HydrophobicContact CG1-CG2 4.17Å; V136-A154 HydrophobicContact CG1-CB 4.36Å; V136-L175 HydrophobicContact CG2-CD1 4.3Å |
| 137 | L | 93.7 | Very high | 81.9 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 126 | 169.7 | 165.2 | 57.7 | 0 | 0 | 0 | 109 | W110 H112 L117 D121 V139 A154 Y155 F172 | W110-L137 HydrophobicContact CD2-CD1 3.92Å; W110-L137 HydrophobicContact CE3-CD1 3.84Å; W110-L137 HydrophobicContact CH2-CD1 3.72Å; W110-L137 HydrophobicContact CH2-CD2 4.18Å; W110-L137 HydrophobicContact CH2-CG 4.49Å; W110-L137 HydrophobicContact CZ2-CB 4.27Å; W110-L137 HydrophobicContact CZ2-CD1 3.75Å; W110-L137 HydrophobicContact CZ2-CD2 3.99Å; W110-L137 HydrophobicContact CZ2-CG 4.21Å; W110-L137 HydrophobicContact CZ3-CD1 3.77Å; W110-L137 WeakPolarHBondContact O-CA 3.42Å; H112-L137 WeakPolarHBondContact CD2-CD1 3.33Å; L117-L137 HydrophobicContact CD2-CD2 3.55Å; D121-L137 HydrophobicContact CB-CD2 4.35Å; L137-V139 HydrophobicContact CD1-CG2 4.44Å; L137-V139 HydrophobicContact CD2-CG2 4.43Å; L137-V139 HydrophobicContact CG-CG2 4.26Å; L137-A154 CarbonylContact O-C 3.59Å; L137-A154 WeakPolarHBondContact O-CA 3.37Å; L137-Y155 PolarHBondContact N-O 3.47Å; L137-Y155 PolarHBondContact O-N 3.11Å; L137-F172 HydrophobicContact CB-CE1 4.25Å; L137-F172 HydrophobicContact CD2-CD1 4.4Å; L137-F172 HydrophobicContact CD2-CE1 4.03Å; L137-F172 HydrophobicContact CD2-CE2 4.28Å; L137-F172 HydrophobicContact CD2-CZ 3.97Å |
| 138 | V | 92.8 | Very high | 80.5 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.012 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 119.2 | 168.9 | -176.5 | 0 | 0 | 0 | 0 | 109.8 | V24 V26 L55 W110 Y111 H112 V136 V140 E153 A154 | V24-V138 HydrophobicContact CG1-CG2 4.39Å; V26-V138 HydrophobicContact CG2-CG1 4.42Å; L55-V138 HydrophobicContact CD1-CB 3.8Å; L55-V138 HydrophobicContact CD1-CG2 3.45Å; L55-V138 VanDerWaalsContact CD1-CG2 3.45Å; W110-V138 PolarHBondContact O-N 2.88Å; Y111-V138 WeakPolarHBondContact CA-O 3.37Å; Y111-V138 VanDerWaalsContact CB-O 3.29Å; Y111-V138 WeakPolarHBondContact CB-O 3.43Å; H112-V138 PolarHBondContact N-O 3.44Å; V136-V138 HydrophobicContact CG1-CG2 4.17Å; V138-V140 HydrophobicContact CG1-CG2 4Å; V138-E153 CarbonylContact C-O 3.52Å; V138-E153 WeakPolarHBondContact CA-O 3.48Å; V138-A154 HydrophobicContact CG2-CB 4.41Å |
| 139 | V | 92.2 | Very high | 79.6 | Confident | 6 Ų | 6 | 65.2 Ų | 65.2 | 4% | 0.036 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 119.2 | 172.3 | -173.2 | 0 | 0 | 0 | 0 | 107.8 | H112 L117 L137 E153 Y155 | H112-V139 WeakPolarHBondContact NE2-CG2 3.42Å; L117-V139 HydrophobicContact CD2-CG2 3.86Å; L137-V139 HydrophobicContact CD1-CG2 4.44Å; L137-V139 HydrophobicContact CD2-CG2 4.43Å; L137-V139 HydrophobicContact CG-CG2 4.26Å; V139-E153 HydrophobicContact CB-CB 4.41Å; V139-E153 PolarHBondContact N-O 2.76Å; V139-E153 PolarHBondContact O-N 2.85Å; V139-Y155 HydrophobicContact CB-CE2 4.39Å; V139-Y155 HydrophobicContact CG2-CD2 3.82Å; V139-Y155 HydrophobicContact CG2-CE2 3.67Å |
| 140 | V | 89.7 | Confident | 79.2 | Confident | 5 Ų | 5 | 64.8 Ų | 64.8 | 3% | 0.03 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 117.5 | 174.8 | -176.5 | 0 | 0 | 0 | 0 | 108.1 | L31 V34 H112 S113 G114 V138 V142 P151 | L31-V140 HydrophobicContact CD2-CG1 4.13Å; L31-V140 HydrophobicContact CD2-CG2 4.14Å; V34-V140 HydrophobicContact CB-CG1 4.38Å; V34-V140 HydrophobicContact CG1-CB 4.07Å; V34-V140 HydrophobicContact CG1-CG1 4.2Å; V34-V140 HydrophobicContact CG2-CG2 4.25Å; H112-V140 PolarHBondContact O-N 2.97Å; S113-V140 CarbonylContact C-O 3.51Å; S113-V140 WeakPolarHBondContact CA-O 2.98Å; G114-V140 PolarHBondContact N-O 3.47Å; V138-V140 HydrophobicContact CG1-CG2 4Å; V140-V142 PolarHBondContact O-N 3Å; V140-P151 WeakPolarHBondContact CA-O 3.31Å |
| 141 | D | 84.3 | Confident | 78.9 | Confident | 26 Ų | 26 | 59 Ų | 59 | 14% | 0.139 | 31% | 0.306 | C | S | . | . | trans | -88.8 | 107.4 | 177.9 | -166.4 | -14.2 | 0 | 0 | 0 | 110.8 | R143 R144 P151 | D141-R143 VanDerWaalsContact C-N 3.26Å; D141-R143 PolarHBondContact O-N 2.81Å; D141-R143 PolarHBondContact OD1-N 2.83Å; D141-R144 HydrophobicContact CB-CG 3.76Å; D141-R144 VanDerWaalsContact OD2-CG 3.29Å; D141-R144 WeakPolarHBondContact OD2-CG 3.28Å; D141-R144 IonicContact OD2-NE 2.82Å; D141-R144 PolarHBondContact OD2-NE 3.43Å; D141-R144 VanDerWaalsContact OD2-NE 3.16Å; D141-P151 PolarHBondContact N-O 3.08Å; D141-P151 VanDerWaalsContact N-O 3.11Å | ||
| 142 | V | 79.2 | Confident | 79 | Confident | 38 Ų | 38 | 55.7 Ų | 55.7 | 23% | 0.23 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -14.2 | -176.7 | -174 | 0 | 0 | 0 | 0 | 112.1 | V34 V35 Y38 V140 | V34-V142 HydrophobicContact CG1-CG2 4.24Å; V35-V142 HydrophobicContact CG2-CG1 4.28Å; Y38-V142 HydrophobicContact CD1-CB 4.16Å; Y38-V142 HydrophobicContact CD1-CG1 3.51Å; Y38-V142 HydrophobicContact CD2-CG2 4.36Å; Y38-V142 HydrophobicContact CE1-CB 4.48Å; Y38-V142 HydrophobicContact CE1-CG1 4.1Å; Y38-V142 HydrophobicContact CG-CB 4.2Å; Y38-V142 HydrophobicContact CG-CG1 3.84Å; Y38-V142 HydrophobicContact CG-CG2 4.11Å; V140-V142 PolarHBondContact O-N 3Å |
| 143 | R | 73.3 | Confident | 79.4 | Confident | 139 Ų | 139 | 58 Ų | 58 | 53% | 0.525 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 2.6 | -174.5 | -61 | -173.7 | -174 | -174.7 | 5.9 | 113.7 | Y38 Q48 D141 K145 | Y38-R143 PolarHBondContact OH-NE 3.04Å; Y38-R143 VanDerWaalsContact OH-NE 3.08Å; Y38-R143 PolarHBondContact OH-NH2 2.96Å; Q48-R143 VanDerWaalsContact OE1-CZ 3.24Å; D141-R143 VanDerWaalsContact C-N 3.26Å; D141-R143 PolarHBondContact O-N 2.81Å; D141-R143 PolarHBondContact OD1-N 2.83Å; R143-K145 PolarHBondContact O-N 3.2Å |
| 144 | R | 68.1 | Low | 80 | Confident | 67 Ų | 67 | 54 Ų | 54 | 25% | 0.253 | 28% | 0.277 | S | S | . | . | trans | -60.8 | 137.1 | -178.4 | -85.4 | 179.1 | -166.6 | -169.3 | 4.5 | 111 | D141 D148 L150 E153 | D141-R144 HydrophobicContact CB-CG 3.76Å; D141-R144 VanDerWaalsContact OD2-CG 3.29Å; D141-R144 WeakPolarHBondContact OD2-CG 3.28Å; D141-R144 IonicContact OD2-NE 2.82Å; D141-R144 PolarHBondContact OD2-NE 3.43Å; D141-R144 VanDerWaalsContact OD2-NE 3.16Å; R144-D148 HydrophobicContact CB-CB 4.18Å; R144-D148 HydrophobicContact CG-CB 3.95Å; R144-L150 PolarHBondContact NH1-O 3.21Å; R144-E153 IonicContact CZ-OE1 2.78Å; R144-E153 IonicContact NH1-OE1 3.38Å; R144-E153 IonicContact NH2-OE1 3.84Å; R144-E153 PolarHBondContact NH2-OE1 2.83Å | ||
| 145 | K | 64 | Low | 80.4 | Confident | 163 Ų | 163 | 54 Ų | 54 | 71% | 0.709 | 27% | 0.274 | S | S | * | . | trans | -74.5 | 148.8 | 165.7 | -64.6 | 179.7 | 179.9 | 178.9 | 0 | 107.5 | R143 I147 D148 | R143-K145 PolarHBondContact O-N 3.2Å; K145-I147 PolarHBondContact O-N 3.43Å; K145-D148 WeakPolarHBondContact O-CB 3.39Å; K145-D148 PolarHBondContact O-N 3.04Å | ||
| 146 | E | 59.9 | Low | 80.4 | Confident | 205 Ų | 205 | 55.1 Ų | 55.1 | 96% | 0.958 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -16.5 | -175.7 | -64.1 | 174.1 | 170.1 | 0 | 0 | 115.3 | D148 | E146-D148 VanDerWaalsContact C-N 3.32Š|
| 147 | I | 59.1 | Low | 80.2 | Confident | 139 Ų | 139 | 56.3 Ų | 56.3 | 71% | 0.713 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -17.2 | -176.8 | -51.1 | 168 | 0 | 0 | 0 | 111.5 | K145 G149 | K145-I147 PolarHBondContact O-N 3.43Å; I147-G149 PolarHBondContact O-N 3.44Å; I147-G149 VanDerWaalsContact O-N 3.15Å |
| 148 | D | 59.3 | Low | 79.8 | Confident | 40 Ų | 40 | 58.9 Ų | 58.9 | 21% | 0.214 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -95.3 | 58.6 | -164.3 | -70.8 | 12.8 | 0 | 0 | 0 | 113.2 | R144 K145 E146 R220 | R144-D148 HydrophobicContact CB-CB 4.18Å; R144-D148 HydrophobicContact CG-CB 3.95Å; K145-D148 WeakPolarHBondContact O-CB 3.39Å; K145-D148 PolarHBondContact O-N 3.04Å; E146-D148 VanDerWaalsContact C-N 3.32Å; D148-R220 VanDerWaalsContact CG-NH2 3.34Å; D148-R220 IonicContact OD1-CZ 3.74Å; D148-R220 IonicContact OD1-NH1 2.75Å; D148-R220 PolarHBondContact OD1-NH1 2.99Å; D148-R220 IonicContact OD1-NH2 3.23Å; D148-R220 IonicContact OD2-CZ 2.67Å; D148-R220 IonicContact OD2-NH1 3.01Å; D148-R220 PolarHBondContact OD2-NH1 3.46Å; D148-R220 VanDerWaalsContact OD2-NH1 3.11Å; D148-R220 IonicContact OD2-NH2 3.97Å; D148-R220 PolarHBondContact OD2-NH2 2.97Å |
| 149 | G | 71 | Confident | 79.4 | Confident | 70 Ų | 70 | 63.7 Ų | 63.7 | 72% | 0.722 | 33% | 0.327 | S | S | * | . | S | Bend | trans | 48.5 | -146 | 168 | 0 | 0 | 0 | 0 | 0 | 115 | I147 | I147-G149 PolarHBondContact O-N 3.44Å; I147-G149 VanDerWaalsContact O-N 3.15Å |
| 150 | L | 77.6 | Confident | 78.6 | Confident | 89 Ų | 89 | 65.4 Ų | 65.4 | 47% | 0.466 | 34% | 0.335 | S | S | . | . | trans | -73.1 | 129.1 | 174 | -74.1 | 154 | 0 | 0 | 0 | 109.2 | R144 T152 V179 | R144-L150 PolarHBondContact NH1-O 3.21Å; L150-T152 PolarHBondContact O-N 3.04Å; L150-V179 HydrophobicContact CD2-CB 4.4Å; L150-V179 HydrophobicContact CD2-CG2 3.89Å | ||
| 151 | P | 81.8 | Confident | 78.1 | Confident | 46 Ų | 46 | 70.4 Ų | 70.4 | 30% | 0.299 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -76.3 | 2.1 | 178.7 | 32.1 | -35.5 | 0 | 0 | 0 | 113.3 | V140 D141 | V140-P151 WeakPolarHBondContact CA-O 3.31Å; D141-P151 PolarHBondContact N-O 3.08Å; D141-P151 VanDerWaalsContact N-O 3.11Å |
| 152 | T | 85.9 | Confident | 77.4 | Confident | 4 Ų | 4 | 72.5 Ų | 72.5 | 3% | 0.025 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 123.5 | -173.6 | 54.1 | 0 | 0 | 0 | 0 | 111.4 | L31 L150 S177 V179 | L31-T152 HydrophobicContact CD1-CG2 4.2Å; L31-T152 HydrophobicContact CD2-CG2 3.3Å; L31-T152 HydrophobicContact CG-CG2 4.37Å; L150-T152 PolarHBondContact O-N 3.04Å; T152-S177 WeakPolarHBondContact CB-OG 3.24Å; T152-S177 PolarHBondContact O-OG 3.46Å; T152-S177 PolarHBondContact OG1-OG 3.22Å; T152-V179 HydrophobicContact CG2-CG2 4.37Å |
| 153 | E | 89.5 | Confident | 77 | Confident | 57 Ų | 57 | 78.2 Ų | 78.2 | 27% | 0.266 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 126 | 170.8 | -71.7 | 165.8 | -162.7 | 0 | 0 | 108.7 | V138 V139 R144 Y155 | V138-E153 CarbonylContact C-O 3.52Å; V138-E153 WeakPolarHBondContact CA-O 3.48Å; V139-E153 HydrophobicContact CB-CB 4.41Å; V139-E153 PolarHBondContact N-O 2.76Å; V139-E153 PolarHBondContact O-N 2.85Å; R144-E153 IonicContact CZ-OE1 2.78Å; R144-E153 IonicContact NH1-OE1 3.38Å; R144-E153 IonicContact NH2-OE1 3.84Å; R144-E153 PolarHBondContact NH2-OE1 2.83Å; E153-Y155 HydrophobicContact CB-CE2 3.71Å; E153-Y155 PolarHBondContact OE2-OH 3.31Å |
| 154 | A | 92.4 | Very high | 76.9 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 142.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | V24 V136 L137 V138 H174 L175 | V24-A154 HydrophobicContact CB-CB 3.89Å; V24-A154 HydrophobicContact CG1-CB 4.29Å; V24-A154 HydrophobicContact CG2-CB 3.78Å; V136-A154 HydrophobicContact CG1-CB 4.36Å; L137-A154 CarbonylContact O-C 3.59Å; L137-A154 WeakPolarHBondContact O-CA 3.37Å; V138-A154 HydrophobicContact CG2-CB 4.41Å; A154-H174 PolarHBondContact O-ND1 3.12Å; A154-L175 HydrophobicContact CB-CB 4.06Å; A154-L175 PolarHBondContact O-N 3.33Å |
| 155 | Y | 92.4 | Very high | 77.1 | Confident | 32 Ų | 32 | 76.8 Ų | 76.8 | 13% | 0.125 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 148.9 | -179.5 | -64 | -80.1 | 0 | 0 | 0 | 111.1 | L117 L137 V139 E153 F172 D173 H174 | L117-Y155 HydrophobicContact CD1-CD1 4.36Å; L117-Y155 HydrophobicContact CD1-CD2 4.37Å; L117-Y155 HydrophobicContact CD1-CE1 4.01Å; L117-Y155 HydrophobicContact CD1-CE2 4Å; L117-Y155 HydrophobicContact CD2-CD2 4.12Å; L117-Y155 HydrophobicContact CD2-CE2 4.17Å; L117-Y155 HydrophobicContact CG-CE2 4.28Å; L137-Y155 PolarHBondContact N-O 3.47Å; L137-Y155 PolarHBondContact O-N 3.11Å; V139-Y155 HydrophobicContact CB-CE2 4.39Å; V139-Y155 HydrophobicContact CG2-CD2 3.82Å; V139-Y155 HydrophobicContact CG2-CE2 3.67Å; E153-Y155 HydrophobicContact CB-CE2 3.71Å; E153-Y155 PolarHBondContact OE2-OH 3.31Å; Y155-F172 HydrophobicContact CD1-CB 4.06Å; Y155-F172 HydrophobicContact CG-CB 4.24Å; Y155-D173 VanDerWaalsContact CA-O 3.31Å; Y155-D173 WeakPolarHBondContact CA-O 3.37Å; Y155-H174 HydrophobicContact CD1-CB 4.2Å; Y155-H174 HydrophobicContact CE1-CB 3.99Å; Y155-H174 AromaticContact CE1-ND1 3.81Å |
| 156 | I | 90.3 | Very high | 77.7 | Confident | 29 Ų | 29 | 71 Ų | 71 | 15% | 0.149 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 136.7 | 171.9 | -169.9 | 166.1 | 0 | 0 | 0 | 109.5 | V158 F172 D173 L175 | I156-V158 HydrophobicContact CG2-CG2 4.02Å; I156-V158 PolarHBondContact O-N 3.37Å; I156-F172 WeakPolarHBondContact O-CA 3.34Å; I156-D173 HydrophobicContact CG2-CB 4.26Å; I156-D173 PolarHBondContact N-O 2.75Å; I156-D173 PolarHBondContact O-N 2.97Å; I156-L175 HydrophobicContact CB-CD1 3.79Å; I156-L175 HydrophobicContact CB-CG 4.11Å; I156-L175 HydrophobicContact CG2-CD1 4Å; I156-L175 HydrophobicContact CG2-CD2 3.92Å; I156-L175 HydrophobicContact CG2-CG 3.81Å |
| 157 | A | 87.6 | Confident | 78.6 | Confident | 26 Ų | 26 | 66.5 Ų | 66.5 | 22% | 0.215 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 120.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | N125 S171 F172 | N125-A157 WeakPolarHBondContact ND2-CB 3.41Å; A157-S171 WeakPolarHBondContact CA-O 3.32Å; A157-F172 HydrophobicContact CB-CD1 4.22Å; A157-F172 HydrophobicContact CB-CE1 3.95Å |
