| 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 | 37.2 | Very low | 31.3 | Very low | 245 Ų | 245 | 176.3 Ų | 176.3 | 100% | 1.207 | 92% | 0.92 | S | S | * | * | 0 | 79.4 | 0 | -76.1 | 158.6 | 130.8 | 0 | 0 | 108.3 | |||||
| 2 | K | 31.1 | Very low | 30.8 | Very low | 207 Ų | 207 | 177.2 Ų | 177.2 | 90% | 0.9 | 91% | 0.911 | S | S | * | * | 55 | 82 | 91 | -79.7 | -170.7 | 179.2 | 178.6 | 0 | 115.2 | |||||
| 3 | C | 35.1 | Very low | 30.5 | Very low | 137 Ų | 137 | 173.8 Ų | 173.8 | 93% | 0.926 | 90% | 0.896 | S | S | * | * | 178.3 | 85.6 | 128.5 | -95.4 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 4 | R | 32.8 | Very low | 30.4 | Very low | 256 Ų | 256 | 176.6 Ų | 176.6 | 97% | 0.966 | 90% | 0.903 | S | S | * | * | trans | -107.8 | 97.5 | 164 | -102.3 | -177.8 | 169.9 | 179.6 | -2.3 | 107.5 | ||||
| 5 | G | 34.9 | Very low | 30.7 | Very low | 79 Ų | 79 | 175.3 Ų | 175.3 | 81% | 0.814 | 89% | 0.891 | S | S | * | * | trans | -84.6 | 122.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | A7 | G5-A7 PolarHBondContact O-N 2.82Š| ||
| 6 | K | 31 | Very low | 31.4 | Very low | 215 Ų | 215 | 168.7 Ų | 168.7 | 94% | 0.935 | 87% | 0.866 | S | S | * | * | trans | -67.7 | 113 | 176.3 | -71 | 169.8 | 173.2 | 172.7 | 0 | 110.8 | ||||
| 7 | A | 32.3 | Very low | 33.1 | Very low | 102 Ų | 102 | 166.8 Ų | 166.8 | 84% | 0.843 | 86% | 0.864 | S | S | * | * | trans | -112.7 | 84.2 | 163 | 0 | 0 | 0 | 0 | 0 | 109.5 | G5 | G5-A7 PolarHBondContact O-N 2.82Š| ||
| 8 | K | 28.4 | Very low | 35 | Very low | 202 Ų | 202 | 160.1 Ų | 160.1 | 88% | 0.878 | 83% | 0.826 | S | S | * | * | trans | -140.8 | 126.6 | 166.2 | -93.8 | -174.8 | 177.2 | 177.7 | 0 | 108.2 | ||||
| 9 | R | 27.1 | Very low | 37 | Very low | 253 Ų | 253 | 157.2 Ų | 157.2 | 96% | 0.955 | 82% | 0.819 | S | S | * | * | trans | 95.3 | 78.9 | 171.1 | -59.5 | 177.4 | 169.9 | 176.4 | -2.8 | 117 | ||||
| 10 | S | 27.6 | Very low | 39.1 | Very low | 120 Ų | 120 | 159.2 Ų | 159.2 | 84% | 0.839 | 82% | 0.82 | S | S | * | * | trans | -161.9 | 61.3 | 154.8 | 176.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 11 | S | 26.8 | Very low | 41.4 | Very low | 123 Ų | 123 | 152.9 Ų | 152.9 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -109.7 | 76.9 | 161.1 | 57.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 12 | K | 25.7 | Very low | 43.9 | Very low | 187 Ų | 187 | 144.8 Ų | 144.8 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | trans | -135.9 | 111.3 | 172.5 | -85.2 | -174.9 | 174.7 | 179.9 | 0 | 108.5 | ||||
| 13 | N | 27 | Very low | 46.6 | Very low | 134 Ų | 134 | 137.4 Ų | 137.4 | 72% | 0.717 | 72% | 0.723 | S | S | * | * | trans | 65 | 92.3 | 169 | -61.5 | -10.2 | 0 | 0 | 0 | 116.1 | H15 | N13-H15 PolarHBondContact O-CD2 3.16Å; N13-H15 PolarHBondContact O-N 3.36Å | ||
| 14 | E | 28.4 | Very low | 49.3 | Very low | 212 Ų | 212 | 139 Ų | 139 | 99% | 0.991 | 72% | 0.715 | S | S | * | * | trans | -57.5 | 108.7 | 155.5 | -80.7 | 172.8 | 160.4 | 0 | 0 | 108.3 | ||||
| 15 | H | 34.8 | Very low | 52 | Low | 157 Ų | 157 | 127.9 Ų | 127.9 | 73% | 0.727 | 68% | 0.68 | S | S | * | * | trans | -74.6 | 141.1 | -174.1 | -80.7 | -82.7 | 0 | 0 | 0 | 110.7 | N13 V17 | N13-H15 PolarHBondContact O-CD2 3.16Å; N13-H15 PolarHBondContact O-N 3.36Å; H15-V17 PolarHBondContact O-N 3.36Å | ||
| 16 | S | 42 | Very low | 54.7 | Low | 70 Ų | 70 | 124.1 Ų | 124.1 | 49% | 0.49 | 64% | 0.641 | S | S | . | * | trans | -47.9 | 123.1 | 162.7 | 56.6 | 0 | 0 | 0 | 0 | 109.7 | Y18 | S16-Y18 PolarHBondContact O-N 2.91Å; S16-Y18 PolarHBondContact OG-O 2.97Å | ||
| 17 | V | 59.6 | Low | 57.6 | Low | 136 Ų | 136 | 115.4 Ų | 115.4 | 82% | 0.824 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -57 | -20.1 | 178.8 | 179.3 | 0 | 0 | 0 | 0 | 112.1 | H15 | H15-V17 PolarHBondContact O-N 3.36Š|
| 18 | Y | 67.8 | Low | 60.4 | Low | 46 Ų | 46 | 118.1 Ų | 118.1 | 18% | 0.18 | 59% | 0.591 | C | S | . | * | S | Bend | trans | -97.2 | 146.1 | -176.6 | -56.1 | -68.9 | 0 | 0 | 0 | 113.2 | S16 A328 G332 | S16-Y18 PolarHBondContact O-N 2.91Å; S16-Y18 PolarHBondContact OG-O 2.97Å; Y18-A328 VanDerWaalsContact CB-O 3.3Å; Y18-A328 WeakPolarHBondContact CB-O 3.29Å; Y18-G332 VanDerWaalsContact CE1-C 3.42Å; Y18-G332 WeakPolarHBondContact CE1-O 3.43Å |
| 19 | P | 72.7 | Confident | 63.3 | Low | 106 Ų | 106 | 110.1 Ų | 110.1 | 69% | 0.688 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -63 | 149.1 | 177.2 | 26.9 | -34.4 | 0 | 0 | 0 | 111.6 | I21 | P19-I21 PolarHBondContact O-N 3.02Š|
| 20 | K | 80.4 | Confident | 66.4 | Low | 196 Ų | 196 | 98.8 Ų | 98.8 | 85% | 0.852 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -64 | 132.9 | 175.6 | -68.3 | -177.9 | -179.8 | 177.6 | 0 | 110.4 | ||
| 21 | I | 87.3 | Confident | 69.5 | Low | 28 Ų | 28 | 94.5 Ų | 94.5 | 14% | 0.144 | 49% | 0.486 | C | S | . | . | P | Polyproline II helix | trans | -88.7 | 129.8 | 176.7 | -64.1 | -173.1 | 0 | 0 | 0 | 110.1 | P19 L26 Q324 A327 A328 Y331 | P19-I21 PolarHBondContact O-N 3.02Å; I21-L26 HydrophobicContact CG2-CD2 4.39Å; I21-Q324 PolarHBondContact O-NE2 3.35Å; I21-A327 HydrophobicContact CD1-CB 3.91Å; I21-A327 VanDerWaalsContact CD1-O 3.27Å; I21-A327 WeakPolarHBondContact CD1-O 3.35Å; I21-A328 VanDerWaalsContact CD1-CA 3.48Å; I21-A328 HydrophobicContact CD1-CB 4.38Å; I21-A328 HydrophobicContact CG1-CB 4.19Å; I21-Y331 HydrophobicContact CD1-CD2 3.46Å; I21-Y331 VanDerWaalsContact CD1-CD2 3.46Å; I21-Y331 HydrophobicContact CD1-CE2 4.29Å; I21-Y331 HydrophobicContact CD1-CG 3.81Å |
| 22 | S | 90 | Very high | 72.7 | Confident | 74 Ų | 74 | 97.6 Ų | 97.6 | 52% | 0.517 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 158.5 | 171.8 | 70.1 | 0 | 0 | 0 | 0 | 110.8 | F24 G25 L26 | S22-F24 VanDerWaalsContact C-N 3.31Å; S22-F24 PolarHBondContact O-N 3.02Å; S22-G25 WeakPolarHBondContact O-CA 3.4Å; S22-G25 PolarHBondContact O-N 2.75Å; S22-G25 PolarHBondContact OG-N 3.04Å; S22-L26 PolarHBondContact O-N 3.47Å |
| 23 | F | 87.9 | Confident | 75.8 | Confident | 53 Ų | 53 | 92.7 Ų | 92.7 | 23% | 0.232 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -43.6 | -178.9 | 179.5 | -99.7 | 0 | 0 | 0 | 112.4 | G25 L26 F27 L155 F320 | F23-G25 PolarHBondContact O-N 2.97Å; F23-L26 HydrophobicContact CD2-CD1 3.92Å; F23-L26 HydrophobicContact CE2-CD1 4.13Å; F23-L26 VanDerWaalsContact O-CB 3.23Å; F23-L26 WeakPolarHBondContact O-CB 3.47Å; F23-L26 WeakPolarHBondContact O-CG 3.49Å; F23-L26 PolarHBondContact O-N 3.22Å; F23-L26 VanDerWaalsContact O-N 3.14Å; F23-F27 HydrophobicContact CE1-CE2 4.03Å; F23-F27 HydrophobicContact CZ-CE2 4.17Å; F23-L155 HydrophobicContact CE1-CD1 4.42Å; F23-L155 HydrophobicContact CZ-CD1 3.91Å; F23-L155 HydrophobicContact CZ-CD2 4.29Å; F23-F320 HydrophobicContact CD2-CB 4.17Å; F23-F320 HydrophobicContact CD2-CG 4.32Å; F23-F320 HydrophobicContact CE2-CB 4.07Å; F23-F320 AromaticContact CE2-CD1 3.73Å; F23-F320 HydrophobicContact CE2-CD1 3.73Å; F23-F320 HydrophobicContact CE2-CD2 4.29Å; F23-F320 HydrophobicContact CE2-CE1 4.23Å; F23-F320 AromaticContact CE2-CG 3.77Å; F23-F320 HydrophobicContact CE2-CG 3.77Å; F23-F320 HydrophobicContact CZ-CD1 4.45Å |
| 24 | F | 90.1 | Very high | 79 | Confident | 170 Ų | 170 | 86.4 Ų | 86.4 | 75% | 0.746 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -67.3 | -26.7 | 175.3 | -65.1 | -72.2 | 0 | 0 | 0 | 112.9 | S22 L26 F27 | S22-F24 VanDerWaalsContact C-N 3.31Å; S22-F24 PolarHBondContact O-N 3.02Å; F24-L26 PolarHBondContact O-N 3.1Å; F24-F27 PolarHBondContact O-N 3.35Å; F24-F27 VanDerWaalsContact O-N 3.15Å |
| 25 | G | 90.1 | Very high | 82.1 | Confident | 22 Ų | 22 | 80.2 Ų | 80.2 | 23% | 0.227 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -60.1 | -23 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S22 F23 F27 R28 Y331 | S22-G25 WeakPolarHBondContact O-CA 3.4Å; S22-G25 PolarHBondContact O-N 2.75Å; S22-G25 PolarHBondContact OG-N 3.04Å; F23-G25 PolarHBondContact O-N 2.97Å; G25-F27 PolarHBondContact O-N 3.27Å; G25-R28 WeakPolarHBondContact O-CB 3.46Å; G25-R28 PolarHBondContact O-N 3.29Å; G25-Y331 WeakPolarHBondContact O-CE2 3.37Å |
| 26 | L | 90.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -59.9 | -32.1 | 174.9 | -65.6 | 175.6 | 0 | 0 | 0 | 112.7 | I21 S22 F23 F24 R28 I151 A323 Q324 A327 Y331 | I21-L26 HydrophobicContact CG2-CD2 4.39Å; S22-L26 PolarHBondContact O-N 3.47Å; F23-L26 HydrophobicContact CD2-CD1 3.92Å; F23-L26 HydrophobicContact CE2-CD1 4.13Å; F23-L26 VanDerWaalsContact O-CB 3.23Å; F23-L26 WeakPolarHBondContact O-CB 3.47Å; F23-L26 WeakPolarHBondContact O-CG 3.49Å; F23-L26 PolarHBondContact O-N 3.22Å; F23-L26 VanDerWaalsContact O-N 3.14Å; F24-L26 PolarHBondContact O-N 3.1Å; L26-R28 VanDerWaalsContact C-N 3.3Å; L26-R28 PolarHBondContact O-N 3.19Å; L26-I151 HydrophobicContact CB-CG2 3.9Å; L26-I151 HydrophobicContact CD1-CG2 4.14Å; L26-A323 HydrophobicContact CD1-CB 4.14Å; L26-A323 HydrophobicContact CD2-CB 4.48Å; L26-Q324 HydrophobicContact CD1-CG 4.12Å; L26-Q324 HydrophobicContact CD2-CG 4.39Å; L26-Q324 HydrophobicContact CG-CG 4.35Å; L26-A327 HydrophobicContact CD2-CB 3.43Å; L26-A327 VanDerWaalsContact CD2-CB 3.43Å; L26-Y331 PolarHBondContact O-OH 2.74Å |
| 27 | F | 93.3 | Very high | 87.4 | Confident | 32 Ų | 32 | 73.7 Ų | 73.7 | 14% | 0.14 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -88.3 | 10.5 | -175.1 | -62.6 | -84.1 | 0 | 0 | 0 | 113.9 | F23 F24 G25 Y29 A30 L38 I151 L155 | F23-F27 HydrophobicContact CE1-CE2 4.03Å; F23-F27 HydrophobicContact CZ-CE2 4.17Å; F24-F27 PolarHBondContact O-N 3.35Å; F24-F27 VanDerWaalsContact O-N 3.15Å; G25-F27 PolarHBondContact O-N 3.27Å; F27-Y29 PolarHBondContact O-N 3.41Å; F27-Y29 VanDerWaalsContact O-N 3.08Å; F27-A30 VanDerWaalsContact O-CB 3.25Å; F27-A30 WeakPolarHBondContact O-CB 3.2Å; F27-A30 PolarHBondContact O-N 3.21Å; F27-L38 HydrophobicContact CD1-CD2 3.55Å; F27-L38 HydrophobicContact CE1-CD1 3.92Å; F27-L38 HydrophobicContact CE1-CD2 3.48Å; F27-L38 VanDerWaalsContact CE1-CD2 3.48Å; F27-L38 HydrophobicContact CE1-CG 4.37Å; F27-L38 HydrophobicContact CG-CD2 4.25Å; F27-L38 HydrophobicContact CZ-CD1 4.48Å; F27-L38 HydrophobicContact CZ-CD2 4.16Å; F27-I151 HydrophobicContact CE1-CB 3.86Å; F27-I151 HydrophobicContact CE1-CG2 4.16Å; F27-I151 HydrophobicContact CZ-CB 3.97Å; F27-I151 HydrophobicContact CZ-CG2 4.02Å; F27-L155 HydrophobicContact CE1-CD2 4.44Å; F27-L155 HydrophobicContact CE2-CD2 4.43Å; F27-L155 HydrophobicContact CZ-CD2 3.64Å |
| 28 | R | 90.2 | Very high | 89.1 | Confident | 159 Ų | 159 | 68.4 Ų | 68.4 | 60% | 0.6 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -32.6 | -176.9 | -176.7 | 176 | -179.9 | 165.4 | -0.6 | 114.1 | G25 L26 Y331 E335 | G25-R28 WeakPolarHBondContact O-CB 3.46Å; G25-R28 PolarHBondContact O-N 3.29Å; L26-R28 VanDerWaalsContact C-N 3.3Å; L26-R28 PolarHBondContact O-N 3.19Å; R28-Y331 HydrophobicContact CB-CE2 4.48Å; R28-E335 IonicContact CZ-OE1 2.78Å; R28-E335 VanDerWaalsContact CZ-OE1 3.32Å; R28-E335 IonicContact CZ-OE2 3.29Å; R28-E335 IonicContact NE-OE1 3.24Å; R28-E335 IonicContact NH1-OE1 3.49Å; R28-E335 PolarHBondContact NH1-OE1 2.87Å; R28-E335 IonicContact NH1-OE2 3.82Å; R28-E335 PolarHBondContact NH1-OE2 3.06Å; R28-E335 IonicContact NH2-OE2 2.6Å |
| 29 | Y | 90.8 | Very high | 90.3 | Very high | 34 Ų | 34 | 69.9 Ų | 69.9 | 13% | 0.133 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 9.1 | -178.1 | -60.6 | -70.1 | 0 | 0 | 0 | 114.5 | F27 S31 R111 I112 L115 Y331 I334 | F27-Y29 PolarHBondContact O-N 3.41Å; F27-Y29 VanDerWaalsContact O-N 3.08Å; Y29-S31 PolarHBondContact O-N 2.95Å; Y29-R111 WeakPolarHBondContact O-CD 3.49Å; Y29-R111 PolarHBondContact O-NH1 3.37Å; Y29-I112 HydrophobicContact CD2-CD1 4.32Å; Y29-I112 HydrophobicContact CD2-CG1 3.74Å; Y29-I112 HydrophobicContact CG-CG1 4.19Å; Y29-L115 HydrophobicContact CD1-CD1 3.42Å; Y29-L115 VanDerWaalsContact CD1-CD1 3.42Å; Y29-L115 HydrophobicContact CE1-CD1 3.57Å; Y29-L115 HydrophobicContact CG-CD1 4.11Å; Y29-Y331 HydrophobicContact CD2-CD1 4.36Å; Y29-Y331 AromaticContact CD2-CE1 3.79Å; Y29-Y331 HydrophobicContact CD2-CE1 3.79Å; Y29-Y331 HydrophobicContact CD2-CE2 4.17Å; Y29-Y331 AromaticContact CD2-CZ 3.69Å; Y29-Y331 AromaticContact CE2-CD1 3.66Å; Y29-Y331 HydrophobicContact CE2-CD1 3.66Å; Y29-Y331 HydrophobicContact CE2-CD2 4.04Å; Y29-Y331 AromaticContact CE2-CE1 3.57Å; Y29-Y331 HydrophobicContact CE2-CE1 3.57Å; Y29-Y331 AromaticContact CE2-CE2 3.97Å; Y29-Y331 HydrophobicContact CE2-CE2 3.97Å; Y29-Y331 AromaticContact CE2-CG 3.92Å; Y29-Y331 HydrophobicContact CE2-CG 3.92Å; Y29-Y331 AromaticContact CE2-CZ 3.74Å; Y29-I334 HydrophobicContact CE1-CG2 4.48Å; Y29-I334 HydrophobicContact CE2-CD1 4.18Å; Y29-I334 WeakPolarHBondContact OH-CG2 3.45Å |
| 30 | A | 92 | Very high | 91.4 | Very high | 15 Ų | 15 | 67.4 Ų | 67.4 | 12% | 0.124 | 35% | 0.345 | C | S | . | . | trans | -68.7 | 126 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | F27 D34 I35 Q108 | F27-A30 VanDerWaalsContact O-CB 3.25Å; F27-A30 WeakPolarHBondContact O-CB 3.2Å; F27-A30 PolarHBondContact O-N 3.21Å; A30-D34 HydrophobicContact CB-CB 4.1Å; A30-I35 HydrophobicContact CB-CD1 4.44Å; A30-I35 HydrophobicContact CB-CG1 3.75Å; A30-Q108 HydrophobicContact CB-CG 4.17Å | ||
| 31 | S | 93 | Very high | 92.1 | Very high | 30 Ų | 30 | 58.1 Ų | 58.1 | 21% | 0.21 | 30% | 0.304 | C | S | . | . | trans | -73.9 | 165.5 | 169.4 | 28.7 | 0 | 0 | 0 | 0 | 111.4 | Y29 T33 D34 I35 R111 | Y29-S31 PolarHBondContact O-N 2.95Å; S31-T33 PolarHBondContact O-N 3.03Å; S31-T33 VanDerWaalsContact O-N 3.13Å; S31-T33 PolarHBondContact OG-OG1 2.79Å; S31-D34 WeakPolarHBondContact CB-OD2 3.47Å; S31-D34 PolarHBondContact N-OD2 2.87Å; S31-D34 CarbonylContact O-C 3.43Å; S31-D34 WeakPolarHBondContact O-CA 3.47Å; S31-D34 WeakPolarHBondContact O-CB 3.49Å; S31-D34 PolarHBondContact O-N 3.4Å; S31-D34 PolarHBondContact OG-OD2 3.25Å; S31-I35 WeakPolarHBondContact O-CG1 3.34Å; S31-I35 PolarHBondContact O-N 3.07Å; S31-R111 VanDerWaalsContact CB-NH1 3.31Å; S31-R111 VanDerWaalsContact N-NH1 3.15Å; S31-R111 PolarHBondContact OG-NH1 3.19Å; S31-R111 VanDerWaalsContact OG-NH1 3.11Å; S31-R111 PolarHBondContact OG-NH2 3.19Å | ||
| 32 | K | 92.2 | Very high | 92.5 | Very high | 189 Ų | 189 | 58.3 Ų | 58.3 | 82% | 0.822 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -51 | -37.8 | 176 | -65.2 | -175.9 | 178.7 | -178.6 | 0 | 112.9 | C36 | K32-C36 WeakPolarHBondContact O-CB 3.15Å; K32-C36 PolarHBondContact O-N 2.99Å |
| 33 | T | 92.5 | Very high | 92.7 | Very high | 84 Ų | 84 | 60 Ų | 60 | 52% | 0.515 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.2 | -36.5 | 175 | 49 | 0 | 0 | 0 | 0 | 113 | S31 A37 | S31-T33 PolarHBondContact O-N 3.03Å; S31-T33 VanDerWaalsContact O-N 3.13Å; S31-T33 PolarHBondContact OG-OG1 2.79Å; T33-A37 WeakPolarHBondContact O-CB 3.42Å; T33-A37 PolarHBondContact O-N 2.88Å |
| 34 | D | 93.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -73.3 | -37.1 | 177.7 | -55 | -42.2 | 0 | 0 | 0 | 111.2 | A30 S31 L38 S104 R107 Q108 R111 | A30-D34 HydrophobicContact CB-CB 4.1Å; S31-D34 WeakPolarHBondContact CB-OD2 3.47Å; S31-D34 PolarHBondContact N-OD2 2.87Å; S31-D34 CarbonylContact O-C 3.43Å; S31-D34 WeakPolarHBondContact O-CA 3.47Å; S31-D34 WeakPolarHBondContact O-CB 3.49Å; S31-D34 PolarHBondContact O-N 3.4Å; S31-D34 PolarHBondContact OG-OD2 3.25Å; D34-L38 WeakPolarHBondContact O-CB 3.47Å; D34-L38 PolarHBondContact O-N 3.43Å; D34-S104 PolarHBondContact O-OG 3.07Å; D34-R107 WeakPolarHBondContact OD1-CB 3.17Å; D34-R107 VanDerWaalsContact OD1-CD 3.29Å; D34-R107 WeakPolarHBondContact OD1-CD 3.24Å; D34-Q108 HydrophobicContact CB-CG 4.25Å; D34-R111 IonicContact OD2-NH1 3.88Å |
| 35 | I | 93.3 | Very high | 93.3 | Very high | 83 Ų | 83 | 50.2 Ų | 50.2 | 43% | 0.426 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.8 | -47.3 | 172.5 | -63.6 | 170.6 | 0 | 0 | 0 | 109.5 | A30 S31 A37 L38 V39 | A30-I35 HydrophobicContact CB-CD1 4.44Å; A30-I35 HydrophobicContact CB-CG1 3.75Å; S31-I35 WeakPolarHBondContact O-CG1 3.34Å; S31-I35 PolarHBondContact O-N 3.07Å; I35-A37 PolarHBondContact O-N 3.01Å; I35-L38 PolarHBondContact O-N 2.74Å; I35-V39 HydrophobicContact CG2-CG2 4.34Å; I35-V39 WeakPolarHBondContact O-CB 3.46Å; I35-V39 VanDerWaalsContact O-CG2 3.28Å; I35-V39 WeakPolarHBondContact O-CG2 3.48Å; I35-V39 PolarHBondContact O-N 2.97Å |
| 36 | C | 94.6 | Very high | 93.6 | Very high | 78 Ų | 78 | 52.4 Ų | 52.4 | 53% | 0.527 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.5 | -48.8 | 175.6 | -179.6 | 0 | 0 | 0 | 0 | 111.3 | K32 L38 V39 V40 | K32-C36 WeakPolarHBondContact O-CB 3.15Å; K32-C36 PolarHBondContact O-N 2.99Å; C36-L38 VanDerWaalsContact C-N 3.34Å; C36-L38 PolarHBondContact O-N 3.04Å; C36-V39 PolarHBondContact O-N 3.13Å; C36-V40 WeakPolarHBondContact O-CB 3.39Å; C36-V40 VanDerWaalsContact O-CG2 3.29Å; C36-V40 WeakPolarHBondContact O-CG2 3.31Å; C36-V40 PolarHBondContact O-N 2.84Å |
| 37 | A | 94.4 | Very high | 93.8 | Very high | 12 Ų | 12 | 54.6 Ų | 54.6 | 10% | 0.099 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T33 I35 V40 G41 C100 I103 | T33-A37 WeakPolarHBondContact O-CB 3.42Å; T33-A37 PolarHBondContact O-N 2.88Å; I35-A37 PolarHBondContact O-N 3.01Å; A37-V40 PolarHBondContact O-N 3.2Å; A37-G41 PolarHBondContact O-N 3.1Å; A37-C100 HydrophobicContact CB-CB 4.35Å; A37-C100 VanDerWaalsContact O-CB 3.31Å; A37-C100 WeakPolarHBondContact O-CB 3.38Å; A37-I103 HydrophobicContact CB-CG2 4.49Å |
| 38 | L | 93.5 | Very high | 93.8 | Very high | 24 Ų | 24 | 53.3 Ų | 53.3 | 13% | 0.126 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62 | -46.8 | 177.2 | -177.3 | 70 | 0 | 0 | 0 | 111.4 | F27 D34 I35 C36 G41 C42 M101 L155 | F27-L38 HydrophobicContact CD1-CD2 3.55Å; F27-L38 HydrophobicContact CE1-CD1 3.92Å; F27-L38 HydrophobicContact CE1-CD2 3.48Å; F27-L38 VanDerWaalsContact CE1-CD2 3.48Å; F27-L38 HydrophobicContact CE1-CG 4.37Å; F27-L38 HydrophobicContact CG-CD2 4.25Å; F27-L38 HydrophobicContact CZ-CD1 4.48Å; F27-L38 HydrophobicContact CZ-CD2 4.16Å; D34-L38 WeakPolarHBondContact O-CB 3.47Å; D34-L38 PolarHBondContact O-N 3.43Å; I35-L38 PolarHBondContact O-N 2.74Å; C36-L38 VanDerWaalsContact C-N 3.34Å; C36-L38 PolarHBondContact O-N 3.04Å; L38-G41 PolarHBondContact O-N 3.22Å; L38-C42 WeakPolarHBondContact O-CB 3.48Å; L38-C42 PolarHBondContact O-N 2.77Å; L38-C42 PolarHBondContact O-SG 3.47Å; L38-M101 HydrophobicContact CD1-CE 4.46Å; L38-M101 HydrophobicContact CD1-SD 4.09Å; L38-L155 HydrophobicContact CD1-CD2 4.17Å |
| 39 | V | 94.5 | Very high | 93.9 | Very high | 78 Ų | 78 | 45.8 Ų | 45.8 | 47% | 0.473 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.8 | -48.3 | 178.4 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | I35 C36 G41 C42 I43 | I35-V39 HydrophobicContact CG2-CG2 4.34Å; I35-V39 WeakPolarHBondContact O-CB 3.46Å; I35-V39 VanDerWaalsContact O-CG2 3.28Å; I35-V39 WeakPolarHBondContact O-CG2 3.48Å; I35-V39 PolarHBondContact O-N 2.97Å; C36-V39 PolarHBondContact O-N 3.13Å; V39-G41 VanDerWaalsContact C-N 3.34Å; V39-G41 PolarHBondContact O-N 3.1Å; V39-C42 PolarHBondContact O-N 3.31Å; V39-I43 HydrophobicContact CG1-CD1 3.9Å; V39-I43 WeakPolarHBondContact O-CG1 3.29Å; V39-I43 PolarHBondContact O-N 3.37Å |
| 40 | V | 95.7 | Very high | 94 | Very high | 54 Ų | 54 | 44.9 Ų | 44.9 | 33% | 0.327 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.4 | -46.1 | 175.4 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | C36 A37 C42 I43 C44 I96 | C36-V40 WeakPolarHBondContact O-CB 3.39Å; C36-V40 VanDerWaalsContact O-CG2 3.29Å; C36-V40 WeakPolarHBondContact O-CG2 3.31Å; C36-V40 PolarHBondContact O-N 2.84Å; A37-V40 PolarHBondContact O-N 3.2Å; V40-C42 VanDerWaalsContact C-N 3.33Å; V40-C42 PolarHBondContact O-N 3.5Å; V40-I43 PolarHBondContact O-N 3.2Å; V40-C44 WeakPolarHBondContact O-CB 3.37Å; V40-C44 PolarHBondContact O-N 3.23Å; V40-C44 PolarHBondContact O-SG 3.15Å; V40-I96 HydrophobicContact CG1-CG2 3.67Å |
| 41 | G | 94.8 | Very high | 94 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.3 | -39.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | A37 L38 V39 A45 M101 | A37-G41 PolarHBondContact O-N 3.1Å; L38-G41 PolarHBondContact O-N 3.22Å; V39-G41 VanDerWaalsContact C-N 3.34Å; V39-G41 PolarHBondContact O-N 3.1Å; G41-A45 VanDerWaalsContact O-CB 3.31Å; G41-A45 WeakPolarHBondContact O-CB 3.42Å; G41-A45 PolarHBondContact O-N 3.2Å; G41-M101 VanDerWaalsContact C-CE 3.42Å |
| 42 | C | 94.6 | Very high | 93.8 | Very high | 32 Ų | 32 | 44.5 Ų | 44.5 | 22% | 0.216 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.7 | -44.6 | 177.1 | -73.7 | 0 | 0 | 0 | 0 | 111.4 | L38 V39 V40 A45 V46 M101 I159 | L38-C42 WeakPolarHBondContact O-CB 3.48Å; L38-C42 PolarHBondContact O-N 2.77Å; L38-C42 PolarHBondContact O-SG 3.47Å; V39-C42 PolarHBondContact O-N 3.31Å; V40-C42 VanDerWaalsContact C-N 3.33Å; V40-C42 PolarHBondContact O-N 3.5Å; C42-A45 WeakPolarHBondContact O-CB 3.38Å; C42-A45 PolarHBondContact O-N 3.48Å; C42-V46 WeakPolarHBondContact O-CG2 3.33Å; C42-V46 PolarHBondContact O-N 3.24Å; C42-M101 HydrophobicContact CB-CE 4.25Å; C42-M101 WeakPolarHBondContact SG-CE 3.21Å; C42-I159 HydrophobicContact CB-CD1 4.07Å; C42-I159 WeakPolarHBondContact SG-CD1 3.43Å |
| 43 | I | 96.1 | Very high | 93.8 | Very high | 110 Ų | 110 | 35.6 Ų | 35.6 | 56% | 0.564 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -61.9 | -46.6 | 176.3 | -66.8 | 166.1 | 0 | 0 | 0 | 110.1 | V39 V40 A45 V46 A47 | V39-I43 HydrophobicContact CG1-CD1 3.9Å; V39-I43 WeakPolarHBondContact O-CG1 3.29Å; V39-I43 PolarHBondContact O-N 3.37Å; V40-I43 PolarHBondContact O-N 3.2Å; I43-A45 VanDerWaalsContact C-N 3.3Å; I43-A45 PolarHBondContact O-N 2.68Å; I43-V46 WeakPolarHBondContact O-CB 3.13Å; I43-V46 PolarHBondContact O-N 3.27Å; I43-A47 PolarHBondContact O-N 3.08Å |
| 44 | C | 95.6 | Very high | 93.8 | Very high | 17 Ų | 17 | 35.3 Ų | 35.3 | 12% | 0.115 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.6 | -35.2 | 175.8 | -65.9 | 0 | 0 | 0 | 0 | 111.7 | V40 V46 A47 V48 V93 Q97 | V40-C44 WeakPolarHBondContact O-CB 3.37Å; V40-C44 PolarHBondContact O-N 3.23Å; V40-C44 PolarHBondContact O-SG 3.15Å; C44-V46 PolarHBondContact O-N 2.81Å; C44-A47 PolarHBondContact O-N 3.14Å; C44-V48 VanDerWaalsContact O-CG2 3.28Å; C44-V48 WeakPolarHBondContact O-CG2 3.41Å; C44-V48 PolarHBondContact O-N 3.13Å; C44-V93 HydrophobicContact CB-CG1 3.72Å; C44-Q97 HydrophobicContact CB-CB 3.68Å; C44-Q97 HydrophobicContact CB-CG 4.37Å |
| 45 | A | 94.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.1 | -38.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G41 C42 I43 G49 Q97 I159 K160 | G41-A45 VanDerWaalsContact O-CB 3.31Å; G41-A45 WeakPolarHBondContact O-CB 3.42Å; G41-A45 PolarHBondContact O-N 3.2Å; C42-A45 WeakPolarHBondContact O-CB 3.38Å; C42-A45 PolarHBondContact O-N 3.48Å; I43-A45 VanDerWaalsContact C-N 3.3Å; I43-A45 PolarHBondContact O-N 2.68Å; A45-G49 PolarHBondContact O-N 3.46Å; A45-Q97 HydrophobicContact CB-CG 3.86Å; A45-I159 HydrophobicContact CB-CB 4.07Å; A45-I159 HydrophobicContact CB-CG2 3.85Å; A45-K160 WeakPolarHBondContact O-CA 3.31Å |
| 46 | V | 95.9 | Very high | 93.5 | Very high | 69 Ų | 69 | 32.1 Ų | 32.1 | 42% | 0.418 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.1 | -46.5 | 170.9 | 174.3 | 0 | 0 | 0 | 0 | 110.3 | C42 I43 C44 V48 G49 A50 I159 S163 | C42-V46 WeakPolarHBondContact O-CG2 3.33Å; C42-V46 PolarHBondContact O-N 3.24Å; I43-V46 WeakPolarHBondContact O-CB 3.13Å; I43-V46 PolarHBondContact O-N 3.27Å; C44-V46 PolarHBondContact O-N 2.81Å; V46-V48 PolarHBondContact O-N 2.93Å; V46-G49 PolarHBondContact O-N 2.88Å; V46-A50 WeakPolarHBondContact O-CB 3.49Å; V46-A50 PolarHBondContact O-N 3.19Å; V46-I159 HydrophobicContact CG2-CG2 3.6Å; V46-S163 WeakPolarHBondContact CG1-OG 3.17Å; V46-S163 PolarHBondContact O-OG 2.91Å |
| 47 | A | 94.4 | Very high | 93.4 | Very high | 46 Ų | 46 | 33 Ų | 33 | 38% | 0.38 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.1 | -42.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | I43 C44 G49 A50 A51 V93 | I43-A47 PolarHBondContact O-N 3.08Å; C44-A47 PolarHBondContact O-N 3.14Å; A47-G49 VanDerWaalsContact C-N 3.35Å; A47-A50 PolarHBondContact O-N 3.29Å; A47-A51 WeakPolarHBondContact O-CB 3.5Å; A47-A51 PolarHBondContact O-N 3.34Å; A47-V93 HydrophobicContact CB-CG1 3.78Å |
| 48 | V | 92.9 | Very high | 93.3 | Very high | 5 Ų | 5 | 33.8 Ų | 33.8 | 3% | 0.03 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.3 | -40.5 | 174.5 | 178.6 | 0 | 0 | 0 | 0 | 110.8 | C44 V46 A51 V93 Q97 K160 | C44-V48 VanDerWaalsContact O-CG2 3.28Å; C44-V48 WeakPolarHBondContact O-CG2 3.41Å; C44-V48 PolarHBondContact O-N 3.13Å; V46-V48 PolarHBondContact O-N 2.93Å; V48-A51 WeakPolarHBondContact O-CB 3.34Å; V48-A51 PolarHBondContact O-N 3.15Å; V48-V93 HydrophobicContact CG2-CB 4.38Å; V48-V93 HydrophobicContact CG2-CG1 3.8Å; V48-Q97 HydrophobicContact CG2-CB 4.44Å; V48-K160 HydrophobicContact CB-CD 4.42Å; V48-K160 HydrophobicContact CG1-CD 3.67Å; V48-K160 HydrophobicContact CG1-CG 4.24Å |
| 49 | G | 92.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.4 | -46.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A45 V46 A47 A51 P53 K160 G164 | A45-G49 PolarHBondContact O-N 3.46Å; V46-G49 PolarHBondContact O-N 2.88Å; A47-G49 VanDerWaalsContact C-N 3.35Å; G49-A51 VanDerWaalsContact C-N 3.31Å; G49-A51 PolarHBondContact O-N 3.36Å; G49-P53 WeakPolarHBondContact O-CD 3.37Å; G49-K160 VanDerWaalsContact CA-O 3.3Å; G49-K160 WeakPolarHBondContact CA-O 3.2Å; G49-G164 WeakPolarHBondContact O-CA 3.49Å |
| 50 | A | 93.4 | Very high | 93 | Very high | 15 Ų | 15 | 31.4 Ų | 31.4 | 12% | 0.124 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.9 | -29.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | V46 A47 V52 P53 L54 V167 | V46-A50 WeakPolarHBondContact O-CB 3.49Å; V46-A50 PolarHBondContact O-N 3.19Å; A47-A50 PolarHBondContact O-N 3.29Å; A50-V52 PolarHBondContact O-N 2.94Å; A50-P53 VanDerWaalsContact O-CD 3.31Å; A50-P53 WeakPolarHBondContact O-CD 3.39Å; A50-L54 WeakPolarHBondContact O-CB 3.34Å; A50-L54 VanDerWaalsContact O-CG 3.28Å; A50-L54 WeakPolarHBondContact O-CG 3.45Å; A50-L54 PolarHBondContact O-N 2.85Å; A50-L54 VanDerWaalsContact O-N 3.07Å; A50-V167 HydrophobicContact CB-CB 4.36Å; A50-V167 HydrophobicContact CB-CG1 4.11Å; A50-V167 HydrophobicContact CB-CG2 3.96Å |
| 51 | A | 92.1 | Very high | 92.6 | Very high | 5 Ų | 5 | 30 Ų | 30 | 4% | 0.041 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.2 | -32.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A47 V48 G49 L54 N55 L86 M90 | A47-A51 WeakPolarHBondContact O-CB 3.5Å; A47-A51 PolarHBondContact O-N 3.34Å; V48-A51 WeakPolarHBondContact O-CB 3.34Å; V48-A51 PolarHBondContact O-N 3.15Å; G49-A51 VanDerWaalsContact C-N 3.31Å; G49-A51 PolarHBondContact O-N 3.36Å; A51-L54 PolarHBondContact O-N 2.93Å; A51-N55 WeakPolarHBondContact O-CB 3.38Å; A51-N55 PolarHBondContact O-N 2.87Å; A51-L86 HydrophobicContact CB-CD1 4.15Å; A51-M90 HydrophobicContact CB-CG 3.6Å; A51-M90 HydrophobicContact CB-SD 3.6Å |
| 52 | V | 88.6 | Confident | 92.3 | Very high | 33 Ų | 33 | 30 Ų | 30 | 20% | 0.2 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.9 | -52.4 | 179.3 | 176.5 | 0 | 0 | 0 | 0 | 111.8 | A50 L54 N55 V56 L305 F309 | A50-V52 PolarHBondContact O-N 2.94Å; V52-L54 VanDerWaalsContact C-N 3.3Å; V52-L54 PolarHBondContact O-N 3.31Å; V52-N55 VanDerWaalsContact O-CB 3.31Å; V52-N55 WeakPolarHBondContact O-CB 3.34Å; V52-N55 PolarHBondContact O-N 3.09Å; V52-V56 WeakPolarHBondContact O-CG2 3.39Å; V52-V56 PolarHBondContact O-N 2.79Å; V52-L305 HydrophobicContact CG1-CD1 3.68Å; V52-F309 HydrophobicContact CB-CE2 4.39Å; V52-F309 HydrophobicContact CB-CZ 3.94Å; V52-F309 HydrophobicContact CG1-CE2 4.31Å; V52-F309 HydrophobicContact CG1-CZ 3.81Å; V52-F309 HydrophobicContact CG2-CZ 4.2Å |
| 53 | P | 92.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.013 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58 | -36.5 | 170.2 | -30.2 | 36.5 | 0 | 0 | 0 | 115.1 | G49 A50 N55 V56 F57 G164 V167 I171 | G49-P53 WeakPolarHBondContact O-CD 3.37Å; A50-P53 VanDerWaalsContact O-CD 3.31Å; A50-P53 WeakPolarHBondContact O-CD 3.39Å; P53-N55 VanDerWaalsContact C-N 3.33Å; P53-V56 WeakPolarHBondContact O-CB 3.33Å; P53-V56 PolarHBondContact O-N 2.93Å; P53-F57 PolarHBondContact O-N 2.94Å; P53-G164 VanDerWaalsContact CG-O 3.24Å; P53-G164 WeakPolarHBondContact CG-O 3.44Å; P53-V167 HydrophobicContact CB-CG1 3.99Å; P53-V167 HydrophobicContact CG-CB 4.29Å; P53-V167 HydrophobicContact CG-CG1 4.23Å; P53-I171 HydrophobicContact CB-CD1 3.77Å |
| 54 | L | 92.1 | Very high | 91.7 | Very high | 77 Ų | 77 | 25.1 Ų | 25.1 | 40% | 0.403 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -64.5 | -39 | 175.3 | -73.5 | 170.1 | 0 | 0 | 0 | 111.5 | A50 A51 V52 V56 F57 I58 I171 | A50-L54 WeakPolarHBondContact O-CB 3.34Å; A50-L54 VanDerWaalsContact O-CG 3.28Å; A50-L54 WeakPolarHBondContact O-CG 3.45Å; A50-L54 PolarHBondContact O-N 2.85Å; A50-L54 VanDerWaalsContact O-N 3.07Å; A51-L54 PolarHBondContact O-N 2.93Å; V52-L54 VanDerWaalsContact C-N 3.3Å; V52-L54 PolarHBondContact O-N 3.31Å; L54-V56 VanDerWaalsContact C-N 3.29Å; L54-V56 PolarHBondContact O-N 2.92Å; L54-F57 WeakPolarHBondContact O-CA 3.5Å; L54-F57 WeakPolarHBondContact O-CB 3.25Å; L54-F57 PolarHBondContact O-N 3.37Å; L54-F57 VanDerWaalsContact O-N 3.08Å; L54-I58 WeakPolarHBondContact O-CG1 3.5Å; L54-I58 PolarHBondContact O-N 3.03Å; L54-I171 HydrophobicContact CD2-CD1 4.17Å |
| 55 | N | 90.2 | Very high | 91.2 | Very high | 12 Ų | 12 | 27.3 Ų | 27.3 | 6% | 0.064 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.6 | -41 | 173 | -179.6 | 59.6 | 0 | 0 | 0 | 111.7 | A51 V52 P53 F57 I58 F59 F83 L86 M922 F925 | A51-N55 WeakPolarHBondContact O-CB 3.38Å; A51-N55 PolarHBondContact O-N 2.87Å; V52-N55 VanDerWaalsContact O-CB 3.31Å; V52-N55 WeakPolarHBondContact O-CB 3.34Å; V52-N55 PolarHBondContact O-N 3.09Å; P53-N55 VanDerWaalsContact C-N 3.33Å; N55-F57 VanDerWaalsContact C-N 3.3Å; N55-F57 PolarHBondContact O-N 3.24Å; N55-I58 PolarHBondContact O-N 3.49Å; N55-F59 WeakPolarHBondContact O-CB 3.42Å; N55-F59 PolarHBondContact O-N 2.95Å; N55-F83 WeakPolarHBondContact OD1-CD1 3.36Å; N55-F83 WeakPolarHBondContact OD1-CE1 3.17Å; N55-L86 HydrophobicContact CB-CD2 3.7Å; N55-M922 HydrophobicContact CB-CE 3.75Å; N55-M922 HydrophobicContact CB-SD 4.04Å; N55-M922 VanDerWaalsContact CG-CE 3.48Å; N55-M922 PolarHBondContact OD1-SD 3.02Å; N55-F925 WeakPolarHBondContact ND2-CE2 3.46Å |
| 56 | V | 91.3 | Very high | 90.8 | Very high | 6 Ų | 6 | 27.5 Ų | 27.5 | 4% | 0.036 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.3 | -34.3 | 174.5 | -177.2 | 0 | 0 | 0 | 0 | 111.4 | V52 P53 L54 F59 K60 L298 I301 N302 L305 | V52-V56 WeakPolarHBondContact O-CG2 3.39Å; V52-V56 PolarHBondContact O-N 2.79Å; P53-V56 WeakPolarHBondContact O-CB 3.33Å; P53-V56 PolarHBondContact O-N 2.93Å; L54-V56 VanDerWaalsContact C-N 3.29Å; L54-V56 PolarHBondContact O-N 2.92Å; V56-F59 WeakPolarHBondContact O-CB 3.44Å; V56-F59 PolarHBondContact O-N 2.7Å; V56-K60 PolarHBondContact O-N 3.44Å; V56-L298 HydrophobicContact CG1-CB 4.29Å; V56-L298 HydrophobicContact CG1-CG 4.07Å; V56-I301 HydrophobicContact CB-CG2 4.45Å; V56-I301 HydrophobicContact CG1-CB 3.83Å; V56-I301 HydrophobicContact CG1-CD1 4.47Å; V56-I301 HydrophobicContact CG1-CG2 3.93Å; V56-I301 HydrophobicContact CG2-CB 4.38Å; V56-I301 HydrophobicContact CG2-CG2 3.56Å; V56-N302 WeakPolarHBondContact CB-OD1 3.18Å; V56-N302 WeakPolarHBondContact CG2-OD1 3.47Å; V56-L305 HydrophobicContact CG2-CD1 4.07Å |
| 57 | F | 92.3 | Very high | 90.1 | Very high | 96 Ų | 96 | 24.6 Ų | 24.6 | 42% | 0.421 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -65.8 | -41.6 | 173.8 | -173.5 | -90.6 | 0 | 0 | 0 | 113 | P53 L54 N55 F59 K60 I171 V175 L298 | P53-F57 PolarHBondContact O-N 2.94Å; L54-F57 WeakPolarHBondContact O-CA 3.5Å; L54-F57 WeakPolarHBondContact O-CB 3.25Å; L54-F57 PolarHBondContact O-N 3.37Å; L54-F57 VanDerWaalsContact O-N 3.08Å; N55-F57 VanDerWaalsContact C-N 3.3Å; N55-F57 PolarHBondContact O-N 3.24Å; F57-F59 VanDerWaalsContact C-N 3.29Å; F57-F59 PolarHBondContact O-N 2.89Å; F57-K60 WeakPolarHBondContact O-CB 3.47Å; F57-K60 PolarHBondContact O-N 3.26Å; F57-I171 HydrophobicContact CB-CG2 4.27Å; F57-I171 HydrophobicContact CD2-CG2 3.73Å; F57-I171 HydrophobicContact CG-CG2 4.41Å; F57-V175 HydrophobicContact CD2-CG2 4.43Å; F57-V175 HydrophobicContact CE2-CG2 4.14Å; F57-L298 HydrophobicContact CB-CD1 4.17Å; F57-L298 HydrophobicContact CD2-CD1 3.75Å; F57-L298 HydrophobicContact CG-CD1 4.35Å |
| 58 | I | 91.2 | Very high | 89.2 | Confident | 29 Ų | 29 | 24.1 Ų | 24.1 | 15% | 0.149 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.2 | -41.2 | 172.1 | -62.3 | 163.6 | 0 | 0 | 0 | 109.9 | L54 N55 K60 G61 V62 W82 F83 L86 | L54-I58 WeakPolarHBondContact O-CG1 3.5Å; L54-I58 PolarHBondContact O-N 3.03Å; N55-I58 PolarHBondContact O-N 3.49Å; I58-K60 VanDerWaalsContact C-N 3.31Å; I58-K60 PolarHBondContact O-N 2.76Å; I58-G61 PolarHBondContact O-N 2.87Å; I58-V62 PolarHBondContact O-N 2.99Å; I58-W82 HydrophobicContact CD1-CB 3.82Å; I58-W82 HydrophobicContact CG1-CB 4.07Å; I58-W82 HydrophobicContact CG2-CB 3.91Å; I58-F83 HydrophobicContact CB-CD1 4.26Å; I58-F83 HydrophobicContact CB-CE1 3.82Å; I58-F83 HydrophobicContact CB-CZ 4.19Å; I58-F83 HydrophobicContact CG2-CD1 3.83Å; I58-F83 HydrophobicContact CG2-CD2 4.11Å; I58-F83 HydrophobicContact CG2-CE1 3.61Å; I58-F83 HydrophobicContact CG2-CE2 3.94Å; I58-F83 HydrophobicContact CG2-CG 4.07Å; I58-F83 HydrophobicContact CG2-CZ 3.68Å; I58-L86 HydrophobicContact CD1-CB 4.27Å; I58-L86 HydrophobicContact CD1-CD2 3.79Å |
| 59 | F | 90.6 | Very high | 88 | Confident | 12 Ų | 12 | 31.6 Ų | 31.6 | 5% | 0.053 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.7 | -35.9 | 177.1 | -175 | -119.8 | 0 | 0 | 0 | 113 | N55 V56 F57 G61 V62 V63 F83 I297 I301 Y710 F929 F947 F950 | N55-F59 WeakPolarHBondContact O-CB 3.42Å; N55-F59 PolarHBondContact O-N 2.95Å; V56-F59 WeakPolarHBondContact O-CB 3.44Å; V56-F59 PolarHBondContact O-N 2.7Å; F57-F59 VanDerWaalsContact C-N 3.29Å; F57-F59 PolarHBondContact O-N 2.89Å; F59-G61 VanDerWaalsContact C-N 3.27Å; F59-G61 PolarHBondContact O-N 2.78Å; F59-V62 PolarHBondContact O-N 3.17Å; F59-V63 HydrophobicContact CD1-CG2 4.14Å; F59-V63 HydrophobicContact CD2-CG2 4.38Å; F59-V63 HydrophobicContact CE1-CG2 3.8Å; F59-V63 HydrophobicContact CE2-CG2 4.01Å; F59-V63 HydrophobicContact CG-CG2 4.43Å; F59-V63 HydrophobicContact CZ-CG2 3.73Å; F59-V63 WeakPolarHBondContact O-CG2 3.39Å; F59-V63 PolarHBondContact O-N 2.85Å; F59-F83 HydrophobicContact CB-CZ 4.06Å; F59-F83 HydrophobicContact CD2-CZ 4.39Å; F59-I297 HydrophobicContact CD1-CG2 4.1Å; F59-I297 HydrophobicContact CE1-CG2 3.71Å; F59-I301 HydrophobicContact CD1-CD1 3.87Å; F59-I301 HydrophobicContact CE1-CD1 3.78Å; F59-Y710 WeakPolarHBondContact CE1-OH 3.28Å; F59-Y710 WeakPolarHBondContact CZ-OH 3.37Å; F59-F929 AromaticContact CD2-CE2 3.91Å; F59-F929 HydrophobicContact CD2-CE2 3.91Å; F59-F929 AromaticContact CD2-CZ 3.79Å; F59-F929 HydrophobicContact CD2-CZ 3.79Å; F59-F929 AromaticContact CE2-CE1 3.87Å; F59-F929 HydrophobicContact CE2-CE1 3.87Å; F59-F929 AromaticContact CE2-CE2 3.89Å; F59-F929 HydrophobicContact CE2-CE2 3.89Å; F59-F929 AromaticContact CE2-CZ 3.28Å; F59-F929 HydrophobicContact CE2-CZ 3.28Å; F59-F929 HydrophobicContact CZ-CZ 4.31Å; F59-F947 HydrophobicContact CE2-CD1 4.32Å; F59-F947 AromaticContact CE2-CE1 3.77Å; F59-F947 HydrophobicContact CE2-CE1 3.77Å; F59-F947 HydrophobicContact CZ-CD1 4.05Å; F59-F947 AromaticContact CZ-CE1 3.77Å; F59-F947 HydrophobicContact CZ-CE1 3.77Å; F59-F950 HydrophobicContact CE2-CE1 4.45Å; F59-F950 HydrophobicContact CZ-CE1 4.45Å |
| 60 | K | 91.1 | Very high | 87 | Confident | 39 Ų | 39 | 38.2 Ų | 38.2 | 17% | 0.17 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -53 | -44 | 170.6 | 160.5 | -176.3 | 174.7 | -168.6 | 0 | 112.2 | V56 F57 I58 V63 N64 V175 S295 L298 | V56-K60 PolarHBondContact O-N 3.44Å; F57-K60 WeakPolarHBondContact O-CB 3.47Å; F57-K60 PolarHBondContact O-N 3.26Å; I58-K60 VanDerWaalsContact C-N 3.31Å; I58-K60 PolarHBondContact O-N 2.76Å; K60-V63 PolarHBondContact O-N 2.87Å; K60-N64 PolarHBondContact O-N 2.97Å; K60-V175 HydrophobicContact CD-CG1 4.29Å; K60-S295 WeakPolarHBondContact CE-OG 2.93Å; K60-L298 HydrophobicContact CB-CB 4.17Å; K60-L298 HydrophobicContact CB-CD1 3.86Å; K60-L298 HydrophobicContact CD-CD1 3.75Å; K60-L298 HydrophobicContact CG-CD1 4.41Å |
| 61 | G | 88.3 | Confident | 85.9 | Confident | 24 Ų | 24 | 39.2 Ų | 39.2 | 25% | 0.247 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.1 | -48.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I58 F59 V63 N64 E65 | I58-G61 PolarHBondContact O-N 2.87Å; F59-G61 VanDerWaalsContact C-N 3.27Å; F59-G61 PolarHBondContact O-N 2.78Å; G61-V63 VanDerWaalsContact C-N 3.34Å; G61-V63 PolarHBondContact O-N 2.83Å; G61-N64 PolarHBondContact O-N 3.12Å; G61-E65 WeakPolarHBondContact O-CG 3.48Å; G61-E65 PolarHBondContact O-N 3.19Å |
| 62 | V | 89 | Confident | 85.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.3 | -43.4 | 176.9 | 174.3 | 0 | 0 | 0 | 0 | 112.1 | I58 F59 E65 F66 F83 F929 | I58-V62 PolarHBondContact O-N 2.99Å; F59-V62 PolarHBondContact O-N 3.17Å; V62-E65 PolarHBondContact O-N 3.27Å; V62-F66 HydrophobicContact CG1-CD2 3.54Å; V62-F66 HydrophobicContact CG1-CE2 3.58Å; V62-F66 VanDerWaalsContact O-CD2 3.26Å; V62-F66 WeakPolarHBondContact O-CD2 3.29Å; V62-F66 PolarHBondContact O-N 3.41Å; V62-F83 HydrophobicContact CG2-CE2 3.78Å; V62-F83 HydrophobicContact CG2-CZ 4.37Å; V62-F929 HydrophobicContact CG1-CB 4.31Å; V62-F929 HydrophobicContact CG1-CD1 3.87Å; V62-F929 HydrophobicContact CG1-CD2 4.4Å; V62-F929 HydrophobicContact CG1-CE1 4.35Å; V62-F929 HydrophobicContact CG1-CG 3.93Å |
| 63 | V | 88.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.4 | -48.1 | 176.1 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | F59 K60 G61 E65 F66 T67 A293 I297 Y710 F947 | F59-V63 HydrophobicContact CD1-CG2 4.14Å; F59-V63 HydrophobicContact CD2-CG2 4.38Å; F59-V63 HydrophobicContact CE1-CG2 3.8Å; F59-V63 HydrophobicContact CE2-CG2 4.01Å; F59-V63 HydrophobicContact CG-CG2 4.43Å; F59-V63 HydrophobicContact CZ-CG2 3.73Å; F59-V63 WeakPolarHBondContact O-CG2 3.39Å; F59-V63 PolarHBondContact O-N 2.85Å; K60-V63 PolarHBondContact O-N 2.87Å; G61-V63 VanDerWaalsContact C-N 3.34Å; G61-V63 PolarHBondContact O-N 2.83Å; V63-E65 VanDerWaalsContact C-N 3.34Å; V63-E65 PolarHBondContact O-N 2.85Å; V63-F66 PolarHBondContact O-N 2.81Å; V63-T67 HydrophobicContact CG1-CG2 4.22Å; V63-T67 WeakPolarHBondContact O-CB 3.47Å; V63-T67 WeakPolarHBondContact O-CG2 3.18Å; V63-T67 PolarHBondContact O-N 3.43Å; V63-T67 PolarHBondContact O-OG1 2.9Å; V63-A293 HydrophobicContact CG1-CB 4.46Å; V63-I297 HydrophobicContact CG1-CG1 4.43Å; V63-I297 HydrophobicContact CG2-CG2 4.44Å; V63-Y710 HydrophobicContact CB-CE1 4.41Å; V63-Y710 HydrophobicContact CG1-CD1 4.13Å; V63-Y710 HydrophobicContact CG1-CE1 3.74Å; V63-Y710 HydrophobicContact CG2-CE1 3.76Å; V63-F947 HydrophobicContact CG2-CE1 4.01Å; V63-F947 HydrophobicContact CG2-CZ 4.08Å |
| 64 | N | 87.4 | Confident | 83.9 | Confident | 41 Ų | 41 | 48.5 Ų | 48.5 | 22% | 0.219 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.5 | -44 | 179.9 | -74.2 | -11.4 | 0 | 0 | 0 | 112.3 | K60 G61 T67 G68 G294 | K60-N64 PolarHBondContact O-N 2.97Å; G61-N64 PolarHBondContact O-N 3.12Å; N64-T67 PolarHBondContact O-N 2.82Å; N64-T67 PolarHBondContact O-OG1 3Å; N64-G68 PolarHBondContact O-N 3.45Å; N64-G294 WeakPolarHBondContact OD1-CA 3.22Å; N64-G294 PolarHBondContact OD1-N 2.89Å |
| 65 | E | 86.1 | Confident | 83.4 | Confident | 63 Ų | 63 | 48.4 Ų | 48.4 | 29% | 0.294 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.1 | -37.9 | 178.2 | -65.4 | -63.4 | 164.4 | 0 | 0 | 112.9 | G61 V62 V63 N75 V76 | G61-E65 WeakPolarHBondContact O-CG 3.48Å; G61-E65 PolarHBondContact O-N 3.19Å; V62-E65 PolarHBondContact O-N 3.27Å; V63-E65 VanDerWaalsContact C-N 3.34Å; V63-E65 PolarHBondContact O-N 2.85Å; E65-N75 VanDerWaalsContact CD-CB 3.48Å; E65-N75 HydrophobicContact CG-CB 4.13Å; E65-N75 WeakPolarHBondContact OE2-CB 3.27Å; E65-N75 PolarHBondContact OE2-ND2 2.92Å; E65-V76 HydrophobicContact CB-CG2 3.92Å |
| 66 | F | 85.4 | Confident | 83 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 1% | 0.013 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -73.1 | -26.6 | 176.3 | -89 | -65.9 | 0 | 0 | 0 | 113.3 | V62 V63 V71 V76 F929 A933 V936 V943 F947 | V62-F66 HydrophobicContact CG1-CD2 3.54Å; V62-F66 HydrophobicContact CG1-CE2 3.58Å; V62-F66 VanDerWaalsContact O-CD2 3.26Å; V62-F66 WeakPolarHBondContact O-CD2 3.29Å; V62-F66 PolarHBondContact O-N 3.41Å; V63-F66 PolarHBondContact O-N 2.81Å; F66-V71 HydrophobicContact CD1-CG1 3.97Å; F66-V71 HydrophobicContact CE1-CG1 4.22Å; F66-V71 WeakPolarHBondContact O-CG2 3.28Å; F66-V76 HydrophobicContact CE2-CG1 3.76Å; F66-V76 HydrophobicContact CE2-CG2 4.33Å; F66-V76 HydrophobicContact CZ-CG1 4.06Å; F66-V76 HydrophobicContact CZ-CG2 4.41Å; F66-F929 HydrophobicContact CE2-CD1 4.12Å; F66-A933 HydrophobicContact CE1-CB 4.41Å; F66-A933 HydrophobicContact CZ-CB 3.96Å; F66-V936 HydrophobicContact CE1-CB 4.35Å; F66-V936 HydrophobicContact CE1-CG2 4.11Å; F66-V943 HydrophobicContact CB-CG1 3.75Å; F66-V943 HydrophobicContact CD1-CG1 4.09Å; F66-V943 HydrophobicContact CD1-CG2 4.18Å; F66-V943 HydrophobicContact CG-CG1 4.23Å; F66-F947 HydrophobicContact CB-CE2 3.9Å; F66-F947 HydrophobicContact CB-CZ 3.96Å; F66-F947 HydrophobicContact CD2-CE2 4.47Å; F66-F947 AromaticContact CD2-CZ 3.96Å; F66-F947 HydrophobicContact CD2-CZ 3.96Å; F66-F947 HydrophobicContact CG-CE2 4.26Å; F66-F947 HydrophobicContact CG-CZ 4.17Å |
| 67 | T | 81.5 | Confident | 82.7 | Confident | 8 Ų | 8 | 51.4 Ų | 51.4 | 5% | 0.049 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 0.9 | -180 | 59.9 | 0 | 0 | 0 | 0 | 114.1 | V63 N64 A293 F713 | V63-T67 HydrophobicContact CG1-CG2 4.22Å; V63-T67 WeakPolarHBondContact O-CB 3.47Å; V63-T67 WeakPolarHBondContact O-CG2 3.18Å; V63-T67 PolarHBondContact O-N 3.43Å; V63-T67 PolarHBondContact O-OG1 2.9Å; N64-T67 PolarHBondContact O-N 2.82Å; N64-T67 PolarHBondContact O-OG1 3Å; T67-A293 HydrophobicContact CG2-CB 4.44Å; T67-F713 HydrophobicContact CG2-CB 4.13Å; T67-F713 HydrophobicContact CG2-CD2 4.49Å |
| 68 | G | 76.1 | Confident | 82.3 | Confident | 37 Ų | 37 | 48.4 Ų | 48.4 | 38% | 0.381 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -73.3 | 167.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | N64 N70 | N64-G68 PolarHBondContact O-N 3.45Å; G68-N70 PolarHBondContact O-N 2.83Å |
| 69 | D | 67.8 | Low | 81.8 | Confident | 161 Ų | 161 | 48 Ų | 48 | 86% | 0.861 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -59.5 | -31.6 | -173.4 | -63.8 | -26.5 | 0 | 0 | 0 | 113.7 | ||
| 70 | N | 71.2 | Confident | 81.6 | Confident | 140 Ų | 140 | 48.1 Ų | 48.1 | 75% | 0.749 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -136.6 | 119.2 | 173.4 | -74.8 | -49.7 | 0 | 0 | 0 | 110.1 | G68 V72 | G68-N70 PolarHBondContact O-N 2.83Å; N70-V72 PolarHBondContact O-N 3.09Å; N70-V72 VanDerWaalsContact O-N 3.07Å |
| 71 | V | 71.1 | Confident | 81.4 | Confident | 35 Ų | 35 | 53 Ų | 53 | 21% | 0.212 | 29% | 0.294 | C | S | . | . | trans | -73.8 | 101.4 | 176.8 | -176.8 | 0 | 0 | 0 | 0 | 109.4 | F66 V936 V943 | F66-V71 HydrophobicContact CD1-CG1 3.97Å; F66-V71 HydrophobicContact CE1-CG1 4.22Å; F66-V71 WeakPolarHBondContact O-CG2 3.28Å; V71-V936 HydrophobicContact CB-CG1 4.15Å; V71-V936 HydrophobicContact CG1-CG1 4.02Å; V71-V936 HydrophobicContact CG2-CG1 4.19Å; V71-V943 HydrophobicContact CG2-CG2 4.04Å | ||
| 72 | V | 74.5 | Confident | 81.6 | Confident | 65 Ų | 65 | 59.3 Ų | 59.3 | 39% | 0.394 | 31% | 0.31 | S | S | . | . | trans | -90.7 | 113.1 | 173.1 | -177.5 | 0 | 0 | 0 | 0 | 108.8 | N70 E74 N75 V76 | N70-V72 PolarHBondContact O-N 3.09Å; N70-V72 VanDerWaalsContact O-N 3.07Å; V72-E74 HydrophobicContact CG1-CB 4.14Å; V72-E74 PolarHBondContact O-N 3.41Å; V72-N75 PolarHBondContact O-N 3.46Å; V72-N75 VanDerWaalsContact O-N 3.12Å; V72-V76 PolarHBondContact O-N 2.89Å | ||
| 73 | A | 75.6 | Confident | 81.6 | Confident | 15 Ų | 15 | 59.3 Ų | 59.3 | 12% | 0.124 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.1 | -34.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | N75 V76 Y77 A933 | A73-N75 VanDerWaalsContact C-N 3.34Å; A73-N75 PolarHBondContact O-N 3Å; A73-V76 PolarHBondContact O-N 3.14Å; A73-Y77 HydrophobicContact CB-CE2 3.92Å; A73-Y77 VanDerWaalsContact O-CD2 3.24Å; A73-Y77 WeakPolarHBondContact O-CD2 3.43Å; A73-Y77 VanDerWaalsContact O-CG 3.23Å; A73-Y77 PolarHBondContact O-N 3.39Å; A73-A933 HydrophobicContact CB-CB 4.48Å |
| 74 | E | 79.7 | Confident | 81.6 | Confident | 155 Ų | 155 | 61.1 Ų | 61.1 | 72% | 0.724 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60.3 | -39.1 | 178.2 | -66.6 | -172.7 | 165.8 | 0 | 0 | 113.1 | V72 Y77 G78 | V72-E74 HydrophobicContact CG1-CB 4.14Å; V72-E74 PolarHBondContact O-N 3.41Å; E74-Y77 PolarHBondContact O-N 3.04Å; E74-G78 PolarHBondContact O-N 2.87Å |
| 75 | N | 81.5 | Confident | 81.9 | Confident | 75 Ų | 75 | 63.9 Ų | 63.9 | 40% | 0.401 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.2 | -40 | 177.4 | -66.3 | -3.2 | 0 | 0 | 0 | 111.3 | E65 V72 A73 G78 S79 | E65-N75 VanDerWaalsContact CD-CB 3.48Å; E65-N75 HydrophobicContact CG-CB 4.13Å; E65-N75 WeakPolarHBondContact OE2-CB 3.27Å; E65-N75 PolarHBondContact OE2-ND2 2.92Å; V72-N75 PolarHBondContact O-N 3.46Å; V72-N75 VanDerWaalsContact O-N 3.12Å; A73-N75 VanDerWaalsContact C-N 3.34Å; A73-N75 PolarHBondContact O-N 3Å; N75-G78 PolarHBondContact O-N 3.46Å; N75-S79 PolarHBondContact O-N 3.19Å; N75-S79 VanDerWaalsContact O-N 3.13Å |
| 76 | V | 82.2 | Confident | 82.1 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.3 | -41.4 | 176.1 | -174 | 0 | 0 | 0 | 0 | 110.3 | E65 F66 V72 A73 G78 S79 V80 A933 | E65-V76 HydrophobicContact CB-CG2 3.92Å; F66-V76 HydrophobicContact CE2-CG1 3.76Å; F66-V76 HydrophobicContact CE2-CG2 4.33Å; F66-V76 HydrophobicContact CZ-CG1 4.06Å; F66-V76 HydrophobicContact CZ-CG2 4.41Å; V72-V76 PolarHBondContact O-N 2.89Å; A73-V76 PolarHBondContact O-N 3.14Å; V76-G78 VanDerWaalsContact C-N 3.28Å; V76-G78 PolarHBondContact O-N 2.83Å; V76-S79 PolarHBondContact O-N 3.29Å; V76-S79 VanDerWaalsContact O-N 3.09Å; V76-V80 HydrophobicContact CG1-CG2 4.06Å; V76-V80 WeakPolarHBondContact O-CB 3.48Å; V76-V80 VanDerWaalsContact O-CG2 3.25Å; V76-V80 WeakPolarHBondContact O-CG2 3.45Å; V76-V80 PolarHBondContact O-N 2.66Å; V76-A933 HydrophobicContact CB-CB 3.75Å; V76-A933 HydrophobicContact CG1-CB 3.71Å; V76-A933 HydrophobicContact CG2-CB 4.15Å |
| 77 | Y | 85.3 | Confident | 82.4 | Confident | 82 Ų | 82 | 62 Ų | 62 | 32% | 0.322 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.6 | -36.1 | 174.2 | -61.4 | -33.3 | 0 | 0 | 0 | 112.6 | A73 E74 S79 V80 K81 A930 A933 Y934 | A73-Y77 HydrophobicContact CB-CE2 3.92Å; A73-Y77 VanDerWaalsContact O-CD2 3.24Å; A73-Y77 WeakPolarHBondContact O-CD2 3.43Å; A73-Y77 VanDerWaalsContact O-CG 3.23Å; A73-Y77 PolarHBondContact O-N 3.39Å; E74-Y77 PolarHBondContact O-N 3.04Å; Y77-S79 VanDerWaalsContact C-N 3.33Å; Y77-S79 PolarHBondContact O-N 3.07Å; Y77-V80 PolarHBondContact O-N 3.48Å; Y77-K81 WeakPolarHBondContact O-CG 3.32Å; Y77-K81 PolarHBondContact O-N 2.98Å; Y77-A930 HydrophobicContact CD1-CB 4.38Å; Y77-A930 HydrophobicContact CE1-CB 4.2Å; Y77-A930 WeakPolarHBondContact CE1-O 3.46Å; Y77-A933 HydrophobicContact CE1-CB 4.22Å; Y77-Y934 WeakPolarHBondContact OH-CB 3.31Å |
| 78 | G | 83.4 | Confident | 82.9 | Confident | 33 Ų | 33 | 63.6 Ų | 63.6 | 34% | 0.34 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -56.6 | -45.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E74 N75 V76 | E74-G78 PolarHBondContact O-N 2.87Å; N75-G78 PolarHBondContact O-N 3.46Å; V76-G78 VanDerWaalsContact C-N 3.28Å; V76-G78 PolarHBondContact O-N 2.83Å |
| 79 | S | 82.1 | Confident | 83.7 | Confident | 21 Ų | 21 | 63.9 Ų | 63.9 | 15% | 0.147 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -71.6 | -37.5 | 177.4 | -65.7 | 0 | 0 | 0 | 0 | 113.2 | N75 V76 Y77 K81 W82 | N75-S79 PolarHBondContact O-N 3.19Å; N75-S79 VanDerWaalsContact O-N 3.13Å; V76-S79 PolarHBondContact O-N 3.29Å; V76-S79 VanDerWaalsContact O-N 3.09Å; Y77-S79 VanDerWaalsContact C-N 3.33Å; Y77-S79 PolarHBondContact O-N 3.07Å; S79-K81 VanDerWaalsContact C-N 3.32Å; S79-K81 PolarHBondContact O-N 2.91Å; S79-W82 WeakPolarHBondContact O-CB 3.32Å; S79-W82 PolarHBondContact O-N 2.91Å |
| 80 | V | 84.6 | Confident | 84.9 | Confident | 13 Ų | 13 | 56.5 Ų | 56.5 | 8% | 0.079 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.3 | -32.8 | -177.4 | 166.7 | 0 | 0 | 0 | 0 | 112.8 | V76 Y77 W82 F83 A84 A926 F929 A930 | V76-V80 HydrophobicContact CG1-CG2 4.06Å; V76-V80 WeakPolarHBondContact O-CB 3.48Å; V76-V80 VanDerWaalsContact O-CG2 3.25Å; V76-V80 WeakPolarHBondContact O-CG2 3.45Å; V76-V80 PolarHBondContact O-N 2.66Å; Y77-V80 PolarHBondContact O-N 3.48Å; V80-W82 PolarHBondContact O-N 3.01Å; V80-F83 WeakPolarHBondContact O-CB 3.34Å; V80-F83 PolarHBondContact O-N 3.38Å; V80-A84 PolarHBondContact O-N 3.29Å; V80-A926 HydrophobicContact CG1-CB 3.83Å; V80-A926 WeakPolarHBondContact CG1-O 3.48Å; V80-F929 HydrophobicContact CG2-CB 3.83Å; V80-A930 HydrophobicContact CG1-CB 4.17Å |
| 81 | K | 88.8 | Confident | 85.9 | Confident | 142 Ų | 142 | 52.9 Ų | 52.9 | 62% | 0.617 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -54.4 | -36.3 | 175.5 | -72.8 | 170.5 | -172.6 | 178.7 | 0 | 111.9 | Y77 S79 F83 A84 I85 | Y77-K81 WeakPolarHBondContact O-CG 3.32Å; Y77-K81 PolarHBondContact O-N 2.98Å; S79-K81 VanDerWaalsContact C-N 3.32Å; S79-K81 PolarHBondContact O-N 2.91Å; K81-F83 VanDerWaalsContact C-N 3.35Å; K81-F83 PolarHBondContact O-N 2.77Å; K81-A84 PolarHBondContact O-N 3.12Å; K81-I85 WeakPolarHBondContact O-CG1 3.27Å; K81-I85 PolarHBondContact O-N 2.96Å; K81-I85 VanDerWaalsContact O-N 3.09Å |
| 82 | W | 90.7 | Very high | 87 | Confident | 156 Ų | 156 | 56 Ų | 56 | 59% | 0.591 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -66.3 | -32.7 | 178.3 | -67.4 | 108.8 | 0 | 0 | 0 | 113.4 | I58 S79 V80 I85 L86 | I58-W82 HydrophobicContact CD1-CB 3.82Å; I58-W82 HydrophobicContact CG1-CB 4.07Å; I58-W82 HydrophobicContact CG2-CB 3.91Å; S79-W82 WeakPolarHBondContact O-CB 3.32Å; S79-W82 PolarHBondContact O-N 2.91Å; V80-W82 PolarHBondContact O-N 3.01Å; W82-I85 HydrophobicContact CE3-CD1 4.12Å; W82-I85 HydrophobicContact CZ3-CD1 4.37Å; W82-I85 PolarHBondContact O-N 2.81Å; W82-L86 VanDerWaalsContact O-CB 3.26Å; W82-L86 WeakPolarHBondContact O-CB 3.3Å; W82-L86 PolarHBondContact O-N 3.25Å |
| 83 | F | 89.8 | Confident | 87.9 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 173.6 | -72.8 | -55 | 0 | 0 | 0 | 112.2 | N55 I58 F59 V62 V80 K81 L86 G87 F925 A926 F929 | N55-F83 WeakPolarHBondContact OD1-CD1 3.36Å; N55-F83 WeakPolarHBondContact OD1-CE1 3.17Å; I58-F83 HydrophobicContact CB-CD1 4.26Å; I58-F83 HydrophobicContact CB-CE1 3.82Å; I58-F83 HydrophobicContact CB-CZ 4.19Å; I58-F83 HydrophobicContact CG2-CD1 3.83Å; I58-F83 HydrophobicContact CG2-CD2 4.11Å; I58-F83 HydrophobicContact CG2-CE1 3.61Å; I58-F83 HydrophobicContact CG2-CE2 3.94Å; I58-F83 HydrophobicContact CG2-CG 4.07Å; I58-F83 HydrophobicContact CG2-CZ 3.68Å; F59-F83 HydrophobicContact CB-CZ 4.06Å; F59-F83 HydrophobicContact CD2-CZ 4.39Å; V62-F83 HydrophobicContact CG2-CE2 3.78Å; V62-F83 HydrophobicContact CG2-CZ 4.37Å; V80-F83 WeakPolarHBondContact O-CB 3.34Å; V80-F83 PolarHBondContact O-N 3.38Å; K81-F83 VanDerWaalsContact C-N 3.35Å; K81-F83 PolarHBondContact O-N 2.77Å; F83-L86 PolarHBondContact O-N 2.98Å; F83-G87 PolarHBondContact O-N 3.39Å; F83-F925 HydrophobicContact CD1-CB 4.48Å; F83-F925 HydrophobicContact CG-CB 4.43Å; F83-A926 HydrophobicContact CB-CB 3.89Å; F83-F929 HydrophobicContact CD2-CD2 4.38Å; F83-F929 AromaticContact CE2-CD2 3.74Å; F83-F929 HydrophobicContact CE2-CD2 3.74Å; F83-F929 HydrophobicContact CE2-CE2 4.19Å; F83-F929 HydrophobicContact CZ-CD2 4.38Å; F83-F929 HydrophobicContact CZ-CE2 4.39Å |
| 84 | A | 89 | Confident | 88.7 | Confident | 39 Ų | 39 | 54 Ų | 54 | 32% | 0.322 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.2 | -41.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V80 K81 G87 A88 F923 | V80-A84 PolarHBondContact O-N 3.29Å; K81-A84 PolarHBondContact O-N 3.12Å; A84-G87 PolarHBondContact O-N 3.32Å; A84-A88 WeakPolarHBondContact O-CB 3.47Å; A84-A88 PolarHBondContact O-N 2.56Å; A84-F923 HydrophobicContact CB-CE1 4.45Å |
| 85 | I | 92.4 | Very high | 89.4 | Confident | 99 Ų | 99 | 49.5 Ų | 49.5 | 51% | 0.508 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63 | -47.2 | 175.1 | -65.9 | 165.6 | 0 | 0 | 0 | 110.4 | K81 W82 G87 A88 A89 | K81-I85 WeakPolarHBondContact O-CG1 3.27Å; K81-I85 PolarHBondContact O-N 2.96Å; K81-I85 VanDerWaalsContact O-N 3.09Å; W82-I85 HydrophobicContact CE3-CD1 4.12Å; W82-I85 HydrophobicContact CZ3-CD1 4.37Å; W82-I85 PolarHBondContact O-N 2.81Å; I85-G87 VanDerWaalsContact C-N 3.34Å; I85-G87 PolarHBondContact O-N 3.19Å; I85-A88 PolarHBondContact O-N 2.78Å; I85-A89 WeakPolarHBondContact O-CB 3.34Å; I85-A89 PolarHBondContact O-N 3.04Å |
| 86 | L | 92 | Very high | 90.1 | Very high | 25 Ų | 25 | 48.7 Ų | 48.7 | 13% | 0.131 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 178.5 | -174.4 | 63.2 | 0 | 0 | 0 | 111.6 | A51 N55 I58 W82 F83 A89 M90 | A51-L86 HydrophobicContact CB-CD1 4.15Å; N55-L86 HydrophobicContact CB-CD2 3.7Å; I58-L86 HydrophobicContact CD1-CB 4.27Å; I58-L86 HydrophobicContact CD1-CD2 3.79Å; W82-L86 VanDerWaalsContact O-CB 3.26Å; W82-L86 WeakPolarHBondContact O-CB 3.3Å; W82-L86 PolarHBondContact O-N 3.25Å; F83-L86 PolarHBondContact O-N 2.98Å; L86-A89 PolarHBondContact O-N 3.42Å; L86-M90 HydrophobicContact CD1-CG 4.4Å; L86-M90 HydrophobicContact CG-CG 4.4Å; L86-M90 HydrophobicContact CG-SD 4.06Å; L86-M90 VanDerWaalsContact O-CB 3.24Å; L86-M90 WeakPolarHBondContact O-CB 3.38Å; L86-M90 VanDerWaalsContact O-CG 3.27Å; L86-M90 WeakPolarHBondContact O-CG 3.29Å; L86-M90 PolarHBondContact O-N 2.88Å |
| 87 | G | 90.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62 | -44.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F83 A84 I85 M90 F91 M922 | F83-G87 PolarHBondContact O-N 3.39Å; A84-G87 PolarHBondContact O-N 3.32Å; I85-G87 VanDerWaalsContact C-N 3.34Å; I85-G87 PolarHBondContact O-N 3.19Å; G87-M90 PolarHBondContact O-N 3.42Å; G87-F91 WeakPolarHBondContact O-CB 3.38Å; G87-F91 PolarHBondContact O-N 2.89Å; G87-M922 VanDerWaalsContact CA-CB 3.47Å |
| 88 | A | 92.4 | Very high | 90.9 | Very high | 42 Ų | 42 | 45.8 Ų | 45.8 | 35% | 0.347 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.8 | -43.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A84 I85 F91 I92 F923 | A84-A88 WeakPolarHBondContact O-CB 3.47Å; A84-A88 PolarHBondContact O-N 2.56Å; I85-A88 PolarHBondContact O-N 2.78Å; A88-F91 PolarHBondContact O-N 3.32Å; A88-I92 WeakPolarHBondContact O-CG1 3.27Å; A88-I92 PolarHBondContact O-N 2.87Å; A88-F923 HydrophobicContact CB-CZ 4.13Å |
| 89 | A | 93.1 | Very high | 91.4 | Very high | 44 Ų | 44 | 46.9 Ų | 46.9 | 36% | 0.364 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.1 | -46.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I85 L86 F91 I92 V93 | I85-A89 WeakPolarHBondContact O-CB 3.34Å; I85-A89 PolarHBondContact O-N 3.04Å; L86-A89 PolarHBondContact O-N 3.42Å; A89-F91 VanDerWaalsContact C-N 3.34Å; A89-F91 PolarHBondContact O-N 3.44Å; A89-I92 PolarHBondContact O-N 3.35Å; A89-V93 WeakPolarHBondContact O-CB 3.43Å; A89-V93 WeakPolarHBondContact O-CG2 3.49Å; A89-V93 PolarHBondContact O-N 3.05Å |