| 158 | V | 85.4 | Confident | 79.6 | Confident | 53 Ų | 53 | 64.2 Ų | 64.2 | 32% | 0.321 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 140.9 | 175.5 | -175.4 | 0 | 0 | 0 | 0 | 108 | I156 E160 S171 D173 | I156-V158 HydrophobicContact CG2-CG2 4.02Å; I156-V158 PolarHBondContact O-N 3.37Å; V158-E160 HydrophobicContact CG1-CG 4.46Å; V158-E160 PolarHBondContact O-N 3.49Å; V158-S171 PolarHBondContact N-O 3.19Å; V158-S171 PolarHBondContact O-N 2.89Å; V158-S171 VanDerWaalsContact O-O 3.08Å; V158-D173 HydrophobicContact CG2-CB 4Å |
| 159 | E | 84 | Confident | 80.7 | Confident | 103 Ų | 103 | 65.2 Ų | 65.2 | 48% | 0.481 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 103.7 | 168.9 | -74.9 | 166.2 | -160.1 | 0 | 0 | 106.9 | R129 K170 | R129-E159 IonicContact NH1-OE1 3.9Å; E159-K170 HydrophobicContact CG-CD 4.5Å; E159-K170 HydrophobicContact CG-CG 3.71Å; E159-K170 VanDerWaalsContact OE1-CE 3.31Å; E159-K170 WeakPolarHBondContact OE1-CE 3.37Å |
| 160 | E | 76.9 | Confident | 81.3 | Confident | 42 Ų | 42 | 65.5 Ų | 65.5 | 20% | 0.196 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 127.2 | 176.2 | -75.6 | -174.7 | 146.7 | 0 | 0 | 109.2 | V158 T169 S171 R242 | V158-E160 HydrophobicContact CG1-CG 4.46Å; V158-E160 PolarHBondContact O-N 3.49Å; E160-T169 PolarHBondContact N-O 3.3Å; E160-T169 PolarHBondContact O-N 3.1Å; E160-S171 VanDerWaalsContact CG-OG 3.25Å; E160-S171 WeakPolarHBondContact CG-OG 3.34Å; E160-S171 PolarHBondContact OE2-OG 3.15Å; E160-R242 IonicContact OE1-NH1 3.69Å; E160-R242 PolarHBondContact OE1-NH1 3.26Å; E160-R242 VanDerWaalsContact OE1-NH1 3.09Å |
| 161 | V | 77.7 | Confident | 81.6 | Confident | 111 Ų | 111 | 62.6 Ų | 62.6 | 67% | 0.673 | 37% | 0.365 | S | S | * | . | trans | -88.3 | 114.8 | 167.2 | -172.9 | 0 | 0 | 0 | 0 | 105.5 | T168 | V161-T168 HydrophobicContact CG2-CG2 3.95Š| ||
| 162 | H | 71.1 | Confident | 82 | Confident | 69 Ų | 69 | 62.3 Ų | 62.3 | 32% | 0.319 | 36% | 0.359 | S | S | . | . | trans | -77.4 | 141 | 174.7 | -61.6 | 109.8 | 0 | 0 | 0 | 110.5 | D164 G165 S166 T169 | H162-D164 WeakPolarHBondContact CB-OD1 3.46Å; H162-D164 IonicContact CG-OD1 3.53Å; H162-D164 PolarHBondContact O-N 3.01Å; H162-G165 PolarHBondContact O-N 3.15Å; H162-S166 VanDerWaalsContact CB-OG 3.3Å; H162-S166 WeakPolarHBondContact CB-OG 3.41Å; H162-S166 PolarHBondContact ND1-OG 3.38Å; H162-T169 PolarHBondContact CE1-OG1 3.44Å | ||
| 163 | D | 70.1 | Confident | 82 | Confident | 158 Ų | 158 | 64.3 Ų | 64.3 | 85% | 0.845 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -11.7 | 176.2 | -70.1 | -26.9 | 0 | 0 | 0 | 113 | G165 | D163-G165 PolarHBondContact O-N 3Š|
| 164 | D | 70.5 | Confident | 82 | Confident | 107 Ų | 107 | 66.4 Ų | 66.4 | 57% | 0.572 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -1.6 | 179.3 | 68.4 | -3.4 | 0 | 0 | 0 | 113.8 | H162 S166 | H162-D164 WeakPolarHBondContact CB-OD1 3.46Å; H162-D164 IonicContact CG-OD1 3.53Å; H162-D164 PolarHBondContact O-N 3.01Å; D164-S166 VanDerWaalsContact C-N 3.26Å; D164-S166 PolarHBondContact O-N 2.89Å; D164-S166 WeakPolarHBondContact OD1-CB 3.37Å; D164-S166 PolarHBondContact OD1-N 3.07Å; D164-S166 PolarHBondContact OD1-OG 2.81Å; D164-S166 PolarHBondContact OD2-OG 3.2Å |
| 165 | G | 71.9 | Confident | 81.9 | Confident | 70 Ų | 70 | 67.1 Ų | 67.1 | 72% | 0.722 | 38% | 0.383 | S | S | * | . | trans | 77.2 | 7.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | H162 D163 | H162-G165 PolarHBondContact O-N 3.15Å; D163-G165 PolarHBondContact O-N 3Å | ||
| 166 | S | 76.5 | Confident | 81.9 | Confident | 40 Ų | 40 | 73.5 Ų | 73.5 | 28% | 0.28 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 154.8 | 170.9 | 66 | 0 | 0 | 0 | 0 | 111.2 | H162 D164 | H162-S166 VanDerWaalsContact CB-OG 3.3Å; H162-S166 WeakPolarHBondContact CB-OG 3.41Å; H162-S166 PolarHBondContact ND1-OG 3.38Å; D164-S166 VanDerWaalsContact C-N 3.26Å; D164-S166 PolarHBondContact O-N 2.89Å; D164-S166 WeakPolarHBondContact OD1-CB 3.37Å; D164-S166 PolarHBondContact OD1-N 3.07Å; D164-S166 PolarHBondContact OD1-OG 2.81Å; D164-S166 PolarHBondContact OD2-OG 3.2Å |
| 167 | P | 80.5 | Confident | 81.9 | Confident | 112 Ų | 112 | 72.7 Ų | 72.7 | 73% | 0.727 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 148.9 | 176.3 | -24.3 | 33.8 | 0 | 0 | 0 | 111.5 | T169 | P167-T169 PolarHBondContact O-N 3.23Å; P167-T169 VanDerWaalsContact O-N 3.08Å |
| 168 | T | 80.3 | Confident | 82 | Confident | 91 Ų | 91 | 73.9 Ų | 73.9 | 56% | 0.558 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 116.4 | 176.9 | 51.1 | 0 | 0 | 0 | 0 | 110.1 | V161 | V161-T168 HydrophobicContact CG2-CG2 3.95Š|
| 169 | T | 81.9 | Confident | 82.3 | Confident | 61 Ų | 61 | 74 Ų | 74 | 37% | 0.374 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 142.4 | 175.3 | 60.8 | 0 | 0 | 0 | 0 | 110 | E160 H162 P167 S171 | E160-T169 PolarHBondContact N-O 3.3Å; E160-T169 PolarHBondContact O-N 3.1Å; H162-T169 PolarHBondContact CE1-OG1 3.44Å; P167-T169 PolarHBondContact O-N 3.23Å; P167-T169 VanDerWaalsContact O-N 3.08Å; T169-S171 PolarHBondContact O-N 3.43Å |
| 170 | K | 83.4 | Confident | 82.7 | Confident | 76 Ų | 76 | 73.7 Ų | 73.7 | 33% | 0.33 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 113.4 | 168.4 | -69.2 | 176.5 | -174.1 | 178.4 | 0 | 107.9 | I122 E126 E159 | I122-K170 WeakPolarHBondContact CD1-O 3.27Å; I122-K170 HydrophobicContact CG2-CB 3.95Å; I122-K170 HydrophobicContact CG2-CD 4.4Å; E126-K170 WeakPolarHBondContact OE1-CD 3.43Å; E126-K170 IonicContact OE1-NZ 3.09Å; E126-K170 PolarHBondContact OE1-NZ 3.26Å; E159-K170 HydrophobicContact CG-CD 4.5Å; E159-K170 HydrophobicContact CG-CG 3.71Å; E159-K170 VanDerWaalsContact OE1-CE 3.31Å; E159-K170 WeakPolarHBondContact OE1-CE 3.37Å |
| 171 | S | 84.6 | Confident | 83.2 | Confident | 27 Ų | 27 | 73.2 Ų | 73.2 | 19% | 0.189 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 163.1 | 175 | 61.9 | 0 | 0 | 0 | 0 | 109.8 | A157 V158 E160 T169 | A157-S171 WeakPolarHBondContact CA-O 3.32Å; V158-S171 PolarHBondContact N-O 3.19Å; V158-S171 PolarHBondContact O-N 2.89Å; V158-S171 VanDerWaalsContact O-O 3.08Å; E160-S171 VanDerWaalsContact CG-OG 3.25Å; E160-S171 WeakPolarHBondContact CG-OG 3.34Å; E160-S171 PolarHBondContact OE2-OG 3.15Å; T169-S171 PolarHBondContact O-N 3.43Å |
| 172 | F | 88.8 | Confident | 83.8 | Confident | 41 Ų | 41 | 73.9 Ų | 73.9 | 18% | 0.18 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 116.5 | 173.2 | -78.7 | -66.5 | 0 | 0 | 0 | 108.7 | D121 I122 N125 L137 Y155 I156 A157 | D121-F172 HydrophobicContact CB-CE2 3.85Å; D121-F172 HydrophobicContact CB-CZ 4.21Å; I122-F172 HydrophobicContact CG1-CD2 4.34Å; I122-F172 HydrophobicContact CG1-CE2 3.75Å; I122-F172 HydrophobicContact CG1-CZ 4.48Å; N125-F172 HydrophobicContact CB-CE1 4.33Å; N125-F172 HydrophobicContact CB-CZ 4.02Å; L137-F172 HydrophobicContact CB-CE1 4.25Å; L137-F172 HydrophobicContact CD2-CD1 4.4Å; L137-F172 HydrophobicContact CD2-CE1 4.03Å; L137-F172 HydrophobicContact CD2-CE2 4.28Å; L137-F172 HydrophobicContact CD2-CZ 3.97Å; Y155-F172 HydrophobicContact CD1-CB 4.06Å; Y155-F172 HydrophobicContact CG-CB 4.24Å; I156-F172 WeakPolarHBondContact O-CA 3.34Å; A157-F172 HydrophobicContact CB-CD1 4.22Å; A157-F172 HydrophobicContact CB-CE1 3.95Å |
| 173 | D | 87.1 | Confident | 84.7 | Confident | 46 Ų | 46 | 78.3 Ų | 78.3 | 25% | 0.246 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 138.1 | 171.4 | -161.7 | 4.6 | 0 | 0 | 0 | 109 | Y155 I156 V158 R242 | Y155-D173 VanDerWaalsContact CA-O 3.31Å; Y155-D173 WeakPolarHBondContact CA-O 3.37Å; I156-D173 HydrophobicContact CG2-CB 4.26Å; I156-D173 PolarHBondContact N-O 2.75Å; I156-D173 PolarHBondContact O-N 2.97Å; V158-D173 HydrophobicContact CG2-CB 4Å; D173-R242 IonicContact OD2-NH1 2.59Å; D173-R242 IonicContact OD2-NH2 3.87Å |
| 174 | H | 89.6 | Confident | 85.7 | Confident | 101 Ų | 101 | 74.6 Ų | 74.6 | 47% | 0.468 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 129.4 | -177.9 | -178.8 | 69.5 | 0 | 0 | 0 | 110.5 | A154 Y155 | A154-H174 PolarHBondContact O-ND1 3.12Å; Y155-H174 HydrophobicContact CD1-CB 4.2Å; Y155-H174 HydrophobicContact CE1-CB 3.99Å; Y155-H174 AromaticContact CE1-ND1 3.81Å |
| 175 | L | 89.7 | Confident | 86.6 | Confident | 15 Ų | 15 | 71.1 Ų | 71.1 | 8% | 0.079 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 141.8 | 172.3 | -69.5 | -178.6 | 0 | 0 | 0 | 110 | I21 V24 V136 A154 I156 S177 | I21-L175 HydrophobicContact CB-CD1 4.37Å; I21-L175 HydrophobicContact CG2-CD1 4.09Å; I21-L175 WeakPolarHBondContact O-CD2 3.26Å; V24-L175 HydrophobicContact CG2-CB 4.26Å; V24-L175 HydrophobicContact CG2-CD1 3.95Å; V136-L175 HydrophobicContact CG2-CD1 4.3Å; A154-L175 HydrophobicContact CB-CB 4.06Å; A154-L175 PolarHBondContact O-N 3.33Å; I156-L175 HydrophobicContact CB-CD1 3.79Å; I156-L175 HydrophobicContact CB-CG 4.11Å; I156-L175 HydrophobicContact CG2-CD1 4Å; I156-L175 HydrophobicContact CG2-CD2 3.92Å; I156-L175 HydrophobicContact CG2-CG 3.81Å; L175-S177 PolarHBondContact O-N 2.94Å; L175-S177 VanDerWaalsContact O-N 3.07Å |
| 176 | R | 91.6 | Very high | 87.4 | Confident | 165 Ų | 165 | 73.5 Ų | 73.5 | 62% | 0.623 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 116 | 173 | 179.9 | 174.5 | 171.5 | 168 | 0.1 | 109.7 | K23 V24 E178 | K23-R176 WeakPolarHBondContact CA-O 3.45Å; V24-R176 PolarHBondContact N-O 2.8Å; R176-E178 IonicContact CZ-OE1 2.84Å; R176-E178 IonicContact NE-OE1 3.21Å; R176-E178 PolarHBondContact NE-OE1 3.31Å; R176-E178 IonicContact NH2-OE1 2.72Å; R176-E178 PolarHBondContact NH2-OE1 2.89Å |
| 177 | S | 90.3 | Very high | 88.1 | Confident | 12 Ų | 12 | 76.1 Ų | 76.1 | 8% | 0.084 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 136.6 | 175.2 | 176.9 | 0 | 0 | 0 | 0 | 110 | V24 T152 L175 | V24-S177 WeakPolarHBondContact O-CA 3.37Å; T152-S177 WeakPolarHBondContact CB-OG 3.24Å; T152-S177 PolarHBondContact O-OG 3.46Å; T152-S177 PolarHBondContact OG1-OG 3.22Å; L175-S177 PolarHBondContact O-N 2.94Å; L175-S177 VanDerWaalsContact O-N 3.07Å |
| 178 | E | 90.8 | Very high | 88.5 | Confident | 51 Ų | 51 | 72.5 Ų | 72.5 | 24% | 0.238 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 151.8 | 167.9 | -71.5 | 178.6 | -151.6 | 0 | 0 | 109.3 | K23 V24 V25 V26 R176 | K23-E178 WeakPolarHBondContact CE-OE1 3.44Å; K23-E178 WeakPolarHBondContact CE-OE2 3.5Å; K23-E178 IonicContact NZ-OE1 3Å; K23-E178 IonicContact NZ-OE2 3.18Å; K23-E178 PolarHBondContact NZ-OE2 3.31Å; V24-E178 PolarHBondContact O-N 3.42Å; V25-E178 WeakPolarHBondContact CA-O 3.35Å; V26-E178 PolarHBondContact N-O 3Å; R176-E178 IonicContact CZ-OE1 2.84Å; R176-E178 IonicContact NE-OE1 3.21Å; R176-E178 PolarHBondContact NE-OE1 3.31Å; R176-E178 IonicContact NH2-OE1 2.72Å; R176-E178 PolarHBondContact NH2-OE1 2.89Å |
| 179 | V | 91.4 | Very high | 89 | Confident | 55 Ų | 55 | 70.6 Ų | 70.6 | 33% | 0.333 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 124.2 | 171.6 | 178.7 | 0 | 0 | 0 | 0 | 107.1 | V26 P28 L31 L150 T152 | V26-V179 VanDerWaalsContact O-CA 3.31Å; V26-V179 WeakPolarHBondContact O-CA 3.29Å; V26-V179 WeakPolarHBondContact O-CG1 3.32Å; P28-V179 HydrophobicContact CG-CG1 4.1Å; L31-V179 HydrophobicContact CD1-CG1 4.28Å; L31-V179 HydrophobicContact CD1-CG2 4.03Å; L150-V179 HydrophobicContact CD2-CB 4.4Å; L150-V179 HydrophobicContact CD2-CG2 3.89Å; T152-V179 HydrophobicContact CG2-CG2 4.37Å |
| 180 | D | 91.1 | Very high | 89.2 | Confident | 97 Ų | 97 | 72.9 Ų | 72.9 | 52% | 0.519 | 38% | 0.383 | S | S | . | . | trans | -134.6 | 152 | 178 | -157.9 | 1.7 | 0 | 0 | 0 | 108.3 | V25 V26 H27 P28 | V25-D180 HydrophobicContact CG1-CB 3.32Å; V26-D180 PolarHBondContact O-N 2.78Å; H27-D180 WeakPolarHBondContact CA-O 3.28Å; P28-D180 WeakPolarHBondContact CD-O 3.49Å | ||
| 181 | A | 88.9 | Confident | 89.5 | Confident | 32 Ų | 32 | 75.1 Ų | 75.1 | 26% | 0.264 | 39% | 0.394 | S | S | . | . | trans | -120.5 | 142.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | P28 E185 E186 | P28-A181 HydrophobicContact CG-CB 4.02Å; A181-E185 HydrophobicContact CB-CB 4.29Å; A181-E186 HydrophobicContact CB-CB 4.32Å | ||
| 182 | E | 89.2 | Confident | 89.7 | Confident | 125 Ų | 125 | 80 Ų | 80 | 58% | 0.584 | 42% | 0.417 | S | S | * | . | trans | -71.4 | 153.4 | 165 | -168.2 | 168.4 | -169.8 | 0 | 0 | 110.1 | A184 E185 E186 | E182-A184 PolarHBondContact O-N 3.11Å; E182-A184 VanDerWaalsContact O-N 3.08Å; E182-E185 HydrophobicContact CB-CG 4.48Å; E182-E185 CarbonylContact O-C 3.52Å; E182-E185 WeakPolarHBondContact O-CA 3.17Å; E182-E185 WeakPolarHBondContact O-CB 3.46Å; E182-E185 PolarHBondContact O-N 2.66Å; E182-E186 PolarHBondContact O-N 2.92Å | ||
| 183 | E | 90.6 | Very high | 89.6 | Confident | 163 Ų | 163 | 81.2 Ų | 81.2 | 76% | 0.762 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -51.3 | -38.5 | -177.7 | -174.8 | 179.9 | -178.3 | 0 | 0 | 112.7 | E186 V187 | E183-E186 PolarHBondContact O-N 2.93Å; E183-V187 WeakPolarHBondContact O-CG2 3.45Å; E183-V187 PolarHBondContact O-N 3.07Å |
| 184 | A | 91 | Very high | 89.4 | Confident | 80 Ų | 80 | 87.1 Ų | 87.1 | 66% | 0.661 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -67.7 | -37.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E182 G188 | E182-A184 PolarHBondContact O-N 3.11Å; E182-A184 VanDerWaalsContact O-N 3.08Å; A184-G188 PolarHBondContact O-N 3.48Å |
| 185 | E | 89.8 | Confident | 89 | Confident | 33 Ų | 33 | 89.9 Ų | 89.9 | 15% | 0.154 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -73.6 | -37 | 176.1 | -64 | -162.9 | 177.8 | 0 | 0 | 111.6 | H27 P28 L29 A181 E182 V187 G188 V189 | H27-E185 IonicContact ND1-OE1 3.07Å; H27-E185 IonicContact ND1-OE2 2.59Å; P28-E185 WeakPolarHBondContact CD-OE2 3.5Å; L29-E185 WeakPolarHBondContact CB-OE1 3.37Å; L29-E185 PolarHBondContact N-OE2 3.15Å; A181-E185 HydrophobicContact CB-CB 4.29Å; E182-E185 HydrophobicContact CB-CG 4.48Å; E182-E185 CarbonylContact O-C 3.52Å; E182-E185 WeakPolarHBondContact O-CA 3.17Å; E182-E185 WeakPolarHBondContact O-CB 3.46Å; E182-E185 PolarHBondContact O-N 2.66Å; E185-V187 VanDerWaalsContact C-N 3.33Å; E185-V187 PolarHBondContact O-N 3.35Å; E185-G188 CarbonylContact O-C 3.55Å; E185-G188 WeakPolarHBondContact O-CA 3.42Å; E185-G188 PolarHBondContact O-N 2.92Å; E185-V189 WeakPolarHBondContact O-CG2 3.23Å; E185-V189 PolarHBondContact O-N 3.28Å |
| 186 | E | 88.3 | Confident | 88.6 | Confident | 121 Ų | 121 | 95.5 Ų | 95.5 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -58.2 | -45.8 | 178.8 | -172.4 | 175.5 | -170.6 | 0 | 0 | 111.1 | A181 E182 E183 G188 V189 E190 | A181-E186 HydrophobicContact CB-CB 4.32Å; E182-E186 PolarHBondContact O-N 2.92Å; E183-E186 PolarHBondContact O-N 2.93Å; E186-G188 VanDerWaalsContact C-N 3.29Å; E186-G188 PolarHBondContact O-N 3.42Å; E186-V189 PolarHBondContact O-N 3.01Å; E186-E190 VanDerWaalsContact O-CB 3.3Å; E186-E190 WeakPolarHBondContact O-CB 3.38Å; E186-E190 PolarHBondContact O-N 2.99Å |
| 187 | V | 90.9 | Very high | 87.5 | Confident | 94 Ų | 94 | 93.9 Ų | 93.9 | 57% | 0.57 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.4 | -39.2 | 175.1 | 176.9 | 0 | 0 | 0 | 0 | 111.5 | E183 E185 H191 | E183-V187 WeakPolarHBondContact O-CG2 3.45Å; E183-V187 PolarHBondContact O-N 3.07Å; E185-V187 VanDerWaalsContact C-N 3.33Å; E185-V187 PolarHBondContact O-N 3.35Å; V187-H191 WeakPolarHBondContact O-CB 3.42Å; V187-H191 PolarHBondContact O-N 2.92Å |
| 188 | G | 89.9 | Confident | 86.3 | Confident | 36 Ų | 36 | 98.5 Ų | 98.5 | 37% | 0.371 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.1 | -47.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | A184 E185 E186 H191 L192 | A184-G188 PolarHBondContact O-N 3.48Å; E185-G188 CarbonylContact O-C 3.55Å; E185-G188 WeakPolarHBondContact O-CA 3.42Å; E185-G188 PolarHBondContact O-N 2.92Å; E186-G188 VanDerWaalsContact C-N 3.29Å; E186-G188 PolarHBondContact O-N 3.42Å; G188-H191 PolarHBondContact O-N 3.4Å; G188-L192 WeakPolarHBondContact O-CG 3.29Å; G188-L192 PolarHBondContact O-N 3.19Å; G188-L192 VanDerWaalsContact O-N 3.09Å |
| 189 | V | 89.6 | Confident | 85.2 | Confident | 51 Ų | 51 | 101.3 Ų | 101.3 | 31% | 0.309 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.1 | -43.7 | 178.6 | 174 | 0 | 0 | 0 | 0 | 110.8 | P28 E185 E186 H191 L192 L193 | P28-V189 HydrophobicContact CB-CG2 3.98Å; P28-V189 HydrophobicContact CG-CG2 4.27Å; E185-V189 WeakPolarHBondContact O-CG2 3.23Å; E185-V189 PolarHBondContact O-N 3.28Å; E186-V189 PolarHBondContact O-N 3.01Å; V189-H191 VanDerWaalsContact C-N 3.27Å; V189-H191 PolarHBondContact O-N 2.96Å; V189-L192 PolarHBondContact O-N 3.4Å; V189-L193 HydrophobicContact CG1-CD1 3.68Å; V189-L193 HydrophobicContact CG1-CG 4.22Å; V189-L193 WeakPolarHBondContact O-CB 3.15Å; V189-L193 VanDerWaalsContact O-CG 3.32Å; V189-L193 WeakPolarHBondContact O-CG 3.04Å; V189-L193 PolarHBondContact O-N 2.89Å |
| 190 | E | 87.2 | Confident | 84.1 | Confident | 110 Ų | 110 | 103.6 Ų | 103.6 | 51% | 0.514 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59.2 | -41.1 | 176 | -171.1 | -170.8 | -179.1 | 0 | 0 | 111.2 | E186 L193 R194 | E186-E190 VanDerWaalsContact O-CB 3.3Å; E186-E190 WeakPolarHBondContact O-CB 3.38Å; E186-E190 PolarHBondContact O-N 2.99Å; E190-L193 PolarHBondContact O-N 3.17Å; E190-R194 WeakPolarHBondContact O-CG 3.37Å; E190-R194 PolarHBondContact O-N 2.73Å |
| 191 | H | 89.3 | Confident | 83.2 | Confident | 123 Ų | 123 | 103.6 Ų | 103.6 | 57% | 0.569 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.6 | -42.8 | 176.8 | -171.7 | 64.4 | 0 | 0 | 0 | 112.4 | V187 G188 V189 L193 R194 | V187-H191 WeakPolarHBondContact O-CB 3.42Å; V187-H191 PolarHBondContact O-N 2.92Å; G188-H191 PolarHBondContact O-N 3.4Å; V189-H191 VanDerWaalsContact C-N 3.27Å; V189-H191 PolarHBondContact O-N 2.96Å; H191-L193 VanDerWaalsContact C-N 3.29Å; H191-L193 PolarHBondContact O-N 3.16Å; H191-R194 WeakPolarHBondContact O-CG 3.49Å |
| 192 | L | 87.9 | Confident | 82.8 | Confident | 128 Ų | 128 | 104.3 Ų | 104.3 | 67% | 0.67 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.7 | -29 | 177.7 | -67.7 | 172.5 | 0 | 0 | 0 | 112.8 | G188 V189 | G188-L192 WeakPolarHBondContact O-CG 3.29Å; G188-L192 PolarHBondContact O-N 3.19Å; G188-L192 VanDerWaalsContact O-N 3.09Å; V189-L192 PolarHBondContact O-N 3.4Å |
| 193 | L | 87.1 | Confident | 82.6 | Confident | 68 Ų | 68 | 102.6 Ų | 102.6 | 36% | 0.356 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -89.1 | 2 | -177 | -69.7 | 178.7 | 0 | 0 | 0 | 114.5 | V189 E190 H191 D195 I196 K197 | V189-L193 HydrophobicContact CG1-CD1 3.68Å; V189-L193 HydrophobicContact CG1-CG 4.22Å; V189-L193 WeakPolarHBondContact O-CB 3.15Å; V189-L193 VanDerWaalsContact O-CG 3.32Å; V189-L193 WeakPolarHBondContact O-CG 3.04Å; V189-L193 PolarHBondContact O-N 2.89Å; E190-L193 PolarHBondContact O-N 3.17Å; H191-L193 VanDerWaalsContact C-N 3.29Å; H191-L193 PolarHBondContact O-N 3.16Å; L193-D195 PolarHBondContact O-N 2.9Å; L193-D195 VanDerWaalsContact O-N 3.14Å; L193-I196 HydrophobicContact CD2-CD1 4.38Å; L193-I196 PolarHBondContact O-N 2.97Å; L193-I196 VanDerWaalsContact O-N 3.07Å; L193-K197 HydrophobicContact CB-CB 4.33Å; L193-K197 WeakPolarHBondContact O-CB 3.35Å; L193-K197 PolarHBondContact O-N 3.41Å |
| 194 | R | 82.7 | Confident | 82.5 | Confident | 169 Ų | 169 | 100.5 Ų | 100.5 | 64% | 0.638 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -57.8 | -29.7 | -178.8 | -72.3 | -178.8 | 176.2 | -140.7 | -6 | 114 | E190 H191 | E190-R194 WeakPolarHBondContact O-CG 3.37Å; E190-R194 PolarHBondContact O-N 2.73Å; H191-R194 WeakPolarHBondContact O-CG 3.49Å |
| 195 | D | 82.6 | Confident | 82.3 | Confident | 160 Ų | 160 | 99.6 Ų | 99.6 | 86% | 0.856 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -82.9 | -17.8 | -178.6 | -64.8 | -17.9 | 0 | 0 | 0 | 113.1 | L193 | L193-D195 PolarHBondContact O-N 2.9Å; L193-D195 VanDerWaalsContact O-N 3.14Å |
| 196 | I | 79.6 | Confident | 82.1 | Confident | 132 Ų | 132 | 104.1 Ų | 104.1 | 68% | 0.677 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | -40.8 | -173.1 | -57.9 | 173.7 | 0 | 0 | 0 | 111.3 | L193 D198 | L193-I196 HydrophobicContact CD2-CD1 4.38Å; L193-I196 PolarHBondContact O-N 2.97Å; L193-I196 VanDerWaalsContact O-N 3.07Å; I196-D198 PolarHBondContact O-N 2.89Å |
| 197 | K | 68.7 | Low | 82.1 | Confident | 132 Ų | 132 | 106.8 Ų | 106.8 | 57% | 0.574 | 57% | 0.572 | S | S | * | * | trans | -82.5 | 103.8 | -174.3 | -171 | 179.4 | -180 | -176.6 | 0 | 109.4 | L193 T199 | L193-K197 HydrophobicContact CB-CB 4.33Å; L193-K197 WeakPolarHBondContact O-CB 3.35Å; L193-K197 PolarHBondContact O-N 3.41Å; K197-T199 PolarHBondContact O-N 3.01Å; K197-T199 PolarHBondContact O-OG1 2.9Å | ||
| 198 | D | 65.8 | Low | 82.2 | Confident | 108 Ų | 108 | 106.7 Ų | 106.7 | 58% | 0.578 | 57% | 0.567 | S | S | * | * | trans | -62.6 | 80.4 | 163.4 | -71.8 | -29.6 | 0 | 0 | 0 | 109.6 | I196 S200 L201 | I196-D198 PolarHBondContact O-N 2.89Å; D198-S200 PolarHBondContact O-N 2.88Å; D198-L201 HydrophobicContact CB-CD1 3.84Å; D198-L201 HydrophobicContact CB-CG 3.78Å; D198-L201 WeakPolarHBondContact O-CB 3.31Å; D198-L201 PolarHBondContact O-N 3.35Å | ||
| 199 | T | 68.4 | Low | 82.1 | Confident | 110 Ų | 110 | 106.2 Ų | 106.2 | 68% | 0.675 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -12.8 | 176.6 | -58.6 | 0 | 0 | 0 | 0 | 110.9 | K197 L201 | K197-T199 PolarHBondContact O-N 3.01Å; K197-T199 PolarHBondContact O-OG1 2.9Å; T199-L201 VanDerWaalsContact C-N 3.35Å |
| 200 | S | 68.4 | Low | 81.9 | Confident | 104 Ų | 104 | 107.6 Ų | 107.6 | 73% | 0.727 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -7.6 | 172.4 | 53.3 | 0 | 0 | 0 | 0 | 115.2 | D198 G202 | D198-S200 PolarHBondContact O-N 2.88Å; S200-G202 PolarHBondContact O-N 3.18Å; S200-G202 VanDerWaalsContact O-N 3.1Å |
| 201 | L | 71.2 | Confident | 82.1 | Confident | 97 Ų | 97 | 109 Ų | 109 | 51% | 0.508 | 58% | 0.58 | S | S | . | * | trans | -65.7 | 114.5 | 176.4 | -72.5 | 167.4 | 0 | 0 | 0 | 109.6 | D198 T199 | D198-L201 HydrophobicContact CB-CD1 3.84Å; D198-L201 HydrophobicContact CB-CG 3.78Å; D198-L201 WeakPolarHBondContact O-CB 3.31Å; D198-L201 PolarHBondContact O-N 3.35Å; T199-L201 VanDerWaalsContact C-N 3.35Å | ||
| 202 | G | 79.9 | Confident | 82.2 | Confident | 46 Ų | 46 | 108.4 Ų | 108.4 | 47% | 0.474 | 58% | 0.58 | S | S | . | * | trans | -58.5 | 155.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | S200 L204 S205 Q206 | S200-G202 PolarHBondContact O-N 3.18Å; S200-G202 VanDerWaalsContact O-N 3.1Å; G202-L204 PolarHBondContact O-N 3.11Å; G202-S205 WeakPolarHBondContact O-CB 3.25Å; G202-S205 PolarHBondContact O-N 2.98Å; G202-Q206 PolarHBondContact O-N 2.91Å | ||
| 203 | S | 86.7 | Confident | 82.2 | Confident | 89 Ų | 89 | 107.1 Ų | 107.1 | 62% | 0.622 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -54.3 | -29.4 | -177.4 | 61.3 | 0 | 0 | 0 | 0 | 114.4 | R207 | S203-R207 VanDerWaalsContact O-CG 3.3Å; S203-R207 WeakPolarHBondContact O-CG 3.45Å; S203-R207 PolarHBondContact O-N 2.98Å |
| 204 | L | 86.9 | Confident | 82.3 | Confident | 120 Ų | 120 | 106 Ų | 106 | 63% | 0.628 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.3 | -45 | 174.7 | 179.1 | 61.7 | 0 | 0 | 0 | 112 | G202 Q206 R207 I208 | G202-L204 PolarHBondContact O-N 3.11Å; L204-Q206 VanDerWaalsContact C-N 3.32Å; L204-Q206 PolarHBondContact O-N 3.18Å; L204-R207 PolarHBondContact O-N 3.27Å; L204-I208 HydrophobicContact CD1-CD1 4.02Å; L204-I208 HydrophobicContact CD1-CG1 4.29Å; L204-I208 HydrophobicContact CG-CD1 3.92Å; L204-I208 WeakPolarHBondContact O-CG1 3.47Å; L204-I208 PolarHBondContact O-N 3.22Å |
| 205 | S | 86.9 | Confident | 82.8 | Confident | 60 Ų | 60 | 103.8 Ų | 103.8 | 42% | 0.42 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.9 | -41.1 | -179.3 | -164.5 | 0 | 0 | 0 | 0 | 110.9 | G202 R207 I208 G209 | G202-S205 WeakPolarHBondContact O-CB 3.25Å; G202-S205 PolarHBondContact O-N 2.98Å; S205-R207 PolarHBondContact O-N 3.42Å; S205-I208 PolarHBondContact O-N 2.88Å; S205-G209 PolarHBondContact O-N 2.59Å |
| 206 | Q | 86.5 | Confident | 83.2 | Confident | 129 Ų | 129 | 98.5 Ų | 98.5 | 60% | 0.603 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61 | -44.2 | 175.1 | -170.3 | -178.5 | 10.5 | 0 | 0 | 111.5 | G202 L204 I208 G209 C210 | G202-Q206 PolarHBondContact O-N 2.91Å; L204-Q206 VanDerWaalsContact C-N 3.32Å; L204-Q206 PolarHBondContact O-N 3.18Å; Q206-I208 PolarHBondContact O-N 2.91Å; Q206-G209 PolarHBondContact O-N 2.76Å; Q206-C210 PolarHBondContact O-N 3.18Å; Q206-C210 PolarHBondContact O-SG 3Å |
| 207 | R | 89.1 | Confident | 83.6 | Confident | 177 Ų | 177 | 93.6 Ų | 93.6 | 67% | 0.668 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.6 | -41.3 | 177.8 | -74.5 | 172.4 | -178.8 | -103.9 | 0.2 | 112.7 | S203 L204 S205 C210 Q211 | S203-R207 VanDerWaalsContact O-CG 3.3Å; S203-R207 WeakPolarHBondContact O-CG 3.45Å; S203-R207 PolarHBondContact O-N 2.98Å; L204-R207 PolarHBondContact O-N 3.27Å; S205-R207 PolarHBondContact O-N 3.42Å; R207-C210 PolarHBondContact O-N 2.93Å; R207-Q211 WeakPolarHBondContact O-CG 3.26Å; R207-Q211 PolarHBondContact O-N 3.35Å |
| 208 | I | 91 | Very high | 84.6 | Confident | 91 Ų | 91 | 92.2 Ų | 92.2 | 47% | 0.467 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 176 | -66.5 | 168.9 | 0 | 0 | 0 | 110.1 | L204 S205 Q206 Q211 L212 | L204-I208 HydrophobicContact CD1-CD1 4.02Å; L204-I208 HydrophobicContact CD1-CG1 4.29Å; L204-I208 HydrophobicContact CG-CD1 3.92Å; L204-I208 WeakPolarHBondContact O-CG1 3.47Å; L204-I208 PolarHBondContact O-N 3.22Å; S205-I208 PolarHBondContact O-N 2.88Å; Q206-I208 PolarHBondContact O-N 2.91Å; I208-Q211 PolarHBondContact O-N 2.94Å; I208-L212 PolarHBondContact O-N 2.89Å |
| 209 | G | 87.7 | Confident | 85.9 | Confident | 27 Ų | 27 | 91.6 Ų | 91.6 | 28% | 0.278 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -54.8 | -53.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S205 Q206 Q211 L212 D213 | S205-G209 PolarHBondContact O-N 2.59Å; Q206-G209 PolarHBondContact O-N 2.76Å; G209-Q211 VanDerWaalsContact C-N 3.26Å; G209-Q211 PolarHBondContact O-N 2.67Å; G209-L212 PolarHBondContact O-N 3.03Å; G209-D213 WeakPolarHBondContact O-CB 3.39Å; G209-D213 PolarHBondContact O-N 2.87Å |