| 90 | M | 91.8 | Very high | 92 | Very high | 6 Ų | 6 | 46.6 Ų | 46.6 | 3% | 0.03 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.1 | -41.7 | 177.4 | -82.8 | 178 | 32.9 | 0 | 0 | 112.2 | A51 L86 G87 I92 V93 S94 E918 M922 | A51-M90 HydrophobicContact CB-CG 3.6Å; A51-M90 HydrophobicContact CB-SD 3.6Å; L86-M90 HydrophobicContact CD1-CG 4.4Å; L86-M90 HydrophobicContact CG-CG 4.4Å; L86-M90 HydrophobicContact CG-SD 4.06Å; L86-M90 VanDerWaalsContact O-CB 3.24Å; L86-M90 WeakPolarHBondContact O-CB 3.38Å; L86-M90 VanDerWaalsContact O-CG 3.27Å; L86-M90 WeakPolarHBondContact O-CG 3.29Å; L86-M90 PolarHBondContact O-N 2.88Å; G87-M90 PolarHBondContact O-N 3.42Å; M90-I92 VanDerWaalsContact C-N 3.34Å; M90-I92 PolarHBondContact O-N 3.2Å; M90-V93 PolarHBondContact O-N 3.19Å; M90-S94 WeakPolarHBondContact O-CB 3.4Å; M90-S94 PolarHBondContact O-N 3.2Å; M90-S94 PolarHBondContact O-OG 3.32Å; M90-E918 WeakPolarHBondContact CE-O 3.48Å; M90-M922 HydrophobicContact CE-CE 3.6Å; M90-M922 HydrophobicContact CE-CG 3.55Å; M90-M922 HydrophobicContact CE-SD 4.42Å; M90-M922 HydrophobicContact SD-CE 3.64Å; M90-M922 HydrophobicContact SD-CG 3.75Å; M90-M922 HydrophobicContact SD-SD 4.35Å |
| 91 | F | 92.2 | Very high | 92.4 | Very high | 63 Ų | 63 | 46 Ų | 46 | 28% | 0.276 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -56.3 | -48.9 | 176 | -179.4 | -93.1 | 0 | 0 | 0 | 111.3 | G87 A88 A89 S94 F95 L912 A915 L916 | G87-F91 WeakPolarHBondContact O-CB 3.38Å; G87-F91 PolarHBondContact O-N 2.89Å; A88-F91 PolarHBondContact O-N 3.32Å; A89-F91 VanDerWaalsContact C-N 3.34Å; A89-F91 PolarHBondContact O-N 3.44Å; F91-S94 PolarHBondContact O-OG 2.77Å; F91-F95 WeakPolarHBondContact O-CB 3.29Å; F91-F95 PolarHBondContact O-N 3.22Å; F91-F95 VanDerWaalsContact O-N 3.13Å; F91-L912 HydrophobicContact CE2-CD1 4.48Å; F91-L912 HydrophobicContact CZ-CD1 3.79Å; F91-A915 HydrophobicContact CD2-CB 3.91Å; F91-A915 WeakPolarHBondContact CD2-O 3.36Å; F91-A915 HydrophobicContact CE2-CB 3.87Å; F91-A915 HydrophobicContact CG-CB 4.4Å; F91-A915 HydrophobicContact CZ-CB 4.37Å; F91-A915 WeakPolarHBondContact O-CB 3.1Å; F91-L916 HydrophobicContact CD2-CD2 4.41Å; F91-L916 HydrophobicContact CE2-CD2 3.63Å; F91-L916 HydrophobicContact CE2-CG 3.86Å; F91-L916 HydrophobicContact CZ-CD2 4.47Å |
| 92 | I | 94.6 | Very high | 92.5 | Very high | 100 Ų | 100 | 40.8 Ų | 40.8 | 51% | 0.513 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.6 | -49.1 | -179.6 | -62.8 | 168.8 | 0 | 0 | 0 | 111 | A88 A89 M90 F95 I96 | A88-I92 WeakPolarHBondContact O-CG1 3.27Å; A88-I92 PolarHBondContact O-N 2.87Å; A89-I92 PolarHBondContact O-N 3.35Å; M90-I92 VanDerWaalsContact C-N 3.34Å; M90-I92 PolarHBondContact O-N 3.2Å; I92-F95 WeakPolarHBondContact O-CB 3.18Å; I92-F95 PolarHBondContact O-N 3.17Å; I92-I96 HydrophobicContact CG2-CD1 3.84Å; I92-I96 VanDerWaalsContact O-CG1 3.31Å; I92-I96 WeakPolarHBondContact O-CG1 3.43Å; I92-I96 PolarHBondContact O-N 3.42Å |
| 93 | V | 94.9 | Very high | 92.5 | Very high | 39 Ų | 39 | 33.5 Ų | 33.5 | 24% | 0.236 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.7 | -39.4 | -174.7 | 178.9 | 0 | 0 | 0 | 0 | 111.2 | C44 A47 V48 A89 M90 I96 Q97 | C44-V93 HydrophobicContact CB-CG1 3.72Å; A47-V93 HydrophobicContact CB-CG1 3.78Å; V48-V93 HydrophobicContact CG2-CB 4.38Å; V48-V93 HydrophobicContact CG2-CG1 3.8Å; A89-V93 WeakPolarHBondContact O-CB 3.43Å; A89-V93 WeakPolarHBondContact O-CG2 3.49Å; A89-V93 PolarHBondContact O-N 3.05Å; M90-V93 PolarHBondContact O-N 3.19Å; V93-I96 PolarHBondContact O-N 2.86Å; V93-Q97 VanDerWaalsContact O-CB 3.23Å; V93-Q97 WeakPolarHBondContact O-CB 3.25Å; V93-Q97 PolarHBondContact O-N 3.25Å |
| 94 | S | 92.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.8 | -35.8 | 176.5 | 62 | 0 | 0 | 0 | 0 | 112.5 | M90 F91 Q97 D98 A915 | M90-S94 WeakPolarHBondContact O-CB 3.4Å; M90-S94 PolarHBondContact O-N 3.2Å; M90-S94 PolarHBondContact O-OG 3.32Å; F91-S94 PolarHBondContact O-OG 2.77Å; S94-Q97 PolarHBondContact O-N 2.98Å; S94-D98 WeakPolarHBondContact O-CB 3.34Å; S94-D98 PolarHBondContact O-N 3.37Å; S94-A915 WeakPolarHBondContact OG-CA 3.43Å |
| 95 | F | 94.4 | Very high | 92.9 | Very high | 60 Ų | 60 | 31.9 Ų | 31.9 | 26% | 0.263 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -59.4 | -52.4 | 170.8 | 178.6 | -97.3 | 0 | 0 | 0 | 110.9 | F91 I92 Q97 D98 F99 L912 A915 | F91-F95 WeakPolarHBondContact O-CB 3.29Å; F91-F95 PolarHBondContact O-N 3.22Å; F91-F95 VanDerWaalsContact O-N 3.13Å; I92-F95 WeakPolarHBondContact O-CB 3.18Å; I92-F95 PolarHBondContact O-N 3.17Å; F95-Q97 VanDerWaalsContact C-N 3.34Å; F95-Q97 PolarHBondContact O-N 3.2Å; F95-D98 PolarHBondContact O-N 2.95Å; F95-F99 HydrophobicContact CE1-CB 4.49Å; F95-F99 WeakPolarHBondContact O-CB 3.33Å; F95-F99 PolarHBondContact O-N 3.18Å; F95-L912 HydrophobicContact CD2-CB 4.43Å; F95-L912 HydrophobicContact CE2-CB 4.23Å; F95-A915 HydrophobicContact CB-CB 3.74Å; F95-A915 HydrophobicContact CD2-CB 4.43Å |
| 96 | I | 95.2 | Very high | 92.8 | Very high | 59 Ų | 59 | 27.1 Ų | 27.1 | 30% | 0.303 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -61.3 | -45.3 | 180 | -65.5 | 168 | 0 | 0 | 0 | 110.1 | V40 I92 V93 C100 | V40-I96 HydrophobicContact CG1-CG2 3.67Å; I92-I96 HydrophobicContact CG2-CD1 3.84Å; I92-I96 VanDerWaalsContact O-CG1 3.31Å; I92-I96 WeakPolarHBondContact O-CG1 3.43Å; I92-I96 PolarHBondContact O-N 3.42Å; V93-I96 PolarHBondContact O-N 2.86Å; I96-C100 WeakPolarHBondContact O-CB 3.46Å; I96-C100 PolarHBondContact O-N 3Å; I96-C100 PolarHBondContact O-SG 3.16Å |
| 97 | Q | 94.2 | Very high | 92.7 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 1% | 0.014 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55 | -56.2 | 177.9 | -179.7 | -112.7 | -55.7 | 0 | 0 | 112.2 | C44 A45 V48 V93 S94 F95 M101 Y914 | C44-Q97 HydrophobicContact CB-CB 3.68Å; C44-Q97 HydrophobicContact CB-CG 4.37Å; A45-Q97 HydrophobicContact CB-CG 3.86Å; V48-Q97 HydrophobicContact CG2-CB 4.44Å; V93-Q97 VanDerWaalsContact O-CB 3.23Å; V93-Q97 WeakPolarHBondContact O-CB 3.25Å; V93-Q97 PolarHBondContact O-N 3.25Å; S94-Q97 PolarHBondContact O-N 2.98Å; F95-Q97 VanDerWaalsContact C-N 3.34Å; F95-Q97 PolarHBondContact O-N 3.2Å; Q97-M101 VanDerWaalsContact O-CB 3.32Å; Q97-M101 WeakPolarHBondContact O-CB 3.03Å; Q97-M101 WeakPolarHBondContact O-CG 3.43Å; Q97-M101 PolarHBondContact O-N 3.35Å; Q97-M101 VanDerWaalsContact O-N 3.08Å; Q97-Y914 PolarHBondContact OE1-OH 3Å |
| 98 | D | 90.8 | Very high | 92.9 | Very high | 17 Ų | 17 | 31.2 Ų | 31.2 | 9% | 0.091 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.8 | -41.9 | -176.5 | -174.9 | 73 | 0 | 0 | 0 | 111.5 | S94 F95 N102 S911 Y914 | S94-D98 WeakPolarHBondContact O-CB 3.34Å; S94-D98 PolarHBondContact O-N 3.37Å; F95-D98 PolarHBondContact O-N 2.95Å; D98-N102 WeakPolarHBondContact O-CB 3.31Å; D98-N102 PolarHBondContact O-N 2.81Å; D98-N102 PolarHBondContact O-ND2 3.13Å; D98-N102 PolarHBondContact OD1-ND2 3.18Å; D98-N102 PolarHBondContact OD2-ND2 2.67Å; D98-N102 VanDerWaalsContact OD2-ND2 3.14Å; D98-S911 WeakPolarHBondContact OD2-CA 3.36Å; D98-S911 VanDerWaalsContact OD2-CB 3.3Å; D98-S911 WeakPolarHBondContact OD2-CB 3.44Å; D98-S911 PolarHBondContact OD2-OG 2.96Å; D98-Y914 HydrophobicContact CB-CD1 3.5Å; D98-Y914 HydrophobicContact CB-CE1 3.94Å; D98-Y914 HydrophobicContact CB-CG 4.16Å |
| 99 | F | 93.7 | Very high | 92.8 | Very high | 57 Ų | 57 | 29.2 Ų | 29.2 | 25% | 0.25 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.8 | -52.1 | 177.6 | 176.5 | -103.8 | 0 | 0 | 0 | 111.4 | F95 M101 N102 I103 I907 I908 S911 | F95-F99 HydrophobicContact CE1-CB 4.49Å; F95-F99 WeakPolarHBondContact O-CB 3.33Å; F95-F99 PolarHBondContact O-N 3.18Å; F99-M101 PolarHBondContact O-N 3.46Å; F99-N102 PolarHBondContact O-N 2.96Å; F99-I103 HydrophobicContact CD1-CG2 4.48Å; F99-I103 HydrophobicContact CE1-CG2 4.29Å; F99-I103 HydrophobicContact CZ-CB 4.5Å; F99-I103 VanDerWaalsContact O-CB 3.31Å; F99-I103 WeakPolarHBondContact O-CB 3.4Å; F99-I103 WeakPolarHBondContact O-CG2 3.33Å; F99-I103 PolarHBondContact O-N 3.21Å; F99-I907 HydrophobicContact CD2-CG2 4Å; F99-I907 HydrophobicContact CE2-CG2 4.46Å; F99-I908 HydrophobicContact CD2-CG1 4.12Å; F99-I908 HydrophobicContact CE2-CD1 4.45Å; F99-I908 HydrophobicContact CE2-CG1 3.62Å; F99-S911 WeakPolarHBondContact CA-OG 3.44Å; F99-S911 PolarHBondContact N-OG 3.45Å |
| 100 | C | 94.5 | Very high | 92.7 | Very high | 15 Ų | 15 | 28.1 Ų | 28.1 | 10% | 0.101 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.8 | -41.4 | -178.4 | -76.9 | 0 | 0 | 0 | 0 | 112.7 | A37 I96 I103 S104 | A37-C100 HydrophobicContact CB-CB 4.35Å; A37-C100 VanDerWaalsContact O-CB 3.31Å; A37-C100 WeakPolarHBondContact O-CB 3.38Å; I96-C100 WeakPolarHBondContact O-CB 3.46Å; I96-C100 PolarHBondContact O-N 3Å; I96-C100 PolarHBondContact O-SG 3.16Å; C100-I103 WeakPolarHBondContact O-CG2 3.47Å; C100-S104 WeakPolarHBondContact O-CB 3.36Å; C100-S104 PolarHBondContact O-N 3.45Å; C100-S104 VanDerWaalsContact O-N 3.14Å |
| 101 | M | 92.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.7 | -48.3 | 176.2 | -75.3 | -75.6 | 178 | 0 | 0 | 111.7 | L38 G41 C42 Q97 F99 A105 | L38-M101 HydrophobicContact CD1-CE 4.46Å; L38-M101 HydrophobicContact CD1-SD 4.09Å; G41-M101 VanDerWaalsContact C-CE 3.42Å; C42-M101 HydrophobicContact CB-CE 4.25Å; C42-M101 WeakPolarHBondContact SG-CE 3.21Å; Q97-M101 VanDerWaalsContact O-CB 3.32Å; Q97-M101 WeakPolarHBondContact O-CB 3.03Å; Q97-M101 WeakPolarHBondContact O-CG 3.43Å; Q97-M101 PolarHBondContact O-N 3.35Å; Q97-M101 VanDerWaalsContact O-N 3.08Å; F99-M101 PolarHBondContact O-N 3.46Å; M101-A105 WeakPolarHBondContact O-CB 3.32Å; M101-A105 PolarHBondContact O-N 2.96Å; M101-A105 VanDerWaalsContact O-N 3.08Å |
| 102 | N | 90.4 | Very high | 92.9 | Very high | 32 Ų | 32 | 29.5 Ų | 29.5 | 17% | 0.171 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -70.8 | -39.9 | -178 | -80.9 | -69.9 | 0 | 0 | 0 | 113 | D98 F99 S106 T153 I907 | D98-N102 WeakPolarHBondContact O-CB 3.31Å; D98-N102 PolarHBondContact O-N 2.81Å; D98-N102 PolarHBondContact O-ND2 3.13Å; D98-N102 PolarHBondContact OD1-ND2 3.18Å; D98-N102 PolarHBondContact OD2-ND2 2.67Å; D98-N102 VanDerWaalsContact OD2-ND2 3.14Å; F99-N102 PolarHBondContact O-N 2.96Å; N102-S106 WeakPolarHBondContact O-CB 3.49Å; N102-S106 PolarHBondContact O-N 3.39Å; N102-T153 VanDerWaalsContact ND2-CG2 3.34Å; N102-T153 WeakPolarHBondContact ND2-CG2 3.15Å; N102-T153 WeakPolarHBondContact OD1-CG2 3.43Å; N102-I907 HydrophobicContact CB-CB 4.48Å; N102-I907 HydrophobicContact CB-CD1 4.22Å; N102-I907 HydrophobicContact CB-CG1 4.1Å; N102-I907 HydrophobicContact CB-CG2 3.59Å |
| 103 | I | 91.8 | Very high | 92.8 | Very high | 4 Ų | 4 | 25.2 Ų | 25.2 | 2% | 0.021 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68.4 | -41.3 | -179.9 | -166.8 | 58.1 | 0 | 0 | 0 | 111.2 | A37 F99 C100 S106 R107 T904 I907 | A37-I103 HydrophobicContact CB-CG2 4.49Å; F99-I103 HydrophobicContact CD1-CG2 4.48Å; F99-I103 HydrophobicContact CE1-CG2 4.29Å; F99-I103 HydrophobicContact CZ-CB 4.5Å; F99-I103 VanDerWaalsContact O-CB 3.31Å; F99-I103 WeakPolarHBondContact O-CB 3.4Å; F99-I103 WeakPolarHBondContact O-CG2 3.33Å; F99-I103 PolarHBondContact O-N 3.21Å; C100-I103 WeakPolarHBondContact O-CG2 3.47Å; I103-S106 PolarHBondContact O-N 2.72Å; I103-R107 HydrophobicContact CD1-CG 4.38Å; I103-R107 WeakPolarHBondContact O-CB 3.44Å; I103-R107 VanDerWaalsContact O-CG 3.28Å; I103-R107 WeakPolarHBondContact O-CG 3.25Å; I103-R107 PolarHBondContact O-N 2.61Å; I103-T904 HydrophobicContact CD1-CG2 3.97Å; I103-I907 HydrophobicContact CD1-CD1 4.47Å |
| 104 | S | 93.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.007 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.2 | -49.7 | 176.1 | -175.5 | 0 | 0 | 0 | 0 | 110.5 | D34 C100 S106 R107 Q108 | D34-S104 PolarHBondContact O-OG 3.07Å; C100-S104 WeakPolarHBondContact O-CB 3.36Å; C100-S104 PolarHBondContact O-N 3.45Å; C100-S104 VanDerWaalsContact O-N 3.14Å; S104-S106 PolarHBondContact O-N 2.81Å; S104-R107 PolarHBondContact O-N 2.75Å; S104-Q108 WeakPolarHBondContact O-CB 3.41Å; S104-Q108 VanDerWaalsContact O-CG 3.28Å; S104-Q108 WeakPolarHBondContact O-CG 3.5Å; S104-Q108 PolarHBondContact O-N 3.47Å; S104-Q108 PolarHBondContact OG-NE2 3.3Å |
| 105 | A | 92.2 | Very high | 92.8 | Very high | 3 Ų | 3 | 27.5 Ų | 27.5 | 3% | 0.025 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.2 | -46.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | M101 R107 Q108 I109 I151 | M101-A105 WeakPolarHBondContact O-CB 3.32Å; M101-A105 PolarHBondContact O-N 2.96Å; M101-A105 VanDerWaalsContact O-N 3.08Å; A105-R107 PolarHBondContact O-N 2.86Å; A105-Q108 PolarHBondContact O-N 3.47Å; A105-I109 WeakPolarHBondContact O-CB 3.4Å; A105-I109 VanDerWaalsContact O-CG1 3.29Å; A105-I109 WeakPolarHBondContact O-CG1 3.45Å; A105-I109 PolarHBondContact O-N 3.23Å; A105-I151 HydrophobicContact CB-CD1 4.47Å; A105-I151 HydrophobicContact CB-CG1 4.05Å |
| 106 | S | 90.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.4 | -41 | -179.8 | -177 | 0 | 0 | 0 | 0 | 112.8 | N102 I103 S104 N110 Q900 R903 | N102-S106 WeakPolarHBondContact O-CB 3.49Å; N102-S106 PolarHBondContact O-N 3.39Å; I103-S106 PolarHBondContact O-N 2.72Å; S104-S106 PolarHBondContact O-N 2.81Å; S106-N110 WeakPolarHBondContact O-CB 3.09Å; S106-N110 PolarHBondContact O-N 2.93Å; S106-Q900 PolarHBondContact O-OE1 3.37Å; S106-Q900 PolarHBondContact OG-NE2 2.95Å; S106-Q900 PolarHBondContact OG-OE1 3.16Å; S106-R903 VanDerWaalsContact OG-CD 3.24Å; S106-R903 WeakPolarHBondContact OG-CD 3.33Å; S106-R903 PolarHBondContact OG-NE 3.25Å; S106-R903 VanDerWaalsContact OG-NE 3.13Å |
| 107 | R | 91.8 | Very high | 92.8 | Very high | 109 Ų | 109 | 21.8 Ų | 21.8 | 41% | 0.411 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -69 | -45.3 | 178.6 | -74.6 | 173.9 | 177.6 | 168.4 | 2 | 111.7 | D34 I103 S104 A105 I109 N110 R111 | D34-R107 WeakPolarHBondContact OD1-CB 3.17Å; D34-R107 VanDerWaalsContact OD1-CD 3.29Å; D34-R107 WeakPolarHBondContact OD1-CD 3.24Å; I103-R107 HydrophobicContact CD1-CG 4.38Å; I103-R107 WeakPolarHBondContact O-CB 3.44Å; I103-R107 VanDerWaalsContact O-CG 3.28Å; I103-R107 WeakPolarHBondContact O-CG 3.25Å; I103-R107 PolarHBondContact O-N 2.61Å; S104-R107 PolarHBondContact O-N 2.75Å; A105-R107 PolarHBondContact O-N 2.86Å; R107-I109 VanDerWaalsContact C-N 3.34Å; R107-I109 PolarHBondContact O-N 3.06Å; R107-N110 PolarHBondContact O-N 2.98Å; R107-R111 PolarHBondContact O-N 3Å |
| 108 | Q | 93.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.1 | -45.7 | 175.9 | -73.5 | -178.4 | 64.4 | 0 | 0 | 111.3 | A30 D34 S104 A105 R111 I112 I151 | A30-Q108 HydrophobicContact CB-CG 4.17Å; D34-Q108 HydrophobicContact CB-CG 4.25Å; S104-Q108 WeakPolarHBondContact O-CB 3.41Å; S104-Q108 VanDerWaalsContact O-CG 3.28Å; S104-Q108 WeakPolarHBondContact O-CG 3.5Å; S104-Q108 PolarHBondContact O-N 3.47Å; S104-Q108 PolarHBondContact OG-NE2 3.3Å; A105-Q108 PolarHBondContact O-N 3.47Å; Q108-R111 WeakPolarHBondContact O-CB 3.44Å; Q108-R111 PolarHBondContact O-N 3.18Å; Q108-I112 VanDerWaalsContact O-CG1 3.3Å; Q108-I112 WeakPolarHBondContact O-CG1 3.36Å; Q108-I112 PolarHBondContact O-N 2.95Å; Q108-I151 HydrophobicContact CB-CD1 4.11Å |
| 109 | I | 91.5 | Very high | 93 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64 | -43.5 | 178.2 | -74 | -33.3 | 0 | 0 | 0 | 112.6 | A105 R107 R111 I112 R113 I144 I147 E148 I151 | A105-I109 WeakPolarHBondContact O-CB 3.4Å; A105-I109 VanDerWaalsContact O-CG1 3.29Å; A105-I109 WeakPolarHBondContact O-CG1 3.45Å; A105-I109 PolarHBondContact O-N 3.23Å; R107-I109 VanDerWaalsContact C-N 3.34Å; R107-I109 PolarHBondContact O-N 3.06Å; I109-R111 VanDerWaalsContact C-N 3.26Å; I109-R111 PolarHBondContact O-N 2.76Å; I109-I112 HydrophobicContact CD1-CD1 4Å; I109-I112 PolarHBondContact O-N 3.33Å; I109-R113 VanDerWaalsContact O-CB 3.26Å; I109-R113 WeakPolarHBondContact O-CB 3.48Å; I109-R113 PolarHBondContact O-N 2.95Å; I109-I144 HydrophobicContact CB-CG2 4.48Å; I109-I144 HydrophobicContact CD1-CG2 4.42Å; I109-I144 HydrophobicContact CG2-CG2 3.47Å; I109-I144 VanDerWaalsContact CG2-CG2 3.47Å; I109-I147 HydrophobicContact CD1-CB 4.1Å; I109-I147 HydrophobicContact CD1-CG2 3.81Å; I109-E148 HydrophobicContact CD1-CB 4.21Å; I109-E148 HydrophobicContact CG1-CB 3.6Å; I109-E148 HydrophobicContact CG1-CG 3.66Å; I109-I151 HydrophobicContact CD1-CD1 3.97Å; I109-I151 HydrophobicContact CG1-CD1 4.45Å |
| 110 | N | 90.6 | Very high | 93 | Very high | 22 Ų | 22 | 23.8 Ų | 23.8 | 12% | 0.118 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61 | -39.2 | 175.4 | -170.2 | 56.5 | 0 | 0 | 0 | 111.3 | S106 R107 R113 L114 | S106-N110 WeakPolarHBondContact O-CB 3.09Å; S106-N110 PolarHBondContact O-N 2.93Å; R107-N110 PolarHBondContact O-N 2.98Å; N110-R113 PolarHBondContact O-N 3.14Å; N110-L114 VanDerWaalsContact O-CG 3.3Å; N110-L114 WeakPolarHBondContact O-CG 3.38Å; N110-L114 PolarHBondContact O-N 3.33Å |
| 111 | R | 93.3 | Very high | 92.9 | Very high | 97 Ų | 97 | 23.4 Ų | 23.4 | 37% | 0.366 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -65.5 | -47.7 | 174.9 | -176.9 | 178.1 | -72.4 | 148.8 | 2 | 112.1 | Y29 S31 D34 R107 Q108 I109 R113 L114 L115 | Y29-R111 WeakPolarHBondContact O-CD 3.49Å; Y29-R111 PolarHBondContact O-NH1 3.37Å; S31-R111 VanDerWaalsContact CB-NH1 3.31Å; S31-R111 VanDerWaalsContact N-NH1 3.15Å; S31-R111 PolarHBondContact OG-NH1 3.19Å; S31-R111 VanDerWaalsContact OG-NH1 3.11Å; S31-R111 PolarHBondContact OG-NH2 3.19Å; D34-R111 IonicContact OD2-NH1 3.88Å; R107-R111 PolarHBondContact O-N 3Å; Q108-R111 WeakPolarHBondContact O-CB 3.44Å; Q108-R111 PolarHBondContact O-N 3.18Å; I109-R111 VanDerWaalsContact C-N 3.26Å; I109-R111 PolarHBondContact O-N 2.76Å; R111-R113 VanDerWaalsContact C-N 3.29Å; R111-R113 PolarHBondContact O-N 2.92Å; R111-L114 PolarHBondContact O-N 2.93Å; R111-L115 HydrophobicContact CG-CD1 3.89Å; R111-L115 HydrophobicContact CG-CG 4.31Å; R111-L115 WeakPolarHBondContact O-CB 3.36Å; R111-L115 WeakPolarHBondContact O-CG 3.29Å; R111-L115 PolarHBondContact O-N 2.72Å |
| 112 | I | 93.9 | Very high | 93 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.1 | -42.8 | 177.3 | -69.9 | 161.9 | 0 | 0 | 0 | 110.1 | Y29 Q108 I109 L115 Y116 I330 Y331 I334 | Y29-I112 HydrophobicContact CD2-CD1 4.32Å; Y29-I112 HydrophobicContact CD2-CG1 3.74Å; Y29-I112 HydrophobicContact CG-CG1 4.19Å; Q108-I112 VanDerWaalsContact O-CG1 3.3Å; Q108-I112 WeakPolarHBondContact O-CG1 3.36Å; Q108-I112 PolarHBondContact O-N 2.95Å; I109-I112 HydrophobicContact CD1-CD1 4Å; I109-I112 PolarHBondContact O-N 3.33Å; I112-L115 PolarHBondContact O-N 3.3Å; I112-Y116 WeakPolarHBondContact O-CB 3.32Å; I112-Y116 PolarHBondContact O-N 3.17Å; I112-I330 HydrophobicContact CG2-CG2 3.93Å; I112-Y331 HydrophobicContact CD1-CE1 4.06Å; I112-Y331 VanDerWaalsContact CD1-OH 3.31Å; I112-Y331 WeakPolarHBondContact CD1-OH 3.27Å; I112-Y331 HydrophobicContact CG1-CE1 4.21Å; I112-Y331 HydrophobicContact CG2-CE1 4.19Å; I112-I334 HydrophobicContact CG2-CD1 4.45Å |
| 113 | R | 92.9 | Very high | 93.1 | Very high | 11 Ų | 11 | 25.6 Ų | 25.6 | 4% | 0.042 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.9 | -45.5 | 177.3 | -171.4 | -178.3 | -71.3 | 163.7 | -6.4 | 112.3 | I109 N110 R111 F117 L140 I144 D862 F892 | I109-R113 VanDerWaalsContact O-CB 3.26Å; I109-R113 WeakPolarHBondContact O-CB 3.48Å; I109-R113 PolarHBondContact O-N 2.95Å; N110-R113 PolarHBondContact O-N 3.14Å; R111-R113 VanDerWaalsContact C-N 3.29Å; R111-R113 PolarHBondContact O-N 2.92Å; R113-F117 WeakPolarHBondContact O-CB 3.38Å; R113-F117 PolarHBondContact O-N 2.85Å; R113-L140 HydrophobicContact CG-CD1 3.78Å; R113-L140 HydrophobicContact CG-CG 4.49Å; R113-I144 HydrophobicContact CB-CD1 3.92Å; R113-I144 HydrophobicContact CG-CD1 4.09Å; R113-D862 IonicContact NH1-OD1 3.71Å; R113-F892 HydrophobicContact CG-CE1 3.9Å; R113-F892 HydrophobicContact CG-CZ 3.71Å |
| 114 | L | 94.1 | Very high | 93.1 | Very high | 26 Ų | 26 | 25.7 Ų | 25.7 | 14% | 0.136 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.9 | -43.7 | 175.8 | -68.5 | 173.7 | 0 | 0 | 0 | 112.1 | N110 R111 K118 F889 F892 K893 A896 | N110-L114 VanDerWaalsContact O-CG 3.3Å; N110-L114 WeakPolarHBondContact O-CG 3.38Å; N110-L114 PolarHBondContact O-N 3.33Å; R111-L114 PolarHBondContact O-N 2.93Å; L114-K118 VanDerWaalsContact O-CB 3.3Å; L114-K118 WeakPolarHBondContact O-CB 3.44Å; L114-K118 PolarHBondContact O-N 3.24Å; L114-F889 HydrophobicContact CB-CE2 4.39Å; L114-F889 HydrophobicContact CD2-CE2 4.42Å; L114-F889 WeakPolarHBondContact O-CE2 3.23Å; L114-F892 HydrophobicContact CD2-CD1 3.86Å; L114-F892 HydrophobicContact CD2-CE1 4.06Å; L114-K893 HydrophobicContact CD1-CG 4.39Å; L114-K893 HydrophobicContact CD2-CB 3.96Å; L114-K893 HydrophobicContact CD2-CG 4.1Å; L114-A896 HydrophobicContact CD2-CB 4.11Å |
| 115 | L | 94.7 | Very high | 92.9 | Very high | 60 Ų | 60 | 25.8 Ų | 25.8 | 31% | 0.314 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -64.5 | -43.1 | 178.3 | -73.1 | 173.5 | 0 | 0 | 0 | 111.7 | Y29 R111 I112 K118 S119 I334 | Y29-L115 HydrophobicContact CD1-CD1 3.42Å; Y29-L115 VanDerWaalsContact CD1-CD1 3.42Å; Y29-L115 HydrophobicContact CE1-CD1 3.57Å; Y29-L115 HydrophobicContact CG-CD1 4.11Å; R111-L115 HydrophobicContact CG-CD1 3.89Å; R111-L115 HydrophobicContact CG-CG 4.31Å; R111-L115 WeakPolarHBondContact O-CB 3.36Å; R111-L115 WeakPolarHBondContact O-CG 3.29Å; R111-L115 PolarHBondContact O-N 2.72Å; I112-L115 PolarHBondContact O-N 3.3Å; L115-K118 PolarHBondContact O-N 3.45Å; L115-S119 WeakPolarHBondContact O-CB 3.35Å; L115-S119 PolarHBondContact O-N 3.27Å; L115-S119 PolarHBondContact O-OG 3.12Å; L115-I334 HydrophobicContact CB-CD1 4.18Å; L115-I334 HydrophobicContact CB-CG2 4.38Å |
| 116 | Y | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.8 | -44.6 | 178 | -176.5 | -122.2 | 0 | 0 | 0 | 111.8 | I112 K118 S119 I120 K139 L140 I144 I330 T333 I334 | I112-Y116 WeakPolarHBondContact O-CB 3.32Å; I112-Y116 PolarHBondContact O-N 3.17Å; Y116-K118 PolarHBondContact O-N 2.96Å; Y116-S119 WeakPolarHBondContact CA-OG 3.34Å; Y116-S119 PolarHBondContact O-N 3.49Å; Y116-S119 PolarHBondContact O-OG 2.93Å; Y116-I120 HydrophobicContact CD1-CD1 3.68Å; Y116-I120 HydrophobicContact CD2-CD1 4.27Å; Y116-I120 HydrophobicContact CD2-CG1 4.39Å; Y116-I120 HydrophobicContact CE1-CD1 3.32Å; Y116-I120 HydrophobicContact CE1-CG1 4.31Å; Y116-I120 HydrophobicContact CE2-CD1 3.97Å; Y116-I120 HydrophobicContact CE2-CG1 4.08Å; Y116-I120 HydrophobicContact CG-CD1 4.13Å; Y116-I120 VanDerWaalsContact CZ-CD1 3.47Å; Y116-I120 WeakPolarHBondContact O-CB 3.38Å; Y116-I120 VanDerWaalsContact O-CG1 3.28Å; Y116-I120 WeakPolarHBondContact O-CG1 3.38Å; Y116-I120 PolarHBondContact O-N 2.91Å; Y116-K139 HydrophobicContact CE1-CB 3.94Å; Y116-K139 WeakPolarHBondContact OH-CB 3.33Å; Y116-K139 VanDerWaalsContact OH-CD 3.31Å; Y116-K139 WeakPolarHBondContact OH-CD 3.22Å; Y116-L140 HydrophobicContact CD1-CB 4.38Å; Y116-L140 HydrophobicContact CD1-CD1 3.68Å; Y116-L140 HydrophobicContact CE1-CB 4.23Å; Y116-L140 HydrophobicContact CE1-CD1 4.34Å; Y116-I144 HydrophobicContact CD1-CD1 4.28Å; Y116-I330 HydrophobicContact CD2-CB 4.44Å; Y116-I330 HydrophobicContact CD2-CG2 3.77Å; Y116-I330 HydrophobicContact CE2-CG1 4.44Å; Y116-I330 HydrophobicContact CE2-CG2 4.35Å; Y116-I330 HydrophobicContact CG-CG2 3.92Å; Y116-T333 HydrophobicContact CD2-CG2 4.3Å; Y116-T333 HydrophobicContact CE2-CG2 3.77Å; Y116-I334 HydrophobicContact CD2-CG1 4.2Å |
| 117 | F | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.7 | -42.7 | 175.7 | -173.1 | -117.1 | 0 | 0 | 0 | 111.7 | R113 S119 I120 L121 L140 A869 A872 F888 F889 F892 | R113-F117 WeakPolarHBondContact O-CB 3.38Å; R113-F117 PolarHBondContact O-N 2.85Å; F117-S119 VanDerWaalsContact C-N 3.33Å; F117-S119 PolarHBondContact O-N 2.95Å; F117-I120 PolarHBondContact O-N 3.42Å; F117-L121 HydrophobicContact CD1-CD1 4.05Å; F117-L121 HydrophobicContact CE1-CD1 3.62Å; F117-L121 HydrophobicContact CE1-CG 4.4Å; F117-L121 HydrophobicContact CE2-CD1 4.48Å; F117-L121 HydrophobicContact CE2-CG 4.44Å; F117-L121 HydrophobicContact CZ-CD1 3.86Å; F117-L121 HydrophobicContact CZ-CD2 4.33Å; F117-L121 HydrophobicContact CZ-CG 4.25Å; F117-L121 WeakPolarHBondContact O-CG 3.22Å; F117-L121 PolarHBondContact O-N 3Å; F117-L121 VanDerWaalsContact O-N 3.1Å; F117-L140 HydrophobicContact CB-CD1 4.34Å; F117-L140 HydrophobicContact CD2-CD2 4.29Å; F117-A869 HydrophobicContact CD2-CB 4.11Å; F117-A869 HydrophobicContact CE2-CB 3.65Å; F117-A869 HydrophobicContact CZ-CB 4.33Å; F117-A872 HydrophobicContact CE2-CB 4.5Å; F117-A872 HydrophobicContact CZ-CB 4.12Å; F117-F888 HydrophobicContact CZ-CB 4.49Å; F117-F889 HydrophobicContact CD1-CD2 4.16Å; F117-F892 HydrophobicContact CB-CD1 4.15Å; F117-F892 HydrophobicContact CB-CE1 3.97Å; F117-F892 HydrophobicContact CB-CZ 4.34Å; F117-F892 HydrophobicContact CD1-CB 3.63Å; F117-F892 AromaticContact CD1-CD1 3.57Å; F117-F892 HydrophobicContact CD1-CD1 3.57Å; F117-F892 HydrophobicContact CD1-CD2 4.05Å; F117-F892 HydrophobicContact CD1-CE1 4.22Å; F117-F892 AromaticContact CD1-CG 3.47Å; F117-F892 HydrophobicContact CD1-CG 3.47Å; F117-F892 VanDerWaalsContact CD1-CG 3.47Å; F117-F892 HydrophobicContact CE1-CB 3.39Å; F117-F892 HydrophobicContact CE1-CD1 4.22Å; F117-F892 HydrophobicContact CE1-CD2 4.06Å; F117-F892 AromaticContact CE1-CG 3.64Å; F117-F892 HydrophobicContact CE1-CG 3.64Å; F117-F892 AromaticContact CG-CD1 3.99Å; F117-F892 HydrophobicContact CG-CD1 3.99Å; F117-F892 HydrophobicContact CG-CD2 4.28Å; F117-F892 HydrophobicContact CG-CE1 4.17Å; F117-F892 HydrophobicContact CG-CE2 4.45Å; F117-F892 HydrophobicContact CG-CG 4.05Å; F117-F892 HydrophobicContact CG-CZ 4.4Å; F117-F892 HydrophobicContact CZ-CB 4.24Å; F117-F892 HydrophobicContact CZ-CD2 4.33Å; F117-F892 HydrophobicContact CZ-CG 4.35Å |
| 118 | K | 94.8 | Very high | 92.8 | Very high | 108 Ų | 108 | 22.2 Ų | 22.2 | 47% | 0.47 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -60 | -43 | 173.5 | -171.2 | 176.3 | 178.9 | -178 | 0 | 111.8 | L114 L115 Y116 L121 R122 F889 | L114-K118 VanDerWaalsContact O-CB 3.3Å; L114-K118 WeakPolarHBondContact O-CB 3.44Å; L114-K118 PolarHBondContact O-N 3.24Å; L115-K118 PolarHBondContact O-N 3.45Å; Y116-K118 PolarHBondContact O-N 2.96Å; K118-L121 PolarHBondContact O-N 3.38Å; K118-R122 PolarHBondContact O-N 3.45Å; K118-R122 VanDerWaalsContact O-N 3.12Å; K118-F889 HydrophobicContact CB-CD2 3.89Å; K118-F889 HydrophobicContact CB-CE2 3.69Å; K118-F889 HydrophobicContact CB-CZ 4.39Å; K118-F889 HydrophobicContact CD-CE2 4.39Å; K118-F889 HydrophobicContact CD-CZ 4.28Å; K118-F889 HydrophobicContact CG-CD2 4.36Å; K118-F889 HydrophobicContact CG-CE2 4.28Å |
| 119 | S | 93.4 | Very high | 92.3 | Very high | 10 Ų | 10 | 24.9 Ų | 24.9 | 7% | 0.07 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -70 | -35.4 | -179.1 | 71.1 | 0 | 0 | 0 | 0 | 112.1 | L115 Y116 F117 R122 Q123 | L115-S119 WeakPolarHBondContact O-CB 3.35Å; L115-S119 PolarHBondContact O-N 3.27Å; L115-S119 PolarHBondContact O-OG 3.12Å; Y116-S119 WeakPolarHBondContact CA-OG 3.34Å; Y116-S119 PolarHBondContact O-N 3.49Å; Y116-S119 PolarHBondContact O-OG 2.93Å; F117-S119 VanDerWaalsContact C-N 3.33Å; F117-S119 PolarHBondContact O-N 2.95Å; S119-R122 PolarHBondContact O-N 3.26Å; S119-Q123 VanDerWaalsContact O-CG 3.28Å; S119-Q123 WeakPolarHBondContact O-CG 3.43Å; S119-Q123 PolarHBondContact O-N 3.17Å; S119-Q123 PolarHBondContact O-NE2 2.87Å; S119-Q123 VanDerWaalsContact O-NE2 3.1Å |
| 120 | I | 93.8 | Very high | 92 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59 | -50.9 | 171.3 | -73.4 | 162.7 | 0 | 0 | 0 | 110.1 | Y116 F117 R122 Q123 W127 Y128 L136 I873 | Y116-I120 HydrophobicContact CD1-CD1 3.68Å; Y116-I120 HydrophobicContact CD2-CD1 4.27Å; Y116-I120 HydrophobicContact CD2-CG1 4.39Å; Y116-I120 HydrophobicContact CE1-CD1 3.32Å; Y116-I120 HydrophobicContact CE1-CG1 4.31Å; Y116-I120 HydrophobicContact CE2-CD1 3.97Å; Y116-I120 HydrophobicContact CE2-CG1 4.08Å; Y116-I120 HydrophobicContact CG-CD1 4.13Å; Y116-I120 VanDerWaalsContact CZ-CD1 3.47Å; Y116-I120 WeakPolarHBondContact O-CB 3.38Å; Y116-I120 VanDerWaalsContact O-CG1 3.28Å; Y116-I120 WeakPolarHBondContact O-CG1 3.38Å; Y116-I120 PolarHBondContact O-N 2.91Å; F117-I120 PolarHBondContact O-N 3.42Å; I120-R122 PolarHBondContact O-N 3.44Å; I120-Q123 WeakPolarHBondContact O-CB 3.22Å; I120-Q123 PolarHBondContact O-N 3.23Å; I120-Q123 VanDerWaalsContact O-N 3.09Å; I120-W127 HydrophobicContact CG1-CH2 4.34Å; I120-Y128 VanDerWaalsContact C-OH 3.27Å; I120-Y128 HydrophobicContact CG2-CE1 4.22Å; I120-Y128 WeakPolarHBondContact CG2-OH 3.35Å; I120-Y128 PolarHBondContact O-OH 2.8Å; I120-L136 HydrophobicContact CG2-CD1 4.43Å; I120-I873 HydrophobicContact CD1-CD1 4.42Å; I120-I873 HydrophobicContact CG2-CD1 4.05Å; I120-I873 HydrophobicContact CG2-CG1 4.01Å |
| 121 | L | 93.1 | Very high | 91.6 | Very high | 7 Ų | 7 | 32 Ų | 32 | 4% | 0.037 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.4 | -30.2 | -179.4 | -67.2 | 174.7 | 0 | 0 | 0 | 113.1 | F117 K118 K342 A872 E885 F888 F889 | F117-L121 HydrophobicContact CD1-CD1 4.05Å; F117-L121 HydrophobicContact CE1-CD1 3.62Å; F117-L121 HydrophobicContact CE1-CG 4.4Å; F117-L121 HydrophobicContact CE2-CD1 4.48Å; F117-L121 HydrophobicContact CE2-CG 4.44Å; F117-L121 HydrophobicContact CZ-CD1 3.86Å; F117-L121 HydrophobicContact CZ-CD2 4.33Å; F117-L121 HydrophobicContact CZ-CG 4.25Å; F117-L121 WeakPolarHBondContact O-CG 3.22Å; F117-L121 PolarHBondContact O-N 3Å; F117-L121 VanDerWaalsContact O-N 3.1Å; K118-L121 PolarHBondContact O-N 3.38Å; L121-K342 PolarHBondContact O-NZ 3.45Å; L121-A872 HydrophobicContact CD2-CB 4.16Å; L121-E885 HydrophobicContact CB-CB 4.09Å; L121-E885 HydrophobicContact CB-CG 4.1Å; L121-E885 WeakPolarHBondContact CD1-O 3.28Å; L121-F888 HydrophobicContact CD1-CB 4.46Å; L121-F889 HydrophobicContact CD1-CB 4.1Å |
| 122 | R | 93.5 | Very high | 91.2 | Very high | 78 Ų | 78 | 30.9 Ų | 30.9 | 29% | 0.294 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -73 | -25 | 176.2 | -173.3 | 177.2 | 173.8 | -165.5 | 6 | 113.6 | K118 S119 I120 P338 D341 D343 | K118-R122 PolarHBondContact O-N 3.45Å; K118-R122 VanDerWaalsContact O-N 3.12Å; S119-R122 PolarHBondContact O-N 3.26Å; I120-R122 PolarHBondContact O-N 3.44Å; R122-P338 HydrophobicContact CG-CG 4.34Å; R122-D341 IonicContact CZ-OD1 3.79Å; R122-D341 IonicContact CZ-OD2 3.36Å; R122-D341 IonicContact NE-OD1 3.7Å; R122-D341 PolarHBondContact NE-OD1 3.27Å; R122-D341 IonicContact NE-OD2 2.59Å; R122-D341 VanDerWaalsContact NH2-CG 3.33Å; R122-D341 IonicContact NH2-OD1 2.78Å; R122-D341 PolarHBondContact NH2-OD1 2.93Å; R122-D341 IonicContact NH2-OD2 3.26Å; R122-D341 PolarHBondContact NH2-OD2 2.96Å; R122-D343 WeakPolarHBondContact CD-OD2 3.36Å; R122-D343 IonicContact NE-OD2 3.64Å |
| 123 | Q | 92.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -60.8 | 155.5 | -176.8 | -60.8 | -50.7 | -42.6 | 0 | 0 | 112.8 | S119 I120 W127 Y128 T333 R336 K342 | S119-Q123 VanDerWaalsContact O-CG 3.28Å; S119-Q123 WeakPolarHBondContact O-CG 3.43Å; S119-Q123 PolarHBondContact O-N 3.17Å; S119-Q123 PolarHBondContact O-NE2 2.87Å; S119-Q123 VanDerWaalsContact O-NE2 3.1Å; I120-Q123 WeakPolarHBondContact O-CB 3.22Å; I120-Q123 PolarHBondContact O-N 3.23Å; I120-Q123 VanDerWaalsContact O-N 3.09Å; Q123-W127 HydrophobicContact CB-CB 4.39Å; Q123-W127 HydrophobicContact CB-CD2 3.91Å; Q123-W127 HydrophobicContact CB-CE3 3.53Å; Q123-W127 HydrophobicContact CB-CG 4.31Å; Q123-W127 HydrophobicContact CB-CZ3 4.08Å; Q123-W127 HydrophobicContact CG-CD2 3.78Å; Q123-W127 HydrophobicContact CG-CE3 3.63Å; Q123-W127 HydrophobicContact CG-CG 4.37Å; Q123-W127 HydrophobicContact CG-CH2 4.22Å; Q123-W127 HydrophobicContact CG-CZ2 4.38Å; Q123-W127 HydrophobicContact CG-CZ3 3.87Å; Q123-Y128 HydrophobicContact CB-CE2 4.11Å; Q123-T333 PolarHBondContact NE2-O 3.29Å; Q123-R336 PolarHBondContact NE2-O 2.94Å; Q123-K342 WeakPolarHBondContact O-CE 3.32Å |
| 124 | D | 91.3 | Very high | 90.1 | Very high | 5 Ų | 5 | 35.9 Ų | 35.9 | 3% | 0.027 | 20% | 0.198 | C | C | . | . | trans | -81.5 | 156.6 | 178.1 | 52.6 | -1.9 | 0 | 0 | 0 | 112.2 | P126 W127 Y128 R336 P338 Q339 I340 | D124-P126 VanDerWaalsContact C-CD 3.49Å; D124-W127 WeakPolarHBondContact O-CB 3.46Å; D124-W127 PolarHBondContact O-N 3.44Å; D124-W127 VanDerWaalsContact O-N 3.12Å; D124-W127 VanDerWaalsContact OD1-CB 3.27Å; D124-W127 WeakPolarHBondContact OD1-CB 3.38Å; D124-Y128 WeakPolarHBondContact O-CD2 3.36Å; D124-Y128 PolarHBondContact O-N 2.84Å; D124-R336 IonicContact OD1-CZ 2.81Å; D124-R336 IonicContact OD1-NH1 3.32Å; D124-R336 PolarHBondContact OD1-NH1 2.87Å; D124-R336 IonicContact OD1-NH2 3.57Å; D124-P338 HydrophobicContact CB-CB 4.1Å; D124-Q339 PolarHBondContact OD2-N 3.28Å; D124-I340 HydrophobicContact CB-CB 4.05Å | ||
| 125 | I | 91.2 | Very high | 89.8 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.6 | -38.2 | -178.2 | -57.8 | -57.5 | 0 | 0 | 0 | 113.1 | W127 Y128 D129 F407 Y408 R877 T880 | I125-W127 PolarHBondContact O-N 2.82Å; I125-Y128 CarbonylContact O-C 2.93Å; I125-Y128 WeakPolarHBondContact O-CA 3.33Å; I125-Y128 WeakPolarHBondContact O-CB 3.08Å; I125-Y128 PolarHBondContact O-N 3.46Å; I125-D129 PolarHBondContact O-N 2.95Å; I125-F407 HydrophobicContact CB-CB 4.16Å; I125-F407 HydrophobicContact CB-CG 4.43Å; I125-F407 HydrophobicContact CG1-CB 3.94Å; I125-F407 HydrophobicContact CG1-CD1 3.76Å; I125-F407 HydrophobicContact CG1-CD2 4.2Å; I125-F407 HydrophobicContact CG1-CE1 4.23Å; I125-F407 HydrophobicContact CG1-CG 3.72Å; I125-Y408 HydrophobicContact CG2-CE2 4.44Å; I125-Y408 WeakPolarHBondContact CG2-OH 3.34Å; I125-R877 HydrophobicContact CD1-CG 4.22Å; I125-T880 HydrophobicContact CD1-CG2 4.41Å |
| 126 | P | 89.8 | Confident | 89.5 | Confident | 17 Ų | 17 | 33.3 Ų | 33.3 | 11% | 0.11 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -50.1 | -41.7 | 171.6 | -33.2 | 37.7 | 0 | 0 | 0 | 114.3 | D124 D129 E130 P366 F407 Y408 | D124-P126 VanDerWaalsContact C-CD 3.49Å; P126-D129 PolarHBondContact O-N 3.31Å; P126-E130 PolarHBondContact O-N 3.32Å; P126-P366 HydrophobicContact CB-CG 4.1Å; P126-P366 HydrophobicContact CG-CG 4.43Å; P126-F407 WeakPolarHBondContact CD-O 3.38Å; P126-Y408 HydrophobicContact CG-CD1 3.68Å; P126-Y408 HydrophobicContact CG-CE1 3.86Å |
| 127 | W | 90.7 | Very high | 89.2 | Confident | 5 Ų | 5 | 34.7 Ų | 34.7 | 2% | 0.019 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70 | -36.5 | 177.8 | -178.6 | 86 | 0 | 0 | 0 | 111.8 | I120 Q123 D124 I125 D129 E130 Q131 L136 T333 R336 | I120-W127 HydrophobicContact CG1-CH2 4.34Å; Q123-W127 HydrophobicContact CB-CB 4.39Å; Q123-W127 HydrophobicContact CB-CD2 3.91Å; Q123-W127 HydrophobicContact CB-CE3 3.53Å; Q123-W127 HydrophobicContact CB-CG 4.31Å; Q123-W127 HydrophobicContact CB-CZ3 4.08Å; Q123-W127 HydrophobicContact CG-CD2 3.78Å; Q123-W127 HydrophobicContact CG-CE3 3.63Å; Q123-W127 HydrophobicContact CG-CG 4.37Å; Q123-W127 HydrophobicContact CG-CH2 4.22Å; Q123-W127 HydrophobicContact CG-CZ2 4.38Å; Q123-W127 HydrophobicContact CG-CZ3 3.87Å; D124-W127 WeakPolarHBondContact O-CB 3.46Å; D124-W127 PolarHBondContact O-N 3.44Å; D124-W127 VanDerWaalsContact O-N 3.12Å; D124-W127 VanDerWaalsContact OD1-CB 3.27Å; D124-W127 WeakPolarHBondContact OD1-CB 3.38Å; I125-W127 PolarHBondContact O-N 2.82Å; W127-D129 VanDerWaalsContact C-N 3.31Å; W127-D129 PolarHBondContact O-N 3.19Å; W127-E130 PolarHBondContact O-N 3.44Å; W127-Q131 HydrophobicContact CD2-CG 3.89Å; W127-Q131 HydrophobicContact CE3-CG 4.1Å; W127-Q131 HydrophobicContact CH2-CG 4.02Å; W127-Q131 HydrophobicContact CZ2-CG 3.76Å; W127-Q131 HydrophobicContact CZ3-CG 4.17Å; W127-Q131 VanDerWaalsContact O-CG 3.25Å; W127-Q131 WeakPolarHBondContact O-CG 3.33Å; W127-Q131 PolarHBondContact O-N 3.07Å; W127-L136 HydrophobicContact CH2-CD1 4Å; W127-L136 HydrophobicContact CH2-CD2 3.46Å; W127-L136 VanDerWaalsContact CH2-CD2 3.46Å; W127-L136 HydrophobicContact CH2-CG 4.4Å; W127-L136 HydrophobicContact CZ2-CD2 4.19Å; W127-L136 HydrophobicContact CZ3-CD1 3.84Å; W127-L136 HydrophobicContact CZ3-CD2 4.17Å; W127-T333 HydrophobicContact CH2-CG2 3.97Å; W127-T333 HydrophobicContact CZ2-CG2 3.62Å; W127-R336 VanDerWaalsContact CB-NH1 3.27Å |
| 128 | Y | 89.5 | Confident | 88.7 | Confident | 15 Ų | 15 | 36.5 Ų | 36.5 | 6% | 0.059 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.4 | -34.7 | 172.3 | -82.3 | -81.5 | 0 | 0 | 0 | 112.7 | I120 Q123 D124 I125 E130 Q131 L136 I873 N876 | I120-Y128 VanDerWaalsContact C-OH 3.27Å; I120-Y128 HydrophobicContact CG2-CE1 4.22Å; I120-Y128 WeakPolarHBondContact CG2-OH 3.35Å; I120-Y128 PolarHBondContact O-OH 2.8Å; Q123-Y128 HydrophobicContact CB-CE2 4.11Å; D124-Y128 WeakPolarHBondContact O-CD2 3.36Å; D124-Y128 PolarHBondContact O-N 2.84Å; I125-Y128 CarbonylContact O-C 2.93Å; I125-Y128 WeakPolarHBondContact O-CA 3.33Å; I125-Y128 WeakPolarHBondContact O-CB 3.08Å; I125-Y128 PolarHBondContact O-N 3.46Å; Y128-E130 PolarHBondContact O-N 3.46Å; Y128-Q131 PolarHBondContact O-N 2.91Å; Y128-L136 HydrophobicContact CD1-CD1 4.34Å; Y128-L136 HydrophobicContact CE1-CD1 4.12Å; Y128-I873 HydrophobicContact CE1-CG2 4.41Å; Y128-N876 HydrophobicContact CD1-CB 3.96Å; Y128-N876 WeakPolarHBondContact CD1-ND2 3.27Å; Y128-N876 HydrophobicContact CD2-CB 4.48Å; Y128-N876 HydrophobicContact CE1-CB 3.78Å; Y128-N876 HydrophobicContact CE2-CB 4.35Å; Y128-N876 HydrophobicContact CG-CB 4.28Å |
| 129 | D | 85 | Confident | 88.4 | Confident | 58 Ų | 58 | 32.6 Ų | 32.6 | 31% | 0.31 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -67.2 | -26.4 | 177.9 | -64.2 | -30.4 | 0 | 0 | 0 | 112.1 | I125 P126 W127 Y408 R877 | I125-D129 PolarHBondContact O-N 2.95Å; P126-D129 PolarHBondContact O-N 3.31Å; W127-D129 VanDerWaalsContact C-N 3.31Å; W127-D129 PolarHBondContact O-N 3.19Å; D129-Y408 WeakPolarHBondContact OD2-CE1 3.19Å; D129-Y408 PolarHBondContact OD2-OH 3.38Å; D129-R877 IonicContact OD1-NH2 3.02Å; D129-R877 PolarHBondContact OD1-NH2 3.42Å |
| 130 | E | 84.4 | Confident | 88.1 | Confident | 123 Ų | 123 | 32.1 Ų | 32.1 | 58% | 0.575 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -86 | -20 | 175.3 | -68.5 | 178.2 | -178.4 | 0 | 0 | 113.9 | P126 W127 Y128 | P126-E130 PolarHBondContact O-N 3.32Å; W127-E130 PolarHBondContact O-N 3.44Å; Y128-E130 PolarHBondContact O-N 3.46Å |
| 131 | Q | 82.6 | Confident | 87.7 | Confident | 47 Ų | 47 | 33.7 Ų | 33.7 | 22% | 0.22 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -104.5 | 133.5 | -176.3 | -60.7 | -62.9 | -49.4 | 0 | 0 | 111.3 | W127 Y128 L136 | W127-Q131 HydrophobicContact CD2-CG 3.89Å; W127-Q131 HydrophobicContact CE3-CG 4.1Å; W127-Q131 HydrophobicContact CH2-CG 4.02Å; W127-Q131 HydrophobicContact CZ2-CG 3.76Å; W127-Q131 HydrophobicContact CZ3-CG 4.17Å; W127-Q131 VanDerWaalsContact O-CG 3.25Å; W127-Q131 WeakPolarHBondContact O-CG 3.33Å; W127-Q131 PolarHBondContact O-N 3.07Å; Y128-Q131 PolarHBondContact O-N 2.91Å; Q131-L136 HydrophobicContact CB-CD1 4.25Å; Q131-L136 HydrophobicContact CB-CD2 4.25Å; Q131-L136 HydrophobicContact CB-CG 4.3Å; Q131-L136 HydrophobicContact CG-CD2 4.41Å |
| 132 | S | 83.4 | Confident | 87.2 | Confident | 75 Ų | 75 | 39.2 Ų | 39.2 | 52% | 0.524 | 22% | 0.223 | S | C | . | . | trans | -76.5 | 134.7 | 168.9 | 66.7 | 0 | 0 | 0 | 0 | 110.7 | G134 S135 L136 | S132-G134 VanDerWaalsContact C-N 3.25Å; S132-G134 PolarHBondContact O-N 3.44Å; S132-S135 WeakPolarHBondContact O-CB 3.4Å; S132-S135 PolarHBondContact O-N 3.47Å; S132-S135 PolarHBondContact O-OG 3.31Å; S132-S135 WeakPolarHBondContact OG-CB 3.45Å; S132-S135 PolarHBondContact OG-N 2.99Å; S132-S135 PolarHBondContact OG-OG 3.29Å; S132-L136 PolarHBondContact O-N 3.1Å | ||
| 133 | S | 82.5 | Confident | 87 | Confident | 65 Ų | 65 | 36.8 Ų | 36.8 | 46% | 0.455 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -54.3 | -42 | 177.4 | 55.3 | 0 | 0 | 0 | 0 | 112.3 | S135 L136 I137 | S133-S135 VanDerWaalsContact C-N 3.31Å; S133-S135 PolarHBondContact O-N 3.28Å; S133-L136 PolarHBondContact O-N 3.24Å; S133-I137 WeakPolarHBondContact O-CG1 3.32Å; S133-I137 PolarHBondContact O-N 3.15Å; S133-I137 VanDerWaalsContact O-N 3.11Å |
| 134 | G | 82.4 | Confident | 86.8 | Confident | 50 Ų | 50 | 36.8 Ų | 36.8 | 52% | 0.515 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.2 | -35.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S132 S138 | S132-G134 VanDerWaalsContact C-N 3.25Å; S132-G134 PolarHBondContact O-N 3.44Å; G134-S138 WeakPolarHBondContact O-CB 3.32Å; G134-S138 PolarHBondContact O-N 3.39Å |
| 135 | S | 86.5 | Confident | 86.6 | Confident | 31 Ų | 31 | 39.3 Ų | 39.3 | 22% | 0.217 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.8 | -38.4 | 175.8 | 75.7 | 0 | 0 | 0 | 0 | 112.3 | S132 S133 S138 K139 | S132-S135 WeakPolarHBondContact O-CB 3.4Å; S132-S135 PolarHBondContact O-N 3.47Å; S132-S135 PolarHBondContact O-OG 3.31Å; S132-S135 WeakPolarHBondContact OG-CB 3.45Å; S132-S135 PolarHBondContact OG-N 2.99Å; S132-S135 PolarHBondContact OG-OG 3.29Å; S133-S135 VanDerWaalsContact C-N 3.31Å; S133-S135 PolarHBondContact O-N 3.28Å; S135-S138 PolarHBondContact O-N 3.22Å; S135-K139 WeakPolarHBondContact O-CB 3.29Å; S135-K139 VanDerWaalsContact O-CG 3.26Å; S135-K139 WeakPolarHBondContact O-CG 3.25Å; S135-K139 PolarHBondContact O-N 3Å |
| 136 | L | 89.1 | Confident | 86.4 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.7 | -40.8 | 178.2 | -61.4 | -179.5 | 0 | 0 | 0 | 111.4 | I120 W127 Y128 Q131 S132 S133 K139 L140 I873 | I120-L136 HydrophobicContact CG2-CD1 4.43Å; W127-L136 HydrophobicContact CH2-CD1 4Å; W127-L136 HydrophobicContact CH2-CD2 3.46Å; W127-L136 VanDerWaalsContact CH2-CD2 3.46Å; W127-L136 HydrophobicContact CH2-CG 4.4Å; W127-L136 HydrophobicContact CZ2-CD2 4.19Å; W127-L136 HydrophobicContact CZ3-CD1 3.84Å; W127-L136 HydrophobicContact CZ3-CD2 4.17Å; Y128-L136 HydrophobicContact CD1-CD1 4.34Å; Y128-L136 HydrophobicContact CE1-CD1 4.12Å; Q131-L136 HydrophobicContact CB-CD1 4.25Å; Q131-L136 HydrophobicContact CB-CD2 4.25Å; Q131-L136 HydrophobicContact CB-CG 4.3Å; Q131-L136 HydrophobicContact CG-CD2 4.41Å; S132-L136 PolarHBondContact O-N 3.1Å; S133-L136 PolarHBondContact O-N 3.24Å; L136-K139 PolarHBondContact O-N 3Å; L136-L140 WeakPolarHBondContact O-CB 3.5Å; L136-L140 PolarHBondContact O-N 3.37Å; L136-I873 HydrophobicContact CB-CD1 4.1Å; L136-I873 HydrophobicContact CB-CG2 4.39Å; L136-I873 HydrophobicContact CD1-CG2 3.93Å |
| 137 | I | 88 | Confident | 86.5 | Confident | 29 Ų | 29 | 41 Ų | 41 | 15% | 0.149 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.1 | -41.4 | 174.8 | -62.7 | -63 | 0 | 0 | 0 | 111.4 | S133 K139 L140 S141 A869 Q870 I873 | S133-I137 WeakPolarHBondContact O-CG1 3.32Å; S133-I137 PolarHBondContact O-N 3.15Å; S133-I137 VanDerWaalsContact O-N 3.11Å; I137-K139 VanDerWaalsContact C-N 3.34Å; I137-K139 PolarHBondContact O-N 3.22Å; I137-L140 PolarHBondContact O-N 3.01Å; I137-S141 WeakPolarHBondContact O-CB 3.29Å; I137-S141 PolarHBondContact O-N 3Å; I137-S141 PolarHBondContact O-OG 3.08Å; I137-A869 HydrophobicContact CD1-CB 4.07Å; I137-Q870 HydrophobicContact CD1-CB 4.07Å; I137-I873 HydrophobicContact CD1-CD1 3.85Å |
| 138 | S | 84.5 | Confident | 86.4 | Confident | 39 Ų | 39 | 41.7 Ų | 41.7 | 27% | 0.273 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.9 | -41.4 | 173.5 | -176.6 | 0 | 0 | 0 | 0 | 111.9 | G134 S135 L140 S141 Q142 N143 | G134-S138 WeakPolarHBondContact O-CB 3.32Å; G134-S138 PolarHBondContact O-N 3.39Å; S135-S138 PolarHBondContact O-N 3.22Å; S138-L140 PolarHBondContact O-N 3.26Å; S138-S141 PolarHBondContact O-N 3.41Å; S138-S141 PolarHBondContact O-OG 3.27Å; S138-Q142 WeakPolarHBondContact O-CA 3.44Å; S138-Q142 WeakPolarHBondContact O-CB 2.97Å; S138-Q142 PolarHBondContact O-N 3.01Å; S138-N143 PolarHBondContact O-N 3.33Å |
| 139 | K | 88.9 | Confident | 86.3 | Confident | 26 Ų | 26 | 46.4 Ų | 46.4 | 11% | 0.113 | 26% | 0.257 | C | S | . | . | I | π-helix | trans | -62.4 | -43.3 | 175.7 | -73.4 | 169.4 | -174.8 | 178.6 | 0 | 111.8 | Y116 S135 L136 I137 S141 N143 I144 E329 | Y116-K139 HydrophobicContact CE1-CB 3.94Å; Y116-K139 WeakPolarHBondContact OH-CB 3.33Å; Y116-K139 VanDerWaalsContact OH-CD 3.31Å; Y116-K139 WeakPolarHBondContact OH-CD 3.22Å; S135-K139 WeakPolarHBondContact O-CB 3.29Å; S135-K139 VanDerWaalsContact O-CG 3.26Å; S135-K139 WeakPolarHBondContact O-CG 3.25Å; S135-K139 PolarHBondContact O-N 3Å; L136-K139 PolarHBondContact O-N 3Å; I137-K139 VanDerWaalsContact C-N 3.34Å; I137-K139 PolarHBondContact O-N 3.22Å; K139-S141 VanDerWaalsContact C-N 3.35Å; K139-S141 PolarHBondContact O-N 3.42Å; K139-N143 WeakPolarHBondContact O-CB 3.48Å; K139-I144 WeakPolarHBondContact O-CG1 3.19Å; K139-I144 PolarHBondContact O-N 3.22Å; K139-E329 WeakPolarHBondContact CE-OE2 3.26Å; K139-E329 IonicContact NZ-OE2 3.05Å |
| 140 | L | 87.8 | Confident | 86.4 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | I | π-helix | trans | -68.6 | -30.3 | 179.9 | -170.5 | 69.1 | 0 | 0 | 0 | 113.3 | R113 Y116 F117 L136 I137 S138 I144 M866 A869 F892 | R113-L140 HydrophobicContact CG-CD1 3.78Å; R113-L140 HydrophobicContact CG-CG 4.49Å; Y116-L140 HydrophobicContact CD1-CB 4.38Å; Y116-L140 HydrophobicContact CD1-CD1 3.68Å; Y116-L140 HydrophobicContact CE1-CB 4.23Å; Y116-L140 HydrophobicContact CE1-CD1 4.34Å; F117-L140 HydrophobicContact CB-CD1 4.34Å; F117-L140 HydrophobicContact CD2-CD2 4.29Å; L136-L140 WeakPolarHBondContact O-CB 3.5Å; L136-L140 PolarHBondContact O-N 3.37Å; I137-L140 PolarHBondContact O-N 3.01Å; S138-L140 PolarHBondContact O-N 3.26Å; L140-I144 HydrophobicContact CD1-CD1 4.03Å; L140-I144 WeakPolarHBondContact O-CD1 3.42Å; L140-M866 HydrophobicContact CB-SD 4.4Å; L140-M866 HydrophobicContact CD2-CE 3.7Å; L140-M866 HydrophobicContact CD2-SD 3.92Å; L140-M866 HydrophobicContact CG-CE 3.85Å; L140-M866 HydrophobicContact CG-SD 4.03Å; L140-A869 HydrophobicContact CD2-CB 3.48Å; L140-A869 VanDerWaalsContact CD2-CB 3.48Å; L140-F892 HydrophobicContact CD1-CZ 4.25Å; L140-F892 HydrophobicContact CD2-CE2 3.93Å; L140-F892 HydrophobicContact CD2-CZ 4.03Å; L140-F892 HydrophobicContact CG-CZ 4.46Å |
| 141 | S | 84.3 | Confident | 86.7 | Confident | 33 Ų | 33 | 37.9 Ų | 37.9 | 23% | 0.231 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -94.1 | -68.7 | 179.2 | 55.4 | 0 | 0 | 0 | 0 | 112.3 | I137 S138 K139 E145 | I137-S141 WeakPolarHBondContact O-CB 3.29Å; I137-S141 PolarHBondContact O-N 3Å; I137-S141 PolarHBondContact O-OG 3.08Å; S138-S141 PolarHBondContact O-N 3.41Å; S138-S141 PolarHBondContact O-OG 3.27Å; K139-S141 VanDerWaalsContact C-N 3.35Å; K139-S141 PolarHBondContact O-N 3.42Å; S141-E145 WeakPolarHBondContact O-CG 3.41Å |
| 142 | Q | 84 | Confident | 86.8 | Confident | 122 Ų | 122 | 35.7 Ų | 35.7 | 57% | 0.57 | 21% | 0.206 | S | C | * | . | I | π-helix | trans | -77.8 | -48.8 | -170.5 | -59.9 | -177.6 | 2 | 0 | 0 | 113.4 | S138 I144 E145 L146 | S138-Q142 WeakPolarHBondContact O-CA 3.44Å; S138-Q142 WeakPolarHBondContact O-CB 2.97Å; S138-Q142 PolarHBondContact O-N 3.01Å; Q142-I144 VanDerWaalsContact C-N 3.34Å; Q142-I144 PolarHBondContact O-N 2.76Å; Q142-E145 WeakPolarHBondContact O-CB 3.36Å; Q142-E145 PolarHBondContact O-N 2.87Å; Q142-E145 VanDerWaalsContact O-N 3.12Å; Q142-L146 PolarHBondContact O-N 2.68Å |
| 143 | N | 87.5 | Confident | 86.8 | Confident | 28 Ų | 28 | 35.1 Ų | 35.1 | 15% | 0.15 | 20% | 0.199 | C | C | . | . | I | π-helix | trans | -66.7 | -36.9 | -175.1 | -73.6 | 11.4 | 0 | 0 | 0 | 111.8 | S138 K139 E145 L146 I147 I330 | S138-N143 PolarHBondContact O-N 3.33Å; K139-N143 WeakPolarHBondContact O-CB 3.48Å; N143-E145 VanDerWaalsContact C-N 3.31Å; N143-E145 PolarHBondContact O-N 2.83Å; N143-L146 WeakPolarHBondContact O-CB 3.28Å; N143-L146 PolarHBondContact O-N 3.1Å; N143-I147 WeakPolarHBondContact O-CG1 3.21Å; N143-I147 PolarHBondContact O-N 2.92Å; N143-I147 VanDerWaalsContact O-N 3.13Å; N143-I330 HydrophobicContact CB-CD1 3.88Å |
| 144 | I | 90.1 | Very high | 87 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.9 | -39 | 173.2 | -71.1 | -176 | 0 | 0 | 0 | 111.5 | I109 R113 Y116 K139 L140 Q142 L146 I147 E148 I330 | I109-I144 HydrophobicContact CB-CG2 4.48Å; I109-I144 HydrophobicContact CD1-CG2 4.42Å; I109-I144 HydrophobicContact CG2-CG2 3.47Å; I109-I144 VanDerWaalsContact CG2-CG2 3.47Å; R113-I144 HydrophobicContact CB-CD1 3.92Å; R113-I144 HydrophobicContact CG-CD1 4.09Å; Y116-I144 HydrophobicContact CD1-CD1 4.28Å; K139-I144 WeakPolarHBondContact O-CG1 3.19Å; K139-I144 PolarHBondContact O-N 3.22Å; L140-I144 HydrophobicContact CD1-CD1 4.03Å; L140-I144 WeakPolarHBondContact O-CD1 3.42Å; Q142-I144 VanDerWaalsContact C-N 3.34Å; Q142-I144 PolarHBondContact O-N 2.76Å; I144-L146 VanDerWaalsContact C-N 3.32Å; I144-L146 PolarHBondContact O-N 3.01Å; I144-I147 PolarHBondContact O-N 3.16Å; I144-E148 PolarHBondContact O-N 3.15Å; I144-I330 HydrophobicContact CG1-CD1 3.55Å |
| 145 | E | 86.3 | Confident | 87.5 | Confident | 59 Ų | 59 | 31.4 Ų | 31.4 | 28% | 0.276 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -66.1 | -32.7 | 174.5 | -76.1 | -174 | -179.4 | 0 | 0 | 113.1 | S141 Q142 N143 E148 R149 | S141-E145 WeakPolarHBondContact O-CG 3.41Å; Q142-E145 WeakPolarHBondContact O-CB 3.36Å; Q142-E145 PolarHBondContact O-N 2.87Å; Q142-E145 VanDerWaalsContact O-N 3.12Å; N143-E145 VanDerWaalsContact C-N 3.31Å; N143-E145 PolarHBondContact O-N 2.83Å; E145-E148 VanDerWaalsContact O-CB 3.26Å; E145-E148 WeakPolarHBondContact O-CB 3.43Å; E145-E148 PolarHBondContact O-N 3.44Å; E145-R149 WeakPolarHBondContact O-CG 3.22Å; E145-R149 PolarHBondContact O-N 2.98Å |
| 146 | L | 87.3 | Confident | 87.7 | Confident | 56 Ų | 56 | 29.9 Ų | 29.9 | 29% | 0.293 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -65.6 | -40.7 | 173.9 | -67.4 | 176.1 | 0 | 0 | 0 | 111.4 | Q142 N143 I144 E148 R149 G150 | Q142-L146 PolarHBondContact O-N 2.68Å; N143-L146 WeakPolarHBondContact O-CB 3.28Å; N143-L146 PolarHBondContact O-N 3.1Å; I144-L146 VanDerWaalsContact C-N 3.32Å; I144-L146 PolarHBondContact O-N 3.01Å; L146-E148 VanDerWaalsContact C-N 3.32Å; L146-R149 PolarHBondContact O-N 2.84Å; L146-G150 PolarHBondContact O-N 3.09Å; L146-G150 VanDerWaalsContact O-N 3.16Å |
| 147 | I | 91.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.1 | -45.9 | 172.8 | -60.5 | 172.2 | 0 | 0 | 0 | 109.8 | I109 N143 I144 R149 G150 I151 A327 I330 | I109-I147 HydrophobicContact CD1-CB 4.1Å; I109-I147 HydrophobicContact CD1-CG2 3.81Å; N143-I147 WeakPolarHBondContact O-CG1 3.21Å; N143-I147 PolarHBondContact O-N 2.92Å; N143-I147 VanDerWaalsContact O-N 3.13Å; I144-I147 PolarHBondContact O-N 3.16Å; I147-R149 VanDerWaalsContact C-N 3.34Å; I147-R149 PolarHBondContact O-N 2.92Å; I147-G150 PolarHBondContact O-N 2.6Å; I147-G150 VanDerWaalsContact O-N 3.1Å; I147-I151 HydrophobicContact CG2-CD1 4.36Å; I147-I151 HydrophobicContact CG2-CG2 4.37Å; I147-I151 WeakPolarHBondContact O-CG1 3.42Å; I147-I151 PolarHBondContact O-N 3.1Å; I147-A327 HydrophobicContact CD1-CB 3.91Å; I147-A327 HydrophobicContact CG1-CB 4.24Å; I147-I330 HydrophobicContact CD1-CD1 3.83Å |
| 148 | E | 89.7 | Confident | 88 | Confident | 18 Ų | 18 | 31.2 Ų | 31.2 | 8% | 0.084 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -53.9 | -48.3 | 178.2 | -163.1 | -172 | 112.6 | 0 | 0 | 113 | I109 I144 E145 L146 G150 I151 G152 K858 R903 | I109-E148 HydrophobicContact CD1-CB 4.21Å; I109-E148 HydrophobicContact CG1-CB 3.6Å; I109-E148 HydrophobicContact CG1-CG 3.66Å; I144-E148 PolarHBondContact O-N 3.15Å; E145-E148 VanDerWaalsContact O-CB 3.26Å; E145-E148 WeakPolarHBondContact O-CB 3.43Å; E145-E148 PolarHBondContact O-N 3.44Å; L146-E148 VanDerWaalsContact C-N 3.32Å; E148-G150 VanDerWaalsContact C-N 3.28Å; E148-G150 PolarHBondContact O-N 2.69Å; E148-I151 PolarHBondContact O-N 2.99Å; E148-G152 PolarHBondContact O-N 3.37Å; E148-K858 IonicContact OE1-NZ 3.16Å; E148-K858 PolarHBondContact OE1-NZ 2.91Å; E148-K858 IonicContact OE2-NZ 2.61Å; E148-R903 IonicContact OE1-CZ 2.64Å; E148-R903 IonicContact OE1-NH1 2.62Å; E148-R903 IonicContact OE1-NH2 3.78Å; E148-R903 PolarHBondContact OE1-NH2 2.86Å; E148-R903 IonicContact OE2-CZ 3.55Å; E148-R903 IonicContact OE2-NH1 3.33Å; E148-R903 PolarHBondContact OE2-NH1 3.21Å; E148-R903 IonicContact OE2-NH2 3.01Å; E148-R903 PolarHBondContact OE2-NH2 2.85Å |
| 149 | R | 85.4 | Confident | 88.4 | Confident | 114 Ų | 114 | 31 Ų | 31 | 43% | 0.43 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -63.9 | -36.9 | 179.9 | -72.2 | -179 | -174 | -171.2 | 3.9 | 111.1 | E145 L146 I147 T154 Y319 | E145-R149 WeakPolarHBondContact O-CG 3.22Å; E145-R149 PolarHBondContact O-N 2.98Å; L146-R149 PolarHBondContact O-N 2.84Å; I147-R149 VanDerWaalsContact C-N 3.34Å; I147-R149 PolarHBondContact O-N 2.92Å; R149-T154 WeakPolarHBondContact O-CB 3.47Å; R149-T154 PolarHBondContact O-OG1 3.41Å; R149-Y319 HydrophobicContact CB-CD1 4.32Å |
| 150 | G | 87.1 | Confident | 88.7 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69 | -44.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L146 I147 E148 F320 | L146-G150 PolarHBondContact O-N 3.09Å; L146-G150 VanDerWaalsContact O-N 3.16Å; I147-G150 PolarHBondContact O-N 2.6Å; I147-G150 VanDerWaalsContact O-N 3.1Å; E148-G150 VanDerWaalsContact C-N 3.28Å; E148-G150 PolarHBondContact O-N 2.69Å; G150-F320 WeakPolarHBondContact O-CE1 3.5Å |
| 151 | I | 91.1 | Very high | 88.9 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -88.4 | -17 | -175.3 | 69.3 | 177.7 | 0 | 0 | 0 | 114.3 | L26 F27 A105 Q108 I109 I147 E148 | L26-I151 HydrophobicContact CB-CG2 3.9Å; L26-I151 HydrophobicContact CD1-CG2 4.14Å; F27-I151 HydrophobicContact CE1-CB 3.86Å; F27-I151 HydrophobicContact CE1-CG2 4.16Å; F27-I151 HydrophobicContact CZ-CB 3.97Å; F27-I151 HydrophobicContact CZ-CG2 4.02Å; A105-I151 HydrophobicContact CB-CD1 4.47Å; A105-I151 HydrophobicContact CB-CG1 4.05Å; Q108-I151 HydrophobicContact CB-CD1 4.11Å; I109-I151 HydrophobicContact CD1-CD1 3.97Å; I109-I151 HydrophobicContact CG1-CD1 4.45Å; I147-I151 HydrophobicContact CG2-CD1 4.36Å; I147-I151 HydrophobicContact CG2-CG2 4.37Å; I147-I151 WeakPolarHBondContact O-CG1 3.42Å; I147-I151 PolarHBondContact O-N 3.1Å; E148-I151 PolarHBondContact O-N 2.99Å |
| 152 | G | 85.8 | Confident | 89.3 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -122.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | E148 T154 L155 G156 | E148-G152 PolarHBondContact O-N 3.37Å; G152-T154 VanDerWaalsContact C-N 3.26Å; G152-T154 PolarHBondContact O-N 2.78Å; G152-L155 PolarHBondContact O-N 3.36Å; G152-L155 VanDerWaalsContact O-N 3.12Å; G152-G156 PolarHBondContact O-N 3.06Å |
| 153 | T | 82.1 | Confident | 89.8 | Confident | 63 Ų | 63 | 28.9 Ų | 28.9 | 39% | 0.387 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -59.2 | -31.1 | -172.1 | 49.2 | 0 | 0 | 0 | 0 | 114.2 | N102 L155 G156 G157 | N102-T153 VanDerWaalsContact ND2-CG2 3.34Å; N102-T153 WeakPolarHBondContact ND2-CG2 3.15Å; N102-T153 WeakPolarHBondContact OD1-CG2 3.43Å; T153-L155 VanDerWaalsContact C-N 3.35Å; T153-L155 PolarHBondContact O-N 3.11Å; T153-G156 PolarHBondContact O-N 3.32Å; T153-G157 PolarHBondContact O-N 3.38Å |
| 154 | T | 88.1 | Confident | 90.1 | Very high | 22 Ų | 22 | 27.6 Ų | 27.6 | 14% | 0.135 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.3 | -37.9 | 178.5 | -47.2 | 0 | 0 | 0 | 0 | 111.8 | R149 G152 G157 F158 C316 Y319 F320 | R149-T154 WeakPolarHBondContact O-CB 3.47Å; R149-T154 PolarHBondContact O-OG1 3.41Å; G152-T154 VanDerWaalsContact C-N 3.26Å; G152-T154 PolarHBondContact O-N 2.78Å; T154-G157 PolarHBondContact O-N 3.14Å; T154-F158 WeakPolarHBondContact O-CB 3.45Å; T154-F158 PolarHBondContact O-N 2.94Å; T154-C316 HydrophobicContact CG2-CB 3.75Å; T154-Y319 HydrophobicContact CG2-CD2 3.95Å; T154-Y319 HydrophobicContact CG2-CG 4.09Å; T154-F320 HydrophobicContact CG2-CE1 4.17Å |
| 155 | L | 92.2 | Very high | 90.2 | Very high | 14 Ų | 14 | 29.4 Ų | 29.4 | 7% | 0.073 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.4 | -46.9 | 174.9 | 177.6 | 57.5 | 0 | 0 | 0 | 110.9 | F23 F27 L38 G152 T153 G157 F158 I159 F320 | F23-L155 HydrophobicContact CE1-CD1 4.42Å; F23-L155 HydrophobicContact CZ-CD1 3.91Å; F23-L155 HydrophobicContact CZ-CD2 4.29Å; F27-L155 HydrophobicContact CE1-CD2 4.44Å; F27-L155 HydrophobicContact CE2-CD2 4.43Å; F27-L155 HydrophobicContact CZ-CD2 3.64Å; L38-L155 HydrophobicContact CD1-CD2 4.17Å; G152-L155 PolarHBondContact O-N 3.36Å; G152-L155 VanDerWaalsContact O-N 3.12Å; T153-L155 VanDerWaalsContact C-N 3.35Å; T153-L155 PolarHBondContact O-N 3.11Å; L155-G157 VanDerWaalsContact C-N 3.33Å; L155-G157 PolarHBondContact O-N 3.01Å; L155-F158 PolarHBondContact O-N 2.88Å; L155-I159 HydrophobicContact CD1-CD1 3.93Å; L155-I159 HydrophobicContact CD1-CG1 4.21Å; L155-I159 HydrophobicContact CG-CD1 4.06Å; L155-I159 WeakPolarHBondContact O-CG1 3.29Å; L155-I159 PolarHBondContact O-N 2.89Å; L155-F320 HydrophobicContact CB-CE1 4.31Å; L155-F320 HydrophobicContact CD1-CZ 4.26Å |