| 210 | C | 87.2 | Confident | 86.8 | Confident | 79 Ų | 79 | 90.8 Ų | 90.8 | 53% | 0.534 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.2 | -34.8 | 177.6 | -63.7 | 0 | 0 | 0 | 0 | 113.6 | Q206 R207 G214 | Q206-C210 PolarHBondContact O-N 3.18Å; Q206-C210 PolarHBondContact O-SG 3Å; R207-C210 PolarHBondContact O-N 2.93Å; C210-G214 PolarHBondContact O-N 2.81Å |
| 211 | Q | 90.8 | Very high | 87.8 | Confident | 139 Ų | 139 | 91.3 Ų | 91.3 | 65% | 0.65 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69 | -42.3 | 174.9 | -75.3 | 179.9 | -7.9 | 0 | 0 | 111.9 | R207 I208 G209 G214 L215 | R207-Q211 WeakPolarHBondContact O-CG 3.26Å; R207-Q211 PolarHBondContact O-N 3.35Å; I208-Q211 PolarHBondContact O-N 2.94Å; G209-Q211 VanDerWaalsContact C-N 3.26Å; G209-Q211 PolarHBondContact O-N 2.67Å; Q211-G214 PolarHBondContact O-N 3.03Å; Q211-L215 WeakPolarHBondContact O-CG 3.14Å; Q211-L215 PolarHBondContact O-N 2.8Å |
| 212 | L | 91.3 | Very high | 88.8 | Confident | 112 Ų | 112 | 91.6 Ų | 91.6 | 59% | 0.586 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.6 | -42.7 | 178 | -169.9 | 144.3 | 0 | 0 | 0 | 111.2 | I208 G209 G214 L215 S216 | I208-L212 PolarHBondContact O-N 2.89Å; G209-L212 PolarHBondContact O-N 3.03Å; L212-G214 VanDerWaalsContact C-N 3.35Å; L212-L215 PolarHBondContact O-N 3.02Å; L212-S216 PolarHBondContact O-N 2.87Å; L212-S216 PolarHBondContact O-OG 2.91Å |
| 213 | D | 87.7 | Confident | 89.5 | Confident | 101 Ų | 101 | 95.5 Ų | 95.5 | 54% | 0.54 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.2 | -38 | 175.2 | -63.1 | -25.9 | 0 | 0 | 0 | 111.6 | G209 S216 G217 | G209-D213 WeakPolarHBondContact O-CB 3.39Å; G209-D213 PolarHBondContact O-N 2.87Å; D213-S216 WeakPolarHBondContact CA-OG 3.19Å; D213-S216 PolarHBondContact O-N 3.03Å; D213-S216 PolarHBondContact O-OG 2.93Å; D213-G217 PolarHBondContact O-N 2.96Å |
| 214 | G | 90.1 | Very high | 89.6 | Confident | 45 Ų | 45 | 95.9 Ų | 95.9 | 46% | 0.464 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | C210 Q211 L212 L218 | C210-G214 PolarHBondContact O-N 2.81Å; Q211-G214 PolarHBondContact O-N 3.03Å; L212-G214 VanDerWaalsContact C-N 3.35Å; G214-L218 WeakPolarHBondContact O-CB 3.14Å; G214-L218 PolarHBondContact O-N 3.26Å |
| 215 | L | 92.5 | Very high | 89.9 | Confident | 121 Ų | 121 | 93.3 Ų | 93.3 | 63% | 0.634 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -69.5 | -40.9 | 176.8 | -73.3 | 172.7 | 0 | 0 | 0 | 112.4 | Q211 L212 L218 L219 | Q211-L215 WeakPolarHBondContact O-CG 3.14Å; Q211-L215 PolarHBondContact O-N 2.8Å; L212-L215 PolarHBondContact O-N 3.02Å; L215-L218 PolarHBondContact O-N 3Å; L215-L219 WeakPolarHBondContact O-CB 3.49Å; L215-L219 PolarHBondContact O-N 3.01Å |
| 216 | S | 90.2 | Very high | 90.2 | Very high | 49 Ų | 49 | 96.9 Ų | 96.9 | 34% | 0.343 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66 | -40.4 | 176.6 | 68.8 | 0 | 0 | 0 | 0 | 111.3 | L212 D213 L219 R220 | L212-S216 PolarHBondContact O-N 2.87Å; L212-S216 PolarHBondContact O-OG 2.91Å; D213-S216 WeakPolarHBondContact CA-OG 3.19Å; D213-S216 PolarHBondContact O-N 3.03Å; D213-S216 PolarHBondContact O-OG 2.93Å; S216-L219 PolarHBondContact O-N 3.23Å; S216-R220 PolarHBondContact O-N 2.94Å |
| 217 | G | 87.9 | Confident | 90.4 | Very high | 29 Ų | 29 | 96.3 Ų | 96.3 | 30% | 0.299 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | D213 L219 R220 Q221 | D213-G217 PolarHBondContact O-N 2.96Å; G217-L219 PolarHBondContact O-N 3.29Å; G217-R220 WeakPolarHBondContact O-CB 3.49Å; G217-R220 PolarHBondContact O-N 3.42Å; G217-Q221 WeakPolarHBondContact O-CG 3.47Å; G217-Q221 PolarHBondContact O-N 3.43Å |
| 218 | L | 91.2 | Very high | 90.5 | Very high | 103 Ų | 103 | 90.2 Ų | 90.2 | 54% | 0.539 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 176 | 178.9 | 63.5 | 0 | 0 | 0 | 112 | G214 L215 R220 Q221 L222 | G214-L218 WeakPolarHBondContact O-CB 3.14Å; G214-L218 PolarHBondContact O-N 3.26Å; L215-L218 PolarHBondContact O-N 3Å; L218-R220 VanDerWaalsContact C-N 3.3Å; L218-R220 PolarHBondContact O-N 3.26Å; L218-Q221 PolarHBondContact O-N 2.72Å; L218-L222 WeakPolarHBondContact O-CB 3.23Å; L218-L222 PolarHBondContact O-N 3.34Å |
| 219 | L | 92.4 | Very high | 90.5 | Very high | 95 Ų | 95 | 89.2 Ų | 89.2 | 50% | 0.497 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.5 | -42.7 | 177.3 | 179.4 | 65 | 0 | 0 | 0 | 111.2 | L215 S216 G217 L222 Y223 | L215-L219 WeakPolarHBondContact O-CB 3.49Å; L215-L219 PolarHBondContact O-N 3.01Å; S216-L219 PolarHBondContact O-N 3.23Å; G217-L219 PolarHBondContact O-N 3.29Å; L219-L222 PolarHBondContact O-N 3.34Å; L219-Y223 HydrophobicContact CD1-CD2 4.06Å; L219-Y223 HydrophobicContact CD1-CE2 3.55Å; L219-Y223 HydrophobicContact CD2-CE2 4.04Å; L219-Y223 HydrophobicContact CG-CD2 3.88Å; L219-Y223 HydrophobicContact CG-CE2 3.55Å; L219-Y223 WeakPolarHBondContact O-CD2 3.37Å; L219-Y223 PolarHBondContact O-N 3.04Å |
| 220 | R | 87.8 | Confident | 90.8 | Very high | 94 Ų | 94 | 92.6 Ų | 92.6 | 36% | 0.355 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.6 | -48.6 | 176.7 | -171.8 | -155.4 | -175.1 | 105.1 | -8.8 | 112 | D148 S216 G217 L218 L222 Y223 E224 | D148-R220 VanDerWaalsContact CG-NH2 3.34Å; D148-R220 IonicContact OD1-CZ 3.74Å; D148-R220 IonicContact OD1-NH1 2.75Å; D148-R220 PolarHBondContact OD1-NH1 2.99Å; D148-R220 IonicContact OD1-NH2 3.23Å; D148-R220 IonicContact OD2-CZ 2.67Å; D148-R220 IonicContact OD2-NH1 3.01Å; D148-R220 PolarHBondContact OD2-NH1 3.46Å; D148-R220 VanDerWaalsContact OD2-NH1 3.11Å; D148-R220 IonicContact OD2-NH2 3.97Å; D148-R220 PolarHBondContact OD2-NH2 2.97Å; S216-R220 PolarHBondContact O-N 2.94Å; G217-R220 WeakPolarHBondContact O-CB 3.49Å; G217-R220 PolarHBondContact O-N 3.42Å; L218-R220 VanDerWaalsContact C-N 3.3Å; L218-R220 PolarHBondContact O-N 3.26Å; R220-L222 PolarHBondContact O-N 3.47Å; R220-Y223 WeakPolarHBondContact O-CA 3.34Å; R220-Y223 WeakPolarHBondContact O-CB 3.3Å; R220-Y223 PolarHBondContact O-N 3.44Å; R220-E224 IonicContact NE-OE1 2.74Å; R220-E224 PolarHBondContact NE-OE1 3.28Å; R220-E224 PolarHBondContact O-N 2.96Å |
| 221 | Q | 88.5 | Confident | 91 | Very high | 115 Ų | 115 | 91.4 Ų | 91.4 | 54% | 0.537 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.3 | -38.5 | 177.2 | -71.7 | 178.8 | -9.7 | 0 | 0 | 111.4 | G217 L218 E224 I225 | G217-Q221 WeakPolarHBondContact O-CG 3.47Å; G217-Q221 PolarHBondContact O-N 3.43Å; L218-Q221 PolarHBondContact O-N 2.72Å; Q221-E224 PolarHBondContact O-N 3.49Å; Q221-I225 VanDerWaalsContact O-CG1 3.28Å; Q221-I225 WeakPolarHBondContact O-CG1 3.43Å; Q221-I225 PolarHBondContact O-N 3.18Å |
| 222 | L | 92.8 | Very high | 91 | Very high | 103 Ų | 103 | 85.7 Ų | 85.7 | 54% | 0.539 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.9 | -37.2 | 175.6 | -167.3 | 147.7 | 0 | 0 | 0 | 112.3 | L218 L219 R220 R226 | L218-L222 WeakPolarHBondContact O-CB 3.23Å; L218-L222 PolarHBondContact O-N 3.34Å; L219-L222 PolarHBondContact O-N 3.34Å; R220-L222 PolarHBondContact O-N 3.47Å; L222-R226 WeakPolarHBondContact O-CB 3.41Å; L222-R226 PolarHBondContact O-N 2.87Å |
| 223 | Y | 94 | Very high | 90.9 | Very high | 128 Ų | 128 | 85.1 Ų | 85.1 | 50% | 0.502 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 172.2 | -82.6 | -65.7 | 0 | 0 | 0 | 112.5 | L219 R220 R226 E227 | L219-Y223 HydrophobicContact CD1-CD2 4.06Å; L219-Y223 HydrophobicContact CD1-CE2 3.55Å; L219-Y223 HydrophobicContact CD2-CE2 4.04Å; L219-Y223 HydrophobicContact CG-CD2 3.88Å; L219-Y223 HydrophobicContact CG-CE2 3.55Å; L219-Y223 WeakPolarHBondContact O-CD2 3.37Å; L219-Y223 PolarHBondContact O-N 3.04Å; R220-Y223 WeakPolarHBondContact O-CA 3.34Å; R220-Y223 WeakPolarHBondContact O-CB 3.3Å; R220-Y223 PolarHBondContact O-N 3.44Å; Y223-R226 WeakPolarHBondContact O-CB 3.46Å; Y223-R226 PolarHBondContact O-N 3.35Å; Y223-E227 PolarHBondContact O-N 3.32Å |
| 224 | E | 89.5 | Confident | 91.1 | Very high | 97 Ų | 97 | 83.8 Ų | 83.8 | 45% | 0.453 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 176.6 | -70.6 | 172.6 | -172.1 | 0 | 0 | 111.3 | R220 Q221 R226 E227 Y228 | R220-E224 IonicContact NE-OE1 2.74Å; R220-E224 PolarHBondContact NE-OE1 3.28Å; R220-E224 PolarHBondContact O-N 2.96Å; Q221-E224 PolarHBondContact O-N 3.49Å; E224-R226 VanDerWaalsContact C-N 3.33Å; E224-R226 PolarHBondContact O-N 2.84Å; E224-E227 PolarHBondContact O-N 2.98Å; E224-Y228 WeakPolarHBondContact O-CB 3.41Å; E224-Y228 PolarHBondContact O-N 2.72Å |
| 225 | I | 91.9 | Very high | 90.8 | Very high | 66 Ų | 66 | 88.9 Ų | 88.9 | 34% | 0.338 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | 173.3 | -68.9 | 165.6 | 0 | 0 | 0 | 110.7 | Q221 Y228 L229 L247 | Q221-I225 VanDerWaalsContact O-CG1 3.28Å; Q221-I225 WeakPolarHBondContact O-CG1 3.43Å; Q221-I225 PolarHBondContact O-N 3.18Å; I225-Y228 PolarHBondContact O-N 2.74Å; I225-L229 HydrophobicContact CG2-CD1 4.09Å; I225-L229 HydrophobicContact CG2-CG 4.45Å; I225-L229 WeakPolarHBondContact O-CG 3.46Å; I225-L229 PolarHBondContact O-N 3Å; I225-L247 HydrophobicContact CD1-CD2 3.97Å; I225-L247 HydrophobicContact CG1-CD2 4.19Å; I225-L247 HydrophobicContact CG2-CD1 4.19Å; I225-L247 HydrophobicContact CG2-CD2 3.65Å |
| 226 | R | 93.2 | Very high | 90.4 | Very high | 134 Ų | 134 | 91 Ų | 91 | 51% | 0.506 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 176.8 | 175.1 | -174.3 | 165.3 | -173.6 | -1.4 | 111.4 | L222 Y223 E224 Y228 L229 Q230 | L222-R226 WeakPolarHBondContact O-CB 3.41Å; L222-R226 PolarHBondContact O-N 2.87Å; Y223-R226 WeakPolarHBondContact O-CB 3.46Å; Y223-R226 PolarHBondContact O-N 3.35Å; E224-R226 VanDerWaalsContact C-N 3.33Å; E224-R226 PolarHBondContact O-N 2.84Å; R226-Y228 VanDerWaalsContact C-N 3.35Å; R226-L229 PolarHBondContact O-N 3.21Å; R226-Q230 HydrophobicContact CG-CG 4.41Å; R226-Q230 WeakPolarHBondContact O-CB 3.37Å; R226-Q230 VanDerWaalsContact O-CG 3.28Å; R226-Q230 WeakPolarHBondContact O-CG 3.19Å; R226-Q230 PolarHBondContact O-N 3.36Å |
| 227 | E | 92.3 | Very high | 89.9 | Confident | 117 Ų | 117 | 92.5 Ų | 92.5 | 55% | 0.547 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.3 | -45 | 178.6 | -172.9 | 179.3 | 175.3 | 0 | 0 | 110.7 | Y223 E224 L229 Q230 L231 | Y223-E227 PolarHBondContact O-N 3.32Å; E224-E227 PolarHBondContact O-N 2.98Å; E227-L229 PolarHBondContact O-N 3.39Å; E227-Q230 PolarHBondContact O-N 3.11Å; E227-L231 HydrophobicContact CG-CD1 4.21Å; E227-L231 WeakPolarHBondContact O-CB 3.39Å; E227-L231 VanDerWaalsContact O-CG 3.3Å; E227-L231 WeakPolarHBondContact O-CG 3.49Å; E227-L231 PolarHBondContact O-N 2.82Å |
| 228 | Y | 90.5 | Very high | 89.5 | Confident | 49 Ų | 49 | 96.6 Ų | 96.6 | 19% | 0.192 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -57.9 | -49.7 | 174.2 | 173.4 | -104.7 | 0 | 0 | 0 | 111.9 | E224 I225 R226 Q230 L231 V232 N240 I243 | E224-Y228 WeakPolarHBondContact O-CB 3.41Å; E224-Y228 PolarHBondContact O-N 2.72Å; I225-Y228 PolarHBondContact O-N 2.74Å; R226-Y228 VanDerWaalsContact C-N 3.35Å; Y228-Q230 VanDerWaalsContact C-N 3.31Å; Y228-Q230 PolarHBondContact O-N 3.49Å; Y228-L231 WeakPolarHBondContact O-CB 3.5Å; Y228-L231 PolarHBondContact O-N 2.78Å; Y228-L231 VanDerWaalsContact O-N 3.16Å; Y228-V232 HydrophobicContact CD1-CG2 4.38Å; Y228-V232 HydrophobicContact CD2-CG2 4.23Å; Y228-V232 HydrophobicContact CE1-CG2 3.98Å; Y228-V232 HydrophobicContact CE2-CG2 3.81Å; Y228-V232 HydrophobicContact CG-CG2 4.5Å; Y228-V232 VanDerWaalsContact O-CG2 3.32Å; Y228-V232 WeakPolarHBondContact O-CG2 3.39Å; Y228-V232 PolarHBondContact O-N 3.07Å; Y228-N240 PolarHBondContact OH-N 3.02Å; Y228-I243 HydrophobicContact CD1-CG2 4.37Å; Y228-I243 HydrophobicContact CE1-CB 4.42Å; Y228-I243 HydrophobicContact CE1-CG2 3.79Å |
| 229 | L | 91.2 | Very high | 89 | Confident | 71 Ų | 71 | 94.6 Ų | 94.6 | 37% | 0.372 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.1 | -34.5 | 178.9 | -70.6 | 177.9 | 0 | 0 | 0 | 112.6 | I225 R226 E227 S233 L247 | I225-L229 HydrophobicContact CG2-CD1 4.09Å; I225-L229 HydrophobicContact CG2-CG 4.45Å; I225-L229 WeakPolarHBondContact O-CG 3.46Å; I225-L229 PolarHBondContact O-N 3Å; R226-L229 PolarHBondContact O-N 3.21Å; E227-L229 PolarHBondContact O-N 3.39Å; L229-S233 VanDerWaalsContact O-CB 3.31Å; L229-S233 WeakPolarHBondContact O-CB 3.43Å; L229-S233 PolarHBondContact O-N 2.95Å; L229-L247 HydrophobicContact CD2-CD1 4.11Å; L229-L247 HydrophobicContact CG-CD1 4.47Å |
| 230 | Q | 93.3 | Very high | 88.6 | Confident | 97 Ų | 97 | 93.1 Ų | 93.1 | 45% | 0.453 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.7 | -39.4 | 173.9 | -76.2 | -179.1 | -20.8 | 0 | 0 | 112.1 | R226 E227 Y228 S233 S234 | R226-Q230 HydrophobicContact CG-CG 4.41Å; R226-Q230 WeakPolarHBondContact O-CB 3.37Å; R226-Q230 VanDerWaalsContact O-CG 3.28Å; R226-Q230 WeakPolarHBondContact O-CG 3.19Å; R226-Q230 PolarHBondContact O-N 3.36Å; E227-Q230 PolarHBondContact O-N 3.11Å; Y228-Q230 VanDerWaalsContact C-N 3.31Å; Y228-Q230 PolarHBondContact O-N 3.49Å; Q230-S233 PolarHBondContact O-N 3.25Å; Q230-S234 WeakPolarHBondContact O-CB 3.46Å; Q230-S234 PolarHBondContact O-N 2.93Å; Q230-S234 PolarHBondContact O-OG 3.26Å |