| 156 | G | 90.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.3 | -43.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G152 T153 I159 K160 | G152-G156 PolarHBondContact O-N 3.06Å; T153-G156 PolarHBondContact O-N 3.32Å; G156-I159 PolarHBondContact O-N 2.86Å; G156-K160 WeakPolarHBondContact O-CB 3.41Å; G156-K160 PolarHBondContact O-N 3.25Å |
| 157 | G | 89.7 | Confident | 90.9 | Very high | 14 Ų | 14 | 29.6 Ų | 29.6 | 14% | 0.144 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.9 | -44.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T153 T154 L155 I159 K160 Y161 | T153-G157 PolarHBondContact O-N 3.38Å; T154-G157 PolarHBondContact O-N 3.14Å; L155-G157 VanDerWaalsContact C-N 3.33Å; L155-G157 PolarHBondContact O-N 3.01Å; G157-I159 PolarHBondContact O-N 3.09Å; G157-K160 WeakPolarHBondContact O-CB 3.2Å; G157-K160 PolarHBondContact O-N 3.18Å; G157-Y161 WeakPolarHBondContact O-CD2 3.32Å; G157-Y161 VanDerWaalsContact O-CG 3.26Å; G157-Y161 PolarHBondContact O-N 3.05Å |
| 158 | F | 93.2 | Very high | 90.9 | Very high | 43 Ų | 43 | 29.6 Ų | 29.6 | 19% | 0.189 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.5 | -49 | 176.9 | 175.4 | -100.5 | 0 | 0 | 0 | 111.8 | T154 L155 K160 Y161 I162 A313 C316 F317 F320 | T154-F158 WeakPolarHBondContact O-CB 3.45Å; T154-F158 PolarHBondContact O-N 2.94Å; L155-F158 PolarHBondContact O-N 2.88Å; F158-K160 VanDerWaalsContact C-N 3.35Å; F158-K160 PolarHBondContact O-N 2.89Å; F158-Y161 PolarHBondContact O-N 2.97Å; F158-I162 HydrophobicContact CD2-CG1 4.24Å; F158-I162 HydrophobicContact CE1-CG1 4.16Å; F158-I162 HydrophobicContact CE2-CD1 4.24Å; F158-I162 HydrophobicContact CE2-CG1 3.84Å; F158-I162 HydrophobicContact CZ-CD1 4.38Å; F158-I162 HydrophobicContact CZ-CG1 3.79Å; F158-I162 WeakPolarHBondContact O-CG1 3.41Å; F158-I162 PolarHBondContact O-N 3.4Å; F158-A313 HydrophobicContact CD2-CB 4.09Å; F158-A313 HydrophobicContact CE2-CB 4.31Å; F158-C316 HydrophobicContact CB-CB 4.05Å; F158-C316 HydrophobicContact CD2-CB 3.96Å; F158-C316 HydrophobicContact CG-CB 4.39Å; F158-F317 AromaticContact CE2-CE2 3.85Å; F158-F317 HydrophobicContact CE2-CE2 3.85Å; F158-F317 HydrophobicContact CE2-CZ 4.07Å; F158-F317 HydrophobicContact CZ-CE2 4.36Å; F158-F317 HydrophobicContact CZ-CZ 4.12Å; F158-F320 HydrophobicContact CB-CE2 4.29Å; F158-F320 HydrophobicContact CB-CZ 3.86Å; F158-F320 HydrophobicContact CD1-CE2 4.23Å; F158-F320 HydrophobicContact CD1-CZ 4.37Å; F158-F320 HydrophobicContact CD2-CE2 4.21Å; F158-F320 AromaticContact CG-CE2 3.98Å; F158-F320 HydrophobicContact CG-CE2 3.98Å; F158-F320 HydrophobicContact CG-CZ 4.03Å |
| 159 | I | 94.4 | Very high | 91 | Very high | 34 Ų | 34 | 30.3 Ų | 30.3 | 17% | 0.174 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.8 | -43.7 | 177.9 | -65.1 | 169.5 | 0 | 0 | 0 | 110.6 | C42 A45 V46 L155 G156 G157 Y161 I162 S163 | C42-I159 HydrophobicContact CB-CD1 4.07Å; C42-I159 WeakPolarHBondContact SG-CD1 3.43Å; A45-I159 HydrophobicContact CB-CB 4.07Å; A45-I159 HydrophobicContact CB-CG2 3.85Å; V46-I159 HydrophobicContact CG2-CG2 3.6Å; L155-I159 HydrophobicContact CD1-CD1 3.93Å; L155-I159 HydrophobicContact CD1-CG1 4.21Å; L155-I159 HydrophobicContact CG-CD1 4.06Å; L155-I159 WeakPolarHBondContact O-CG1 3.29Å; L155-I159 PolarHBondContact O-N 2.89Å; G156-I159 PolarHBondContact O-N 2.86Å; G157-I159 PolarHBondContact O-N 3.09Å; I159-Y161 PolarHBondContact O-N 3.38Å; I159-I162 PolarHBondContact O-N 3.22Å; I159-S163 WeakPolarHBondContact O-CB 3.44Å; I159-S163 PolarHBondContact O-N 3.38Å |
| 160 | K | 93.4 | Very high | 91.4 | Very high | 22 Ų | 22 | 29.8 Ų | 29.8 | 10% | 0.096 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -55.1 | -50.9 | 175.5 | -178.9 | 177.6 | 80.9 | 170.6 | 0 | 111.6 | A45 V48 G49 G156 G157 F158 G164 Y914 E918 | A45-K160 WeakPolarHBondContact O-CA 3.31Å; V48-K160 HydrophobicContact CB-CD 4.42Å; V48-K160 HydrophobicContact CG1-CD 3.67Å; V48-K160 HydrophobicContact CG1-CG 4.24Å; G49-K160 VanDerWaalsContact CA-O 3.3Å; G49-K160 WeakPolarHBondContact CA-O 3.2Å; G156-K160 WeakPolarHBondContact O-CB 3.41Å; G156-K160 PolarHBondContact O-N 3.25Å; G157-K160 WeakPolarHBondContact O-CB 3.2Å; G157-K160 PolarHBondContact O-N 3.18Å; F158-K160 VanDerWaalsContact C-N 3.35Å; F158-K160 PolarHBondContact O-N 2.89Å; K160-G164 PolarHBondContact O-N 3.33Å; K160-Y914 PolarHBondContact NZ-OH 2.87Å; K160-E918 IonicContact NZ-OE1 3.54Å; K160-E918 PolarHBondContact NZ-OE1 3.41Å |
| 161 | Y | 92.9 | Very high | 91.7 | Very high | 56 Ų | 56 | 30.7 Ų | 30.7 | 22% | 0.22 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.4 | -45 | -177.1 | -63.6 | -44.7 | 0 | 0 | 0 | 112.6 | G157 F158 I159 G164 F165 F309 N312 | G157-Y161 WeakPolarHBondContact O-CD2 3.32Å; G157-Y161 VanDerWaalsContact O-CG 3.26Å; G157-Y161 PolarHBondContact O-N 3.05Å; F158-Y161 PolarHBondContact O-N 2.97Å; I159-Y161 PolarHBondContact O-N 3.38Å; Y161-G164 PolarHBondContact O-N 2.89Å; Y161-F165 WeakPolarHBondContact O-CB 3.41Å; Y161-F165 PolarHBondContact O-N 3.29Å; Y161-F309 WeakPolarHBondContact CB-O 3.26Å; Y161-F309 HydrophobicContact CD1-CB 4.48Å; Y161-F309 AromaticContact CD1-CD1 3.66Å; Y161-F309 HydrophobicContact CD1-CD1 3.66Å; Y161-F309 HydrophobicContact CD1-CE1 4.24Å; Y161-F309 HydrophobicContact CD1-CG 4.33Å; Y161-F309 HydrophobicContact CE1-CD1 4.3Å; Y161-F309 WeakPolarHBondContact O-CB 3.2Å; Y161-N312 HydrophobicContact CD1-CB 4.26Å; Y161-N312 HydrophobicContact CD2-CB 3.86Å; Y161-N312 HydrophobicContact CE1-CB 4.12Å; Y161-N312 HydrophobicContact CE2-CB 3.72Å; Y161-N312 HydrophobicContact CG-CB 4.16Å |
| 162 | I | 93.5 | Very high | 91.8 | Very high | 49 Ų | 49 | 30.6 Ų | 30.6 | 25% | 0.251 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -64.9 | -41.8 | 177.5 | -66.3 | -62.8 | 0 | 0 | 0 | 111 | F158 I159 F165 I166 A313 | F158-I162 HydrophobicContact CD2-CG1 4.24Å; F158-I162 HydrophobicContact CE1-CG1 4.16Å; F158-I162 HydrophobicContact CE2-CD1 4.24Å; F158-I162 HydrophobicContact CE2-CG1 3.84Å; F158-I162 HydrophobicContact CZ-CD1 4.38Å; F158-I162 HydrophobicContact CZ-CG1 3.79Å; F158-I162 WeakPolarHBondContact O-CG1 3.41Å; F158-I162 PolarHBondContact O-N 3.4Å; I159-I162 PolarHBondContact O-N 3.22Å; I162-F165 PolarHBondContact O-N 3.34Å; I162-I166 HydrophobicContact CG2-CD1 3.63Å; I162-I166 HydrophobicContact CG2-CG1 4.34Å; I162-I166 VanDerWaalsContact O-CG1 3.29Å; I162-I166 WeakPolarHBondContact O-CG1 3.22Å; I162-I166 PolarHBondContact O-N 3.06Å; I162-A313 HydrophobicContact CD1-CB 3.96Å; I162-A313 HydrophobicContact CG1-CB 4.28Å |
| 163 | S | 94.5 | Very high | 92.1 | Very high | 11 Ų | 11 | 34.7 Ų | 34.7 | 8% | 0.077 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.7 | -48.2 | 176 | 175.1 | 0 | 0 | 0 | 0 | 111.9 | V46 I159 F165 I166 V167 | V46-S163 WeakPolarHBondContact CG1-OG 3.17Å; V46-S163 PolarHBondContact O-OG 2.91Å; I159-S163 WeakPolarHBondContact O-CB 3.44Å; I159-S163 PolarHBondContact O-N 3.38Å; S163-F165 VanDerWaalsContact C-N 3.29Å; S163-F165 PolarHBondContact O-N 3.23Å; S163-I166 PolarHBondContact O-N 3.12Å; S163-V167 WeakPolarHBondContact O-CB 3.47Å; S163-V167 VanDerWaalsContact O-CG2 3.29Å; S163-V167 WeakPolarHBondContact O-CG2 3.39Å; S163-V167 PolarHBondContact O-N 2.73Å |
| 164 | G | 93.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.8 | -36.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | G49 P53 K160 Y161 G168 | G49-G164 WeakPolarHBondContact O-CA 3.49Å; P53-G164 VanDerWaalsContact CG-O 3.24Å; P53-G164 WeakPolarHBondContact CG-O 3.44Å; K160-G164 PolarHBondContact O-N 3.33Å; Y161-G164 PolarHBondContact O-N 2.89Å; G164-G168 PolarHBondContact O-N 3.44Å |
| 165 | F | 92.2 | Very high | 92.7 | Very high | 38 Ų | 38 | 36.4 Ų | 36.4 | 17% | 0.167 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64 | -52 | 174.2 | 172.6 | -107.1 | 0 | 0 | 0 | 111.9 | Y161 I162 S163 G168 I169 L187 G306 F309 L310 | Y161-F165 WeakPolarHBondContact O-CB 3.41Å; Y161-F165 PolarHBondContact O-N 3.29Å; I162-F165 PolarHBondContact O-N 3.34Å; S163-F165 VanDerWaalsContact C-N 3.29Å; S163-F165 PolarHBondContact O-N 3.23Å; F165-G168 PolarHBondContact O-N 2.93Å; F165-I169 HydrophobicContact CD1-CD1 4.36Å; F165-I169 HydrophobicContact CD2-CD1 4Å; F165-I169 HydrophobicContact CE1-CD1 3.8Å; F165-I169 HydrophobicContact CE2-CD1 3.4Å; F165-I169 VanDerWaalsContact CE2-CD1 3.4Å; F165-I169 HydrophobicContact CE2-CG1 4.36Å; F165-I169 HydrophobicContact CG-CD1 4.46Å; F165-I169 HydrophobicContact CZ-CD1 3.28Å; F165-I169 WeakPolarHBondContact O-CG1 3.35Å; F165-I169 PolarHBondContact O-N 3.44Å; F165-L187 HydrophobicContact CE2-CD1 4.15Å; F165-L187 HydrophobicContact CE2-CD2 4.33Å; F165-L187 HydrophobicContact CZ-CD1 4.35Å; F165-G306 VanDerWaalsContact CD2-O 3.29Å; F165-G306 WeakPolarHBondContact CD2-O 3.44Å; F165-F309 HydrophobicContact CB-CB 4.32Å; F165-L310 HydrophobicContact CD2-CB 4.48Å |
| 166 | I | 93.3 | Very high | 92.5 | Very high | 83 Ų | 83 | 35.9 Ų | 35.9 | 43% | 0.426 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.9 | -49.8 | -177.8 | -66.4 | 169.5 | 0 | 0 | 0 | 110.5 | I162 S163 G168 I169 I170 | I162-I166 HydrophobicContact CG2-CD1 3.63Å; I162-I166 HydrophobicContact CG2-CG1 4.34Å; I162-I166 VanDerWaalsContact O-CG1 3.29Å; I162-I166 WeakPolarHBondContact O-CG1 3.22Å; I162-I166 PolarHBondContact O-N 3.06Å; S163-I166 PolarHBondContact O-N 3.12Å; I166-G168 VanDerWaalsContact C-N 3.33Å; I166-G168 PolarHBondContact O-N 3.05Å; I166-I169 PolarHBondContact O-N 3.24Å; I166-I170 HydrophobicContact CG2-CD1 3.67Å; I166-I170 HydrophobicContact CG2-CG1 4.38Å; I166-I170 VanDerWaalsContact O-CG1 3.28Å; I166-I170 WeakPolarHBondContact O-CG1 3.46Å; I166-I170 PolarHBondContact O-N 2.72Å |
| 167 | V | 94.2 | Very high | 92.6 | Very high | 35 Ų | 35 | 43.1 Ų | 43.1 | 21% | 0.212 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.3 | -40.4 | 179.9 | 176.2 | 0 | 0 | 0 | 0 | 110.8 | A50 P53 S163 I169 I170 I171 | A50-V167 HydrophobicContact CB-CB 4.36Å; A50-V167 HydrophobicContact CB-CG1 4.11Å; A50-V167 HydrophobicContact CB-CG2 3.96Å; P53-V167 HydrophobicContact CB-CG1 3.99Å; P53-V167 HydrophobicContact CG-CB 4.29Å; P53-V167 HydrophobicContact CG-CG1 4.23Å; S163-V167 WeakPolarHBondContact O-CB 3.47Å; S163-V167 VanDerWaalsContact O-CG2 3.29Å; S163-V167 WeakPolarHBondContact O-CG2 3.39Å; S163-V167 PolarHBondContact O-N 2.73Å; V167-I169 VanDerWaalsContact C-N 3.34Å; V167-I169 PolarHBondContact O-N 3.49Å; V167-I170 PolarHBondContact O-N 2.9Å; V167-I171 HydrophobicContact CG1-CD1 3.7Å; V167-I171 HydrophobicContact CG1-CG1 4.21Å; V167-I171 WeakPolarHBondContact O-CB 3.15Å; V167-I171 VanDerWaalsContact O-CG1 3.3Å; V167-I171 WeakPolarHBondContact O-CG1 3.42Å; V167-I171 PolarHBondContact O-N 2.69Å |
| 168 | G | 92.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.1 | -42.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | G164 F165 I166 S172 | G164-G168 PolarHBondContact O-N 3.44Å; F165-G168 PolarHBondContact O-N 2.93Å; I166-G168 VanDerWaalsContact C-N 3.33Å; I166-G168 PolarHBondContact O-N 3.05Å; G168-S172 WeakPolarHBondContact O-CB 3.37Å; G168-S172 PolarHBondContact O-N 3.34Å; G168-S172 PolarHBondContact O-OG 3.03Å |
| 169 | I | 91.5 | Very high | 92.7 | Very high | 32 Ų | 32 | 43.2 Ų | 43.2 | 16% | 0.164 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.7 | -45.2 | 175.8 | -72.7 | 179.2 | 0 | 0 | 0 | 111.1 | F165 I166 V167 I171 S172 F173 L187 | F165-I169 HydrophobicContact CD1-CD1 4.36Å; F165-I169 HydrophobicContact CD2-CD1 4Å; F165-I169 HydrophobicContact CE1-CD1 3.8Å; F165-I169 HydrophobicContact CE2-CD1 3.4Å; F165-I169 VanDerWaalsContact CE2-CD1 3.4Å; F165-I169 HydrophobicContact CE2-CG1 4.36Å; F165-I169 HydrophobicContact CG-CD1 4.46Å; F165-I169 HydrophobicContact CZ-CD1 3.28Å; F165-I169 WeakPolarHBondContact O-CG1 3.35Å; F165-I169 PolarHBondContact O-N 3.44Å; I166-I169 PolarHBondContact O-N 3.24Å; V167-I169 VanDerWaalsContact C-N 3.34Å; V167-I169 PolarHBondContact O-N 3.49Å; I169-I171 PolarHBondContact O-N 3.36Å; I169-S172 PolarHBondContact O-N 2.98Å; I169-S172 VanDerWaalsContact O-N 3.14Å; I169-F173 HydrophobicContact CG2-CD2 3.51Å; I169-F173 HydrophobicContact CG2-CE2 3.57Å; I169-F173 WeakPolarHBondContact O-CD2 3.21Å; I169-F173 PolarHBondContact O-N 3.26Å; I169-L187 HydrophobicContact CD1-CD1 4.03Å |
| 170 | I | 93.7 | Very high | 92.6 | Very high | 104 Ų | 104 | 41.6 Ų | 41.6 | 53% | 0.533 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -58.8 | -48.5 | 179.1 | -68.3 | 167.8 | 0 | 0 | 0 | 111 | I166 V167 S172 F173 S174 | I166-I170 HydrophobicContact CG2-CD1 3.67Å; I166-I170 HydrophobicContact CG2-CG1 4.38Å; I166-I170 VanDerWaalsContact O-CG1 3.28Å; I166-I170 WeakPolarHBondContact O-CG1 3.46Å; I166-I170 PolarHBondContact O-N 2.72Å; V167-I170 PolarHBondContact O-N 2.9Å; I170-S172 VanDerWaalsContact C-N 3.27Å; I170-S172 PolarHBondContact O-N 3.39Å; I170-F173 PolarHBondContact O-N 2.73Å; I170-S174 PolarHBondContact O-N 3.2Å |
| 171 | I | 93.5 | Very high | 92.5 | Very high | 19 Ų | 19 | 45.6 Ų | 45.6 | 10% | 0.097 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.2 | -35.9 | 177.8 | -65.5 | 175.4 | 0 | 0 | 0 | 110.8 | P53 L54 F57 V167 I169 S174 V175 L298 | P53-I171 HydrophobicContact CB-CD1 3.77Å; L54-I171 HydrophobicContact CD2-CD1 4.17Å; F57-I171 HydrophobicContact CB-CG2 4.27Å; F57-I171 HydrophobicContact CD2-CG2 3.73Å; F57-I171 HydrophobicContact CG-CG2 4.41Å; V167-I171 HydrophobicContact CG1-CD1 3.7Å; V167-I171 HydrophobicContact CG1-CG1 4.21Å; V167-I171 WeakPolarHBondContact O-CB 3.15Å; V167-I171 VanDerWaalsContact O-CG1 3.3Å; V167-I171 WeakPolarHBondContact O-CG1 3.42Å; V167-I171 PolarHBondContact O-N 2.69Å; I169-I171 PolarHBondContact O-N 3.36Å; I171-S174 PolarHBondContact O-OG 3.27Å; I171-V175 WeakPolarHBondContact O-CG2 3.3Å; I171-V175 PolarHBondContact O-N 3.45Å; I171-L298 HydrophobicContact CG2-CD1 4.09Å; I171-L298 HydrophobicContact CG2-CD2 4.15Å |
| 172 | S | 92.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.1 | -45.2 | 178.3 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | G168 I169 I170 S174 V175 G176 T180 N302 | G168-S172 WeakPolarHBondContact O-CB 3.37Å; G168-S172 PolarHBondContact O-N 3.34Å; G168-S172 PolarHBondContact O-OG 3.03Å; I169-S172 PolarHBondContact O-N 2.98Å; I169-S172 VanDerWaalsContact O-N 3.14Å; I170-S172 VanDerWaalsContact C-N 3.27Å; I170-S172 PolarHBondContact O-N 3.39Å; S172-S174 VanDerWaalsContact C-N 3.34Å; S172-S174 PolarHBondContact O-N 3.47Å; S172-V175 PolarHBondContact O-N 3.24Å; S172-G176 PolarHBondContact O-N 3.13Å; S172-T180 WeakPolarHBondContact CB-OG1 3.34Å; S172-T180 PolarHBondContact O-OG1 3.2Å; S172-N302 VanDerWaalsContact OG-CB 3.27Å; S172-N302 WeakPolarHBondContact OG-CB 3.42Å |
| 173 | F | 93.4 | Very high | 92.2 | Very high | 87 Ų | 87 | 42.1 Ų | 42.1 | 38% | 0.382 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.9 | -35.7 | 176.9 | -89.2 | -73 | 0 | 0 | 0 | 113.1 | I169 I170 V175 W177 T180 | I169-F173 HydrophobicContact CG2-CD2 3.51Å; I169-F173 HydrophobicContact CG2-CE2 3.57Å; I169-F173 WeakPolarHBondContact O-CD2 3.21Å; I169-F173 PolarHBondContact O-N 3.26Å; I170-F173 PolarHBondContact O-N 2.73Å; F173-V175 VanDerWaalsContact C-N 3.33Å; F173-W177 HydrophobicContact CD1-CB 4.01Å; F173-T180 HydrophobicContact CD1-CG2 4.11Å; F173-T180 HydrophobicContact CD2-CG2 3.62Å; F173-T180 HydrophobicContact CE1-CG2 4.13Å; F173-T180 HydrophobicContact CE2-CG2 3.66Å; F173-T180 HydrophobicContact CG-CG2 3.85Å; F173-T180 HydrophobicContact CZ-CG2 3.91Å |
| 174 | S | 92.2 | Very high | 91.9 | Very high | 92 Ų | 92 | 42.9 Ų | 42.9 | 64% | 0.643 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -71.1 | -28.5 | 178.1 | 69.8 | 0 | 0 | 0 | 0 | 113.2 | I170 I171 S172 | I170-S174 PolarHBondContact O-N 3.2Å; I171-S174 PolarHBondContact O-OG 3.27Å; S172-S174 VanDerWaalsContact C-N 3.34Å; S172-S174 PolarHBondContact O-N 3.47Å |
| 175 | V | 89.4 | Confident | 91.7 | Very high | 29 Ų | 29 | 46 Ų | 46 | 18% | 0.176 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -87 | -36.2 | 179.8 | 171.4 | 0 | 0 | 0 | 0 | 112.3 | F57 K60 I171 S172 F173 S295 L298 | F57-V175 HydrophobicContact CD2-CG2 4.43Å; F57-V175 HydrophobicContact CE2-CG2 4.14Å; K60-V175 HydrophobicContact CD-CG1 4.29Å; I171-V175 WeakPolarHBondContact O-CG2 3.3Å; I171-V175 PolarHBondContact O-N 3.45Å; S172-V175 PolarHBondContact O-N 3.24Å; F173-V175 VanDerWaalsContact C-N 3.33Å; V175-S295 VanDerWaalsContact CG1-CB 3.44Å; V175-S295 VanDerWaalsContact CG1-OG 3.29Å; V175-S295 WeakPolarHBondContact CG1-OG 3.49Å; V175-L298 HydrophobicContact CB-CD2 4.31Å; V175-L298 HydrophobicContact CG1-CD2 4.5Å; V175-L298 HydrophobicContact CG2-CD1 4.22Å; V175-L298 HydrophobicContact CG2-CD2 4.33Å |
| 176 | G | 89 | Confident | 91.3 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 4% | 0.041 | 25% | 0.249 | C | C | . | . | trans | -169.4 | 94 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S172 K178 T180 I299 | S172-G176 PolarHBondContact O-N 3.13Å; G176-K178 PolarHBondContact O-N 3.39Å; G176-T180 VanDerWaalsContact O-CB 3.31Å; G176-T180 WeakPolarHBondContact O-CB 3.38Å; G176-T180 PolarHBondContact O-N 3.33Å; G176-T180 VanDerWaalsContact O-N 3.12Å; G176-T180 PolarHBondContact O-OG1 2.83Å; G176-I299 WeakPolarHBondContact O-CD1 3.49Å | ||
| 177 | W | 92 | Very high | 90.9 | Very high | 152 Ų | 152 | 43.6 Ų | 43.6 | 58% | 0.576 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -66.8 | -34.7 | -173.8 | 72.4 | -92.8 | 0 | 0 | 0 | 113.5 | F173 T180 L181 | F173-W177 HydrophobicContact CD1-CB 4.01Å; W177-T180 PolarHBondContact O-N 3.36Å; W177-L181 WeakPolarHBondContact O-CB 3.24Å; W177-L181 PolarHBondContact O-N 3.5Å |
| 178 | K | 93.5 | Very high | 90.5 | Very high | 58 Ų | 58 | 46.1 Ų | 46.1 | 25% | 0.252 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.3 | -50.8 | -178.1 | -69 | -179.4 | -179.5 | 168.2 | 0 | 112.1 | G176 T180 L181 V182 L285 E289 | G176-K178 PolarHBondContact O-N 3.39Å; K178-T180 VanDerWaalsContact C-N 3.34Å; K178-L181 PolarHBondContact O-N 3.12Å; K178-V182 PolarHBondContact O-N 3.05Å; K178-L285 HydrophobicContact CB-CD1 4.24Å; K178-L285 HydrophobicContact CD-CD2 4.29Å; K178-E289 WeakPolarHBondContact CD-OE1 3.49Å; K178-E289 VanDerWaalsContact CD-OE2 3.29Å; K178-E289 WeakPolarHBondContact CD-OE2 3.48Å; K178-E289 WeakPolarHBondContact CE-OE2 3.42Å; K178-E289 IonicContact NZ-OE1 2.57Å; K178-E289 PolarHBondContact NZ-OE1 3.42Å; K178-E289 IonicContact NZ-OE2 2.74Å; K178-E289 PolarHBondContact NZ-OE2 2.93Å |
| 179 | L | 91.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.9 | -38.2 | 177.5 | -175.4 | 61.4 | 0 | 0 | 0 | 111.3 | L181 V182 A183 I278 Y281 L285 Y291 V296 I299 | L179-L181 VanDerWaalsContact C-N 3.31Å; L179-L181 PolarHBondContact O-N 3.36Å; L179-V182 PolarHBondContact O-N 2.85Å; L179-A183 WeakPolarHBondContact O-CB 3.36Å; L179-A183 PolarHBondContact O-N 3.26Å; L179-I278 HydrophobicContact CD1-CG2 4.14Å; L179-I278 HydrophobicContact CD2-CG2 4.49Å; L179-I278 HydrophobicContact CG-CG2 4.46Å; L179-Y281 HydrophobicContact CD1-CD1 3.77Å; L179-L285 HydrophobicContact CB-CD1 3.81Å; L179-L285 HydrophobicContact CD1-CD1 4.42Å; L179-Y291 HydrophobicContact CB-CE1 4.43Å; L179-V296 HydrophobicContact CD2-CB 4.21Å; L179-V296 HydrophobicContact CD2-CG1 4Å; L179-V296 HydrophobicContact CD2-CG2 4.19Å; L179-I299 HydrophobicContact CB-CD1 4Å; L179-I299 HydrophobicContact CB-CG2 4.39Å; L179-I299 HydrophobicContact CD2-CB 4.1Å; L179-I299 HydrophobicContact CD2-CD1 4.02Å; L179-I299 HydrophobicContact CD2-CG2 4.15Å; L179-I299 HydrophobicContact CG-CB 4.41Å; L179-I299 HydrophobicContact CG-CD1 4.31Å; L179-I299 HydrophobicContact CG-CG2 3.92Å |
| 180 | T | 92 | Very high | 89.8 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.6 | -37.9 | 176.8 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | S172 F173 G176 W177 K178 A183 C184 | S172-T180 WeakPolarHBondContact CB-OG1 3.34Å; S172-T180 PolarHBondContact O-OG1 3.2Å; F173-T180 HydrophobicContact CD1-CG2 4.11Å; F173-T180 HydrophobicContact CD2-CG2 3.62Å; F173-T180 HydrophobicContact CE1-CG2 4.13Å; F173-T180 HydrophobicContact CE2-CG2 3.66Å; F173-T180 HydrophobicContact CG-CG2 3.85Å; F173-T180 HydrophobicContact CZ-CG2 3.91Å; G176-T180 VanDerWaalsContact O-CB 3.31Å; G176-T180 WeakPolarHBondContact O-CB 3.38Å; G176-T180 PolarHBondContact O-N 3.33Å; G176-T180 VanDerWaalsContact O-N 3.12Å; G176-T180 PolarHBondContact O-OG1 2.83Å; W177-T180 PolarHBondContact O-N 3.36Å; K178-T180 VanDerWaalsContact C-N 3.34Å; T180-A183 PolarHBondContact O-N 2.96Å; T180-C184 VanDerWaalsContact O-CB 3.27Å; T180-C184 WeakPolarHBondContact O-CB 3.37Å; T180-C184 PolarHBondContact O-N 2.97Å; T180-C184 PolarHBondContact O-SG 2.84Å |
| 181 | L | 91.7 | Very high | 89.2 | Confident | 106 Ų | 106 | 45 Ų | 45 | 56% | 0.555 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -63.6 | -42.2 | 177.3 | -162.3 | 122.7 | 0 | 0 | 0 | 111.9 | W177 K178 L179 C184 A185 | W177-L181 WeakPolarHBondContact O-CB 3.24Å; W177-L181 PolarHBondContact O-N 3.5Å; K178-L181 PolarHBondContact O-N 3.12Å; L179-L181 VanDerWaalsContact C-N 3.31Å; L179-L181 PolarHBondContact O-N 3.36Å; L181-C184 PolarHBondContact O-N 3.43Å; L181-A185 PolarHBondContact O-N 2.89Å |
| 182 | V | 91.2 | Very high | 88.8 | Confident | 32 Ų | 32 | 47.1 Ų | 47.1 | 19% | 0.194 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 174 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | K178 L179 A185 L277 Y281 | K178-V182 PolarHBondContact O-N 3.05Å; L179-V182 PolarHBondContact O-N 2.85Å; V182-A185 WeakPolarHBondContact O-CB 3.47Å; V182-A185 PolarHBondContact O-N 3.28Å; V182-L277 HydrophobicContact CG1-CD2 3.92Å; V182-L277 HydrophobicContact CG1-CG 4.12Å; V182-Y281 HydrophobicContact CB-CD1 4.19Å; V182-Y281 HydrophobicContact CB-CE1 4.44Å; V182-Y281 HydrophobicContact CG1-CD1 4.39Å; V182-Y281 HydrophobicContact CG2-CD1 3.7Å; V182-Y281 HydrophobicContact CG2-CE1 3.55Å; V182-Y281 HydrophobicContact CG2-CG 4.43Å |
| 183 | A | 88.6 | Confident | 88.4 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.2 | -40.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L179 T180 A185 M186 I278 I299 V303 | L179-A183 WeakPolarHBondContact O-CB 3.36Å; L179-A183 PolarHBondContact O-N 3.26Å; T180-A183 PolarHBondContact O-N 2.96Å; A183-A185 VanDerWaalsContact C-N 3.28Å; A183-A185 PolarHBondContact O-N 2.88Å; A183-M186 WeakPolarHBondContact O-CB 3.48Å; A183-M186 PolarHBondContact O-N 3.3Å; A183-M186 VanDerWaalsContact O-N 3.13Å; A183-I278 HydrophobicContact CB-CD1 3.77Å; A183-I278 HydrophobicContact CB-CG1 3.95Å; A183-I299 HydrophobicContact CB-CG2 4.27Å; A183-V303 HydrophobicContact CB-CB 4.01Å; A183-V303 HydrophobicContact CB-CG1 3.83Å; A183-V303 HydrophobicContact CB-CG2 3.65Å |
| 184 | C | 88.5 | Confident | 87.8 | Confident | 28 Ų | 28 | 46.8 Ų | 46.8 | 19% | 0.189 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64 | -29.9 | 174.2 | -78.2 | 0 | 0 | 0 | 0 | 112.7 | T180 L181 M186 L187 P188 | T180-C184 VanDerWaalsContact O-CB 3.27Å; T180-C184 WeakPolarHBondContact O-CB 3.37Å; T180-C184 PolarHBondContact O-N 2.97Å; T180-C184 PolarHBondContact O-SG 2.84Å; L181-C184 PolarHBondContact O-N 3.43Å; C184-M186 PolarHBondContact O-N 3.05Å; C184-M186 VanDerWaalsContact O-N 3.15Å; C184-L187 HydrophobicContact CB-CD1 4.23Å; C184-L187 WeakPolarHBondContact O-CB 3.47Å; C184-L187 PolarHBondContact O-N 3.38Å; C184-P188 VanDerWaalsContact O-CD 3.31Å; C184-P188 WeakPolarHBondContact O-CD 3.49Å |
| 185 | A | 88.5 | Confident | 87.2 | Confident | 65 Ų | 65 | 44.3 Ų | 44.3 | 54% | 0.537 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -21.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | L181 V182 A183 | L181-A185 PolarHBondContact O-N 2.89Å; V182-A185 WeakPolarHBondContact O-CB 3.47Å; V182-A185 PolarHBondContact O-N 3.28Å; A183-A185 VanDerWaalsContact C-N 3.28Å; A183-A185 PolarHBondContact O-N 2.88Å |
| 186 | M | 85.4 | Confident | 87 | Confident | 48 Ų | 48 | 45.7 Ų | 45.7 | 24% | 0.236 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -17.2 | 174.9 | -68.6 | -64.7 | 173 | 0 | 0 | 113.9 | A183 C184 V189 V190 L277 | A183-M186 WeakPolarHBondContact O-CB 3.48Å; A183-M186 PolarHBondContact O-N 3.3Å; A183-M186 VanDerWaalsContact O-N 3.13Å; C184-M186 PolarHBondContact O-N 3.05Å; C184-M186 VanDerWaalsContact O-N 3.15Å; M186-V189 WeakPolarHBondContact O-CB 3.21Å; M186-V189 PolarHBondContact O-N 2.71Å; M186-V189 VanDerWaalsContact O-N 3.16Å; M186-V190 WeakPolarHBondContact O-CG2 2.97Å; M186-V190 PolarHBondContact O-N 2.91Å; M186-L277 HydrophobicContact CE-CD2 3.23Å |
| 187 | L | 83.4 | Confident | 86.7 | Confident | 23 Ų | 23 | 48.7 Ų | 48.7 | 12% | 0.12 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59 | -44.9 | -179.7 | -68.6 | 172.1 | 0 | 0 | 0 | 113 | F165 I169 C184 V189 V190 A191 V303 S307 | F165-L187 HydrophobicContact CE2-CD1 4.15Å; F165-L187 HydrophobicContact CE2-CD2 4.33Å; F165-L187 HydrophobicContact CZ-CD1 4.35Å; I169-L187 HydrophobicContact CD1-CD1 4.03Å; C184-L187 HydrophobicContact CB-CD1 4.23Å; C184-L187 WeakPolarHBondContact O-CB 3.47Å; C184-L187 PolarHBondContact O-N 3.38Å; L187-V189 VanDerWaalsContact C-N 3.28Å; L187-V189 PolarHBondContact O-N 2.92Å; L187-V190 PolarHBondContact O-N 3.25Å; L187-A191 VanDerWaalsContact O-CB 3.31Å; L187-A191 WeakPolarHBondContact O-CB 3.28Å; L187-A191 PolarHBondContact O-N 3.14Å; L187-V303 HydrophobicContact CD2-CG1 4.24Å; L187-V303 HydrophobicContact CG-CG1 4.5Å; L187-S307 VanDerWaalsContact CD2-OG 3.24Å; L187-S307 WeakPolarHBondContact CD2-OG 3.35Å |
| 188 | P | 85.7 | Confident | 86 | Confident | 88 Ų | 88 | 43.4 Ų | 43.4 | 57% | 0.571 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -60.6 | -36.2 | 175.8 | -24.3 | 34.8 | 0 | 0 | 0 | 113 | C184 A191 A192 | C184-P188 VanDerWaalsContact O-CD 3.31Å; C184-P188 WeakPolarHBondContact O-CD 3.49Å; P188-A191 PolarHBondContact O-N 2.94Å; P188-A192 VanDerWaalsContact O-CB 3.28Å; P188-A192 WeakPolarHBondContact O-CB 3.39Å; P188-A192 PolarHBondContact O-N 3.49Å |
| 189 | V | 87.2 | Confident | 85.6 | Confident | 68 Ų | 68 | 47.6 Ų | 47.6 | 41% | 0.412 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.9 | -49.5 | 177.8 | -176.9 | 0 | 0 | 0 | 0 | 109.7 | M186 L187 A191 A192 V193 T270 | M186-V189 WeakPolarHBondContact O-CB 3.21Å; M186-V189 PolarHBondContact O-N 2.71Å; M186-V189 VanDerWaalsContact O-N 3.16Å; L187-V189 VanDerWaalsContact C-N 3.28Å; L187-V189 PolarHBondContact O-N 2.92Å; V189-A191 VanDerWaalsContact C-N 3.34Å; V189-A191 PolarHBondContact O-N 3.39Å; V189-A192 WeakPolarHBondContact O-CB 3.42Å; V189-A192 PolarHBondContact O-N 3.25Å; V189-V193 WeakPolarHBondContact O-CG2 3.28Å; V189-V193 PolarHBondContact O-N 3.11Å; V189-T270 HydrophobicContact CB-CG2 4.4Å; V189-T270 HydrophobicContact CG1-CG2 3.8Å |
| 190 | V | 82.2 | Confident | 85.3 | Confident | 11 Ų | 11 | 49.1 Ų | 49.1 | 7% | 0.067 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.9 | -46.2 | 177.1 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | M186 L187 A192 V193 F194 T270 | M186-V190 WeakPolarHBondContact O-CG2 2.97Å; M186-V190 PolarHBondContact O-N 2.91Å; L187-V190 PolarHBondContact O-N 3.25Å; V190-A192 VanDerWaalsContact C-N 3.32Å; V190-A192 PolarHBondContact O-N 3.07Å; V190-V193 PolarHBondContact O-N 3.25Å; V190-F194 HydrophobicContact CG1-CD2 3.58Å; V190-F194 HydrophobicContact CG1-CE2 3.57Å; V190-F194 WeakPolarHBondContact O-CD2 3.43Å; V190-F194 PolarHBondContact O-N 2.98Å; V190-T270 HydrophobicContact CG2-CG2 3.56Å |
| 191 | A | 81 | Confident | 84.7 | Confident | 36 Ų | 36 | 51.8 Ų | 51.8 | 30% | 0.298 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60 | -39.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L187 P188 V189 F194 G195 | L187-A191 VanDerWaalsContact O-CB 3.31Å; L187-A191 WeakPolarHBondContact O-CB 3.28Å; L187-A191 PolarHBondContact O-N 3.14Å; P188-A191 PolarHBondContact O-N 2.94Å; V189-A191 VanDerWaalsContact C-N 3.34Å; V189-A191 PolarHBondContact O-N 3.39Å; A191-F194 PolarHBondContact O-N 2.85Å; A191-G195 PolarHBondContact O-N 2.81Å |
| 192 | A | 85.6 | Confident | 84.3 | Confident | 63 Ų | 63 | 53.8 Ų | 53.8 | 52% | 0.521 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P188 V189 V190 G195 C196 | P188-A192 VanDerWaalsContact O-CB 3.28Å; P188-A192 WeakPolarHBondContact O-CB 3.39Å; P188-A192 PolarHBondContact O-N 3.49Å; V189-A192 WeakPolarHBondContact O-CB 3.42Å; V189-A192 PolarHBondContact O-N 3.25Å; V190-A192 VanDerWaalsContact C-N 3.32Å; V190-A192 PolarHBondContact O-N 3.07Å; A192-G195 PolarHBondContact O-N 3.24Å; A192-C196 VanDerWaalsContact O-CB 3.3Å; A192-C196 WeakPolarHBondContact O-CB 3.35Å; A192-C196 PolarHBondContact O-N 3.15Å |
| 193 | V | 85.3 | Confident | 84.2 | Confident | 25 Ų | 25 | 57.9 Ų | 57.9 | 15% | 0.152 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.8 | -44.5 | 176.5 | -176.5 | 0 | 0 | 0 | 0 | 111.3 | V189 V190 C196 F197 V263 A266 I267 | V189-V193 WeakPolarHBondContact O-CG2 3.28Å; V189-V193 PolarHBondContact O-N 3.11Å; V190-V193 PolarHBondContact O-N 3.25Å; V193-C196 WeakPolarHBondContact O-CB 3.4Å; V193-C196 PolarHBondContact O-N 2.85Å; V193-F197 PolarHBondContact O-N 2.97Å; V193-V263 HydrophobicContact CG1-CG1 4.22Å; V193-A266 HydrophobicContact CG1-CB 3.88Å; V193-I267 HydrophobicContact CG1-CB 4.45Å; V193-I267 HydrophobicContact CG1-CG1 3.54Å |
| 194 | F | 79.3 | Confident | 84.3 | Confident | 54 Ų | 54 | 59.3 Ų | 59.3 | 24% | 0.237 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65 | -37.6 | 174.9 | -84.4 | -76.6 | 0 | 0 | 0 | 112.7 | V190 A191 F197 G198 I267 | V190-F194 HydrophobicContact CG1-CD2 3.58Å; V190-F194 HydrophobicContact CG1-CE2 3.57Å; V190-F194 WeakPolarHBondContact O-CD2 3.43Å; V190-F194 PolarHBondContact O-N 2.98Å; A191-F194 PolarHBondContact O-N 2.85Å; F194-F197 WeakPolarHBondContact O-CB 3.36Å; F194-F197 PolarHBondContact O-N 2.82Å; F194-G198 PolarHBondContact O-N 2.96Å; F194-G198 VanDerWaalsContact O-N 3.11Å; F194-I267 HydrophobicContact CD1-CD1 4.18Å; F194-I267 HydrophobicContact CE1-CD1 3.95Å; F194-I267 HydrophobicContact CE2-CG2 4.2Å; F194-I267 HydrophobicContact CZ-CD1 4.29Å; F194-I267 HydrophobicContact CZ-CG2 3.91Å |
| 195 | G | 80.5 | Confident | 84.1 | Confident | 41 Ų | 41 | 60.2 Ų | 60.2 | 42% | 0.423 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A191 A192 F197 G198 F199 | A191-G195 PolarHBondContact O-N 2.81Å; A192-G195 PolarHBondContact O-N 3.24Å; G195-F197 VanDerWaalsContact C-N 3.34Å; G195-F197 PolarHBondContact O-N 3.43Å; G195-G198 PolarHBondContact O-N 3.41Å; G195-F199 PolarHBondContact O-N 3.32Å |
| 196 | C | 85.2 | Confident | 84.1 | Confident | 58 Ų | 58 | 61.6 Ų | 61.6 | 39% | 0.392 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.1 | -42.3 | 174.1 | -170.5 | 0 | 0 | 0 | 0 | 111.6 | A192 V193 G198 F199 I200 | A192-C196 VanDerWaalsContact O-CB 3.3Å; A192-C196 WeakPolarHBondContact O-CB 3.35Å; A192-C196 PolarHBondContact O-N 3.15Å; V193-C196 WeakPolarHBondContact O-CB 3.4Å; V193-C196 PolarHBondContact O-N 2.85Å; C196-G198 PolarHBondContact O-N 3.1Å; C196-F199 PolarHBondContact O-N 3.14Å; C196-I200 WeakPolarHBondContact O-CB 3.26Å; C196-I200 WeakPolarHBondContact O-CG1 3.16Å; C196-I200 PolarHBondContact O-N 3.34Å; C196-I200 WeakPolarHBondContact SG-CD1 3.08Å |
| 197 | F | 82.2 | Confident | 84.3 | Confident | 66 Ų | 66 | 63 Ų | 63 | 29% | 0.289 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -54.8 | -51.8 | 173.5 | -177.7 | -98.8 | 0 | 0 | 0 | 111.9 | V193 F194 G195 F199 I200 M201 T260 V263 | V193-F197 PolarHBondContact O-N 2.97Å; F194-F197 WeakPolarHBondContact O-CB 3.36Å; F194-F197 PolarHBondContact O-N 2.82Å; G195-F197 VanDerWaalsContact C-N 3.34Å; G195-F197 PolarHBondContact O-N 3.43Å; F197-F199 PolarHBondContact O-N 2.99Å; F197-I200 PolarHBondContact O-N 3.26Å; F197-M201 HydrophobicContact CD1-CG 4.28Å; F197-M201 HydrophobicContact CD2-CG 4.34Å; F197-M201 HydrophobicContact CE1-CG 3.98Å; F197-M201 HydrophobicContact CE2-CG 4.05Å; F197-M201 HydrophobicContact CG-CG 4.46Å; F197-M201 HydrophobicContact CZ-CG 3.86Å; F197-M201 HydrophobicContact CZ-SD 4.43Å; F197-M201 VanDerWaalsContact O-CB 3.29Å; F197-M201 WeakPolarHBondContact O-CB 3.44Å; F197-M201 VanDerWaalsContact O-CG 3.27Å; F197-M201 WeakPolarHBondContact O-CG 3.37Å; F197-M201 PolarHBondContact O-N 3.47Å; F197-T260 HydrophobicContact CE2-CG2 4.23Å; F197-V263 HydrophobicContact CB-CG1 3.52Å; F197-V263 HydrophobicContact CD2-CB 4.13Å; F197-V263 HydrophobicContact CD2-CG1 3.71Å; F197-V263 HydrophobicContact CG-CG1 4.11Å |
| 198 | G | 77.5 | Confident | 84.5 | Confident | 42 Ų | 42 | 63.9 Ų | 63.9 | 43% | 0.433 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F194 G195 C196 K202 | F194-G198 PolarHBondContact O-N 2.96Å; F194-G198 VanDerWaalsContact O-N 3.11Å; G195-G198 PolarHBondContact O-N 3.41Å; C196-G198 PolarHBondContact O-N 3.1Å; G198-K202 WeakPolarHBondContact O-CB 3.28Å; G198-K202 PolarHBondContact O-N 2.99Å |
| 199 | F | 84.3 | Confident | 84.6 | Confident | 145 Ų | 145 | 65.2 Ų | 65.2 | 64% | 0.636 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -65.4 | -49.1 | 179.3 | -178.3 | -94.7 | 0 | 0 | 0 | 112.6 | G195 C196 F197 K202 Y203 | G195-F199 PolarHBondContact O-N 3.32Å; C196-F199 PolarHBondContact O-N 3.14Å; F197-F199 PolarHBondContact O-N 2.99Å; F199-K202 PolarHBondContact O-N 3.27Å; F199-Y203 WeakPolarHBondContact O-CB 3.32Å; F199-Y203 PolarHBondContact O-N 3.42Å |
| 200 | I | 86.5 | Confident | 84.8 | Confident | 32 Ų | 32 | 64.6 Ų | 64.6 | 16% | 0.164 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.1 | -48.5 | 179.2 | -75.7 | 175.8 | 0 | 0 | 0 | 110.4 | C196 F197 K202 Y203 F204 A259 V263 | C196-I200 WeakPolarHBondContact O-CB 3.26Å; C196-I200 WeakPolarHBondContact O-CG1 3.16Å; C196-I200 PolarHBondContact O-N 3.34Å; C196-I200 WeakPolarHBondContact SG-CD1 3.08Å; F197-I200 PolarHBondContact O-N 3.26Å; I200-K202 VanDerWaalsContact C-N 3.33Å; I200-K202 PolarHBondContact O-N 3.25Å; I200-Y203 PolarHBondContact O-N 2.71Å; I200-F204 HydrophobicContact CG2-CD2 3.68Å; I200-F204 HydrophobicContact CG2-CE2 3.92Å; I200-F204 WeakPolarHBondContact O-CD2 3.43Å; I200-F204 PolarHBondContact O-N 3.3Å; I200-A259 HydrophobicContact CG2-CB 3.57Å; I200-V263 HydrophobicContact CD1-CG2 3.61Å |
| 201 | M | 79.9 | Confident | 85.1 | Confident | 56 Ų | 56 | 64.7 Ų | 64.7 | 28% | 0.276 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.9 | -44.3 | 178.5 | -76.8 | -64.3 | -68.6 | 0 | 0 | 111.6 | F197 T205 T260 | F197-M201 HydrophobicContact CD1-CG 4.28Å; F197-M201 HydrophobicContact CD2-CG 4.34Å; F197-M201 HydrophobicContact CE1-CG 3.98Å; F197-M201 HydrophobicContact CE2-CG 4.05Å; F197-M201 HydrophobicContact CG-CG 4.46Å; F197-M201 HydrophobicContact CZ-CG 3.86Å; F197-M201 HydrophobicContact CZ-SD 4.43Å; F197-M201 VanDerWaalsContact O-CB 3.29Å; F197-M201 WeakPolarHBondContact O-CB 3.44Å; F197-M201 VanDerWaalsContact O-CG 3.27Å; F197-M201 WeakPolarHBondContact O-CG 3.37Å; F197-M201 PolarHBondContact O-N 3.47Å; M201-T205 WeakPolarHBondContact O-CB 3.43Å; M201-T205 PolarHBondContact O-N 3.01Å; M201-T205 PolarHBondContact O-OG1 3.02Å; M201-T260 HydrophobicContact SD-CG2 4.11Å; M201-T260 PolarHBondContact SD-OG1 2.76Å |
| 202 | K | 82.6 | Confident | 85.6 | Confident | 148 Ų | 148 | 64.4 Ų | 64.4 | 64% | 0.643 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.5 | -51.8 | 176.1 | -178.5 | -179.8 | 178.3 | 178.4 | 0 | 111.7 | G198 F199 I200 F204 T205 V206 | G198-K202 WeakPolarHBondContact O-CB 3.28Å; G198-K202 PolarHBondContact O-N 2.99Å; F199-K202 PolarHBondContact O-N 3.27Å; I200-K202 VanDerWaalsContact C-N 3.33Å; I200-K202 PolarHBondContact O-N 3.25Å; K202-F204 PolarHBondContact O-N 3.29Å; K202-T205 PolarHBondContact O-N 3.44Å; K202-V206 WeakPolarHBondContact O-CG2 3.48Å; K202-V206 PolarHBondContact O-N 3.29Å; K202-V206 VanDerWaalsContact O-N 3.16Å |
| 203 | Y | 89.3 | Confident | 85.9 | Confident | 118 Ų | 118 | 64 Ų | 64 | 46% | 0.463 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59 | -49.1 | -176.5 | 177.4 | -94.6 | 0 | 0 | 0 | 111.9 | F199 I200 K207 | F199-Y203 WeakPolarHBondContact O-CB 3.32Å; F199-Y203 PolarHBondContact O-N 3.42Å; I200-Y203 PolarHBondContact O-N 2.71Å; Y203-K207 HydrophobicContact CE1-CD 4.2Å; Y203-K207 WeakPolarHBondContact O-CB 3.31Å; Y203-K207 PolarHBondContact O-N 2.68Å; Y203-K207 PolarHBondContact OH-NZ 3.34Å |
| 204 | F | 89.6 | Confident | 86.1 | Confident | 31 Ų | 31 | 70.3 Ų | 70.3 | 14% | 0.136 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -73.8 | -35.8 | -178.1 | -77.6 | -69.1 | 0 | 0 | 0 | 113.3 | I200 K202 V206 K207 E208 R255 K256 A259 | I200-F204 HydrophobicContact CG2-CD2 3.68Å; I200-F204 HydrophobicContact CG2-CE2 3.92Å; I200-F204 WeakPolarHBondContact O-CD2 3.43Å; I200-F204 PolarHBondContact O-N 3.3Å; K202-F204 PolarHBondContact O-N 3.29Å; F204-V206 PolarHBondContact O-N 3.35Å; F204-K207 PolarHBondContact O-N 3.3Å; F204-E208 VanDerWaalsContact O-CB 3.31Å; F204-E208 WeakPolarHBondContact O-CB 3.15Å; F204-E208 PolarHBondContact O-N 2.75Å; F204-R255 HydrophobicContact CD1-CB 4.3Å; F204-R255 HydrophobicContact CE1-CB 3.65Å; F204-R255 HydrophobicContact CZ-CB 4.21Å; F204-K256 HydrophobicContact CB-CB 3.76Å; F204-K256 HydrophobicContact CB-CD 4.37Å; F204-K256 HydrophobicContact CB-CG 3.77Å; F204-K256 HydrophobicContact CD1-CB 4.43Å; F204-K256 HydrophobicContact CG-CB 4.14Å; F204-A259 HydrophobicContact CD2-CB 4.21Å; F204-A259 HydrophobicContact CE2-CB 3.78Å |
| 205 | T | 84.9 | Confident | 86.7 | Confident | 47 Ų | 47 | 67.7 Ų | 67.7 | 29% | 0.288 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 177.1 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | M201 K202 K207 E208 I209 | M201-T205 WeakPolarHBondContact O-CB 3.43Å; M201-T205 PolarHBondContact O-N 3.01Å; M201-T205 PolarHBondContact O-OG1 3.02Å; K202-T205 PolarHBondContact O-N 3.44Å; T205-K207 PolarHBondContact O-N 2.94Å; T205-E208 PolarHBondContact O-N 3.35Å; T205-I209 HydrophobicContact CG2-CD1 4.09Å; T205-I209 WeakPolarHBondContact O-CG1 3.43Å; T205-I209 PolarHBondContact O-N 3.24Å; T205-I209 VanDerWaalsContact O-N 3.09Å |
| 206 | V | 88.4 | Confident | 87.2 | Confident | 93 Ų | 93 | 66.3 Ų | 66.3 | 56% | 0.564 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.7 | -42.5 | 175.7 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | K202 F204 E208 A210 | K202-V206 WeakPolarHBondContact O-CG2 3.48Å; K202-V206 PolarHBondContact O-N 3.29Å; K202-V206 VanDerWaalsContact O-N 3.16Å; F204-V206 PolarHBondContact O-N 3.35Å; V206-E208 PolarHBondContact O-N 2.92Å; V206-A210 WeakPolarHBondContact O-CB 3.48Å; V206-A210 PolarHBondContact O-N 2.7Å |
| 207 | K | 90.9 | Very high | 87.5 | Confident | 78 Ų | 78 | 66.6 Ų | 66.6 | 34% | 0.339 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.4 | -36.4 | 179.4 | -163.4 | 173 | -172.4 | 164.5 | 0 | 112.7 | Y203 F204 T205 A211 V252 | Y203-K207 HydrophobicContact CE1-CD 4.2Å; Y203-K207 WeakPolarHBondContact O-CB 3.31Å; Y203-K207 PolarHBondContact O-N 2.68Å; Y203-K207 PolarHBondContact OH-NZ 3.34Å; F204-K207 PolarHBondContact O-N 3.3Å; T205-K207 PolarHBondContact O-N 2.94Å; K207-A211 WeakPolarHBondContact O-CB 3.47Å; K207-A211 PolarHBondContact O-N 3.2Å; K207-V252 HydrophobicContact CB-CG1 3.93Å; K207-V252 HydrophobicContact CD-CG1 4.25Å; K207-V252 HydrophobicContact CD-CG2 4.45Å; K207-V252 HydrophobicContact CG-CG1 3.85Å; K207-V252 HydrophobicContact CG-CG2 4.22Å |
| 208 | E | 87 | Confident | 87.9 | Confident | 42 Ų | 42 | 64.3 Ų | 64.3 | 20% | 0.196 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.6 | -47.8 | 177.2 | -175.4 | -169.4 | 167.9 | 0 | 0 | 111.3 | F204 T205 V206 A210 A211 Y212 V252 K256 | F204-E208 VanDerWaalsContact O-CB 3.31Å; F204-E208 WeakPolarHBondContact O-CB 3.15Å; F204-E208 PolarHBondContact O-N 2.75Å; T205-E208 PolarHBondContact O-N 3.35Å; V206-E208 PolarHBondContact O-N 2.92Å; E208-A210 VanDerWaalsContact C-N 3.32Å; E208-A210 PolarHBondContact O-N 3.35Å; E208-A211 PolarHBondContact O-N 3.49Å; E208-Y212 PolarHBondContact O-N 2.64Å; E208-V252 HydrophobicContact CB-CG1 4.09Å; E208-K256 WeakPolarHBondContact OE2-CD 3.3Å; E208-K256 WeakPolarHBondContact OE2-CE 2.96Å; E208-K256 IonicContact OE2-NZ 3.32Å; E208-K256 PolarHBondContact OE2-NZ 3.32Å |
| 209 | I | 87.2 | Confident | 88.6 | Confident | 115 Ų | 115 | 62.3 Ų | 62.3 | 59% | 0.59 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -58.4 | -46.1 | 175.6 | -66.9 | 167.7 | 0 | 0 | 0 | 110.1 | T205 A211 Y212 A213 | T205-I209 HydrophobicContact CG2-CD1 4.09Å; T205-I209 WeakPolarHBondContact O-CG1 3.43Å; T205-I209 PolarHBondContact O-N 3.24Å; T205-I209 VanDerWaalsContact O-N 3.09Å; I209-A211 PolarHBondContact O-N 3.45Å; I209-Y212 PolarHBondContact O-N 3.07Å; I209-A213 WeakPolarHBondContact O-CB 3.49Å; I209-A213 PolarHBondContact O-N 3.2Å |
| 210 | A | 90.6 | Very high | 89 | Confident | 56 Ų | 56 | 56.4 Ų | 56.4 | 46% | 0.463 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.2 | -36 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V206 E208 | V206-A210 WeakPolarHBondContact O-CB 3.48Å; V206-A210 PolarHBondContact O-N 2.7Å; E208-A210 VanDerWaalsContact C-N 3.32Å; E208-A210 PolarHBondContact O-N 3.35Å |
| 211 | A | 89.9 | Confident | 89.2 | Confident | 13 Ų | 13 | 56.7 Ų | 56.7 | 11% | 0.107 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68 | -43.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | K207 E208 I209 A249 V252 | K207-A211 WeakPolarHBondContact O-CB 3.47Å; K207-A211 PolarHBondContact O-N 3.2Å; E208-A211 PolarHBondContact O-N 3.49Å; I209-A211 PolarHBondContact O-N 3.45Å; A211-A249 HydrophobicContact CB-CB 4.33Å; A211-V252 HydrophobicContact CB-CG2 4.2Å |
| 212 | Y | 91 | Very high | 89.8 | Confident | 30 Ų | 30 | 54 Ų | 54 | 12% | 0.118 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.1 | -34.1 | 175.9 | 179.7 | -103.8 | 0 | 0 | 0 | 112.8 | E208 I209 R214 A215 G216 L246 R763 A793 | E208-Y212 PolarHBondContact O-N 2.64Å; I209-Y212 PolarHBondContact O-N 3.07Å; Y212-R214 PolarHBondContact O-N 3.33Å; Y212-R214 VanDerWaalsContact O-N 3.1Å; Y212-A215 HydrophobicContact CD2-CB 4.38Å; Y212-A215 WeakPolarHBondContact O-CA 3.24Å; Y212-A215 WeakPolarHBondContact O-CB 3.3Å; Y212-A215 PolarHBondContact O-N 3Å; Y212-G216 PolarHBondContact O-N 2.67Å; Y212-L246 HydrophobicContact CD2-CD2 4.43Å; Y212-L246 HydrophobicContact CE2-CD2 4.34Å; Y212-R763 VanDerWaalsContact CD2-CZ 3.41Å; Y212-R763 VanDerWaalsContact CE2-NE 3.34Å; Y212-A793 HydrophobicContact CE1-CB 3.5Å; Y212-A793 VanDerWaalsContact CE1-CB 3.5Å; Y212-A793 WeakPolarHBondContact OH-CA 3.33Å; Y212-A793 PolarHBondContact OH-N 2.9Å |
| 213 | A | 91.1 | Very high | 90.3 | Very high | 54 Ų | 54 | 47.2 Ų | 47.2 | 45% | 0.446 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -54.6 | -32.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I209 G216 S217 | I209-A213 WeakPolarHBondContact O-CB 3.49Å; I209-A213 PolarHBondContact O-N 3.2Å; A213-G216 PolarHBondContact O-N 3.32Å; A213-S217 PolarHBondContact O-N 3.4Å; A213-S217 PolarHBondContact O-OG 3.37Å |
| 214 | R | 90.1 | Very high | 90.4 | Very high | 157 Ų | 157 | 46.9 Ų | 46.9 | 59% | 0.592 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -68.2 | -41.7 | 174.6 | -61.4 | -178.6 | -174.7 | -179.3 | -1.3 | 113.1 | Y212 S217 I218 | Y212-R214 PolarHBondContact O-N 3.33Å; Y212-R214 VanDerWaalsContact O-N 3.1Å; R214-S217 PolarHBondContact O-OG 3.06Å; R214-I218 WeakPolarHBondContact O-CD1 3.42Å; R214-I218 WeakPolarHBondContact O-CG1 3.44Å; R214-I218 PolarHBondContact O-N 3.47Å |
| 215 | A | 91.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.6 | -41.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y212 S217 I218 A219 Y242 Q245 L246 | Y212-A215 HydrophobicContact CD2-CB 4.38Å; Y212-A215 WeakPolarHBondContact O-CA 3.24Å; Y212-A215 WeakPolarHBondContact O-CB 3.3Å; Y212-A215 PolarHBondContact O-N 3Å; A215-S217 PolarHBondContact O-N 3.26Å; A215-I218 PolarHBondContact O-N 3.44Å; A215-A219 PolarHBondContact O-N 3.08Å; A215-Y242 HydrophobicContact CB-CD2 4.02Å; A215-Y242 HydrophobicContact CB-CE2 3.72Å; A215-Y242 VanDerWaalsContact O-CD2 3.29Å; A215-Y242 WeakPolarHBondContact O-CD2 3Å; A215-Y242 VanDerWaalsContact O-CE2 3.23Å; A215-Y242 WeakPolarHBondContact O-CE2 3.26Å; A215-Q245 HydrophobicContact CB-CB 3.79Å; A215-L246 HydrophobicContact CB-CD2 3.94Å; A215-L246 HydrophobicContact CB-CG 4.5Å |
| 216 | G | 92.2 | Very high | 90.8 | Very high | 12 Ų | 12 | 44 Ų | 44 | 12% | 0.124 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.3 | -38.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y212 A213 A219 G220 | Y212-G216 PolarHBondContact O-N 2.67Å; A213-G216 PolarHBondContact O-N 3.32Å; G216-A219 PolarHBondContact O-N 3.31Å; G216-G220 PolarHBondContact O-N 3.42Å |
| 217 | S | 90.2 | Very high | 91 | Very high | 63 Ų | 63 | 45.2 Ų | 45.2 | 44% | 0.441 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67 | -40.4 | 176.7 | 63.6 | 0 | 0 | 0 | 0 | 112.3 | A213 R214 A215 G220 E221 | A213-S217 PolarHBondContact O-N 3.4Å; A213-S217 PolarHBondContact O-OG 3.37Å; R214-S217 PolarHBondContact O-OG 3.06Å; A215-S217 PolarHBondContact O-N 3.26Å; S217-G220 PolarHBondContact O-N 3.18Å; S217-E221 WeakPolarHBondContact O-CB 3.25Å; S217-E221 PolarHBondContact O-N 2.72Å |
| 218 | I | 91.3 | Very high | 91.1 | Very high | 18 Ų | 18 | 42.2 Ų | 42.2 | 9% | 0.092 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.7 | -47.4 | 173.8 | -68.6 | 160.2 | 0 | 0 | 0 | 110.2 | R214 A215 G220 E221 V222 R241 Q245 | R214-I218 WeakPolarHBondContact O-CD1 3.42Å; R214-I218 WeakPolarHBondContact O-CG1 3.44Å; R214-I218 PolarHBondContact O-N 3.47Å; A215-I218 PolarHBondContact O-N 3.44Å; I218-G220 VanDerWaalsContact C-N 3.33Å; I218-G220 PolarHBondContact O-N 3.18Å; I218-E221 PolarHBondContact O-N 2.96Å; I218-V222 HydrophobicContact CG2-CG2 4.17Å; I218-V222 WeakPolarHBondContact O-CB 3.36Å; I218-V222 WeakPolarHBondContact O-CG2 3.14Å; I218-V222 PolarHBondContact O-N 3.17Å; I218-R241 HydrophobicContact CD1-CG 4.11Å; I218-R241 HydrophobicContact CG2-CG 4.43Å; I218-Q245 HydrophobicContact CD1-CB 4.32Å; I218-Q245 HydrophobicContact CD1-CG 3.47Å; I218-Q245 VanDerWaalsContact CD1-CG 3.47Å |
| 219 | A | 92.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.5 | -44.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A215 G216 V222 L223 Y242 F767 L792 | A215-A219 PolarHBondContact O-N 3.08Å; G216-A219 PolarHBondContact O-N 3.31Å; A219-V222 PolarHBondContact O-N 2.88Å; A219-L223 VanDerWaalsContact O-CB 3.27Å; A219-L223 WeakPolarHBondContact O-CB 3.22Å; A219-L223 WeakPolarHBondContact O-CD1 3.31Å; A219-L223 WeakPolarHBondContact O-CG 3.38Å; A219-L223 PolarHBondContact O-N 2.94Å; A219-Y242 HydrophobicContact CB-CD2 4.12Å; A219-Y242 HydrophobicContact CB-CE2 3.81Å; A219-F767 HydrophobicContact CB-CD2 4.32Å; A219-F767 HydrophobicContact CB-CE2 3.9Å; A219-L792 HydrophobicContact CB-CD1 4.17Å |
| 220 | G | 91.2 | Very high | 91.6 | Very high | 21 Ų | 21 | 35 Ų | 35 | 22% | 0.216 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.3 | -46.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G216 S217 I218 E224 T789 | G216-G220 PolarHBondContact O-N 3.42Å; S217-G220 PolarHBondContact O-N 3.18Å; I218-G220 VanDerWaalsContact C-N 3.33Å; I218-G220 PolarHBondContact O-N 3.18Å; G220-E224 WeakPolarHBondContact O-CB 3.36Å; G220-E224 PolarHBondContact O-N 3.21Å; G220-T789 WeakPolarHBondContact CA-OG1 3.36Å |
| 221 | E | 91 | Very high | 91.7 | Very high | 38 Ų | 38 | 32.5 Ų | 32.5 | 18% | 0.178 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.3 | -48.8 | 176.5 | 179.2 | -171.2 | -151 | 0 | 0 | 112 | S217 I218 E224 A225 R241 F1098 D1099 | S217-E221 WeakPolarHBondContact O-CB 3.25Å; S217-E221 PolarHBondContact O-N 2.72Å; I218-E221 PolarHBondContact O-N 2.96Å; E221-E224 PolarHBondContact O-N 2.85Å; E221-A225 WeakPolarHBondContact O-CB 3.49Å; E221-A225 PolarHBondContact O-N 3.14Å; E221-R241 IonicContact OE2-CZ 2.88Å; E221-R241 IonicContact OE2-NH1 2.68Å; E221-R241 PolarHBondContact OE2-NH1 3.35Å; E221-R241 IonicContact OE2-NH2 3.35Å; E221-R241 PolarHBondContact OE2-NH2 3.09Å; E221-F1098 HydrophobicContact CG-CD1 4.11Å; E221-F1098 WeakPolarHBondContact OE1-CA 3.5Å; E221-F1098 WeakPolarHBondContact OE1-CB 3.47Å; E221-D1099 PolarHBondContact OE1-N 3.02Å |
| 222 | V | 93.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.1 | -42.5 | -177.1 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | I218 A219 E224 A225 V226 V229 E238 F767 L771 | I218-V222 HydrophobicContact CG2-CG2 4.17Å; I218-V222 WeakPolarHBondContact O-CB 3.36Å; I218-V222 WeakPolarHBondContact O-CG2 3.14Å; I218-V222 PolarHBondContact O-N 3.17Å; A219-V222 PolarHBondContact O-N 2.88Å; V222-E224 VanDerWaalsContact C-N 3.35Å; V222-A225 CarbonylContact O-C 3.59Å; V222-A225 PolarHBondContact O-N 2.56Å; V222-V226 VanDerWaalsContact O-CA 3.31Å; V222-V226 WeakPolarHBondContact O-CA 3.41Å; V222-V226 PolarHBondContact O-N 2.99Å; V222-V229 HydrophobicContact CG1-CG2 4.12Å; V222-E238 HydrophobicContact CG1-CB 3.97Å; V222-E238 HydrophobicContact CG1-CG 4.05Å; V222-E238 HydrophobicContact CG2-CB 3.93Å; V222-E238 HydrophobicContact CG2-CG 3.75Å; V222-E238 WeakPolarHBondContact CG2-OE2 3.22Å; V222-F767 HydrophobicContact CB-CZ 4.12Å; V222-F767 HydrophobicContact CG1-CE2 4.46Å; V222-F767 HydrophobicContact CG1-CZ 3.85Å; V222-L771 HydrophobicContact CG1-CD2 3.7Å |
| 223 | L | 93.2 | Very high | 91.8 | Very high | 6 Ų | 6 | 32.8 Ų | 32.8 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.7 | -33.5 | 179.7 | -68.2 | 168.7 | 0 | 0 | 0 | 111.8 | A219 F767 M770 F778 A785 L788 L792 | A219-L223 VanDerWaalsContact O-CB 3.27Å; A219-L223 WeakPolarHBondContact O-CB 3.22Å; A219-L223 WeakPolarHBondContact O-CD1 3.31Å; A219-L223 WeakPolarHBondContact O-CG 3.38Å; A219-L223 PolarHBondContact O-N 2.94Å; L223-F767 HydrophobicContact CG-CE2 4.32Å; L223-M770 HydrophobicContact CD2-CB 4.39Å; L223-M770 HydrophobicContact CD2-SD 4.43Å; L223-F778 HydrophobicContact CD2-CE1 3.83Å; L223-A785 HydrophobicContact CB-CB 3.82Å; L223-L788 HydrophobicContact CD1-CB 3.81Å; L223-L788 HydrophobicContact CD2-CD1 4.12Å; L223-L792 HydrophobicContact CD1-CD1 4.37Å |
| 224 | E | 90.3 | Very high | 91.8 | Very high | 111 Ų | 111 | 30.2 Ų | 30.2 | 52% | 0.519 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -70.3 | -39.4 | 172.8 | -178.2 | 165.3 | -135.5 | 0 | 0 | 111.8 | G220 E221 V222 V226 A785 R1147 | G220-E224 WeakPolarHBondContact O-CB 3.36Å; G220-E224 PolarHBondContact O-N 3.21Å; E221-E224 PolarHBondContact O-N 2.85Å; V222-E224 VanDerWaalsContact C-N 3.35Å; E224-V226 VanDerWaalsContact C-N 3.32Å; E224-V226 PolarHBondContact O-N 2.73Å; E224-A785 HydrophobicContact CB-CB 4.18Å; E224-R1147 IonicContact OE1-CZ 2.7Å; E224-R1147 IonicContact OE1-NE 3.62Å; E224-R1147 IonicContact OE1-NH2 3.89Å; E224-R1147 PolarHBondContact OE1-NH2 2.96Å; E224-R1147 IonicContact OE2-CZ 2.68Å; E224-R1147 IonicContact OE2-NE 3.78Å; E224-R1147 PolarHBondContact OE2-NE 3.17Å; E224-R1147 IonicContact OE2-NH2 3.87Å; E224-R1147 PolarHBondContact OE2-NH2 3.12Å |
| 225 | A | 91.3 | Very high | 92 | Very high | 9 Ų | 9 | 24 Ų | 24 | 7% | 0.074 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 20.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | E221 V222 R227 T228 V229 F1098 | E221-A225 WeakPolarHBondContact O-CB 3.49Å; E221-A225 PolarHBondContact O-N 3.14Å; V222-A225 CarbonylContact O-C 3.59Å; V222-A225 PolarHBondContact O-N 2.56Å; A225-R227 VanDerWaalsContact C-N 3.27Å; A225-R227 PolarHBondContact O-N 3.32Å; A225-R227 VanDerWaalsContact O-N 3.13Å; A225-T228 WeakPolarHBondContact O-CA 3.4Å; A225-T228 WeakPolarHBondContact O-CB 3.14Å; A225-T228 PolarHBondContact O-N 2.87Å; A225-V229 PolarHBondContact O-N 2.99Å; A225-F1098 HydrophobicContact CB-CE1 3.86Å; A225-F1098 HydrophobicContact CB-CZ 4.31Å |
| 226 | V | 92.9 | Very high | 92 | Very high | 9 Ų | 9 | 29.9 Ų | 29.9 | 6% | 0.055 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.5 | -36.4 | -168.5 | 68.4 | 0 | 0 | 0 | 0 | 113.2 | V222 E224 T228 V229 V230 I775 F778 | V222-V226 VanDerWaalsContact O-CA 3.31Å; V222-V226 WeakPolarHBondContact O-CA 3.41Å; V222-V226 PolarHBondContact O-N 2.99Å; E224-V226 VanDerWaalsContact C-N 3.32Å; E224-V226 PolarHBondContact O-N 2.73Å; V226-T228 VanDerWaalsContact C-N 3.3Å; V226-T228 PolarHBondContact O-N 2.65Å; V226-V229 PolarHBondContact O-N 3.05Å; V226-V230 HydrophobicContact CG2-CG2 4.03Å; V226-V230 WeakPolarHBondContact O-CB 2.94Å; V226-V230 WeakPolarHBondContact O-CG2 3.3Å; V226-V230 PolarHBondContact O-N 3.28Å; V226-I775 HydrophobicContact CG1-CD1 4.34Å; V226-I775 HydrophobicContact CG2-CD1 4.42Å; V226-F778 HydrophobicContact CG1-CB 4.32Å; V226-F778 HydrophobicContact CG1-CD1 4.19Å; V226-F778 HydrophobicContact CG1-CD2 4.33Å; V226-F778 HydrophobicContact CG1-CG 4.03Å; V226-F778 HydrophobicContact CG2-CD1 4.45Å; V226-F778 HydrophobicContact CG2-CD2 4.17Å; V226-F778 HydrophobicContact CG2-CE1 4.08Å; V226-F778 HydrophobicContact CG2-CE2 3.77Å; V226-F778 HydrophobicContact CG2-CG 4.48Å; V226-F778 HydrophobicContact CG2-CZ 3.7Å |
| 227 | R | 91.7 | Very high | 92 | Very high | 118 Ų | 118 | 33.7 Ų | 33.7 | 45% | 0.445 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.3 | -39.1 | 176.5 | -66.4 | -176.8 | -174.7 | 134.3 | 1 | 111.9 | A225 A231 I775 D779 F1057 | A225-R227 VanDerWaalsContact C-N 3.27Å; A225-R227 PolarHBondContact O-N 3.32Å; A225-R227 VanDerWaalsContact O-N 3.13Å; R227-A231 VanDerWaalsContact O-CB 3.26Å; R227-A231 WeakPolarHBondContact O-CB 3.47Å; R227-A231 PolarHBondContact O-N 3.4Å; R227-I775 HydrophobicContact CG-CD1 4.05Å; R227-I775 HydrophobicContact CG-CG2 3.98Å; R227-D779 IonicContact CZ-OD1 2.65Å; R227-D779 IonicContact NH2-OD1 2.81Å; R227-D779 PolarHBondContact NH2-OD1 3.44Å; R227-F1057 HydrophobicContact CB-CE2 4.2Å; R227-F1057 HydrophobicContact CB-CZ 4.34Å; R227-F1057 HydrophobicContact CG-CE2 4.48Å; R227-F1057 WeakPolarHBondContact O-CZ 3.28Å |
| 228 | T | 92.3 | Very high | 92.2 | Very high | 14 Ų | 14 | 30.8 Ų | 30.8 | 9% | 0.086 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -71.1 | -43.9 | 176.2 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | A225 V226 V230 A231 F232 T1096 F1098 | A225-T228 WeakPolarHBondContact O-CA 3.4Å; A225-T228 WeakPolarHBondContact O-CB 3.14Å; A225-T228 PolarHBondContact O-N 2.87Å; V226-T228 VanDerWaalsContact C-N 3.3Å; V226-T228 PolarHBondContact O-N 2.65Å; T228-V230 VanDerWaalsContact C-N 3.33Å; T228-V230 PolarHBondContact O-N 2.97Å; T228-A231 PolarHBondContact O-N 2.81Å; T228-F232 HydrophobicContact CG2-CD2 3.79Å; T228-F232 HydrophobicContact CG2-CE2 3.93Å; T228-F232 VanDerWaalsContact O-CD2 3.3Å; T228-F232 WeakPolarHBondContact O-CD2 3.38Å; T228-F232 PolarHBondContact O-N 3.42Å; T228-F232 VanDerWaalsContact O-N 3.09Å; T228-T1096 WeakPolarHBondContact CB-OG1 3.12Å; T228-T1096 PolarHBondContact OG1-OG1 3.34Å; T228-F1098 HydrophobicContact CG2-CE2 4.32Å; T228-F1098 HydrophobicContact CG2-CZ 4.33Å |
| 229 | V | 93.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.9 | -46.9 | 177.7 | 177.9 | 0 | 0 | 0 | 0 | 110.5 | V222 A225 V226 G233 G234 E235 E238 F1098 | V222-V229 HydrophobicContact CG1-CG2 4.12Å; A225-V229 PolarHBondContact O-N 2.99Å; V226-V229 PolarHBondContact O-N 3.05Å; V229-G233 PolarHBondContact O-N 2.99Å; V229-G233 VanDerWaalsContact O-N 3.1Å; V229-G234 PolarHBondContact O-N 3.15Å; V229-E235 HydrophobicContact CG1-CG 4.4Å; V229-E238 HydrophobicContact CG1-CG 3.95Å; V229-E238 HydrophobicContact CG2-CG 4.37Å; V229-F1098 HydrophobicContact CG2-CE1 3.87Å; V229-F1098 HydrophobicContact CG2-CZ 3.67Å |