| 231 | L | 91.6 | Very high | 88.4 | Confident | 54 Ų | 54 | 93.2 Ų | 93.2 | 28% | 0.283 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.4 | -40 | 176.7 | -74.1 | 169.5 | 0 | 0 | 0 | 112.1 | E227 Y228 S234 K236 L237 | E227-L231 HydrophobicContact CG-CD1 4.21Å; E227-L231 WeakPolarHBondContact O-CB 3.39Å; E227-L231 VanDerWaalsContact O-CG 3.3Å; E227-L231 WeakPolarHBondContact O-CG 3.49Å; E227-L231 PolarHBondContact O-N 2.82Å; Y228-L231 WeakPolarHBondContact O-CB 3.5Å; Y228-L231 PolarHBondContact O-N 2.78Å; Y228-L231 VanDerWaalsContact O-N 3.16Å; L231-S234 PolarHBondContact O-N 2.76Å; L231-K236 HydrophobicContact CD2-CD 4.29Å; L231-K236 PolarHBondContact O-N 2.93Å; L231-L237 HydrophobicContact CB-CD1 3.7Å; L231-L237 HydrophobicContact CD1-CD1 3.8Å; L231-L237 HydrophobicContact CD2-CD1 4.3Å; L231-L237 HydrophobicContact CG-CD1 4.15Å |
| 232 | V | 90.5 | Very high | 88.3 | Confident | 19 Ų | 19 | 93.3 Ų | 93.3 | 12% | 0.115 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 174.3 | 173 | 0 | 0 | 0 | 0 | 110.8 | Y228 S234 D235 V239 | Y228-V232 HydrophobicContact CD1-CG2 4.38Å; Y228-V232 HydrophobicContact CD2-CG2 4.23Å; Y228-V232 HydrophobicContact CE1-CG2 3.98Å; Y228-V232 HydrophobicContact CE2-CG2 3.81Å; Y228-V232 HydrophobicContact CG-CG2 4.5Å; Y228-V232 VanDerWaalsContact O-CG2 3.32Å; Y228-V232 WeakPolarHBondContact O-CG2 3.39Å; Y228-V232 PolarHBondContact O-N 3.07Å; V232-S234 PolarHBondContact O-N 2.97Å; V232-D235 PolarHBondContact O-N 3.22Å; V232-D235 VanDerWaalsContact O-N 3.12Å; V232-V239 HydrophobicContact CG1-CG2 3.61Å |
| 233 | S | 89.8 | Confident | 88 | Confident | 100 Ų | 100 | 91.2 Ų | 91.2 | 70% | 0.699 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -66.2 | -20.2 | 176.2 | -178.4 | 0 | 0 | 0 | 0 | 113.7 | L229 Q230 D235 | L229-S233 VanDerWaalsContact O-CB 3.31Å; L229-S233 WeakPolarHBondContact O-CB 3.43Å; L229-S233 PolarHBondContact O-N 2.95Å; Q230-S233 PolarHBondContact O-N 3.25Å; S233-D235 VanDerWaalsContact C-N 3.33Å |
| 234 | S | 92 | Very high | 87.8 | Confident | 73 Ų | 73 | 88 Ų | 88 | 51% | 0.51 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 8 | 176.8 | -55.2 | 0 | 0 | 0 | 0 | 112.8 | Q230 L231 V232 K236 | Q230-S234 WeakPolarHBondContact O-CB 3.46Å; Q230-S234 PolarHBondContact O-N 2.93Å; Q230-S234 PolarHBondContact O-OG 3.26Å; L231-S234 PolarHBondContact O-N 2.76Å; V232-S234 PolarHBondContact O-N 2.97Å; S234-K236 PolarHBondContact O-N 2.97Å; S234-K236 VanDerWaalsContact O-N 3.11Å |
| 235 | D | 82.9 | Confident | 87.8 | Confident | 153 Ų | 153 | 89.7 Ų | 89.7 | 82% | 0.818 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 24.8 | -177.8 | -62.4 | -33.5 | 0 | 0 | 0 | 114.9 | V232 S233 | V232-D235 PolarHBondContact O-N 3.22Å; V232-D235 VanDerWaalsContact O-N 3.12Å; S233-D235 VanDerWaalsContact C-N 3.33Å |
| 236 | K | 85.2 | Confident | 87.8 | Confident | 164 Ų | 164 | 91.4 Ų | 91.4 | 71% | 0.713 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -84.6 | -24.6 | 179.8 | -71.3 | -175 | 179.8 | 177.6 | 0 | 113.5 | L231 S234 | L231-K236 HydrophobicContact CD2-CD 4.29Å; L231-K236 PolarHBondContact O-N 2.93Å; S234-K236 PolarHBondContact O-N 2.97Å; S234-K236 VanDerWaalsContact O-N 3.11Å |
| 237 | L | 78.3 | Confident | 87.7 | Confident | 82 Ų | 82 | 85.9 Ų | 85.9 | 43% | 0.429 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -128.8 | 142.3 | -178.4 | -84 | 125.4 | 0 | 0 | 0 | 110.2 | L231 | L231-L237 HydrophobicContact CB-CD1 3.7Å; L231-L237 HydrophobicContact CD1-CD1 3.8Å; L231-L237 HydrophobicContact CD2-CD1 4.3Å; L231-L237 HydrophobicContact CG-CD1 4.15Å |
| 238 | P | 79.7 | Confident | 87.7 | Confident | 115 Ų | 115 | 85.4 Ų | 85.4 | 75% | 0.747 | 44% | 0.435 | S | S | * | . | trans | -63.9 | 142.5 | 173.4 | 27.9 | -33.7 | 0 | 0 | 0 | 110.5 | N240 | P238-N240 PolarHBondContact O-N 3.16Š| ||
| 239 | V | 81.4 | Confident | 87.9 | Confident | 61 Ų | 61 | 87.3 Ų | 87.3 | 37% | 0.37 | 45% | 0.448 | S | S | . | . | trans | -69.8 | 116.1 | 179.5 | 175 | 0 | 0 | 0 | 0 | 110 | V232 H241 I244 | V232-V239 HydrophobicContact CG1-CG2 3.61Å; V239-H241 PolarHBondContact O-N 2.94Å; V239-I244 HydrophobicContact CG1-CD1 3.27Å; V239-I244 HydrophobicContact CG1-CG1 4.25Å | ||
| 240 | N | 83.1 | Confident | 87.9 | Confident | 64 Ų | 64 | 88.8 Ų | 88.8 | 34% | 0.342 | 46% | 0.455 | S | S | . | . | trans | -83.5 | 104.2 | 165.2 | -170.5 | -27.7 | 0 | 0 | 0 | 109.9 | Y228 P238 R242 I243 I244 | Y228-N240 PolarHBondContact OH-N 3.02Å; P238-N240 PolarHBondContact O-N 3.16Å; N240-R242 VanDerWaalsContact C-N 3.27Å; N240-R242 PolarHBondContact O-N 2.99Å; N240-R242 WeakPolarHBondContact OD1-CB 3.41Å; N240-R242 PolarHBondContact OD1-N 3.24Å; N240-I243 HydrophobicContact CB-CB 4.47Å; N240-I243 HydrophobicContact CB-CD1 3.97Å; N240-I243 HydrophobicContact CB-CG1 4.14Å; N240-I243 PolarHBondContact O-N 3.05Å; N240-I244 PolarHBondContact O-N 2.86Å | ||
| 241 | H | 84.8 | Confident | 87.7 | Confident | 95 Ų | 95 | 90.8 Ų | 90.8 | 44% | 0.44 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58.9 | -35.2 | -178.3 | -59.8 | 92.9 | 0 | 0 | 0 | 113 | V239 I243 I244 Y245 | V239-H241 PolarHBondContact O-N 2.94Å; H241-I243 VanDerWaalsContact C-N 3.33Å; H241-I243 PolarHBondContact O-N 2.93Å; H241-I244 PolarHBondContact O-N 3.24Å; H241-Y245 HydrophobicContact CB-CE2 3.93Å; H241-Y245 WeakPolarHBondContact O-CD2 3.48Å; H241-Y245 VanDerWaalsContact O-CG 3.29Å; H241-Y245 PolarHBondContact O-N 3.43Å |
| 242 | R | 85.2 | Confident | 87.7 | Confident | 118 Ų | 118 | 93.7 Ų | 93.7 | 45% | 0.445 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 179.5 | -175.9 | 175.2 | 173.2 | -166.8 | -7.3 | 111.7 | E160 D173 N240 Q246 | E160-R242 IonicContact OE1-NH1 3.69Å; E160-R242 PolarHBondContact OE1-NH1 3.26Å; E160-R242 VanDerWaalsContact OE1-NH1 3.09Å; D173-R242 IonicContact OD2-NH1 2.59Å; D173-R242 IonicContact OD2-NH2 3.87Å; N240-R242 VanDerWaalsContact C-N 3.27Å; N240-R242 PolarHBondContact O-N 2.99Å; N240-R242 WeakPolarHBondContact OD1-CB 3.41Å; N240-R242 PolarHBondContact OD1-N 3.24Å; R242-Q246 WeakPolarHBondContact O-CG 3.4Å; R242-Q246 PolarHBondContact O-N 2.95Å; R242-Q246 VanDerWaalsContact O-N 3.15Å |
| 243 | I | 86.4 | Confident | 87.8 | Confident | 59 Ų | 59 | 99.6 Ų | 99.6 | 30% | 0.303 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.7 | -42.1 | 177.7 | -61.3 | 178.6 | 0 | 0 | 0 | 110 | Y228 N240 H241 Y245 Q246 L247 | Y228-I243 HydrophobicContact CD1-CG2 4.37Å; Y228-I243 HydrophobicContact CE1-CB 4.42Å; Y228-I243 HydrophobicContact CE1-CG2 3.79Å; N240-I243 HydrophobicContact CB-CB 4.47Å; N240-I243 HydrophobicContact CB-CD1 3.97Å; N240-I243 HydrophobicContact CB-CG1 4.14Å; N240-I243 PolarHBondContact O-N 3.05Å; H241-I243 VanDerWaalsContact C-N 3.33Å; H241-I243 PolarHBondContact O-N 2.93Å; I243-Y245 PolarHBondContact O-N 3.34Å; I243-Q246 PolarHBondContact O-N 2.95Å; I243-L247 HydrophobicContact CG2-CD1 4Å; I243-L247 HydrophobicContact CG2-CG 4.32Å; I243-L247 WeakPolarHBondContact O-CG 3.28Å; I243-L247 PolarHBondContact O-N 3.16Å |
| 244 | I | 89.6 | Confident | 87.6 | Confident | 61 Ų | 61 | 100.6 Ų | 100.6 | 31% | 0.313 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 178.9 | -65.9 | -171.6 | 0 | 0 | 0 | 111.5 | V239 N240 H241 Q246 L247 Q248 | V239-I244 HydrophobicContact CG1-CD1 3.27Å; V239-I244 HydrophobicContact CG1-CG1 4.25Å; N240-I244 PolarHBondContact O-N 2.86Å; H241-I244 PolarHBondContact O-N 3.24Å; I244-Q246 VanDerWaalsContact C-N 3.33Å; I244-Q246 PolarHBondContact O-N 3.29Å; I244-L247 PolarHBondContact O-N 2.87Å; I244-Q248 WeakPolarHBondContact O-CB 3.47Å; I244-Q248 PolarHBondContact O-N 2.99Å |
| 245 | Y | 91.2 | Very high | 87.3 | Confident | 131 Ų | 131 | 101.6 Ų | 101.6 | 51% | 0.514 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 176.6 | -62.8 | -40.6 | 0 | 0 | 0 | 111.7 | H241 I243 L247 Q248 D249 | H241-Y245 HydrophobicContact CB-CE2 3.93Å; H241-Y245 WeakPolarHBondContact O-CD2 3.48Å; H241-Y245 VanDerWaalsContact O-CG 3.29Å; H241-Y245 PolarHBondContact O-N 3.43Å; I243-Y245 PolarHBondContact O-N 3.34Å; Y245-L247 PolarHBondContact O-N 3.25Å; Y245-Q248 WeakPolarHBondContact O-CB 3.44Å; Y245-Q248 PolarHBondContact O-N 2.93Å; Y245-D249 PolarHBondContact O-N 3.03Å |
| 246 | Q | 91.2 | Very high | 87.1 | Confident | 103 Ų | 103 | 98.9 Ų | 98.9 | 48% | 0.481 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 175.5 | -71.7 | 177.9 | -13.9 | 0 | 0 | 112.6 | R242 I243 I244 Q248 D249 I250 | R242-Q246 WeakPolarHBondContact O-CG 3.4Å; R242-Q246 PolarHBondContact O-N 2.95Å; R242-Q246 VanDerWaalsContact O-N 3.15Å; I243-Q246 PolarHBondContact O-N 2.95Å; I244-Q246 VanDerWaalsContact C-N 3.33Å; I244-Q246 PolarHBondContact O-N 3.29Å; Q246-Q248 VanDerWaalsContact C-N 3.34Å; Q246-D249 PolarHBondContact O-N 3.43Å; Q246-I250 VanDerWaalsContact O-CG1 3.31Å; Q246-I250 WeakPolarHBondContact O-CG1 3.4Å; Q246-I250 PolarHBondContact O-N 3.04Å |
| 247 | L | 91.7 | Very high | 86.7 | Confident | 18 Ų | 18 | 96.7 Ų | 96.7 | 9% | 0.094 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 175.3 | -72.1 | 172.9 | 0 | 0 | 0 | 111.6 | I225 L229 I243 I244 Y245 D249 I250 F251 | I225-L247 HydrophobicContact CD1-CD2 3.97Å; I225-L247 HydrophobicContact CG1-CD2 4.19Å; I225-L247 HydrophobicContact CG2-CD1 4.19Å; I225-L247 HydrophobicContact CG2-CD2 3.65Å; L229-L247 HydrophobicContact CD2-CD1 4.11Å; L229-L247 HydrophobicContact CG-CD1 4.47Å; I243-L247 HydrophobicContact CG2-CD1 4Å; I243-L247 HydrophobicContact CG2-CG 4.32Å; I243-L247 WeakPolarHBondContact O-CG 3.28Å; I243-L247 PolarHBondContact O-N 3.16Å; I244-L247 PolarHBondContact O-N 2.87Å; Y245-L247 PolarHBondContact O-N 3.25Å; L247-D249 VanDerWaalsContact C-N 3.35Å; L247-I250 HydrophobicContact CD2-CD1 4.31Å; L247-I250 WeakPolarHBondContact O-CB 3.35Å; L247-I250 PolarHBondContact O-N 2.94Å; L247-F251 WeakPolarHBondContact O-CD2 3.32Å; L247-F251 PolarHBondContact O-N 3.14Å; L247-F251 VanDerWaalsContact O-N 3.16Å |
| 248 | Q | 91.3 | Very high | 86.8 | Confident | 106 Ų | 106 | 101.6 Ų | 101.6 | 50% | 0.495 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 175.5 | -175.2 | 176.7 | -4.1 | 0 | 0 | 111.5 | I244 Y245 Q246 I250 F251 N252 | I244-Q248 WeakPolarHBondContact O-CB 3.47Å; I244-Q248 PolarHBondContact O-N 2.99Å; Y245-Q248 WeakPolarHBondContact O-CB 3.44Å; Y245-Q248 PolarHBondContact O-N 2.93Å; Q246-Q248 VanDerWaalsContact C-N 3.34Å; Q248-I250 VanDerWaalsContact C-N 3.32Å; Q248-I250 PolarHBondContact O-N 3.19Å; Q248-F251 PolarHBondContact O-N 2.65Å; Q248-N252 PolarHBondContact O-N 3.11Å; Q248-N252 PolarHBondContact O-ND2 3.15Å |
| 249 | D | 94.2 | Very high | 87.1 | Confident | 90 Ų | 90 | 100.9 Ų | 100.9 | 48% | 0.481 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 174.9 | -72.1 | -21 | 0 | 0 | 0 | 111.8 | Y245 Q246 L247 F251 N252 L253 | Y245-D249 PolarHBondContact O-N 3.03Å; Q246-D249 PolarHBondContact O-N 3.43Å; L247-D249 VanDerWaalsContact C-N 3.35Å; D249-F251 VanDerWaalsContact C-N 3.32Å; D249-F251 PolarHBondContact O-N 2.71Å; D249-N252 PolarHBondContact O-N 3.27Å; D249-L253 WeakPolarHBondContact O-CB 3.24Å; D249-L253 VanDerWaalsContact O-CG 3.27Å; D249-L253 WeakPolarHBondContact O-CG 3.35Å; D249-L253 PolarHBondContact O-N 3.43Å |
| 250 | I | 91.9 | Very high | 87.3 | Confident | 101 Ų | 101 | 105 Ų | 105 | 52% | 0.518 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.8 | -43.4 | 175 | -70.5 | 163.7 | 0 | 0 | 0 | 111.1 | Q246 L247 Q248 L253 L254 | Q246-I250 VanDerWaalsContact O-CG1 3.31Å; Q246-I250 WeakPolarHBondContact O-CG1 3.4Å; Q246-I250 PolarHBondContact O-N 3.04Å; L247-I250 HydrophobicContact CD2-CD1 4.31Å; L247-I250 WeakPolarHBondContact O-CB 3.35Å; L247-I250 PolarHBondContact O-N 2.94Å; Q248-I250 VanDerWaalsContact C-N 3.32Å; Q248-I250 PolarHBondContact O-N 3.19Å; I250-L253 PolarHBondContact O-N 3.11Å; I250-L254 PolarHBondContact O-N 2.75Å |
| 251 | F | 89.7 | Confident | 87.6 | Confident | 140 Ų | 140 | 107.9 Ų | 107.9 | 61% | 0.614 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.7 | -36.4 | 177.4 | -71.9 | -63.8 | 0 | 0 | 0 | 112.7 | L247 Q248 D249 L253 L254 | L247-F251 WeakPolarHBondContact O-CD2 3.32Å; L247-F251 PolarHBondContact O-N 3.14Å; L247-F251 VanDerWaalsContact O-N 3.16Å; Q248-F251 PolarHBondContact O-N 2.65Å; D249-F251 VanDerWaalsContact C-N 3.32Å; D249-F251 PolarHBondContact O-N 2.71Å; F251-L253 VanDerWaalsContact C-N 3.31Å; F251-L253 PolarHBondContact O-N 3.33Å; F251-L254 WeakPolarHBondContact O-CB 3.5Å; F251-L254 PolarHBondContact O-N 3.03Å |
| 252 | N | 91.5 | Very high | 87.7 | Confident | 115 Ų | 115 | 105.8 Ų | 105.8 | 62% | 0.615 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.9 | -30 | 176.7 | -70.5 | -24.3 | 0 | 0 | 0 | 112.8 | Q248 D249 L254 | Q248-N252 PolarHBondContact O-N 3.11Å; Q248-N252 PolarHBondContact O-ND2 3.15Å; D249-N252 PolarHBondContact O-N 3.27Å; N252-L254 VanDerWaalsContact C-N 3.32Å |
| 253 | L | 92.1 | Very high | 88 | Confident | 142 Ų | 142 | 102.8 Ų | 102.8 | 74% | 0.743 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -3.4 | 179.2 | -71.6 | 170.3 | 0 | 0 | 0 | 113.7 | D249 I250 F251 P255 | D249-L253 WeakPolarHBondContact O-CB 3.24Å; D249-L253 VanDerWaalsContact O-CG 3.27Å; D249-L253 WeakPolarHBondContact O-CG 3.35Å; D249-L253 PolarHBondContact O-N 3.43Å; I250-L253 PolarHBondContact O-N 3.11Å; F251-L253 VanDerWaalsContact C-N 3.31Å; F251-L253 PolarHBondContact O-N 3.33Å; L253-P255 WeakPolarHBondContact O-CD 3.29Å |