| 230 | V | 92.7 | Very high | 92.4 | Very high | 6 Ų | 6 | 33.5 Ų | 33.5 | 4% | 0.036 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.9 | -37.7 | 179.3 | 174.3 | 0 | 0 | 0 | 0 | 111.8 | V226 T228 G233 E235 I775 F1057 R1085 | V226-V230 HydrophobicContact CG2-CG2 4.03Å; V226-V230 WeakPolarHBondContact O-CB 2.94Å; V226-V230 WeakPolarHBondContact O-CG2 3.3Å; V226-V230 PolarHBondContact O-N 3.28Å; T228-V230 VanDerWaalsContact C-N 3.33Å; T228-V230 PolarHBondContact O-N 2.97Å; V230-G233 PolarHBondContact O-N 3.42Å; V230-E235 HydrophobicContact CG2-CG 4.48Å; V230-I775 HydrophobicContact CB-CD1 4.19Å; V230-I775 HydrophobicContact CG1-CD1 4.33Å; V230-I775 HydrophobicContact CG2-CD1 4.04Å; V230-F1057 HydrophobicContact CB-CE1 4.44Å; V230-F1057 HydrophobicContact CG1-CD1 4.32Å; V230-F1057 HydrophobicContact CG1-CE1 3.96Å; V230-R1085 VanDerWaalsContact CG1-CZ 3.43Å; V230-R1085 WeakPolarHBondContact O-CD 3.33Å |
| 231 | A | 91.9 | Very high | 92.5 | Very high | 3 Ų | 3 | 35 Ų | 35 | 3% | 0.025 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.2 | -41.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R227 T228 F1057 L1090 | R227-A231 VanDerWaalsContact O-CB 3.26Å; R227-A231 WeakPolarHBondContact O-CB 3.47Å; R227-A231 PolarHBondContact O-N 3.4Å; T228-A231 PolarHBondContact O-N 2.81Å; A231-F1057 HydrophobicContact CB-CE1 4.47Å; A231-F1057 HydrophobicContact CB-CZ 4.07Å; A231-L1090 HydrophobicContact CB-CD2 3.77Å |
| 232 | F | 92.5 | Very high | 92.7 | Very high | 10 Ų | 10 | 33.1 Ų | 33.1 | 4% | 0.044 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 2.7 | -178.2 | -68.3 | -73.3 | 0 | 0 | 0 | 113.8 | T228 Y1108 N1111 R1163 R1167 | T228-F232 HydrophobicContact CG2-CD2 3.79Å; T228-F232 HydrophobicContact CG2-CE2 3.93Å; T228-F232 VanDerWaalsContact O-CD2 3.3Å; T228-F232 WeakPolarHBondContact O-CD2 3.38Å; T228-F232 PolarHBondContact O-N 3.42Å; T228-F232 VanDerWaalsContact O-N 3.09Å; F232-Y1108 HydrophobicContact CB-CD1 4.02Å; F232-Y1108 HydrophobicContact CB-CE1 4.14Å; F232-Y1108 HydrophobicContact CG-CD1 4.44Å; F232-N1111 PolarHBondContact O-ND2 2.92Å; F232-N1111 VanDerWaalsContact O-ND2 3.1Å; F232-R1163 HydrophobicContact CD1-CG 4.48Å; F232-R1163 HydrophobicContact CE1-CG 3.97Å; F232-R1163 HydrophobicContact CE2-CG 4.37Å; F232-R1163 HydrophobicContact CZ-CG 3.92Å; F232-R1167 PolarHBondContact O-NH2 3.22Å |
| 233 | G | 91.2 | Very high | 92.7 | Very high | 40 Ų | 40 | 34.5 Ų | 34.5 | 41% | 0.412 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 35.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | V229 V230 E235 | V229-G233 PolarHBondContact O-N 2.99Å; V229-G233 VanDerWaalsContact O-N 3.1Å; V230-G233 PolarHBondContact O-N 3.42Å; G233-E235 VanDerWaalsContact CA-OE2 3.22Å; G233-E235 WeakPolarHBondContact CA-OE2 3.43Å |
| 234 | G | 91.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -86.9 | 2.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | V229 Q236 K237 E238 | V229-G234 PolarHBondContact O-N 3.15Å; G234-Q236 VanDerWaalsContact C-N 3.34Å; G234-Q236 PolarHBondContact O-N 3.41Å; G234-K237 WeakPolarHBondContact O-CB 3.2Å; G234-K237 PolarHBondContact O-N 3.13Å; G234-K237 VanDerWaalsContact O-N 3.11Å; G234-E238 WeakPolarHBondContact O-CG 3.4Å; G234-E238 PolarHBondContact O-N 3.01Å | ||
| 235 | E | 92.8 | Very high | 92.9 | Very high | 25 Ų | 25 | 36.2 Ų | 36.2 | 12% | 0.117 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.8 | -43.1 | -168.8 | -58.1 | 93.7 | 146.1 | 0 | 0 | 112.7 | V229 V230 G233 L239 L771 | V229-E235 HydrophobicContact CG1-CG 4.4Å; V230-E235 HydrophobicContact CG2-CG 4.48Å; G233-E235 VanDerWaalsContact CA-OE2 3.22Å; G233-E235 WeakPolarHBondContact CA-OE2 3.43Å; E235-L239 WeakPolarHBondContact O-CB 3.35Å; E235-L239 PolarHBondContact O-N 3.46Å; E235-L771 HydrophobicContact CB-CB 4.31Å; E235-L771 HydrophobicContact CG-CB 4.46Å; E235-L771 WeakPolarHBondContact O-CD1 3.33Å |
| 236 | Q | 92.6 | Very high | 93 | Very high | 124 Ų | 124 | 35.9 Ų | 35.9 | 58% | 0.579 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -71 | -36.1 | 179.4 | -68.5 | -62.2 | -23.1 | 0 | 0 | 112.8 | G234 L239 A240 | G234-Q236 VanDerWaalsContact C-N 3.34Å; G234-Q236 PolarHBondContact O-N 3.41Å; Q236-L239 PolarHBondContact O-N 2.96Å; Q236-A240 PolarHBondContact O-N 3.25Å |
| 237 | K | 92.2 | Very high | 93.1 | Very high | 93 Ų | 93 | 37.5 Ų | 37.5 | 40% | 0.404 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -65.3 | -44 | 177.1 | -173.2 | 175.3 | -179.6 | 174.5 | 0 | 110.6 | G234 A240 R241 Y1108 N1111 | G234-K237 WeakPolarHBondContact O-CB 3.2Å; G234-K237 PolarHBondContact O-N 3.13Å; G234-K237 VanDerWaalsContact O-N 3.11Å; K237-A240 PolarHBondContact O-N 3.35Å; K237-R241 WeakPolarHBondContact O-CB 3.36Å; K237-R241 PolarHBondContact O-N 2.98Å; K237-Y1108 HydrophobicContact CD-CE2 4.24Å; K237-N1111 WeakPolarHBondContact CD-OD1 3.45Å; K237-N1111 PolarHBondContact NZ-OD1 3.31Å; K237-N1111 VanDerWaalsContact NZ-OD1 3.14Å |
| 238 | E | 93.7 | Very high | 93.1 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.009 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.8 | -37.3 | 176.5 | -64 | -49.8 | 143.2 | 0 | 0 | 112.9 | V222 V229 G234 A240 R241 Y242 L771 Y1108 | V222-E238 HydrophobicContact CG1-CB 3.97Å; V222-E238 HydrophobicContact CG1-CG 4.05Å; V222-E238 HydrophobicContact CG2-CB 3.93Å; V222-E238 HydrophobicContact CG2-CG 3.75Å; V222-E238 WeakPolarHBondContact CG2-OE2 3.22Å; V229-E238 HydrophobicContact CG1-CG 3.95Å; V229-E238 HydrophobicContact CG2-CG 4.37Å; G234-E238 WeakPolarHBondContact O-CG 3.4Å; G234-E238 PolarHBondContact O-N 3.01Å; E238-A240 VanDerWaalsContact C-N 3.33Å; E238-A240 PolarHBondContact O-N 3.16Å; E238-R241 PolarHBondContact O-N 3.46Å; E238-R241 IonicContact OE2-CZ 3.07Å; E238-R241 IonicContact OE2-NE 2.79Å; E238-R241 PolarHBondContact OE2-NE 2.91Å; E238-R241 IonicContact OE2-NH2 2.83Å; E238-R241 PolarHBondContact OE2-NH2 3.42Å; E238-Y242 WeakPolarHBondContact O-CB 3.47Å; E238-Y242 PolarHBondContact O-N 3.12Å; E238-L771 HydrophobicContact CB-CD1 4.48Å; E238-Y1108 WeakPolarHBondContact CG-OH 3.47Å; E238-Y1108 VanDerWaalsContact OE1-CE2 3.22Å; E238-Y1108 WeakPolarHBondContact OE1-CE2 3.42Å; E238-Y1108 PolarHBondContact OE1-OH 3.49Å |
| 239 | L | 94.6 | Very high | 93.1 | Very high | 15 Ų | 15 | 35.8 Ų | 35.8 | 8% | 0.079 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.1 | -41.8 | 173.3 | 179.3 | 61.2 | 0 | 0 | 0 | 111.9 | E235 Q236 S243 F767 E768 L771 | E235-L239 WeakPolarHBondContact O-CB 3.35Å; E235-L239 PolarHBondContact O-N 3.46Å; Q236-L239 PolarHBondContact O-N 2.96Å; L239-S243 WeakPolarHBondContact O-CB 3.27Å; L239-S243 PolarHBondContact O-N 2.99Å; L239-S243 PolarHBondContact O-OG 3.36Å; L239-F767 HydrophobicContact CD1-CD1 3.87Å; L239-E768 HydrophobicContact CD1-CB 3.86Å; L239-E768 HydrophobicContact CD2-CB 3.83Å; L239-E768 HydrophobicContact CD2-CG 3.76Å; L239-L771 HydrophobicContact CB-CD1 4.37Å |
| 240 | A | 94.9 | Very high | 93.1 | Very high | 60 Ų | 60 | 37.3 Ų | 37.3 | 50% | 0.496 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.8 | -47.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q236 K237 E238 Y242 S243 E244 | Q236-A240 PolarHBondContact O-N 3.25Å; K237-A240 PolarHBondContact O-N 3.35Å; E238-A240 VanDerWaalsContact C-N 3.33Å; E238-A240 PolarHBondContact O-N 3.16Å; A240-Y242 VanDerWaalsContact C-N 3.34Å; A240-Y242 PolarHBondContact O-N 3.37Å; A240-S243 PolarHBondContact O-N 3.01Å; A240-E244 PolarHBondContact O-N 3.43Å |
| 241 | R | 93 | Very high | 93.1 | Very high | 51 Ų | 51 | 42.9 Ų | 42.9 | 19% | 0.192 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.1 | -44.4 | 177.3 | -168.2 | 171.7 | 69.4 | 137.7 | 4.7 | 112 | I218 E221 K237 E238 | I218-R241 HydrophobicContact CD1-CG 4.11Å; I218-R241 HydrophobicContact CG2-CG 4.43Å; E221-R241 IonicContact OE2-CZ 2.88Å; E221-R241 IonicContact OE2-NH1 2.68Å; E221-R241 PolarHBondContact OE2-NH1 3.35Å; E221-R241 IonicContact OE2-NH2 3.35Å; E221-R241 PolarHBondContact OE2-NH2 3.09Å; K237-R241 WeakPolarHBondContact O-CB 3.36Å; K237-R241 PolarHBondContact O-N 2.98Å; E238-R241 PolarHBondContact O-N 3.46Å; E238-R241 IonicContact OE2-CZ 3.07Å; E238-R241 IonicContact OE2-NE 2.79Å; E238-R241 PolarHBondContact OE2-NE 2.91Å; E238-R241 IonicContact OE2-NH2 2.83Å; E238-R241 PolarHBondContact OE2-NH2 3.42Å |
| 242 | Y | 94.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66 | -46.8 | 174.9 | -179.8 | -111.8 | 0 | 0 | 0 | 112.3 | A215 A219 E238 A240 E244 Q245 L246 R763 F767 | A215-Y242 HydrophobicContact CB-CD2 4.02Å; A215-Y242 HydrophobicContact CB-CE2 3.72Å; A215-Y242 VanDerWaalsContact O-CD2 3.29Å; A215-Y242 WeakPolarHBondContact O-CD2 3Å; A215-Y242 VanDerWaalsContact O-CE2 3.23Å; A215-Y242 WeakPolarHBondContact O-CE2 3.26Å; A219-Y242 HydrophobicContact CB-CD2 4.12Å; A219-Y242 HydrophobicContact CB-CE2 3.81Å; E238-Y242 WeakPolarHBondContact O-CB 3.47Å; E238-Y242 PolarHBondContact O-N 3.12Å; A240-Y242 VanDerWaalsContact C-N 3.34Å; A240-Y242 PolarHBondContact O-N 3.37Å; Y242-E244 VanDerWaalsContact C-N 3.31Å; Y242-E244 PolarHBondContact O-N 2.99Å; Y242-Q245 PolarHBondContact O-N 2.72Å; Y242-Q245 VanDerWaalsContact O-N 3.16Å; Y242-L246 HydrophobicContact CD1-CD1 3.92Å; Y242-L246 HydrophobicContact CD1-CG 4.29Å; Y242-L246 HydrophobicContact CE1-CD1 3.53Å; Y242-L246 HydrophobicContact CE1-CD2 4.21Å; Y242-L246 HydrophobicContact CE1-CG 4Å; Y242-L246 HydrophobicContact CE2-CD2 4.34Å; Y242-L246 PolarHBondContact O-N 2.69Å; Y242-L246 VanDerWaalsContact O-N 3.1Å; Y242-R763 HydrophobicContact CE1-CB 4.3Å; Y242-F767 HydrophobicContact CD1-CB 3.87Å; Y242-F767 AromaticContact CD1-CD1 3.45Å; Y242-F767 HydrophobicContact CD1-CD1 3.45Å; Y242-F767 VanDerWaalsContact CD1-CD1 3.45Å; Y242-F767 HydrophobicContact CD1-CD2 4.5Å; Y242-F767 HydrophobicContact CD1-CE1 4.06Å; Y242-F767 AromaticContact CD1-CG 3.7Å; Y242-F767 HydrophobicContact CD1-CG 3.7Å; Y242-F767 HydrophobicContact CE1-CB 3.69Å; Y242-F767 HydrophobicContact CE1-CD1 4.14Å; Y242-F767 AromaticContact CE1-CG 3.89Å; Y242-F767 HydrophobicContact CE1-CG 3.89Å; Y242-F767 AromaticContact CG-CD1 3.78Å; Y242-F767 HydrophobicContact CG-CD1 3.78Å; Y242-F767 AromaticContact CG-CE1 3.88Å; Y242-F767 HydrophobicContact CG-CE1 3.88Å; Y242-F767 HydrophobicContact CG-CG 4.22Å; Y242-F767 HydrophobicContact CG-CZ 4.41Å |
| 243 | S | 94.8 | Very high | 93 | Very high | 28 Ų | 28 | 43.1 Ų | 43.1 | 20% | 0.196 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.6 | -33.3 | -177 | -62.8 | 0 | 0 | 0 | 0 | 112.9 | L239 A240 L246 V247 S764 | L239-S243 WeakPolarHBondContact O-CB 3.27Å; L239-S243 PolarHBondContact O-N 2.99Å; L239-S243 PolarHBondContact O-OG 3.36Å; A240-S243 PolarHBondContact O-N 3.01Å; S243-L246 PolarHBondContact O-N 3.47Å; S243-V247 PolarHBondContact O-N 3Å; S243-S764 PolarHBondContact OG-OG 3.41Å |
| 244 | E | 94.1 | Very high | 93.1 | Very high | 117 Ų | 117 | 43 Ų | 43 | 55% | 0.547 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.8 | -45.2 | 172.9 | -168.8 | -173.6 | 173.8 | 0 | 0 | 111.4 | A240 Y242 L246 V247 F248 | A240-E244 PolarHBondContact O-N 3.43Å; Y242-E244 VanDerWaalsContact C-N 3.31Å; Y242-E244 PolarHBondContact O-N 2.99Å; E244-L246 VanDerWaalsContact C-N 3.3Å; E244-L246 PolarHBondContact O-N 2.76Å; E244-V247 WeakPolarHBondContact O-CB 3.48Å; E244-V247 PolarHBondContact O-N 2.93Å; E244-V247 VanDerWaalsContact O-N 3.13Å; E244-F248 HydrophobicContact CG-CE2 4.42Å; E244-F248 WeakPolarHBondContact O-CD2 3.18Å |
| 245 | Q | 92.9 | Very high | 93.1 | Very high | 36 Ų | 36 | 50.6 Ų | 50.6 | 17% | 0.168 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.6 | -31.7 | 177.1 | -66.5 | -53.6 | -44.5 | 0 | 0 | 112.9 | A215 I218 Y242 V247 F248 A249 | A215-Q245 HydrophobicContact CB-CB 3.79Å; I218-Q245 HydrophobicContact CD1-CB 4.32Å; I218-Q245 HydrophobicContact CD1-CG 3.47Å; I218-Q245 VanDerWaalsContact CD1-CG 3.47Å; Y242-Q245 PolarHBondContact O-N 2.72Å; Y242-Q245 VanDerWaalsContact O-N 3.16Å; Q245-V247 VanDerWaalsContact C-N 3.27Å; Q245-V247 PolarHBondContact O-N 2.93Å; Q245-F248 PolarHBondContact O-N 3.34Å; Q245-A249 PolarHBondContact O-N 3.43Å |
| 246 | L | 93.6 | Very high | 93 | Very high | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.8 | -29 | 174 | -67 | -179.8 | 0 | 0 | 0 | 113.2 | Y212 A215 Y242 S243 E244 F248 A249 E250 K760 R763 | Y212-L246 HydrophobicContact CD2-CD2 4.43Å; Y212-L246 HydrophobicContact CE2-CD2 4.34Å; A215-L246 HydrophobicContact CB-CD2 3.94Å; A215-L246 HydrophobicContact CB-CG 4.5Å; Y242-L246 HydrophobicContact CD1-CD1 3.92Å; Y242-L246 HydrophobicContact CD1-CG 4.29Å; Y242-L246 HydrophobicContact CE1-CD1 3.53Å; Y242-L246 HydrophobicContact CE1-CD2 4.21Å; Y242-L246 HydrophobicContact CE1-CG 4Å; Y242-L246 HydrophobicContact CE2-CD2 4.34Å; Y242-L246 PolarHBondContact O-N 2.69Å; Y242-L246 VanDerWaalsContact O-N 3.1Å; S243-L246 PolarHBondContact O-N 3.47Å; E244-L246 VanDerWaalsContact C-N 3.3Å; E244-L246 PolarHBondContact O-N 2.76Å; L246-F248 VanDerWaalsContact C-N 3.29Å; L246-F248 PolarHBondContact O-N 3.06Å; L246-A249 PolarHBondContact O-N 2.75Å; L246-E250 PolarHBondContact O-N 2.84Å; L246-K760 HydrophobicContact CB-CG 4.04Å; L246-K760 HydrophobicContact CD1-CG 4.35Å; L246-R763 HydrophobicContact CD1-CB 3.75Å; L246-R763 HydrophobicContact CD2-CB 4.19Å |
| 247 | V | 94.9 | Very high | 92.8 | Very high | 43 Ų | 43 | 46.9 Ų | 46.9 | 26% | 0.261 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.4 | -37.3 | 176.4 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | S243 E244 Q245 K251 | S243-V247 PolarHBondContact O-N 3Å; E244-V247 WeakPolarHBondContact O-CB 3.48Å; E244-V247 PolarHBondContact O-N 2.93Å; E244-V247 VanDerWaalsContact O-N 3.13Å; Q245-V247 VanDerWaalsContact C-N 3.27Å; Q245-V247 PolarHBondContact O-N 2.93Å; V247-K251 HydrophobicContact CG1-CD 4.41Å; V247-K251 WeakPolarHBondContact O-CG 3.46Å; V247-K251 PolarHBondContact O-N 3.44Å; V247-K251 VanDerWaalsContact O-N 3.09Å |
| 248 | F | 92.2 | Very high | 92.8 | Very high | 91 Ų | 91 | 44.2 Ų | 44.2 | 40% | 0.399 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.5 | -40.3 | 176.5 | -65 | -79.7 | 0 | 0 | 0 | 111.5 | E244 Q245 L246 K251 V252 | E244-F248 HydrophobicContact CG-CE2 4.42Å; E244-F248 WeakPolarHBondContact O-CD2 3.18Å; Q245-F248 PolarHBondContact O-N 3.34Å; L246-F248 VanDerWaalsContact C-N 3.29Å; L246-F248 PolarHBondContact O-N 3.06Å; F248-K251 PolarHBondContact O-N 2.82Å; F248-V252 WeakPolarHBondContact O-CG2 3.37Å; F248-V252 PolarHBondContact O-N 3.47Å |
| 249 | A | 91 | Very high | 92.6 | Very high | 5 Ų | 5 | 45.3 Ų | 45.3 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.4 | -46.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A211 Q245 L246 K251 V252 G253 | A211-A249 HydrophobicContact CB-CB 4.33Å; Q245-A249 PolarHBondContact O-N 3.43Å; L246-A249 PolarHBondContact O-N 2.75Å; A249-K251 VanDerWaalsContact C-N 3.34Å; A249-K251 PolarHBondContact O-N 2.98Å; A249-V252 PolarHBondContact O-N 3.41Å; A249-V252 VanDerWaalsContact O-N 3.17Å; A249-G253 PolarHBondContact O-N 3.49Å |
| 250 | E | 93.4 | Very high | 92.3 | Very high | 32 Ų | 32 | 46.3 Ų | 46.3 | 15% | 0.15 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -54.4 | -46.6 | 175.9 | -177.6 | -166.4 | 168.2 | 0 | 0 | 111.7 | L246 V252 G253 L254 E756 K757 K760 | L246-E250 PolarHBondContact O-N 2.84Å; E250-V252 VanDerWaalsContact C-N 3.35Å; E250-V252 PolarHBondContact O-N 2.89Å; E250-G253 PolarHBondContact O-N 3.47Å; E250-L254 WeakPolarHBondContact O-CB 3.29Å; E250-L254 PolarHBondContact O-N 3.2Å; E250-E756 HydrophobicContact CG-CB 4.09Å; E250-K757 VanDerWaalsContact OE1-CG 3.3Å; E250-K757 WeakPolarHBondContact OE1-CG 3.33Å; E250-K760 HydrophobicContact CB-CD 4.41Å; E250-K760 WeakPolarHBondContact OE2-CD 3.3Å; E250-K760 IonicContact OE2-NZ 2.72Å; E250-K760 PolarHBondContact OE2-NZ 3.21Å |
| 251 | K | 93.7 | Very high | 92 | Very high | 123 Ų | 123 | 43.8 Ų | 43.8 | 54% | 0.535 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.3 | -38.8 | 179.7 | -75.1 | 175.4 | -179.1 | 175.6 | 0 | 112.6 | V247 F248 A249 R255 | V247-K251 HydrophobicContact CG1-CD 4.41Å; V247-K251 WeakPolarHBondContact O-CG 3.46Å; V247-K251 PolarHBondContact O-N 3.44Å; V247-K251 VanDerWaalsContact O-N 3.09Å; F248-K251 PolarHBondContact O-N 2.82Å; A249-K251 VanDerWaalsContact C-N 3.34Å; A249-K251 PolarHBondContact O-N 2.98Å; K251-R255 WeakPolarHBondContact O-CG 3.48Å; K251-R255 PolarHBondContact O-N 3.31Å |
| 252 | V | 92.6 | Very high | 91.9 | Very high | 18 Ų | 18 | 41.9 Ų | 41.9 | 11% | 0.109 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -71.3 | -43.7 | 177.7 | 175.9 | 0 | 0 | 0 | 0 | 110.7 | K207 E208 A211 F248 A249 E250 L254 R255 K256 | K207-V252 HydrophobicContact CB-CG1 3.93Å; K207-V252 HydrophobicContact CD-CG1 4.25Å; K207-V252 HydrophobicContact CD-CG2 4.45Å; K207-V252 HydrophobicContact CG-CG1 3.85Å; K207-V252 HydrophobicContact CG-CG2 4.22Å; E208-V252 HydrophobicContact CB-CG1 4.09Å; A211-V252 HydrophobicContact CB-CG2 4.2Å; F248-V252 WeakPolarHBondContact O-CG2 3.37Å; F248-V252 PolarHBondContact O-N 3.47Å; A249-V252 PolarHBondContact O-N 3.41Å; A249-V252 VanDerWaalsContact O-N 3.17Å; E250-V252 VanDerWaalsContact C-N 3.35Å; E250-V252 PolarHBondContact O-N 2.89Å; V252-L254 VanDerWaalsContact C-N 3.34Å; V252-L254 PolarHBondContact O-N 3.5Å; V252-R255 PolarHBondContact O-N 3.46Å; V252-K256 PolarHBondContact O-N 3.27Å |
| 253 | G | 89.9 | Confident | 91.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.8 | -37.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A249 E250 K256 S257 E756 | A249-G253 PolarHBondContact O-N 3.49Å; E250-G253 PolarHBondContact O-N 3.47Å; G253-K256 WeakPolarHBondContact O-CB 3.09Å; G253-K256 PolarHBondContact O-N 3.41Å; G253-S257 PolarHBondContact O-N 3.38Å; G253-S257 PolarHBondContact O-OG 3.31Å; G253-S257 VanDerWaalsContact O-OG 3.08Å; G253-E756 WeakPolarHBondContact CA-OE1 3.43Å |
| 254 | L | 91.5 | Very high | 91.1 | Very high | 38 Ų | 38 | 43.6 Ų | 43.6 | 20% | 0.199 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.7 | -43.2 | 174.8 | 177.4 | 59.1 | 0 | 0 | 0 | 112 | E250 V252 K256 S257 T258 F749 K753 | E250-L254 WeakPolarHBondContact O-CB 3.29Å; E250-L254 PolarHBondContact O-N 3.2Å; V252-L254 VanDerWaalsContact C-N 3.34Å; V252-L254 PolarHBondContact O-N 3.5Å; L254-K256 VanDerWaalsContact C-N 3.33Å; L254-S257 PolarHBondContact O-N 2.69Å; L254-T258 WeakPolarHBondContact O-CB 3.39Å; L254-T258 PolarHBondContact O-N 3.33Å; L254-T258 PolarHBondContact O-OG1 3.12Å; L254-F749 HydrophobicContact CD1-CD2 4.1Å; L254-F749 HydrophobicContact CD1-CE2 4.24Å; L254-F749 HydrophobicContact CD2-CE2 4.35Å; L254-K753 HydrophobicContact CD1-CB 3.73Å; L254-K753 HydrophobicContact CD1-CG 4.36Å |
| 255 | R | 92.7 | Very high | 90.9 | Very high | 159 Ų | 159 | 38 Ų | 38 | 60% | 0.6 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -63.6 | -40.6 | 176.2 | -72.3 | 179.7 | -178.4 | -172.8 | 2.2 | 111.4 | F204 K251 V252 A259 | F204-R255 HydrophobicContact CD1-CB 4.3Å; F204-R255 HydrophobicContact CE1-CB 3.65Å; F204-R255 HydrophobicContact CZ-CB 4.21Å; K251-R255 WeakPolarHBondContact O-CG 3.48Å; K251-R255 PolarHBondContact O-N 3.31Å; V252-R255 PolarHBondContact O-N 3.46Å; R255-A259 VanDerWaalsContact O-CB 3.26Å; R255-A259 WeakPolarHBondContact O-CB 3.32Å; R255-A259 PolarHBondContact O-N 3.46Å |
| 256 | K | 90.5 | Very high | 90.8 | Very high | 43 Ų | 43 | 37.4 Ų | 37.4 | 19% | 0.187 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.3 | -55.6 | 173 | -177.4 | -174.6 | 175.5 | -170.8 | 0 | 110.8 | F204 E208 V252 G253 L254 T258 A259 T260 | F204-K256 HydrophobicContact CB-CB 3.76Å; F204-K256 HydrophobicContact CB-CD 4.37Å; F204-K256 HydrophobicContact CB-CG 3.77Å; F204-K256 HydrophobicContact CD1-CB 4.43Å; F204-K256 HydrophobicContact CG-CB 4.14Å; E208-K256 WeakPolarHBondContact OE2-CD 3.3Å; E208-K256 WeakPolarHBondContact OE2-CE 2.96Å; E208-K256 IonicContact OE2-NZ 3.32Å; E208-K256 PolarHBondContact OE2-NZ 3.32Å; V252-K256 PolarHBondContact O-N 3.27Å; G253-K256 WeakPolarHBondContact O-CB 3.09Å; G253-K256 PolarHBondContact O-N 3.41Å; L254-K256 VanDerWaalsContact C-N 3.33Å; K256-T258 VanDerWaalsContact C-N 3.31Å; K256-T258 PolarHBondContact O-N 2.6Å; K256-A259 PolarHBondContact O-N 2.94Å; K256-A259 VanDerWaalsContact O-N 3.16Å; K256-T260 PolarHBondContact O-N 2.9Å; K256-T260 PolarHBondContact O-OG1 2.76Å |
| 257 | S | 88.4 | Confident | 90.4 | Very high | 27 Ų | 27 | 38.7 Ų | 38.7 | 19% | 0.189 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.8 | -40.7 | -176.9 | -62.3 | 0 | 0 | 0 | 0 | 112.8 | G253 L254 G261 | G253-S257 PolarHBondContact O-N 3.38Å; G253-S257 PolarHBondContact O-OG 3.31Å; G253-S257 VanDerWaalsContact O-OG 3.08Å; L254-S257 PolarHBondContact O-N 2.69Å; S257-G261 PolarHBondContact O-N 3.4Å |
| 258 | T | 91.5 | Very high | 89.9 | Confident | 38 Ų | 38 | 36.9 Ų | 36.9 | 23% | 0.233 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.6 | -44.3 | 176.5 | -50.9 | 0 | 0 | 0 | 0 | 111.4 | L254 K256 G261 G262 F749 | L254-T258 WeakPolarHBondContact O-CB 3.39Å; L254-T258 PolarHBondContact O-N 3.33Å; L254-T258 PolarHBondContact O-OG1 3.12Å; K256-T258 VanDerWaalsContact C-N 3.31Å; K256-T258 PolarHBondContact O-N 2.6Å; T258-G261 PolarHBondContact O-N 3.44Å; T258-G262 PolarHBondContact O-N 3.39Å; T258-F749 HydrophobicContact CG2-CB 4.33Å; T258-F749 HydrophobicContact CG2-CD2 4.36Å |
| 259 | A | 91 | Very high | 89.9 | Confident | 25 Ų | 25 | 34.7 Ų | 34.7 | 21% | 0.207 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65 | -41.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I200 F204 R255 K256 G262 V263 | I200-A259 HydrophobicContact CG2-CB 3.57Å; F204-A259 HydrophobicContact CD2-CB 4.21Å; F204-A259 HydrophobicContact CE2-CB 3.78Å; R255-A259 VanDerWaalsContact O-CB 3.26Å; R255-A259 WeakPolarHBondContact O-CB 3.32Å; R255-A259 PolarHBondContact O-N 3.46Å; K256-A259 PolarHBondContact O-N 2.94Å; K256-A259 VanDerWaalsContact O-N 3.16Å; A259-G262 PolarHBondContact O-N 2.64Å; A259-V263 VanDerWaalsContact O-CG2 3.29Å; A259-V263 WeakPolarHBondContact O-CG2 3.29Å; A259-V263 PolarHBondContact O-N 3.12Å |
| 260 | T | 86.7 | Confident | 89.7 | Confident | 35 Ų | 35 | 35.4 Ų | 35.4 | 22% | 0.215 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.2 | -48.4 | 174.5 | -55.8 | 0 | 0 | 0 | 0 | 111 | F197 M201 K256 G262 V263 T264 | F197-T260 HydrophobicContact CE2-CG2 4.23Å; M201-T260 HydrophobicContact SD-CG2 4.11Å; M201-T260 PolarHBondContact SD-OG1 2.76Å; K256-T260 PolarHBondContact O-N 2.9Å; K256-T260 PolarHBondContact O-OG1 2.76Å; T260-G262 VanDerWaalsContact C-N 3.34Å; T260-G262 PolarHBondContact O-N 3.01Å; T260-V263 PolarHBondContact O-N 2.82Å; T260-T264 WeakPolarHBondContact O-CB 3.47Å; T260-T264 PolarHBondContact O-N 3.45Å; T260-T264 PolarHBondContact O-OG1 3.15Å; T260-T264 VanDerWaalsContact O-OG1 3.05Å |
| 261 | G | 88.5 | Confident | 89.3 | Confident | 8 Ų | 8 | 35.9 Ų | 35.9 | 8% | 0.082 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.8 | -39.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S257 T258 G265 S744 | S257-G261 PolarHBondContact O-N 3.4Å; T258-G261 PolarHBondContact O-N 3.44Å; G261-G265 PolarHBondContact O-N 2.96Å; G261-S744 CarbonylContact O-C 3.6Å; G261-S744 PolarHBondContact O-OG 3.15Å |
| 262 | G | 91.1 | Very high | 89.1 | Confident | 11 Ų | 11 | 30.3 Ų | 30.3 | 11% | 0.113 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.8 | -44 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | T258 A259 T260 G265 A266 | T258-G262 PolarHBondContact O-N 3.39Å; A259-G262 PolarHBondContact O-N 2.64Å; T260-G262 VanDerWaalsContact C-N 3.34Å; T260-G262 PolarHBondContact O-N 3.01Å; G262-G265 PolarHBondContact O-N 3.42Å; G262-A266 WeakPolarHBondContact O-CB 3.3Å; G262-A266 PolarHBondContact O-N 3.38Å |
| 263 | V | 87.6 | Confident | 89 | Confident | 13 Ų | 13 | 31.5 Ų | 31.5 | 8% | 0.079 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -70.3 | -40 | 178.9 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | V193 F197 I200 A259 T260 G265 A266 I267 | V193-V263 HydrophobicContact CG1-CG1 4.22Å; F197-V263 HydrophobicContact CB-CG1 3.52Å; F197-V263 HydrophobicContact CD2-CB 4.13Å; F197-V263 HydrophobicContact CD2-CG1 3.71Å; F197-V263 HydrophobicContact CG-CG1 4.11Å; I200-V263 HydrophobicContact CD1-CG2 3.61Å; A259-V263 VanDerWaalsContact O-CG2 3.29Å; A259-V263 WeakPolarHBondContact O-CG2 3.29Å; A259-V263 PolarHBondContact O-N 3.12Å; T260-V263 PolarHBondContact O-N 2.82Å; V263-G265 VanDerWaalsContact C-N 3.28Å; V263-G265 PolarHBondContact O-N 3.36Å; V263-A266 WeakPolarHBondContact O-CB 3.18Å; V263-A266 PolarHBondContact O-N 2.61Å; V263-A266 VanDerWaalsContact O-N 3.11Å; V263-I267 HydrophobicContact CG1-CD1 4.43Å; V263-I267 WeakPolarHBondContact O-CG1 3.25Å; V263-I267 PolarHBondContact O-N 3.17Å |
| 264 | T | 85.1 | Confident | 89 | Confident | 50 Ų | 50 | 32 Ų | 32 | 31% | 0.307 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -60.5 | -40 | 173.1 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | T260 I267 G268 | T260-T264 WeakPolarHBondContact O-CB 3.47Å; T260-T264 PolarHBondContact O-N 3.45Å; T260-T264 PolarHBondContact O-OG1 3.15Å; T260-T264 VanDerWaalsContact O-OG1 3.05Å; T264-I267 PolarHBondContact O-N 3.31Å; T264-G268 PolarHBondContact O-N 2.95Å |
| 265 | G | 89.9 | Confident | 88.8 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.4 | -43.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G261 G262 V263 I267 G268 L269 S744 | G261-G265 PolarHBondContact O-N 2.96Å; G262-G265 PolarHBondContact O-N 3.42Å; V263-G265 VanDerWaalsContact C-N 3.28Å; V263-G265 PolarHBondContact O-N 3.36Å; G265-I267 VanDerWaalsContact C-N 3.35Å; G265-I267 PolarHBondContact O-N 3.34Å; G265-G268 PolarHBondContact O-N 3.33Å; G265-G268 VanDerWaalsContact O-N 3.17Å; G265-L269 PolarHBondContact O-N 3.08Å; G265-S744 PolarHBondContact N-OG 3.45Å |
| 266 | A | 90.3 | Very high | 88.8 | Confident | 23 Ų | 23 | 22.9 Ų | 22.9 | 19% | 0.19 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.1 | -39.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V193 G262 V263 G268 L269 T270 F741 | V193-A266 HydrophobicContact CG1-CB 3.88Å; G262-A266 WeakPolarHBondContact O-CB 3.3Å; G262-A266 PolarHBondContact O-N 3.38Å; V263-A266 WeakPolarHBondContact O-CB 3.18Å; V263-A266 PolarHBondContact O-N 2.61Å; V263-A266 VanDerWaalsContact O-N 3.11Å; A266-G268 VanDerWaalsContact C-N 3.31Å; A266-G268 PolarHBondContact O-N 2.88Å; A266-L269 PolarHBondContact O-N 2.89Å; A266-T270 PolarHBondContact O-N 3.35Å; A266-T270 PolarHBondContact O-OG1 3.41Å; A266-F741 HydrophobicContact CB-CD2 4.4Å; A266-F741 HydrophobicContact CB-CE2 4.16Å |
| 267 | I | 85.8 | Confident | 88.8 | Confident | 31 Ų | 31 | 23.6 Ų | 23.6 | 16% | 0.159 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.6 | -47.8 | 172.7 | -66.6 | 168.1 | 0 | 0 | 0 | 109.8 | V193 F194 V263 T264 G265 T270 I271 | V193-I267 HydrophobicContact CG1-CB 4.45Å; V193-I267 HydrophobicContact CG1-CG1 3.54Å; F194-I267 HydrophobicContact CD1-CD1 4.18Å; F194-I267 HydrophobicContact CE1-CD1 3.95Å; F194-I267 HydrophobicContact CE2-CG2 4.2Å; F194-I267 HydrophobicContact CZ-CD1 4.29Å; F194-I267 HydrophobicContact CZ-CG2 3.91Å; V263-I267 HydrophobicContact CG1-CD1 4.43Å; V263-I267 WeakPolarHBondContact O-CG1 3.25Å; V263-I267 PolarHBondContact O-N 3.17Å; T264-I267 PolarHBondContact O-N 3.31Å; G265-I267 VanDerWaalsContact C-N 3.35Å; G265-I267 PolarHBondContact O-N 3.34Å; I267-T270 PolarHBondContact O-N 3.42Å; I267-I271 HydrophobicContact CG2-CD1 3.99Å; I267-I271 VanDerWaalsContact O-CG1 3.27Å; I267-I271 WeakPolarHBondContact O-CG1 3.13Å; I267-I271 PolarHBondContact O-N 3.22Å; I267-I271 VanDerWaalsContact O-N 3.16Å |
| 268 | G | 85 | Confident | 89 | Confident | 5 Ų | 5 | 22.5 Ų | 22.5 | 5% | 0.052 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.6 | -52.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | T264 G265 A266 T270 I271 F272 | T264-G268 PolarHBondContact O-N 2.95Å; G265-G268 PolarHBondContact O-N 3.33Å; G265-G268 VanDerWaalsContact O-N 3.17Å; A266-G268 VanDerWaalsContact C-N 3.31Å; A266-G268 PolarHBondContact O-N 2.88Å; G268-T270 PolarHBondContact O-N 3.43Å; G268-I271 WeakPolarHBondContact O-CB 3.22Å; G268-I271 PolarHBondContact O-N 3.27Å; G268-I271 VanDerWaalsContact O-N 3.13Å; G268-F272 WeakPolarHBondContact O-CD2 3.4Å; G268-F272 PolarHBondContact O-N 2.92Å |
| 269 | L | 91.1 | Very high | 89 | Confident | 44 Ų | 44 | 20.7 Ų | 20.7 | 23% | 0.23 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -55.3 | -48.3 | 179.7 | 179.1 | 63.9 | 0 | 0 | 0 | 112.3 | G265 A266 I271 F272 C273 V738 F741 | G265-L269 PolarHBondContact O-N 3.08Å; A266-L269 PolarHBondContact O-N 2.89Å; L269-I271 VanDerWaalsContact C-N 3.27Å; L269-I271 PolarHBondContact O-N 3.48Å; L269-F272 PolarHBondContact O-N 3.36Å; L269-C273 WeakPolarHBondContact O-CB 3.27Å; L269-C273 PolarHBondContact O-N 2.84Å; L269-C273 PolarHBondContact O-SG 2.87Å; L269-C273 VanDerWaalsContact O-SG 3.34Å; L269-V738 HydrophobicContact CD1-CG2 3.97Å; L269-F741 HydrophobicContact CB-CB 4.28Å; L269-F741 HydrophobicContact CD2-CB 4.44Å; L269-F741 HydrophobicContact CD2-CD2 4.45Å; L269-F741 HydrophobicContact CD2-CG 4.37Å |
| 270 | T | 88.1 | Confident | 89 | Confident | 21 Ų | 21 | 25.1 Ų | 25.1 | 13% | 0.129 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.5 | -38.7 | 179.2 | -54.9 | 0 | 0 | 0 | 0 | 111.5 | V189 V190 A266 I267 G268 S274 | V189-T270 HydrophobicContact CB-CG2 4.4Å; V189-T270 HydrophobicContact CG1-CG2 3.8Å; V190-T270 HydrophobicContact CG2-CG2 3.56Å; A266-T270 PolarHBondContact O-N 3.35Å; A266-T270 PolarHBondContact O-OG1 3.41Å; I267-T270 PolarHBondContact O-N 3.42Å; G268-T270 PolarHBondContact O-N 3.43Å; T270-S274 VanDerWaalsContact O-CB 3.29Å; T270-S274 WeakPolarHBondContact O-CB 3.25Å; T270-S274 PolarHBondContact O-N 2.99Å; T270-S274 PolarHBondContact O-OG 3.25Å; T270-S274 VanDerWaalsContact O-OG 3.13Å |
| 271 | I | 85.1 | Confident | 89.3 | Confident | 41 Ų | 41 | 26.3 Ų | 26.3 | 21% | 0.21 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66 | -42.8 | 177 | -68.2 | 171.1 | 0 | 0 | 0 | 111.7 | I267 G268 L269 S274 S275 L304 | I267-I271 HydrophobicContact CG2-CD1 3.99Å; I267-I271 VanDerWaalsContact O-CG1 3.27Å; I267-I271 WeakPolarHBondContact O-CG1 3.13Å; I267-I271 PolarHBondContact O-N 3.22Å; I267-I271 VanDerWaalsContact O-N 3.16Å; G268-I271 WeakPolarHBondContact O-CB 3.22Å; G268-I271 PolarHBondContact O-N 3.27Å; G268-I271 VanDerWaalsContact O-N 3.13Å; L269-I271 VanDerWaalsContact C-N 3.27Å; L269-I271 PolarHBondContact O-N 3.48Å; I271-S274 PolarHBondContact O-OG 3.44Å; I271-S275 WeakPolarHBondContact O-CB 3.42Å; I271-S275 PolarHBondContact O-N 2.99Å; I271-S275 PolarHBondContact O-OG 3.31Å; I271-L304 HydrophobicContact CB-CD1 4.49Å; I271-L304 HydrophobicContact CG1-CD1 4.25Å; I271-L304 HydrophobicContact CG2-CD1 3.64Å |
| 272 | F | 89.2 | Confident | 89.5 | Confident | 6 Ų | 6 | 26 Ų | 26 | 3% | 0.026 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -70.1 | -41.6 | 178.8 | -66.7 | -64.4 | 0 | 0 | 0 | 112.4 | G268 L269 S275 A276 F702 I736 G737 R740 | G268-F272 WeakPolarHBondContact O-CD2 3.4Å; G268-F272 PolarHBondContact O-N 2.92Å; L269-F272 PolarHBondContact O-N 3.36Å; F272-S275 WeakPolarHBondContact O-CB 3.26Å; F272-S275 PolarHBondContact O-N 3.27Å; F272-A276 WeakPolarHBondContact O-CB 3.22Å; F272-A276 PolarHBondContact O-N 3.28Å; F272-F702 HydrophobicContact CD1-CB 4.23Å; F272-F702 AromaticContact CD1-CD2 3.35Å; F272-F702 HydrophobicContact CD1-CD2 3.35Å; F272-F702 AromaticContact CD1-CE2 3.75Å; F272-F702 HydrophobicContact CD1-CE2 3.75Å; F272-F702 AromaticContact CD1-CG 3.86Å; F272-F702 HydrophobicContact CD1-CG 3.86Å; F272-F702 HydrophobicContact CE1-CB 3.47Å; F272-F702 VanDerWaalsContact CE1-CB 3.47Å; F272-F702 HydrophobicContact CE1-CD1 4.07Å; F272-F702 AromaticContact CE1-CD2 3.41Å; F272-F702 HydrophobicContact CE1-CD2 3.41Å; F272-F702 VanDerWaalsContact CE1-CD2 3.41Å; F272-F702 HydrophobicContact CE1-CE2 4.09Å; F272-F702 AromaticContact CE1-CG 3.38Å; F272-F702 HydrophobicContact CE1-CG 3.38Å; F272-F702 HydrophobicContact CZ-CB 4.34Å; F272-I736 HydrophobicContact CE1-CG2 4.49Å; F272-G737 VanDerWaalsContact CD2-CA 3.46Å; F272-R740 HydrophobicContact CE2-CB 4.48Å; F272-R740 VanDerWaalsContact CE2-CD 3.49Å |
| 273 | C | 90.6 | Very high | 89.4 | Confident | 44 Ų | 44 | 25.5 Ų | 25.5 | 30% | 0.297 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -65 | -40.7 | 176.5 | -68.2 | 0 | 0 | 0 | 0 | 112 | L269 S275 A276 L277 | L269-C273 WeakPolarHBondContact O-CB 3.27Å; L269-C273 PolarHBondContact O-N 2.84Å; L269-C273 PolarHBondContact O-SG 2.87Å; L269-C273 VanDerWaalsContact O-SG 3.34Å; C273-S275 VanDerWaalsContact C-N 3.35Å; C273-A276 PolarHBondContact O-N 3.42Å; C273-L277 PolarHBondContact O-N 2.86Å |
| 274 | S | 88.6 | Confident | 89.5 | Confident | 11 Ų | 11 | 28.9 Ų | 28.9 | 8% | 0.077 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.9 | -40.9 | 175.8 | 68.1 | 0 | 0 | 0 | 0 | 111.3 | T270 I271 L277 I278 | T270-S274 VanDerWaalsContact O-CB 3.29Å; T270-S274 WeakPolarHBondContact O-CB 3.25Å; T270-S274 PolarHBondContact O-N 2.99Å; T270-S274 PolarHBondContact O-OG 3.25Å; T270-S274 VanDerWaalsContact O-OG 3.13Å; I271-S274 PolarHBondContact O-OG 3.44Å; S274-L277 PolarHBondContact O-N 3.36Å; S274-I278 WeakPolarHBondContact O-CB 3.44Å; S274-I278 WeakPolarHBondContact O-CD1 3.49Å; S274-I278 WeakPolarHBondContact O-CG1 3.35Å; S274-I278 PolarHBondContact O-N 3.23Å |
| 275 | S | 88.9 | Confident | 89.8 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.2 | -48.6 | 174.6 | -54 | 0 | 0 | 0 | 0 | 111.7 | I271 F272 C273 L277 I278 F279 F300 | I271-S275 WeakPolarHBondContact O-CB 3.42Å; I271-S275 PolarHBondContact O-N 2.99Å; I271-S275 PolarHBondContact O-OG 3.31Å; F272-S275 WeakPolarHBondContact O-CB 3.26Å; F272-S275 PolarHBondContact O-N 3.27Å; C273-S275 VanDerWaalsContact C-N 3.35Å; S275-L277 VanDerWaalsContact C-N 3.33Å; S275-L277 PolarHBondContact O-N 3.49Å; S275-I278 PolarHBondContact O-N 2.99Å; S275-F279 WeakPolarHBondContact O-CD2 3.31Å; S275-F279 PolarHBondContact O-N 3.29Å; S275-F300 VanDerWaalsContact OG-CE2 3.27Å; S275-F300 WeakPolarHBondContact OG-CE2 3.37Å |
| 276 | A | 91.3 | Very high | 89.8 | Confident | 5 Ų | 5 | 27 Ų | 27 | 4% | 0.041 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.9 | -42.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F272 C273 W280 S730 M733 V734 | F272-A276 WeakPolarHBondContact O-CB 3.22Å; F272-A276 PolarHBondContact O-N 3.28Å; C273-A276 PolarHBondContact O-N 3.42Å; A276-W280 VanDerWaalsContact O-CB 3.25Å; A276-W280 WeakPolarHBondContact O-CB 3.37Å; A276-W280 PolarHBondContact O-N 2.89Å; A276-S730 WeakPolarHBondContact CB-O 3.5Å; A276-S730 PolarHBondContact O-OG 3.24Å; A276-M733 HydrophobicContact CB-CB 4.06Å; A276-V734 HydrophobicContact CB-CG2 3.78Å |
| 277 | L | 91.9 | Very high | 89.6 | Confident | 57 Ų | 57 | 29.1 Ų | 29.1 | 30% | 0.298 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -66.9 | -46.4 | 177.6 | -177.1 | 68.5 | 0 | 0 | 0 | 111.8 | V182 M186 C273 S274 S275 F279 W280 Y281 | V182-L277 HydrophobicContact CG1-CD2 3.92Å; V182-L277 HydrophobicContact CG1-CG 4.12Å; M186-L277 HydrophobicContact CE-CD2 3.23Å; C273-L277 PolarHBondContact O-N 2.86Å; S274-L277 PolarHBondContact O-N 3.36Å; S275-L277 VanDerWaalsContact C-N 3.33Å; S275-L277 PolarHBondContact O-N 3.49Å; L277-F279 PolarHBondContact O-N 3.04Å; L277-W280 HydrophobicContact CD1-CE3 4.33Å; L277-W280 PolarHBondContact O-N 3.36Å; L277-Y281 WeakPolarHBondContact O-CB 3.23Å; L277-Y281 PolarHBondContact O-N 2.96Å |
| 278 | I | 91.1 | Very high | 89.7 | Confident | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.9 | -43 | -178.8 | -67.9 | 165.4 | 0 | 0 | 0 | 110.4 | L179 A183 S274 S275 G282 F300 | L179-I278 HydrophobicContact CD1-CG2 4.14Å; L179-I278 HydrophobicContact CD2-CG2 4.49Å; L179-I278 HydrophobicContact CG-CG2 4.46Å; A183-I278 HydrophobicContact CB-CD1 3.77Å; A183-I278 HydrophobicContact CB-CG1 3.95Å; S274-I278 WeakPolarHBondContact O-CB 3.44Å; S274-I278 WeakPolarHBondContact O-CD1 3.49Å; S274-I278 WeakPolarHBondContact O-CG1 3.35Å; S274-I278 PolarHBondContact O-N 3.23Å; S275-I278 PolarHBondContact O-N 2.99Å; I278-G282 WeakPolarHBondContact O-CA 3.12Å; I278-G282 PolarHBondContact O-N 2.92Å; I278-F300 HydrophobicContact CB-CD2 4.48Å; I278-F300 HydrophobicContact CD1-CD2 4.24Å; I278-F300 HydrophobicContact CG2-CB 3.85Å; I278-F300 HydrophobicContact CG2-CD2 4.27Å |
| 279 | F | 91.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.6 | -41.4 | 178.5 | -66.4 | -52.1 | 0 | 0 | 0 | 113.3 | S275 L277 Y281 G282 I283 V296 I297 F300 Y706 V709 I726 M733 | S275-F279 WeakPolarHBondContact O-CD2 3.31Å; S275-F279 PolarHBondContact O-N 3.29Å; L277-F279 PolarHBondContact O-N 3.04Å; F279-Y281 PolarHBondContact O-N 2.73Å; F279-G282 PolarHBondContact O-N 3.45Å; F279-I283 WeakPolarHBondContact O-CG1 3.23Å; F279-I283 PolarHBondContact O-N 2.96Å; F279-V296 HydrophobicContact CD1-CG1 4.37Å; F279-I297 HydrophobicContact CE1-CD1 3.98Å; F279-F300 HydrophobicContact CE1-CB 4.09Å; F279-F300 AromaticContact CE1-CD1 3.88Å; F279-F300 HydrophobicContact CE1-CD1 3.88Å; F279-F300 HydrophobicContact CE1-CD2 4.39Å; F279-F300 HydrophobicContact CE1-CE1 4.48Å; F279-F300 AromaticContact CE1-CG 3.83Å; F279-F300 HydrophobicContact CE1-CG 3.83Å; F279-F300 HydrophobicContact CE2-CD1 4.3Å; F279-F300 HydrophobicContact CE2-CD2 4.24Å; F279-F300 HydrophobicContact CE2-CE1 4.15Å; F279-F300 HydrophobicContact CE2-CE2 4.11Å; F279-F300 HydrophobicContact CE2-CG 4.34Å; F279-F300 HydrophobicContact CE2-CZ 4.05Å; F279-F300 HydrophobicContact CZ-CB 4.32Å; F279-F300 AromaticContact CZ-CD1 3.36Å; F279-F300 HydrophobicContact CZ-CD1 3.36Å; F279-F300 AromaticContact CZ-CD2 3.9Å; F279-F300 HydrophobicContact CZ-CD2 3.9Å; F279-F300 AromaticContact CZ-CE1 3.53Å; F279-F300 HydrophobicContact CZ-CE1 3.53Å; F279-F300 HydrophobicContact CZ-CE2 4.07Å; F279-F300 AromaticContact CZ-CG 3.55Å; F279-F300 HydrophobicContact CZ-CG 3.55Å; F279-F300 AromaticContact CZ-CZ 3.88Å; F279-F300 HydrophobicContact CZ-CZ 3.88Å; F279-Y706 HydrophobicContact CE1-CD2 4.4Å; F279-Y706 HydrophobicContact CE1-CE2 4.34Å; F279-Y706 AromaticContact CE2-CD2 3.92Å; F279-Y706 HydrophobicContact CE2-CD2 3.92Å; F279-Y706 AromaticContact CZ-CD2 3.47Å; F279-Y706 HydrophobicContact CZ-CD2 3.47Å; F279-Y706 VanDerWaalsContact CZ-CD2 3.47Å; F279-Y706 AromaticContact CZ-CE2 3.67Å; F279-Y706 HydrophobicContact CZ-CE2 3.67Å; F279-V709 HydrophobicContact CD1-CG1 4.04Å; F279-V709 HydrophobicContact CD1-CG2 4.5Å; F279-V709 HydrophobicContact CD2-CG2 4.34Å; F279-V709 HydrophobicContact CE1-CG1 4.47Å; F279-V709 HydrophobicContact CG-CG1 4.46Å; F279-V709 HydrophobicContact CG-CG2 4.27Å; F279-I726 HydrophobicContact CB-CD1 3.9Å; F279-M733 HydrophobicContact CD2-CE 3.85Å; F279-M733 HydrophobicContact CD2-SD 3.93Å; F279-M733 HydrophobicContact CE2-CE 3.99Å; F279-M733 HydrophobicContact CE2-SD 4.35Å |
| 280 | W | 92 | Very high | 89.2 | Confident | 118 Ų | 118 | 40.3 Ų | 40.3 | 45% | 0.447 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.2 | -49 | 177 | 176.2 | 75.6 | 0 | 0 | 0 | 111.6 | A276 L277 K284 | A276-W280 VanDerWaalsContact O-CB 3.25Å; A276-W280 WeakPolarHBondContact O-CB 3.37Å; A276-W280 PolarHBondContact O-N 2.89Å; L277-W280 HydrophobicContact CD1-CE3 4.33Å; L277-W280 PolarHBondContact O-N 3.36Å; W280-K284 PolarHBondContact O-N 3.48Å |
| 281 | Y | 92.4 | Very high | 89.1 | Confident | 61 Ų | 61 | 40.7 Ų | 40.7 | 24% | 0.239 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -71.5 | -33.8 | 177.9 | -169.2 | -110.9 | 0 | 0 | 0 | 112.5 | L179 V182 L277 F279 K284 L285 | L179-Y281 HydrophobicContact CD1-CD1 3.77Å; V182-Y281 HydrophobicContact CB-CD1 4.19Å; V182-Y281 HydrophobicContact CB-CE1 4.44Å; V182-Y281 HydrophobicContact CG1-CD1 4.39Å; V182-Y281 HydrophobicContact CG2-CD1 3.7Å; V182-Y281 HydrophobicContact CG2-CE1 3.55Å; V182-Y281 HydrophobicContact CG2-CG 4.43Å; L277-Y281 WeakPolarHBondContact O-CB 3.23Å; L277-Y281 PolarHBondContact O-N 2.96Å; F279-Y281 PolarHBondContact O-N 2.73Å; Y281-K284 WeakPolarHBondContact O-CB 3.27Å; Y281-K284 PolarHBondContact O-N 2.74Å; Y281-L285 HydrophobicContact CD1-CD1 3.74Å; Y281-L285 HydrophobicContact CD1-CG 4.21Å; Y281-L285 HydrophobicContact CE1-CD1 3.44Å; Y281-L285 VanDerWaalsContact CE1-CD1 3.44Å; Y281-L285 HydrophobicContact CE1-CD2 4.29Å; Y281-L285 HydrophobicContact CE1-CG 3.88Å; Y281-L285 WeakPolarHBondContact O-CG 3.33Å; Y281-L285 PolarHBondContact O-N 3.26Å |
| 282 | G | 92 | Very high | 89.2 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.1 | -41.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | I278 F279 L285 M286 | I278-G282 WeakPolarHBondContact O-CA 3.12Å; I278-G282 PolarHBondContact O-N 2.92Å; F279-G282 PolarHBondContact O-N 3.45Å; G282-L285 PolarHBondContact O-N 2.59Å; G282-M286 PolarHBondContact O-N 2.77Å |
| 283 | I | 90.2 | Very high | 89.1 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.8 | -39.7 | 173.8 | -68.2 | -68.7 | 0 | 0 | 0 | 110.9 | F279 L285 M286 I287 I712 F713 M722 I726 | F279-I283 WeakPolarHBondContact O-CG1 3.23Å; F279-I283 PolarHBondContact O-N 2.96Å; I283-L285 PolarHBondContact O-N 3.08Å; I283-M286 HydrophobicContact CD1-CE 4.32Å; I283-M286 WeakPolarHBondContact O-CB 3.38Å; I283-M286 PolarHBondContact O-N 3.31Å; I283-M286 VanDerWaalsContact O-N 3.11Å; I283-I287 HydrophobicContact CG2-CD1 4.12Å; I283-I287 WeakPolarHBondContact O-CG1 3.36Å; I283-I287 PolarHBondContact O-N 3.17Å; I283-I287 VanDerWaalsContact O-N 3.08Å; I283-I712 HydrophobicContact CD1-CG2 3.83Å; I283-F713 HydrophobicContact CD1-CD1 3.59Å; I283-F713 HydrophobicContact CD1-CE1 3.36Å; I283-F713 HydrophobicContact CD1-CZ 4.5Å; I283-F713 HydrophobicContact CG1-CE1 4.47Å; I283-M722 HydrophobicContact CD1-CE 4.45Å; I283-M722 HydrophobicContact CG2-CB 4.35Å; I283-M722 HydrophobicContact CG2-CE 4.28Å; I283-I726 HydrophobicContact CB-CB 4.31Å; I283-I726 HydrophobicContact CB-CG1 4.1Å; I283-I726 HydrophobicContact CB-CG2 4.15Å; I283-I726 HydrophobicContact CG1-CB 4.13Å; I283-I726 HydrophobicContact CG1-CD1 4.01Å; I283-I726 HydrophobicContact CG1-CG1 3.77Å; I283-I726 HydrophobicContact CG2-CB 4.27Å; I283-I726 HydrophobicContact CG2-CG2 3.88Å |
| 284 | K | 90.3 | Very high | 89 | Confident | 84 Ų | 84 | 39.8 Ų | 39.8 | 37% | 0.365 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -58.7 | -47 | 174.7 | -175.3 | 178.5 | 177.3 | -180 | 0 | 111.9 | W280 Y281 M286 I287 E288 | W280-K284 PolarHBondContact O-N 3.48Å; Y281-K284 WeakPolarHBondContact O-CB 3.27Å; Y281-K284 PolarHBondContact O-N 2.74Å; K284-M286 VanDerWaalsContact C-N 3.25Å; K284-M286 PolarHBondContact O-N 3.37Å; K284-I287 PolarHBondContact O-N 3.35Å; K284-I287 VanDerWaalsContact O-N 3.14Å; K284-E288 WeakPolarHBondContact CE-OE1 3.21Å; K284-E288 VanDerWaalsContact CE-OE2 3.28Å; K284-E288 WeakPolarHBondContact CE-OE2 3.4Å; K284-E288 HydrophobicContact CG-CG 4.46Å; K284-E288 IonicContact NZ-OE1 3.72Å; K284-E288 PolarHBondContact O-N 2.96Å |
| 285 | L | 90.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.5 | -27.8 | 175 | -74 | 174 | 0 | 0 | 0 | 113.2 | K178 L179 Y281 G282 I283 E289 D290 Y291 | K178-L285 HydrophobicContact CB-CD1 4.24Å; K178-L285 HydrophobicContact CD-CD2 4.29Å; L179-L285 HydrophobicContact CB-CD1 3.81Å; L179-L285 HydrophobicContact CD1-CD1 4.42Å; Y281-L285 HydrophobicContact CD1-CD1 3.74Å; Y281-L285 HydrophobicContact CD1-CG 4.21Å; Y281-L285 HydrophobicContact CE1-CD1 3.44Å; Y281-L285 VanDerWaalsContact CE1-CD1 3.44Å; Y281-L285 HydrophobicContact CE1-CD2 4.29Å; Y281-L285 HydrophobicContact CE1-CG 3.88Å; Y281-L285 WeakPolarHBondContact O-CG 3.33Å; Y281-L285 PolarHBondContact O-N 3.26Å; G282-L285 PolarHBondContact O-N 2.59Å; I283-L285 PolarHBondContact O-N 3.08Å; L285-E289 HydrophobicContact CD2-CG 4.26Å; L285-E289 CarbonylContact O-C 3.59Å; L285-E289 WeakPolarHBondContact O-CA 3.2Å; L285-E289 WeakPolarHBondContact O-CB 3.38Å; L285-E289 PolarHBondContact O-N 2.92Å; L285-D290 PolarHBondContact O-N 3.18Å; L285-Y291 HydrophobicContact CB-CD2 4.02Å; L285-Y291 HydrophobicContact CB-CE2 4.42Å; L285-Y291 HydrophobicContact CB-CG 4.09Å; L285-Y291 HydrophobicContact CD1-CE1 4.34Å; L285-Y291 PolarHBondContact O-N 2.91Å |
| 286 | M | 88.7 | Confident | 89.3 | Confident | 11 Ų | 11 | 39.6 Ų | 39.6 | 5% | 0.054 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -70.2 | -34.6 | 173.8 | -173.4 | 160.9 | 97.2 | 0 | 0 | 112 | G282 I283 K284 D290 Y291 A293 F713 M722 | G282-M286 PolarHBondContact O-N 2.77Å; I283-M286 HydrophobicContact CD1-CE 4.32Å; I283-M286 WeakPolarHBondContact O-CB 3.38Å; I283-M286 PolarHBondContact O-N 3.31Å; I283-M286 VanDerWaalsContact O-N 3.11Å; K284-M286 VanDerWaalsContact C-N 3.25Å; K284-M286 PolarHBondContact O-N 3.37Å; M286-D290 WeakPolarHBondContact O-CA 3.38Å; M286-D290 PolarHBondContact O-N 2.93Å; M286-Y291 WeakPolarHBondContact CG-O 3.13Å; M286-Y291 VanDerWaalsContact SD-O 3.35Å; M286-A293 HydrophobicContact SD-CB 4.4Å; M286-F713 HydrophobicContact CE-CB 4.5Å; M286-F713 HydrophobicContact CE-CD1 3.67Å; M286-F713 HydrophobicContact CE-CE1 4.45Å; M286-F713 HydrophobicContact SD-CD1 3.97Å; M286-F713 HydrophobicContact SD-CE1 4.38Å; M286-M722 HydrophobicContact CE-CE 3.12Å |
| 287 | I | 86.9 | Confident | 89.3 | Confident | 67 Ų | 67 | 39.4 Ų | 39.4 | 34% | 0.344 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -76 | -42 | 176.4 | -63.5 | 165.7 | 0 | 0 | 0 | 111.2 | I283 K284 P719 M722 S723 | I283-I287 HydrophobicContact CG2-CD1 4.12Å; I283-I287 WeakPolarHBondContact O-CG1 3.36Å; I283-I287 PolarHBondContact O-N 3.17Å; I283-I287 VanDerWaalsContact O-N 3.08Å; K284-I287 PolarHBondContact O-N 3.35Å; K284-I287 VanDerWaalsContact O-N 3.14Å; I287-P719 HydrophobicContact CD1-CB 4.43Å; I287-P719 HydrophobicContact CG1-CB 4.4Å; I287-P719 HydrophobicContact CG2-CB 4.04Å; I287-M722 HydrophobicContact CD1-CB 4.3Å; I287-M722 HydrophobicContact CG1-CE 4.42Å; I287-S723 VanDerWaalsContact CD1-OG 3.28Å; I287-S723 WeakPolarHBondContact CD1-OG 3.33Å |
| 288 | E | 87.9 | Confident | 89.4 | Confident | 120 Ų | 120 | 36.7 Ų | 36.7 | 56% | 0.561 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -88.4 | -32.3 | -172.7 | -68.1 | 177 | 172 | 0 | 0 | 113.9 | K284 | K284-E288 WeakPolarHBondContact CE-OE1 3.21Å; K284-E288 VanDerWaalsContact CE-OE2 3.28Å; K284-E288 WeakPolarHBondContact CE-OE2 3.4Å; K284-E288 HydrophobicContact CG-CG 4.46Å; K284-E288 IonicContact NZ-OE1 3.72Å; K284-E288 PolarHBondContact O-N 2.96Å |
| 289 | E | 84.7 | Confident | 89.4 | Confident | 78 Ų | 78 | 36.5 Ų | 36.5 | 36% | 0.364 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -130.3 | 14.2 | -170.1 | -59.3 | -173.1 | -163.1 | 0 | 0 | 113.5 | K178 L285 Y291 | K178-E289 WeakPolarHBondContact CD-OE1 3.49Å; K178-E289 VanDerWaalsContact CD-OE2 3.29Å; K178-E289 WeakPolarHBondContact CD-OE2 3.48Å; K178-E289 WeakPolarHBondContact CE-OE2 3.42Å; K178-E289 IonicContact NZ-OE1 2.57Å; K178-E289 PolarHBondContact NZ-OE1 3.42Å; K178-E289 IonicContact NZ-OE2 2.74Å; K178-E289 PolarHBondContact NZ-OE2 2.93Å; L285-E289 HydrophobicContact CD2-CG 4.26Å; L285-E289 CarbonylContact O-C 3.59Å; L285-E289 WeakPolarHBondContact O-CA 3.2Å; L285-E289 WeakPolarHBondContact O-CB 3.38Å; L285-E289 PolarHBondContact O-N 2.92Å; E289-Y291 HydrophobicContact CB-CD2 3.9Å; E289-Y291 HydrophobicContact CB-CE2 4.07Å; E289-Y291 PolarHBondContact O-N 3.37Å |
| 290 | D | 80.9 | Confident | 89.4 | Confident | 117 Ų | 117 | 36.8 Ų | 36.8 | 63% | 0.626 | 17% | 0.171 | S | C | * | . | trans | 51.8 | 38.9 | 177.3 | -158.5 | 23.8 | 0 | 0 | 0 | 113.8 | L285 M286 N292 | L285-D290 PolarHBondContact O-N 3.18Å; M286-D290 WeakPolarHBondContact O-CA 3.38Å; M286-D290 PolarHBondContact O-N 2.93Å; D290-N292 PolarHBondContact O-N 3.39Å | ||
| 291 | Y | 85.7 | Confident | 89.3 | Confident | 29 Ų | 29 | 32.6 Ų | 32.6 | 11% | 0.114 | 16% | 0.157 | C | C | . | . | trans | -62 | 128.8 | 172.9 | -94.1 | -121.5 | 0 | 0 | 0 | 111.2 | L179 L285 M286 E289 | L179-Y291 HydrophobicContact CB-CE1 4.43Å; L285-Y291 HydrophobicContact CB-CD2 4.02Å; L285-Y291 HydrophobicContact CB-CE2 4.42Å; L285-Y291 HydrophobicContact CB-CG 4.09Å; L285-Y291 HydrophobicContact CD1-CE1 4.34Å; L285-Y291 PolarHBondContact O-N 2.91Å; M286-Y291 WeakPolarHBondContact CG-O 3.13Å; M286-Y291 VanDerWaalsContact SD-O 3.35Å; E289-Y291 HydrophobicContact CB-CD2 3.9Å; E289-Y291 HydrophobicContact CB-CE2 4.07Å; E289-Y291 PolarHBondContact O-N 3.37Å | ||
| 292 | N | 87.2 | Confident | 89.2 | Confident | 71 Ų | 71 | 29.8 Ų | 29.8 | 38% | 0.38 | 15% | 0.146 | S | C | . | . | trans | -64.3 | 141.2 | 173.7 | -75 | -41.5 | 0 | 0 | 0 | 112.9 | D290 G294 S295 V296 | D290-N292 PolarHBondContact O-N 3.39Å; N292-G294 VanDerWaalsContact C-N 3.32Å; N292-G294 PolarHBondContact O-N 3.25Å; N292-S295 WeakPolarHBondContact O-CA 3.49Å; N292-S295 VanDerWaalsContact O-CB 3.22Å; N292-S295 WeakPolarHBondContact O-CB 3.49Å; N292-S295 PolarHBondContact O-N 3.47Å; N292-V296 PolarHBondContact O-N 3.43Å | ||
| 293 | A | 87.7 | Confident | 88.9 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -51.2 | -46.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V63 T67 M286 S295 V296 I297 F713 | V63-A293 HydrophobicContact CG1-CB 4.46Å; T67-A293 HydrophobicContact CG2-CB 4.44Å; M286-A293 HydrophobicContact SD-CB 4.4Å; A293-S295 VanDerWaalsContact C-N 3.26Å; A293-S295 PolarHBondContact O-N 2.86Å; A293-V296 PolarHBondContact O-N 3.24Å; A293-I297 PolarHBondContact O-N 2.74Å; A293-I297 VanDerWaalsContact O-N 3.16Å; A293-F713 HydrophobicContact CB-CB 3.82Å; A293-F713 HydrophobicContact CB-CD1 3.89Å; A293-F713 HydrophobicContact CB-CD2 3.57Å; A293-F713 HydrophobicContact CB-CE1 4.27Å; A293-F713 HydrophobicContact CB-CE2 4.02Å; A293-F713 HydrophobicContact CB-CG 3.51Å; A293-F713 HydrophobicContact CB-CZ 4.33Å |
| 294 | G | 89 | Confident | 88.6 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64 | -28.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | N64 N292 L298 | N64-G294 WeakPolarHBondContact OD1-CA 3.22Å; N64-G294 PolarHBondContact OD1-N 2.89Å; N292-G294 VanDerWaalsContact C-N 3.32Å; N292-G294 PolarHBondContact O-N 3.25Å; G294-L298 VanDerWaalsContact O-CB 3.27Å; G294-L298 WeakPolarHBondContact O-CB 3.39Å; G294-L298 PolarHBondContact O-N 3.2Å |
| 295 | S | 91.3 | Very high | 88.3 | Confident | 8 Ų | 8 | 30 Ų | 30 | 6% | 0.056 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.1 | -41.7 | 174.9 | -63.5 | 0 | 0 | 0 | 0 | 111.5 | K60 V175 N292 A293 L298 I299 | K60-S295 WeakPolarHBondContact CE-OG 2.93Å; V175-S295 VanDerWaalsContact CG1-CB 3.44Å; V175-S295 VanDerWaalsContact CG1-OG 3.29Å; V175-S295 WeakPolarHBondContact CG1-OG 3.49Å; N292-S295 WeakPolarHBondContact O-CA 3.49Å; N292-S295 VanDerWaalsContact O-CB 3.22Å; N292-S295 WeakPolarHBondContact O-CB 3.49Å; N292-S295 PolarHBondContact O-N 3.47Å; A293-S295 VanDerWaalsContact C-N 3.26Å; A293-S295 PolarHBondContact O-N 2.86Å; S295-L298 PolarHBondContact O-N 3.36Å; S295-I299 WeakPolarHBondContact O-CG1 3.44Å; S295-I299 PolarHBondContact O-N 3.16Å; S295-I299 VanDerWaalsContact O-N 3.14Å |
| 296 | V | 92 | Very high | 88.1 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.5 | -46.8 | 176.2 | 178 | 0 | 0 | 0 | 0 | 110.7 | L179 F279 N292 A293 L298 I299 F300 F713 | L179-V296 HydrophobicContact CD2-CB 4.21Å; L179-V296 HydrophobicContact CD2-CG1 4Å; L179-V296 HydrophobicContact CD2-CG2 4.19Å; F279-V296 HydrophobicContact CD1-CG1 4.37Å; N292-V296 PolarHBondContact O-N 3.43Å; A293-V296 PolarHBondContact O-N 3.24Å; V296-L298 PolarHBondContact O-N 3.27Å; V296-I299 PolarHBondContact O-N 3.13Å; V296-F300 WeakPolarHBondContact O-CB 3.05Å; V296-F300 PolarHBondContact O-N 3.05Å; V296-F713 HydrophobicContact CB-CZ 4.36Å; V296-F713 HydrophobicContact CG1-CZ 4.39Å |
| 297 | I | 91.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.2 | -41.8 | 178.5 | -66.2 | -68.5 | 0 | 0 | 0 | 111.8 | F59 V63 F279 A293 F300 I301 Y706 Y710 F713 | F59-I297 HydrophobicContact CD1-CG2 4.1Å; F59-I297 HydrophobicContact CE1-CG2 3.71Å; V63-I297 HydrophobicContact CG1-CG1 4.43Å; V63-I297 HydrophobicContact CG2-CG2 4.44Å; F279-I297 HydrophobicContact CE1-CD1 3.98Å; A293-I297 PolarHBondContact O-N 2.74Å; A293-I297 VanDerWaalsContact O-N 3.16Å; I297-F300 PolarHBondContact O-N 3.13Å; I297-I301 HydrophobicContact CG2-CD1 3.6Å; I297-I301 HydrophobicContact CG2-CG1 4.26Å; I297-I301 WeakPolarHBondContact O-CG1 3.47Å; I297-I301 PolarHBondContact O-N 3.2Å; I297-Y706 HydrophobicContact CD1-CE2 3.84Å; I297-Y710 HydrophobicContact CD1-CE1 4.09Å; I297-Y710 HydrophobicContact CD1-CE2 4.25Å; I297-Y710 HydrophobicContact CG1-CE1 4.01Å; I297-F713 HydrophobicContact CD1-CE2 3.87Å; I297-F713 HydrophobicContact CD1-CZ 4.22Å; I297-F713 HydrophobicContact CG1-CE2 3.69Å; I297-F713 HydrophobicContact CG1-CZ 4.11Å |
| 298 | L | 92.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.8 | -50.2 | 177.7 | 176.8 | 152.6 | 0 | 0 | 0 | 111.9 | V56 F57 K60 I171 V175 G294 S295 V296 F300 I301 N302 | V56-L298 HydrophobicContact CG1-CB 4.29Å; V56-L298 HydrophobicContact CG1-CG 4.07Å; F57-L298 HydrophobicContact CB-CD1 4.17Å; F57-L298 HydrophobicContact CD2-CD1 3.75Å; F57-L298 HydrophobicContact CG-CD1 4.35Å; K60-L298 HydrophobicContact CB-CB 4.17Å; K60-L298 HydrophobicContact CB-CD1 3.86Å; K60-L298 HydrophobicContact CD-CD1 3.75Å; K60-L298 HydrophobicContact CG-CD1 4.41Å; I171-L298 HydrophobicContact CG2-CD1 4.09Å; I171-L298 HydrophobicContact CG2-CD2 4.15Å; V175-L298 HydrophobicContact CB-CD2 4.31Å; V175-L298 HydrophobicContact CG1-CD2 4.5Å; V175-L298 HydrophobicContact CG2-CD1 4.22Å; V175-L298 HydrophobicContact CG2-CD2 4.33Å; G294-L298 VanDerWaalsContact O-CB 3.27Å; G294-L298 WeakPolarHBondContact O-CB 3.39Å; G294-L298 PolarHBondContact O-N 3.2Å; S295-L298 PolarHBondContact O-N 3.36Å; V296-L298 PolarHBondContact O-N 3.27Å; L298-F300 VanDerWaalsContact C-N 3.32Å; L298-F300 PolarHBondContact O-N 3.25Å; L298-I301 PolarHBondContact O-N 3.18Å; L298-N302 WeakPolarHBondContact CD2-ND2 3.33Å; L298-N302 VanDerWaalsContact O-CB 3.31Å; L298-N302 WeakPolarHBondContact O-CB 3.3Å; L298-N302 PolarHBondContact O-N 2.74Å |
| 299 | I | 92.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.6 | -42.2 | -176.8 | -66.9 | 166.9 | 0 | 0 | 0 | 109.7 | G176 L179 A183 S295 V296 V303 | G176-I299 WeakPolarHBondContact O-CD1 3.49Å; L179-I299 HydrophobicContact CB-CD1 4Å; L179-I299 HydrophobicContact CB-CG2 4.39Å; L179-I299 HydrophobicContact CD2-CB 4.1Å; L179-I299 HydrophobicContact CD2-CD1 4.02Å; L179-I299 HydrophobicContact CD2-CG2 4.15Å; L179-I299 HydrophobicContact CG-CB 4.41Å; L179-I299 HydrophobicContact CG-CD1 4.31Å; L179-I299 HydrophobicContact CG-CG2 3.92Å; A183-I299 HydrophobicContact CB-CG2 4.27Å; S295-I299 WeakPolarHBondContact O-CG1 3.44Å; S295-I299 PolarHBondContact O-N 3.16Å; S295-I299 VanDerWaalsContact O-N 3.14Å; V296-I299 PolarHBondContact O-N 3.13Å; I299-V303 HydrophobicContact CG2-CG2 4.39Å; I299-V303 WeakPolarHBondContact O-CB 3.49Å; I299-V303 VanDerWaalsContact O-CG2 3.23Å; I299-V303 WeakPolarHBondContact O-CG2 3.35Å; I299-V303 PolarHBondContact O-N 2.92Å |
| 300 | F | 90.3 | Very high | 87.3 | Confident | 7 Ų | 7 | 23.1 Ų | 23.1 | 3% | 0.031 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -56.6 | -55.5 | 174 | 166.7 | -111.2 | 0 | 0 | 0 | 112.5 | S275 I278 F279 V296 I297 L298 V303 L304 F702 Y706 | S275-F300 VanDerWaalsContact OG-CE2 3.27Å; S275-F300 WeakPolarHBondContact OG-CE2 3.37Å; I278-F300 HydrophobicContact CB-CD2 4.48Å; I278-F300 HydrophobicContact CD1-CD2 4.24Å; I278-F300 HydrophobicContact CG2-CB 3.85Å; I278-F300 HydrophobicContact CG2-CD2 4.27Å; F279-F300 HydrophobicContact CE1-CB 4.09Å; F279-F300 AromaticContact CE1-CD1 3.88Å; F279-F300 HydrophobicContact CE1-CD1 3.88Å; F279-F300 HydrophobicContact CE1-CD2 4.39Å; F279-F300 HydrophobicContact CE1-CE1 4.48Å; F279-F300 AromaticContact CE1-CG 3.83Å; F279-F300 HydrophobicContact CE1-CG 3.83Å; F279-F300 HydrophobicContact CE2-CD1 4.3Å; F279-F300 HydrophobicContact CE2-CD2 4.24Å; F279-F300 HydrophobicContact CE2-CE1 4.15Å; F279-F300 HydrophobicContact CE2-CE2 4.11Å; F279-F300 HydrophobicContact CE2-CG 4.34Å; F279-F300 HydrophobicContact CE2-CZ 4.05Å; F279-F300 HydrophobicContact CZ-CB 4.32Å; F279-F300 AromaticContact CZ-CD1 3.36Å; F279-F300 HydrophobicContact CZ-CD1 3.36Å; F279-F300 AromaticContact CZ-CD2 3.9Å; F279-F300 HydrophobicContact CZ-CD2 3.9Å; F279-F300 AromaticContact CZ-CE1 3.53Å; F279-F300 HydrophobicContact CZ-CE1 3.53Å; F279-F300 HydrophobicContact CZ-CE2 4.07Å; F279-F300 AromaticContact CZ-CG 3.55Å; F279-F300 HydrophobicContact CZ-CG 3.55Å; F279-F300 AromaticContact CZ-CZ 3.88Å; F279-F300 HydrophobicContact CZ-CZ 3.88Å; V296-F300 WeakPolarHBondContact O-CB 3.05Å; V296-F300 PolarHBondContact O-N 3.05Å; I297-F300 PolarHBondContact O-N 3.13Å; L298-F300 VanDerWaalsContact C-N 3.32Å; L298-F300 PolarHBondContact O-N 3.25Å; F300-V303 PolarHBondContact O-N 3.26Å; F300-L304 HydrophobicContact CE2-CD2 4.42Å; F300-L304 HydrophobicContact CZ-CD2 3.98Å; F300-L304 WeakPolarHBondContact O-CB 3.34Å; F300-L304 PolarHBondContact O-N 2.97Å; F300-F702 HydrophobicContact CZ-CZ 4.16Å; F300-Y706 HydrophobicContact CD1-CE2 4.1Å; F300-Y706 HydrophobicContact CE1-CD2 4.15Å; F300-Y706 AromaticContact CE1-CE2 3.84Å; F300-Y706 HydrophobicContact CE1-CE2 3.84Å |