| 254 | L | 86.7 | Confident | 88.2 | Confident | 122 Ų | 122 | 108 Ų | 108 | 64% | 0.639 | 53% | 0.534 | S | S | * | . | trans | -66.2 | 119.7 | -179 | -160.5 | 153.6 | 0 | 0 | 0 | 109.5 | I250 F251 N252 D256 | I250-L254 PolarHBondContact O-N 2.75Å; F251-L254 WeakPolarHBondContact O-CB 3.5Å; F251-L254 PolarHBondContact O-N 3.03Å; N252-L254 VanDerWaalsContact C-N 3.32Å; L254-D256 PolarHBondContact O-N 2.93Å | ||
| 255 | P | 84.3 | Confident | 88.3 | Confident | 93 Ų | 93 | 108 Ų | 108 | 60% | 0.604 | 54% | 0.542 | S | S | * | . | trans | -71.8 | 131.2 | -174 | 27.9 | -33.8 | 0 | 0 | 0 | 111.3 | L253 L257 | L253-P255 WeakPolarHBondContact O-CD 3.29Å; P255-L257 PolarHBondContact O-N 3.24Å | ||
| 256 | D | 79.8 | Confident | 88.3 | Confident | 96 Ų | 96 | 105.9 Ų | 105.9 | 51% | 0.513 | 54% | 0.539 | S | S | . | . | trans | -78.3 | 103.8 | 169.8 | -168.9 | -2 | 0 | 0 | 0 | 110.4 | L254 K258 | L254-D256 PolarHBondContact O-N 2.93Å; D256-K258 PolarHBondContact O-N 2.98Å; D256-K258 WeakPolarHBondContact OD1-CB 3.44Å; D256-K258 PolarHBondContact OD1-N 3.19Å; D256-K258 VanDerWaalsContact OD1-N 3.09Å | ||
| 257 | L | 76.6 | Confident | 88.4 | Confident | 119 Ų | 119 | 106.8 Ų | 106.8 | 62% | 0.623 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -2.7 | -179.2 | -68.6 | 166.1 | 0 | 0 | 0 | 113.6 | P255 | P255-L257 PolarHBondContact O-N 3.24Š|
| 258 | K | 80 | Confident | 88.6 | Confident | 184 Ų | 184 | 109.6 Ų | 109.6 | 80% | 0.8 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -7 | -177.4 | -63.3 | -179.5 | -178.6 | 175.1 | 0 | 114.3 | D256 H260 | D256-K258 PolarHBondContact O-N 2.98Å; D256-K258 WeakPolarHBondContact OD1-CB 3.44Å; D256-K258 PolarHBondContact OD1-N 3.19Å; D256-K258 VanDerWaalsContact OD1-N 3.09Å; K258-H260 PolarHBondContact O-N 2.86Å |
| 259 | L | 85.4 | Confident | 88.7 | Confident | 100 Ų | 100 | 108.7 Ų | 108.7 | 52% | 0.524 | 56% | 0.559 | S | S | . | * | trans | -64 | 130.1 | 177.6 | -67.7 | 172.4 | 0 | 0 | 0 | 110.3 | D261 T262 V263 | L259-D261 PolarHBondContact O-N 2.9Å; L259-D261 VanDerWaalsContact O-N 3.16Å; L259-T262 HydrophobicContact CB-CG2 4.17Å; L259-T262 PolarHBondContact O-N 2.81Å; L259-T262 VanDerWaalsContact O-N 3.11Å; L259-T262 PolarHBondContact O-OG1 3.28Å; L259-V263 PolarHBondContact O-N 3.09Å; L259-V263 VanDerWaalsContact O-N 3.16Å | ||
| 260 | H | 86.4 | Confident | 88.8 | Confident | 149 Ų | 149 | 107.7 Ų | 107.7 | 69% | 0.69 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -57.7 | -34.6 | -178 | -179.6 | -88.4 | 0 | 0 | 0 | 112.4 | K258 R264 | K258-H260 PolarHBondContact O-N 2.86Å; H260-R264 WeakPolarHBondContact O-CB 3.18Å; H260-R264 PolarHBondContact O-N 3.29Å |
| 261 | D | 88.9 | Confident | 89 | Confident | 124 Ų | 124 | 108 Ų | 108 | 66% | 0.663 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -68.4 | -37.6 | 179.1 | -67.3 | -20.3 | 0 | 0 | 0 | 112.8 | L259 A265 | L259-D261 PolarHBondContact O-N 2.9Å; L259-D261 VanDerWaalsContact O-N 3.16Å; D261-A265 VanDerWaalsContact O-CB 3.32Å; D261-A265 WeakPolarHBondContact O-CB 3.48Å; D261-A265 PolarHBondContact O-N 2.86Å |
| 262 | T | 87.7 | Confident | 89.3 | Confident | 50 Ų | 50 | 105.4 Ų | 105.4 | 31% | 0.307 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70.8 | -41.8 | 177.3 | 58.8 | 0 | 0 | 0 | 0 | 110.7 | L259 A265 I266 | L259-T262 HydrophobicContact CB-CG2 4.17Å; L259-T262 PolarHBondContact O-N 2.81Å; L259-T262 VanDerWaalsContact O-N 3.11Å; L259-T262 PolarHBondContact O-OG1 3.28Å; T262-A265 PolarHBondContact O-N 2.94Å; T262-I266 VanDerWaalsContact O-CG1 3.24Å; T262-I266 WeakPolarHBondContact O-CG1 3.49Å; T262-I266 PolarHBondContact O-N 3.2Å |
| 263 | V | 91 | Very high | 89.5 | Confident | 56 Ų | 56 | 105.2 Ų | 105.2 | 34% | 0.339 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.5 | -47.5 | 174.8 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | L259 A265 I266 H267 | L259-V263 PolarHBondContact O-N 3.09Å; L259-V263 VanDerWaalsContact O-N 3.16Å; V263-A265 VanDerWaalsContact C-N 3.34Å; V263-A265 PolarHBondContact O-N 3.43Å; V263-I266 PolarHBondContact O-N 3.45Å; V263-H267 WeakPolarHBondContact CG1-NE2 3.46Å; V263-H267 PolarHBondContact O-CD2 3.32Å; V263-H267 PolarHBondContact O-N 3.13Å |
| 264 | R | 91.6 | Very high | 89.7 | Confident | 169 Ų | 169 | 102.6 Ų | 102.6 | 64% | 0.638 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -59.4 | -44.2 | 175.4 | -177.5 | -179.9 | 171 | -138.3 | -2.7 | 111.6 | H260 H267 V268 | H260-R264 WeakPolarHBondContact O-CB 3.18Å; H260-R264 PolarHBondContact O-N 3.29Å; R264-H267 PolarHBondContact O-N 3.09Å; R264-V268 WeakPolarHBondContact O-CG2 3.31Å; R264-V268 PolarHBondContact O-N 3.49Å |
| 265 | A | 91.7 | Very high | 90.1 | Very high | 59 Ų | 59 | 101.8 Ų | 101.8 | 49% | 0.488 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.3 | -42 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D261 T262 V263 H267 V268 N269 | D261-A265 VanDerWaalsContact O-CB 3.32Å; D261-A265 WeakPolarHBondContact O-CB 3.48Å; D261-A265 PolarHBondContact O-N 2.86Å; T262-A265 PolarHBondContact O-N 2.94Å; V263-A265 VanDerWaalsContact C-N 3.34Å; V263-A265 PolarHBondContact O-N 3.43Å; A265-H267 VanDerWaalsContact C-N 3.35Å; A265-H267 PolarHBondContact O-N 2.94Å; A265-V268 PolarHBondContact O-N 3.22Å; A265-N269 WeakPolarHBondContact O-CB 3.12Å; A265-N269 PolarHBondContact O-N 3.16Å |
| 266 | I | 91.7 | Very high | 90.6 | Very high | 88 Ų | 88 | 102.2 Ų | 102.2 | 45% | 0.451 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 175.6 | -69.3 | 164.3 | 0 | 0 | 0 | 110.5 | T262 V263 N269 T270 | T262-I266 VanDerWaalsContact O-CG1 3.24Å; T262-I266 WeakPolarHBondContact O-CG1 3.49Å; T262-I266 PolarHBondContact O-N 3.2Å; V263-I266 PolarHBondContact O-N 3.45Å; I266-N269 PolarHBondContact O-N 3.36Å; I266-T270 WeakPolarHBondContact O-CB 3.42Å; I266-T270 PolarHBondContact O-N 3.42Å; I266-T270 PolarHBondContact O-OG1 3Å |
| 267 | H | 92.4 | Very high | 91.4 | Very high | 122 Ų | 122 | 103.1 Ų | 103.1 | 57% | 0.565 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.2 | -43.7 | 177.3 | -74.6 | -56.4 | 0 | 0 | 0 | 112.9 | V263 R264 A265 T270 N271 | V263-H267 WeakPolarHBondContact CG1-NE2 3.46Å; V263-H267 PolarHBondContact O-CD2 3.32Å; V263-H267 PolarHBondContact O-N 3.13Å; R264-H267 PolarHBondContact O-N 3.09Å; A265-H267 VanDerWaalsContact C-N 3.35Å; A265-H267 PolarHBondContact O-N 2.94Å; H267-T270 PolarHBondContact O-N 2.96Å; H267-N271 WeakPolarHBondContact O-CB 3.48Å; H267-N271 PolarHBondContact O-N 3.41Å |
| 268 | V | 95.1 | Very high | 92.3 | Very high | 76 Ų | 76 | 103.6 Ų | 103.6 | 46% | 0.461 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.9 | -49.7 | 175.9 | 172.5 | 0 | 0 | 0 | 0 | 110.1 | R264 A265 T270 N271 D272 | R264-V268 WeakPolarHBondContact O-CG2 3.31Å; R264-V268 PolarHBondContact O-N 3.49Å; A265-V268 PolarHBondContact O-N 3.22Å; V268-T270 VanDerWaalsContact C-N 3.32Å; V268-T270 PolarHBondContact O-N 3.25Å; V268-N271 WeakPolarHBondContact O-CB 3.36Å; V268-N271 PolarHBondContact O-N 2.93Å; V268-D272 PolarHBondContact O-N 2.93Å |
| 269 | N | 94.9 | Very high | 93.1 | Very high | 87 Ų | 87 | 98.3 Ų | 98.3 | 47% | 0.465 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.5 | -38.3 | 179.1 | -172.1 | 35 | 0 | 0 | 0 | 112.6 | A265 I266 D272 Q273 | A265-N269 WeakPolarHBondContact O-CB 3.12Å; A265-N269 PolarHBondContact O-N 3.16Å; I266-N269 PolarHBondContact O-N 3.36Å; N269-D272 PolarHBondContact O-N 3.17Å; N269-Q273 WeakPolarHBondContact O-CG 3.4Å; N269-Q273 PolarHBondContact O-N 3.42Å |
| 270 | T | 95.9 | Very high | 93.6 | Very high | 69 Ų | 69 | 95.5 Ų | 95.5 | 42% | 0.423 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65 | -42.1 | 176.7 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | I266 H267 V268 Q273 M274 | I266-T270 WeakPolarHBondContact O-CB 3.42Å; I266-T270 PolarHBondContact O-N 3.42Å; I266-T270 PolarHBondContact O-OG1 3Å; H267-T270 PolarHBondContact O-N 2.96Å; V268-T270 VanDerWaalsContact C-N 3.32Å; V268-T270 PolarHBondContact O-N 3.25Å; T270-Q273 PolarHBondContact O-N 3.12Å; T270-M274 VanDerWaalsContact O-CB 3.27Å; T270-M274 WeakPolarHBondContact O-CB 3.44Å; T270-M274 PolarHBondContact O-N 3.26Å |
| 271 | N | 96.2 | Very high | 94 | Very high | 107 Ų | 107 | 90.8 Ų | 90.8 | 57% | 0.572 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.4 | -42.6 | 177.3 | -171.1 | 36.9 | 0 | 0 | 0 | 111.6 | H267 V268 M274 L275 | H267-N271 WeakPolarHBondContact O-CB 3.48Å; H267-N271 PolarHBondContact O-N 3.41Å; V268-N271 WeakPolarHBondContact O-CB 3.36Å; V268-N271 PolarHBondContact O-N 2.93Å; N271-M274 PolarHBondContact O-N 3.27Å; N271-L275 PolarHBondContact O-N 3.29Å |
| 272 | D | 96.2 | Very high | 94.4 | Very high | 87 Ų | 87 | 89.8 Ų | 89.8 | 47% | 0.465 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.1 | -42.7 | 176.9 | -67.7 | -19.3 | 0 | 0 | 0 | 111.8 | V268 N269 M274 L275 V276 | V268-D272 PolarHBondContact O-N 2.93Å; N269-D272 PolarHBondContact O-N 3.17Å; D272-M274 VanDerWaalsContact C-N 3.34Å; D272-M274 PolarHBondContact O-N 3.49Å; D272-L275 WeakPolarHBondContact O-CB 3.34Å; D272-L275 PolarHBondContact O-N 2.9Å; D272-V276 PolarHBondContact O-N 3.46Å |
| 273 | Q | 95.3 | Very high | 94.8 | Very high | 110 Ų | 110 | 92.4 Ų | 92.4 | 51% | 0.514 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 174 | -73 | 179.1 | -1.2 | 0 | 0 | 112.1 | N269 T270 L275 V276 I277 | N269-Q273 WeakPolarHBondContact O-CG 3.4Å; N269-Q273 PolarHBondContact O-N 3.42Å; T270-Q273 PolarHBondContact O-N 3.12Å; Q273-L275 VanDerWaalsContact C-N 3.33Å; Q273-L275 PolarHBondContact O-N 3.34Å; Q273-V276 PolarHBondContact O-N 3.09Å; Q273-I277 WeakPolarHBondContact O-CG1 3.3Å; Q273-I277 PolarHBondContact O-N 3.4Å |
| 274 | M | 95.8 | Very high | 95 | Very high | 87 Ų | 87 | 99 Ų | 99 | 43% | 0.429 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.1 | -38.1 | 178.4 | -171.9 | 170.6 | -178.7 | 0 | 0 | 111.8 | T270 N271 D272 V276 I277 Y278 | T270-M274 VanDerWaalsContact O-CB 3.27Å; T270-M274 WeakPolarHBondContact O-CB 3.44Å; T270-M274 PolarHBondContact O-N 3.26Å; N271-M274 PolarHBondContact O-N 3.27Å; D272-M274 VanDerWaalsContact C-N 3.34Å; D272-M274 PolarHBondContact O-N 3.49Å; M274-V276 VanDerWaalsContact C-N 3.34Å; M274-V276 PolarHBondContact O-N 3.23Å; M274-I277 PolarHBondContact O-N 3.46Å; M274-Y278 HydrophobicContact CE-CE2 3.47Å; M274-Y278 VanDerWaalsContact CE-CE2 3.47Å; M274-Y278 WeakPolarHBondContact CE-OH 3.41Å; M274-Y278 HydrophobicContact CG-CD2 3.89Å; M274-Y278 HydrophobicContact CG-CE2 3.46Å; M274-Y278 VanDerWaalsContact CG-CE2 3.46Å; M274-Y278 WeakPolarHBondContact O-CD2 3.49Å; M274-Y278 PolarHBondContact O-N 2.82Å; M274-Y278 HydrophobicContact SD-CE2 4.12Å |
| 275 | L | 95.1 | Very high | 95.3 | Very high | 106 Ų | 106 | 93.9 Ų | 93.9 | 56% | 0.555 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.3 | -45.3 | 172.7 | 179.2 | 63.4 | 0 | 0 | 0 | 111.8 | N271 D272 Q273 I277 Y278 V279 | N271-L275 PolarHBondContact O-N 3.29Å; D272-L275 WeakPolarHBondContact O-CB 3.34Å; D272-L275 PolarHBondContact O-N 2.9Å; Q273-L275 VanDerWaalsContact C-N 3.33Å; Q273-L275 PolarHBondContact O-N 3.34Å; L275-I277 VanDerWaalsContact C-N 3.32Å; L275-I277 PolarHBondContact O-N 3.23Å; L275-Y278 PolarHBondContact O-N 3.11Å; L275-V279 HydrophobicContact CD1-CG2 4.45Å; L275-V279 WeakPolarHBondContact O-CG2 3.28Å; L275-V279 PolarHBondContact O-N 2.63Å |
| 276 | V | 95.9 | Very high | 95.5 | Very high | 101 Ų | 101 | 96.3 Ų | 96.3 | 61% | 0.612 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.9 | -41.6 | 177 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | D272 Q273 M274 Y278 V279 A280 | D272-V276 PolarHBondContact O-N 3.46Å; Q273-V276 PolarHBondContact O-N 3.09Å; M274-V276 VanDerWaalsContact C-N 3.34Å; M274-V276 PolarHBondContact O-N 3.23Å; V276-Y278 VanDerWaalsContact C-N 3.34Å; V276-Y278 PolarHBondContact O-N 3.16Å; V276-V279 PolarHBondContact O-N 3.5Å; V276-A280 WeakPolarHBondContact O-CB 3.45Å; V276-A280 PolarHBondContact O-N 3.14Å |
| 277 | I | 95 | Very high | 95.7 | Very high | 116 Ų | 116 | 97.1 Ų | 97.1 | 60% | 0.595 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.4 | -42.8 | 176.3 | -66.3 | 167.1 | 0 | 0 | 0 | 110.8 | Q273 M274 L275 A280 A281 | Q273-I277 WeakPolarHBondContact O-CG1 3.3Å; Q273-I277 PolarHBondContact O-N 3.4Å; M274-I277 PolarHBondContact O-N 3.46Å; L275-I277 VanDerWaalsContact C-N 3.32Å; L275-I277 PolarHBondContact O-N 3.23Å; I277-A280 PolarHBondContact O-N 3.4Å; I277-A281 WeakPolarHBondContact O-CB 3.38Å; I277-A281 PolarHBondContact O-N 3.35Å |
| 278 | Y | 96.2 | Very high | 95.9 | Very high | 129 Ų | 129 | 94.1 Ų | 94.1 | 51% | 0.506 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.8 | -46.4 | 177.6 | -79.1 | -58 | 0 | 0 | 0 | 112.8 | M274 L275 V276 A280 A281 I282 | M274-Y278 HydrophobicContact CE-CE2 3.47Å; M274-Y278 VanDerWaalsContact CE-CE2 3.47Å; M274-Y278 WeakPolarHBondContact CE-OH 3.41Å; M274-Y278 HydrophobicContact CG-CD2 3.89Å; M274-Y278 HydrophobicContact CG-CE2 3.46Å; M274-Y278 VanDerWaalsContact CG-CE2 3.46Å; M274-Y278 WeakPolarHBondContact O-CD2 3.49Å; M274-Y278 PolarHBondContact O-N 2.82Å; M274-Y278 HydrophobicContact SD-CE2 4.12Å; L275-Y278 PolarHBondContact O-N 3.11Å; V276-Y278 VanDerWaalsContact C-N 3.34Å; V276-Y278 PolarHBondContact O-N 3.16Å; Y278-A280 VanDerWaalsContact C-N 3.32Å; Y278-A280 PolarHBondContact O-N 2.89Å; Y278-A281 PolarHBondContact O-N 2.9Å; Y278-I282 WeakPolarHBondContact O-CG1 3.31Å; Y278-I282 PolarHBondContact O-N 3.23Å |