| 301 | I | 89.6 | Confident | 87.1 | Confident | 29 Ų | 29 | 18 Ų | 18 | 15% | 0.149 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.7 | -43.7 | -175.5 | -64.6 | 173.3 | 0 | 0 | 0 | 110.5 | V56 F59 I297 L298 V303 L304 L305 | V56-I301 HydrophobicContact CB-CG2 4.45Å; V56-I301 HydrophobicContact CG1-CB 3.83Å; V56-I301 HydrophobicContact CG1-CD1 4.47Å; V56-I301 HydrophobicContact CG1-CG2 3.93Å; V56-I301 HydrophobicContact CG2-CB 4.38Å; V56-I301 HydrophobicContact CG2-CG2 3.56Å; F59-I301 HydrophobicContact CD1-CD1 3.87Å; F59-I301 HydrophobicContact CE1-CD1 3.78Å; I297-I301 HydrophobicContact CG2-CD1 3.6Å; I297-I301 HydrophobicContact CG2-CG1 4.26Å; I297-I301 WeakPolarHBondContact O-CG1 3.47Å; I297-I301 PolarHBondContact O-N 3.2Å; L298-I301 PolarHBondContact O-N 3.18Å; I301-V303 PolarHBondContact O-N 3.07Å; I301-L304 PolarHBondContact O-N 3.39Å; I301-L305 HydrophobicContact CG2-CD1 3.66Å; I301-L305 HydrophobicContact CG2-CG 4.08Å; I301-L305 WeakPolarHBondContact O-CB 3.08Å; I301-L305 VanDerWaalsContact O-CG 3.28Å; I301-L305 WeakPolarHBondContact O-CG 3.43Å; I301-L305 PolarHBondContact O-N 3.12Å |
| 302 | N | 90.8 | Very high | 86.8 | Confident | 3 Ų | 3 | 20.1 Ų | 20.1 | 2% | 0.016 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.2 | -39.3 | -178.9 | -83.4 | -18.4 | 0 | 0 | 0 | 112.7 | V56 S172 L298 G306 | V56-N302 WeakPolarHBondContact CB-OD1 3.18Å; V56-N302 WeakPolarHBondContact CG2-OD1 3.47Å; S172-N302 VanDerWaalsContact OG-CB 3.27Å; S172-N302 WeakPolarHBondContact OG-CB 3.42Å; L298-N302 WeakPolarHBondContact CD2-ND2 3.33Å; L298-N302 VanDerWaalsContact O-CB 3.31Å; L298-N302 WeakPolarHBondContact O-CB 3.3Å; L298-N302 PolarHBondContact O-N 2.74Å; N302-G306 WeakPolarHBondContact O-CA 3.27Å; N302-G306 PolarHBondContact O-N 3.47Å |
| 303 | V | 85.7 | Confident | 86.8 | Confident | 7 Ų | 7 | 16.9 Ų | 16.9 | 4% | 0.042 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -71.7 | -37.7 | 178 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | A183 L187 I299 F300 I301 G306 S307 | A183-V303 HydrophobicContact CB-CB 4.01Å; A183-V303 HydrophobicContact CB-CG1 3.83Å; A183-V303 HydrophobicContact CB-CG2 3.65Å; L187-V303 HydrophobicContact CD2-CG1 4.24Å; L187-V303 HydrophobicContact CG-CG1 4.5Å; I299-V303 HydrophobicContact CG2-CG2 4.39Å; I299-V303 WeakPolarHBondContact O-CB 3.49Å; I299-V303 VanDerWaalsContact O-CG2 3.23Å; I299-V303 WeakPolarHBondContact O-CG2 3.35Å; I299-V303 PolarHBondContact O-N 2.92Å; F300-V303 PolarHBondContact O-N 3.26Å; I301-V303 PolarHBondContact O-N 3.07Å; V303-G306 PolarHBondContact O-N 3.41Å; V303-S307 PolarHBondContact O-N 2.86Å; V303-S307 PolarHBondContact O-OG 3.28Å |
| 304 | L | 83.4 | Confident | 86.4 | Confident | 39 Ų | 39 | 20.8 Ų | 20.8 | 20% | 0.204 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.7 | -50.3 | 173.8 | -178.9 | 65.3 | 0 | 0 | 0 | 111.5 | I271 F300 I301 G306 S307 I308 | I271-L304 HydrophobicContact CB-CD1 4.49Å; I271-L304 HydrophobicContact CG1-CD1 4.25Å; I271-L304 HydrophobicContact CG2-CD1 3.64Å; F300-L304 HydrophobicContact CE2-CD2 4.42Å; F300-L304 HydrophobicContact CZ-CD2 3.98Å; F300-L304 WeakPolarHBondContact O-CB 3.34Å; F300-L304 PolarHBondContact O-N 2.97Å; I301-L304 PolarHBondContact O-N 3.39Å; L304-G306 VanDerWaalsContact C-N 3.34Å; L304-G306 PolarHBondContact O-N 3.25Å; L304-S307 WeakPolarHBondContact O-CB 3.46Å; L304-S307 PolarHBondContact O-N 3.25Å; L304-I308 WeakPolarHBondContact O-CG1 3.36Å; L304-I308 PolarHBondContact O-N 3.19Å |
| 305 | L | 85.6 | Confident | 85.9 | Confident | 43 Ų | 43 | 24.3 Ų | 24.3 | 23% | 0.225 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.4 | -39.2 | 177.1 | -69.9 | 178.5 | 0 | 0 | 0 | 111.7 | V52 V56 I301 S307 I308 F309 | V52-L305 HydrophobicContact CG1-CD1 3.68Å; V56-L305 HydrophobicContact CG2-CD1 4.07Å; I301-L305 HydrophobicContact CG2-CD1 3.66Å; I301-L305 HydrophobicContact CG2-CG 4.08Å; I301-L305 WeakPolarHBondContact O-CB 3.08Å; I301-L305 VanDerWaalsContact O-CG 3.28Å; I301-L305 WeakPolarHBondContact O-CG 3.43Å; I301-L305 PolarHBondContact O-N 3.12Å; L305-S307 VanDerWaalsContact C-N 3.29Å; L305-S307 PolarHBondContact O-N 3.46Å; L305-I308 PolarHBondContact O-N 3.34Å; L305-I308 VanDerWaalsContact O-N 3.14Å; L305-F309 VanDerWaalsContact O-CG 3.3Å; L305-F309 WeakPolarHBondContact O-CG 3.43Å; L305-F309 PolarHBondContact O-N 2.69Å |
| 306 | G | 85.8 | Confident | 85.6 | Confident | 2 Ų | 2 | 24.5 Ų | 24.5 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.2 | -41.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F165 N302 V303 L304 I308 F309 L310 | F165-G306 VanDerWaalsContact CD2-O 3.29Å; F165-G306 WeakPolarHBondContact CD2-O 3.44Å; N302-G306 WeakPolarHBondContact O-CA 3.27Å; N302-G306 PolarHBondContact O-N 3.47Å; V303-G306 PolarHBondContact O-N 3.41Å; L304-G306 VanDerWaalsContact C-N 3.34Å; L304-G306 PolarHBondContact O-N 3.25Å; G306-I308 PolarHBondContact O-N 3.43Å; G306-F309 PolarHBondContact O-N 3.04Å; G306-L310 PolarHBondContact O-N 2.79Å |
| 307 | S | 80.7 | Confident | 85.2 | Confident | 12 Ų | 12 | 29.5 Ų | 29.5 | 8% | 0.084 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.9 | -42.2 | 175.1 | -56.6 | 0 | 0 | 0 | 0 | 112.3 | L187 V303 L304 L305 G311 | L187-S307 VanDerWaalsContact CD2-OG 3.24Å; L187-S307 WeakPolarHBondContact CD2-OG 3.35Å; V303-S307 PolarHBondContact O-N 2.86Å; V303-S307 PolarHBondContact O-OG 3.28Å; L304-S307 WeakPolarHBondContact O-CB 3.46Å; L304-S307 PolarHBondContact O-N 3.25Å; L305-S307 VanDerWaalsContact C-N 3.29Å; L305-S307 PolarHBondContact O-N 3.46Å; S307-G311 PolarHBondContact O-N 3.27Å |
| 308 | I | 80.7 | Confident | 84.8 | Confident | 53 Ų | 53 | 34 Ų | 34 | 27% | 0.272 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -67.9 | -42.2 | 177.8 | -65 | 167.8 | 0 | 0 | 0 | 110.8 | L304 L305 G306 G311 N312 | L304-I308 WeakPolarHBondContact O-CG1 3.36Å; L304-I308 PolarHBondContact O-N 3.19Å; L305-I308 PolarHBondContact O-N 3.34Å; L305-I308 VanDerWaalsContact O-N 3.14Å; G306-I308 PolarHBondContact O-N 3.43Å; I308-G311 PolarHBondContact O-N 3.24Å; I308-N312 PolarHBondContact O-N 3.02Å |
| 309 | F | 87.6 | Confident | 84.5 | Confident | 22 Ų | 22 | 38.7 Ų | 38.7 | 10% | 0.096 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.3 | -45.7 | 176.3 | -71.1 | -22.6 | 0 | 0 | 0 | 111.8 | V52 Y161 F165 L305 G306 G311 N312 A313 | V52-F309 HydrophobicContact CB-CE2 4.39Å; V52-F309 HydrophobicContact CB-CZ 3.94Å; V52-F309 HydrophobicContact CG1-CE2 4.31Å; V52-F309 HydrophobicContact CG1-CZ 3.81Å; V52-F309 HydrophobicContact CG2-CZ 4.2Å; Y161-F309 WeakPolarHBondContact CB-O 3.26Å; Y161-F309 HydrophobicContact CD1-CB 4.48Å; Y161-F309 AromaticContact CD1-CD1 3.66Å; Y161-F309 HydrophobicContact CD1-CD1 3.66Å; Y161-F309 HydrophobicContact CD1-CE1 4.24Å; Y161-F309 HydrophobicContact CD1-CG 4.33Å; Y161-F309 HydrophobicContact CE1-CD1 4.3Å; Y161-F309 WeakPolarHBondContact O-CB 3.2Å; F165-F309 HydrophobicContact CB-CB 4.32Å; L305-F309 VanDerWaalsContact O-CG 3.3Å; L305-F309 WeakPolarHBondContact O-CG 3.43Å; L305-F309 PolarHBondContact O-N 2.69Å; G306-F309 PolarHBondContact O-N 3.04Å; F309-G311 VanDerWaalsContact C-N 3.33Å; F309-G311 PolarHBondContact O-N 3.27Å; F309-N312 PolarHBondContact O-N 3.08Å; F309-A313 WeakPolarHBondContact O-CB 3.3Å; F309-A313 PolarHBondContact O-N 3.5Å |
| 310 | L | 82.4 | Confident | 84.5 | Confident | 43 Ų | 43 | 39.2 Ų | 39.2 | 23% | 0.225 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.3 | -43.5 | 175 | -171 | 62.9 | 0 | 0 | 0 | 111.5 | F165 G306 N312 A313 L314 | F165-L310 HydrophobicContact CD2-CB 4.48Å; G306-L310 PolarHBondContact O-N 2.79Å; L310-N312 VanDerWaalsContact C-N 3.29Å; L310-N312 PolarHBondContact O-N 3.25Å; L310-A313 PolarHBondContact O-N 3.13Å; L310-L314 WeakPolarHBondContact O-CG 3.47Å; L310-L314 PolarHBondContact O-N 2.82Å |
| 311 | G | 77 | Confident | 84.4 | Confident | 10 Ų | 10 | 43.5 Ų | 43.5 | 10% | 0.103 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.6 | -34.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | S307 I308 F309 P315 | S307-G311 PolarHBondContact O-N 3.27Å; I308-G311 PolarHBondContact O-N 3.24Å; F309-G311 VanDerWaalsContact C-N 3.33Å; F309-G311 PolarHBondContact O-N 3.27Å; G311-P315 WeakPolarHBondContact O-CD 3.5Å |
| 312 | N | 80.1 | Confident | 84.3 | Confident | 74 Ų | 74 | 44.8 Ų | 44.8 | 40% | 0.396 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -82.6 | -25.2 | 177 | -71.7 | -20.9 | 0 | 0 | 0 | 113.6 | Y161 I308 F309 L310 | Y161-N312 HydrophobicContact CD1-CB 4.26Å; Y161-N312 HydrophobicContact CD2-CB 3.86Å; Y161-N312 HydrophobicContact CE1-CB 4.12Å; Y161-N312 HydrophobicContact CE2-CB 3.72Å; Y161-N312 HydrophobicContact CG-CB 4.16Å; I308-N312 PolarHBondContact O-N 3.02Å; F309-N312 PolarHBondContact O-N 3.08Å; L310-N312 VanDerWaalsContact C-N 3.29Å; L310-N312 PolarHBondContact O-N 3.25Å |
| 313 | A | 85.6 | Confident | 84.4 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 2% | 0.017 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -75 | -36 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F158 I162 F309 L310 C316 | F158-A313 HydrophobicContact CD2-CB 4.09Å; F158-A313 HydrophobicContact CE2-CB 4.31Å; I162-A313 HydrophobicContact CD1-CB 3.96Å; I162-A313 HydrophobicContact CG1-CB 4.28Å; F309-A313 WeakPolarHBondContact O-CB 3.3Å; F309-A313 PolarHBondContact O-N 3.5Å; L310-A313 PolarHBondContact O-N 3.13Å; A313-C316 WeakPolarHBondContact O-CB 3.45Å; A313-C316 PolarHBondContact O-N 2.97Å; A313-C316 VanDerWaalsContact O-N 3.1Å |
| 314 | L | 80.3 | Confident | 84.7 | Confident | 83 Ų | 83 | 46.9 Ų | 46.9 | 44% | 0.435 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -44.3 | -175.8 | -72.5 | 170.7 | 0 | 0 | 0 | 114 | L310 C316 F317 | L310-L314 WeakPolarHBondContact O-CG 3.47Å; L310-L314 PolarHBondContact O-N 2.82Å; L314-C316 PolarHBondContact O-N 3.47Å; L314-F317 PolarHBondContact O-N 2.88Å |
| 315 | P | 78.5 | Confident | 85 | Confident | 74 Ų | 74 | 47.8 Ų | 47.8 | 48% | 0.481 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -22.8 | 175.9 | -26.1 | 35.5 | 0 | 0 | 0 | 114.7 | G311 F317 Q318 Y319 | G311-P315 WeakPolarHBondContact O-CD 3.5Å; P315-F317 PolarHBondContact O-N 3.37Å; P315-Q318 PolarHBondContact O-N 2.87Å; P315-Y319 WeakPolarHBondContact O-CD2 3.49Å |
| 316 | C | 83.7 | Confident | 85.3 | Confident | 11 Ų | 11 | 46.1 Ų | 46.1 | 7% | 0.074 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.4 | -32.3 | 179 | -62.2 | 0 | 0 | 0 | 0 | 112.6 | T154 F158 A313 L314 Q318 Y319 F320 | T154-C316 HydrophobicContact CG2-CB 3.75Å; F158-C316 HydrophobicContact CB-CB 4.05Å; F158-C316 HydrophobicContact CD2-CB 3.96Å; F158-C316 HydrophobicContact CG-CB 4.39Å; A313-C316 WeakPolarHBondContact O-CB 3.45Å; A313-C316 PolarHBondContact O-N 2.97Å; A313-C316 VanDerWaalsContact O-N 3.1Å; L314-C316 PolarHBondContact O-N 3.47Å; C316-Q318 PolarHBondContact O-N 2.84Å; C316-Y319 WeakPolarHBondContact O-CB 3.44Å; C316-Y319 PolarHBondContact O-N 2.91Å; C316-F320 HydrophobicContact CB-CE2 4.1Å; C316-F320 HydrophobicContact CB-CZ 4.07Å; C316-F320 PolarHBondContact O-N 3Å |
| 317 | F | 84.4 | Confident | 85.7 | Confident | 106 Ų | 106 | 46 Ų | 46 | 47% | 0.465 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.6 | -34.5 | 178.4 | -80.3 | -77 | 0 | 0 | 0 | 113 | F158 L314 P315 Y319 F320 M321 | F158-F317 AromaticContact CE2-CE2 3.85Å; F158-F317 HydrophobicContact CE2-CE2 3.85Å; F158-F317 HydrophobicContact CE2-CZ 4.07Å; F158-F317 HydrophobicContact CZ-CE2 4.36Å; F158-F317 HydrophobicContact CZ-CZ 4.12Å; L314-F317 PolarHBondContact O-N 2.88Å; P315-F317 PolarHBondContact O-N 3.37Å; F317-Y319 VanDerWaalsContact C-N 3.29Å; F317-Y319 PolarHBondContact O-N 3.47Å; F317-F320 HydrophobicContact CD1-CD2 4.37Å; F317-F320 PolarHBondContact O-N 2.82Å; F317-M321 WeakPolarHBondContact O-CG 3.22Å; F317-M321 PolarHBondContact O-N 2.91Å |
| 318 | Q | 84.1 | Confident | 86.2 | Confident | 94 Ų | 94 | 45.8 Ų | 45.8 | 44% | 0.439 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.4 | -38.6 | 177.4 | -173.8 | 61.6 | 54.7 | 0 | 0 | 111.6 | P315 C316 N322 | P315-Q318 PolarHBondContact O-N 2.87Å; C316-Q318 PolarHBondContact O-N 2.84Å; Q318-N322 PolarHBondContact NE2-OD1 2.89Å; Q318-N322 WeakPolarHBondContact O-CB 3.34Å; Q318-N322 PolarHBondContact O-N 3.03Å; Q318-N322 PolarHBondContact O-ND2 3.2Å; Q318-N322 PolarHBondContact O-OD1 3.2Å |
| 319 | Y | 86.7 | Confident | 86.6 | Confident | 98 Ų | 98 | 46.3 Ų | 46.3 | 38% | 0.384 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -68.1 | -39 | 177 | -66.4 | -83.5 | 0 | 0 | 0 | 111.7 | R149 T154 P315 C316 F317 N322 A323 | R149-Y319 HydrophobicContact CB-CD1 4.32Å; T154-Y319 HydrophobicContact CG2-CD2 3.95Å; T154-Y319 HydrophobicContact CG2-CG 4.09Å; P315-Y319 WeakPolarHBondContact O-CD2 3.49Å; C316-Y319 WeakPolarHBondContact O-CB 3.44Å; C316-Y319 PolarHBondContact O-N 2.91Å; F317-Y319 VanDerWaalsContact C-N 3.29Å; F317-Y319 PolarHBondContact O-N 3.47Å; Y319-N322 PolarHBondContact O-N 3.36Å; Y319-A323 WeakPolarHBondContact O-CB 3.48Å; Y319-A323 PolarHBondContact O-N 3.11Å |
| 320 | F | 91.1 | Very high | 86.8 | Confident | 12 Ų | 12 | 45.3 Ų | 45.3 | 5% | 0.053 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.5 | -45.4 | 176 | -56 | -29.5 | 0 | 0 | 0 | 111.8 | F23 G150 T154 L155 F158 C316 F317 N322 A323 Q324 | F23-F320 HydrophobicContact CD2-CB 4.17Å; F23-F320 HydrophobicContact CD2-CG 4.32Å; F23-F320 HydrophobicContact CE2-CB 4.07Å; F23-F320 AromaticContact CE2-CD1 3.73Å; F23-F320 HydrophobicContact CE2-CD1 3.73Å; F23-F320 HydrophobicContact CE2-CD2 4.29Å; F23-F320 HydrophobicContact CE2-CE1 4.23Å; F23-F320 AromaticContact CE2-CG 3.77Å; F23-F320 HydrophobicContact CE2-CG 3.77Å; F23-F320 HydrophobicContact CZ-CD1 4.45Å; G150-F320 WeakPolarHBondContact O-CE1 3.5Å; T154-F320 HydrophobicContact CG2-CE1 4.17Å; L155-F320 HydrophobicContact CB-CE1 4.31Å; L155-F320 HydrophobicContact CD1-CZ 4.26Å; F158-F320 HydrophobicContact CB-CE2 4.29Å; F158-F320 HydrophobicContact CB-CZ 3.86Å; F158-F320 HydrophobicContact CD1-CE2 4.23Å; F158-F320 HydrophobicContact CD1-CZ 4.37Å; F158-F320 HydrophobicContact CD2-CE2 4.21Å; F158-F320 AromaticContact CG-CE2 3.98Å; F158-F320 HydrophobicContact CG-CE2 3.98Å; F158-F320 HydrophobicContact CG-CZ 4.03Å; C316-F320 HydrophobicContact CB-CE2 4.1Å; C316-F320 HydrophobicContact CB-CZ 4.07Å; C316-F320 PolarHBondContact O-N 3Å; F317-F320 HydrophobicContact CD1-CD2 4.37Å; F317-F320 PolarHBondContact O-N 2.82Å; F320-N322 PolarHBondContact O-N 2.93Å; F320-A323 PolarHBondContact O-N 3.29Å; F320-Q324 WeakPolarHBondContact O-CG 3.16Å; F320-Q324 PolarHBondContact O-N 3.02Å |
| 321 | M | 88.5 | Confident | 87.4 | Confident | 96 Ų | 96 | 43.4 Ų | 43.4 | 47% | 0.473 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.7 | -42.5 | 176.7 | -69.8 | -173 | -64.2 | 0 | 0 | 112.1 | F317 Q324 A325 | F317-M321 WeakPolarHBondContact O-CG 3.22Å; F317-M321 PolarHBondContact O-N 2.91Å; M321-Q324 PolarHBondContact O-N 3.08Å; M321-A325 PolarHBondContact O-N 3.34Å |
| 322 | N | 88.1 | Confident | 88 | Confident | 57 Ų | 57 | 43.5 Ų | 43.5 | 31% | 0.305 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.1 | -42.9 | 176.1 | -70.8 | -6 | 0 | 0 | 0 | 111.2 | Q318 Y319 F320 Q324 A325 S326 | Q318-N322 PolarHBondContact NE2-OD1 2.89Å; Q318-N322 WeakPolarHBondContact O-CB 3.34Å; Q318-N322 PolarHBondContact O-N 3.03Å; Q318-N322 PolarHBondContact O-ND2 3.2Å; Q318-N322 PolarHBondContact O-OD1 3.2Å; Y319-N322 PolarHBondContact O-N 3.36Å; F320-N322 PolarHBondContact O-N 2.93Å; N322-Q324 PolarHBondContact O-N 2.91Å; N322-A325 PolarHBondContact O-N 2.92Å; N322-S326 WeakPolarHBondContact O-CB 3.26Å; N322-S326 PolarHBondContact O-N 3.41Å; N322-S326 PolarHBondContact O-OG 3.32Å |
| 323 | A | 91.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.8 | -42.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L26 Y319 F320 A327 | L26-A323 HydrophobicContact CD1-CB 4.14Å; L26-A323 HydrophobicContact CD2-CB 4.48Å; Y319-A323 WeakPolarHBondContact O-CB 3.48Å; Y319-A323 PolarHBondContact O-N 3.11Å; F320-A323 PolarHBondContact O-N 3.29Å; A323-A327 WeakPolarHBondContact O-CB 3.39Å; A323-A327 PolarHBondContact O-N 3.22Å |
| 324 | Q | 92.6 | Very high | 88.9 | Confident | 53 Ų | 53 | 41.2 Ų | 41.2 | 25% | 0.248 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.2 | -42.1 | 175.8 | -71.2 | 176.9 | -75.1 | 0 | 0 | 112.5 | I21 L26 F320 M321 N322 A328 | I21-Q324 PolarHBondContact O-NE2 3.35Å; L26-Q324 HydrophobicContact CD1-CG 4.12Å; L26-Q324 HydrophobicContact CD2-CG 4.39Å; L26-Q324 HydrophobicContact CG-CG 4.35Å; F320-Q324 WeakPolarHBondContact O-CG 3.16Å; F320-Q324 PolarHBondContact O-N 3.02Å; M321-Q324 PolarHBondContact O-N 3.08Å; N322-Q324 PolarHBondContact O-N 2.91Å; Q324-A328 WeakPolarHBondContact O-CB 3.36Å; Q324-A328 PolarHBondContact O-N 3.43Å |
| 325 | A | 89.9 | Confident | 89.4 | Confident | 58 Ų | 58 | 41.5 Ų | 41.5 | 48% | 0.479 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.7 | -47.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | M321 N322 A327 A328 | M321-A325 PolarHBondContact O-N 3.34Å; N322-A325 PolarHBondContact O-N 2.92Å; A325-A327 VanDerWaalsContact C-N 3.35Å; A325-A327 PolarHBondContact O-N 3.29Å; A325-A328 WeakPolarHBondContact O-CB 3.41Å; A325-A328 PolarHBondContact O-N 3.47Å |
| 326 | S | 91.8 | Very high | 90 | Very high | 9 Ų | 9 | 41.2 Ų | 41.2 | 6% | 0.063 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.1 | -39.5 | 176.2 | -67.4 | 0 | 0 | 0 | 0 | 112.5 | N322 I330 | N322-S326 WeakPolarHBondContact O-CB 3.26Å; N322-S326 PolarHBondContact O-N 3.41Å; N322-S326 PolarHBondContact O-OG 3.32Å; S326-I330 WeakPolarHBondContact O-CG1 3.43Å; S326-I330 PolarHBondContact O-N 3.02Å |
| 327 | A | 93.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.8 | -35.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I21 L26 I147 A323 A325 E329 I330 Y331 | I21-A327 HydrophobicContact CD1-CB 3.91Å; I21-A327 VanDerWaalsContact CD1-O 3.27Å; I21-A327 WeakPolarHBondContact CD1-O 3.35Å; L26-A327 HydrophobicContact CD2-CB 3.43Å; L26-A327 VanDerWaalsContact CD2-CB 3.43Å; I147-A327 HydrophobicContact CD1-CB 3.91Å; I147-A327 HydrophobicContact CG1-CB 4.24Å; A323-A327 WeakPolarHBondContact O-CB 3.39Å; A323-A327 PolarHBondContact O-N 3.22Å; A325-A327 VanDerWaalsContact C-N 3.35Å; A325-A327 PolarHBondContact O-N 3.29Å; A327-E329 VanDerWaalsContact C-N 3.31Å; A327-E329 PolarHBondContact O-N 2.84Å; A327-I330 PolarHBondContact O-N 2.95Å; A327-Y331 HydrophobicContact CB-CD1 4.48Å; A327-Y331 HydrophobicContact CB-CD2 4.44Å; A327-Y331 HydrophobicContact CB-CE1 4.34Å; A327-Y331 HydrophobicContact CB-CE2 4.29Å; A327-Y331 VanDerWaalsContact O-CB 3.27Å; A327-Y331 WeakPolarHBondContact O-CB 3.35Å; A327-Y331 PolarHBondContact O-N 3.09Å |
| 328 | A | 92 | Very high | 90.6 | Very high | 7 Ų | 7 | 41.9 Ų | 41.9 | 6% | 0.058 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57 | -44.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y18 I21 Q324 A325 G332 | Y18-A328 VanDerWaalsContact CB-O 3.3Å; Y18-A328 WeakPolarHBondContact CB-O 3.29Å; I21-A328 VanDerWaalsContact CD1-CA 3.48Å; I21-A328 HydrophobicContact CD1-CB 4.38Å; I21-A328 HydrophobicContact CG1-CB 4.19Å; Q324-A328 WeakPolarHBondContact O-CB 3.36Å; Q324-A328 PolarHBondContact O-N 3.43Å; A325-A328 WeakPolarHBondContact O-CB 3.41Å; A325-A328 PolarHBondContact O-N 3.47Å; A328-G332 WeakPolarHBondContact O-CA 3.36Å; A328-G332 PolarHBondContact O-N 2.96Å |
| 329 | E | 89.1 | Confident | 90.7 | Very high | 64 Ų | 64 | 45.7 Ų | 45.7 | 30% | 0.299 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -71.7 | -42.9 | 177.3 | -64.3 | 178.8 | -169.1 | 0 | 0 | 112.8 | K139 A327 T333 | K139-E329 WeakPolarHBondContact CE-OE2 3.26Å; K139-E329 IonicContact NZ-OE2 3.05Å; A327-E329 VanDerWaalsContact C-N 3.31Å; A327-E329 PolarHBondContact O-N 2.84Å; E329-T333 PolarHBondContact O-N 3.16Å; E329-T333 VanDerWaalsContact O-N 3.1Å; E329-T333 PolarHBondContact O-OG1 2.78Å |
| 330 | I | 92.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.2 | -50.5 | -176.7 | -68.1 | 177.5 | 0 | 0 | 0 | 110.6 | I112 Y116 N143 I144 I147 S326 A327 G332 T333 I334 | I112-I330 HydrophobicContact CG2-CG2 3.93Å; Y116-I330 HydrophobicContact CD2-CB 4.44Å; Y116-I330 HydrophobicContact CD2-CG2 3.77Å; Y116-I330 HydrophobicContact CE2-CG1 4.44Å; Y116-I330 HydrophobicContact CE2-CG2 4.35Å; Y116-I330 HydrophobicContact CG-CG2 3.92Å; N143-I330 HydrophobicContact CB-CD1 3.88Å; I144-I330 HydrophobicContact CG1-CD1 3.55Å; I147-I330 HydrophobicContact CD1-CD1 3.83Å; S326-I330 WeakPolarHBondContact O-CG1 3.43Å; S326-I330 PolarHBondContact O-N 3.02Å; A327-I330 PolarHBondContact O-N 2.95Å; I330-G332 VanDerWaalsContact C-N 3.31Å; I330-G332 PolarHBondContact O-N 2.98Å; I330-T333 WeakPolarHBondContact O-CB 3.23Å; I330-T333 PolarHBondContact O-N 3.25Å; I330-T333 VanDerWaalsContact O-N 3.12Å; I330-I334 HydrophobicContact CG2-CD1 3.87Å; I330-I334 WeakPolarHBondContact O-CG1 3.38Å; I330-I334 PolarHBondContact O-N 3.06Å |
| 331 | Y | 94.2 | Very high | 90.8 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.4 | -35.7 | -179.2 | -64.5 | 6.6 | 0 | 0 | 0 | 110 | I21 G25 L26 R28 Y29 I112 A327 T333 I334 E335 | I21-Y331 HydrophobicContact CD1-CD2 3.46Å; I21-Y331 VanDerWaalsContact CD1-CD2 3.46Å; I21-Y331 HydrophobicContact CD1-CE2 4.29Å; I21-Y331 HydrophobicContact CD1-CG 3.81Å; G25-Y331 WeakPolarHBondContact O-CE2 3.37Å; L26-Y331 PolarHBondContact O-OH 2.74Å; R28-Y331 HydrophobicContact CB-CE2 4.48Å; Y29-Y331 HydrophobicContact CD2-CD1 4.36Å; Y29-Y331 AromaticContact CD2-CE1 3.79Å; Y29-Y331 HydrophobicContact CD2-CE1 3.79Å; Y29-Y331 HydrophobicContact CD2-CE2 4.17Å; Y29-Y331 AromaticContact CD2-CZ 3.69Å; Y29-Y331 AromaticContact CE2-CD1 3.66Å; Y29-Y331 HydrophobicContact CE2-CD1 3.66Å; Y29-Y331 HydrophobicContact CE2-CD2 4.04Å; Y29-Y331 AromaticContact CE2-CE1 3.57Å; Y29-Y331 HydrophobicContact CE2-CE1 3.57Å; Y29-Y331 AromaticContact CE2-CE2 3.97Å; Y29-Y331 HydrophobicContact CE2-CE2 3.97Å; Y29-Y331 AromaticContact CE2-CG 3.92Å; Y29-Y331 HydrophobicContact CE2-CG 3.92Å; Y29-Y331 AromaticContact CE2-CZ 3.74Å; I112-Y331 HydrophobicContact CD1-CE1 4.06Å; I112-Y331 VanDerWaalsContact CD1-OH 3.31Å; I112-Y331 WeakPolarHBondContact CD1-OH 3.27Å; I112-Y331 HydrophobicContact CG1-CE1 4.21Å; I112-Y331 HydrophobicContact CG2-CE1 4.19Å; A327-Y331 HydrophobicContact CB-CD1 4.48Å; A327-Y331 HydrophobicContact CB-CD2 4.44Å; A327-Y331 HydrophobicContact CB-CE1 4.34Å; A327-Y331 HydrophobicContact CB-CE2 4.29Å; A327-Y331 VanDerWaalsContact O-CB 3.27Å; A327-Y331 WeakPolarHBondContact O-CB 3.35Å; A327-Y331 PolarHBondContact O-N 3.09Å; Y331-T333 PolarHBondContact O-N 2.93Å; Y331-I334 HydrophobicContact CD1-CD1 4.21Å; Y331-I334 PolarHBondContact O-N 3.09Å; Y331-I334 VanDerWaalsContact O-N 3.12Å; Y331-E335 VanDerWaalsContact O-CB 3.3Å; Y331-E335 WeakPolarHBondContact O-CB 3.47Å; Y331-E335 VanDerWaalsContact O-CG 3.27Å; Y331-E335 WeakPolarHBondContact O-CG 3.18Å; Y331-E335 PolarHBondContact O-N 2.82Å |
| 332 | G | 90.6 | Very high | 90.7 | Very high | 13 Ų | 13 | 38.2 Ų | 38.2 | 13% | 0.134 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.1 | -38.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y18 A328 I330 R336 | Y18-G332 VanDerWaalsContact CE1-C 3.42Å; Y18-G332 WeakPolarHBondContact CE1-O 3.43Å; A328-G332 WeakPolarHBondContact O-CA 3.36Å; A328-G332 PolarHBondContact O-N 2.96Å; I330-G332 VanDerWaalsContact C-N 3.31Å; I330-G332 PolarHBondContact O-N 2.98Å; G332-R336 WeakPolarHBondContact O-CB 3.16Å; G332-R336 PolarHBondContact O-N 3.17Å; G332-R336 VanDerWaalsContact O-N 3.11Å |
| 333 | T | 91.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -76.8 | -36.1 | 174.8 | -50.9 | 0 | 0 | 0 | 0 | 112.7 | Y116 Q123 W127 E329 I330 Y331 E335 | Y116-T333 HydrophobicContact CD2-CG2 4.3Å; Y116-T333 HydrophobicContact CE2-CG2 3.77Å; Q123-T333 PolarHBondContact NE2-O 3.29Å; W127-T333 HydrophobicContact CH2-CG2 3.97Å; W127-T333 HydrophobicContact CZ2-CG2 3.62Å; E329-T333 PolarHBondContact O-N 3.16Å; E329-T333 VanDerWaalsContact O-N 3.1Å; E329-T333 PolarHBondContact O-OG1 2.78Å; I330-T333 WeakPolarHBondContact O-CB 3.23Å; I330-T333 PolarHBondContact O-N 3.25Å; I330-T333 VanDerWaalsContact O-N 3.12Å; Y331-T333 PolarHBondContact O-N 2.93Å; T333-E335 VanDerWaalsContact C-N 3.3Å |
| 334 | I | 92.4 | Very high | 90.2 | Very high | 28 Ų | 28 | 46.1 Ų | 46.1 | 14% | 0.144 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.6 | -37.7 | 176.9 | -65.5 | 166.4 | 0 | 0 | 0 | 110.9 | Y29 I112 L115 Y116 I330 Y331 | Y29-I334 HydrophobicContact CE1-CG2 4.48Å; Y29-I334 HydrophobicContact CE2-CD1 4.18Å; Y29-I334 WeakPolarHBondContact OH-CG2 3.45Å; I112-I334 HydrophobicContact CG2-CD1 4.45Å; L115-I334 HydrophobicContact CB-CD1 4.18Å; L115-I334 HydrophobicContact CB-CG2 4.38Å; Y116-I334 HydrophobicContact CD2-CG1 4.2Å; I330-I334 HydrophobicContact CG2-CD1 3.87Å; I330-I334 WeakPolarHBondContact O-CG1 3.38Å; I330-I334 PolarHBondContact O-N 3.06Å; Y331-I334 HydrophobicContact CD1-CD1 4.21Å; Y331-I334 PolarHBondContact O-N 3.09Å; Y331-I334 VanDerWaalsContact O-N 3.12Å |
| 335 | E | 90.7 | Very high | 89.8 | Confident | 88 Ų | 88 | 52.1 Ų | 52.1 | 41% | 0.411 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -87 | -15.1 | -177 | -65.6 | 173 | -145.8 | 0 | 0 | 112.8 | R28 Y331 T333 I337 | R28-E335 IonicContact CZ-OE1 2.78Å; R28-E335 VanDerWaalsContact CZ-OE1 3.32Å; R28-E335 IonicContact CZ-OE2 3.29Å; R28-E335 IonicContact NE-OE1 3.24Å; R28-E335 IonicContact NH1-OE1 3.49Å; R28-E335 PolarHBondContact NH1-OE1 2.87Å; R28-E335 IonicContact NH1-OE2 3.82Å; R28-E335 PolarHBondContact NH1-OE2 3.06Å; R28-E335 IonicContact NH2-OE2 2.6Å; Y331-E335 VanDerWaalsContact O-CB 3.3Å; Y331-E335 WeakPolarHBondContact O-CB 3.47Å; Y331-E335 VanDerWaalsContact O-CG 3.27Å; Y331-E335 WeakPolarHBondContact O-CG 3.18Å; Y331-E335 PolarHBondContact O-N 2.82Å; T333-E335 VanDerWaalsContact C-N 3.3Å; E335-I337 PolarHBondContact O-N 2.81Å |
| 336 | R | 90.9 | Very high | 89.7 | Confident | 68 Ų | 68 | 50.6 Ų | 50.6 | 26% | 0.257 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -65.4 | 116.3 | 175 | -176.3 | -177.9 | -171.9 | -102.6 | 4.9 | 110.2 | Q123 D124 W127 G332 | Q123-R336 PolarHBondContact NE2-O 2.94Å; D124-R336 IonicContact OD1-CZ 2.81Å; D124-R336 IonicContact OD1-NH1 3.32Å; D124-R336 PolarHBondContact OD1-NH1 2.87Å; D124-R336 IonicContact OD1-NH2 3.57Å; W127-R336 VanDerWaalsContact CB-NH1 3.27Å; G332-R336 WeakPolarHBondContact O-CB 3.16Å; G332-R336 PolarHBondContact O-N 3.17Å; G332-R336 VanDerWaalsContact O-N 3.11Å |
| 337 | I | 90.2 | Very high | 89.5 | Confident | 126 Ų | 126 | 54.3 Ų | 54.3 | 65% | 0.646 | 27% | 0.266 | S | S | * | . | P | Polyproline II helix | trans | -84.9 | 118 | 164.8 | -56.6 | 172.1 | 0 | 0 | 0 | 106.8 | E335 | E335-I337 PolarHBondContact O-N 2.81Š|
| 338 | P | 90.5 | Very high | 89.3 | Confident | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.032 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 156.4 | 178.2 | 28.4 | -35.3 | 0 | 0 | 0 | 111.1 | R122 D124 D341 | R122-P338 HydrophobicContact CG-CG 4.34Å; D124-P338 HydrophobicContact CB-CB 4.1Å; P338-D341 HydrophobicContact CG-CB 4.16Å |
| 339 | Q | 87 | Confident | 88.9 | Confident | 174 Ų | 174 | 61.6 Ų | 61.6 | 81% | 0.813 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -68 | -43.6 | 177.1 | -69.2 | -177 | -13.2 | 0 | 0 | 110.4 | D124 D341 | D124-Q339 PolarHBondContact OD2-N 3.28Å; Q339-D341 PolarHBondContact O-N 2.78Å |
| 340 | I | 90 | Very high | 88.4 | Confident | 8 Ų | 8 | 64.3 Ų | 64.3 | 4% | 0.041 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -95.7 | 87.9 | 171.2 | -55 | 174.8 | 0 | 0 | 0 | 108.1 | D124 K342 R406 F407 L427 | D124-I340 HydrophobicContact CB-CB 4.05Å; I340-K342 PolarHBondContact O-N 3.45Å; I340-R406 HydrophobicContact CG2-CG 4.48Å; I340-F407 WeakPolarHBondContact CD1-O 3.47Å; I340-L427 HydrophobicContact CG2-CD2 3.76Å |
| 341 | D | 88.8 | Confident | 87.9 | Confident | 31 Ų | 31 | 71.1 Ų | 71.1 | 17% | 0.166 | 36% | 0.363 | C | S | . | . | trans | -84.2 | 112.5 | -179.5 | -172.4 | 9.8 | 0 | 0 | 0 | 112.5 | R122 P338 Q339 D343 R344 | R122-D341 IonicContact CZ-OD1 3.79Å; R122-D341 IonicContact CZ-OD2 3.36Å; R122-D341 IonicContact NE-OD1 3.7Å; R122-D341 PolarHBondContact NE-OD1 3.27Å; R122-D341 IonicContact NE-OD2 2.59Å; R122-D341 VanDerWaalsContact NH2-CG 3.33Å; R122-D341 IonicContact NH2-OD1 2.78Å; R122-D341 PolarHBondContact NH2-OD1 2.93Å; R122-D341 IonicContact NH2-OD2 3.26Å; R122-D341 PolarHBondContact NH2-OD2 2.96Å; P338-D341 HydrophobicContact CG-CB 4.16Å; Q339-D341 PolarHBondContact O-N 2.78Å; D341-D343 PolarHBondContact O-N 3.39Å; D341-D343 PolarHBondContact OD1-N 2.92Å; D341-D343 VanDerWaalsContact OD1-N 3.08Å; D341-R344 HydrophobicContact CB-CB 4.15Å; D341-R344 PolarHBondContact O-N 2.89Å | ||
| 342 | K | 86.6 | Confident | 87.5 | Confident | 10 Ų | 10 | 71.8 Ų | 71.8 | 4% | 0.043 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -19.5 | 179.4 | -51.7 | 177.1 | -172.8 | -178.7 | 0 | 113.6 | L121 Q123 I340 L427 K428 T880 E885 | L121-K342 PolarHBondContact O-NZ 3.45Å; Q123-K342 WeakPolarHBondContact O-CE 3.32Å; I340-K342 PolarHBondContact O-N 3.45Å; K342-L427 HydrophobicContact CG-CD2 4.27Å; K342-K428 VanDerWaalsContact O-CE 3.31Å; K342-K428 WeakPolarHBondContact O-CE 3Å; K342-T880 HydrophobicContact CD-CG2 4.45Å; K342-T880 PolarHBondContact NZ-OG1 2.91Å; K342-E885 VanDerWaalsContact CD-OE1 3.3Å; K342-E885 WeakPolarHBondContact CD-OE1 3.38Å; K342-E885 WeakPolarHBondContact CE-OE1 3.28Å; K342-E885 IonicContact NZ-OE1 3.48Å; K342-E885 PolarHBondContact NZ-OE1 3.05Å |
| 343 | D | 84.1 | Confident | 87.3 | Confident | 73 Ų | 73 | 73.1 Ų | 73.1 | 39% | 0.39 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 0.1 | -178.8 | -71.3 | -25 | 0 | 0 | 0 | 112.8 | R122 D341 K428 | R122-D343 WeakPolarHBondContact CD-OD2 3.36Å; R122-D343 IonicContact NE-OD2 3.64Å; D341-D343 PolarHBondContact O-N 3.39Å; D341-D343 PolarHBondContact OD1-N 2.92Å; D341-D343 VanDerWaalsContact OD1-N 3.08Å; D343-K428 IonicContact OD1-NZ 2.73Å; D343-K428 PolarHBondContact OD1-NZ 3.48Å |
| 344 | R | 86.4 | Confident | 87 | Confident | 150 Ų | 150 | 73.1 Ų | 73.1 | 57% | 0.566 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -71.9 | 130.8 | 175.4 | 178.8 | 179.8 | 172.1 | -165.1 | -6.4 | 110 | D341 | D341-R344 HydrophobicContact CB-CB 4.15Å; D341-R344 PolarHBondContact O-N 2.89Å |
| 345 | Q | 84.3 | Confident | 87 | Confident | 179 Ų | 179 | 74.4 Ų | 74.4 | 84% | 0.836 | 38% | 0.38 | S | S | * | . | trans | -69.5 | 132.2 | 171.2 | -67.6 | -178 | -17.2 | 0 | 0 | 110.3 | ||||
| 346 | G | 86.7 | Confident | 87.1 | Confident | 27 Ų | 27 | 70.3 Ų | 70.3 | 28% | 0.278 | 36% | 0.361 | S | S | . | . | trans | -136 | -174.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | D424 | G346-D424 CarbonylContact C-O 3.58Å; G346-D424 WeakPolarHBondContact CA-O 3.46Å | ||
| 347 | N | 88.7 | Confident | 87.3 | Confident | 86 Ų | 86 | 67.7 Ų | 67.7 | 46% | 0.46 | 35% | 0.354 | S | S | . | . | B | Isolated β-bridge | trans | -69 | 140.4 | 179.1 | -65.6 | -11.3 | 0 | 0 | 0 | 111.1 | E420 D424 L425 D426 | N347-E420 VanDerWaalsContact CB-OE2 3.23Å; N347-E420 WeakPolarHBondContact CB-OE2 3.28Å; N347-E420 PolarHBondContact ND2-OE2 3.39Å; N347-D424 PolarHBondContact N-O 2.84Å; N347-L425 HydrophobicContact CB-CD2 4.25Å; N347-D426 PolarHBondContact O-N 3.02Å |
| 348 | L | 88 | Confident | 87.5 | Confident | 120 Ų | 120 | 61.8 Ų | 61.8 | 63% | 0.628 | 32% | 0.324 | S | S | * | . | trans | -99.3 | 130 | 173.3 | -65.8 | 171.1 | 0 | 0 | 0 | 108.7 | P350 D426 A429 | L348-P350 VanDerWaalsContact O-CD 3.24Å; L348-P350 WeakPolarHBondContact O-CD 3.45Å; L348-D426 HydrophobicContact CD2-CB 3.89Å; L348-A429 HydrophobicContact CD2-CB 3.45Å; L348-A429 VanDerWaalsContact CD2-CB 3.45Å | ||
| 349 | I | 85.2 | Confident | 87.6 | Confident | 41 Ų | 41 | 66.3 Ų | 66.3 | 21% | 0.21 | 34% | 0.343 | C | S | . | . | trans | -94.6 | 105.8 | 173.2 | -57.4 | 171.7 | 0 | 0 | 0 | 107.9 | N351 F352 I417 E418 L425 | I349-N351 PolarHBondContact O-N 3.39Å; I349-F352 HydrophobicContact CD1-CD2 4.48Å; I349-F352 HydrophobicContact CG2-CB 4.37Å; I349-I417 HydrophobicContact CD1-CG2 4.03Å; I349-E418 HydrophobicContact CD1-CB 4.27Å; I349-E418 HydrophobicContact CD1-CG 4.36Å; I349-E418 HydrophobicContact CG2-CB 4.41Å; I349-E418 HydrophobicContact CG2-CG 4.15Å; I349-L425 HydrophobicContact CD1-CD1 3.77Å; I349-L425 HydrophobicContact CD1-CD2 3.67Å; I349-L425 HydrophobicContact CD1-CG 4.39Å; I349-L425 HydrophobicContact CG1-CD2 3.82Å | ||
| 350 | P | 77.2 | Confident | 87.9 | Confident | 120 Ų | 120 | 62.8 Ų | 62.8 | 78% | 0.779 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -68 | -34.3 | -175.8 | 24.1 | -32.4 | 0 | 0 | 0 | 113.2 | L348 | L348-P350 VanDerWaalsContact O-CD 3.24Å; L348-P350 WeakPolarHBondContact O-CD 3.45Å |
| 351 | N | 81.6 | Confident | 88 | Confident | 143 Ų | 143 | 62.4 Ų | 62.4 | 77% | 0.765 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -121.3 | 70.9 | -176.4 | -69.5 | -21.5 | 0 | 0 | 0 | 111.1 | I349 S353 | I349-N351 PolarHBondContact O-N 3.39Å; N351-S353 PolarHBondContact O-N 2.84Å |
| 352 | F | 86 | Confident | 88.2 | Confident | 17 Ų | 17 | 61.9 Ų | 61.9 | 8% | 0.075 | 33% | 0.326 | C | S | . | . | trans | -69.9 | 114.8 | 177.6 | -174.2 | -84.8 | 0 | 0 | 0 | 110.8 | I349 I417 E418 Y430 Q433 K514 L515 | I349-F352 HydrophobicContact CD1-CD2 4.48Å; I349-F352 HydrophobicContact CG2-CB 4.37Å; F352-I417 HydrophobicContact CD2-CG2 4.14Å; F352-I417 HydrophobicContact CE2-CG2 3.43Å; F352-I417 VanDerWaalsContact CE2-CG2 3.43Å; F352-I417 HydrophobicContact CZ-CG2 4.34Å; F352-E418 HydrophobicContact CD2-CG 4.46Å; F352-Y430 HydrophobicContact CE2-CD2 4.14Å; F352-Y430 AromaticContact CE2-CE2 3.98Å; F352-Y430 HydrophobicContact CE2-CE2 3.98Å; F352-Y430 HydrophobicContact CZ-CE2 4.42Å; F352-Q433 HydrophobicContact CB-CG 4.23Å; F352-Q433 HydrophobicContact CD1-CB 4Å; F352-Q433 HydrophobicContact CD1-CG 4.42Å; F352-Q433 HydrophobicContact CD2-CB 4.43Å; F352-Q433 HydrophobicContact CD2-CG 4.47Å; F352-Q433 HydrophobicContact CE1-CB 4.15Å; F352-Q433 HydrophobicContact CG-CB 4.14Å; F352-Q433 HydrophobicContact CG-CG 4.14Å; F352-Q433 HydrophobicContact CZ-CB 4.41Å; F352-K514 HydrophobicContact CD1-CB 3.46Å; F352-K514 VanDerWaalsContact CD1-CB 3.46Å; F352-K514 HydrophobicContact CD1-CG 4.03Å; F352-K514 HydrophobicContact CE1-CB 3.61Å; F352-L515 HydrophobicContact CE1-CB 4Å; F352-L515 HydrophobicContact CZ-CB 4.05Å | ||
| 353 | S | 85.9 | Confident | 88.5 | Confident | 41 Ų | 41 | 61.6 Ų | 61.6 | 29% | 0.287 | 33% | 0.325 | S | S | . | . | trans | -99.1 | -20 | -179.6 | 78.3 | 0 | 0 | 0 | 0 | 112.8 | N351 N355 S383 E418 | N351-S353 PolarHBondContact O-N 2.84Å; S353-N355 PolarHBondContact OG-ND2 3.37Å; S353-S383 WeakPolarHBondContact O-CB 3.35Å; S353-S383 PolarHBondContact O-OG 2.98Å; S353-E418 VanDerWaalsContact CA-OE1 3.32Å; S353-E418 WeakPolarHBondContact CA-OE1 3.12Å; S353-E418 WeakPolarHBondContact CB-OE1 3.15Å; S353-E418 PolarHBondContact N-OE1 2.89Å; S353-E418 VanDerWaalsContact OG-CD 3.29Å; S353-E418 PolarHBondContact OG-OE1 3.24Å; S353-E418 PolarHBondContact OG-OE2 3.43Å | ||
| 354 | G | 86.2 | Confident | 88.8 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | trans | 97.8 | 25.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | E418 T545 | G354-E418 PolarHBondContact N-OE1 2.8Å; G354-T545 WeakPolarHBondContact O-CG2 3.21Å; G354-T545 PolarHBondContact O-OG1 2.91Å | ||
| 355 | N | 92 | Very high | 88.8 | Confident | 55 Ų | 55 | 54.5 Ų | 54.5 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | trans | -80.4 | 132.3 | 171.7 | -62.5 | -45.3 | 0 | 0 | 0 | 111 | S353 I381 S383 E418 | S353-N355 PolarHBondContact OG-ND2 3.37Å; N355-I381 WeakPolarHBondContact CA-O 3.38Å; N355-S383 PolarHBondContact OD1-N 3.5Å; N355-E418 WeakPolarHBondContact CB-OE2 3.42Å; N355-E418 PolarHBondContact N-OE1 2.85Å; N355-E418 PolarHBondContact ND2-OE2 3.08Å; N355-E418 PolarHBondContact O-N 2.9Å | ||
| 356 | V | 93.3 | Very high | 88.7 | Confident | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 136.9 | -177.9 | 177.9 | 0 | 0 | 0 | 0 | 109.6 | F358 I381 L404 L416 I417 L515 | V356-F358 HydrophobicContact CG1-CD2 4.26Å; V356-F358 HydrophobicContact CG1-CE2 3.84Å; V356-I381 HydrophobicContact CB-CB 4.01Å; V356-I381 HydrophobicContact CB-CD1 4.17Å; V356-I381 HydrophobicContact CB-CG1 4.08Å; V356-I381 HydrophobicContact CG1-CD1 4.23Å; V356-I381 HydrophobicContact CG1-CG1 4.41Å; V356-I381 PolarHBondContact N-O 3.38Å; V356-I381 PolarHBondContact O-N 3.14Å; V356-L404 HydrophobicContact CG1-CD2 3.47Å; V356-L404 VanDerWaalsContact CG1-CD2 3.47Å; V356-L404 HydrophobicContact CG2-CD2 4.48Å; V356-L416 CarbonylContact C-O 3.58Å; V356-L416 WeakPolarHBondContact CA-O 3.48Å; V356-I417 HydrophobicContact CB-CD1 4.28Å; V356-I417 HydrophobicContact CG1-CD1 3.97Å; V356-I417 HydrophobicContact CG2-CD1 3.79Å; V356-L515 HydrophobicContact CG2-CD2 4.2Å |
| 357 | A | 94.2 | Very high | 88.3 | Confident | 12 Ų | 12 | 50.8 Ų | 50.8 | 10% | 0.099 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 128.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L379 T380 L416 | A357-L379 CarbonylContact C-O 3.38Å; A357-L379 WeakPolarHBondContact CA-O 3.39Å; A357-T380 HydrophobicContact CB-CG2 4.47Å; A357-L416 HydrophobicContact CB-CB 4.31Å; A357-L416 PolarHBondContact N-O 2.74Å; A357-L416 PolarHBondContact O-N 2.97Å |
| 358 | F | 94.1 | Very high | 88.1 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 1% | 0.013 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 129.8 | 167.3 | -68.5 | -101.4 | 0 | 0 | 0 | 108.6 | V356 V361 F377 S378 L379 I400 M403 L404 V415 | V356-F358 HydrophobicContact CG1-CD2 4.26Å; V356-F358 HydrophobicContact CG1-CE2 3.84Å; F358-V361 HydrophobicContact CB-CG2 4.31Å; F358-V361 HydrophobicContact CD1-CB 4.45Å; F358-V361 HydrophobicContact CD1-CG2 4.05Å; F358-F377 HydrophobicContact CB-CD1 3.83Å; F358-F377 HydrophobicContact CB-CE1 3.85Å; F358-F377 AromaticContact CD1-CD1 3.88Å; F358-F377 HydrophobicContact CD1-CD1 3.88Å; F358-F377 AromaticContact CD1-CE1 3.87Å; F358-F377 HydrophobicContact CD1-CE1 3.87Å; F358-F377 AromaticContact CD2-CE1 3.99Å; F358-F377 HydrophobicContact CD2-CE1 3.99Å; F358-F377 HydrophobicContact CE1-CE1 4.44Å; F358-F377 AromaticContact CG-CD1 3.91Å; F358-F377 HydrophobicContact CG-CD1 3.91Å; F358-F377 AromaticContact CG-CE1 3.64Å; F358-F377 HydrophobicContact CG-CE1 3.64Å; F358-S378 VanDerWaalsContact O-CA 3.24Å; F358-S378 WeakPolarHBondContact O-CA 3.44Å; F358-L379 HydrophobicContact CB-CB 4.43Å; F358-L379 HydrophobicContact CD2-CB 4.35Å; F358-L379 PolarHBondContact N-O 3.21Å; F358-L379 PolarHBondContact O-N 3.43Å; F358-L379 VanDerWaalsContact O-N 3.09Å; F358-I400 HydrophobicContact CE1-CG2 4.31Å; F358-I400 HydrophobicContact CE2-CG2 4.05Å; F358-I400 HydrophobicContact CZ-CG2 3.65Å; F358-M403 HydrophobicContact CE1-CB 4.28Å; F358-L404 HydrophobicContact CE2-CD2 3.76Å; F358-L404 HydrophobicContact CE2-CG 4.32Å; F358-L404 HydrophobicContact CZ-CD2 3.56Å; F358-L404 HydrophobicContact CZ-CG 3.85Å; F358-V415 HydrophobicContact CD1-CG1 4.35Å; F358-V415 HydrophobicContact CD1-CG2 3.7Å; F358-V415 HydrophobicContact CE1-CG1 4.05Å; F358-V415 HydrophobicContact CE1-CG2 3.69Å; F358-V415 HydrophobicContact CZ-CG1 4.16Å |
| 359 | K | 93.7 | Very high | 87.8 | Confident | 99 Ų | 99 | 53.3 Ų | 53.3 | 43% | 0.43 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 109.2 | 177.3 | -68.1 | -179.7 | 178.1 | 172 | 0 | 110.6 | V361 G413 E414 L416 | K359-V361 VanDerWaalsContact C-N 3.29Å; K359-V361 PolarHBondContact O-N 3.34Å; K359-G413 VanDerWaalsContact O-CA 3.22Å; K359-G413 WeakPolarHBondContact O-CA 3.34Å; K359-E414 HydrophobicContact CB-CG 3.93Å; K359-E414 HydrophobicContact CD-CG 4.21Å; K359-E414 WeakPolarHBondContact CD-OE1 3.48Å; K359-E414 PolarHBondContact N-O 3.27Å; K359-E414 IonicContact NZ-OE1 3.34Å; K359-E414 PolarHBondContact O-N 3.42Å; K359-L416 HydrophobicContact CD-CD1 3.73Å |
| 360 | N | 92.8 | Very high | 87.8 | Confident | 101 Ų | 101 | 58.8 Ų | 58.8 | 54% | 0.54 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 49.8 | 45.5 | 174 | -58.1 | -25.8 | 0 | 0 | 0 | 113.4 | S362 F377 S378 G413 | N360-S362 PolarHBondContact O-N 3.41Å; N360-F377 PolarHBondContact N-O 3.1Å; N360-S378 PolarHBondContact N-OG 3.16Å; N360-S378 PolarHBondContact OD1-OG 2.91Å; N360-S378 VanDerWaalsContact OD1-OG 3.09Å; N360-G413 WeakPolarHBondContact O-CA 3.33Å |
| 361 | V | 92.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 119.1 | -173.7 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | F358 K359 L374 D376 F377 M403 P410 S412 E414 V415 | F358-V361 HydrophobicContact CB-CG2 4.31Å; F358-V361 HydrophobicContact CD1-CB 4.45Å; F358-V361 HydrophobicContact CD1-CG2 4.05Å; K359-V361 VanDerWaalsContact C-N 3.29Å; K359-V361 PolarHBondContact O-N 3.34Å; V361-L374 HydrophobicContact CG1-CD1 4.44Å; V361-D376 PolarHBondContact O-N 3.47Å; V361-F377 HydrophobicContact CB-CB 4.41Å; V361-F377 PolarHBondContact N-O 3.42Å; V361-F377 WeakPolarHBondContact O-CB 3.37Å; V361-F377 PolarHBondContact O-N 3.37Å; V361-M403 HydrophobicContact CG1-CE 3.58Å; V361-M403 HydrophobicContact CG1-SD 3.88Å; V361-P410 HydrophobicContact CG1-CB 3.86Å; V361-S412 WeakPolarHBondContact CA-O 3.42Å; V361-E414 WeakPolarHBondContact CG2-O 3.48Å; V361-V415 HydrophobicContact CG2-CG2 4.08Å |
| 362 | S | 92.7 | Very high | 88.5 | Confident | 19 Ų | 19 | 53.5 Ų | 53.5 | 13% | 0.133 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 138.2 | 166.7 | -66.3 | 0 | 0 | 0 | 0 | 110.8 | N360 L374 D376 V411 S412 | N360-S362 PolarHBondContact O-N 3.41Å; S362-L374 VanDerWaalsContact CA-O 3.26Å; S362-L374 WeakPolarHBondContact CA-O 3.49Å; S362-D376 PolarHBondContact OG-N 3.4Å; S362-D376 PolarHBondContact OG-OD1 3.35Å; S362-V411 WeakPolarHBondContact O-CB 3.39Å; S362-V411 PolarHBondContact O-N 2.69Å; S362-S412 WeakPolarHBondContact CB-OG 2.98Å; S362-S412 PolarHBondContact N-O 3.4Å; S362-S412 PolarHBondContact O-N 2.9Å |
| 363 | F | 92.5 | Very high | 88.7 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.018 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 144 | -173.5 | -178.3 | -102 | 0 | 0 | 0 | 113.7 | Y365 I373 L374 T399 M403 Y408 | F363-Y365 AromaticContact CE1-CD1 3.71Å; F363-Y365 HydrophobicContact CE1-CD1 3.71Å; F363-Y365 AromaticContact CE1-CD2 3.87Å; F363-Y365 HydrophobicContact CE1-CD2 3.87Å; F363-Y365 AromaticContact CE1-CE1 3.76Å; F363-Y365 HydrophobicContact CE1-CE1 3.76Å; F363-Y365 AromaticContact CE1-CE2 3.88Å; F363-Y365 HydrophobicContact CE1-CE2 3.88Å; F363-Y365 AromaticContact CE1-CG 3.75Å; F363-Y365 HydrophobicContact CE1-CG 3.75Å; F363-Y365 AromaticContact CE1-CZ 3.82Å; F363-Y365 AromaticContact CZ-CD1 3.83Å; F363-Y365 HydrophobicContact CZ-CD1 3.83Å; F363-Y365 HydrophobicContact CZ-CE1 4.03Å; F363-Y365 HydrophobicContact CZ-CG 4.18Å; F363-I373 HydrophobicContact CD1-CB 4.33Å; F363-I373 PolarHBondContact O-N 3.01Å; F363-L374 HydrophobicContact CB-CB 4.09Å; F363-L374 HydrophobicContact CB-CD1 4.26Å; F363-L374 HydrophobicContact CB-CG 4.41Å; F363-L374 PolarHBondContact N-O 3.13Å; F363-L374 PolarHBondContact O-N 2.89Å; F363-T399 HydrophobicContact CD1-CG2 3.32Å; F363-T399 HydrophobicContact CE1-CG2 3.61Å; F363-T399 HydrophobicContact CG-CG2 4.13Å; F363-M403 HydrophobicContact CB-CE 3.87Å; F363-M403 HydrophobicContact CB-SD 4.27Å; F363-M403 HydrophobicContact CD2-CE 3.72Å; F363-M403 HydrophobicContact CG-CE 3.94Å; F363-M403 HydrophobicContact CG-SD 4.33Å; F363-Y408 VanDerWaalsContact CE2-CB 3.42Å; F363-Y408 HydrophobicContact CE2-CD1 4.35Å; F363-Y408 HydrophobicContact CE2-CG 4.03Å; F363-Y408 AromaticContact CZ-CD1 3.85Å; F363-Y408 HydrophobicContact CZ-CD1 3.85Å; F363-Y408 HydrophobicContact CZ-CD2 4.3Å; F363-Y408 AromaticContact CZ-CG 3.65Å; F363-Y408 HydrophobicContact CZ-CG 3.65Å |
| 364 | V | 90.4 | Very high | 89 | Confident | 31 Ų | 31 | 52.2 Ų | 52.2 | 19% | 0.188 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 131.5 | 177.7 | 177.5 | 0 | 0 | 0 | 0 | 107.7 | R368 P369 T372 V411 | V364-R368 WeakPolarHBondContact CG1-O 3.29Å; V364-P369 VanDerWaalsContact CG1-CA 3.48Å; V364-P369 WeakPolarHBondContact CG1-O 3.23Å; V364-T372 HydrophobicContact CG2-CG2 4.29Å; V364-V411 HydrophobicContact CB-CG2 4.26Å; V364-V411 HydrophobicContact CG2-CG2 4.38Å |
| 365 | Y | 87.6 | Confident | 89.2 | Confident | 44 Ų | 44 | 57.1 Ų | 57.1 | 17% | 0.173 | 30% | 0.299 | C | S | . | . | trans | -70.7 | 132.7 | 172.9 | -80.3 | -73.3 | 0 | 0 | 0 | 110.1 | F363 S367 R368 I373 T399 H402 Y408 | F363-Y365 AromaticContact CE1-CD1 3.71Å; F363-Y365 HydrophobicContact CE1-CD1 3.71Å; F363-Y365 AromaticContact CE1-CD2 3.87Å; F363-Y365 HydrophobicContact CE1-CD2 3.87Å; F363-Y365 AromaticContact CE1-CE1 3.76Å; F363-Y365 HydrophobicContact CE1-CE1 3.76Å; F363-Y365 AromaticContact CE1-CE2 3.88Å; F363-Y365 HydrophobicContact CE1-CE2 3.88Å; F363-Y365 AromaticContact CE1-CG 3.75Å; F363-Y365 HydrophobicContact CE1-CG 3.75Å; F363-Y365 AromaticContact CE1-CZ 3.82Å; F363-Y365 AromaticContact CZ-CD1 3.83Å; F363-Y365 HydrophobicContact CZ-CD1 3.83Å; F363-Y365 HydrophobicContact CZ-CE1 4.03Å; F363-Y365 HydrophobicContact CZ-CG 4.18Å; Y365-S367 PolarHBondContact O-N 2.92Å; Y365-S367 VanDerWaalsContact O-N 3.13Å; Y365-R368 CarbonylContact O-C 3.57Å; Y365-R368 PolarHBondContact O-N 3.37Å; Y365-I373 HydrophobicContact CD2-CD1 4.35Å; Y365-I373 HydrophobicContact CD2-CG1 3.77Å; Y365-I373 HydrophobicContact CE2-CG1 4.13Å; Y365-I373 HydrophobicContact CE2-CG2 4.44Å; Y365-T399 HydrophobicContact CE2-CG2 4.41Å; Y365-T399 PolarHBondContact OH-OG1 2.98Å; Y365-H402 PolarHBondContact OH-ND1 3.08Å; Y365-H402 VanDerWaalsContact OH-ND1 3.16Å; Y365-Y408 HydrophobicContact CD1-CD1 4.34Å; Y365-Y408 AromaticContact CD1-CE1 3.88Å; Y365-Y408 HydrophobicContact CD1-CE1 3.88Å; Y365-Y408 HydrophobicContact CD1-CE2 4.41Å; Y365-Y408 AromaticContact CD1-CZ 3.93Å; Y365-Y408 HydrophobicContact CE1-CD1 4.45Å; Y365-Y408 HydrophobicContact CE1-CD2 4.17Å; Y365-Y408 HydrophobicContact CE1-CE1 4Å; Y365-Y408 AromaticContact CE1-CE2 3.69Å; Y365-Y408 HydrophobicContact CE1-CE2 3.69Å; Y365-Y408 AromaticContact CE1-CZ 3.6Å | ||
| 366 | P | 82 | Confident | 89.1 | Confident | 58 Ų | 58 | 59.7 Ų | 59.7 | 38% | 0.377 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -32.1 | 179 | -29.6 | 38.2 | 0 | 0 | 0 | 114 | P126 R368 | P126-P366 HydrophobicContact CB-CG 4.1Å; P126-P366 HydrophobicContact CG-CG 4.43Å; P366-R368 PolarHBondContact O-N 2.87Å |
| 367 | S | 77.4 | Confident | 89 | Confident | 70 Ų | 70 | 59.7 Ų | 59.7 | 49% | 0.49 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -17.6 | 175.6 | 59 | 0 | 0 | 0 | 0 | 114.2 | Y365 | Y365-S367 PolarHBondContact O-N 2.92Å; Y365-S367 VanDerWaalsContact O-N 3.13Å |
| 368 | R | 83.8 | Confident | 88.9 | Confident | 170 Ų | 170 | 61.8 Ų | 61.8 | 64% | 0.642 | 33% | 0.326 | S | S | * | . | trans | -143.8 | 70.2 | -177.4 | -64.2 | -175.2 | -173.9 | 175.4 | 1.4 | 109.9 | V364 Y365 P366 D370 I371 | V364-R368 WeakPolarHBondContact CG1-O 3.29Å; Y365-R368 CarbonylContact O-C 3.57Å; Y365-R368 PolarHBondContact O-N 3.37Å; P366-R368 PolarHBondContact O-N 2.87Å; R368-D370 PolarHBondContact O-N 3.31Å; R368-D370 VanDerWaalsContact O-N 3.1Å; R368-I371 PolarHBondContact O-N 3Å | ||
| 369 | P | 82.8 | Confident | 88.7 | Confident | 89 Ų | 89 | 62.4 Ų | 62.4 | 58% | 0.578 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -22.6 | -174.9 | 26 | -34.4 | 0 | 0 | 0 | 113.3 | V364 I371 | V364-P369 VanDerWaalsContact CG1-CA 3.48Å; V364-P369 WeakPolarHBondContact CG1-O 3.23Å; P369-I371 VanDerWaalsContact C-N 3.3Å; P369-I371 PolarHBondContact O-N 3.42Å |
| 370 | D | 85.4 | Confident | 88.7 | Confident | 155 Ų | 155 | 62.2 Ų | 62.2 | 83% | 0.829 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -8.9 | -177.3 | -53.9 | -39.7 | 0 | 0 | 0 | 113.8 | R368 | R368-D370 PolarHBondContact O-N 3.31Å; R368-D370 VanDerWaalsContact O-N 3.1Å |
| 371 | I | 84.6 | Confident | 88.7 | Confident | 87 Ų | 87 | 57.5 Ų | 57.5 | 45% | 0.446 | 31% | 0.312 | S | S | . | . | trans | -119.7 | 108.3 | -173.4 | -54.5 | 177.4 | 0 | 0 | 0 | 110.6 | R368 P369 I373 | R368-I371 PolarHBondContact O-N 3Å; P369-I371 VanDerWaalsContact C-N 3.3Å; P369-I371 PolarHBondContact O-N 3.42Å; I371-I373 HydrophobicContact CG2-CD1 3.93Å; I371-I373 PolarHBondContact O-N 3.05Å | ||
| 372 | T | 87.8 | Confident | 88.6 | Confident | 66 Ų | 66 | 64.4 Ų | 64.4 | 41% | 0.405 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 121.8 | 170.9 | -42.6 | 0 | 0 | 0 | 0 | 111 | V364 L374 K375 | V364-T372 HydrophobicContact CG2-CG2 4.29Å; T372-L374 VanDerWaalsContact CG2-O 3.23Å; T372-L374 WeakPolarHBondContact CG2-O 3.2Å; T372-K375 HydrophobicContact CG2-CD 4.5Å; T372-K375 HydrophobicContact CG2-CG 3.63Å |
| 373 | I | 91.1 | Very high | 88.5 | Confident | 31 Ų | 31 | 66.5 Ų | 66.5 | 16% | 0.159 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -39.4 | -175.6 | -58.4 | -64.6 | 0 | 0 | 0 | 112.3 | F363 Y365 I371 T399 G568 | F363-I373 HydrophobicContact CD1-CB 4.33Å; F363-I373 PolarHBondContact O-N 3.01Å; Y365-I373 HydrophobicContact CD2-CD1 4.35Å; Y365-I373 HydrophobicContact CD2-CG1 3.77Å; Y365-I373 HydrophobicContact CE2-CG1 4.13Å; Y365-I373 HydrophobicContact CE2-CG2 4.44Å; I371-I373 HydrophobicContact CG2-CD1 3.93Å; I371-I373 PolarHBondContact O-N 3.05Å; I373-T399 HydrophobicContact CG2-CG2 4.27Å; I373-T399 WeakPolarHBondContact CG2-OG1 3.42Å; I373-G568 WeakPolarHBondContact O-CA 3.32Å |
| 374 | L | 91.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 139.1 | 173 | -63.9 | 175.2 | 0 | 0 | 0 | 108.7 | V361 S362 F363 T372 F377 T399 I400 M403 | V361-L374 HydrophobicContact CG1-CD1 4.44Å; S362-L374 VanDerWaalsContact CA-O 3.26Å; S362-L374 WeakPolarHBondContact CA-O 3.49Å; F363-L374 HydrophobicContact CB-CB 4.09Å; F363-L374 HydrophobicContact CB-CD1 4.26Å; F363-L374 HydrophobicContact CB-CG 4.41Å; F363-L374 PolarHBondContact N-O 3.13Å; F363-L374 PolarHBondContact O-N 2.89Å; T372-L374 VanDerWaalsContact CG2-O 3.23Å; T372-L374 WeakPolarHBondContact CG2-O 3.2Å; L374-F377 HydrophobicContact CB-CB 4.4Å; L374-T399 HydrophobicContact CD1-CG2 4.01Å; L374-T399 HydrophobicContact CG-CG2 4.38Å; L374-I400 HydrophobicContact CD1-CG1 4.29Å; L374-M403 HydrophobicContact CD1-SD 3.74Å |
| 375 | K | 90.3 | Very high | 88.4 | Confident | 102 Ų | 102 | 68.5 Ų | 68.5 | 44% | 0.443 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 112.4 | -178.6 | -65.8 | 178.8 | -178.6 | -179 | 0 | 109.1 | T372 F377 G568 V569 | T372-K375 HydrophobicContact CG2-CD 4.5Å; T372-K375 HydrophobicContact CG2-CG 3.63Å; K375-F377 PolarHBondContact O-N 3.37Å; K375-F377 VanDerWaalsContact O-N 3.1Å; K375-G568 PolarHBondContact N-O 3.19Å; K375-V569 HydrophobicContact CB-CG2 4.04Å |
| 376 | D | 89.5 | Confident | 88.7 | Confident | 109 Ų | 109 | 67.9 Ų | 67.9 | 58% | 0.583 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 46.5 | 40.8 | 178 | -57.3 | -36 | 0 | 0 | 0 | 113.6 | V361 S362 S378 | V361-D376 PolarHBondContact O-N 3.47Å; S362-D376 PolarHBondContact OG-N 3.4Å; S362-D376 PolarHBondContact OG-OD1 3.35Å; D376-S378 PolarHBondContact O-N 3.24Å |
| 377 | F | 91.3 | Very high | 89.2 | Confident | 3 Ų | 3 | 65.1 Ų | 65.1 | 1% | 0.013 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 126.4 | -175.9 | 176.8 | -97.7 | 0 | 0 | 0 | 111.5 | F358 N360 V361 L374 K375 L379 I400 L565 V570 | F358-F377 HydrophobicContact CB-CD1 3.83Å; F358-F377 HydrophobicContact CB-CE1 3.85Å; F358-F377 AromaticContact CD1-CD1 3.88Å; F358-F377 HydrophobicContact CD1-CD1 3.88Å; F358-F377 AromaticContact CD1-CE1 3.87Å; F358-F377 HydrophobicContact CD1-CE1 3.87Å; F358-F377 AromaticContact CD2-CE1 3.99Å; F358-F377 HydrophobicContact CD2-CE1 3.99Å; F358-F377 HydrophobicContact CE1-CE1 4.44Å; F358-F377 AromaticContact CG-CD1 3.91Å; F358-F377 HydrophobicContact CG-CD1 3.91Å; F358-F377 AromaticContact CG-CE1 3.64Å; F358-F377 HydrophobicContact CG-CE1 3.64Å; N360-F377 PolarHBondContact N-O 3.1Å; V361-F377 HydrophobicContact CB-CB 4.41Å; V361-F377 PolarHBondContact N-O 3.42Å; V361-F377 WeakPolarHBondContact O-CB 3.37Å; V361-F377 PolarHBondContact O-N 3.37Å; L374-F377 HydrophobicContact CB-CB 4.4Å; K375-F377 PolarHBondContact O-N 3.37Å; K375-F377 VanDerWaalsContact O-N 3.1Å; F377-L379 HydrophobicContact CE1-CB 3.84Å; F377-L379 HydrophobicContact CE1-CD2 4.42Å; F377-L379 HydrophobicContact CZ-CB 3.68Å; F377-L379 HydrophobicContact CZ-CD2 3.86Å; F377-L379 HydrophobicContact CZ-CG 4.4Å; F377-I400 HydrophobicContact CE1-CD1 3.93Å; F377-I400 HydrophobicContact CE1-CG1 4.17Å; F377-I400 HydrophobicContact CE2-CD1 3.89Å; F377-I400 HydrophobicContact CZ-CD1 3.48Å; F377-I400 VanDerWaalsContact CZ-CD1 3.48Å; F377-I400 HydrophobicContact CZ-CG1 4.22Å; F377-L565 HydrophobicContact CD2-CD2 3.98Å; F377-L565 HydrophobicContact CE2-CD2 3.78Å; F377-V570 HydrophobicContact CD2-CG2 3.65Å; F377-V570 HydrophobicContact CE2-CG2 3.41Å; F377-V570 VanDerWaalsContact CE2-CG2 3.41Å |
| 378 | S | 91.9 | Very high | 90 | Very high | 56 Ų | 56 | 61.8 Ų | 61.8 | 39% | 0.392 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 133.2 | 177 | -67.6 | 0 | 0 | 0 | 0 | 110.7 | F358 N360 D376 | F358-S378 VanDerWaalsContact O-CA 3.24Å; F358-S378 WeakPolarHBondContact O-CA 3.44Å; N360-S378 PolarHBondContact N-OG 3.16Å; N360-S378 PolarHBondContact OD1-OG 2.91Å; N360-S378 VanDerWaalsContact OD1-OG 3.09Å; D376-S378 PolarHBondContact O-N 3.24Å |
| 379 | L | 91.1 | Very high | 90.4 | Very high | 16 Ų | 16 | 53.7 Ų | 53.7 | 8% | 0.084 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 135.8 | -178.1 | 176.8 | 64.8 | 0 | 0 | 0 | 110.1 | A357 F358 F377 I381 I387 L389 L561 I563 | A357-L379 CarbonylContact C-O 3.38Å; A357-L379 WeakPolarHBondContact CA-O 3.39Å; F358-L379 HydrophobicContact CB-CB 4.43Å; F358-L379 HydrophobicContact CD2-CB 4.35Å; F358-L379 PolarHBondContact N-O 3.21Å; F358-L379 PolarHBondContact O-N 3.43Å; F358-L379 VanDerWaalsContact O-N 3.09Å; F377-L379 HydrophobicContact CE1-CB 3.84Å; F377-L379 HydrophobicContact CE1-CD2 4.42Å; F377-L379 HydrophobicContact CZ-CB 3.68Å; F377-L379 HydrophobicContact CZ-CD2 3.86Å; F377-L379 HydrophobicContact CZ-CG 4.4Å; L379-I381 HydrophobicContact CD2-CD1 4.27Å; L379-I381 HydrophobicContact CD2-CG1 4.31Å; L379-I381 HydrophobicContact CG-CG1 4.28Å; L379-I387 HydrophobicContact CD2-CG2 4.48Å; L379-L389 HydrophobicContact CD2-CD2 4.47Å; L379-L561 HydrophobicContact CD1-CD2 4.48Å; L379-I563 HydrophobicContact CD1-CD1 3.72Å; L379-I563 HydrophobicContact CD1-CG1 3.86Å; L379-I563 HydrophobicContact CD2-CG1 4.38Å |
| 380 | T | 92.5 | Very high | 90.8 | Very high | 95 Ų | 95 | 49.5 Ų | 49.5 | 58% | 0.583 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116 | 130.3 | 174.4 | -52.7 | 0 | 0 | 0 | 0 | 110.3 | A357 | A357-T380 HydrophobicContact CB-CG2 4.47Å |