| 279 | V | 96.4 | Very high | 96 | Very high | 72 Ų | 72 | 95.3 Ų | 95.3 | 44% | 0.436 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 177.9 | 175.8 | 0 | 0 | 0 | 0 | 110.4 | L275 V276 A281 I282 M283 | L275-V279 HydrophobicContact CD1-CG2 4.45Å; L275-V279 WeakPolarHBondContact O-CG2 3.28Å; L275-V279 PolarHBondContact O-N 2.63Å; V276-V279 PolarHBondContact O-N 3.5Å; V279-A281 PolarHBondContact O-N 2.59Å; V279-I282 PolarHBondContact O-N 3.02Å; V279-M283 HydrophobicContact CG1-CE 3.84Å; V279-M283 HydrophobicContact CG1-SD 4.49Å; V279-M283 WeakPolarHBondContact O-CG 3.5Å; V279-M283 PolarHBondContact O-N 2.78Å |
| 280 | A | 95.8 | Very high | 96 | Very high | 42 Ų | 42 | 97.1 Ų | 97.1 | 35% | 0.347 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V276 I277 Y278 M283 R284 | V276-A280 WeakPolarHBondContact O-CB 3.45Å; V276-A280 PolarHBondContact O-N 3.14Å; I277-A280 PolarHBondContact O-N 3.4Å; Y278-A280 VanDerWaalsContact C-N 3.32Å; Y278-A280 PolarHBondContact O-N 2.89Å; A280-M283 PolarHBondContact O-N 3.25Å; A280-R284 WeakPolarHBondContact O-CG 3.37Å; A280-R284 PolarHBondContact O-N 3.06Å |
| 281 | A | 95.8 | Very high | 96 | Very high | 49 Ų | 49 | 98 Ų | 98 | 41% | 0.405 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I277 Y278 V279 R284 A285 | I277-A281 WeakPolarHBondContact O-CB 3.38Å; I277-A281 PolarHBondContact O-N 3.35Å; Y278-A281 PolarHBondContact O-N 2.9Å; V279-A281 PolarHBondContact O-N 2.59Å; A281-R284 PolarHBondContact O-N 3.24Å; A281-A285 PolarHBondContact O-N 2.89Å |
| 282 | I | 96.8 | Very high | 96 | Very high | 104 Ų | 104 | 98.1 Ų | 98.1 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.8 | -46.8 | 175.9 | -67.3 | 166.6 | 0 | 0 | 0 | 110.5 | Y278 V279 R284 A285 I286 | Y278-I282 WeakPolarHBondContact O-CG1 3.31Å; Y278-I282 PolarHBondContact O-N 3.23Å; V279-I282 PolarHBondContact O-N 3.02Å; I282-R284 VanDerWaalsContact C-N 3.34Å; I282-R284 PolarHBondContact O-N 3.47Å; I282-A285 WeakPolarHBondContact O-CB 3.45Å; I282-A285 PolarHBondContact O-N 2.92Å; I282-A285 VanDerWaalsContact O-N 3.15Å; I282-I286 HydrophobicContact CG2-CD1 3.89Å; I282-I286 HydrophobicContact CG2-CG1 4.49Å; I282-I286 WeakPolarHBondContact O-CG1 3.43Å; I282-I286 PolarHBondContact O-N 3.37Å |
| 283 | M | 96.4 | Very high | 95.9 | Very high | 104 Ų | 104 | 98.9 Ų | 98.9 | 51% | 0.512 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60 | -43.5 | 176.7 | -71.6 | -174.6 | -65.6 | 0 | 0 | 111.7 | V279 A280 A285 I286 L287 | V279-M283 HydrophobicContact CG1-CE 3.84Å; V279-M283 HydrophobicContact CG1-SD 4.49Å; V279-M283 WeakPolarHBondContact O-CG 3.5Å; V279-M283 PolarHBondContact O-N 2.78Å; A280-M283 PolarHBondContact O-N 3.25Å; M283-A285 VanDerWaalsContact C-N 3.32Å; M283-A285 PolarHBondContact O-N 3.16Å; M283-I286 PolarHBondContact O-N 3.33Å; M283-L287 WeakPolarHBondContact O-CG 3.45Å; M283-L287 PolarHBondContact O-N 2.93Å |
| 284 | R | 95.7 | Very high | 95.9 | Very high | 195 Ų | 195 | 96.4 Ų | 96.4 | 74% | 0.736 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.8 | -37.7 | 174.7 | -73.7 | -150.5 | -63 | 166.9 | -1.5 | 112.7 | A280 A281 I282 A288 | A280-R284 WeakPolarHBondContact O-CG 3.37Å; A280-R284 PolarHBondContact O-N 3.06Å; A281-R284 PolarHBondContact O-N 3.24Å; I282-R284 VanDerWaalsContact C-N 3.34Å; I282-R284 PolarHBondContact O-N 3.47Å; R284-A288 VanDerWaalsContact O-CB 3.28Å; R284-A288 WeakPolarHBondContact O-CB 3.42Å; R284-A288 PolarHBondContact O-N 3.21Å |
| 285 | A | 96.6 | Very high | 95.8 | Very high | 61 Ų | 61 | 96.9 Ų | 96.9 | 50% | 0.504 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.8 | -40.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A281 I282 M283 L289 | A281-A285 PolarHBondContact O-N 2.89Å; I282-A285 WeakPolarHBondContact O-CB 3.45Å; I282-A285 PolarHBondContact O-N 2.92Å; I282-A285 VanDerWaalsContact O-N 3.15Å; M283-A285 VanDerWaalsContact C-N 3.32Å; M283-A285 PolarHBondContact O-N 3.16Å; A285-L289 WeakPolarHBondContact O-CB 3.49Å; A285-L289 PolarHBondContact O-N 3.16Å |
| 286 | I | 96.4 | Very high | 95.7 | Very high | 111 Ų | 111 | 99.3 Ų | 99.3 | 57% | 0.569 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.2 | -44.4 | 176.4 | -66.2 | 166.9 | 0 | 0 | 0 | 110.7 | I282 M283 L289 H290 | I282-I286 HydrophobicContact CG2-CD1 3.89Å; I282-I286 HydrophobicContact CG2-CG1 4.49Å; I282-I286 WeakPolarHBondContact O-CG1 3.43Å; I282-I286 PolarHBondContact O-N 3.37Å; M283-I286 PolarHBondContact O-N 3.33Å; I286-L289 PolarHBondContact O-N 3.39Å; I286-H290 PolarHBondContact O-N 3.28Å |
| 287 | L | 96.2 | Very high | 95.6 | Very high | 105 Ų | 105 | 99.5 Ų | 99.5 | 55% | 0.55 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.1 | -47.3 | 176.4 | -70.1 | 173.5 | 0 | 0 | 0 | 111.5 | M283 L289 H290 D291 | M283-L287 WeakPolarHBondContact O-CG 3.45Å; M283-L287 PolarHBondContact O-N 2.93Å; L287-L289 PolarHBondContact O-N 3.49Å; L287-H290 WeakPolarHBondContact O-CB 3.44Å; L287-H290 PolarHBondContact O-N 3.41Å; L287-D291 VanDerWaalsContact O-CG 3.32Å; L287-D291 PolarHBondContact O-N 3.2Å |
| 288 | A | 96.8 | Very high | 95.4 | Very high | 58 Ų | 58 | 97.1 Ų | 97.1 | 48% | 0.479 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.5 | -34.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R284 L292 | R284-A288 VanDerWaalsContact O-CB 3.28Å; R284-A288 WeakPolarHBondContact O-CB 3.42Å; R284-A288 PolarHBondContact O-N 3.21Å; A288-L292 WeakPolarHBondContact O-CB 3.37Å; A288-L292 PolarHBondContact O-N 3.32Å |
| 289 | L | 95.8 | Very high | 95.2 | Very high | 102 Ų | 102 | 95.7 Ų | 95.7 | 53% | 0.534 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.6 | -41.2 | 174.1 | -174.7 | 64.9 | 0 | 0 | 0 | 111.8 | A285 I286 L287 L292 I293 | A285-L289 WeakPolarHBondContact O-CB 3.49Å; A285-L289 PolarHBondContact O-N 3.16Å; I286-L289 PolarHBondContact O-N 3.39Å; L287-L289 PolarHBondContact O-N 3.49Å; L289-L292 PolarHBondContact O-N 3.4Å; L289-I293 HydrophobicContact CG-CD1 4.22Å; L289-I293 VanDerWaalsContact O-CG1 3.29Å; L289-I293 WeakPolarHBondContact O-CG1 3.31Å; L289-I293 PolarHBondContact O-N 3.25Å |
| 290 | H | 96.1 | Very high | 94.9 | Very high | 125 Ų | 125 | 99.8 Ų | 99.8 | 58% | 0.579 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.6 | -45.8 | 174.8 | -175 | 73.2 | 0 | 0 | 0 | 111.4 | I286 L287 L292 I293 S294 | I286-H290 PolarHBondContact O-N 3.28Å; L287-H290 WeakPolarHBondContact O-CB 3.44Å; L287-H290 PolarHBondContact O-N 3.41Å; H290-L292 VanDerWaalsContact C-N 3.32Å; H290-L292 PolarHBondContact O-N 3.23Å; H290-I293 PolarHBondContact O-N 3.33Å; H290-S294 WeakPolarHBondContact O-CB 3.32Å; H290-S294 PolarHBondContact O-N 2.88Å |
| 291 | D | 96.1 | Very high | 94.5 | Very high | 88 Ų | 88 | 102.9 Ų | 102.9 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.3 | -40.8 | 175.9 | -66.4 | -18.5 | 0 | 0 | 0 | 111.2 | L287 S294 N295 | L287-D291 VanDerWaalsContact O-CG 3.32Å; L287-D291 PolarHBondContact O-N 3.2Å; D291-S294 PolarHBondContact O-N 3.46Å; D291-N295 VanDerWaalsContact O-CB 3.28Å; D291-N295 WeakPolarHBondContact O-CB 3.07Å; D291-N295 PolarHBondContact O-N 2.99Å; D291-N295 PolarHBondContact O-ND2 3.33Å |
| 292 | L | 95.6 | Very high | 94.1 | Very high | 108 Ų | 108 | 103.6 Ų | 103.6 | 57% | 0.565 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.4 | -42.2 | 175.8 | 179.9 | 63.7 | 0 | 0 | 0 | 112.4 | A288 L289 H290 K296 | A288-L292 WeakPolarHBondContact O-CB 3.37Å; A288-L292 PolarHBondContact O-N 3.32Å; L289-L292 PolarHBondContact O-N 3.4Å; H290-L292 VanDerWaalsContact C-N 3.32Å; H290-L292 PolarHBondContact O-N 3.23Å; L292-K296 VanDerWaalsContact O-CB 3.31Å; L292-K296 WeakPolarHBondContact O-CB 3.5Å; L292-K296 PolarHBondContact O-N 3.29Å |
| 293 | I | 94.5 | Very high | 93.6 | Very high | 104 Ų | 104 | 104.3 Ų | 104.3 | 53% | 0.533 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.4 | -45.3 | 176.8 | -68.1 | 164.8 | 0 | 0 | 0 | 110 | L289 H290 K296 L297 | L289-I293 HydrophobicContact CG-CD1 4.22Å; L289-I293 VanDerWaalsContact O-CG1 3.29Å; L289-I293 WeakPolarHBondContact O-CG1 3.31Å; L289-I293 PolarHBondContact O-N 3.25Å; H290-I293 PolarHBondContact O-N 3.33Å; I293-K296 PolarHBondContact O-N 3.44Å; I293-L297 PolarHBondContact O-N 2.95Å |
| 294 | S | 95.1 | Very high | 92.8 | Very high | 57 Ų | 57 | 107 Ų | 107 | 40% | 0.399 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.7 | -52 | 176.6 | -170.2 | 0 | 0 | 0 | 0 | 111 | H290 D291 K296 L297 T298 | H290-S294 WeakPolarHBondContact O-CB 3.32Å; H290-S294 PolarHBondContact O-N 2.88Å; D291-S294 PolarHBondContact O-N 3.46Å; S294-K296 VanDerWaalsContact C-N 3.3Å; S294-K296 PolarHBondContact O-N 3.15Å; S294-L297 WeakPolarHBondContact O-CB 3.32Å; S294-L297 PolarHBondContact O-N 2.9Å; S294-L297 VanDerWaalsContact O-N 3.11Å; S294-T298 PolarHBondContact O-N 3.48Å; S294-T298 PolarHBondContact O-OG1 3.23Å; S294-T298 VanDerWaalsContact O-OG1 3.09Å |
| 295 | N | 93.6 | Very high | 92.1 | Very high | 97 Ų | 97 | 102.6 Ų | 102.6 | 52% | 0.519 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.1 | -40.8 | 177.6 | -71.3 | -16.4 | 0 | 0 | 0 | 112.2 | D291 N299 | D291-N295 VanDerWaalsContact O-CB 3.28Å; D291-N295 WeakPolarHBondContact O-CB 3.07Å; D291-N295 PolarHBondContact O-N 2.99Å; D291-N295 PolarHBondContact O-ND2 3.33Å; N295-N299 WeakPolarHBondContact O-CB 3.4Å; N295-N299 PolarHBondContact O-N 3.45Å; N295-N299 PolarHBondContact O-OD1 2.93Å |
| 296 | K | 93.8 | Very high | 91.1 | Very high | 157 Ų | 157 | 106.7 Ų | 106.7 | 68% | 0.683 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.7 | -37.3 | 177.8 | -171 | 174.6 | -177.4 | 176.3 | 0 | 112.6 | L292 I293 S294 R300 | L292-K296 VanDerWaalsContact O-CB 3.31Å; L292-K296 WeakPolarHBondContact O-CB 3.5Å; L292-K296 PolarHBondContact O-N 3.29Å; I293-K296 PolarHBondContact O-N 3.44Å; S294-K296 VanDerWaalsContact C-N 3.3Å; S294-K296 PolarHBondContact O-N 3.15Å; K296-R300 WeakPolarHBondContact O-CB 3.36Å; K296-R300 PolarHBondContact O-N 3.21Å; K296-R300 VanDerWaalsContact O-N 3.07Å |
| 297 | L | 92.3 | Very high | 89.6 | Confident | 105 Ų | 105 | 109 Ų | 109 | 55% | 0.55 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.7 | -48.4 | 175.6 | -165.4 | 94.3 | 0 | 0 | 0 | 110.3 | I293 S294 N299 R300 E301 | I293-L297 PolarHBondContact O-N 2.95Å; S294-L297 WeakPolarHBondContact O-CB 3.32Å; S294-L297 PolarHBondContact O-N 2.9Å; S294-L297 VanDerWaalsContact O-N 3.11Å; L297-N299 PolarHBondContact O-N 3.26Å; L297-R300 PolarHBondContact O-N 3.39Å; L297-E301 WeakPolarHBondContact O-CG 3.27Å; L297-E301 PolarHBondContact O-N 3.39Å |
| 298 | T | 92.6 | Very high | 87.8 | Confident | 67 Ų | 67 | 107 Ų | 107 | 41% | 0.411 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 177.3 | -54 | 0 | 0 | 0 | 0 | 112.1 | S294 R300 E301 T302 | S294-T298 PolarHBondContact O-N 3.48Å; S294-T298 PolarHBondContact O-OG1 3.23Å; S294-T298 VanDerWaalsContact O-OG1 3.09Å; T298-R300 PolarHBondContact O-N 2.99Å; T298-E301 PolarHBondContact O-N 3.42Å; T298-T302 WeakPolarHBondContact O-CG2 3.39Å; T298-T302 PolarHBondContact O-N 3.41Å; T298-T302 PolarHBondContact O-OG1 3.02Å |
| 299 | N | 90.6 | Very high | 85.9 | Confident | 98 Ų | 98 | 111.1 Ų | 111.1 | 52% | 0.524 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.1 | -41.1 | 175.5 | -74.2 | 1.9 | 0 | 0 | 0 | 111.9 | N295 L297 E301 T302 E303 | N295-N299 WeakPolarHBondContact O-CB 3.4Å; N295-N299 PolarHBondContact O-N 3.45Å; N295-N299 PolarHBondContact O-OD1 2.93Å; L297-N299 PolarHBondContact O-N 3.26Å; N299-E301 VanDerWaalsContact C-N 3.35Å; N299-E301 PolarHBondContact O-N 3.05Å; N299-T302 VanDerWaalsContact CA-OG1 3.26Å; N299-T302 WeakPolarHBondContact CA-OG1 3.25Å; N299-T302 PolarHBondContact O-N 2.93Å; N299-T302 PolarHBondContact O-OG1 3.38Å; N299-E303 WeakPolarHBondContact O-CB 3.31Å; N299-E303 WeakPolarHBondContact O-CG 3.12Å; N299-E303 PolarHBondContact O-N 3.09Å |
| 300 | R | 90.1 | Very high | 83.7 | Confident | 159 Ų | 159 | 109.7 Ų | 109.7 | 60% | 0.6 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.1 | -34.7 | 177.4 | -173.1 | -178.2 | 135.6 | 167.3 | -2 | 112.5 | K296 L297 T298 R304 | K296-R300 WeakPolarHBondContact O-CB 3.36Å; K296-R300 PolarHBondContact O-N 3.21Å; K296-R300 VanDerWaalsContact O-N 3.07Å; L297-R300 PolarHBondContact O-N 3.39Å; T298-R300 PolarHBondContact O-N 2.99Å; R300-R304 VanDerWaalsContact O-CG 3.28Å; R300-R304 WeakPolarHBondContact O-CG 3.48Å; R300-R304 PolarHBondContact O-N 3.11Å |
| 301 | E | 88 | Confident | 81.1 | Confident | 107 Ų | 107 | 107 Ų | 107 | 50% | 0.5 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -70.6 | -38.1 | 176 | -73.3 | 177.9 | 174.9 | 0 | 0 | 112.1 | L297 T298 N299 R304 N305 | L297-E301 WeakPolarHBondContact O-CG 3.27Å; L297-E301 PolarHBondContact O-N 3.39Å; T298-E301 PolarHBondContact O-N 3.42Å; N299-E301 VanDerWaalsContact C-N 3.35Å; N299-E301 PolarHBondContact O-N 3.05Å; E301-R304 PolarHBondContact O-N 3.12Å; E301-N305 PolarHBondContact O-N 2.96Å; E301-N305 PolarHBondContact O-ND2 2.67Å |