| 381 | I | 92.7 | Very high | 90.9 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 119.5 | -178 | -41.2 | -166.4 | 0 | 0 | 0 | 108 | N355 V356 L379 I387 T545 V547 | N355-I381 WeakPolarHBondContact CA-O 3.38Å; V356-I381 HydrophobicContact CB-CB 4.01Å; V356-I381 HydrophobicContact CB-CD1 4.17Å; V356-I381 HydrophobicContact CB-CG1 4.08Å; V356-I381 HydrophobicContact CG1-CD1 4.23Å; V356-I381 HydrophobicContact CG1-CG1 4.41Å; V356-I381 PolarHBondContact N-O 3.38Å; V356-I381 PolarHBondContact O-N 3.14Å; L379-I381 HydrophobicContact CD2-CD1 4.27Å; L379-I381 HydrophobicContact CD2-CG1 4.31Å; L379-I381 HydrophobicContact CG-CG1 4.28Å; I381-I387 HydrophobicContact CB-CD1 3.72Å; I381-I387 HydrophobicContact CD1-CD1 3.92Å; I381-I387 HydrophobicContact CG1-CD1 3.5Å; I381-I387 VanDerWaalsContact CG1-CD1 3.5Å; I381-I387 HydrophobicContact CG2-CD1 3.52Å; I381-I387 HydrophobicContact CG2-CG1 4.06Å; I381-T545 HydrophobicContact CG2-CG2 3.42Å; I381-T545 VanDerWaalsContact CG2-CG2 3.42Å; I381-V547 HydrophobicContact CD1-CG2 3.69Å |
| 382 | K | 91.7 | Very high | 90.9 | Very high | 145 Ų | 145 | 41 Ų | 41 | 63% | 0.63 | 24% | 0.238 | S | C | * | . | trans | -87.8 | 153.1 | 178 | -63.6 | -179.4 | -179.4 | 177.9 | 0 | 111.1 | G384 Q385 | K382-G384 PolarHBondContact O-N 3.39Å; K382-Q385 VanDerWaalsContact N-OE1 3.16Å; K382-Q385 WeakPolarHBondContact O-CB 3.37Å; K382-Q385 PolarHBondContact O-N 3.17Å; K382-Q385 VanDerWaalsContact O-N 3.12Å | ||
| 383 | S | 91.1 | Very high | 90.6 | Very high | 64 Ų | 64 | 43.2 Ų | 43.2 | 45% | 0.448 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 131.7 | 173.8 | -177.6 | 0 | 0 | 0 | 0 | 111.9 | S353 N355 Q385 T545 | S353-S383 WeakPolarHBondContact O-CB 3.35Å; S353-S383 PolarHBondContact O-OG 2.98Å; N355-S383 PolarHBondContact OD1-N 3.5Å; S383-Q385 PolarHBondContact O-N 3.33Å; S383-T545 WeakPolarHBondContact CA-OG1 3.27Å |
| 384 | G | 89.3 | Confident | 90 | Very high | 42 Ų | 42 | 45.1 Ų | 45.1 | 43% | 0.433 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | -0.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | K382 T545 | K382-G384 PolarHBondContact O-N 3.39Å; G384-T545 PolarHBondContact N-OG1 2.95Å |
| 385 | Q | 91.7 | Very high | 89.6 | Confident | 35 Ų | 35 | 45.2 Ų | 45.2 | 16% | 0.164 | 29% | 0.285 | C | S | . | . | trans | -80.9 | 139.6 | 178.2 | -166.1 | 178.8 | -1.7 | 0 | 0 | 111.2 | K382 S383 I387 V546 N560 | K382-Q385 VanDerWaalsContact N-OE1 3.16Å; K382-Q385 WeakPolarHBondContact O-CB 3.37Å; K382-Q385 PolarHBondContact O-N 3.17Å; K382-Q385 VanDerWaalsContact O-N 3.12Å; S383-Q385 PolarHBondContact O-N 3.33Å; Q385-I387 HydrophobicContact CG-CG1 4.08Å; Q385-V546 PolarHBondContact O-N 3.35Å; Q385-N560 HydrophobicContact CG-CB 3.77Å | ||
| 386 | T | 92.8 | Very high | 89.3 | Confident | 30 Ų | 30 | 40.6 Ų | 40.6 | 18% | 0.184 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 115.1 | 167.8 | -61.2 | 0 | 0 | 0 | 0 | 109.8 | V546 A559 N560 L561 | T386-V546 CarbonylContact C-O 3.59Å; T386-V546 WeakPolarHBondContact CA-O 3.18Å; T386-V546 HydrophobicContact CG2-CB 4.11Å; T386-V546 HydrophobicContact CG2-CG1 4.37Å; T386-A559 HydrophobicContact CG2-CB 4.22Å; T386-N560 PolarHBondContact N-OD1 3.22Å; T386-N560 PolarHBondContact O-N 3.33Å; T386-L561 PolarHBondContact O-N 2.98Å |
| 387 | I | 93.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 129.4 | 177.9 | -61.1 | -168.8 | 0 | 0 | 0 | 110.4 | L379 I381 Q385 L389 V546 V547 V548 L561 I563 | L379-I387 HydrophobicContact CD2-CG2 4.48Å; I381-I387 HydrophobicContact CB-CD1 3.72Å; I381-I387 HydrophobicContact CD1-CD1 3.92Å; I381-I387 HydrophobicContact CG1-CD1 3.5Å; I381-I387 VanDerWaalsContact CG1-CD1 3.5Å; I381-I387 HydrophobicContact CG2-CD1 3.52Å; I381-I387 HydrophobicContact CG2-CG1 4.06Å; Q385-I387 HydrophobicContact CG-CG1 4.08Å; I387-L389 HydrophobicContact CG2-CD2 4.47Å; I387-V546 PolarHBondContact N-O 3Å; I387-V547 WeakPolarHBondContact O-CA 3.39Å; I387-V548 WeakPolarHBondContact O-CG1 3.44Å; I387-V548 PolarHBondContact O-N 3.48Å; I387-L561 CarbonylContact C-O 3.56Å; I387-L561 VanDerWaalsContact CA-O 3.32Å; I387-L561 WeakPolarHBondContact CA-O 3.35Å; I387-L561 HydrophobicContact CD1-CD2 4.28Å; I387-L561 HydrophobicContact CG1-CB 4.36Å; I387-I563 HydrophobicContact CG2-CG1 4.05Å |
| 388 | A | 93.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 130.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V548 V556 A559 L561 I562 I563 | A388-V548 CarbonylContact C-O 3.58Å; A388-V548 WeakPolarHBondContact CA-O 3.32Å; A388-V548 HydrophobicContact CB-CG1 3.82Å; A388-V556 HydrophobicContact CB-CB 3.52Å; A388-V556 HydrophobicContact CB-CG1 3.45Å; A388-V556 VanDerWaalsContact CB-CG1 3.45Å; A388-A559 HydrophobicContact CB-CB 3.65Å; A388-L561 PolarHBondContact N-O 3.44Å; A388-I562 HydrophobicContact CB-CG1 4.17Å; A388-I562 CarbonylContact O-C 3.57Å; A388-I562 WeakPolarHBondContact O-CA 3.39Å; A388-I563 PolarHBondContact O-N 3.01Å |
| 389 | L | 92.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 115.4 | 174.2 | -59.1 | 174.3 | 0 | 0 | 0 | 108.9 | L379 I387 I400 V547 V548 V549 I563 L565 | L379-L389 HydrophobicContact CD2-CD2 4.47Å; I387-L389 HydrophobicContact CG2-CD2 4.47Å; L389-I400 HydrophobicContact CD1-CB 3.87Å; L389-I400 HydrophobicContact CD1-CD1 3.79Å; L389-I400 HydrophobicContact CD1-CG1 4.44Å; L389-I400 HydrophobicContact CD1-CG2 3.84Å; L389-I400 HydrophobicContact CD2-CD1 4Å; L389-V547 HydrophobicContact CD1-CG1 3.81Å; L389-V547 HydrophobicContact CG-CG1 4.3Å; L389-V548 PolarHBondContact N-O 2.73Å; L389-V549 HydrophobicContact CB-CG2 4.02Å; L389-V549 HydrophobicContact CD1-CG2 3.85Å; L389-V549 HydrophobicContact CG-CG2 4.48Å; L389-I563 HydrophobicContact CD2-CB 3.97Å; L389-I563 HydrophobicContact CD2-CG1 4.45Å; L389-I563 HydrophobicContact CD2-CG2 4.27Å; L389-L565 HydrophobicContact CD2-CD1 4.47Å |
| 390 | V | 91.1 | Very high | 89.4 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 159.3 | -178.5 | -63.4 | 0 | 0 | 0 | 0 | 110.6 | L553 V556 I562 I563 V564 L565 Y586 | V390-L553 HydrophobicContact CB-CD2 4.29Å; V390-L553 HydrophobicContact CG1-CD2 3.94Å; V390-V556 HydrophobicContact CG1-CG1 4.29Å; V390-V556 HydrophobicContact CG1-CG2 4.01Å; V390-I562 HydrophobicContact CG1-CG2 4.35Å; V390-I562 HydrophobicContact CG2-CG2 3.56Å; V390-I563 PolarHBondContact N-O 2.73Å; V390-V564 HydrophobicContact CG2-CB 4.22Å; V390-V564 HydrophobicContact CG2-CG1 4.38Å; V390-V564 HydrophobicContact CG2-CG2 3.76Å; V390-V564 CarbonylContact O-C 3.57Å; V390-V564 WeakPolarHBondContact O-CA 3.38Å; V390-L565 PolarHBondContact O-N 2.78Å; V390-Y586 HydrophobicContact CG2-CD2 4Å; V390-Y586 HydrophobicContact CG2-CE2 4.34Å |
| 391 | G | 87.2 | Confident | 89.4 | Confident | 14 Ų | 14 | 29.8 Ų | 29.8 | 14% | 0.144 | 20% | 0.202 | C | C | . | . | trans | 150.6 | 173.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | K397 L565 | G391-K397 PolarHBondContact O-NZ 3.11Å; G391-L565 WeakPolarHBondContact CA-O 3.34Å | ||
| 392 | P | 84.1 | Confident | 89.3 | Confident | 50 Ų | 50 | 30.6 Ų | 30.6 | 33% | 0.325 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -63.1 | 162.8 | -179.9 | -17.1 | 31.7 | 0 | 0 | 0 | 112.2 | G394 S395 K397 L565 M589 | P392-G394 PolarHBondContact O-N 3.32Å; P392-S395 WeakPolarHBondContact O-CB 3.41Å; P392-S395 PolarHBondContact O-N 3.21Å; P392-S395 PolarHBondContact O-OG 3.11Å; P392-K397 PolarHBondContact O-NZ 3.34Å; P392-L565 WeakPolarHBondContact CD-O 3.21Å; P392-M589 HydrophobicContact CG-CE 3.6Å |
| 393 | S | 81.7 | Confident | 89.4 | Confident | 112 Ų | 112 | 23.8 Ų | 23.8 | 78% | 0.783 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 135.6 | 171.3 | -62.1 | 0 | 0 | 0 | 0 | 110.8 | S395 | S393-S395 VanDerWaalsContact C-N 3.35Š|
| 394 | G | 78.6 | Confident | 89.5 | Confident | 71 Ų | 71 | 20.8 Ų | 20.8 | 73% | 0.732 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | 6.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | P392 G396 | P392-G394 PolarHBondContact O-N 3.32Å; G394-G396 PolarHBondContact O-N 2.77Å |
| 395 | S | 84 | Confident | 89.7 | Confident | 3 Ų | 3 | 19 Ų | 19 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -74.2 | -6.6 | 178 | 67.2 | 0 | 0 | 0 | 0 | 115.5 | P392 S393 K397 L565 G568 | P392-S395 WeakPolarHBondContact O-CB 3.41Å; P392-S395 PolarHBondContact O-N 3.21Å; P392-S395 PolarHBondContact O-OG 3.11Å; S393-S395 VanDerWaalsContact C-N 3.35Å; S395-K397 WeakPolarHBondContact OG-CG 3.48Å; S395-L565 WeakPolarHBondContact CB-O 3.4Å; S395-L565 PolarHBondContact OG-O 3.37Å; S395-G568 WeakPolarHBondContact O-CA 3.39Å; S395-G568 PolarHBondContact O-N 3.38Å |
| 396 | G | 84.7 | Confident | 89.8 | Confident | 5 Ų | 5 | 18.1 Ų | 18.1 | 5% | 0.052 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 102.1 | 9.4 | 178 | 0 | 0 | 0 | 0 | 0 | 116.1 | G394 T399 I400 | G394-G396 PolarHBondContact O-N 2.77Å; G396-T399 WeakPolarHBondContact O-CB 3.36Å; G396-T399 PolarHBondContact O-N 3.48Å; G396-I400 PolarHBondContact O-N 3.01Å |
| 397 | K | 90 | Very high | 89.8 | Confident | 14 Ų | 14 | 16.8 Ų | 16.8 | 6% | 0.061 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -54.5 | -60.7 | -177.3 | -52.5 | -176.7 | -67.5 | -83.5 | 0 | 113.9 | G391 P392 S395 T399 I400 V549 L565 | G391-K397 PolarHBondContact O-NZ 3.11Å; P392-K397 PolarHBondContact O-NZ 3.34Å; S395-K397 WeakPolarHBondContact OG-CG 3.48Å; K397-T399 PolarHBondContact O-N 3.47Å; K397-I400 WeakPolarHBondContact O-CB 3.46Å; K397-I400 PolarHBondContact O-N 3.05Å; K397-I400 VanDerWaalsContact O-N 3.12Å; K397-V549 HydrophobicContact CB-CG1 3.63Å; K397-V549 HydrophobicContact CB-CG2 4.05Å; K397-V549 HydrophobicContact CD-CG1 4.13Å; K397-L565 HydrophobicContact CG-CD1 4.13Å |
| 398 | S | 90.2 | Very high | 89.7 | Confident | 31 Ų | 31 | 17 Ų | 17 | 22% | 0.217 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.1 | -23.4 | 179.1 | -50 | 0 | 0 | 0 | 0 | 112.6 | I400 I401 H402 D519 | S398-I400 VanDerWaalsContact C-N 3.26Å; S398-I400 PolarHBondContact O-N 3.12Å; S398-I401 PolarHBondContact O-N 3.42Å; S398-H402 VanDerWaalsContact O-CG 3.27Å; S398-H402 PolarHBondContact O-N 3.39Å; S398-D519 WeakPolarHBondContact CB-OD1 3.36Å; S398-D519 PolarHBondContact OG-OD1 3.16Å |
| 399 | T | 91.5 | Very high | 89.6 | Confident | 7 Ų | 7 | 19.2 Ų | 19.2 | 4% | 0.043 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.3 | -37.4 | 173.6 | -52.7 | 0 | 0 | 0 | 0 | 111.4 | F363 Y365 I373 L374 G396 K397 H402 M403 | F363-T399 HydrophobicContact CD1-CG2 3.32Å; F363-T399 HydrophobicContact CE1-CG2 3.61Å; F363-T399 HydrophobicContact CG-CG2 4.13Å; Y365-T399 HydrophobicContact CE2-CG2 4.41Å; Y365-T399 PolarHBondContact OH-OG1 2.98Å; I373-T399 HydrophobicContact CG2-CG2 4.27Å; I373-T399 WeakPolarHBondContact CG2-OG1 3.42Å; L374-T399 HydrophobicContact CD1-CG2 4.01Å; L374-T399 HydrophobicContact CG-CG2 4.38Å; G396-T399 WeakPolarHBondContact O-CB 3.36Å; G396-T399 PolarHBondContact O-N 3.48Å; K397-T399 PolarHBondContact O-N 3.47Å; T399-H402 PolarHBondContact O-N 3.34Å; T399-M403 HydrophobicContact CG2-SD 4.38Å; T399-M403 VanDerWaalsContact O-CG 3.32Å; T399-M403 WeakPolarHBondContact O-CG 3.38Å; T399-M403 PolarHBondContact O-N 3.26Å |
| 400 | I | 92.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.8 | -45.2 | 176 | -65.4 | 165.6 | 0 | 0 | 0 | 110.2 | F358 L374 F377 L389 G396 K397 S398 H402 M403 L404 L565 | F358-I400 HydrophobicContact CE1-CG2 4.31Å; F358-I400 HydrophobicContact CE2-CG2 4.05Å; F358-I400 HydrophobicContact CZ-CG2 3.65Å; L374-I400 HydrophobicContact CD1-CG1 4.29Å; F377-I400 HydrophobicContact CE1-CD1 3.93Å; F377-I400 HydrophobicContact CE1-CG1 4.17Å; F377-I400 HydrophobicContact CE2-CD1 3.89Å; F377-I400 HydrophobicContact CZ-CD1 3.48Å; F377-I400 VanDerWaalsContact CZ-CD1 3.48Å; F377-I400 HydrophobicContact CZ-CG1 4.22Å; L389-I400 HydrophobicContact CD1-CB 3.87Å; L389-I400 HydrophobicContact CD1-CD1 3.79Å; L389-I400 HydrophobicContact CD1-CG1 4.44Å; L389-I400 HydrophobicContact CD1-CG2 3.84Å; L389-I400 HydrophobicContact CD2-CD1 4Å; G396-I400 PolarHBondContact O-N 3.01Å; K397-I400 WeakPolarHBondContact O-CB 3.46Å; K397-I400 PolarHBondContact O-N 3.05Å; K397-I400 VanDerWaalsContact O-N 3.12Å; S398-I400 VanDerWaalsContact C-N 3.26Å; S398-I400 PolarHBondContact O-N 3.12Å; I400-H402 VanDerWaalsContact C-N 3.32Å; I400-H402 PolarHBondContact O-N 3.07Å; I400-M403 PolarHBondContact O-N 3.35Å; I400-L404 HydrophobicContact CG2-CD1 4.41Å; I400-L404 WeakPolarHBondContact O-CG 3.48Å; I400-L404 PolarHBondContact O-N 3.29Å; I400-L565 HydrophobicContact CD1-CD1 3.55Å |
| 401 | I | 92.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.7 | -40.9 | 174.9 | -72.4 | -176.8 | 0 | 0 | 0 | 111.6 | S398 M403 L404 Q405 L517 D519 V549 | S398-I401 PolarHBondContact O-N 3.42Å; I401-M403 VanDerWaalsContact C-N 3.35Å; I401-L404 PolarHBondContact O-N 2.79Å; I401-Q405 VanDerWaalsContact CG2-NE2 3.28Å; I401-Q405 WeakPolarHBondContact O-CG 3.41Å; I401-Q405 PolarHBondContact O-N 3.5Å; I401-Q405 VanDerWaalsContact O-N 3.08Å; I401-Q405 PolarHBondContact O-NE2 2.86Å; I401-L517 HydrophobicContact CG2-CB 4.33Å; I401-L517 HydrophobicContact CG2-CD1 4.31Å; I401-D519 HydrophobicContact CD1-CB 3.56Å; I401-D519 HydrophobicContact CG2-CB 4.31Å; I401-V549 HydrophobicContact CD1-CB 4.05Å; I401-V549 HydrophobicContact CD1-CG2 3.4Å; I401-V549 HydrophobicContact CG1-CG2 3.95Å |
| 402 | H | 92.2 | Very high | 89.8 | Confident | 19 Ų | 19 | 26.6 Ų | 26.6 | 9% | 0.088 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.7 | -36.9 | 176.5 | -63.6 | 160.9 | 0 | 0 | 0 | 112.6 | Y365 S398 T399 I400 Q405 R406 F407 Y408 | Y365-H402 PolarHBondContact OH-ND1 3.08Å; Y365-H402 VanDerWaalsContact OH-ND1 3.16Å; S398-H402 VanDerWaalsContact O-CG 3.27Å; S398-H402 PolarHBondContact O-N 3.39Å; T399-H402 PolarHBondContact O-N 3.34Å; I400-H402 VanDerWaalsContact C-N 3.32Å; I400-H402 PolarHBondContact O-N 3.07Å; H402-Q405 PolarHBondContact O-N 3.4Å; H402-R406 PolarHBondContact O-N 3.21Å; H402-F407 HydrophobicContact CB-CB 4.37Å; H402-F407 HydrophobicContact CB-CD2 4.34Å; H402-F407 WeakPolarHBondContact O-CB 3.31Å; H402-F407 PolarHBondContact O-N 3.24Å; H402-Y408 HydrophobicContact CB-CD2 3.81Å; H402-Y408 HydrophobicContact CB-CE2 3.88Å |
| 403 | M | 92.6 | Very high | 90.1 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.8 | -38 | 175.3 | -70.2 | -177.9 | 112 | 0 | 0 | 111.9 | F358 V361 F363 L374 T399 I400 I401 Q405 R406 P410 | F358-M403 HydrophobicContact CE1-CB 4.28Å; V361-M403 HydrophobicContact CG1-CE 3.58Å; V361-M403 HydrophobicContact CG1-SD 3.88Å; F363-M403 HydrophobicContact CB-CE 3.87Å; F363-M403 HydrophobicContact CB-SD 4.27Å; F363-M403 HydrophobicContact CD2-CE 3.72Å; F363-M403 HydrophobicContact CG-CE 3.94Å; F363-M403 HydrophobicContact CG-SD 4.33Å; L374-M403 HydrophobicContact CD1-SD 3.74Å; T399-M403 HydrophobicContact CG2-SD 4.38Å; T399-M403 VanDerWaalsContact O-CG 3.32Å; T399-M403 WeakPolarHBondContact O-CG 3.38Å; T399-M403 PolarHBondContact O-N 3.26Å; I400-M403 PolarHBondContact O-N 3.35Å; I401-M403 VanDerWaalsContact C-N 3.35Å; M403-Q405 VanDerWaalsContact C-N 3.29Å; M403-Q405 PolarHBondContact O-N 3.13Å; M403-R406 WeakPolarHBondContact O-CA 2.91Å; M403-R406 PolarHBondContact O-N 3Å; M403-P410 VanDerWaalsContact CE-CA 3.43Å; M403-P410 HydrophobicContact CE-CB 3.55Å; M403-P410 HydrophobicContact CE-CG 4.32Å |
| 404 | L | 93.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.2 | -33.9 | 172.6 | -68.8 | 175.7 | 0 | 0 | 0 | 112.5 | V356 F358 I400 I401 R406 V415 Y430 L517 V547 | V356-L404 HydrophobicContact CG1-CD2 3.47Å; V356-L404 VanDerWaalsContact CG1-CD2 3.47Å; V356-L404 HydrophobicContact CG2-CD2 4.48Å; F358-L404 HydrophobicContact CE2-CD2 3.76Å; F358-L404 HydrophobicContact CE2-CG 4.32Å; F358-L404 HydrophobicContact CZ-CD2 3.56Å; F358-L404 HydrophobicContact CZ-CG 3.85Å; I400-L404 HydrophobicContact CG2-CD1 4.41Å; I400-L404 WeakPolarHBondContact O-CG 3.48Å; I400-L404 PolarHBondContact O-N 3.29Å; I401-L404 PolarHBondContact O-N 2.79Å; L404-R406 PolarHBondContact O-N 2.84Å; L404-V415 HydrophobicContact CD2-CG1 4.47Å; L404-Y430 WeakPolarHBondContact O-CE1 3.46Å; L404-Y430 VanDerWaalsContact O-CZ 3.29Å; L404-Y430 PolarHBondContact O-OH 2.82Å; L404-L517 HydrophobicContact CB-CD1 4.03Å; L404-L517 HydrophobicContact CB-CD2 4.36Å; L404-L517 HydrophobicContact CD1-CD2 3.65Å; L404-V547 HydrophobicContact CD1-CB 4.38Å; L404-V547 HydrophobicContact CD1-CG1 4.34Å; L404-V547 HydrophobicContact CD1-CG2 4.01Å |
| 405 | Q | 92.8 | Very high | 91.5 | Very high | 5 Ų | 5 | 20.6 Ų | 20.6 | 2% | 0.023 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -3.4 | 172.3 | -70.1 | 174.5 | 90.7 | 0 | 0 | 113.3 | I401 H402 M403 F407 R431 L517 T881 | I401-Q405 VanDerWaalsContact CG2-NE2 3.28Å; I401-Q405 WeakPolarHBondContact O-CG 3.41Å; I401-Q405 PolarHBondContact O-N 3.5Å; I401-Q405 VanDerWaalsContact O-N 3.08Å; I401-Q405 PolarHBondContact O-NE2 2.86Å; H402-Q405 PolarHBondContact O-N 3.4Å; M403-Q405 VanDerWaalsContact C-N 3.29Å; M403-Q405 PolarHBondContact O-N 3.13Å; Q405-F407 HydrophobicContact CB-CD1 3.89Å; Q405-F407 HydrophobicContact CB-CD2 4.33Å; Q405-F407 HydrophobicContact CB-CE1 3.9Å; Q405-F407 HydrophobicContact CB-CE2 4.35Å; Q405-F407 HydrophobicContact CB-CG 4.13Å; Q405-F407 HydrophobicContact CB-CZ 4.16Å; Q405-F407 PolarHBondContact O-N 2.93Å; Q405-R431 PolarHBondContact O-NE 2.97Å; Q405-R431 VanDerWaalsContact O-NE 3.15Å; Q405-R431 PolarHBondContact O-NH2 2.81Å; Q405-R431 VanDerWaalsContact O-NH2 3.1Å; Q405-L517 HydrophobicContact CG-CD1 3.71Å; Q405-T881 PolarHBondContact OE1-OG1 3.34Å |
| 406 | R | 93.4 | Very high | 91.9 | Very high | 16 Ų | 16 | 20.8 Ų | 20.8 | 6% | 0.06 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 47 | -171 | -160.5 | -172.2 | 173.2 | -172.6 | -12 | 111.4 | I340 H402 M403 L404 Y408 D409 I422 K423 L425 L427 R431 | I340-R406 HydrophobicContact CG2-CG 4.48Å; H402-R406 PolarHBondContact O-N 3.21Å; M403-R406 WeakPolarHBondContact O-CA 2.91Å; M403-R406 PolarHBondContact O-N 3Å; L404-R406 PolarHBondContact O-N 2.84Å; R406-Y408 VanDerWaalsContact C-N 3.32Å; R406-D409 IonicContact NE-OD1 2.65Å; R406-I422 HydrophobicContact CB-CD1 3.89Å; R406-I422 HydrophobicContact CB-CG1 4.3Å; R406-I422 WeakPolarHBondContact CD-O 3.44Å; R406-I422 HydrophobicContact CG-CD1 4.36Å; R406-I422 HydrophobicContact CG-CG1 4.41Å; R406-I422 HydrophobicContact CG-CG2 4.46Å; R406-I422 VanDerWaalsContact CZ-O 3.23Å; R406-I422 PolarHBondContact NE-O 3.39Å; R406-I422 PolarHBondContact NH1-O 3.26Å; R406-K423 VanDerWaalsContact CZ-O 3.31Å; R406-K423 PolarHBondContact NH1-O 2.95Å; R406-K423 VanDerWaalsContact NH2-CA 3.28Å; R406-K423 PolarHBondContact NH2-O 3.48Å; R406-L425 PolarHBondContact NH1-O 3.28Å; R406-L427 HydrophobicContact CB-CD1 3.93Å; R406-L427 HydrophobicContact CG-CD1 4.45Å; R406-R431 PolarHBondContact O-NH2 2.89Å |
| 407 | F | 92.7 | Very high | 92.3 | Very high | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.009 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -76.1 | -28.7 | 167.8 | -72 | -9.6 | 0 | 0 | 0 | 111.3 | I125 P126 I340 H402 Q405 R877 T880 T881 | I125-F407 HydrophobicContact CB-CB 4.16Å; I125-F407 HydrophobicContact CB-CG 4.43Å; I125-F407 HydrophobicContact CG1-CB 3.94Å; I125-F407 HydrophobicContact CG1-CD1 3.76Å; I125-F407 HydrophobicContact CG1-CD2 4.2Å; I125-F407 HydrophobicContact CG1-CE1 4.23Å; I125-F407 HydrophobicContact CG1-CG 3.72Å; P126-F407 WeakPolarHBondContact CD-O 3.38Å; I340-F407 WeakPolarHBondContact CD1-O 3.47Å; H402-F407 HydrophobicContact CB-CB 4.37Å; H402-F407 HydrophobicContact CB-CD2 4.34Å; H402-F407 WeakPolarHBondContact O-CB 3.31Å; H402-F407 PolarHBondContact O-N 3.24Å; Q405-F407 HydrophobicContact CB-CD1 3.89Å; Q405-F407 HydrophobicContact CB-CD2 4.33Å; Q405-F407 HydrophobicContact CB-CE1 3.9Å; Q405-F407 HydrophobicContact CB-CE2 4.35Å; Q405-F407 HydrophobicContact CB-CG 4.13Å; Q405-F407 HydrophobicContact CB-CZ 4.16Å; Q405-F407 PolarHBondContact O-N 2.93Å; F407-R877 HydrophobicContact CE2-CB 4.27Å; F407-R877 HydrophobicContact CE2-CG 4.38Å; F407-R877 HydrophobicContact CZ-CB 4.43Å; F407-T880 HydrophobicContact CD1-CG2 4.38Å; F407-T880 HydrophobicContact CE1-CG2 3.79Å; F407-T881 WeakPolarHBondContact CZ-OG1 3.45Å |
| 408 | Y | 92.7 | Very high | 92.3 | Very high | 5 Ų | 5 | 21.9 Ų | 21.9 | 2% | 0.02 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -137.5 | 144.7 | 176.9 | -49.4 | -91.9 | 0 | 0 | 0 | 109.2 | I125 P126 D129 F363 Y365 H402 R406 | I125-Y408 HydrophobicContact CG2-CE2 4.44Å; I125-Y408 WeakPolarHBondContact CG2-OH 3.34Å; P126-Y408 HydrophobicContact CG-CD1 3.68Å; P126-Y408 HydrophobicContact CG-CE1 3.86Å; D129-Y408 WeakPolarHBondContact OD2-CE1 3.19Å; D129-Y408 PolarHBondContact OD2-OH 3.38Å; F363-Y408 VanDerWaalsContact CE2-CB 3.42Å; F363-Y408 HydrophobicContact CE2-CD1 4.35Å; F363-Y408 HydrophobicContact CE2-CG 4.03Å; F363-Y408 AromaticContact CZ-CD1 3.85Å; F363-Y408 HydrophobicContact CZ-CD1 3.85Å; F363-Y408 HydrophobicContact CZ-CD2 4.3Å; F363-Y408 AromaticContact CZ-CG 3.65Å; F363-Y408 HydrophobicContact CZ-CG 3.65Å; Y365-Y408 HydrophobicContact CD1-CD1 4.34Å; Y365-Y408 AromaticContact CD1-CE1 3.88Å; Y365-Y408 HydrophobicContact CD1-CE1 3.88Å; Y365-Y408 HydrophobicContact CD1-CE2 4.41Å; Y365-Y408 AromaticContact CD1-CZ 3.93Å; Y365-Y408 HydrophobicContact CE1-CD1 4.45Å; Y365-Y408 HydrophobicContact CE1-CD2 4.17Å; Y365-Y408 HydrophobicContact CE1-CE1 4Å; Y365-Y408 AromaticContact CE1-CE2 3.69Å; Y365-Y408 HydrophobicContact CE1-CE2 3.69Å; Y365-Y408 AromaticContact CE1-CZ 3.6Å; H402-Y408 HydrophobicContact CB-CD2 3.81Å; H402-Y408 HydrophobicContact CB-CE2 3.88Å; R406-Y408 VanDerWaalsContact C-N 3.32Å |
| 409 | D | 91.6 | Very high | 92.1 | Very high | 47 Ų | 47 | 27.2 Ų | 27.2 | 25% | 0.251 | 16% | 0.157 | S | C | . | . | trans | -91.5 | 149 | 170.6 | -79.1 | -14.5 | 0 | 0 | 0 | 110 | R406 | R406-D409 IonicContact NE-OD1 2.65Š| ||
| 410 | P | 91.6 | Very high | 92.1 | Very high | 10 Ų | 10 | 30.3 Ų | 30.3 | 7% | 0.065 | 17% | 0.171 | C | C | . | . | trans | -65.1 | 147.1 | 173.6 | 27.8 | -35 | 0 | 0 | 0 | 111.9 | V361 M403 | V361-P410 HydrophobicContact CG1-CB 3.86Å; M403-P410 VanDerWaalsContact CE-CA 3.43Å; M403-P410 HydrophobicContact CE-CB 3.55Å; M403-P410 HydrophobicContact CE-CG 4.32Å | ||
| 411 | V | 90.4 | Very high | 92 | Very high | 104 Ų | 104 | 31.7 Ų | 31.7 | 63% | 0.63 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -70.9 | -42.5 | 173.4 | 177.8 | 0 | 0 | 0 | 0 | 110 | S362 V364 | S362-V411 WeakPolarHBondContact O-CB 3.39Å; S362-V411 PolarHBondContact O-N 2.69Å; V364-V411 HydrophobicContact CB-CG2 4.26Å; V364-V411 HydrophobicContact CG2-CG2 4.38Å |
| 412 | S | 91.7 | Very high | 92 | Very high | 55 Ų | 55 | 31.9 Ų | 31.9 | 39% | 0.385 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 158.5 | 170.8 | 67.5 | 0 | 0 | 0 | 0 | 110 | V361 S362 | V361-S412 WeakPolarHBondContact CA-O 3.42Å; S362-S412 WeakPolarHBondContact CB-OG 2.98Å; S362-S412 PolarHBondContact N-O 3.4Å; S362-S412 PolarHBondContact O-N 2.9Å |
| 413 | G | 91.5 | Very high | 91.9 | Very high | 37 Ų | 37 | 34.1 Ų | 34.1 | 38% | 0.381 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 84.3 | -176.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113 | K359 N360 | K359-G413 VanDerWaalsContact O-CA 3.22Å; K359-G413 WeakPolarHBondContact O-CA 3.34Å; N360-G413 WeakPolarHBondContact O-CA 3.33Å |
| 414 | E | 93.9 | Very high | 91.8 | Very high | 68 Ų | 68 | 37.7 Ų | 37.7 | 32% | 0.318 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 149.5 | -177.1 | 57.7 | -177.4 | -172.7 | 0 | 0 | 112.5 | K359 V361 L416 N421 | K359-E414 HydrophobicContact CB-CG 3.93Å; K359-E414 HydrophobicContact CD-CG 4.21Å; K359-E414 WeakPolarHBondContact CD-OE1 3.48Å; K359-E414 PolarHBondContact N-O 3.27Å; K359-E414 IonicContact NZ-OE1 3.34Å; K359-E414 PolarHBondContact O-N 3.42Å; V361-E414 WeakPolarHBondContact CG2-O 3.48Å; E414-L416 HydrophobicContact CB-CD2 4.4Å; E414-L416 HydrophobicContact CG-CD2 4.11Å; E414-L416 HydrophobicContact CG-CG 4.26Å; E414-N421 WeakPolarHBondContact CB-ND2 3.44Å; E414-N421 PolarHBondContact OE2-ND2 3.14Å |
| 415 | V | 94.5 | Very high | 91.7 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 117.7 | 171.4 | -177.1 | 0 | 0 | 0 | 0 | 106.4 | F358 V361 L404 I422 | F358-V415 HydrophobicContact CD1-CG1 4.35Å; F358-V415 HydrophobicContact CD1-CG2 3.7Å; F358-V415 HydrophobicContact CE1-CG1 4.05Å; F358-V415 HydrophobicContact CE1-CG2 3.69Å; F358-V415 HydrophobicContact CZ-CG1 4.16Å; V361-V415 HydrophobicContact CG2-CG2 4.08Å; L404-V415 HydrophobicContact CD2-CG1 4.47Å; V415-I422 HydrophobicContact CB-CB 4.46Å; V415-I422 HydrophobicContact CB-CG2 3.96Å; V415-I422 HydrophobicContact CG1-CD1 4.42Å; V415-I422 HydrophobicContact CG1-CG2 4.49Å; V415-I422 WeakPolarHBondContact O-CB 3.25Å; V415-I422 PolarHBondContact O-N 3.29Å |
| 416 | L | 94 | Very high | 91.6 | Very high | 8 Ų | 8 | 39.5 Ų | 39.5 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 139.5 | -177.7 | -54.4 | 178.1 | 0 | 0 | 0 | 109.9 | V356 A357 K359 E414 E420 N421 | V356-L416 CarbonylContact C-O 3.58Å; V356-L416 WeakPolarHBondContact CA-O 3.48Å; A357-L416 HydrophobicContact CB-CB 4.31Å; A357-L416 PolarHBondContact N-O 2.74Å; A357-L416 PolarHBondContact O-N 2.97Å; K359-L416 HydrophobicContact CD-CD1 3.73Å; E414-L416 HydrophobicContact CB-CD2 4.4Å; E414-L416 HydrophobicContact CG-CD2 4.11Å; E414-L416 HydrophobicContact CG-CG 4.26Å; L416-E420 CarbonylContact C-O 3.58Å; L416-E420 VanDerWaalsContact CA-O 3.25Å; L416-E420 WeakPolarHBondContact CA-O 3.16Å; L416-N421 HydrophobicContact CD2-CB 4Å |
| 417 | I | 92.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 116.3 | 177.8 | -57.2 | -62.9 | 0 | 0 | 0 | 105.9 | I349 F352 V356 D419 E420 I422 L425 Y430 | I349-I417 HydrophobicContact CD1-CG2 4.03Å; F352-I417 HydrophobicContact CD2-CG2 4.14Å; F352-I417 HydrophobicContact CE2-CG2 3.43Å; F352-I417 VanDerWaalsContact CE2-CG2 3.43Å; F352-I417 HydrophobicContact CZ-CG2 4.34Å; V356-I417 HydrophobicContact CB-CD1 4.28Å; V356-I417 HydrophobicContact CG1-CD1 3.97Å; V356-I417 HydrophobicContact CG2-CD1 3.79Å; I417-D419 PolarHBondContact O-N 3.13Å; I417-E420 PolarHBondContact N-O 3.06Å; I417-E420 PolarHBondContact O-N 3.35Å; I417-I422 HydrophobicContact CG1-CB 4.2Å; I417-I422 HydrophobicContact CG1-CD1 4.26Å; I417-I422 HydrophobicContact CG1-CG1 4.04Å; I417-L425 HydrophobicContact CB-CD1 3.91Å; I417-L425 HydrophobicContact CG1-CD1 4.25Å; I417-L425 HydrophobicContact CG2-CD1 4.15Å; I417-Y430 HydrophobicContact CB-CE2 4.46Å; I417-Y430 HydrophobicContact CD1-CE2 4.11Å; I417-Y430 HydrophobicContact CG1-CE2 3.94Å; I417-Y430 HydrophobicContact CG2-CD2 4.27Å; I417-Y430 HydrophobicContact CG2-CE2 3.81Å |
| 418 | E | 89.2 | Confident | 91.3 | Very high | 42 Ų | 42 | 42.5 Ų | 42.5 | 20% | 0.196 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 45.1 | -171 | -53.2 | -64.1 | 168.5 | 0 | 0 | 112.5 | I349 F352 S353 G354 N355 E420 | I349-E418 HydrophobicContact CD1-CB 4.27Å; I349-E418 HydrophobicContact CD1-CG 4.36Å; I349-E418 HydrophobicContact CG2-CB 4.41Å; I349-E418 HydrophobicContact CG2-CG 4.15Å; F352-E418 HydrophobicContact CD2-CG 4.46Å; S353-E418 VanDerWaalsContact CA-OE1 3.32Å; S353-E418 WeakPolarHBondContact CA-OE1 3.12Å; S353-E418 WeakPolarHBondContact CB-OE1 3.15Å; S353-E418 PolarHBondContact N-OE1 2.89Å; S353-E418 VanDerWaalsContact OG-CD 3.29Å; S353-E418 PolarHBondContact OG-OE1 3.24Å; S353-E418 PolarHBondContact OG-OE2 3.43Å; G354-E418 PolarHBondContact N-OE1 2.8Å; N355-E418 WeakPolarHBondContact CB-OE2 3.42Å; N355-E418 PolarHBondContact N-OE1 2.85Å; N355-E418 PolarHBondContact ND2-OE2 3.08Å; N355-E418 PolarHBondContact O-N 2.9Å; E418-E420 PolarHBondContact O-N 3.31Å |
| 419 | D | 86.5 | Confident | 91.1 | Very high | 143 Ų | 143 | 43.8 Ų | 43.8 | 77% | 0.765 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | -0.7 | -177.1 | -60.1 | -47.1 | 0 | 0 | 0 | 116.7 | I417 | I417-D419 PolarHBondContact O-N 3.13Š|
| 420 | E | 91 | Very high | 91.1 | Very high | 72 Ų | 72 | 42 Ų | 42 | 34% | 0.336 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 140.9 | 171.5 | -70.3 | -162.2 | -168.9 | 0 | 0 | 111.9 | N347 L416 I417 E418 I422 L425 | N347-E420 VanDerWaalsContact CB-OE2 3.23Å; N347-E420 WeakPolarHBondContact CB-OE2 3.28Å; N347-E420 PolarHBondContact ND2-OE2 3.39Å; L416-E420 CarbonylContact C-O 3.58Å; L416-E420 VanDerWaalsContact CA-O 3.25Å; L416-E420 WeakPolarHBondContact CA-O 3.16Å; I417-E420 PolarHBondContact N-O 3.06Å; I417-E420 PolarHBondContact O-N 3.35Å; E418-E420 PolarHBondContact O-N 3.31Å; E420-I422 PolarHBondContact O-N 2.98Å; E420-L425 HydrophobicContact CB-CD2 3.93Å; E420-L425 WeakPolarHBondContact OE2-CD2 3.32Å |
| 421 | N | 91.9 | Very high | 91.1 | Very high | 29 Ų | 29 | 41.9 Ų | 41.9 | 16% | 0.155 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 129.9 | 176.7 | -165.1 | -47.4 | 0 | 0 | 0 | 110.2 | E414 L416 K423 D424 | E414-N421 WeakPolarHBondContact CB-ND2 3.44Å; E414-N421 PolarHBondContact OE2-ND2 3.14Å; L416-N421 HydrophobicContact CD2-CB 4Å; N421-K423 PolarHBondContact O-N 3.06Å; N421-K423 WeakPolarHBondContact OD1-CB 3.37Å; N421-K423 WeakPolarHBondContact OD1-CG 3.46Å; N421-K423 PolarHBondContact OD1-N 2.97Å; N421-D424 PolarHBondContact O-N 3.44Å |
| 422 | I | 92 | Very high | 91 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.015 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -23.5 | 179.1 | -156.7 | 174.8 | 0 | 0 | 0 | 112.2 | R406 V415 I417 E420 D424 Y430 | R406-I422 HydrophobicContact CB-CD1 3.89Å; R406-I422 HydrophobicContact CB-CG1 4.3Å; R406-I422 WeakPolarHBondContact CD-O 3.44Å; R406-I422 HydrophobicContact CG-CD1 4.36Å; R406-I422 HydrophobicContact CG-CG1 4.41Å; R406-I422 HydrophobicContact CG-CG2 4.46Å; R406-I422 VanDerWaalsContact CZ-O 3.23Å; R406-I422 PolarHBondContact NE-O 3.39Å; R406-I422 PolarHBondContact NH1-O 3.26Å; V415-I422 HydrophobicContact CB-CB 4.46Å; V415-I422 HydrophobicContact CB-CG2 3.96Å; V415-I422 HydrophobicContact CG1-CD1 4.42Å; V415-I422 HydrophobicContact CG1-CG2 4.49Å; V415-I422 WeakPolarHBondContact O-CB 3.25Å; V415-I422 PolarHBondContact O-N 3.29Å; I417-I422 HydrophobicContact CG1-CB 4.2Å; I417-I422 HydrophobicContact CG1-CD1 4.26Å; I417-I422 HydrophobicContact CG1-CG1 4.04Å; E420-I422 PolarHBondContact O-N 2.98Å; I422-D424 VanDerWaalsContact C-N 3.33Å; I422-Y430 HydrophobicContact CD1-CE1 3.7Å; I422-Y430 HydrophobicContact CG1-CD1 4.49Å; I422-Y430 HydrophobicContact CG1-CE1 4Å |
| 423 | K | 90.3 | Very high | 91 | Very high | 67 Ų | 67 | 41.2 Ų | 41.2 | 29% | 0.291 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -30.1 | 178 | -71.9 | -180 | 177.5 | 176.2 | 0 | 114.1 | R406 N421 | R406-K423 VanDerWaalsContact CZ-O 3.31Å; R406-K423 PolarHBondContact NH1-O 2.95Å; R406-K423 VanDerWaalsContact NH2-CA 3.28Å; R406-K423 PolarHBondContact NH2-O 3.48Å; N421-K423 PolarHBondContact O-N 3.06Å; N421-K423 WeakPolarHBondContact OD1-CB 3.37Å; N421-K423 WeakPolarHBondContact OD1-CG 3.46Å; N421-K423 PolarHBondContact OD1-N 2.97Å |
| 424 | D | 91 | Very high | 91 | Very high | 76 Ų | 76 | 39.7 Ų | 39.7 | 41% | 0.406 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -11.1 | -173.1 | -60.4 | -44.6 | 0 | 0 | 0 | 113 | G346 N347 N421 I422 | G346-D424 CarbonylContact C-O 3.58Å; G346-D424 WeakPolarHBondContact CA-O 3.46Å; N347-D424 PolarHBondContact N-O 2.84Å; N421-D424 PolarHBondContact O-N 3.44Å; I422-D424 VanDerWaalsContact C-N 3.33Å |
| 425 | L | 90.8 | Very high | 90.9 | Very high | 7 Ų | 7 | 36.5 Ų | 36.5 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -73.6 | 150.5 | 178.4 | -58.2 | -176.4 | 0 | 0 | 0 | 113.4 | N347 I349 R406 I417 E420 L427 Y430 | N347-L425 HydrophobicContact CB-CD2 4.25Å; I349-L425 HydrophobicContact CD1-CD1 3.77Å; I349-L425 HydrophobicContact CD1-CD2 3.67Å; I349-L425 HydrophobicContact CD1-CG 4.39Å; I349-L425 HydrophobicContact CG1-CD2 3.82Å; R406-L425 PolarHBondContact NH1-O 3.28Å; I417-L425 HydrophobicContact CB-CD1 3.91Å; I417-L425 HydrophobicContact CG1-CD1 4.25Å; I417-L425 HydrophobicContact CG2-CD1 4.15Å; E420-L425 HydrophobicContact CB-CD2 3.93Å; E420-L425 WeakPolarHBondContact OE2-CD2 3.32Å; L425-L427 PolarHBondContact O-N 3.46Å; L425-Y430 HydrophobicContact CD1-CD2 4.2Å; L425-Y430 HydrophobicContact CD1-CG 4.42Å |
| 426 | D | 90.9 | Very high | 90.8 | Very high | 36 Ų | 36 | 36.7 Ų | 36.7 | 19% | 0.193 | 19% | 0.187 | C | C | . | . | trans | -66.2 | 115.2 | 164.4 | -175.7 | 95.3 | 0 | 0 | 0 | 109.9 | N347 L348 K428 A429 Y430 | N347-D426 PolarHBondContact O-N 3.02Å; L348-D426 HydrophobicContact CD2-CB 3.89Å; D426-K428 VanDerWaalsContact C-N 3.33Å; D426-K428 PolarHBondContact O-N 3.34Å; D426-K428 PolarHBondContact OD2-N 3.14Å; D426-K428 VanDerWaalsContact OD2-N 3.11Å; D426-A429 HydrophobicContact CB-CB 4.06Å; D426-A429 PolarHBondContact O-N 3.44Å; D426-A429 WeakPolarHBondContact OD2-CB 3.28Å; D426-A429 PolarHBondContact OD2-N 2.99Å; D426-Y430 VanDerWaalsContact O-CB 3.29Å; D426-Y430 WeakPolarHBondContact O-CB 3.3Å; D426-Y430 PolarHBondContact O-N 2.94Å | ||
| 427 | L | 90.5 | Very high | 90.7 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.7 | -31.2 | -169.4 | -172.6 | 52.3 | 0 | 0 | 0 | 113.1 | I340 K342 R406 L425 Y430 R431 | I340-L427 HydrophobicContact CG2-CD2 3.76Å; K342-L427 HydrophobicContact CG-CD2 4.27Å; R406-L427 HydrophobicContact CB-CD1 3.93Å; R406-L427 HydrophobicContact CG-CD1 4.45Å; L425-L427 PolarHBondContact O-N 3.46Å; L427-Y430 HydrophobicContact CD1-CD1 4.32Å; L427-R431 HydrophobicContact CD1-CG 4.27Å; L427-R431 WeakPolarHBondContact O-CB 3.45Å; L427-R431 VanDerWaalsContact O-CG 3.28Å; L427-R431 WeakPolarHBondContact O-CG 3.32Å; L427-R431 PolarHBondContact O-N 3.4Å |
| 428 | K | 88.9 | Confident | 90.6 | Very high | 78 Ų | 78 | 38.1 Ų | 38.1 | 34% | 0.339 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -75.9 | -45.3 | 179.6 | -70.2 | 178.6 | -175.7 | 165.1 | 0 | 110.4 | K342 D343 D426 Y430 R431 N432 T883 | K342-K428 VanDerWaalsContact O-CE 3.31Å; K342-K428 WeakPolarHBondContact O-CE 3Å; D343-K428 IonicContact OD1-NZ 2.73Å; D343-K428 PolarHBondContact OD1-NZ 3.48Å; D426-K428 VanDerWaalsContact C-N 3.33Å; D426-K428 PolarHBondContact O-N 3.34Å; D426-K428 PolarHBondContact OD2-N 3.14Å; D426-K428 VanDerWaalsContact OD2-N 3.11Å; K428-Y430 VanDerWaalsContact C-N 3.33Å; K428-Y430 PolarHBondContact O-N 3.25Å; K428-R431 PolarHBondContact O-N 3.28Å; K428-N432 PolarHBondContact O-N 2.79Å; K428-N432 PolarHBondContact O-ND2 2.87Å; K428-N432 PolarHBondContact O-OD1 3.1Å; K428-T883 HydrophobicContact CB-CG2 4.47Å; K428-T883 HydrophobicContact CG-CG2 4.4Å |
| 429 | A | 88.8 | Confident | 90.4 | Very high | 33 Ų | 33 | 40 Ų | 40 | 27% | 0.273 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.4 | -44.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L348 D426 N432 | L348-A429 HydrophobicContact CD2-CB 3.45Å; L348-A429 VanDerWaalsContact CD2-CB 3.45Å; D426-A429 HydrophobicContact CB-CB 4.06Å; D426-A429 PolarHBondContact O-N 3.44Å; D426-A429 WeakPolarHBondContact OD2-CB 3.28Å; D426-A429 PolarHBondContact OD2-N 2.99Å; A429-N432 PolarHBondContact O-N 2.86Å |
| 430 | Y | 91.7 | Very high | 90.3 | Very high | 9 Ų | 9 | 40 Ų | 40 | 4% | 0.035 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.6 | -50.4 | 176.4 | 172 | -115.8 | 0 | 0 | 0 | 112.4 | F352 L404 I417 I422 L425 D426 L427 K428 N432 Q433 I434 | F352-Y430 HydrophobicContact CE2-CD2 4.14Å; F352-Y430 AromaticContact CE2-CE2 3.98Å; F352-Y430 HydrophobicContact CE2-CE2 3.98Å; F352-Y430 HydrophobicContact CZ-CE2 4.42Å; L404-Y430 WeakPolarHBondContact O-CE1 3.46Å; L404-Y430 VanDerWaalsContact O-CZ 3.29Å; L404-Y430 PolarHBondContact O-OH 2.82Å; I417-Y430 HydrophobicContact CB-CE2 4.46Å; I417-Y430 HydrophobicContact CD1-CE2 4.11Å; I417-Y430 HydrophobicContact CG1-CE2 3.94Å; I417-Y430 HydrophobicContact CG2-CD2 4.27Å; I417-Y430 HydrophobicContact CG2-CE2 3.81Å; I422-Y430 HydrophobicContact CD1-CE1 3.7Å; I422-Y430 HydrophobicContact CG1-CD1 4.49Å; I422-Y430 HydrophobicContact CG1-CE1 4Å; L425-Y430 HydrophobicContact CD1-CD2 4.2Å; L425-Y430 HydrophobicContact CD1-CG 4.42Å; D426-Y430 VanDerWaalsContact O-CB 3.29Å; D426-Y430 WeakPolarHBondContact O-CB 3.3Å; D426-Y430 PolarHBondContact O-N 2.94Å; L427-Y430 HydrophobicContact CD1-CD1 4.32Å; K428-Y430 VanDerWaalsContact C-N 3.33Å; K428-Y430 PolarHBondContact O-N 3.25Å; Y430-N432 PolarHBondContact O-N 2.8Å; Y430-Q433 WeakPolarHBondContact O-CB 3.42Å; Y430-Q433 PolarHBondContact O-N 3.32Å; Y430-I434 HydrophobicContact CD1-CD1 3.98Å; Y430-I434 HydrophobicContact CD2-CD1 4.41Å; Y430-I434 HydrophobicContact CE1-CD1 3.43Å; Y430-I434 VanDerWaalsContact CE1-CD1 3.43Å; Y430-I434 HydrophobicContact CE2-CD1 3.91Å; Y430-I434 HydrophobicContact CE2-CG1 4.38Å; Y430-I434 HydrophobicContact CG-CD1 4.44Å |
| 431 | R | 91.9 | Very high | 90 | Very high | 8 Ų | 8 | 37.8 Ų | 37.8 | 3% | 0.03 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.2 | -24.8 | 179.2 | -75.7 | 177.2 | 179.4 | 154.3 | 3.7 | 113.9 | Q405 R406 L427 K428 Q433 I434 T880 T883 | Q405-R431 PolarHBondContact O-NE 2.97Å; Q405-R431 VanDerWaalsContact O-NE 3.15Å; Q405-R431 PolarHBondContact O-NH2 2.81Å; Q405-R431 VanDerWaalsContact O-NH2 3.1Å; R406-R431 PolarHBondContact O-NH2 2.89Å; L427-R431 HydrophobicContact CD1-CG 4.27Å; L427-R431 WeakPolarHBondContact O-CB 3.45Å; L427-R431 VanDerWaalsContact O-CG 3.28Å; L427-R431 WeakPolarHBondContact O-CG 3.32Å; L427-R431 PolarHBondContact O-N 3.4Å; K428-R431 PolarHBondContact O-N 3.28Å; R431-Q433 PolarHBondContact O-N 2.93Å; R431-I434 PolarHBondContact O-N 2.98Å; R431-T880 WeakPolarHBondContact CD-O 3.44Å; R431-T883 HydrophobicContact CB-CG2 3.79Å |
| 432 | N | 88.9 | Confident | 89.7 | Confident | 72 Ų | 72 | 38.1 Ų | 38.1 | 39% | 0.385 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -68.4 | -21.2 | 172.9 | -71.9 | -13.5 | 0 | 0 | 0 | 112.7 | K428 A429 Y430 I434 R511 T883 | K428-N432 PolarHBondContact O-N 2.79Å; K428-N432 PolarHBondContact O-ND2 2.87Å; K428-N432 PolarHBondContact O-OD1 3.1Å; A429-N432 PolarHBondContact O-N 2.86Å; Y430-N432 PolarHBondContact O-N 2.8Å; N432-I434 VanDerWaalsContact C-N 3.34Å; N432-R511 PolarHBondContact OD1-NH1 2.76Å; N432-T883 PolarHBondContact OD1-OG1 3.27Å |
| 433 | Q | 89.9 | Confident | 89.6 | Confident | 72 Ų | 72 | 38.1 Ų | 38.1 | 34% | 0.336 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -6.6 | 175.2 | -57.5 | -59.5 | -29.6 | 0 | 0 | 113.7 | F352 Y430 R431 K514 L515 | F352-Q433 HydrophobicContact CB-CG 4.23Å; F352-Q433 HydrophobicContact CD1-CB 4Å; F352-Q433 HydrophobicContact CD1-CG 4.42Å; F352-Q433 HydrophobicContact CD2-CB 4.43Å; F352-Q433 HydrophobicContact CD2-CG 4.47Å; F352-Q433 HydrophobicContact CE1-CB 4.15Å; F352-Q433 HydrophobicContact CG-CB 4.14Å; F352-Q433 HydrophobicContact CG-CG 4.14Å; F352-Q433 HydrophobicContact CZ-CB 4.41Å; Y430-Q433 WeakPolarHBondContact O-CB 3.42Å; Y430-Q433 PolarHBondContact O-N 3.32Å; R431-Q433 PolarHBondContact O-N 2.93Å; Q433-K514 PolarHBondContact O-N 3.48Å; Q433-K514 VanDerWaalsContact O-N 3.08Å; Q433-L515 PolarHBondContact O-N 3Å |
| 434 | I | 92 | Very high | 89.6 | Confident | 5 Ų | 5 | 35.2 Ų | 35.2 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 133.1 | -174.8 | -53.2 | 171.2 | 0 | 0 | 0 | 110.2 | Y430 R431 N432 L515 L517 | Y430-I434 HydrophobicContact CD1-CD1 3.98Å; Y430-I434 HydrophobicContact CD2-CD1 4.41Å; Y430-I434 HydrophobicContact CE1-CD1 3.43Å; Y430-I434 VanDerWaalsContact CE1-CD1 3.43Å; Y430-I434 HydrophobicContact CE2-CD1 3.91Å; Y430-I434 HydrophobicContact CE2-CG1 4.38Å; Y430-I434 HydrophobicContact CG-CD1 4.44Å; R431-I434 PolarHBondContact O-N 2.98Å; N432-I434 VanDerWaalsContact C-N 3.34Å; I434-L515 WeakPolarHBondContact CA-O 3.43Å; I434-L515 HydrophobicContact CG1-CD2 4.37Å; I434-L517 HydrophobicContact CG2-CD1 3.59Å; I434-L517 HydrophobicContact CG2-CG 3.8Å |
| 435 | G | 92.2 | Very high | 89.3 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 133.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | L515 L516 L517 | G435-L515 PolarHBondContact N-O 3Å; G435-L516 CarbonylContact O-C 3.52Å; G435-L516 WeakPolarHBondContact O-CA 3.31Å; G435-L517 PolarHBondContact O-N 2.91Å |
| 436 | C | 92.7 | Very high | 89.2 | Confident | 6 Ų | 6 | 33 Ų | 33 | 4% | 0.041 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 129.7 | 179.4 | -179.6 | 0 | 0 | 0 | 0 | 109.5 | L517 T881 | C436-L517 CarbonylContact C-O 3.21Å; C436-L517 WeakPolarHBondContact CA-O 3.33Å; C436-L517 HydrophobicContact CB-CB 4.33Å; C436-T881 HydrophobicContact CB-CG2 3.55Å |
| 437 | V | 92.5 | Very high | 89.2 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 112.5 | 176.1 | -175.1 | 0 | 0 | 0 | 0 | 107.3 | Q501 I505 A508 L517 L518 D519 A521 | V437-Q501 VanDerWaalsContact CG1-NE2 3.3Å; V437-I505 HydrophobicContact CG1-CG1 4.04Å; V437-I505 HydrophobicContact CG2-CG1 4.09Å; V437-A508 HydrophobicContact CG2-CB 4.08Å; V437-L517 PolarHBondContact N-O 3.4Å; V437-L518 HydrophobicContact CB-CD2 3.77Å; V437-L518 HydrophobicContact CG2-CD2 3.75Å; V437-D519 PolarHBondContact O-N 2.93Å; V437-A521 HydrophobicContact CB-CB 4.44Å; V437-A521 HydrophobicContact CG1-CB 3.84Å |
| 438 | Q | 88.6 | Confident | 89.3 | Confident | 38 Ų | 38 | 32.3 Ų | 32.3 | 18% | 0.178 | 17% | 0.165 | C | C | . | . | trans | -84.4 | 160.9 | -175.5 | -65.7 | 175.9 | -25.2 | 0 | 0 | 111.2 | E440 Q501 D519 T878 | Q438-E440 PolarHBondContact O-N 3.4Å; Q438-Q501 PolarHBondContact O-NE2 2.94Å; Q438-D519 CarbonylContact C-O 3.59Å; Q438-T878 PolarHBondContact OE1-OG1 3.45Å | ||
| 439 | Q | 86.4 | Confident | 89.6 | Confident | 80 Ų | 80 | 28.8 Ų | 28.8 | 37% | 0.374 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -57.4 | -46.5 | 176.3 | -177.8 | 176.5 | 13.9 | 0 | 0 | 112.2 | D519 E520 S523 | Q439-D519 VanDerWaalsContact CA-O 3.3Å; Q439-D519 WeakPolarHBondContact CA-O 3.37Å; Q439-D519 PolarHBondContact N-O 2.89Å; Q439-E520 HydrophobicContact CB-CB 4.23Å; Q439-E520 HydrophobicContact CG-CB 4.1Å; Q439-E520 PolarHBondContact NE2-OE2 3.48Å; Q439-E520 VanDerWaalsContact NE2-OE2 3.16Å; Q439-S523 WeakPolarHBondContact CG-OG 3.32Å; Q439-S523 PolarHBondContact NE2-OG 2.89Å |
| 440 | E | 82.8 | Confident | 89.7 | Confident | 144 Ų | 144 | 30 Ų | 30 | 67% | 0.673 | 15% | 0.152 | S | C | * | . | S | Bend | trans | -106.1 | 113.5 | 173.7 | -70.3 | -169.8 | 170.2 | 0 | 0 | 110.4 | Q438 I442 | Q438-E440 PolarHBondContact O-N 3.4Å; E440-I442 PolarHBondContact O-N 2.74Å |
| 441 | P | 85.4 | Confident | 89.8 | Confident | 25 Ų | 25 | 29.6 Ų | 29.6 | 16% | 0.162 | 15% | 0.151 | C | C | . | . | trans | -74.5 | 115.3 | 179.8 | 27.7 | -31.4 | 0 | 0 | 0 | 110.8 | K500 Q501 A504 | P441-K500 HydrophobicContact CB-CB 3.96Å; P441-K500 HydrophobicContact CG-CB 3.48Å; P441-K500 VanDerWaalsContact CG-CB 3.48Å; P441-Q501 HydrophobicContact CG-CB 4.33Å; P441-A504 HydrophobicContact CB-CB 3.85Å | ||
| 442 | I | 86.2 | Confident | 89.9 | Confident | 37 Ų | 37 | 29.2 Ų | 29.2 | 19% | 0.19 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -89.2 | 121.2 | 173.2 | -56.8 | -173.5 | 0 | 0 | 0 | 109.7 | E440 R507 S875 | E440-I442 PolarHBondContact O-N 2.74Å; I442-R507 VanDerWaalsContact O-CZ 3.29Å; I442-R507 PolarHBondContact O-NH1 3.42Å; I442-R507 PolarHBondContact O-NH2 3.3Å; I442-S875 VanDerWaalsContact CG2-OG 3.25Å; I442-S875 WeakPolarHBondContact CG2-OG 3.35Å |
| 443 | L | 89.5 | Confident | 90.2 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | P | Polyproline II helix | trans | -102 | 138.7 | 165.8 | -58.6 | -176.2 | 0 | 0 | 0 | 110 | N451 V488 R491 M495 K500 I503 | L443-N451 WeakPolarHBondContact CA-OD1 3.32Å; L443-V488 HydrophobicContact CB-CG1 4.04Å; L443-V488 HydrophobicContact CD1-CG1 3.88Å; L443-R491 WeakPolarHBondContact O-CA 3.38Å; L443-R491 PolarHBondContact O-N 2.91Å; L443-M495 HydrophobicContact CD1-SD 4.08Å; L443-K500 HydrophobicContact CD1-CB 4.32Å; L443-K500 HydrophobicContact CD1-CG 4.04Å; L443-I503 HydrophobicContact CD1-CD1 4.05Å; L443-I503 HydrophobicContact CD1-CG2 4.46Å; L443-I503 HydrophobicContact CD2-CB 4.07Å; L443-I503 HydrophobicContact CD2-CG2 3.57Å |
| 444 | F | 89.2 | Confident | 90.3 | Very high | 6 Ų | 6 | 26.3 Ų | 26.3 | 3% | 0.026 | 13% | 0.13 | C | C | . | . | P | Polyproline II helix | trans | -86.6 | 157 | 176.4 | -64.5 | -75.9 | 0 | 0 | 0 | 109.7 | G446 N451 L454 E871 T878 V879 L884 F888 | F444-G446 PolarHBondContact O-N 2.8Å; F444-N451 PolarHBondContact N-OD1 3.36Å; F444-N451 PolarHBondContact O-ND2 3.01Å; F444-N451 PolarHBondContact O-OD1 3Å; F444-L454 HydrophobicContact CB-CD1 3.82Å; F444-L454 HydrophobicContact CD2-CD1 3.24Å; F444-L454 HydrophobicContact CE2-CD1 3.97Å; F444-L454 HydrophobicContact CG-CD1 3.73Å; F444-E871 VanDerWaalsContact CA-OE1 3.27Å; F444-E871 WeakPolarHBondContact CA-OE1 3.45Å; F444-E871 WeakPolarHBondContact CB-OE1 3.38Å; F444-E871 HydrophobicContact CD1-CG 3.71Å; F444-E871 WeakPolarHBondContact CD1-OE1 3.48Å; F444-E871 HydrophobicContact CE1-CG 4.34Å; F444-T878 HydrophobicContact CE2-CG2 3.93Å; F444-T878 HydrophobicContact CZ-CG2 3.94Å; F444-V879 HydrophobicContact CE1-CG2 4.04Å; F444-V879 HydrophobicContact CZ-CG2 3.96Å; F444-L884 HydrophobicContact CE2-CD1 4.05Å; F444-L884 HydrophobicContact CZ-CD1 4.26Å; F444-F888 HydrophobicContact CD1-CE1 4.45Å; F444-F888 HydrophobicContact CD1-CE2 4.37Å; F444-F888 AromaticContact CD1-CZ 3.57Å; F444-F888 HydrophobicContact CD1-CZ 3.57Å; F444-F888 AromaticContact CE1-CE2 3.98Å; F444-F888 HydrophobicContact CE1-CE2 3.98Å; F444-F888 AromaticContact CE1-CZ 3.58Å; F444-F888 HydrophobicContact CE1-CZ 3.58Å; F444-F888 HydrophobicContact CG-CZ 4.28Å; F444-F888 HydrophobicContact CZ-CE2 4.32Å; F444-F888 HydrophobicContact CZ-CZ 4.3Å |
| 445 | E | 86.6 | Confident | 90.3 | Very high | 27 Ų | 27 | 26.1 Ų | 26.1 | 13% | 0.126 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -71 | 123.2 | 176.8 | -177.3 | -177.9 | 172.7 | 0 | 0 | 111 | F487 V488 R867 E871 | E445-F487 HydrophobicContact CG-CE1 3.98Å; E445-F487 HydrophobicContact CG-CE2 4.39Å; E445-F487 HydrophobicContact CG-CZ 3.49Å; E445-F487 VanDerWaalsContact CG-CZ 3.49Å; E445-V488 WeakPolarHBondContact CA-O 3.39Å; E445-R867 IonicContact OE1-CZ 3.22Å; E445-R867 IonicContact OE1-NE 3.82Å; E445-R867 IonicContact OE1-NH1 3.86Å; E445-R867 PolarHBondContact OE1-NH1 3.31Å; E445-R867 VanDerWaalsContact OE1-NH1 3.13Å; E445-R867 IonicContact OE1-NH2 2.56Å; E445-R867 PolarHBondContact OE1-NH2 2.81Å; E445-R867 IonicContact OE2-CZ 2.99Å; E445-R867 IonicContact OE2-NE 2.73Å; E445-R867 PolarHBondContact OE2-NE 2.65Å; E445-R867 IonicContact OE2-NH1 2.94Å; E445-R867 IonicContact OE2-NH2 3.17Å; E445-R867 PolarHBondContact OE2-NH2 2.96Å; E445-E871 PolarHBondContact N-OE1 3.49Å |
| 446 | G | 87.2 | Confident | 90.2 | Very high | 9 Ų | 9 | 28.7 Ų | 28.7 | 9% | 0.093 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.8 | -166.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | F444 V488 | F444-G446 PolarHBondContact O-N 2.8Å; G446-V488 PolarHBondContact N-O 3.37Å; G446-V488 PolarHBondContact O-N 2.96Å |
| 447 | T | 92.1 | Very high | 90.1 | Very high | 24 Ų | 24 | 33 Ų | 33 | 15% | 0.147 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 167.9 | 176.4 | 63.5 | 0 | 0 | 0 | 0 | 111.8 | S449 D450 N451 D485 T486 | T447-S449 VanDerWaalsContact C-N 3.27Å; T447-S449 PolarHBondContact OG1-OG 3.12Å; T447-D450 PolarHBondContact N-OD2 3.35Å; T447-D450 PolarHBondContact O-N 3.15Å; T447-D450 WeakPolarHBondContact OG1-CB 3.46Å; T447-D450 PolarHBondContact OG1-N 3.25Å; T447-D450 PolarHBondContact OG1-OD2 2.9Å; T447-N451 PolarHBondContact O-N 3.48Å; T447-N451 PolarHBondContact O-ND2 3.38Å; T447-D485 WeakPolarHBondContact CG2-O 3.37Å; T447-T486 WeakPolarHBondContact CA-O 3.5Å |
| 448 | I | 92.4 | Very high | 90 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.2 | -39.8 | 170.6 | -64.5 | 176.9 | 0 | 0 | 0 | 110 | D450 N451 I452 I477 L480 F484 T486 V488 M495 I503 | I448-D450 PolarHBondContact O-N 3.19Å; I448-N451 PolarHBondContact O-N 3.38Å; I448-I452 HydrophobicContact CG2-CD1 4.01Å; I448-I452 WeakPolarHBondContact O-CG1 3.43Å; I448-I452 PolarHBondContact O-N 3.45Å; I448-I477 HydrophobicContact CD1-CG1 4.27Å; I448-I477 HydrophobicContact CD1-CG2 4.37Å; I448-I477 HydrophobicContact CG2-CD1 3.81Å; I448-I477 HydrophobicContact CG2-CG1 4.26Å; I448-L480 HydrophobicContact CD1-CD1 3.38Å; I448-F484 HydrophobicContact CG2-CD1 4.38Å; I448-F484 PolarHBondContact N-O 2.81Å; I448-T486 PolarHBondContact N-O 3.49Å; I448-T486 VanDerWaalsContact N-O 3.15Å; I448-V488 HydrophobicContact CD1-CG2 4.47Å; I448-V488 HydrophobicContact CG1-CG2 3.63Å; I448-M495 HydrophobicContact CD1-CE 4.25Å; I448-I503 HydrophobicContact CD1-CD1 4.43Å; I448-I503 HydrophobicContact CG1-CD1 4.41Å; I448-I503 HydrophobicContact CG2-CD1 4.22Å; I448-I503 HydrophobicContact CG2-CG1 4.46Å |
| 449 | S | 94 | Very high | 90.2 | Very high | 5 Ų | 5 | 37.4 Ų | 37.4 | 4% | 0.035 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.5 | -44.1 | 175.7 | 73 | 0 | 0 | 0 | 0 | 111.8 | T447 N451 I452 R453 F484 | T447-S449 VanDerWaalsContact C-N 3.27Å; T447-S449 PolarHBondContact OG1-OG 3.12Å; S449-N451 VanDerWaalsContact C-N 3.35Å; S449-N451 PolarHBondContact O-N 3.22Å; S449-I452 PolarHBondContact O-N 3.03Å; S449-R453 VanDerWaalsContact O-CB 3.26Å; S449-R453 WeakPolarHBondContact O-CB 3.39Å; S449-R453 PolarHBondContact O-N 2.97Å; S449-F484 PolarHBondContact N-O 3.25Å |
| 450 | D | 92 | Very high | 90.6 | Very high | 58 Ų | 58 | 37.1 Ų | 37.1 | 31% | 0.31 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.3 | -43.3 | 175.9 | -66.7 | -39.6 | 0 | 0 | 0 | 111.5 | T447 I448 I452 R453 L454 | T447-D450 PolarHBondContact N-OD2 3.35Å; T447-D450 PolarHBondContact O-N 3.15Å; T447-D450 WeakPolarHBondContact OG1-CB 3.46Å; T447-D450 PolarHBondContact OG1-N 3.25Å; T447-D450 PolarHBondContact OG1-OD2 2.9Å; I448-D450 PolarHBondContact O-N 3.19Å; D450-I452 PolarHBondContact O-N 3.4Å; D450-R453 PolarHBondContact O-N 3.09Å; D450-R453 IonicContact OD1-NH1 2.65Å; D450-R453 PolarHBondContact OD1-NH1 3.2Å; D450-L454 WeakPolarHBondContact O-CG 3.44Å; D450-L454 PolarHBondContact O-N 2.95Å |
| 451 | N | 92.9 | Very high | 91 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.8 | -41.3 | 179 | -91.6 | -84.6 | 0 | 0 | 0 | 112.8 | L443 F444 T447 I448 S449 I503 R507 | L443-N451 WeakPolarHBondContact CA-OD1 3.32Å; F444-N451 PolarHBondContact N-OD1 3.36Å; F444-N451 PolarHBondContact O-ND2 3.01Å; F444-N451 PolarHBondContact O-OD1 3Å; T447-N451 PolarHBondContact O-N 3.48Å; T447-N451 PolarHBondContact O-ND2 3.38Å; I448-N451 PolarHBondContact O-N 3.38Å; S449-N451 VanDerWaalsContact C-N 3.35Å; S449-N451 PolarHBondContact O-N 3.22Å; N451-I503 HydrophobicContact CB-CG2 4.3Å; N451-R507 WeakPolarHBondContact O-CD 3.19Å |
| 452 | I | 94.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70 | -41.8 | 176.3 | -64.6 | 171 | 0 | 0 | 0 | 110 | I448 S449 D450 L454 G455 I464 A468 F484 I503 A506 I510 | I448-I452 HydrophobicContact CG2-CD1 4.01Å; I448-I452 WeakPolarHBondContact O-CG1 3.43Å; I448-I452 PolarHBondContact O-N 3.45Å; S449-I452 PolarHBondContact O-N 3.03Å; D450-I452 PolarHBondContact O-N 3.4Å; I452-L454 PolarHBondContact O-N 3.18Å; I452-G455 PolarHBondContact O-N 3.06Å; I452-I464 HydrophobicContact CB-CG2 4.02Å; I452-I464 HydrophobicContact CD1-CG2 3.98Å; I452-I464 HydrophobicContact CG2-CB 4.27Å; I452-I464 HydrophobicContact CG2-CG1 4.18Å; I452-I464 HydrophobicContact CG2-CG2 3.85Å; I452-A468 HydrophobicContact CD1-CB 4.31Å; I452-F484 HydrophobicContact CD1-CE1 4.26Å; I452-I503 HydrophobicContact CG1-CG2 4.13Å; I452-A506 HydrophobicContact CD1-CB 4.11Å; I452-A506 HydrophobicContact CG1-CB 4.1Å; I452-A506 HydrophobicContact CG2-CB 4.37Å; I452-I510 HydrophobicContact CG2-CD1 3.9Å |
| 453 | R | 94.7 | Very high | 91.8 | Very high | 74 Ų | 74 | 38.8 Ų | 38.8 | 28% | 0.279 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.1 | -25.1 | 177 | -168.1 | -178.7 | -66.5 | 133.1 | 1.2 | 113.5 | S449 D450 G455 K456 L457 I464 | S449-R453 VanDerWaalsContact O-CB 3.26Å; S449-R453 WeakPolarHBondContact O-CB 3.39Å; S449-R453 PolarHBondContact O-N 2.97Å; D450-R453 PolarHBondContact O-N 3.09Å; D450-R453 IonicContact OD1-NH1 2.65Å; D450-R453 PolarHBondContact OD1-NH1 3.2Å; R453-G455 PolarHBondContact O-N 3.17Å; R453-G455 VanDerWaalsContact O-N 3.1Å; R453-K456 CarbonylContact O-C 3.57Å; R453-K456 PolarHBondContact O-N 3.35Å; R453-L457 PolarHBondContact O-N 3.49Å; R453-I464 HydrophobicContact CB-CD1 4.12Å |
| 454 | L | 92.5 | Very high | 92.1 | Very high | 8 Ų | 8 | 38.6 Ų | 38.6 | 4% | 0.042 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -17.7 | 172.1 | -70.3 | 173.1 | 0 | 0 | 0 | 113.3 | F444 D450 I452 L457 L884 Y887 | F444-L454 HydrophobicContact CB-CD1 3.82Å; F444-L454 HydrophobicContact CD2-CD1 3.24Å; F444-L454 HydrophobicContact CE2-CD1 3.97Å; F444-L454 HydrophobicContact CG-CD1 3.73Å; D450-L454 WeakPolarHBondContact O-CG 3.44Å; D450-L454 PolarHBondContact O-N 2.95Å; I452-L454 PolarHBondContact O-N 3.18Å; L454-L457 HydrophobicContact CD2-CD2 4.21Å; L454-L884 HydrophobicContact CB-CD1 4.01Å; L454-L884 HydrophobicContact CB-CD2 4.18Å; L454-L884 HydrophobicContact CD1-CD1 4.43Å; L454-L884 HydrophobicContact CD2-CD1 4.19Å; L454-L884 HydrophobicContact CD2-CD2 3.81Å; L454-L884 HydrophobicContact CG-CD1 4.44Å; L454-L884 WeakPolarHBondContact O-CD2 3.26Å; L454-Y887 HydrophobicContact CD2-CD1 3.83Å; L454-Y887 HydrophobicContact CD2-CE1 3.63Å; L454-Y887 HydrophobicContact CD2-CE2 4.4Å; L454-Y887 HydrophobicContact CD2-CG 4.3Å |
| 455 | G | 90.7 | Very high | 92.3 | Very high | 2 Ų | 2 | 41 Ų | 41 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -46.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I452 R453 R507 R511 | I452-G455 PolarHBondContact O-N 3.06Å; R453-G455 PolarHBondContact O-N 3.17Å; R453-G455 VanDerWaalsContact O-N 3.1Å; G455-R507 WeakPolarHBondContact CA-O 3.42Å; G455-R511 VanDerWaalsContact O-CG 3.22Å; G455-R511 WeakPolarHBondContact O-CG 3.38Å; G455-R511 PolarHBondContact O-NE 3.16Å; G455-R511 PolarHBondContact O-NH2 3.2Å |
| 456 | K | 91.7 | Very high | 92.7 | Very high | 55 Ų | 55 | 44.2 Ų | 44.2 | 24% | 0.239 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -138.9 | 104.1 | 179.3 | 176.8 | -176.3 | 174.5 | -157.6 | 0 | 108.6 | R453 D458 A459 E463 I510 | R453-K456 CarbonylContact O-C 3.57Å; R453-K456 PolarHBondContact O-N 3.35Å; K456-D458 WeakPolarHBondContact CE-OD1 3.1Å; K456-D458 WeakPolarHBondContact CG-OD1 3.38Å; K456-D458 PolarHBondContact O-N 3.48Å; K456-D458 VanDerWaalsContact O-N 3.16Å; K456-A459 HydrophobicContact CB-CB 4.12Å; K456-A459 HydrophobicContact CD-CB 4.24Å; K456-A459 HydrophobicContact CG-CB 4.16Å; K456-A459 WeakPolarHBondContact O-CB 3.44Å; K456-A459 PolarHBondContact O-N 2.99Å; K456-E463 IonicContact NZ-OE1 2.75Å; K456-E463 PolarHBondContact NZ-OE1 2.93Å; K456-E463 IonicContact NZ-OE2 2.72Å; K456-E463 PolarHBondContact NZ-OE2 3.27Å; K456-I510 HydrophobicContact CB-CD1 4.37Å; K456-I510 HydrophobicContact CB-CG1 4.2Å; K456-I510 HydrophobicContact CB-CG2 3.96Å |
| 457 | L | 89.2 | Confident | 93 | Very high | 96 Ų | 96 | 44 Ų | 44 | 50% | 0.503 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -25.8 | -167.8 | -66.8 | 176.6 | 0 | 0 | 0 | 113.8 | R453 L454 L884 Y887 | R453-L457 PolarHBondContact O-N 3.49Å; L454-L457 HydrophobicContact CD2-CD2 4.21Å; L457-L884 HydrophobicContact CD2-CD2 4.17Å; L457-Y887 HydrophobicContact CD2-CD2 4.08Å; L457-Y887 HydrophobicContact CD2-CG 4.42Å |
| 458 | D | 91.2 | Very high | 93.1 | Very high | 124 Ų | 124 | 42.8 Ų | 42.8 | 66% | 0.663 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 10.8 | 177.9 | 61.5 | -41.4 | 0 | 0 | 0 | 113.3 | K456 | K456-D458 WeakPolarHBondContact CE-OD1 3.1Å; K456-D458 WeakPolarHBondContact CG-OD1 3.38Å; K456-D458 PolarHBondContact O-N 3.48Å; K456-D458 VanDerWaalsContact O-N 3.16Å |
| 459 | A | 91.9 | Very high | 93.2 | Very high | 8 Ų | 8 | 48.1 Ų | 48.1 | 7% | 0.066 | 24% | 0.24 | C | C | . | . | trans | -67.8 | 135.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | K456 E463 I464 I510 | K456-A459 HydrophobicContact CB-CB 4.12Å; K456-A459 HydrophobicContact CD-CB 4.24Å; K456-A459 HydrophobicContact CG-CB 4.16Å; K456-A459 WeakPolarHBondContact O-CB 3.44Å; K456-A459 PolarHBondContact O-N 2.99Å; A459-E463 VanDerWaalsContact CA-OE2 3.25Å; A459-E463 WeakPolarHBondContact CA-OE2 3.5Å; A459-E463 HydrophobicContact CB-CB 4.3Å; A459-E463 WeakPolarHBondContact CB-OE2 3.19Å; A459-I464 HydrophobicContact CB-CG1 4.43Å; A459-I510 HydrophobicContact CB-CD1 3.37Å; A459-I510 HydrophobicContact CB-CG1 4.11Å | ||
| 460 | T | 94.6 | Very high | 93.1 | Very high | 73 Ų | 73 | 51.3 Ų | 51.3 | 45% | 0.448 | 26% | 0.256 | S | S | . | . | trans | -74.8 | 163.5 | 172.4 | 64.9 | 0 | 0 | 0 | 0 | 110.7 | D462 E463 I464 | T460-D462 PolarHBondContact O-N 3.27Å; T460-E463 PolarHBondContact O-N 3.45Å; T460-E463 WeakPolarHBondContact OG1-CG 3.49Å; T460-E463 PolarHBondContact OG1-N 2.82Å; T460-I464 WeakPolarHBondContact O-CG1 3.21Å; T460-I464 PolarHBondContact O-N 3.44Å; T460-I464 VanDerWaalsContact O-N 3.16Å | ||
| 461 | Q | 92.2 | Very high | 93.1 | Very high | 71 Ų | 71 | 48.5 Ų | 48.5 | 33% | 0.332 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.5 | -35.9 | 176.1 | -172.7 | 62.1 | 19 | 0 | 0 | 111.9 | E463 I464 E465 | Q461-E463 PolarHBondContact O-N 3.43Å; Q461-I464 WeakPolarHBondContact O-CB 3.45Å; Q461-I464 PolarHBondContact O-N 3.1Å; Q461-E465 PolarHBondContact O-N 2.96Å |
| 462 | D | 94.4 | Very high | 93.1 | Very high | 122 Ų | 122 | 49.8 Ų | 49.8 | 65% | 0.652 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -63.1 | -41.9 | 176.9 | -59.1 | -31.3 | 0 | 0 | 0 | 112 | T460 I464 E465 E466 | T460-D462 PolarHBondContact O-N 3.27Å; D462-I464 VanDerWaalsContact C-N 3.31Å; D462-I464 PolarHBondContact O-N 3.03Å; D462-E465 PolarHBondContact O-N 3.09Å; D462-E466 WeakPolarHBondContact O-CB 3.38Å; D462-E466 PolarHBondContact O-N 3.36Å |
| 463 | E | 94.5 | Very high | 93 | Very high | 48 Ų | 48 | 49.8 Ų | 49.8 | 22% | 0.224 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.3 | -36.1 | 175.5 | -72.2 | -176.8 | 162.8 | 0 | 0 | 111.8 | K456 A459 T460 Q461 A467 | K456-E463 IonicContact NZ-OE1 2.75Å; K456-E463 PolarHBondContact NZ-OE1 2.93Å; K456-E463 IonicContact NZ-OE2 2.72Å; K456-E463 PolarHBondContact NZ-OE2 3.27Å; A459-E463 VanDerWaalsContact CA-OE2 3.25Å; A459-E463 WeakPolarHBondContact CA-OE2 3.5Å; A459-E463 HydrophobicContact CB-CB 4.3Å; A459-E463 WeakPolarHBondContact CB-OE2 3.19Å; T460-E463 PolarHBondContact O-N 3.45Å; T460-E463 WeakPolarHBondContact OG1-CG 3.49Å; T460-E463 PolarHBondContact OG1-N 2.82Å; Q461-E463 PolarHBondContact O-N 3.43Å; E463-A467 WeakPolarHBondContact O-CB 3.3Å; E463-A467 PolarHBondContact O-N 2.95Å |
| 464 | I | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.9 | -45.1 | 176 | -68.2 | 169.2 | 0 | 0 | 0 | 110.4 | I452 R453 A459 T460 Q461 D462 A467 A468 F484 I510 | I452-I464 HydrophobicContact CB-CG2 4.02Å; I452-I464 HydrophobicContact CD1-CG2 3.98Å; I452-I464 HydrophobicContact CG2-CB 4.27Å; I452-I464 HydrophobicContact CG2-CG1 4.18Å; I452-I464 HydrophobicContact CG2-CG2 3.85Å; R453-I464 HydrophobicContact CB-CD1 4.12Å; A459-I464 HydrophobicContact CB-CG1 4.43Å; T460-I464 WeakPolarHBondContact O-CG1 3.21Å; T460-I464 PolarHBondContact O-N 3.44Å; T460-I464 VanDerWaalsContact O-N 3.16Å; Q461-I464 WeakPolarHBondContact O-CB 3.45Å; Q461-I464 PolarHBondContact O-N 3.1Å; D462-I464 VanDerWaalsContact C-N 3.31Å; D462-I464 PolarHBondContact O-N 3.03Å; I464-A467 PolarHBondContact O-N 3.39Å; I464-A468 WeakPolarHBondContact O-CB 3.36Å; I464-A468 PolarHBondContact O-N 2.89Å; I464-F484 HydrophobicContact CG2-CD1 4.08Å; I464-F484 HydrophobicContact CG2-CE1 4Å; I464-I510 HydrophobicContact CG1-CD1 3.97Å |
| 465 | E | 94.5 | Very high | 92.7 | Very high | 55 Ų | 55 | 52.7 Ų | 52.7 | 26% | 0.257 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.9 | -40.4 | 177.5 | -72.1 | -167.5 | -166.3 | 0 | 0 | 112.7 | Q461 D462 A468 K469 H474 F484 | Q461-E465 PolarHBondContact O-N 2.96Å; D462-E465 PolarHBondContact O-N 3.09Å; E465-A468 PolarHBondContact O-N 3.21Å; E465-K469 WeakPolarHBondContact O-CG 3.37Å; E465-K469 PolarHBondContact O-N 3.44Å; E465-H474 IonicContact OE2-CE1 2.96Å; E465-F484 HydrophobicContact CG-CE2 3.88Å; E465-F484 HydrophobicContact CG-CZ 3.88Å |
| 466 | E | 94 | Very high | 92.7 | Very high | 95 Ų | 95 | 53.2 Ų | 53.2 | 44% | 0.444 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.7 | -48.8 | 174.9 | -169.7 | -167.7 | 161.5 | 0 | 0 | 110.6 | D462 A468 K469 L470 | D462-E466 WeakPolarHBondContact O-CB 3.38Å; D462-E466 PolarHBondContact O-N 3.36Å; E466-A468 VanDerWaalsContact C-N 3.32Å; E466-A468 PolarHBondContact O-N 3.47Å; E466-K469 PolarHBondContact O-N 3.37Å; E466-L470 WeakPolarHBondContact O-CG 3.5Å; E466-L470 PolarHBondContact O-N 3.13Å |
| 467 | A | 94.1 | Very high | 92.7 | Very high | 4 Ų | 4 | 50.6 Ų | 50.6 | 3% | 0.033 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E463 I464 L470 A471 A506 I510 | E463-A467 WeakPolarHBondContact O-CB 3.3Å; E463-A467 PolarHBondContact O-N 2.95Å; I464-A467 PolarHBondContact O-N 3.39Å; A467-L470 PolarHBondContact O-N 3.15Å; A467-A471 WeakPolarHBondContact O-CB 3.45Å; A467-A471 PolarHBondContact O-N 3.34Å; A467-A506 HydrophobicContact CB-CB 4.45Å; A467-I510 HydrophobicContact CB-CB 4.06Å; A467-I510 HydrophobicContact CB-CG1 4.33Å |
| 468 | A | 94.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.6 | -35.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I452 I464 E465 E466 A471 N472 A473 H474 I477 F484 | I452-A468 HydrophobicContact CD1-CB 4.31Å; I464-A468 WeakPolarHBondContact O-CB 3.36Å; I464-A468 PolarHBondContact O-N 2.89Å; E465-A468 PolarHBondContact O-N 3.21Å; E466-A468 VanDerWaalsContact C-N 3.32Å; E466-A468 PolarHBondContact O-N 3.47Å; A468-A471 PolarHBondContact O-N 2.96Å; A468-N472 PolarHBondContact O-N 3.23Å; A468-A473 HydrophobicContact CB-CB 4.33Å; A468-A473 WeakPolarHBondContact O-CA 3.39Å; A468-A473 WeakPolarHBondContact O-CB 3.3Å; A468-A473 PolarHBondContact O-N 2.88Å; A468-H474 HydrophobicContact CB-CB 4.46Å; A468-H474 PolarHBondContact O-N 3.31Å; A468-I477 HydrophobicContact CB-CD1 4.41Å; A468-F484 HydrophobicContact CB-CE1 3.92Å; A468-F484 HydrophobicContact CB-CZ 3.94Å |
| 469 | K | 94 | Very high | 92.7 | Very high | 112 Ų | 112 | 52 Ų | 52 | 49% | 0.487 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.7 | -45.5 | 174.6 | -74.9 | 170.1 | -175.8 | 168 | 0 | 111.3 | E465 E466 A471 N472 H474 | E465-K469 WeakPolarHBondContact O-CG 3.37Å; E465-K469 PolarHBondContact O-N 3.44Å; E466-K469 PolarHBondContact O-N 3.37Å; K469-A471 VanDerWaalsContact C-N 3.26Å; K469-A471 PolarHBondContact O-N 3.17Å; K469-N472 PolarHBondContact O-N 3.47Å; K469-H474 HydrophobicContact CG-CB 3.76Å |
| 470 | L | 90.9 | Very high | 92.5 | Very high | 71 Ų | 71 | 53.3 Ų | 53.3 | 37% | 0.372 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.7 | -37 | 175.9 | -70.3 | 173.3 | 0 | 0 | 0 | 112.3 | E466 A467 N472 L509 | E466-L470 WeakPolarHBondContact O-CG 3.5Å; E466-L470 PolarHBondContact O-N 3.13Å; A467-L470 PolarHBondContact O-N 3.15Å; L470-N472 PolarHBondContact O-N 3.26Å; L470-L509 HydrophobicContact CB-CD1 3.84Å |
| 471 | A | 93.1 | Very high | 92 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 7.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A467 A468 K469 A473 R502 I505 A506 A536 | A467-A471 WeakPolarHBondContact O-CB 3.45Å; A467-A471 PolarHBondContact O-N 3.34Å; A468-A471 PolarHBondContact O-N 2.96Å; K469-A471 VanDerWaalsContact C-N 3.26Å; K469-A471 PolarHBondContact O-N 3.17Å; A471-A473 HydrophobicContact CB-CB 4.35Å; A471-A473 PolarHBondContact O-N 3.2Å; A471-A473 VanDerWaalsContact O-N 3.11Å; A471-R502 WeakPolarHBondContact CB-O 3.17Å; A471-R502 WeakPolarHBondContact O-CD 3.16Å; A471-R502 WeakPolarHBondContact O-CG 3.14Å; A471-I505 HydrophobicContact CB-CB 4.01Å; A471-I505 HydrophobicContact CB-CG2 3.73Å; A471-A506 HydrophobicContact CB-CB 3.82Å; A471-A536 WeakPolarHBondContact O-CB 3.26Å |
| 472 | N | 92 | Very high | 91.7 | Very high | 27 Ų | 27 | 54.6 Ų | 54.6 | 14% | 0.144 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 32.6 | -170.7 | -59.5 | -34.9 | 0 | 0 | 0 | 113 | A468 K469 L470 R502 A536 K539 | A468-N472 PolarHBondContact O-N 3.23Å; K469-N472 PolarHBondContact O-N 3.47Å; L470-N472 PolarHBondContact O-N 3.26Å; N472-R502 WeakPolarHBondContact O-CD 2.96Å; N472-R502 PolarHBondContact O-NH1 3Å; N472-A536 HydrophobicContact CB-CB 4.33Å; N472-A536 PolarHBondContact ND2-N 3.21Å; N472-K539 PolarHBondContact OD1-NZ 3.1Å |
| 473 | A | 92.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -95.6 | -26.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113 | A468 A471 D475 F476 I477 R502 | A468-A473 HydrophobicContact CB-CB 4.33Å; A468-A473 WeakPolarHBondContact O-CA 3.39Å; A468-A473 WeakPolarHBondContact O-CB 3.3Å; A468-A473 PolarHBondContact O-N 2.88Å; A471-A473 HydrophobicContact CB-CB 4.35Å; A471-A473 PolarHBondContact O-N 3.2Å; A471-A473 VanDerWaalsContact O-N 3.11Å; A473-D475 PolarHBondContact O-N 3.49Å; A473-F476 VanDerWaalsContact CA-CE1 3.45Å; A473-F476 HydrophobicContact CB-CD1 4.36Å; A473-F476 HydrophobicContact CB-CE1 3.65Å; A473-F476 HydrophobicContact CB-CZ 4.37Å; A473-F476 WeakPolarHBondContact O-CD1 3.44Å; A473-F476 WeakPolarHBondContact O-CE1 3.36Å; A473-F476 PolarHBondContact O-N 2.99Å; A473-I477 HydrophobicContact CB-CD1 3.82Å; A473-I477 WeakPolarHBondContact O-CD1 3.34Å; A473-I477 WeakPolarHBondContact O-CG1 3.42Å; A473-I477 PolarHBondContact O-N 3.21Å; A473-I477 VanDerWaalsContact O-N 3.11Å; A473-R502 HydrophobicContact CB-CB 4.05Å | ||
| 474 | H | 92.6 | Very high | 91.4 | Very high | 30 Ų | 30 | 49.1 Ų | 49.1 | 14% | 0.139 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -53.6 | -48.6 | -174.2 | -171.7 | 84.4 | 0 | 0 | 0 | 113.1 | E465 A468 K469 F476 I477 Q478 F484 | E465-H474 IonicContact OE2-CE1 2.96Å; A468-H474 HydrophobicContact CB-CB 4.46Å; A468-H474 PolarHBondContact O-N 3.31Å; K469-H474 HydrophobicContact CG-CB 3.76Å; H474-F476 PolarHBondContact O-N 2.94Å; H474-I477 PolarHBondContact O-N 3.41Å; H474-I477 VanDerWaalsContact O-N 3.17Å; H474-Q478 PolarHBondContact CE1-NE2 3.02Å; H474-Q478 PolarHBondContact NE2-NE2 2.82Å; H474-Q478 WeakPolarHBondContact O-CG 3.47Å; H474-Q478 PolarHBondContact O-N 2.78Å; H474-F484 AromaticContact ND1-CE2 3.83Å; H474-F484 AromaticContact ND1-CZ 3.74Å |
| 475 | D | 90 | Very high | 91.3 | Very high | 113 Ų | 113 | 54.2 Ų | 54.2 | 60% | 0.604 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -62.5 | -39.5 | -173.3 | -55.4 | -22.8 | 0 | 0 | 0 | 113.3 | A473 Q479 | A473-D475 PolarHBondContact O-N 3.49Å; D475-Q479 WeakPolarHBondContact O-CG 3.46Å |
| 476 | F | 90.1 | Very high | 91 | Very high | 13 Ų | 13 | 52.1 Ų | 52.1 | 6% | 0.057 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -80.6 | -30.1 | 178.5 | 87 | -99 | 0 | 0 | 0 | 111.6 | A473 H474 Q478 Q479 M495 Q499 R502 I503 | A473-F476 VanDerWaalsContact CA-CE1 3.45Å; A473-F476 HydrophobicContact CB-CD1 4.36Å; A473-F476 HydrophobicContact CB-CE1 3.65Å; A473-F476 HydrophobicContact CB-CZ 4.37Å; A473-F476 WeakPolarHBondContact O-CD1 3.44Å; A473-F476 WeakPolarHBondContact O-CE1 3.36Å; A473-F476 PolarHBondContact O-N 2.99Å; H474-F476 PolarHBondContact O-N 2.94Å; F476-Q478 VanDerWaalsContact C-N 3.31Å; F476-Q479 WeakPolarHBondContact O-CB 3.4Å; F476-Q479 PolarHBondContact O-N 3.27Å; F476-M495 HydrophobicContact CE2-CE 3.7Å; F476-M495 HydrophobicContact CZ-CE 4.35Å; F476-Q499 HydrophobicContact CD2-CB 4.45Å; F476-Q499 HydrophobicContact CD2-CG 3.85Å; F476-Q499 HydrophobicContact CE1-CB 4.46Å; F476-Q499 HydrophobicContact CE1-CG 4.38Å; F476-Q499 HydrophobicContact CE2-CB 3.84Å; F476-Q499 HydrophobicContact CE2-CG 3.75Å; F476-Q499 HydrophobicContact CG-CG 4.26Å; F476-Q499 HydrophobicContact CZ-CB 3.83Å; F476-Q499 HydrophobicContact CZ-CG 4.02Å; F476-R502 VanDerWaalsContact CD1-NH2 3.26Å; F476-R502 HydrophobicContact CE1-CB 4.17Å; F476-I503 HydrophobicContact CZ-CD1 4.09Å; F476-I503 HydrophobicContact CZ-CG1 4.01Å |
| 477 | I | 92.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 175 | -68.8 | 165.8 | 0 | 0 | 0 | 109.4 | I448 A468 A473 H474 Q479 L480 T483 F484 | I448-I477 HydrophobicContact CD1-CG1 4.27Å; I448-I477 HydrophobicContact CD1-CG2 4.37Å; I448-I477 HydrophobicContact CG2-CD1 3.81Å; I448-I477 HydrophobicContact CG2-CG1 4.26Å; A468-I477 HydrophobicContact CB-CD1 4.41Å; A473-I477 HydrophobicContact CB-CD1 3.82Å; A473-I477 WeakPolarHBondContact O-CD1 3.34Å; A473-I477 WeakPolarHBondContact O-CG1 3.42Å; A473-I477 PolarHBondContact O-N 3.21Å; A473-I477 VanDerWaalsContact O-N 3.11Å; H474-I477 PolarHBondContact O-N 3.41Å; H474-I477 VanDerWaalsContact O-N 3.17Å; I477-Q479 PolarHBondContact O-N 3.49Å; I477-L480 WeakPolarHBondContact O-CB 3.41Å; I477-L480 PolarHBondContact O-N 3.06Å; I477-T483 WeakPolarHBondContact O-CA 3.48Å; I477-F484 HydrophobicContact CD1-CE1 4.03Å; I477-F484 HydrophobicContact CD1-CZ 4.44Å; I477-F484 HydrophobicContact CG2-CD1 3.98Å; I477-F484 HydrophobicContact CG2-CD2 3.95Å; I477-F484 HydrophobicContact CG2-CE1 4.11Å; I477-F484 HydrophobicContact CG2-CE2 4.07Å; I477-F484 HydrophobicContact CG2-CG 3.9Å; I477-F484 HydrophobicContact CG2-CZ 4.14Å |
| 478 | Q | 91.1 | Very high | 90.2 | Very high | 92 Ų | 92 | 53 Ų | 53 | 43% | 0.43 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.6 | 174.9 | -70.1 | -67.8 | -9.1 | 0 | 0 | 113.9 | H474 F476 | H474-Q478 PolarHBondContact CE1-NE2 3.02Å; H474-Q478 PolarHBondContact NE2-NE2 2.82Å; H474-Q478 WeakPolarHBondContact O-CG 3.47Å; H474-Q478 PolarHBondContact O-N 2.78Å; F476-Q478 VanDerWaalsContact C-N 3.31Å |
| 479 | Q | 89.2 | Confident | 89.3 | Confident | 159 Ų | 159 | 54 Ų | 54 | 74% | 0.743 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -8.7 | 176.3 | -67.5 | 170.8 | 6.9 | 0 | 0 | 113.2 | D475 F476 I477 | D475-Q479 WeakPolarHBondContact O-CG 3.46Å; F476-Q479 WeakPolarHBondContact O-CB 3.4Å; F476-Q479 PolarHBondContact O-N 3.27Å; I477-Q479 PolarHBondContact O-N 3.49Å |
| 480 | L | 87.4 | Confident | 88.1 | Confident | 35 Ų | 35 | 53.4 Ų | 53.4 | 18% | 0.183 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -79.7 | 151 | 175.8 | -62 | 172.1 | 0 | 0 | 0 | 110.7 | I448 I477 D482 T483 T486 M495 | I448-L480 HydrophobicContact CD1-CD1 3.38Å; I477-L480 WeakPolarHBondContact O-CB 3.41Å; I477-L480 PolarHBondContact O-N 3.06Å; L480-D482 VanDerWaalsContact C-N 3.31Å; L480-D482 PolarHBondContact O-N 3.24Å; L480-T483 PolarHBondContact O-N 3.05Å; L480-T483 VanDerWaalsContact O-N 3.14Å; L480-T486 HydrophobicContact CB-CG2 4.4Å; L480-T486 WeakPolarHBondContact CB-OG1 3.37Å; L480-T486 HydrophobicContact CD1-CG2 4.22Å; L480-M495 HydrophobicContact CD1-CE 4.26Å |
| 481 | P | 82.8 | Confident | 86.9 | Confident | 86 Ų | 86 | 57.6 Ų | 57.6 | 56% | 0.558 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -41 | -173.9 | -28.4 | 36.2 | 0 | 0 | 0 | 114.9 | V628 | P481-V628 HydrophobicContact CG-CB 4.07Å; P481-V628 HydrophobicContact CG-CG1 4.42Å; P481-V628 HydrophobicContact CG-CG2 3.52Å |
| 482 | D | 86.7 | Confident | 85.5 | Confident | 85 Ų | 85 | 57.6 Ų | 57.6 | 46% | 0.455 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 16.4 | -177.2 | -55.3 | -48.3 | 0 | 0 | 0 | 111.9 | L480 F484 D485 T486 | L480-D482 VanDerWaalsContact C-N 3.31Å; L480-D482 PolarHBondContact O-N 3.24Å; D482-F484 PolarHBondContact O-N 3.39Å; D482-D485 HydrophobicContact CB-CB 4.47Å; D482-D485 PolarHBondContact O-N 3.28Å; D482-T486 PolarHBondContact O-N 3.25Å |
| 483 | T | 91.7 | Very high | 84.1 | Confident | 49 Ų | 49 | 59.3 Ų | 59.3 | 30% | 0.301 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | 50.6 | -122 | -179.7 | 69.4 | 0 | 0 | 0 | 0 | 112.9 | I477 L480 D485 T486 | I477-T483 WeakPolarHBondContact O-CA 3.48Å; L480-T483 PolarHBondContact O-N 3.05Å; L480-T483 VanDerWaalsContact O-N 3.14Å; T483-D485 VanDerWaalsContact C-N 3.3Å; T483-D485 PolarHBondContact O-N 2.79Å; T483-T486 PolarHBondContact N-OG1 3.4Å; T483-T486 WeakPolarHBondContact O-CB 3.45Å; T483-T486 PolarHBondContact O-N 2.92Å; T483-T486 PolarHBondContact O-OG1 2.89Å |
| 484 | F | 91.8 | Very high | 83 | Confident | 6 Ų | 6 | 63.1 Ų | 63.1 | 3% | 0.026 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -70.3 | -21.2 | 178.1 | -78.7 | -84.8 | 0 | 0 | 0 | 114.3 | I448 S449 I452 I464 E465 A468 H474 I477 D482 T486 | I448-F484 HydrophobicContact CG2-CD1 4.38Å; I448-F484 PolarHBondContact N-O 2.81Å; S449-F484 PolarHBondContact N-O 3.25Å; I452-F484 HydrophobicContact CD1-CE1 4.26Å; I464-F484 HydrophobicContact CG2-CD1 4.08Å; I464-F484 HydrophobicContact CG2-CE1 4Å; E465-F484 HydrophobicContact CG-CE2 3.88Å; E465-F484 HydrophobicContact CG-CZ 3.88Å; A468-F484 HydrophobicContact CB-CE1 3.92Å; A468-F484 HydrophobicContact CB-CZ 3.94Å; H474-F484 AromaticContact ND1-CE2 3.83Å; H474-F484 AromaticContact ND1-CZ 3.74Å; I477-F484 HydrophobicContact CD1-CE1 4.03Å; I477-F484 HydrophobicContact CD1-CZ 4.44Å; I477-F484 HydrophobicContact CG2-CD1 3.98Å; I477-F484 HydrophobicContact CG2-CD2 3.95Å; I477-F484 HydrophobicContact CG2-CE1 4.11Å; I477-F484 HydrophobicContact CG2-CE2 4.07Å; I477-F484 HydrophobicContact CG2-CG 3.9Å; I477-F484 HydrophobicContact CG2-CZ 4.14Å; D482-F484 PolarHBondContact O-N 3.39Å; F484-T486 VanDerWaalsContact C-N 3.26Å |
| 485 | D | 91.8 | Very high | 82.4 | Confident | 107 Ų | 107 | 63.1 Ų | 63.1 | 57% | 0.572 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -86.6 | 0.3 | 177.9 | -65.9 | -35.7 | 0 | 0 | 0 | 112.5 | T447 D482 T483 F487 | T447-D485 WeakPolarHBondContact CG2-O 3.37Å; D482-D485 HydrophobicContact CB-CB 4.47Å; D482-D485 PolarHBondContact O-N 3.28Å; T483-D485 VanDerWaalsContact C-N 3.3Å; T483-D485 PolarHBondContact O-N 2.79Å; D485-F487 PolarHBondContact O-N 3.08Å; D485-F487 VanDerWaalsContact O-N 3.13Å |
| 486 | T | 89 | Confident | 82.2 | Confident | 11 Ų | 11 | 60 Ų | 60 | 7% | 0.067 | 34% | 0.34 | C | S | . | . | trans | -54.3 | 121.4 | 174.5 | -56.6 | 0 | 0 | 0 | 0 | 110.2 | T447 I448 L480 D482 T483 F484 | T447-T486 WeakPolarHBondContact CA-O 3.5Å; I448-T486 PolarHBondContact N-O 3.49Å; I448-T486 VanDerWaalsContact N-O 3.15Å; L480-T486 HydrophobicContact CB-CG2 4.4Å; L480-T486 WeakPolarHBondContact CB-OG1 3.37Å; L480-T486 HydrophobicContact CD1-CG2 4.22Å; D482-T486 PolarHBondContact O-N 3.25Å; T483-T486 PolarHBondContact N-OG1 3.4Å; T483-T486 WeakPolarHBondContact O-CB 3.45Å; T483-T486 PolarHBondContact O-N 2.92Å; T483-T486 PolarHBondContact O-OG1 2.89Å; F484-T486 VanDerWaalsContact C-N 3.26Å | ||
| 487 | F | 86.8 | Confident | 81.9 | Confident | 113 Ų | 113 | 61 Ų | 61 | 50% | 0.496 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 128.1 | 179.7 | -168.4 | -92 | 0 | 0 | 0 | 111.1 | E445 D485 | E445-F487 HydrophobicContact CG-CE1 3.98Å; E445-F487 HydrophobicContact CG-CE2 4.39Å; E445-F487 HydrophobicContact CG-CZ 3.49Å; E445-F487 VanDerWaalsContact CG-CZ 3.49Å; D485-F487 PolarHBondContact O-N 3.08Å; D485-F487 VanDerWaalsContact O-N 3.13Å |
| 488 | V | 84.3 | Confident | 81.7 | Confident | 5 Ų | 5 | 61.1 Ų | 61.1 | 3% | 0.03 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 118.3 | 179.7 | -178.8 | 0 | 0 | 0 | 0 | 107.8 | L443 E445 G446 I448 M495 | L443-V488 HydrophobicContact CB-CG1 4.04Å; L443-V488 HydrophobicContact CD1-CG1 3.88Å; E445-V488 WeakPolarHBondContact CA-O 3.39Å; G446-V488 PolarHBondContact N-O 3.37Å; G446-V488 PolarHBondContact O-N 2.96Å; I448-V488 HydrophobicContact CD1-CG2 4.47Å; I448-V488 HydrophobicContact CG1-CG2 3.63Å; V488-M495 HydrophobicContact CG1-SD 4.34Å; V488-M495 HydrophobicContact CG2-SD 4.03Å |
| 489 | G | 74.8 | Confident | 81.7 | Confident | 21 Ų | 21 | 59 Ų | 59 | 22% | 0.216 | 35% | 0.345 | C | S | . | . | trans | -70.7 | -179.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R491 G492 | G489-R491 PolarHBondContact O-N 3.34Å; G489-G492 WeakPolarHBondContact O-CA 3.15Å; G489-G492 PolarHBondContact O-N 3.17Å | ||
| 490 | E | 69 | Low | 81.8 | Confident | 98 Ų | 98 | 53.2 Ų | 53.2 | 46% | 0.458 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -50.9 | 126.3 | 179.5 | -168.3 | 179.6 | 174.2 | 0 | 0 | 111.4 | G492 Q870 | E490-G492 PolarHBondContact O-N 2.92Å; E490-G492 VanDerWaalsContact O-N 3.08Å; E490-Q870 PolarHBondContact OE1-NE2 2.8Å |
| 491 | R | 66.3 | Low | 81.9 | Confident | 160 Ų | 160 | 51.6 Ų | 51.6 | 60% | 0.604 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | 57.9 | 15.8 | -175.7 | -57.9 | 178.4 | 179.1 | -165.7 | -4 | 115 | L443 G489 K500 | L443-R491 WeakPolarHBondContact O-CA 3.38Å; L443-R491 PolarHBondContact O-N 2.91Å; G489-R491 PolarHBondContact O-N 3.34Å; R491-K500 PolarHBondContact O-NZ 3.39Å |
| 492 | G | 62.4 | Low | 82.4 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | 66.9 | 41.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | G489 E490 G494 M495 K500 | G489-G492 WeakPolarHBondContact O-CA 3.15Å; G489-G492 PolarHBondContact O-N 3.17Å; E490-G492 PolarHBondContact O-N 2.92Å; E490-G492 VanDerWaalsContact O-N 3.08Å; G492-G494 PolarHBondContact O-N 3.48Å; G492-M495 PolarHBondContact O-N 3.37Å; G492-K500 WeakPolarHBondContact O-CE 3.25Å; G492-K500 PolarHBondContact O-NZ 3.46Å |
| 493 | G | 63.5 | Low | 82.8 | Confident | 62 Ų | 62 | 45.2 Ų | 45.2 | 64% | 0.639 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.1 | 127.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 494 | G | 69.9 | Low | 82.8 | Confident | 80 Ų | 80 | 43.1 Ų | 43.1 | 83% | 0.825 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.4 | -15 | -179 | 0 | 0 | 0 | 0 | 0 | 116 | G492 | G492-G494 PolarHBondContact O-N 3.48Š|
| 495 | M | 79.6 | Confident | 82.9 | Confident | 30 Ų | 30 | 42.9 Ų | 42.9 | 15% | 0.148 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -100.5 | 149.8 | 178.3 | -54.8 | -171.2 | 83.2 | 0 | 0 | 112.4 | L443 I448 F476 L480 V488 G492 Q499 K500 I503 | L443-M495 HydrophobicContact CD1-SD 4.08Å; I448-M495 HydrophobicContact CD1-CE 4.25Å; F476-M495 HydrophobicContact CE2-CE 3.7Å; F476-M495 HydrophobicContact CZ-CE 4.35Å; L480-M495 HydrophobicContact CD1-CE 4.26Å; V488-M495 HydrophobicContact CG1-SD 4.34Å; V488-M495 HydrophobicContact CG2-SD 4.03Å; G492-M495 PolarHBondContact O-N 3.37Å; M495-Q499 HydrophobicContact CB-CB 4.4Å; M495-Q499 HydrophobicContact CE-CB 4.22Å; M495-K500 HydrophobicContact CB-CG 3.94Å; M495-K500 VanDerWaalsContact O-CE 3.3Å; M495-K500 WeakPolarHBondContact O-CE 3.4Å; M495-I503 HydrophobicContact CE-CD1 3.55Å; M495-I503 HydrophobicContact SD-CD1 3.94Å |
| 496 | S | 85.3 | Confident | 83.1 | Confident | 48 Ų | 48 | 37.8 Ų | 37.8 | 34% | 0.336 | 23% | 0.227 | S | C | . | . | trans | -69.5 | 153.6 | 174.6 | 85 | 0 | 0 | 0 | 0 | 111.5 | G498 Q499 K500 | S496-G498 PolarHBondContact O-N 3.47Å; S496-Q499 WeakPolarHBondContact O-CB 3.3Å; S496-Q499 PolarHBondContact O-N 2.86Å; S496-Q499 VanDerWaalsContact O-N 3.08Å; S496-Q499 WeakPolarHBondContact OG-CG 3.34Å; S496-Q499 PolarHBondContact OG-N 2.78Å; S496-K500 WeakPolarHBondContact O-CG 3.31Å; S496-K500 PolarHBondContact O-N 2.88Å | ||
| 497 | G | 84.6 | Confident | 83.3 | Confident | 35 Ų | 35 | 37.5 Ų | 37.5 | 36% | 0.361 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -52.9 | -42.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q499 K500 Q501 | G497-Q499 PolarHBondContact O-N 2.96Å; G497-K500 PolarHBondContact O-N 2.93Å; G497-Q501 WeakPolarHBondContact O-CB 3.34Å; G497-Q501 PolarHBondContact O-N 2.83Å |
| 498 | G | 87.6 | Confident | 83.6 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.8 | -32.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S496 R502 L525 | S496-G498 PolarHBondContact O-N 3.47Å; G498-R502 WeakPolarHBondContact O-CG 3.4Å; G498-R502 PolarHBondContact O-N 2.92Å; G498-R502 VanDerWaalsContact O-N 3.13Å; G498-L525 VanDerWaalsContact N-CD2 3.34Å |
| 499 | Q | 90.5 | Very high | 84.1 | Confident | 47 Ų | 47 | 32.2 Ų | 32.2 | 22% | 0.22 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.2 | -45.9 | 173.1 | -74.2 | 170.7 | -24.8 | 0 | 0 | 111.2 | F476 M495 S496 G497 Q501 R502 I503 | F476-Q499 HydrophobicContact CD2-CB 4.45Å; F476-Q499 HydrophobicContact CD2-CG 3.85Å; F476-Q499 HydrophobicContact CE1-CB 4.46Å; F476-Q499 HydrophobicContact CE1-CG 4.38Å; F476-Q499 HydrophobicContact CE2-CB 3.84Å; F476-Q499 HydrophobicContact CE2-CG 3.75Å; F476-Q499 HydrophobicContact CG-CG 4.26Å; F476-Q499 HydrophobicContact CZ-CB 3.83Å; F476-Q499 HydrophobicContact CZ-CG 4.02Å; M495-Q499 HydrophobicContact CB-CB 4.4Å; M495-Q499 HydrophobicContact CE-CB 4.22Å; S496-Q499 WeakPolarHBondContact O-CB 3.3Å; S496-Q499 PolarHBondContact O-N 2.86Å; S496-Q499 VanDerWaalsContact O-N 3.08Å; S496-Q499 WeakPolarHBondContact OG-CG 3.34Å; S496-Q499 PolarHBondContact OG-N 2.78Å; G497-Q499 PolarHBondContact O-N 2.96Å; Q499-Q501 VanDerWaalsContact C-N 3.28Å; Q499-Q501 PolarHBondContact O-N 3.12Å; Q499-R502 PolarHBondContact O-N 3.33Å; Q499-I503 PolarHBondContact O-N 3.38Å; Q499-I503 VanDerWaalsContact O-N 3.12Å |
| 500 | K | 91.2 | Very high | 85 | Confident | 39 Ų | 39 | 31.7 Ų | 31.7 | 17% | 0.17 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.5 | -41.8 | 176 | -63.7 | -178.9 | -172.3 | -167.3 | 0 | 111.5 | P441 L443 R491 G492 M495 S496 G497 R502 I503 A504 | P441-K500 HydrophobicContact CB-CB 3.96Å; P441-K500 HydrophobicContact CG-CB 3.48Å; P441-K500 VanDerWaalsContact CG-CB 3.48Å; L443-K500 HydrophobicContact CD1-CB 4.32Å; L443-K500 HydrophobicContact CD1-CG 4.04Å; R491-K500 PolarHBondContact O-NZ 3.39Å; G492-K500 WeakPolarHBondContact O-CE 3.25Å; G492-K500 PolarHBondContact O-NZ 3.46Å; M495-K500 HydrophobicContact CB-CG 3.94Å; M495-K500 VanDerWaalsContact O-CE 3.3Å; M495-K500 WeakPolarHBondContact O-CE 3.4Å; S496-K500 WeakPolarHBondContact O-CG 3.31Å; S496-K500 PolarHBondContact O-N 2.88Å; G497-K500 PolarHBondContact O-N 2.93Å; K500-R502 PolarHBondContact O-N 3.15Å; K500-I503 PolarHBondContact O-N 3.23Å; K500-A504 PolarHBondContact O-N 3.01Å |
| 501 | Q | 91.1 | Very high | 85.9 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.5 | -44.1 | 179.4 | -160.5 | 67.5 | -4.2 | 0 | 0 | 111.5 | V437 Q438 P441 G497 Q499 I503 A504 I505 A521 L525 V533 | V437-Q501 VanDerWaalsContact CG1-NE2 3.3Å; Q438-Q501 PolarHBondContact O-NE2 2.94Å; P441-Q501 HydrophobicContact CG-CB 4.33Å; G497-Q501 WeakPolarHBondContact O-CB 3.34Å; G497-Q501 PolarHBondContact O-N 2.83Å; Q499-Q501 VanDerWaalsContact C-N 3.28Å; Q499-Q501 PolarHBondContact O-N 3.12Å; Q501-I503 VanDerWaalsContact C-N 3.34Å; Q501-I503 PolarHBondContact O-N 3.13Å; Q501-A504 CarbonylContact O-C 3.59Å; Q501-A504 WeakPolarHBondContact O-CB 3.43Å; Q501-A504 PolarHBondContact O-N 2.94Å; Q501-A504 VanDerWaalsContact O-N 3.13Å; Q501-I505 VanDerWaalsContact O-CG1 3.31Å; Q501-I505 WeakPolarHBondContact O-CG1 3.35Å; Q501-I505 PolarHBondContact O-N 3.27Å; Q501-A521 WeakPolarHBondContact CG-O 3.43Å; Q501-A521 VanDerWaalsContact NE2-CA 3.35Å; Q501-A521 PolarHBondContact NE2-O 2.9Å; Q501-L525 HydrophobicContact CG-CD1 4.42Å; Q501-V533 HydrophobicContact CB-CG1 4.42Å; Q501-V533 HydrophobicContact CB-CG2 4.13Å; Q501-V533 HydrophobicContact CG-CG1 3.81Å; Q501-V533 HydrophobicContact CG-CG2 4.41Å |
| 502 | R | 92.9 | Very high | 87.1 | Confident | 35 Ų | 35 | 27.3 Ų | 27.3 | 13% | 0.132 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.8 | -37.2 | 175.8 | -73.3 | -173.4 | -72.1 | 173.3 | -4.2 | 113.2 | A471 N472 A473 F476 G498 Q499 K500 I505 A506 V533 | A471-R502 WeakPolarHBondContact CB-O 3.17Å; A471-R502 WeakPolarHBondContact O-CD 3.16Å; A471-R502 WeakPolarHBondContact O-CG 3.14Å; N472-R502 WeakPolarHBondContact O-CD 2.96Å; N472-R502 PolarHBondContact O-NH1 3Å; A473-R502 HydrophobicContact CB-CB 4.05Å; F476-R502 VanDerWaalsContact CD1-NH2 3.26Å; F476-R502 HydrophobicContact CE1-CB 4.17Å; G498-R502 WeakPolarHBondContact O-CG 3.4Å; G498-R502 PolarHBondContact O-N 2.92Å; G498-R502 VanDerWaalsContact O-N 3.13Å; Q499-R502 PolarHBondContact O-N 3.33Å; K500-R502 PolarHBondContact O-N 3.15Å; R502-I505 PolarHBondContact O-N 3.21Å; R502-A506 PolarHBondContact O-N 3.11Å; R502-V533 HydrophobicContact CG-CG2 4.02Å |
| 503 | I | 93.7 | Very high | 88.5 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66 | -40.3 | 173.1 | -64.8 | 168.6 | 0 | 0 | 0 | 110.7 | L443 I448 N451 I452 F476 M495 Q499 K500 Q501 I505 A506 R507 | L443-I503 HydrophobicContact CD1-CD1 4.05Å; L443-I503 HydrophobicContact CD1-CG2 4.46Å; L443-I503 HydrophobicContact CD2-CB 4.07Å; L443-I503 HydrophobicContact CD2-CG2 3.57Å; I448-I503 HydrophobicContact CD1-CD1 4.43Å; I448-I503 HydrophobicContact CG1-CD1 4.41Å; I448-I503 HydrophobicContact CG2-CD1 4.22Å; I448-I503 HydrophobicContact CG2-CG1 4.46Å; N451-I503 HydrophobicContact CB-CG2 4.3Å; I452-I503 HydrophobicContact CG1-CG2 4.13Å; F476-I503 HydrophobicContact CZ-CD1 4.09Å; F476-I503 HydrophobicContact CZ-CG1 4.01Å; M495-I503 HydrophobicContact CE-CD1 3.55Å; M495-I503 HydrophobicContact SD-CD1 3.94Å; Q499-I503 PolarHBondContact O-N 3.38Å; Q499-I503 VanDerWaalsContact O-N 3.12Å; K500-I503 PolarHBondContact O-N 3.23Å; Q501-I503 VanDerWaalsContact C-N 3.34Å; Q501-I503 PolarHBondContact O-N 3.13Å; I503-I505 VanDerWaalsContact C-N 3.34Å; I503-I505 PolarHBondContact O-N 3.25Å; I503-A506 PolarHBondContact O-N 3.19Å; I503-R507 PolarHBondContact O-N 3.34Å |
| 504 | A | 92.7 | Very high | 89.9 | Confident | 5 Ų | 5 | 29.3 Ų | 29.3 | 4% | 0.041 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.5 | -37 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | P441 K500 Q501 R507 A508 | P441-A504 HydrophobicContact CB-CB 3.85Å; K500-A504 PolarHBondContact O-N 3.01Å; Q501-A504 CarbonylContact O-C 3.59Å; Q501-A504 WeakPolarHBondContact O-CB 3.43Å; Q501-A504 PolarHBondContact O-N 2.94Å; Q501-A504 VanDerWaalsContact O-N 3.13Å; A504-R507 WeakPolarHBondContact O-CB 3.28Å; A504-R507 PolarHBondContact O-N 3.28Å; A504-A508 PolarHBondContact O-N 3.36Å |
| 505 | I | 94 | Very high | 91 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.3 | -47.5 | 172.4 | -66.4 | 165.1 | 0 | 0 | 0 | 110 | V437 A471 Q501 R502 I503 R507 A508 L509 V533 A536 L537 A540 | V437-I505 HydrophobicContact CG1-CG1 4.04Å; V437-I505 HydrophobicContact CG2-CG1 4.09Å; A471-I505 HydrophobicContact CB-CB 4.01Å; A471-I505 HydrophobicContact CB-CG2 3.73Å; Q501-I505 VanDerWaalsContact O-CG1 3.31Å; Q501-I505 WeakPolarHBondContact O-CG1 3.35Å; Q501-I505 PolarHBondContact O-N 3.27Å; R502-I505 PolarHBondContact O-N 3.21Å; I503-I505 VanDerWaalsContact C-N 3.34Å; I503-I505 PolarHBondContact O-N 3.25Å; I505-R507 VanDerWaalsContact C-N 3.3Å; I505-R507 PolarHBondContact O-N 2.92Å; I505-A508 PolarHBondContact O-N 3.18Å; I505-A508 VanDerWaalsContact O-N 3.08Å; I505-L509 HydrophobicContact CG2-CD1 3.8Å; I505-L509 HydrophobicContact CG2-CG 4.18Å; I505-L509 WeakPolarHBondContact O-CB 3.43Å; I505-L509 WeakPolarHBondContact O-CG 3.35Å; I505-L509 PolarHBondContact O-N 2.92Å; I505-V533 HydrophobicContact CD1-CG1 4.1Å; I505-A536 HydrophobicContact CD1-CB 4.1Å; I505-L537 HydrophobicContact CD1-CD2 3.7Å; I505-L537 HydrophobicContact CD1-CG 4.05Å; I505-L537 HydrophobicContact CG1-CD2 4.02Å; I505-A540 HydrophobicContact CG2-CB 4.25Å |
| 506 | A | 95 | Very high | 91.7 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58 | -43 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I452 A467 A471 R502 I503 A508 L509 I510 | I452-A506 HydrophobicContact CD1-CB 4.11Å; I452-A506 HydrophobicContact CG1-CB 4.1Å; I452-A506 HydrophobicContact CG2-CB 4.37Å; A467-A506 HydrophobicContact CB-CB 4.45Å; A471-A506 HydrophobicContact CB-CB 3.82Å; R502-A506 PolarHBondContact O-N 3.11Å; I503-A506 PolarHBondContact O-N 3.19Å; A506-A508 VanDerWaalsContact C-N 3.31Å; A506-A508 PolarHBondContact O-N 3.13Å; A506-L509 PolarHBondContact O-N 3.07Å; A506-I510 PolarHBondContact O-N 3.32Å |
| 507 | R | 94 | Very high | 92.1 | Very high | 5 Ų | 5 | 21.9 Ų | 21.9 | 2% | 0.019 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.9 | -34 | 174.9 | -174.9 | 174.4 | 66.8 | -152.3 | -3.7 | 113.1 | I442 N451 G455 I503 A504 I505 I510 H882 | I442-R507 VanDerWaalsContact O-CZ 3.29Å; I442-R507 PolarHBondContact O-NH1 3.42Å; I442-R507 PolarHBondContact O-NH2 3.3Å; N451-R507 WeakPolarHBondContact O-CD 3.19Å; G455-R507 WeakPolarHBondContact CA-O 3.42Å; I503-R507 PolarHBondContact O-N 3.34Å; A504-R507 WeakPolarHBondContact O-CB 3.28Å; A504-R507 PolarHBondContact O-N 3.28Å; I505-R507 VanDerWaalsContact C-N 3.3Å; I505-R507 PolarHBondContact O-N 2.92Å; R507-I510 WeakPolarHBondContact O-CG2 3.21Å; R507-H882 PolarHBondContact NE-NE2 3.23Å; R507-H882 VanDerWaalsContact NE-NE2 3.2Å |
| 508 | A | 93.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -74.9 | -39.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | V437 A504 I505 A506 P513 | V437-A508 HydrophobicContact CG2-CB 4.08Å; A504-A508 PolarHBondContact O-N 3.36Å; I505-A508 PolarHBondContact O-N 3.18Å; I505-A508 VanDerWaalsContact O-N 3.08Å; A506-A508 VanDerWaalsContact C-N 3.31Å; A506-A508 PolarHBondContact O-N 3.13Å; A508-P513 WeakPolarHBondContact O-CD 3.46Å |
| 509 | L | 93.5 | Very high | 92.7 | Very high | 8 Ų | 8 | 21.2 Ų | 21.2 | 4% | 0.042 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -75.1 | -28.4 | -175.1 | -73.6 | -179.7 | 0 | 0 | 0 | 114.4 | L470 I505 A506 R511 K512 A540 | L470-L509 HydrophobicContact CB-CD1 3.84Å; I505-L509 HydrophobicContact CG2-CD1 3.8Å; I505-L509 HydrophobicContact CG2-CG 4.18Å; I505-L509 WeakPolarHBondContact O-CB 3.43Å; I505-L509 WeakPolarHBondContact O-CG 3.35Å; I505-L509 PolarHBondContact O-N 2.92Å; A506-L509 PolarHBondContact O-N 3.07Å; L509-R511 PolarHBondContact O-N 3.2Å; L509-R511 VanDerWaalsContact O-N 3.09Å; L509-K512 WeakPolarHBondContact O-CA 3.39Å; L509-K512 PolarHBondContact O-N 2.76Å; L509-A540 HydrophobicContact CD1-CB 3.94Å; L509-A540 HydrophobicContact CD2-CB 3.91Å; L509-A540 HydrophobicContact CG-CB 4.3Å |
| 510 | I | 93.8 | Very high | 92.6 | Very high | 10 Ų | 10 | 20.3 Ų | 20.3 | 5% | 0.051 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -24.1 | -178.9 | -159.6 | 175.7 | 0 | 0 | 0 | 113.3 | I452 K456 A459 I464 A467 A506 R507 K512 | I452-I510 HydrophobicContact CG2-CD1 3.9Å; K456-I510 HydrophobicContact CB-CD1 4.37Å; K456-I510 HydrophobicContact CB-CG1 4.2Å; K456-I510 HydrophobicContact CB-CG2 3.96Å; A459-I510 HydrophobicContact CB-CD1 3.37Å; A459-I510 HydrophobicContact CB-CG1 4.11Å; I464-I510 HydrophobicContact CG1-CD1 3.97Å; A467-I510 HydrophobicContact CB-CB 4.06Å; A467-I510 HydrophobicContact CB-CG1 4.33Å; A506-I510 PolarHBondContact O-N 3.32Å; R507-I510 WeakPolarHBondContact O-CG2 3.21Å; I510-K512 PolarHBondContact O-N 3.47Å |
| 511 | R | 89.2 | Confident | 92.2 | Very high | 41 Ų | 41 | 18.8 Ų | 18.8 | 16% | 0.155 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -11.1 | 173.9 | -66.3 | -176.6 | -179.8 | -143.5 | -24.2 | 113.9 | N432 G455 L509 H882 T883 | N432-R511 PolarHBondContact OD1-NH1 2.76Å; G455-R511 VanDerWaalsContact O-CG 3.22Å; G455-R511 WeakPolarHBondContact O-CG 3.38Å; G455-R511 PolarHBondContact O-NE 3.16Å; G455-R511 PolarHBondContact O-NH2 3.2Å; L509-R511 PolarHBondContact O-N 3.2Å; L509-R511 VanDerWaalsContact O-N 3.09Å; R511-H882 VanDerWaalsContact NH2-C 3.3Å; R511-H882 PolarHBondContact NH2-O 3.47Å; R511-T883 PolarHBondContact NH1-OG1 3.27Å |
| 512 | K | 90.8 | Very high | 91.9 | Very high | 125 Ų | 125 | 19 Ų | 19 | 54% | 0.543 | 9% | 0.085 | S | C | . | . | trans | 50.9 | 56.5 | -169 | -59.9 | -176.4 | 177.8 | -176.7 | 0 | 111.9 | L509 I510 | L509-K512 WeakPolarHBondContact O-CA 3.39Å; L509-K512 PolarHBondContact O-N 2.76Å; I510-K512 PolarHBondContact O-N 3.47Å | ||
| 513 | P | 92.5 | Very high | 91.3 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.006 | 9% | 0.091 | C | C | . | . | trans | -65.7 | 147.5 | -173.5 | 30.5 | -37.1 | 0 | 0 | 0 | 111.8 | A508 L516 R544 | A508-P513 WeakPolarHBondContact O-CD 3.46Å; P513-L516 HydrophobicContact CG-CD1 4.48Å; P513-R544 WeakPolarHBondContact O-CD 3.26Å; P513-R544 WeakPolarHBondContact O-CG 3.37Å; P513-R544 PolarHBondContact O-NE 3.42Å | ||
| 514 | K | 91.8 | Very high | 90.4 | Very high | 102 Ų | 102 | 22.2 Ų | 22.2 | 44% | 0.443 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -92.4 | -29.9 | 174.5 | -66.8 | -66.4 | -176.5 | -178.9 | 0 | 112.2 | F352 Q433 T545 | F352-K514 HydrophobicContact CD1-CB 3.46Å; F352-K514 VanDerWaalsContact CD1-CB 3.46Å; F352-K514 HydrophobicContact CD1-CG 4.03Å; F352-K514 HydrophobicContact CE1-CB 3.61Å; Q433-K514 PolarHBondContact O-N 3.48Å; Q433-K514 VanDerWaalsContact O-N 3.08Å; K514-T545 PolarHBondContact O-N 3.32Å |
| 515 | L | 93.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 118.1 | 171.7 | 179.4 | 62.1 | 0 | 0 | 0 | 109.1 | F352 V356 Q433 I434 G435 L517 T545 V547 | F352-L515 HydrophobicContact CE1-CB 4Å; F352-L515 HydrophobicContact CZ-CB 4.05Å; V356-L515 HydrophobicContact CG2-CD2 4.2Å; Q433-L515 PolarHBondContact O-N 3Å; I434-L515 WeakPolarHBondContact CA-O 3.43Å; I434-L515 HydrophobicContact CG1-CD2 4.37Å; G435-L515 PolarHBondContact N-O 3Å; L515-L517 HydrophobicContact CD1-CD2 4.11Å; L515-L517 HydrophobicContact CD2-CD2 4.2Å; L515-L517 HydrophobicContact CG-CD2 3.92Å; L515-L517 HydrophobicContact CG-CG 4.49Å; L515-T545 CarbonylContact C-O 3.46Å; L515-T545 WeakPolarHBondContact CA-O 3.47Å; L515-T545 HydrophobicContact CD1-CG2 3.89Å; L515-V547 HydrophobicContact CD1-CG2 4.27Å |
| 516 | L | 94.3 | Very high | 89.1 | Confident | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 122.6 | 177.8 | -173.8 | 65.9 | 0 | 0 | 0 | 110 | G435 P513 L518 A540 T545 V546 V547 | G435-L516 CarbonylContact O-C 3.52Å; G435-L516 WeakPolarHBondContact O-CA 3.31Å; P513-L516 HydrophobicContact CG-CD1 4.48Å; L516-L518 HydrophobicContact CD1-CD2 4.29Å; L516-L518 HydrophobicContact CD2-CD2 4.1Å; L516-L518 HydrophobicContact CD2-CG 4.46Å; L516-L518 HydrophobicContact CG-CD2 3.91Å; L516-L518 HydrophobicContact CG-CG 4.27Å; L516-A540 HydrophobicContact CD2-CB 4.1Å; L516-T545 PolarHBondContact N-O 3.45Å; L516-V546 HydrophobicContact CB-CG2 4.24Å; L516-V546 HydrophobicContact CD2-CG2 4.46Å; L516-V546 WeakPolarHBondContact O-CA 3.47Å; L516-V547 PolarHBondContact O-N 2.73Å |
| 517 | L | 94.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 121.2 | 179.8 | -52.3 | -179.3 | 0 | 0 | 0 | 109.1 | I401 L404 Q405 I434 G435 C436 V437 L515 V547 | I401-L517 HydrophobicContact CG2-CB 4.33Å; I401-L517 HydrophobicContact CG2-CD1 4.31Å; L404-L517 HydrophobicContact CB-CD1 4.03Å; L404-L517 HydrophobicContact CB-CD2 4.36Å; L404-L517 HydrophobicContact CD1-CD2 3.65Å; Q405-L517 HydrophobicContact CG-CD1 3.71Å; I434-L517 HydrophobicContact CG2-CD1 3.59Å; I434-L517 HydrophobicContact CG2-CG 3.8Å; G435-L517 PolarHBondContact O-N 2.91Å; C436-L517 CarbonylContact C-O 3.21Å; C436-L517 WeakPolarHBondContact CA-O 3.33Å; C436-L517 HydrophobicContact CB-CB 4.33Å; V437-L517 PolarHBondContact N-O 3.4Å; L515-L517 HydrophobicContact CD1-CD2 4.11Å; L515-L517 HydrophobicContact CD2-CD2 4.2Å; L515-L517 HydrophobicContact CG-CD2 3.92Å; L515-L517 HydrophobicContact CG-CG 4.49Å; L517-V547 HydrophobicContact CD2-CB 3.92Å; L517-V547 HydrophobicContact CD2-CG2 4.18Å |
| 518 | L | 93.1 | Very high | 87.3 | Confident | 6 Ų | 6 | 38.9 Ų | 38.9 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 102.3 | -179.1 | -55.8 | 179.9 | 0 | 0 | 0 | 108.6 | V437 L516 L537 V546 V547 V548 V549 | V437-L518 HydrophobicContact CB-CD2 3.77Å; V437-L518 HydrophobicContact CG2-CD2 3.75Å; L516-L518 HydrophobicContact CD1-CD2 4.29Å; L516-L518 HydrophobicContact CD2-CD2 4.1Å; L516-L518 HydrophobicContact CD2-CG 4.46Å; L516-L518 HydrophobicContact CG-CD2 3.91Å; L516-L518 HydrophobicContact CG-CG 4.27Å; L518-L537 HydrophobicContact CD1-CD2 4.08Å; L518-L537 HydrophobicContact CD2-CD2 3.64Å; L518-L537 HydrophobicContact CG-CD2 4.47Å; L518-V546 HydrophobicContact CD1-CG1 3.88Å; L518-V546 HydrophobicContact CG-CG1 4.25Å; L518-V547 PolarHBondContact N-O 3.2Å; L518-V548 HydrophobicContact CB-CB 4.2Å; L518-V548 HydrophobicContact CB-CG2 4.08Å; L518-V548 HydrophobicContact CD1-CB 4.42Å; L518-V548 HydrophobicContact CD1-CG2 4.43Å; L518-V549 PolarHBondContact O-N 3.01Å |
| 519 | D | 91.5 | Very high | 86.7 | Confident | 16 Ų | 16 | 39.9 Ų | 39.9 | 9% | 0.086 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 94.4 | -177.6 | -166.5 | 21.6 | 0 | 0 | 0 | 110.2 | S398 I401 V437 Q438 Q439 A521 | S398-D519 WeakPolarHBondContact CB-OD1 3.36Å; S398-D519 PolarHBondContact OG-OD1 3.16Å; I401-D519 HydrophobicContact CD1-CB 3.56Å; I401-D519 HydrophobicContact CG2-CB 4.31Å; V437-D519 PolarHBondContact O-N 2.93Å; Q438-D519 CarbonylContact C-O 3.59Å; Q439-D519 VanDerWaalsContact CA-O 3.3Å; Q439-D519 WeakPolarHBondContact CA-O 3.37Å; Q439-D519 PolarHBondContact N-O 2.89Å; D519-A521 PolarHBondContact O-N 2.99Å; D519-A521 VanDerWaalsContact O-N 3.08Å |
| 520 | E | 87.9 | Confident | 86.2 | Confident | 29 Ų | 29 | 40.1 Ų | 40.1 | 14% | 0.136 | 21% | 0.209 | C | C | . | . | S | Bend | trans | 49.4 | 38.5 | 179.6 | -58.7 | -167.2 | -178.2 | 0 | 0 | 114 | Q439 T522 S523 V549 | Q439-E520 HydrophobicContact CB-CB 4.23Å; Q439-E520 HydrophobicContact CG-CB 4.1Å; Q439-E520 PolarHBondContact NE2-OE2 3.48Å; Q439-E520 VanDerWaalsContact NE2-OE2 3.16Å; E520-T522 PolarHBondContact O-N 2.76Å; E520-S523 PolarHBondContact O-N 3.15Å; E520-S523 PolarHBondContact O-OG 2.96Å; E520-S523 PolarHBondContact OE2-OG 3.27Å; E520-V549 VanDerWaalsContact CA-O 3.29Å; E520-V549 WeakPolarHBondContact CA-O 3.46Å; E520-V549 HydrophobicContact CG-CG1 3.79Å; E520-V549 PolarHBondContact N-O 2.89Å |
| 521 | A | 84.1 | Confident | 85.7 | Confident | 6 Ų | 6 | 48.5 Ų | 48.5 | 5% | 0.05 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -7.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | V437 Q501 D519 L537 | V437-A521 HydrophobicContact CB-CB 4.44Å; V437-A521 HydrophobicContact CG1-CB 3.84Å; Q501-A521 WeakPolarHBondContact CG-O 3.43Å; Q501-A521 VanDerWaalsContact NE2-CA 3.35Å; Q501-A521 PolarHBondContact NE2-O 2.9Å; D519-A521 PolarHBondContact O-N 2.99Å; D519-A521 VanDerWaalsContact O-N 3.08Å; A521-L537 HydrophobicContact CB-CD1 3.9Å; A521-L537 HydrophobicContact CB-CD2 4.45Å |
| 522 | T | 85 | Confident | 85.5 | Confident | 6 Ų | 6 | 49.4 Ų | 49.4 | 4% | 0.037 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | -5.7 | 179.7 | 54.2 | 0 | 0 | 0 | 0 | 114.4 | E520 A524 L525 E530 V533 L537 | E520-T522 PolarHBondContact O-N 2.76Å; T522-A524 PolarHBondContact O-N 3.09Å; T522-L525 PolarHBondContact O-N 3.08Å; T522-E530 HydrophobicContact CG2-CG 4.27Å; T522-V533 HydrophobicContact CG2-CG1 4.28Å; T522-L537 HydrophobicContact CG2-CD1 3.97Å |
| 523 | S | 78.6 | Confident | 85.4 | Confident | 36 Ų | 36 | 43.4 Ų | 43.4 | 25% | 0.252 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -30.2 | -167.9 | 66.9 | 0 | 0 | 0 | 0 | 114.2 | Q439 E520 | Q439-S523 WeakPolarHBondContact CG-OG 3.32Å; Q439-S523 PolarHBondContact NE2-OG 2.89Å; E520-S523 PolarHBondContact O-N 3.15Å; E520-S523 PolarHBondContact O-OG 2.96Å; E520-S523 PolarHBondContact OE2-OG 3.27Å |
| 524 | A | 74.7 | Confident | 85.1 | Confident | 67 Ų | 67 | 45.1 Ų | 45.1 | 55% | 0.554 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93 | 9.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | T522 | T522-A524 PolarHBondContact O-N 3.09Š|
| 525 | L | 80.6 | Confident | 84.9 | Confident | 16 Ų | 16 | 43.7 Ų | 43.7 | 8% | 0.084 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -101.1 | 147.8 | -175.1 | -60.4 | -177.6 | 0 | 0 | 0 | 112.5 | G498 Q501 T522 E530 V533 | G498-L525 VanDerWaalsContact N-CD2 3.34Å; Q501-L525 HydrophobicContact CG-CD1 4.42Å; T522-L525 PolarHBondContact O-N 3.08Å; L525-E530 HydrophobicContact CB-CB 4.2Å; L525-V533 HydrophobicContact CD1-CB 3.79Å; L525-V533 HydrophobicContact CD1-CG1 3.86Å; L525-V533 HydrophobicContact CD1-CG2 3.66Å |
| 526 | D | 79 | Confident | 84.6 | Confident | 87 Ų | 87 | 43.7 Ų | 43.7 | 47% | 0.465 | 23% | 0.231 | S | C | . | . | trans | -67.8 | 153.2 | 166.2 | 68.6 | -88.7 | 0 | 0 | 0 | 110.9 | K528 S529 E530 | D526-K528 PolarHBondContact O-N 3.33Å; D526-K528 VanDerWaalsContact O-N 3.08Å; D526-K528 WeakPolarHBondContact OD2-CB 3.29Å; D526-K528 PolarHBondContact OD2-N 2.83Å; D526-S529 VanDerWaalsContact CG-OG 3.3Å; D526-S529 PolarHBondContact O-N 3.28Å; D526-S529 VanDerWaalsContact O-N 3.12Å; D526-S529 WeakPolarHBondContact OD1-CB 3.39Å; D526-S529 PolarHBondContact OD1-OG 3.1Å; D526-S529 PolarHBondContact OD2-N 3.37Å; D526-S529 PolarHBondContact OD2-OG 2.89Å; D526-E530 VanDerWaalsContact O-CB 3.29Å; D526-E530 WeakPolarHBondContact O-CB 3.37Å; D526-E530 PolarHBondContact O-N 3.46Å | ||
| 527 | T | 76.1 | Confident | 84.4 | Confident | 86 Ų | 86 | 43.9 Ų | 43.9 | 53% | 0.528 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -56.8 | -30.8 | -172.9 | -40.1 | 0 | 0 | 0 | 0 | 113.8 | R531 | T527-R531 PolarHBondContact O-N 2.97Å |
| 528 | K | 76.5 | Confident | 84 | Confident | 172 Ų | 172 | 47.5 Ų | 47.5 | 75% | 0.748 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -76 | -49 | 178.2 | -174.5 | -179.3 | 179.9 | 178.8 | 0 | 110.7 | D526 E530 R531 | D526-K528 PolarHBondContact O-N 3.33Å; D526-K528 VanDerWaalsContact O-N 3.08Å; D526-K528 WeakPolarHBondContact OD2-CB 3.29Å; D526-K528 PolarHBondContact OD2-N 2.83Å; K528-E530 VanDerWaalsContact C-N 3.28Å; K528-E530 PolarHBondContact O-N 3.3Å; K528-R531 PolarHBondContact O-N 2.91Å |
| 529 | S | 80.7 | Confident | 83.8 | Confident | 22 Ų | 22 | 51.7 Ų | 51.7 | 15% | 0.154 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.1 | -38.1 | 175.7 | -68.9 | 0 | 0 | 0 | 0 | 112.2 | D526 V532 V533 | D526-S529 VanDerWaalsContact CG-OG 3.3Å; D526-S529 PolarHBondContact O-N 3.28Å; D526-S529 VanDerWaalsContact O-N 3.12Å; D526-S529 WeakPolarHBondContact OD1-CB 3.39Å; D526-S529 PolarHBondContact OD1-OG 3.1Å; D526-S529 PolarHBondContact OD2-N 3.37Å; D526-S529 PolarHBondContact OD2-OG 2.89Å; S529-V532 PolarHBondContact O-N 3.37Å; S529-V533 WeakPolarHBondContact O-CB 3.44Å; S529-V533 WeakPolarHBondContact O-CG2 3.44Å; S529-V533 PolarHBondContact O-N 2.86Å |
| 530 | E | 83 | Confident | 83.6 | Confident | 13 Ų | 13 | 51 Ų | 51 | 6% | 0.061 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.7 | -49.3 | 177.9 | 175.8 | -174 | -174.4 | 0 | 0 | 112.3 | T522 L525 D526 K528 V532 V533 Q534 R552 | T522-E530 HydrophobicContact CG2-CG 4.27Å; L525-E530 HydrophobicContact CB-CB 4.2Å; D526-E530 VanDerWaalsContact O-CB 3.29Å; D526-E530 WeakPolarHBondContact O-CB 3.37Å; D526-E530 PolarHBondContact O-N 3.46Å; K528-E530 VanDerWaalsContact C-N 3.28Å; K528-E530 PolarHBondContact O-N 3.3Å; E530-V532 VanDerWaalsContact C-N 3.27Å; E530-V532 PolarHBondContact O-N 2.91Å; E530-V533 CarbonylContact O-C 3.48Å; E530-V533 PolarHBondContact O-N 2.89Å; E530-V533 VanDerWaalsContact O-N 3.15Å; E530-Q534 WeakPolarHBondContact O-CB 3.2Å; E530-Q534 PolarHBondContact O-N 3.09Å; E530-R552 VanDerWaalsContact CD-CZ 3.4Å; E530-R552 WeakPolarHBondContact OE1-CD 3.44Å; E530-R552 IonicContact OE1-CZ 3.98Å; E530-R552 IonicContact OE1-NE 3.86Å; E530-R552 PolarHBondContact OE1-NE 3.47Å; E530-R552 IonicContact OE1-NH1 3.5Å; E530-R552 PolarHBondContact OE1-NH1 3.16Å; E530-R552 IonicContact OE2-CZ 3.9Å; E530-R552 IonicContact OE2-NE 3.1Å; E530-R552 IonicContact OE2-NH1 3.53Å; E530-R552 PolarHBondContact OE2-NH1 3.25Å; E530-R552 IonicContact OE2-NH2 3.07Å; E530-R552 PolarHBondContact OE2-NH2 3.18Å; E530-R552 VanDerWaalsContact OE2-NH2 3.17Å |
| 531 | R | 83.4 | Confident | 83.7 | Confident | 186 Ų | 186 | 50.7 Ų | 50.7 | 70% | 0.702 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -56.7 | -43.6 | 178.4 | -73.5 | -178.8 | -175.8 | 170.9 | 1.1 | 111.6 | T527 K528 Q534 V535 | T527-R531 PolarHBondContact O-N 2.97Å; K528-R531 PolarHBondContact O-N 2.91Å; R531-Q534 PolarHBondContact O-N 3.45Å; R531-V535 WeakPolarHBondContact O-CG2 3.35Å; R531-V535 PolarHBondContact O-N 3.43Å; R531-V535 VanDerWaalsContact O-N 3.15Å |
| 532 | V | 84.7 | Confident | 83.8 | Confident | 59 Ų | 59 | 57.2 Ų | 57.2 | 36% | 0.358 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.2 | -40.1 | 179.7 | -179.1 | 0 | 0 | 0 | 0 | 111.5 | S529 E530 A536 | S529-V532 PolarHBondContact O-N 3.37Å; E530-V532 VanDerWaalsContact C-N 3.27Å; E530-V532 PolarHBondContact O-N 2.91Å; V532-A536 PolarHBondContact O-N 2.98Å |
| 533 | V | 87.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -69.8 | -38.5 | 176.5 | 168.9 | 0 | 0 | 0 | 0 | 111.4 | Q501 R502 I505 T522 L525 S529 E530 V535 A536 L537 | Q501-V533 HydrophobicContact CB-CG1 4.42Å; Q501-V533 HydrophobicContact CB-CG2 4.13Å; Q501-V533 HydrophobicContact CG-CG1 3.81Å; Q501-V533 HydrophobicContact CG-CG2 4.41Å; R502-V533 HydrophobicContact CG-CG2 4.02Å; I505-V533 HydrophobicContact CD1-CG1 4.1Å; T522-V533 HydrophobicContact CG2-CG1 4.28Å; L525-V533 HydrophobicContact CD1-CB 3.79Å; L525-V533 HydrophobicContact CD1-CG1 3.86Å; L525-V533 HydrophobicContact CD1-CG2 3.66Å; S529-V533 WeakPolarHBondContact O-CB 3.44Å; S529-V533 WeakPolarHBondContact O-CG2 3.44Å; S529-V533 PolarHBondContact O-N 2.86Å; E530-V533 CarbonylContact O-C 3.48Å; E530-V533 PolarHBondContact O-N 2.89Å; E530-V533 VanDerWaalsContact O-N 3.15Å; V533-V535 PolarHBondContact O-N 3.26Å; V533-A536 CarbonylContact O-C 3.58Å; V533-A536 WeakPolarHBondContact O-CA 3.23Å; V533-A536 WeakPolarHBondContact O-CB 3.42Å; V533-A536 PolarHBondContact O-N 3.42Å; V533-L537 HydrophobicContact CG1-CD1 4.14Å; V533-L537 HydrophobicContact CG1-CG 4.29Å; V533-L537 WeakPolarHBondContact O-CG 3.33Å; V533-L537 PolarHBondContact O-N 3.17Å |
| 534 | Q | 86.4 | Confident | 84.5 | Confident | 36 Ų | 36 | 61.2 Ų | 61.2 | 17% | 0.168 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 177.6 | -172.7 | 62.3 | 38.1 | 0 | 0 | 111 | E530 R531 A536 L537 D538 T555 | E530-Q534 WeakPolarHBondContact O-CB 3.2Å; E530-Q534 PolarHBondContact O-N 3.09Å; R531-Q534 PolarHBondContact O-N 3.45Å; Q534-A536 PolarHBondContact O-N 3.4Å; Q534-L537 CarbonylContact O-C 3.59Å; Q534-L537 WeakPolarHBondContact O-CA 3.31Å; Q534-L537 WeakPolarHBondContact O-CB 3.43Å; Q534-L537 PolarHBondContact O-N 2.86Å; Q534-D538 PolarHBondContact NE2-OD1 3.05Å; Q534-D538 VanDerWaalsContact O-CG 3.24Å; Q534-D538 PolarHBondContact O-N 2.93Å; Q534-T555 VanDerWaalsContact OE1-CG2 3.23Å |
| 535 | V | 87.2 | Confident | 85.4 | Confident | 72 Ų | 72 | 58 Ų | 58 | 44% | 0.436 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.4 | -34.5 | 174.5 | 177.7 | 0 | 0 | 0 | 0 | 111.6 | R531 V533 K539 | R531-V535 WeakPolarHBondContact O-CG2 3.35Å; R531-V535 PolarHBondContact O-N 3.43Å; R531-V535 VanDerWaalsContact O-N 3.15Å; V533-V535 PolarHBondContact O-N 3.26Å; V535-K539 WeakPolarHBondContact O-CG 3.41Å; V535-K539 PolarHBondContact O-N 3.09Å |
| 536 | A | 87.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -71 | -36.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A471 N472 I505 V532 V533 Q534 A540 | A471-A536 WeakPolarHBondContact O-CB 3.26Å; N472-A536 HydrophobicContact CB-CB 4.33Å; N472-A536 PolarHBondContact ND2-N 3.21Å; I505-A536 HydrophobicContact CD1-CB 4.1Å; V532-A536 PolarHBondContact O-N 2.98Å; V533-A536 CarbonylContact O-C 3.58Å; V533-A536 WeakPolarHBondContact O-CA 3.23Å; V533-A536 WeakPolarHBondContact O-CB 3.42Å; V533-A536 PolarHBondContact O-N 3.42Å; Q534-A536 PolarHBondContact O-N 3.4Å; A536-A540 WeakPolarHBondContact O-CB 3.44Å; A536-A540 PolarHBondContact O-N 2.88Å |
| 537 | L | 89.1 | Confident | 86.8 | Confident | 7 Ų | 7 | 53.2 Ų | 53.2 | 4% | 0.037 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.6 | -39.7 | 176.4 | -70.2 | 175.8 | 0 | 0 | 0 | 112.5 | I505 L518 A521 T522 V533 Q534 A540 S541 | I505-L537 HydrophobicContact CD1-CD2 3.7Å; I505-L537 HydrophobicContact CD1-CG 4.05Å; I505-L537 HydrophobicContact CG1-CD2 4.02Å; L518-L537 HydrophobicContact CD1-CD2 4.08Å; L518-L537 HydrophobicContact CD2-CD2 3.64Å; L518-L537 HydrophobicContact CG-CD2 4.47Å; A521-L537 HydrophobicContact CB-CD1 3.9Å; A521-L537 HydrophobicContact CB-CD2 4.45Å; T522-L537 HydrophobicContact CG2-CD1 3.97Å; V533-L537 HydrophobicContact CG1-CD1 4.14Å; V533-L537 HydrophobicContact CG1-CG 4.29Å; V533-L537 WeakPolarHBondContact O-CG 3.33Å; V533-L537 PolarHBondContact O-N 3.17Å; Q534-L537 CarbonylContact O-C 3.59Å; Q534-L537 WeakPolarHBondContact O-CA 3.31Å; Q534-L537 WeakPolarHBondContact O-CB 3.43Å; Q534-L537 PolarHBondContact O-N 2.86Å; L537-A540 WeakPolarHBondContact O-CB 3.43Å; L537-A540 PolarHBondContact O-N 3.24Å; L537-S541 WeakPolarHBondContact O-CB 3.42Å; L537-S541 PolarHBondContact O-N 3.49Å; L537-S541 PolarHBondContact O-OG 3.47Å |
| 538 | D | 87.7 | Confident | 87.6 | Confident | 76 Ų | 76 | 50.1 Ų | 50.1 | 41% | 0.406 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.4 | -49.5 | 177.3 | -63.1 | -21.9 | 0 | 0 | 0 | 109.7 | Q534 A540 S541 E542 | Q534-D538 PolarHBondContact NE2-OD1 3.05Å; Q534-D538 VanDerWaalsContact O-CG 3.24Å; Q534-D538 PolarHBondContact O-N 2.93Å; D538-A540 VanDerWaalsContact C-N 3.32Å; D538-A540 PolarHBondContact O-N 3.48Å; D538-S541 WeakPolarHBondContact O-CB 3.35Å; D538-S541 PolarHBondContact O-N 2.85Å; D538-E542 PolarHBondContact O-N 2.99Å |
| 539 | K | 87.6 | Confident | 88.3 | Confident | 93 Ų | 93 | 42 Ų | 42 | 40% | 0.404 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.5 | -39.7 | 172.6 | -71.7 | -179.2 | -177.3 | -177.7 | 0 | 112.9 | N472 V535 S541 | N472-K539 PolarHBondContact OD1-NZ 3.1Å; V535-K539 WeakPolarHBondContact O-CG 3.41Å; V535-K539 PolarHBondContact O-N 3.09Å; K539-S541 PolarHBondContact O-N 3.18Å |
| 540 | A | 88.1 | Confident | 88.4 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 2% | 0.017 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.8 | -27.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I505 L509 L516 A536 L537 D538 R544 | I505-A540 HydrophobicContact CG2-CB 4.25Å; L509-A540 HydrophobicContact CD1-CB 3.94Å; L509-A540 HydrophobicContact CD2-CB 3.91Å; L509-A540 HydrophobicContact CG-CB 4.3Å; L516-A540 HydrophobicContact CD2-CB 4.1Å; A536-A540 WeakPolarHBondContact O-CB 3.44Å; A536-A540 PolarHBondContact O-N 2.88Å; L537-A540 WeakPolarHBondContact O-CB 3.43Å; L537-A540 PolarHBondContact O-N 3.24Å; D538-A540 VanDerWaalsContact C-N 3.32Å; D538-A540 PolarHBondContact O-N 3.48Å; A540-R544 WeakPolarHBondContact O-CD 3.4Å; A540-R544 PolarHBondContact O-NH1 3.45Å |
| 541 | S | 88.8 | Confident | 88.1 | Confident | 22 Ų | 22 | 45.5 Ų | 45.5 | 15% | 0.154 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -79.5 | -24.8 | -175.8 | -63.3 | 0 | 0 | 0 | 0 | 113.2 | L537 D538 K539 G543 R544 | L537-S541 WeakPolarHBondContact O-CB 3.42Å; L537-S541 PolarHBondContact O-N 3.49Å; L537-S541 PolarHBondContact O-OG 3.47Å; D538-S541 WeakPolarHBondContact O-CB 3.35Å; D538-S541 PolarHBondContact O-N 2.85Å; K539-S541 PolarHBondContact O-N 3.18Å; S541-G543 PolarHBondContact O-N 3Å; S541-R544 PolarHBondContact O-N 3.22Å |
| 542 | E | 86.9 | Confident | 87.7 | Confident | 143 Ų | 143 | 40.1 Ų | 40.1 | 67% | 0.668 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56 | 125.3 | -178.6 | -69.4 | 176.4 | -164.2 | 0 | 0 | 112.5 | D538 R544 | D538-E542 PolarHBondContact O-N 2.99Å; E542-R544 PolarHBondContact O-N 3.31Å; E542-R544 PolarHBondContact O-NH1 3.38Å |
| 543 | G | 86.1 | Confident | 87.5 | Confident | 80 Ų | 80 | 37.6 Ų | 37.6 | 83% | 0.825 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | 15.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | S541 | S541-G543 PolarHBondContact O-N 3Š|
| 544 | R | 92.2 | Very high | 87 | Confident | 46 Ų | 46 | 41.7 Ų | 41.7 | 17% | 0.174 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -126.1 | 155.6 | -179.3 | -61 | 176.8 | -177.1 | 74.5 | 8.8 | 110.9 | P513 A540 S541 E542 V546 | P513-R544 WeakPolarHBondContact O-CD 3.26Å; P513-R544 WeakPolarHBondContact O-CG 3.37Å; P513-R544 PolarHBondContact O-NE 3.42Å; A540-R544 WeakPolarHBondContact O-CD 3.4Å; A540-R544 PolarHBondContact O-NH1 3.45Å; S541-R544 PolarHBondContact O-N 3.22Å; E542-R544 PolarHBondContact O-N 3.31Å; E542-R544 PolarHBondContact O-NH1 3.38Å; R544-V546 HydrophobicContact CB-CG2 4.33Å |
| 545 | T | 94.3 | Very high | 86.4 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 126.8 | 163 | -55.9 | 0 | 0 | 0 | 0 | 108 | G354 I381 S383 G384 K514 L515 L516 | G354-T545 WeakPolarHBondContact O-CG2 3.21Å; G354-T545 PolarHBondContact O-OG1 2.91Å; I381-T545 HydrophobicContact CG2-CG2 3.42Å; I381-T545 VanDerWaalsContact CG2-CG2 3.42Å; S383-T545 WeakPolarHBondContact CA-OG1 3.27Å; G384-T545 PolarHBondContact N-OG1 2.95Å; K514-T545 PolarHBondContact O-N 3.32Å; L515-T545 CarbonylContact C-O 3.46Å; L515-T545 WeakPolarHBondContact CA-O 3.47Å; L515-T545 HydrophobicContact CD1-CG2 3.89Å; L516-T545 PolarHBondContact N-O 3.45Å |