| 302 | T | 87.3 | Confident | 78.4 | Confident | 64 Ų | 64 | 109.7 Ų | 109.7 | 39% | 0.393 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.9 | -44.9 | 174.8 | 44.1 | 0 | 0 | 0 | 0 | 111.8 | T298 N299 R304 N305 E306 | T298-T302 WeakPolarHBondContact O-CG2 3.39Å; T298-T302 PolarHBondContact O-N 3.41Å; T298-T302 PolarHBondContact O-OG1 3.02Å; N299-T302 VanDerWaalsContact CA-OG1 3.26Å; N299-T302 WeakPolarHBondContact CA-OG1 3.25Å; N299-T302 PolarHBondContact O-N 2.93Å; N299-T302 PolarHBondContact O-OG1 3.38Å; T302-R304 VanDerWaalsContact C-N 3.33Å; T302-R304 PolarHBondContact O-N 3.37Å; T302-N305 PolarHBondContact O-N 3.3Å; T302-N305 VanDerWaalsContact O-N 3.1Å; T302-E306 WeakPolarHBondContact O-CG 2.95Å; T302-E306 PolarHBondContact O-N 2.88Å |
| 303 | E | 85.2 | Confident | 75.6 | Confident | 119 Ų | 119 | 110.4 Ų | 110.4 | 56% | 0.556 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -55.8 | -45 | 172.9 | -75.4 | 172.6 | 176.6 | 0 | 0 | 111.9 | N299 N305 E306 E307 | N299-E303 WeakPolarHBondContact O-CB 3.31Å; N299-E303 WeakPolarHBondContact O-CG 3.12Å; N299-E303 PolarHBondContact O-N 3.09Å; E303-N305 VanDerWaalsContact C-N 3.31Å; E303-N305 PolarHBondContact O-N 3.15Å; E303-E306 PolarHBondContact O-N 3.02Å; E303-E307 WeakPolarHBondContact O-CG 3.17Å; E303-E307 PolarHBondContact O-N 3Å |
| 304 | R | 81.7 | Confident | 72.7 | Confident | 160 Ų | 160 | 114 Ų | 114 | 60% | 0.604 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.1 | -33.9 | 177.6 | -72.9 | 176.5 | 88.6 | -166.4 | 6.2 | 113 | R300 E301 T302 G308 | R300-R304 VanDerWaalsContact O-CG 3.28Å; R300-R304 WeakPolarHBondContact O-CG 3.48Å; R300-R304 PolarHBondContact O-N 3.11Å; E301-R304 PolarHBondContact O-N 3.12Å; T302-R304 VanDerWaalsContact C-N 3.33Å; T302-R304 PolarHBondContact O-N 3.37Å; R304-G308 PolarHBondContact O-N 3.03Å; R304-G308 VanDerWaalsContact O-N 3.11Å |
| 305 | N | 79.9 | Confident | 69.7 | Low | 103 Ų | 103 | 116.6 Ų | 116.6 | 55% | 0.551 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -73 | -37.6 | 177 | -69.8 | -20 | 0 | 0 | 0 | 111.2 | E301 T302 E303 G308 L309 | E301-N305 PolarHBondContact O-N 2.96Å; E301-N305 PolarHBondContact O-ND2 2.67Å; T302-N305 PolarHBondContact O-N 3.3Å; T302-N305 VanDerWaalsContact O-N 3.1Å; E303-N305 VanDerWaalsContact C-N 3.31Å; E303-N305 PolarHBondContact O-N 3.15Å; N305-G308 PolarHBondContact O-N 3.08Å; N305-L309 VanDerWaalsContact O-CD1 3.28Å; N305-L309 WeakPolarHBondContact O-CD1 3.3Å; N305-L309 PolarHBondContact O-N 2.97Å; N305-L309 VanDerWaalsContact O-N 3.12Å |
| 306 | E | 75.3 | Confident | 66.9 | Low | 146 Ų | 146 | 121 Ų | 121 | 68% | 0.682 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -66.8 | -41.9 | 175.1 | -70.8 | -177.9 | 175.1 | 0 | 0 | 112.1 | T302 E303 G308 L309 G310 | T302-E306 WeakPolarHBondContact O-CG 2.95Å; T302-E306 PolarHBondContact O-N 2.88Å; E303-E306 PolarHBondContact O-N 3.02Å; E306-G308 VanDerWaalsContact C-N 3.28Å; E306-G308 PolarHBondContact O-N 3.3Å; E306-L309 PolarHBondContact O-N 3.43Å; E306-G310 PolarHBondContact O-N 2.63Å; E306-G310 VanDerWaalsContact O-N 3.1Å |
| 307 | E | 64.7 | Low | 64.1 | Low | 160 Ų | 160 | 122.6 Ų | 122.6 | 75% | 0.748 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -63.7 | -32.7 | 173.3 | -72.2 | -177.3 | 168 | 0 | 0 | 112.3 | E303 | E303-E307 WeakPolarHBondContact O-CG 3.17Å; E303-E307 PolarHBondContact O-N 3Å |
| 308 | G | 59.9 | Low | 61.5 | Low | 64 Ų | 64 | 123.2 Ų | 123.2 | 66% | 0.66 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -75.3 | -23.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | R304 N305 E306 | R304-G308 PolarHBondContact O-N 3.03Å; R304-G308 VanDerWaalsContact O-N 3.11Å; N305-G308 PolarHBondContact O-N 3.08Å; E306-G308 VanDerWaalsContact C-N 3.28Å; E306-G308 PolarHBondContact O-N 3.3Å |
| 309 | L | 56.8 | Low | 58.8 | Low | 144 Ų | 144 | 126 Ų | 126 | 75% | 0.754 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -97.4 | -13.6 | 178.7 | -87 | 125.6 | 0 | 0 | 0 | 113.5 | N305 E306 G311 | N305-L309 VanDerWaalsContact O-CD1 3.28Å; N305-L309 WeakPolarHBondContact O-CD1 3.3Å; N305-L309 PolarHBondContact O-N 2.97Å; N305-L309 VanDerWaalsContact O-N 3.12Å; E306-L309 PolarHBondContact O-N 3.43Å; L309-G311 PolarHBondContact O-N 3.49Å |
| 310 | G | 48.3 | Very low | 56.2 | Low | 72 Ų | 72 | 128.5 Ų | 128.5 | 74% | 0.742 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | 2.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | E306 | E306-G310 PolarHBondContact O-N 2.63Å; E306-G310 VanDerWaalsContact O-N 3.1Å |
| 311 | G | 42.1 | Very low | 53.7 | Low | 68 Ų | 68 | 123.3 Ų | 123.3 | 70% | 0.701 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | -1.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | L309 | L309-G311 PolarHBondContact O-N 3.49Š|
| 312 | N | 39 | Very low | 51.5 | Low | 144 Ų | 144 | 124.6 Ų | 124.6 | 77% | 0.77 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -131.9 | 101.1 | -177.7 | -101.6 | -14 | 0 | 0 | 0 | 112.9 | ||
| 313 | T | 37.9 | Very low | 48.9 | Very low | 123 Ų | 123 | 127.3 Ų | 127.3 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | trans | 65 | 109.6 | 141.8 | -19 | 0 | 0 | 0 | 0 | 118.5 | S315 | T313-S315 PolarHBondContact O-N 2.89Š| ||
| 314 | E | 31.9 | Very low | 46.4 | Very low | 181 Ų | 181 | 128.5 Ų | 128.5 | 85% | 0.846 | 74% | 0.735 | S | S | * | * | trans | -19 | 110 | 148.3 | -61.3 | 175.4 | 148.3 | 0 | 0 | 113.8 | ||||
| 315 | S | 32.6 | Very low | 44.1 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | 170.7 | 121.9 | 145 | -84.5 | 0 | 0 | 0 | 0 | 112.5 | T313 | T313-S315 PolarHBondContact O-N 2.89Š| ||
| 316 | K | 35.8 | Very low | 42 | Very low | 189 Ų | 189 | 131.9 Ų | 131.9 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | 93.5 | 99.3 | 155.9 | -62.5 | 171.5 | 179.9 | 173 | 0 | 118.9 | ||||
| 317 | K | 35 | Very low | 40 | Very low | 191 Ų | 191 | 132.1 Ų | 132.1 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | 79.4 | 108.2 | 115.9 | -75.9 | -176.9 | 175.5 | -173.9 | 0 | 119.8 | |||||
| 318 | V | 37.2 | Very low | 38.5 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 71% | 0.709 | 77% | 0.766 | S | S | * | * | trans | 80.3 | 122 | 134.9 | -170.7 | 0 | 0 | 0 | 0 | 117.5 | I320 | V318-I320 PolarHBondContact O-N 3.45Š| ||
| 319 | P | 34.6 | Very low | 37.3 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -77.4 | 122 | 174.6 | 32.1 | -29.5 | 0 | 0 | 0 | 109.6 | ||||
| 320 | I | 37.7 | Very low | 36.3 | Very low | 150 Ų | 150 | 134 Ų | 134 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -100.4 | 107 | 165.2 | -61.9 | 173 | 0 | 0 | 0 | 105.5 | V318 V323 | V318-I320 PolarHBondContact O-N 3.45Å; I320-V323 HydrophobicContact CG2-CG2 4.38Å | ||
| 321 | G | 36.4 | Very low | 35.8 | Very low | 50 Ų | 50 | 136.2 Ų | 136.2 | 52% | 0.515 | 78% | 0.776 | S | S | . | * | P | Polyproline II helix | trans | -62.6 | 166 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V323 | G321-V323 PolarHBondContact O-N 3.4Š|
| 322 | P | 41.3 | Very low | 35.4 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 87% | 0.87 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 116.2 | -176.8 | 26.5 | -31.2 | 0 | 0 | 0 | 109.1 | D324 | P322-D324 PolarHBondContact O-N 3.45Š|
| 323 | V | 33.6 | Very low | 35 | Very low | 121 Ų | 121 | 142.5 Ų | 142.5 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 116.1 | 174.4 | 175 | 0 | 0 | 0 | 0 | 107.5 | I320 G321 Q325 | I320-V323 HydrophobicContact CG2-CG2 4.38Å; G321-V323 PolarHBondContact O-N 3.4Å; V323-Q325 PolarHBondContact O-N 3.25Å |
| 324 | D | 31.9 | Very low | 34.8 | Very low | 144 Ų | 144 | 140.5 Ų | 140.5 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | -41.4 | 117.6 | 162.4 | -76.5 | -48 | 0 | 0 | 0 | 110.8 | P322 N326 | P322-D324 PolarHBondContact O-N 3.45Å; D324-N326 PolarHBondContact O-N 3.26Å | ||
| 325 | Q | 34.4 | Very low | 34.9 | Very low | 206 Ų | 206 | 136.2 Ų | 136.2 | 96% | 0.963 | 79% | 0.788 | S | S | * | * | trans | -80.1 | 78.3 | 159.8 | -74.4 | -173.4 | 13.3 | 0 | 0 | 107.9 | V323 | V323-Q325 PolarHBondContact O-N 3.25Š| ||
| 326 | N | 35.7 | Very low | 35.1 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 69% | 0.69 | 79% | 0.791 | S | S | * | * | trans | -126.7 | 129.5 | 160.1 | -143.2 | 3.8 | 0 | 0 | 0 | 108.6 | D324 | D324-N326 PolarHBondContact O-N 3.26Š| ||
| 327 | N | 34 | Very low | 35.1 | Very low | 150 Ų | 150 | 135.6 Ų | 135.6 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | 73.8 | 96.4 | 165.5 | -68 | -19.2 | 0 | 0 | 0 | 120.2 | ||||
| 328 | G | 31.4 | Very low | 35.1 | Very low | 76 Ų | 76 | 134.4 Ų | 134.4 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | trans | -89.9 | 118.7 | 147.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 329 | K | 36.4 | Very low | 35 | Very low | 201 Ų | 201 | 131.7 Ų | 131.7 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | 165.1 | 89.4 | 149.5 | -94.3 | 173.5 | -178.8 | -174.6 | 0 | 107.8 | ||||
| 330 | V | 35.7 | Very low | 35.2 | Very low | 130 Ų | 130 | 133.9 Ų | 133.9 | 79% | 0.788 | 79% | 0.785 | S | S | * | * | 73.9 | 103.6 | 89.5 | 174.5 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 331 | V | 36.4 | Very low | 35.1 | Very low | 119 Ų | 119 | 133 Ų | 133 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | trans | 75.2 | 129.2 | 139.4 | -175.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 332 | E | 35.4 | Very low | 34.9 | Very low | 180 Ų | 180 | 135 Ų | 135 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | cis | -170.9 | 171.3 | 48.1 | -148.4 | 157.6 | -162.3 | 0 | 0 | 112.6 | ||||
| 333 | N | 29.7 | Very low | 34.9 | Very low | 165 Ų | 165 | 133.6 Ų | 133.6 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | trans | -70 | 154.7 | -169.7 | -64.1 | -59.3 | 0 | 0 | 0 | 116.8 | ||||
| 334 | G | 33.7 | Very low | 35.2 | Very low | 80 Ų | 80 | 137.9 Ų | 137.9 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -179.9 | 98.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 335 | A | 34.8 | Very low | 35.6 | Very low | 92 Ų | 92 | 139.5 Ų | 139.5 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | trans | -63.8 | 160.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 336 | K | 35.9 | Very low | 35.8 | Very low | 192 Ų | 192 | 138.7 Ų | 138.7 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | 92.7 | 114.7 | 143.7 | -78.2 | 169.7 | -177.3 | -179.6 | 0 | 121.3 | ||||
| 337 | S | 36.8 | Very low | 36.1 | Very low | 94 Ų | 94 | 139.5 Ų | 139.5 | 66% | 0.657 | 79% | 0.788 | S | S | * | * | 97.7 | 126 | 115.3 | 72.8 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 338 | N | 33.3 | Very low | 36.5 | Very low | 167 Ų | 167 | 139.9 Ų | 139.9 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | trans | 66.5 | 137.1 | 143.6 | -54.6 | -13.3 | 0 | 0 | 0 | 117.2 | ||||
| 339 | G | 35.1 | Very low | 37.4 | Very low | 60 Ų | 60 | 149.9 Ų | 149.9 | 62% | 0.619 | 81% | 0.812 | S | S | * | * | cis | 153.2 | 165 | 14.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 340 | L | 40.2 | Very low | 37.5 | Very low | 171 Ų | 171 | 147.3 Ų | 147.3 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | trans | 71 | 143 | 162.7 | -68.9 | 139.1 | 0 | 0 | 0 | 116.5 | ||||
| 341 | D | 36 | Very low | 37.5 | Very low | 132 Ų | 132 | 148.2 Ų | 148.2 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | cis | -167.7 | 155.7 | -5.2 | -163.9 | -3.9 | 0 | 0 | 0 | 107.1 | ||||
| 342 | S | 32.2 | Very low | 37.6 | Very low | 93 Ų | 93 | 149.8 Ų | 149.8 | 65% | 0.65 | 81% | 0.814 | S | S | * | * | trans | -74.9 | 140.2 | 173.2 | 58.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 343 | S | 41.2 | Very low | 37.7 | Very low | 103 Ų | 103 | 148.1 Ų | 148.1 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | trans | 166.4 | 139.3 | 158.3 | -85.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 344 | R | 39 | Very low | 38.2 | Very low | 212 Ų | 212 | 147 Ų | 147 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | cis | -172.5 | 144.3 | 13.5 | -107 | 163.7 | -176.2 | -173.1 | 0 | 107.1 | ||||
| 345 | K | 39.7 | Very low | 38.5 | Very low | 178 Ų | 178 | 151.5 Ų | 151.5 | 77% | 0.774 | 81% | 0.807 | S | S | * | * | trans | 54 | 112.9 | 137.1 | -66.3 | -179.9 | 175.9 | -178 | 0 | 118.4 | ||||
| 346 | K | 38.6 | Very low | 38.8 | Very low | 189 Ų | 189 | 155.7 Ų | 155.7 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | 58.9 | 114.1 | 88 | -85.4 | -167.5 | 174.2 | -173 | 0 | 114.2 | |||||
| 347 | T | 43.4 | Very low | 39 | Very low | 145 Ų | 145 | 152.9 Ų | 152.9 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | -164.3 | 119.9 | 122.2 | 32.4 | 0 | 0 | 0 | 0 | 110 | |||||
| 348 | D | 42.8 | Very low | 39.2 | Very low | 159 Ų | 159 | 157.8 Ų | 157.8 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | trans | -66.4 | 133.7 | 167.5 | -67.5 | -60.6 | 0 | 0 | 0 | 111.6 | ||||
| 349 | K | 49.5 | Very low | 39.8 | Very low | 285 Ų | 285 | 157 Ų | 157 | 100% | 1.239 | 82% | 0.815 | S | S | * | * | -166.9 | 0 | 124.6 | -113.2 | -172.6 | -177.8 | -176.2 | 0 | 110.9 |
Retrieved 349 of 349 residues in 399.2 ms
(Link to these results)