| 546 | V | 94 | Very high | 86.3 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 130.1 | -174.9 | -173.6 | 0 | 0 | 0 | 0 | 110.6 | Q385 T386 I387 L516 L518 R544 | Q385-V546 PolarHBondContact O-N 3.35Å; T386-V546 CarbonylContact C-O 3.59Å; T386-V546 WeakPolarHBondContact CA-O 3.18Å; T386-V546 HydrophobicContact CG2-CB 4.11Å; T386-V546 HydrophobicContact CG2-CG1 4.37Å; I387-V546 PolarHBondContact N-O 3Å; L516-V546 HydrophobicContact CB-CG2 4.24Å; L516-V546 HydrophobicContact CD2-CG2 4.46Å; L516-V546 WeakPolarHBondContact O-CA 3.47Å; L518-V546 HydrophobicContact CD1-CG1 3.88Å; L518-V546 HydrophobicContact CG-CG1 4.25Å; R544-V546 HydrophobicContact CB-CG2 4.33Å |
| 547 | V | 94.2 | Very high | 86.2 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 109.8 | 169.6 | -176.8 | 0 | 0 | 0 | 0 | 107.9 | I381 I387 L389 L404 L515 L516 L517 L518 | I381-V547 HydrophobicContact CD1-CG2 3.69Å; I387-V547 WeakPolarHBondContact O-CA 3.39Å; L389-V547 HydrophobicContact CD1-CG1 3.81Å; L389-V547 HydrophobicContact CG-CG1 4.3Å; L404-V547 HydrophobicContact CD1-CB 4.38Å; L404-V547 HydrophobicContact CD1-CG1 4.34Å; L404-V547 HydrophobicContact CD1-CG2 4.01Å; L515-V547 HydrophobicContact CD1-CG2 4.27Å; L516-V547 PolarHBondContact O-N 2.73Å; L517-V547 HydrophobicContact CD2-CB 3.92Å; L517-V547 HydrophobicContact CD2-CG2 4.18Å; L518-V547 PolarHBondContact N-O 3.2Å |
| 548 | V | 92.9 | Very high | 86 | Confident | 20 Ų | 20 | 51.8 Ų | 51.8 | 12% | 0.121 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 124 | -178.3 | 59.3 | 0 | 0 | 0 | 0 | 111 | I387 A388 L389 L518 A550 V556 | I387-V548 WeakPolarHBondContact O-CG1 3.44Å; I387-V548 PolarHBondContact O-N 3.48Å; A388-V548 CarbonylContact C-O 3.58Å; A388-V548 WeakPolarHBondContact CA-O 3.32Å; A388-V548 HydrophobicContact CB-CG1 3.82Å; L389-V548 PolarHBondContact N-O 2.73Å; L518-V548 HydrophobicContact CB-CB 4.2Å; L518-V548 HydrophobicContact CB-CG2 4.08Å; L518-V548 HydrophobicContact CD1-CB 4.42Å; L518-V548 HydrophobicContact CD1-CG2 4.43Å; V548-A550 HydrophobicContact CG2-CB 4.45Å; V548-V556 HydrophobicContact CG1-CG1 4.29Å |
| 549 | V | 91.4 | Very high | 86 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 118.6 | 164.8 | 175.4 | 0 | 0 | 0 | 0 | 107 | L389 K397 I401 L518 E520 | L389-V549 HydrophobicContact CB-CG2 4.02Å; L389-V549 HydrophobicContact CD1-CG2 3.85Å; L389-V549 HydrophobicContact CG-CG2 4.48Å; K397-V549 HydrophobicContact CB-CG1 3.63Å; K397-V549 HydrophobicContact CB-CG2 4.05Å; K397-V549 HydrophobicContact CD-CG1 4.13Å; I401-V549 HydrophobicContact CD1-CB 4.05Å; I401-V549 HydrophobicContact CD1-CG2 3.4Å; I401-V549 HydrophobicContact CG1-CG2 3.95Å; L518-V549 PolarHBondContact O-N 3.01Å; E520-V549 VanDerWaalsContact CA-O 3.29Å; E520-V549 WeakPolarHBondContact CA-O 3.46Å; E520-V549 HydrophobicContact CG-CG1 3.79Å; E520-V549 PolarHBondContact N-O 2.89Å |
| 550 | A | 82.8 | Confident | 86.1 | Confident | 5 Ų | 5 | 48.7 Ų | 48.7 | 4% | 0.041 | 26% | 0.259 | C | S | . | . | trans | -123.1 | 140.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V548 T555 V556 | V548-A550 HydrophobicContact CG2-CB 4.45Å; A550-T555 VanDerWaalsContact CB-OG1 3.3Å; A550-T555 WeakPolarHBondContact CB-OG1 3.48Å; A550-V556 HydrophobicContact CB-CG1 3.36Å | ||
| 551 | H | 77.4 | Confident | 86.3 | Confident | 104 Ų | 104 | 50.3 Ų | 50.3 | 48% | 0.481 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -85.5 | -38 | 165.6 | -174.3 | -92 | 0 | 0 | 0 | 111.2 | Q593 | H551-Q593 PolarHBondContact O-NE2 3.11Š|
| 552 | R | 74.3 | Confident | 86.5 | Confident | 74 Ų | 74 | 49.2 Ų | 49.2 | 28% | 0.279 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -91.3 | 125.2 | -179.9 | -64.5 | -179.6 | -177.6 | -152.7 | 17.7 | 110.1 | E530 T554 T555 | E530-R552 VanDerWaalsContact CD-CZ 3.4Å; E530-R552 WeakPolarHBondContact OE1-CD 3.44Å; E530-R552 IonicContact OE1-CZ 3.98Å; E530-R552 IonicContact OE1-NE 3.86Å; E530-R552 PolarHBondContact OE1-NE 3.47Å; E530-R552 IonicContact OE1-NH1 3.5Å; E530-R552 PolarHBondContact OE1-NH1 3.16Å; E530-R552 IonicContact OE2-CZ 3.9Å; E530-R552 IonicContact OE2-NE 3.1Å; E530-R552 IonicContact OE2-NH1 3.53Å; E530-R552 PolarHBondContact OE2-NH1 3.25Å; E530-R552 IonicContact OE2-NH2 3.07Å; E530-R552 PolarHBondContact OE2-NH2 3.18Å; E530-R552 VanDerWaalsContact OE2-NH2 3.17Å; R552-T554 PolarHBondContact O-N 3.38Å; R552-T555 PolarHBondContact O-N 3.05Å; R552-T555 PolarHBondContact O-OG1 3.24Å |
| 553 | L | 80.1 | Confident | 86.8 | Confident | 6 Ų | 6 | 42.7 Ų | 42.7 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -72.2 | -19.1 | -175.1 | -66.7 | 169.5 | 0 | 0 | 0 | 113.3 | V390 T555 V556 Y586 M589 L590 Q593 | V390-L553 HydrophobicContact CB-CD2 4.29Å; V390-L553 HydrophobicContact CG1-CD2 3.94Å; L553-T555 VanDerWaalsContact C-N 3.27Å; L553-T555 PolarHBondContact O-N 3Å; L553-V556 HydrophobicContact CD2-CG2 4.29Å; L553-V556 WeakPolarHBondContact O-CG2 3.42Å; L553-V556 PolarHBondContact O-N 3.43Å; L553-Y586 HydrophobicContact CD2-CD2 4.19Å; L553-Y586 HydrophobicContact CD2-CE2 3.67Å; L553-M589 VanDerWaalsContact CD1-C 3.44Å; L553-M589 HydrophobicContact CD1-CB 3.76Å; L553-L590 HydrophobicContact CB-CD1 3.98Å; L553-L590 VanDerWaalsContact CD1-CA 3.47Å; L553-L590 HydrophobicContact CD1-CB 4.02Å; L553-L590 HydrophobicContact CD1-CD1 3.97Å; L553-Q593 HydrophobicContact CD1-CG 4.46Å |
| 554 | T | 77.2 | Confident | 87 | Confident | 85 Ų | 85 | 38.9 Ų | 38.9 | 52% | 0.521 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -60.8 | -34.3 | 175.8 | 50.4 | 0 | 0 | 0 | 0 | 112.9 | R552 V556 I595 | R552-T554 PolarHBondContact O-N 3.38Å; T554-V556 VanDerWaalsContact C-N 3.29Å; T554-V556 PolarHBondContact O-N 3.44Å; T554-I595 HydrophobicContact CG2-CD1 3.61Å |
| 555 | T | 75.2 | Confident | 87 | Confident | 26 Ų | 26 | 36.7 Ų | 36.7 | 16% | 0.16 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -78.6 | -12.9 | -176.4 | 64.5 | 0 | 0 | 0 | 0 | 113.3 | Q534 A550 R552 L553 | Q534-T555 VanDerWaalsContact OE1-CG2 3.23Å; A550-T555 VanDerWaalsContact CB-OG1 3.3Å; A550-T555 WeakPolarHBondContact CB-OG1 3.48Å; R552-T555 PolarHBondContact O-N 3.05Å; R552-T555 PolarHBondContact O-OG1 3.24Å; L553-T555 VanDerWaalsContact C-N 3.27Å; L553-T555 PolarHBondContact O-N 3Å |
| 556 | V | 84.8 | Confident | 86.7 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -106.3 | -1.4 | -178.1 | -61.7 | 0 | 0 | 0 | 0 | 113.4 | A388 V390 V548 A550 L553 T554 N558 A559 | A388-V556 HydrophobicContact CB-CB 3.52Å; A388-V556 HydrophobicContact CB-CG1 3.45Å; A388-V556 VanDerWaalsContact CB-CG1 3.45Å; V390-V556 HydrophobicContact CG1-CG1 4.29Å; V390-V556 HydrophobicContact CG1-CG2 4.01Å; V548-V556 HydrophobicContact CG1-CG1 4.29Å; A550-V556 HydrophobicContact CB-CG1 3.36Å; L553-V556 HydrophobicContact CD2-CG2 4.29Å; L553-V556 WeakPolarHBondContact O-CG2 3.42Å; L553-V556 PolarHBondContact O-N 3.43Å; T554-V556 VanDerWaalsContact C-N 3.29Å; T554-V556 PolarHBondContact O-N 3.44Å; V556-N558 PolarHBondContact O-N 3.37Å; V556-A559 VanDerWaalsContact O-CB 3.22Å; V556-A559 WeakPolarHBondContact O-CB 3.37Å; V556-A559 PolarHBondContact O-N 2.89Å |
| 557 | R | 84.6 | Confident | 86.2 | Confident | 158 Ų | 158 | 45.4 Ų | 45.4 | 60% | 0.596 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -38.2 | -177.7 | -173 | 177.4 | -176.1 | -175.1 | 0 | 112.7 | A559 H576 | R557-A559 VanDerWaalsContact C-N 3.33Å; R557-H576 HydrophobicContact CG-CB 4.44Å |
| 558 | N | 84.4 | Confident | 85.6 | Confident | 143 Ų | 143 | 45.3 Ų | 45.3 | 77% | 0.765 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 7.8 | -178 | -60.8 | -16.6 | 0 | 0 | 0 | 113.3 | V556 | V556-N558 PolarHBondContact O-N 3.37Š|
| 559 | A | 88.2 | Confident | 85.3 | Confident | 10 Ų | 10 | 47.2 Ų | 47.2 | 8% | 0.083 | 23% | 0.232 | C | C | . | . | trans | -70.2 | 140.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | T386 A388 V556 R557 L561 I562 | T386-A559 HydrophobicContact CG2-CB 4.22Å; A388-A559 HydrophobicContact CB-CB 3.65Å; V556-A559 VanDerWaalsContact O-CB 3.22Å; V556-A559 WeakPolarHBondContact O-CB 3.37Å; V556-A559 PolarHBondContact O-N 2.89Å; R557-A559 VanDerWaalsContact C-N 3.33Å; A559-L561 PolarHBondContact O-N 2.84Å; A559-I562 HydrophobicContact CB-CG1 4.16Å | ||
| 560 | N | 90.5 | Very high | 85.2 | Confident | 93 Ų | 93 | 49.3 Ų | 49.3 | 50% | 0.497 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -66.5 | -28.7 | 177.4 | -57.6 | 108.3 | 0 | 0 | 0 | 112.2 | Q385 T386 | Q385-N560 HydrophobicContact CG-CB 3.77Å; T386-N560 PolarHBondContact N-OD1 3.22Å; T386-N560 PolarHBondContact O-N 3.33Å |
| 561 | L | 92.5 | Very high | 85.6 | Confident | 36 Ų | 36 | 56.2 Ų | 56.2 | 19% | 0.188 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 128.1 | 177.6 | -178.6 | 64.6 | 0 | 0 | 0 | 109.7 | L379 T386 I387 A388 A559 I563 | L379-L561 HydrophobicContact CD1-CD2 4.48Å; T386-L561 PolarHBondContact O-N 2.98Å; I387-L561 CarbonylContact C-O 3.56Å; I387-L561 VanDerWaalsContact CA-O 3.32Å; I387-L561 WeakPolarHBondContact CA-O 3.35Å; I387-L561 HydrophobicContact CD1-CD2 4.28Å; I387-L561 HydrophobicContact CG1-CB 4.36Å; A388-L561 PolarHBondContact N-O 3.44Å; A559-L561 PolarHBondContact O-N 2.84Å; L561-I563 HydrophobicContact CD1-CD1 4.35Å; L561-I563 HydrophobicContact CD2-CD1 3.92Å; L561-I563 HydrophobicContact CG-CD1 3.89Å; L561-I563 HydrophobicContact CG-CG1 4.4Å |
| 562 | I | 92.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 129.7 | 175.2 | -57 | 175 | 0 | 0 | 0 | 107.7 | A388 V390 A559 S573 G574 H576 L579 Y586 | A388-I562 HydrophobicContact CB-CG1 4.17Å; A388-I562 CarbonylContact O-C 3.57Å; A388-I562 WeakPolarHBondContact O-CA 3.39Å; V390-I562 HydrophobicContact CG1-CG2 4.35Å; V390-I562 HydrophobicContact CG2-CG2 3.56Å; A559-I562 HydrophobicContact CB-CG1 4.16Å; I562-S573 VanDerWaalsContact O-CA 3.28Å; I562-S573 WeakPolarHBondContact O-CA 3.36Å; I562-G574 WeakPolarHBondContact CB-O 3.46Å; I562-G574 PolarHBondContact N-O 3.09Å; I562-G574 PolarHBondContact O-N 2.74Å; I562-G574 VanDerWaalsContact O-N 3.09Å; I562-H576 HydrophobicContact CD1-CB 4.07Å; I562-L579 HydrophobicContact CB-CD1 3.56Å; I562-L579 HydrophobicContact CD1-CD1 4.4Å; I562-L579 HydrophobicContact CG2-CD1 3.55Å; I562-Y586 HydrophobicContact CD1-CE2 4Å; I562-Y586 HydrophobicContact CG2-CD2 4.07Å; I562-Y586 HydrophobicContact CG2-CE2 3.84Å |
| 563 | I | 92.5 | Very high | 87 | Confident | 5 Ų | 5 | 52.1 Ų | 52.1 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 119.3 | 178.4 | -57.4 | -61.8 | 0 | 0 | 0 | 108.5 | L379 I387 A388 L389 V390 L561 L565 V570 | L379-I563 HydrophobicContact CD1-CD1 3.72Å; L379-I563 HydrophobicContact CD1-CG1 3.86Å; L379-I563 HydrophobicContact CD2-CG1 4.38Å; I387-I563 HydrophobicContact CG2-CG1 4.05Å; A388-I563 PolarHBondContact O-N 3.01Å; L389-I563 HydrophobicContact CD2-CB 3.97Å; L389-I563 HydrophobicContact CD2-CG1 4.45Å; L389-I563 HydrophobicContact CD2-CG2 4.27Å; V390-I563 PolarHBondContact N-O 2.73Å; L561-I563 HydrophobicContact CD1-CD1 4.35Å; L561-I563 HydrophobicContact CD2-CD1 3.92Å; L561-I563 HydrophobicContact CG-CD1 3.89Å; L561-I563 HydrophobicContact CG-CG1 4.4Å; I563-L565 HydrophobicContact CG2-CG 4.47Å; I563-V570 HydrophobicContact CG2-CB 4.43Å; I563-V570 HydrophobicContact CG2-CG1 3.87Å; I563-V570 HydrophobicContact CG2-CG2 3.8Å |
| 564 | V | 91.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 115 | -179.8 | -169.6 | 0 | 0 | 0 | 0 | 109.6 | V390 R571 E572 L579 L585 Y586 | V390-V564 HydrophobicContact CG2-CB 4.22Å; V390-V564 HydrophobicContact CG2-CG1 4.38Å; V390-V564 HydrophobicContact CG2-CG2 3.76Å; V390-V564 CarbonylContact O-C 3.57Å; V390-V564 WeakPolarHBondContact O-CA 3.38Å; V564-R571 PolarHBondContact O-N 3.13Å; V564-E572 HydrophobicContact CB-CB 3.95Å; V564-E572 HydrophobicContact CG2-CB 3.77Å; V564-E572 PolarHBondContact N-O 2.62Å; V564-L579 HydrophobicContact CG2-CD1 4.01Å; V564-L585 HydrophobicContact CG1-CB 4.16Å; V564-L585 HydrophobicContact CG1-CD2 3.74Å; V564-L585 HydrophobicContact CG1-CG 4.11Å; V564-Y586 HydrophobicContact CG2-CD2 4.26Å; V564-Y586 HydrophobicContact CG2-CG 4.5Å |
| 565 | L | 90.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 130.3 | -179.8 | -74.3 | 164.8 | 0 | 0 | 0 | 111.5 | F377 L389 V390 G391 P392 S395 K397 I400 I563 V570 | F377-L565 HydrophobicContact CD2-CD2 3.98Å; F377-L565 HydrophobicContact CE2-CD2 3.78Å; L389-L565 HydrophobicContact CD2-CD1 4.47Å; V390-L565 PolarHBondContact O-N 2.78Å; G391-L565 WeakPolarHBondContact CA-O 3.34Å; P392-L565 WeakPolarHBondContact CD-O 3.21Å; S395-L565 WeakPolarHBondContact CB-O 3.4Å; S395-L565 PolarHBondContact OG-O 3.37Å; K397-L565 HydrophobicContact CG-CD1 4.13Å; I400-L565 HydrophobicContact CD1-CD1 3.55Å; I563-L565 HydrophobicContact CG2-CG 4.47Å; L565-V570 HydrophobicContact CD2-CG2 4.12Å |
| 566 | D | 87.9 | Confident | 88.9 | Confident | 31 Ų | 31 | 50.2 Ų | 50.2 | 17% | 0.166 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 125.7 | 170.1 | 175.4 | 41.3 | 0 | 0 | 0 | 109.5 | G568 V569 R571 L585 | D566-G568 PolarHBondContact O-N 3.1Å; D566-V569 PolarHBondContact N-O 3.23Å; D566-V569 PolarHBondContact O-N 2.75Å; D566-R571 HydrophobicContact CB-CG 3.49Å; D566-R571 VanDerWaalsContact CB-CG 3.49Å; D566-R571 IonicContact OD2-CZ 3.21Å; D566-R571 IonicContact OD2-NE 2.9Å; D566-R571 PolarHBondContact OD2-NE 3.2Å; D566-R571 IonicContact OD2-NH2 2.6Å; D566-R571 PolarHBondContact OD2-NH2 2.92Å; D566-R571 VanDerWaalsContact OD2-NH2 3.13Å; D566-L585 HydrophobicContact CB-CD2 4.05Å |
| 567 | K | 84 | Confident | 89.1 | Confident | 154 Ų | 154 | 57.7 Ų | 57.7 | 67% | 0.67 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 36.5 | 178.9 | -63.2 | 171.5 | -173.4 | 177.3 | 0 | 114.1 | ||
| 568 | G | 81.2 | Confident | 89.4 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 7.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | I373 K375 S395 D566 | I373-G568 WeakPolarHBondContact O-CA 3.32Å; K375-G568 PolarHBondContact N-O 3.19Å; S395-G568 WeakPolarHBondContact O-CA 3.39Å; S395-G568 PolarHBondContact O-N 3.38Å; D566-G568 PolarHBondContact O-N 3.1Å |
| 569 | V | 87.4 | Confident | 89.6 | Confident | 59 Ų | 59 | 48 Ų | 48 | 36% | 0.358 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 144.4 | 179.5 | -173.2 | 0 | 0 | 0 | 0 | 109.5 | K375 D566 R571 | K375-V569 HydrophobicContact CB-CG2 4.04Å; D566-V569 PolarHBondContact N-O 3.23Å; D566-V569 PolarHBondContact O-N 2.75Å; V569-R571 PolarHBondContact O-N 3.35Å |
| 570 | V | 89.9 | Confident | 89.6 | Confident | 46 Ų | 46 | 49.1 Ų | 49.1 | 28% | 0.279 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 119.7 | 171.4 | -179.8 | 0 | 0 | 0 | 0 | 109 | F377 I563 L565 | F377-V570 HydrophobicContact CD2-CG2 3.65Å; F377-V570 HydrophobicContact CE2-CG2 3.41Å; F377-V570 VanDerWaalsContact CE2-CG2 3.41Å; I563-V570 HydrophobicContact CG2-CB 4.43Å; I563-V570 HydrophobicContact CG2-CG1 3.87Å; I563-V570 HydrophobicContact CG2-CG2 3.8Å; L565-V570 HydrophobicContact CD2-CG2 4.12Å |
| 571 | R | 89.7 | Confident | 89.5 | Confident | 149 Ų | 149 | 48.7 Ų | 48.7 | 56% | 0.562 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -44.9 | 177.7 | -70.2 | -61.8 | -165.9 | 172.2 | 3.8 | 112.6 | V564 D566 V569 | V564-R571 PolarHBondContact O-N 3.13Å; D566-R571 HydrophobicContact CB-CG 3.49Å; D566-R571 VanDerWaalsContact CB-CG 3.49Å; D566-R571 IonicContact OD2-CZ 3.21Å; D566-R571 IonicContact OD2-NE 2.9Å; D566-R571 PolarHBondContact OD2-NE 3.2Å; D566-R571 IonicContact OD2-NH2 2.6Å; D566-R571 PolarHBondContact OD2-NH2 2.92Å; D566-R571 VanDerWaalsContact OD2-NH2 3.13Å; V569-R571 PolarHBondContact O-N 3.35Å |
| 572 | E | 90.7 | Very high | 89.2 | Confident | 29 Ų | 29 | 52.1 Ų | 52.1 | 14% | 0.136 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 148.1 | -175.9 | -69.5 | 153 | -138.8 | 0 | 0 | 108.8 | V564 L579 G584 L585 Y586 | V564-E572 HydrophobicContact CB-CB 3.95Å; V564-E572 HydrophobicContact CG2-CB 3.77Å; V564-E572 PolarHBondContact N-O 2.62Å; E572-L579 HydrophobicContact CB-CD2 3.66Å; E572-L579 HydrophobicContact CG-CD2 4.49Å; E572-G584 WeakPolarHBondContact OE1-CA 3.48Å; E572-L585 WeakPolarHBondContact OE1-CB 3.41Å; E572-L585 PolarHBondContact OE1-N 3.47Å; E572-L585 PolarHBondContact OE2-N 3.04Å; E572-Y586 PolarHBondContact OE2-N 2.94Å; E572-Y586 VanDerWaalsContact OE2-N 3.08Å |
| 573 | S | 91.4 | Very high | 88.8 | Confident | 64 Ų | 64 | 58.6 Ų | 58.6 | 45% | 0.448 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 132.2 | 174.8 | 61.2 | 0 | 0 | 0 | 0 | 109.5 | I562 | I562-S573 VanDerWaalsContact O-CA 3.28Å; I562-S573 WeakPolarHBondContact O-CA 3.36Å |
| 574 | G | 91 | Very high | 88.5 | Confident | 3 Ų | 3 | 59.3 Ų | 59.3 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.9 | -175.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I562 E578 | I562-G574 WeakPolarHBondContact CB-O 3.46Å; I562-G574 PolarHBondContact N-O 3.09Å; I562-G574 PolarHBondContact O-N 2.74Å; I562-G574 VanDerWaalsContact O-N 3.09Å; G574-E578 WeakPolarHBondContact CA-OE2 3.24Å |
| 575 | T | 91.9 | Very high | 88.3 | Confident | 46 Ų | 46 | 61.9 Ų | 61.9 | 28% | 0.282 | 33% | 0.327 | S | S | . | . | trans | -73.4 | 168.1 | 167.7 | 67.2 | 0 | 0 | 0 | 0 | 110.9 | E577 E578 L579 | T575-E577 VanDerWaalsContact C-N 3.28Å; T575-E577 PolarHBondContact O-N 3.08Å; T575-E578 PolarHBondContact N-OE2 2.78Å; T575-E578 PolarHBondContact O-N 3.03Å; T575-E578 VanDerWaalsContact OG1-CG 3.25Å; T575-E578 WeakPolarHBondContact OG1-CG 3.46Å; T575-E578 PolarHBondContact OG1-N 3.46Å; T575-L579 WeakPolarHBondContact O-CB 3.45Å; T575-L579 WeakPolarHBondContact O-CG 3.34Å; T575-L579 PolarHBondContact O-N 2.66Å | ||
| 576 | H | 89 | Confident | 88.2 | Confident | 28 Ų | 28 | 61.9 Ų | 61.9 | 13% | 0.13 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -53.3 | -47.1 | 174.8 | 175.5 | 72.1 | 0 | 0 | 0 | 112 | R557 I562 L579 V580 Y586 | R557-H576 HydrophobicContact CG-CB 4.44Å; I562-H576 HydrophobicContact CD1-CB 4.07Å; H576-L579 PolarHBondContact O-N 2.91Å; H576-V580 WeakPolarHBondContact O-CB 3.43Å; H576-V580 VanDerWaalsContact O-CG2 3.24Å; H576-V580 WeakPolarHBondContact O-CG2 3.49Å; H576-V580 PolarHBondContact O-N 2.84Å; H576-Y586 AromaticContact ND1-CE1 3.59Å; H576-Y586 AromaticContact ND1-CZ 3.66Å; H576-Y586 PolarHBondContact ND1-OH 3.41Å |
| 577 | E | 89.2 | Confident | 88 | Confident | 158 Ų | 158 | 61 Ų | 61 | 74% | 0.738 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -64.8 | -42.3 | -179.3 | -65 | 171 | -172.1 | 0 | 0 | 111.8 | T575 A581 | T575-E577 VanDerWaalsContact C-N 3.28Å; T575-E577 PolarHBondContact O-N 3.08Å; E577-A581 VanDerWaalsContact O-CB 3.3Å; E577-A581 WeakPolarHBondContact O-CB 3.39Å; E577-A581 PolarHBondContact O-N 3.5Å |
| 578 | E | 91.4 | Very high | 88 | Confident | 98 Ų | 98 | 55.6 Ų | 55.6 | 46% | 0.458 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 177.3 | -72.5 | 165.9 | -173.8 | 0 | 0 | 112.3 | G574 T575 A581 Q582 | G574-E578 WeakPolarHBondContact CA-OE2 3.24Å; T575-E578 PolarHBondContact N-OE2 2.78Å; T575-E578 PolarHBondContact O-N 3.03Å; T575-E578 VanDerWaalsContact OG1-CG 3.25Å; T575-E578 WeakPolarHBondContact OG1-CG 3.46Å; T575-E578 PolarHBondContact OG1-N 3.46Å; E578-A581 PolarHBondContact O-N 2.97Å; E578-Q582 VanDerWaalsContact O-CG 3.23Å; E578-Q582 WeakPolarHBondContact O-CG 3.48Å; E578-Q582 PolarHBondContact O-N 3.22Å |
| 579 | L | 89.3 | Confident | 88.1 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -74 | -34 | -178.1 | -69.4 | -176.2 | 0 | 0 | 0 | 112.9 | I562 V564 E572 T575 H576 Y586 | I562-L579 HydrophobicContact CB-CD1 3.56Å; I562-L579 HydrophobicContact CD1-CD1 4.4Å; I562-L579 HydrophobicContact CG2-CD1 3.55Å; V564-L579 HydrophobicContact CG2-CD1 4.01Å; E572-L579 HydrophobicContact CB-CD2 3.66Å; E572-L579 HydrophobicContact CG-CD2 4.49Å; T575-L579 WeakPolarHBondContact O-CB 3.45Å; T575-L579 WeakPolarHBondContact O-CG 3.34Å; T575-L579 PolarHBondContact O-N 2.66Å; H576-L579 PolarHBondContact O-N 2.91Å; L579-Y586 HydrophobicContact CB-CD1 3.41Å; L579-Y586 VanDerWaalsContact CB-CD1 3.41Å; L579-Y586 HydrophobicContact CB-CE1 4.07Å; L579-Y586 HydrophobicContact CB-CG 3.76Å; L579-Y586 HydrophobicContact CD1-CD1 4.17Å; L579-Y586 HydrophobicContact CD1-CD2 3.97Å; L579-Y586 HydrophobicContact CD1-CE2 4.44Å; L579-Y586 HydrophobicContact CD1-CG 3.82Å; L579-Y586 HydrophobicContact CG-CD1 4.46Å; L579-Y586 HydrophobicContact CG-CG 4.43Å |
| 580 | V | 87.6 | Confident | 88 | Confident | 32 Ų | 32 | 54.8 Ų | 54.8 | 19% | 0.194 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.4 | -44.6 | 171.2 | 172.9 | 0 | 0 | 0 | 0 | 109.8 | H576 Q582 N583 Y586 L590 | H576-V580 WeakPolarHBondContact O-CB 3.43Å; H576-V580 VanDerWaalsContact O-CG2 3.24Å; H576-V580 WeakPolarHBondContact O-CG2 3.49Å; H576-V580 PolarHBondContact O-N 2.84Å; V580-Q582 VanDerWaalsContact C-N 3.31Å; V580-Q582 PolarHBondContact O-N 3.24Å; V580-N583 PolarHBondContact O-N 3.1Å; V580-N583 VanDerWaalsContact O-N 3.09Å; V580-Y586 HydrophobicContact CG2-CD1 4.28Å; V580-Y586 HydrophobicContact CG2-CE1 3.97Å; V580-L590 HydrophobicContact CG2-CD2 3.91Å |
| 581 | A | 87.3 | Confident | 87.4 | Confident | 85 Ų | 85 | 55.6 Ų | 55.6 | 70% | 0.702 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -64.3 | -31.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E577 E578 N583 | E577-A581 VanDerWaalsContact O-CB 3.3Å; E577-A581 WeakPolarHBondContact O-CB 3.39Å; E577-A581 PolarHBondContact O-N 3.5Å; E578-A581 PolarHBondContact O-N 2.97Å; A581-N583 PolarHBondContact O-N 2.81Å |
| 582 | Q | 86.5 | Confident | 86.6 | Confident | 107 Ų | 107 | 55 Ų | 55 | 50% | 0.5 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -16.4 | 175.3 | -76.4 | 171.9 | 32.7 | 0 | 0 | 113.4 | E578 V580 G584 | E578-Q582 VanDerWaalsContact O-CG 3.23Å; E578-Q582 WeakPolarHBondContact O-CG 3.48Å; E578-Q582 PolarHBondContact O-N 3.22Å; V580-Q582 VanDerWaalsContact C-N 3.31Å; V580-Q582 PolarHBondContact O-N 3.24Å; Q582-G584 PolarHBondContact O-N 2.84Å; Q582-G584 VanDerWaalsContact O-N 3.16Å |
| 583 | N | 84.3 | Confident | 85.6 | Confident | 137 Ų | 137 | 57.2 Ų | 57.2 | 73% | 0.733 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 37.2 | -178.7 | -158.7 | 26.2 | 0 | 0 | 0 | 113.4 | V580 A581 | V580-N583 PolarHBondContact O-N 3.1Å; V580-N583 VanDerWaalsContact O-N 3.09Å; A581-N583 PolarHBondContact O-N 2.81Å |
| 584 | G | 87.2 | Confident | 83.9 | Confident | 20 Ų | 20 | 57.3 Ų | 57.3 | 21% | 0.206 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -88.6 | -156.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | E572 Q582 Y586 A587 A588 | E572-G584 WeakPolarHBondContact OE1-CA 3.48Å; Q582-G584 PolarHBondContact O-N 2.84Å; Q582-G584 VanDerWaalsContact O-N 3.16Å; G584-Y586 PolarHBondContact O-N 3.37Å; G584-A587 PolarHBondContact O-N 3.46Å; G584-A588 PolarHBondContact O-N 2.72Å |
| 585 | L | 86.5 | Confident | 82.1 | Confident | 54 Ų | 54 | 60.3 Ų | 60.3 | 28% | 0.283 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.2 | -36.1 | 174.9 | -172.6 | 64.9 | 0 | 0 | 0 | 111.7 | V564 D566 E572 A588 M589 | V564-L585 HydrophobicContact CG1-CB 4.16Å; V564-L585 HydrophobicContact CG1-CD2 3.74Å; V564-L585 HydrophobicContact CG1-CG 4.11Å; D566-L585 HydrophobicContact CB-CD2 4.05Å; E572-L585 WeakPolarHBondContact OE1-CB 3.41Å; E572-L585 PolarHBondContact OE1-N 3.47Å; E572-L585 PolarHBondContact OE2-N 3.04Å; L585-A588 PolarHBondContact O-N 2.86Å; L585-M589 HydrophobicContact CD1-CE 3.93Å; L585-M589 HydrophobicContact CD2-CE 3.82Å; L585-M589 HydrophobicContact CG-CE 3.63Å; L585-M589 HydrophobicContact CG-SD 4.46Å; L585-M589 VanDerWaalsContact O-CG 3.25Å; L585-M589 WeakPolarHBondContact O-CG 3.4Å; L585-M589 PolarHBondContact O-N 3.47Å |
| 586 | Y | 88.1 | Confident | 79.5 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.6 | -50.5 | 174.6 | -177.2 | -100.6 | 0 | 0 | 0 | 112.3 | V390 L553 I562 V564 E572 H576 L579 V580 G584 A588 M589 L590 | V390-Y586 HydrophobicContact CG2-CD2 4Å; V390-Y586 HydrophobicContact CG2-CE2 4.34Å; L553-Y586 HydrophobicContact CD2-CD2 4.19Å; L553-Y586 HydrophobicContact CD2-CE2 3.67Å; I562-Y586 HydrophobicContact CD1-CE2 4Å; I562-Y586 HydrophobicContact CG2-CD2 4.07Å; I562-Y586 HydrophobicContact CG2-CE2 3.84Å; V564-Y586 HydrophobicContact CG2-CD2 4.26Å; V564-Y586 HydrophobicContact CG2-CG 4.5Å; E572-Y586 PolarHBondContact OE2-N 2.94Å; E572-Y586 VanDerWaalsContact OE2-N 3.08Å; H576-Y586 AromaticContact ND1-CE1 3.59Å; H576-Y586 AromaticContact ND1-CZ 3.66Å; H576-Y586 PolarHBondContact ND1-OH 3.41Å; L579-Y586 HydrophobicContact CB-CD1 3.41Å; L579-Y586 VanDerWaalsContact CB-CD1 3.41Å; L579-Y586 HydrophobicContact CB-CE1 4.07Å; L579-Y586 HydrophobicContact CB-CG 3.76Å; L579-Y586 HydrophobicContact CD1-CD1 4.17Å; L579-Y586 HydrophobicContact CD1-CD2 3.97Å; L579-Y586 HydrophobicContact CD1-CE2 4.44Å; L579-Y586 HydrophobicContact CD1-CG 3.82Å; L579-Y586 HydrophobicContact CG-CD1 4.46Å; L579-Y586 HydrophobicContact CG-CG 4.43Å; V580-Y586 HydrophobicContact CG2-CD1 4.28Å; V580-Y586 HydrophobicContact CG2-CE1 3.97Å; G584-Y586 PolarHBondContact O-N 3.37Å; Y586-A588 VanDerWaalsContact C-N 3.3Å; Y586-A588 PolarHBondContact O-N 3.25Å; Y586-M589 PolarHBondContact O-N 3.07Å; Y586-M589 VanDerWaalsContact O-N 3.12Å; Y586-L590 PolarHBondContact O-N 2.77Å |
| 587 | A | 85.4 | Confident | 77.3 | Confident | 12 Ų | 12 | 67.3 Ų | 67.3 | 10% | 0.099 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.3 | -39 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | G584 M589 L590 S591 | G584-A587 PolarHBondContact O-N 3.46Å; A587-M589 PolarHBondContact O-N 3.11Å; A587-L590 WeakPolarHBondContact O-CB 3.44Å; A587-L590 PolarHBondContact O-N 2.81Å; A587-S591 PolarHBondContact O-N 3.17Å; A587-S591 PolarHBondContact O-OG 3.02Å |
| 588 | A | 83.8 | Confident | 74.8 | Confident | 40 Ų | 40 | 68.8 Ų | 68.8 | 33% | 0.331 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.6 | -35.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G584 L585 Y586 S591 N592 | G584-A588 PolarHBondContact O-N 2.72Å; L585-A588 PolarHBondContact O-N 2.86Å; Y586-A588 VanDerWaalsContact C-N 3.3Å; Y586-A588 PolarHBondContact O-N 3.25Å; A588-S591 PolarHBondContact O-OG 2.99Å; A588-N592 WeakPolarHBondContact O-CB 3.39Å; A588-N592 PolarHBondContact O-N 2.84Å; A588-N592 VanDerWaalsContact O-N 3.14Å; A588-N592 PolarHBondContact O-ND2 3.35Å |
| 589 | M | 83.7 | Confident | 72 | Confident | 28 Ų | 28 | 70 Ų | 70 | 14% | 0.138 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -70 | -35.7 | 172.9 | -70.9 | 175.5 | -179.3 | 0 | 0 | 111.8 | P392 L553 L585 Y586 A587 N592 Q593 | P392-M589 HydrophobicContact CG-CE 3.6Å; L553-M589 VanDerWaalsContact CD1-C 3.44Å; L553-M589 HydrophobicContact CD1-CB 3.76Å; L585-M589 HydrophobicContact CD1-CE 3.93Å; L585-M589 HydrophobicContact CD2-CE 3.82Å; L585-M589 HydrophobicContact CG-CE 3.63Å; L585-M589 HydrophobicContact CG-SD 4.46Å; L585-M589 VanDerWaalsContact O-CG 3.25Å; L585-M589 WeakPolarHBondContact O-CG 3.4Å; L585-M589 PolarHBondContact O-N 3.47Å; Y586-M589 PolarHBondContact O-N 3.07Å; Y586-M589 VanDerWaalsContact O-N 3.12Å; A587-M589 PolarHBondContact O-N 3.11Å; M589-N592 PolarHBondContact O-N 2.93Å; M589-Q593 WeakPolarHBondContact O-CG 3.47Å; M589-Q593 PolarHBondContact O-N 3.1Å |
| 590 | L | 83.3 | Confident | 69.4 | Low | 15 Ų | 15 | 74 Ų | 74 | 8% | 0.079 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -65.4 | -44.2 | 177.9 | -167.5 | 70.4 | 0 | 0 | 0 | 111.5 | L553 V580 Y586 A587 Q593 I595 | L553-L590 HydrophobicContact CB-CD1 3.98Å; L553-L590 VanDerWaalsContact CD1-CA 3.47Å; L553-L590 HydrophobicContact CD1-CB 4.02Å; L553-L590 HydrophobicContact CD1-CD1 3.97Å; V580-L590 HydrophobicContact CG2-CD2 3.91Å; Y586-L590 PolarHBondContact O-N 2.77Å; A587-L590 WeakPolarHBondContact O-CB 3.44Å; A587-L590 PolarHBondContact O-N 2.81Å; L590-Q593 PolarHBondContact O-N 3.44Å; L590-I595 HydrophobicContact CD1-CB 3.98Å; L590-I595 HydrophobicContact CD1-CD1 3.95Å; L590-I595 HydrophobicContact CD1-CG2 4.14Å; L590-I595 HydrophobicContact CG-CB 4.22Å; L590-I595 HydrophobicContact CG-CG2 4.5Å; L590-I595 PolarHBondContact O-N 2.93Å |
| 591 | S | 77.7 | Confident | 66.7 | Low | 63 Ų | 63 | 79.9 Ų | 79.9 | 44% | 0.441 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.9 | -40.3 | 175.4 | 63.6 | 0 | 0 | 0 | 0 | 112.1 | A587 A588 Q593 G594 | A587-S591 PolarHBondContact O-N 3.17Å; A587-S591 PolarHBondContact O-OG 3.02Å; A588-S591 PolarHBondContact O-OG 2.99Å; S591-Q593 VanDerWaalsContact C-N 3.27Å; S591-Q593 PolarHBondContact O-N 2.96Å; S591-G594 PolarHBondContact O-N 3.19Å; S591-G594 VanDerWaalsContact O-N 3.12Å |
| 592 | N | 74 | Confident | 64 | Low | 137 Ų | 137 | 84.4 Ų | 84.4 | 73% | 0.733 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67 | -24 | 176.1 | -72.8 | -22.4 | 0 | 0 | 0 | 113.7 | A588 M589 G594 | A588-N592 WeakPolarHBondContact O-CB 3.39Å; A588-N592 PolarHBondContact O-N 2.84Å; A588-N592 VanDerWaalsContact O-N 3.14Å; A588-N592 PolarHBondContact O-ND2 3.35Å; M589-N592 PolarHBondContact O-N 2.93Å; N592-G594 VanDerWaalsContact C-N 3.25Å; N592-G594 PolarHBondContact O-N 3.37Å |
| 593 | Q | 69.5 | Low | 61.1 | Low | 74 Ų | 74 | 86.7 Ų | 86.7 | 35% | 0.346 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 8.7 | 174.1 | -72 | -171.3 | 5 | 0 | 0 | 113.2 | H551 L553 M589 L590 S591 I595 | H551-Q593 PolarHBondContact O-NE2 3.11Å; L553-Q593 HydrophobicContact CD1-CG 4.46Å; M589-Q593 WeakPolarHBondContact O-CG 3.47Å; M589-Q593 PolarHBondContact O-N 3.1Å; L590-Q593 PolarHBondContact O-N 3.44Å; S591-Q593 VanDerWaalsContact C-N 3.27Å; S591-Q593 PolarHBondContact O-N 2.96Å; Q593-I595 HydrophobicContact CB-CD1 4.27Å; Q593-I595 HydrophobicContact CB-CG1 4.5Å; Q593-I595 PolarHBondContact O-N 3.27Å |
| 594 | G | 56.1 | Low | 58.4 | Low | 66 Ų | 66 | 87.4 Ų | 87.4 | 68% | 0.68 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74 | 10.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S591 N592 S596 | S591-G594 PolarHBondContact O-N 3.19Å; S591-G594 VanDerWaalsContact O-N 3.12Å; N592-G594 VanDerWaalsContact C-N 3.25Å; N592-G594 PolarHBondContact O-N 3.37Å; G594-S596 PolarHBondContact O-N 3.13Å |
| 595 | I | 52.7 | Low | 55.5 | Low | 67 Ų | 67 | 95 Ų | 95 | 34% | 0.344 | 53% | 0.534 | S | S | . | . | trans | -93.4 | 72.1 | 179.3 | -51.8 | 164.1 | 0 | 0 | 0 | 107.5 | T554 L590 Q593 | T554-I595 HydrophobicContact CG2-CD1 3.61Å; L590-I595 HydrophobicContact CD1-CB 3.98Å; L590-I595 HydrophobicContact CD1-CD1 3.95Å; L590-I595 HydrophobicContact CD1-CG2 4.14Å; L590-I595 HydrophobicContact CG-CB 4.22Å; L590-I595 HydrophobicContact CG-CG2 4.5Å; L590-I595 PolarHBondContact O-N 2.93Å; Q593-I595 HydrophobicContact CB-CD1 4.27Å; Q593-I595 HydrophobicContact CB-CG1 4.5Å; Q593-I595 PolarHBondContact O-N 3.27Å | ||
| 596 | S | 36.5 | Very low | 52.9 | Low | 78 Ų | 78 | 99.2 Ų | 99.2 | 55% | 0.545 | 56% | 0.556 | S | S | . | * | trans | -86.8 | 131.2 | 168.1 | -87.2 | 0 | 0 | 0 | 0 | 109.9 | G594 K598 | G594-S596 PolarHBondContact O-N 3.13Å; S596-K598 PolarHBondContact O-N 3.36Å | ||
| 597 | E | 43.6 | Very low | 49.9 | Very low | 142 Ų | 142 | 103.4 Ų | 103.4 | 66% | 0.664 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -57.1 | 5.6 | -175.5 | -66.9 | 179.3 | 146.5 | 0 | 0 | 116.3 | S599 | E597-S599 VanDerWaalsContact C-N 3.26Å; E597-S599 PolarHBondContact O-N 3.25Å |
| 598 | K | 35.4 | Very low | 47.2 | Very low | 190 Ų | 190 | 110.6 Ų | 110.6 | 83% | 0.826 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -77.7 | -0.9 | 179.4 | -72 | -173.3 | 175.9 | -177.6 | 0 | 115.2 | S596 | S596-K598 PolarHBondContact O-N 3.36Š|
| 599 | S | 33.8 | Very low | 44.5 | Very low | 122 Ų | 122 | 118.1 Ų | 118.1 | 85% | 0.853 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -103.3 | 11.8 | 179.5 | -50.7 | 0 | 0 | 0 | 0 | 114.2 | E597 | E597-S599 VanDerWaalsContact C-N 3.26Å; E597-S599 PolarHBondContact O-N 3.25Å |
| 600 | A | 34.7 | Very low | 42 | Very low | 84 Ų | 84 | 125.1 Ų | 125.1 | 69% | 0.694 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -114.7 | 0.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 601 | N | 30.6 | Very low | 39.4 | Very low | 157 Ų | 157 | 129.5 Ų | 129.5 | 84% | 0.84 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -137.6 | 19.2 | -171.9 | -98.4 | -8 | 0 | 0 | 0 | 115.5 | ||
| 602 | E | 29.6 | Very low | 37 | Very low | 180 Ų | 180 | 134.9 Ų | 134.9 | 84% | 0.841 | 73% | 0.734 | S | S | * | * | trans | -114.1 | 117.2 | 168.1 | -75.2 | -177.4 | 174.2 | 0 | 0 | 109.9 | D604 | E602-D604 PolarHBondContact O-N 3.39Š| ||
| 603 | N | 26.6 | Very low | 34.8 | Very low | 154 Ų | 154 | 138.6 Ų | 138.6 | 82% | 0.824 | 74% | 0.738 | S | S | * | * | trans | -58.8 | 108.6 | 172.1 | -60.8 | -41.5 | 0 | 0 | 0 | 109.6 | ||||
| 604 | D | 28.5 | Very low | 32.9 | Very low | 153 Ų | 153 | 141.9 Ų | 141.9 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -113.1 | 76.1 | 148.6 | -97.6 | -20.3 | 0 | 0 | 0 | 107.5 | E602 L606 | E602-D604 PolarHBondContact O-N 3.39Å; D604-L606 PolarHBondContact O-N 3.4Å | ||
| 605 | E | 26.3 | Very low | 31.7 | Very low | 178 Ų | 178 | 147.2 Ų | 147.2 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | -69.1 | 102.3 | 146.3 | -74.7 | -176.1 | 156.9 | 0 | 0 | 107.1 | ||||
| 606 | L | 30.8 | Very low | 30.6 | Very low | 144 Ų | 144 | 152.1 Ų | 152.1 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | -154.8 | 100.9 | 158.2 | -101.4 | 135.3 | 0 | 0 | 0 | 109.3 | D604 | D604-L606 PolarHBondContact O-N 3.4Š| ||
| 607 | S | 25.7 | Very low | 30.2 | Very low | 88 Ų | 88 | 155.1 Ų | 155.1 | 62% | 0.615 | 80% | 0.801 | S | S | * | * | trans | 31.2 | 108.6 | 140.9 | 59.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 608 | D | 29 | Very low | 29.6 | Very low | 162 Ų | 162 | 155.6 Ų | 155.6 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | -170.1 | 71.9 | 129.2 | -85.8 | -19.2 | 0 | 0 | 0 | 108.4 | |||||
| 609 | E | 27.3 | Very low | 29.2 | Very low | 198 Ų | 198 | 151.6 Ų | 151.6 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | trans | -79.2 | 102.9 | 150.5 | -76.8 | -171.1 | 157 | 0 | 0 | 107.2 | ||||
| 610 | E | 29.4 | Very low | 28.8 | Very low | 175 Ų | 175 | 154.1 Ų | 154.1 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -119.5 | 132.6 | 154.6 | -86.2 | -143.6 | 157.9 | 0 | 0 | 110.7 | ||||
| 611 | P | 28.6 | Very low | 28.5 | Very low | 107 Ų | 107 | 157 Ų | 157 | 70% | 0.695 | 81% | 0.808 | S | S | * | * | trans | -80.8 | 124.9 | -177.2 | 31.8 | -30.2 | 0 | 0 | 0 | 110 | R613 | P611-R613 VanDerWaalsContact C-N 3.28Å; P611-R613 PolarHBondContact O-N 3.08Å | ||
| 612 | I | 28.5 | Very low | 28.3 | Very low | 177 Ų | 177 | 154.9 Ų | 154.9 | 91% | 0.908 | 81% | 0.805 | S | S | * | * | trans | -71.5 | 88.5 | 169.1 | -58 | 174.8 | 0 | 0 | 0 | 108.1 | ||||
| 613 | R | 28.5 | Very low | 28.3 | Very low | 215 Ų | 215 | 156 Ų | 156 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | trans | -130.4 | 128.9 | 161.2 | -86.4 | -175.6 | 172.3 | 177.9 | -1.4 | 108.9 | P611 | P611-R613 VanDerWaalsContact C-N 3.28Å; P611-R613 PolarHBondContact O-N 3.08Å | ||
| 614 | N | 27.7 | Very low | 28.4 | Very low | 142 Ų | 142 | 156.6 Ų | 156.6 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | trans | 78 | 84.5 | 161.8 | -53.1 | -13 | 0 | 0 | 0 | 117.9 | ||||
| 615 | L | 32.3 | Very low | 28.5 | Very low | 179 Ų | 179 | 157.9 Ų | 157.9 | 94% | 0.937 | 81% | 0.808 | S | S | * | * | trans | -137.1 | 70.3 | 138.3 | -109.3 | 112.5 | 0 | 0 | 0 | 108.8 | ||||
| 616 | E | 28.3 | Very low | 28.5 | Very low | 170 Ų | 170 | 156 Ų | 156 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | -75 | 146 | 148.5 | -77 | -178.1 | 152 | 0 | 0 | 108.3 | ||||
| 617 | N | 28.3 | Very low | 28.6 | Very low | 141 Ų | 141 | 152 Ų | 152 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | trans | 82.1 | 77.5 | 174.8 | -52.8 | -29 | 0 | 0 | 0 | 116.3 | ||||
| 618 | D | 30.7 | Very low | 28.8 | Very low | 151 Ų | 151 | 151 Ų | 151 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | -162.5 | 101.2 | 107.6 | -105.5 | -25.6 | 0 | 0 | 0 | 114.1 | |||||
| 619 | T | 27.2 | Very low | 28.8 | Very low | 107 Ų | 107 | 154.1 Ų | 154.1 | 66% | 0.656 | 79% | 0.787 | S | S | * | * | trans | 37.4 | 121.4 | 131.9 | 47.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 620 | Q | 26.6 | Very low | 28.8 | Very low | 174 Ų | 174 | 150.1 Ų | 150.1 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | 82.1 | 86.4 | 140.3 | -63.3 | 175.4 | 20.6 | 0 | 0 | 119.6 | ||||
| 621 | T | 28.3 | Very low | 28.8 | Very low | 145 Ų | 145 | 148.7 Ų | 148.7 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | -179 | 106.2 | 105 | 20.7 | 0 | 0 | 0 | 0 | 111.2 | K623 | T621-K623 PolarHBondContact O-N 3.35Š| |||
| 622 | S | 25.3 | Very low | 28.8 | Very low | 112 Ų | 112 | 146.2 Ų | 146.2 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | trans | -63.6 | 121 | 174 | -178.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 623 | K | 29.7 | Very low | 28.7 | Very low | 204 Ų | 204 | 145.3 Ų | 145.3 | 89% | 0.887 | 76% | 0.764 | S | S | * | * | trans | -121 | 99.6 | 158.6 | -90.1 | -174.8 | 177 | 175.8 | 0 | 108.6 | T621 | T621-K623 PolarHBondContact O-N 3.35Š| ||
| 624 | K | 29.5 | Very low | 28.8 | Very low | 167 Ų | 167 | 141.7 Ų | 141.7 | 73% | 0.726 | 76% | 0.76 | S | S | * | * | trans | -48.1 | 135 | 169.9 | -73.5 | 178.5 | 168.5 | -174 | 0 | 111.4 | D626 | K624-D626 VanDerWaalsContact C-N 3.31Å; K624-D626 PolarHBondContact O-N 3.4Å; K624-D626 VanDerWaalsContact O-N 3.12Å | ||
| 625 | L | 30.2 | Very low | 28.7 | Very low | 179 Ų | 179 | 144.2 Ų | 144.2 | 94% | 0.937 | 77% | 0.768 | S | S | * | * | trans | -71.9 | 85.1 | 161.2 | -82 | 111.9 | 0 | 0 | 0 | 108.7 | ||||
| 626 | D | 27.7 | Very low | 28.6 | Very low | 140 Ų | 140 | 144.1 Ų | 144.1 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | trans | -103 | 92.6 | 167 | -70.9 | -25.6 | 0 | 0 | 0 | 107.9 | K624 | K624-D626 VanDerWaalsContact C-N 3.31Å; K624-D626 PolarHBondContact O-N 3.4Å; K624-D626 VanDerWaalsContact O-N 3.12Å | ||
| 627 | G | 30.9 | Very low | 28.5 | Very low | 60 Ų | 60 | 143 Ų | 143 | 62% | 0.619 | 76% | 0.762 | S | S | * | * | trans | -134.4 | 20.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 628 | V | 30.5 | Very low | 28.4 | Very low | 67 Ų | 67 | 143.1 Ų | 143.1 | 41% | 0.406 | 76% | 0.761 | S | S | . | * | trans | -95.4 | 120.3 | 176.5 | 178 | 0 | 0 | 0 | 0 | 109.6 | P481 T630 | P481-V628 HydrophobicContact CG-CB 4.07Å; P481-V628 HydrophobicContact CG-CG1 4.42Å; P481-V628 HydrophobicContact CG-CG2 3.52Å; V628-T630 PolarHBondContact O-N 2.91Å; V628-T630 VanDerWaalsContact O-N 3.07Å | ||
| 629 | W | 28.4 | Very low | 28.4 | Very low | 227 Ų | 227 | 140.9 Ų | 140.9 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | trans | -71.9 | 93.1 | 170.8 | -69.5 | 83.1 | 0 | 0 | 0 | 109 | I631 | W629-I631 PolarHBondContact O-N 3.08Š| ||
| 630 | T | 27.4 | Very low | 28.3 | Very low | 113 Ų | 113 | 145.2 Ų | 145.2 | 69% | 0.693 | 77% | 0.77 | S | S | * | * | trans | -78.5 | 110.3 | 161.6 | 40.1 | 0 | 0 | 0 | 0 | 108.5 | V628 G632 | V628-T630 PolarHBondContact O-N 2.91Å; V628-T630 VanDerWaalsContact O-N 3.07Å; T630-G632 PolarHBondContact O-N 2.84Å | ||
| 631 | I | 29.9 | Very low | 28.5 | Very low | 145 Ų | 145 | 142 Ų | 142 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | trans | -74.7 | 87.4 | 164.5 | -62.5 | 174.7 | 0 | 0 | 0 | 105.8 | W629 D633 | W629-I631 PolarHBondContact O-N 3.08Å; I631-D633 PolarHBondContact O-N 3.19Å | ||
| 632 | G | 28.6 | Very low | 28.4 | Very low | 55 Ų | 55 | 141.9 Ų | 141.9 | 57% | 0.567 | 77% | 0.766 | S | S | * | * | trans | -71.9 | 118.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | T630 D634 | T630-G632 PolarHBondContact O-N 2.84Å; G632-D634 PolarHBondContact O-N 3.46Å; G632-D634 VanDerWaalsContact O-N 3.17Å | ||
| 633 | D | 25.9 | Very low | 28.7 | Very low | 159 Ų | 159 | 139.9 Ų | 139.9 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | trans | -66.8 | 91.9 | 164.2 | -93.5 | -32.6 | 0 | 0 | 0 | 110 | I631 | I631-D633 PolarHBondContact O-N 3.19Š| ||
| 634 | D | 30.5 | Very low | 28.9 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | -109.4 | 93.8 | 172.7 | -71.6 | -31.3 | 0 | 0 | 0 | 111.8 | G632 E636 | G632-D634 PolarHBondContact O-N 3.46Å; G632-D634 VanDerWaalsContact O-N 3.17Å; D634-E636 PolarHBondContact O-N 3.29Å | ||
| 635 | Q | 27.5 | Very low | 28.9 | Very low | 195 Ų | 195 | 136.5 Ų | 136.5 | 91% | 0.911 | 77% | 0.767 | S | S | * | * | trans | -63 | 105 | 145.7 | -72.6 | -177.2 | -6.7 | 0 | 0 | 108.7 | ||||
| 636 | E | 28.6 | Very low | 28.9 | Very low | 178 Ų | 178 | 133 Ų | 133 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | trans | -108.4 | 103.1 | 166.1 | -82.8 | -169 | 157.9 | 0 | 0 | 111.5 | D634 | D634-E636 PolarHBondContact O-N 3.29Š| ||
| 637 | N | 26.2 | Very low | 29 | Very low | 145 Ų | 145 | 137.3 Ų | 137.3 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | trans | -91.8 | 120.4 | 152.1 | -90.1 | -30.4 | 0 | 0 | 0 | 108.7 | ||||
| 638 | I | 27.9 | Very low | 28.7 | Very low | 144 Ų | 144 | 145.5 Ų | 145.5 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | trans | 81.2 | 128.1 | 132.7 | -53.7 | 164.4 | 0 | 0 | 0 | 119.2 | ||||
| 639 | S | 30 | Very low | 28.7 | Very low | 105 Ų | 105 | 147.8 Ų | 147.8 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | 86.9 | 101.5 | 146.4 | 55 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 640 | E | 24.9 | Very low | 28.6 | Very low | 197 Ų | 197 | 145.8 Ų | 145.8 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | -7.8 | 131.1 | 136.8 | -65.4 | 172.5 | 153.9 | 0 | 0 | 119.3 | ||||
| 641 | S | 30.5 | Very low | 28.8 | Very low | 107 Ų | 107 | 144.1 Ų | 144.1 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -175.2 | 102.4 | 136.7 | 157 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 642 | T | 27.2 | Very low | 29 | Very low | 142 Ų | 142 | 142.1 Ų | 142.1 | 87% | 0.871 | 78% | 0.778 | S | S | * | * | trans | 30.9 | 124.9 | 135.9 | 40.2 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 643 | G | 30.7 | Very low | 29.4 | Very low | 71 Ų | 71 | 143.6 Ų | 143.6 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | trans | 160.7 | 91.2 | 151.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 644 | T | 33.2 | Very low | 29.7 | Very low | 134 Ų | 134 | 138.2 Ų | 138.2 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | trans | 20.5 | 134 | 141 | 51.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 645 | L | 31.2 | Very low | 30 | Very low | 165 Ų | 165 | 135 Ų | 135 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | cis | -172.7 | 168.1 | 26.6 | -98.5 | 151.9 | 0 | 0 | 0 | 108.1 | ||||
| 646 | P | 29.6 | Very low | 30.4 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 70% | 0.695 | 72% | 0.721 | S | S | * | * | trans | -115.7 | 155.4 | -144 | 40.5 | -32.2 | 0 | 0 | 0 | 116.9 | ||||
| 647 | R | 29 | Very low | 30.9 | Very low | 230 Ų | 230 | 126.1 Ų | 126.1 | 87% | 0.868 | 71% | 0.709 | S | S | * | * | trans | 179.8 | 131.3 | 141.5 | -108.4 | 168.1 | 167.7 | 173.8 | -3 | 114.2 | ||||
| 648 | R | 26.1 | Very low | 31.6 | Very low | 231 Ų | 231 | 123.5 Ų | 123.5 | 87% | 0.872 | 69% | 0.694 | S | S | * | * | trans | 62.4 | 91.6 | 149.7 | -75.7 | 178.2 | 161.6 | 168.6 | -5.8 | 119.7 | ||||
| 649 | S | 28.5 | Very low | 32.2 | Very low | 116 Ų | 116 | 118.9 Ų | 118.9 | 81% | 0.811 | 68% | 0.678 | S | S | * | * | -177.3 | 121.3 | 120.1 | 51 | 0 | 0 | 0 | 0 | 108.8 | S651 | S649-S651 PolarHBondContact O-N 3.45Š| |||
| 650 | M | 26.5 | Very low | 32.7 | Very low | 184 Ų | 184 | 122.3 Ų | 122.3 | 91% | 0.906 | 67% | 0.674 | S | S | * | * | trans | -96.8 | 91.9 | -173.3 | -152.8 | -178.2 | -58.4 | 0 | 0 | 108 | ||||
| 651 | S | 31.8 | Very low | 33.5 | Very low | 78 Ų | 78 | 115.5 Ų | 115.5 | 55% | 0.545 | 65% | 0.651 | S | S | . | * | trans | -88.8 | 160 | 174.6 | 56.8 | 0 | 0 | 0 | 0 | 111.3 | S649 T653 | S649-S651 PolarHBondContact O-N 3.45Å; S651-T653 PolarHBondContact O-N 3.49Å | ||
| 652 | I | 34.4 | Very low | 34.1 | Very low | 104 Ų | 104 | 116.9 Ų | 116.9 | 53% | 0.533 | 65% | 0.646 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.1 | 4.6 | -159.6 | -82 | 128.8 | 0 | 0 | 0 | 117 | S654 S1019 | I652-S654 PolarHBondContact O-N 3.32Å; I652-S1019 WeakPolarHBondContact CD1-O 3.33Å |
| 653 | T | 36.4 | Very low | 35 | Very low | 86 Ų | 86 | 113.4 Ų | 113.4 | 53% | 0.528 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.6 | -8.5 | 177.9 | 10.3 | 0 | 0 | 0 | 0 | 114.1 | S651 S656 Q657 | S651-T653 PolarHBondContact O-N 3.49Å; T653-S656 PolarHBondContact O-OG 3.29Å; T653-Q657 WeakPolarHBondContact O-CB 3.44Å; T653-Q657 WeakPolarHBondContact O-CG 3.39Å; T653-Q657 PolarHBondContact O-N 3.18Å |
| 654 | S | 32.8 | Very low | 35.6 | Very low | 45 Ų | 45 | 119.2 Ų | 119.2 | 32% | 0.315 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -77.7 | -25.8 | -174.5 | 61.5 | 0 | 0 | 0 | 0 | 114.6 | I652 Q657 I658 | I652-S654 PolarHBondContact O-N 3.32Å; S654-Q657 CarbonylContact O-C 3.55Å; S654-Q657 PolarHBondContact O-N 3.23Å; S654-I658 WeakPolarHBondContact O-CA 3.47Å; S654-I658 WeakPolarHBondContact O-CB 3.4Å; S654-I658 VanDerWaalsContact O-CD1 3.26Å; S654-I658 WeakPolarHBondContact O-CD1 3.4Å; S654-I658 WeakPolarHBondContact O-CG1 3.44Å; S654-I658 PolarHBondContact O-N 2.7Å |
| 655 | A | 36.3 | Very low | 35.9 | Very low | 71 Ų | 71 | 121.1 Ų | 121.1 | 59% | 0.587 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.3 | -42.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I658 A659 | A655-I658 PolarHBondContact O-N 3.36Å; A655-A659 WeakPolarHBondContact O-CB 3.2Å; A655-A659 PolarHBondContact O-N 3.28Å |
| 656 | S | 37.1 | Very low | 36.5 | Very low | 64 Ų | 64 | 116.5 Ų | 116.5 | 45% | 0.448 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -72.6 | -31.1 | 174.1 | 65.5 | 0 | 0 | 0 | 0 | 111.9 | T653 R660 | T653-S656 PolarHBondContact O-OG 3.29Å; S656-R660 VanDerWaalsContact O-CB 3.3Å; S656-R660 WeakPolarHBondContact O-CB 3.24Å; S656-R660 VanDerWaalsContact O-CG 3.27Å; S656-R660 WeakPolarHBondContact O-CG 3.34Å; S656-R660 PolarHBondContact O-N 3.2Å |
| 657 | Q | 39.4 | Very low | 37 | Very low | 122 Ų | 122 | 120.6 Ų | 120.6 | 57% | 0.57 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -73.2 | -31.5 | 170.8 | -74.2 | -175 | -5.8 | 0 | 0 | 113 | T653 S654 R660 A661 | T653-Q657 WeakPolarHBondContact O-CB 3.44Å; T653-Q657 WeakPolarHBondContact O-CG 3.39Å; T653-Q657 PolarHBondContact O-N 3.18Å; S654-Q657 CarbonylContact O-C 3.55Å; S654-Q657 PolarHBondContact O-N 3.23Å; Q657-R660 CarbonylContact O-C 3.59Å; Q657-R660 PolarHBondContact O-N 3.38Å; Q657-A661 WeakPolarHBondContact O-CA 3.41Å; Q657-A661 WeakPolarHBondContact O-CB 3.33Å; Q657-A661 PolarHBondContact O-N 3.48Å |
| 658 | I | 39.3 | Very low | 38.1 | Very low | 90 Ų | 90 | 117.7 Ų | 117.7 | 46% | 0.462 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -72.8 | -39.5 | 173.9 | -71.2 | 160.4 | 0 | 0 | 0 | 109.2 | S654 A655 A661 Q662 | S654-I658 WeakPolarHBondContact O-CA 3.47Å; S654-I658 WeakPolarHBondContact O-CB 3.4Å; S654-I658 VanDerWaalsContact O-CD1 3.26Å; S654-I658 WeakPolarHBondContact O-CD1 3.4Å; S654-I658 WeakPolarHBondContact O-CG1 3.44Å; S654-I658 PolarHBondContact O-N 2.7Å; A655-I658 PolarHBondContact O-N 3.36Å; I658-A661 PolarHBondContact O-N 2.98Å; I658-Q662 HydrophobicContact CG2-CG 4.39Å; I658-Q662 VanDerWaalsContact O-CB 3.27Å; I658-Q662 WeakPolarHBondContact O-CB 3.44Å; I658-Q662 VanDerWaalsContact O-CG 3.26Å; I658-Q662 WeakPolarHBondContact O-CG 3.41Å; I658-Q662 PolarHBondContact O-N 3.28Å |
| 659 | A | 41.7 | Very low | 40.2 | Very low | 48 Ų | 48 | 109.6 Ų | 109.6 | 40% | 0.397 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.3 | -43.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A655 Q662 L663 | A655-A659 WeakPolarHBondContact O-CB 3.2Å; A655-A659 PolarHBondContact O-N 3.28Å; A659-Q662 PolarHBondContact O-N 3.3Å; A659-L663 VanDerWaalsContact O-CB 3.26Å; A659-L663 WeakPolarHBondContact O-CB 3.37Å; A659-L663 WeakPolarHBondContact O-CD1 3.37Å; A659-L663 WeakPolarHBondContact O-CG 3.34Å; A659-L663 PolarHBondContact O-N 2.97Å |
| 660 | R | 41 | Very low | 42.3 | Very low | 177 Ų | 177 | 106.1 Ų | 106.1 | 67% | 0.668 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.2 | -33.1 | 174 | -77.2 | 176.7 | -179.3 | 172.4 | 2 | 113.4 | S656 Q657 L663 K664 | S656-R660 VanDerWaalsContact O-CB 3.3Å; S656-R660 WeakPolarHBondContact O-CB 3.24Å; S656-R660 VanDerWaalsContact O-CG 3.27Å; S656-R660 WeakPolarHBondContact O-CG 3.34Å; S656-R660 PolarHBondContact O-N 3.2Å; Q657-R660 CarbonylContact O-C 3.59Å; Q657-R660 PolarHBondContact O-N 3.38Å; R660-L663 WeakPolarHBondContact O-CB 3.44Å; R660-L663 PolarHBondContact O-N 2.91Å; R660-K664 PolarHBondContact O-N 3.2Å; R660-K664 VanDerWaalsContact O-N 3.12Å |
| 661 | A | 40.8 | Very low | 44.6 | Very low | 53 Ų | 53 | 99.7 Ų | 99.7 | 44% | 0.438 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -77.4 | -34.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q657 I658 K664 K665 | Q657-A661 WeakPolarHBondContact O-CA 3.41Å; Q657-A661 WeakPolarHBondContact O-CB 3.33Å; Q657-A661 PolarHBondContact O-N 3.48Å; I658-A661 PolarHBondContact O-N 2.98Å; A661-K664 PolarHBondContact O-N 2.55Å; A661-K665 PolarHBondContact O-N 2.76Å |
| 662 | Q | 42.9 | Very low | 46.8 | Very low | 137 Ų | 137 | 99.9 Ų | 99.9 | 64% | 0.64 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69.5 | -36.1 | 168.7 | -72.7 | -174.3 | -3.9 | 0 | 0 | 110.9 | I658 A659 K664 K665 | I658-Q662 HydrophobicContact CG2-CG 4.39Å; I658-Q662 VanDerWaalsContact O-CB 3.27Å; I658-Q662 WeakPolarHBondContact O-CB 3.44Å; I658-Q662 VanDerWaalsContact O-CG 3.26Å; I658-Q662 WeakPolarHBondContact O-CG 3.41Å; I658-Q662 PolarHBondContact O-N 3.28Å; A659-Q662 PolarHBondContact O-N 3.3Å; Q662-K664 PolarHBondContact O-N 2.91Å; Q662-K665 PolarHBondContact O-N 3.5Å |
| 663 | L | 46.9 | Very low | 49 | Very low | 69 Ų | 69 | 99.4 Ų | 99.4 | 36% | 0.361 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -20.1 | 169.7 | -81.9 | 160.4 | 0 | 0 | 0 | 113.8 | A659 R660 K978 | A659-L663 VanDerWaalsContact O-CB 3.26Å; A659-L663 WeakPolarHBondContact O-CB 3.37Å; A659-L663 WeakPolarHBondContact O-CD1 3.37Å; A659-L663 WeakPolarHBondContact O-CG 3.34Å; A659-L663 PolarHBondContact O-N 2.97Å; R660-L663 WeakPolarHBondContact O-CB 3.44Å; R660-L663 PolarHBondContact O-N 2.91Å; L663-K978 HydrophobicContact CD2-CD 4.44Å; L663-K978 WeakPolarHBondContact O-CE 3.37Å; L663-K978 PolarHBondContact O-NZ 3.11Å |
| 664 | K | 42.6 | Very low | 51 | Low | 192 Ų | 192 | 95.3 Ų | 95.3 | 84% | 0.835 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -17.4 | 170.4 | -82 | -174.1 | 176.1 | -178.1 | 0 | 113.1 | R660 A661 Q662 | R660-K664 PolarHBondContact O-N 3.2Å; R660-K664 VanDerWaalsContact O-N 3.12Å; A661-K664 PolarHBondContact O-N 2.55Å; Q662-K664 PolarHBondContact O-N 2.91Å |
| 665 | K | 40.2 | Very low | 53.3 | Low | 174 Ų | 174 | 96.9 Ų | 96.9 | 76% | 0.757 | 50% | 0.5 | S | S | * | . | trans | -91.1 | 2.7 | -178.3 | -85.5 | -175.1 | 176.6 | 178.7 | 0 | 115.4 | A661 Q662 K667 | A661-K665 PolarHBondContact O-N 2.76Å; Q662-K665 PolarHBondContact O-N 3.5Å; K665-K667 VanDerWaalsContact C-N 3.29Å; K665-K667 PolarHBondContact O-N 3.08Å | ||
| 666 | A | 42.7 | Very low | 55.6 | Low | 68 Ų | 68 | 97.5 Ų | 97.5 | 56% | 0.562 | 49% | 0.491 | S | S | * | . | trans | -68.1 | 84.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 667 | K | 41.1 | Very low | 57.9 | Low | 194 Ų | 194 | 96.6 Ų | 96.6 | 84% | 0.843 | 48% | 0.48 | S | S | * | . | trans | -58.9 | 133.8 | 169.1 | -76.5 | 175.2 | 172 | 178.7 | 0 | 109.8 | K665 | K665-K667 VanDerWaalsContact C-N 3.29Å; K665-K667 PolarHBondContact O-N 3.08Å | ||
| 668 | K | 52 | Low | 60.1 | Low | 169 Ų | 169 | 90.9 Ų | 90.9 | 74% | 0.735 | 45% | 0.454 | S | S | * | . | S | Bend | trans | 81.9 | 138.9 | -179.6 | -58.2 | 179.9 | 178.5 | 177.7 | 0 | 115.3 | ||
| 669 | S | 69.5 | Low | 62.3 | Low | 61 Ų | 61 | 93 Ų | 93 | 43% | 0.427 | 46% | 0.46 | S | S | . | . | trans | -56.2 | 127.9 | -177 | 50.7 | 0 | 0 | 0 | 0 | 110.9 | T671 L672 R673 | S669-T671 PolarHBondContact O-N 2.94Å; S669-T671 VanDerWaalsContact O-N 3.13Å; S669-L672 PolarHBondContact O-N 3.2Å; S669-L672 VanDerWaalsContact O-N 3.08Å; S669-L672 WeakPolarHBondContact OG-CB 3.22Å; S669-R673 PolarHBondContact O-N 3.17Å | ||
| 670 | P | 73.4 | Confident | 64.5 | Low | 43 Ų | 43 | 94.7 Ų | 94.7 | 28% | 0.279 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.2 | -31.9 | -174.5 | 21.1 | -32.4 | 0 | 0 | 0 | 112.1 | R673 V674 A977 L981 | P670-R673 PolarHBondContact O-N 3.41Å; P670-V674 WeakPolarHBondContact O-CG2 3.24Å; P670-V674 PolarHBondContact O-N 3.35Å; P670-V674 VanDerWaalsContact O-N 3.14Å; P670-A977 HydrophobicContact CB-CB 4.2Å; P670-L981 HydrophobicContact CB-CD1 3.82Å |
| 671 | T | 74.1 | Confident | 66.8 | Low | 48 Ų | 48 | 86.7 Ų | 86.7 | 29% | 0.294 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 177.1 | 51.6 | 0 | 0 | 0 | 0 | 112.9 | S669 R673 V674 L675 I802 K974 | S669-T671 PolarHBondContact O-N 2.94Å; S669-T671 VanDerWaalsContact O-N 3.13Å; T671-R673 VanDerWaalsContact C-N 3.33Å; T671-R673 PolarHBondContact O-N 3.46Å; T671-V674 PolarHBondContact O-N 3.13Å; T671-L675 PolarHBondContact O-N 3.06Å; T671-I802 HydrophobicContact CG2-CD1 4.3Å; T671-K974 HydrophobicContact CG2-CG 4.14Å |
| 672 | L | 77.8 | Confident | 69 | Low | 82 Ų | 82 | 88.5 Ų | 88.5 | 43% | 0.429 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.9 | -40.6 | -180 | -176.3 | 69.6 | 0 | 0 | 0 | 110.8 | S669 V674 L675 Q676 | S669-L672 PolarHBondContact O-N 3.2Å; S669-L672 VanDerWaalsContact O-N 3.08Å; S669-L672 WeakPolarHBondContact OG-CB 3.22Å; L672-V674 VanDerWaalsContact C-N 3.31Å; L672-V674 PolarHBondContact O-N 3.26Å; L672-L675 WeakPolarHBondContact O-CB 3.43Å; L672-L675 PolarHBondContact O-N 3.32Å; L672-Q676 WeakPolarHBondContact O-CG 3.42Å; L672-Q676 PolarHBondContact O-N 2.98Å |
| 673 | R | 80.1 | Confident | 71.2 | Confident | 94 Ų | 94 | 85.9 Ų | 85.9 | 36% | 0.355 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.5 | -36.4 | 178.7 | -171.7 | 168.3 | -179.1 | -173.8 | -2.6 | 112.3 | S669 P670 T671 Q676 L677 L981 D985 | S669-R673 PolarHBondContact O-N 3.17Å; P670-R673 PolarHBondContact O-N 3.41Å; T671-R673 VanDerWaalsContact C-N 3.33Å; T671-R673 PolarHBondContact O-N 3.46Å; R673-Q676 WeakPolarHBondContact O-CB 3.39Å; R673-Q676 PolarHBondContact O-N 3.08Å; R673-L677 PolarHBondContact O-N 2.65Å; R673-L981 HydrophobicContact CB-CD1 4.07Å; R673-L981 HydrophobicContact CB-CD2 4.49Å; R673-L981 HydrophobicContact CG-CD1 4.31Å; R673-L981 HydrophobicContact CG-CD2 3.9Å; R673-D985 IonicContact CZ-OD1 3.59Å; R673-D985 IonicContact CZ-OD2 2.75Å; R673-D985 IonicContact NH1-OD1 3.74Å; R673-D985 PolarHBondContact NH1-OD1 2.78Å; R673-D985 IonicContact NH1-OD2 2.63Å; R673-D985 PolarHBondContact NH1-OD2 3.18Å; R673-D985 IonicContact NH2-OD1 3.64Å; R673-D985 PolarHBondContact NH2-OD1 3.02Å; R673-D985 IonicContact NH2-OD2 2.88Å |
| 674 | V | 79.8 | Confident | 73.2 | Confident | 1 Ų | 1 | 84.4 Ų | 84.4 | 1% | 0.006 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -68.6 | -40.3 | 175.4 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | P670 T671 L672 Q676 L677 M799 I802 A977 L981 | P670-V674 WeakPolarHBondContact O-CG2 3.24Å; P670-V674 PolarHBondContact O-N 3.35Å; P670-V674 VanDerWaalsContact O-N 3.14Å; T671-V674 PolarHBondContact O-N 3.13Å; L672-V674 VanDerWaalsContact C-N 3.31Å; L672-V674 PolarHBondContact O-N 3.26Å; V674-Q676 PolarHBondContact O-N 2.87Å; V674-L677 WeakPolarHBondContact O-CB 3.11Å; V674-L677 PolarHBondContact O-N 3.48Å; V674-M799 HydrophobicContact CB-CE 3.81Å; V674-M799 HydrophobicContact CG1-CE 3.37Å; V674-M799 HydrophobicContact CG2-CE 3.07Å; V674-I802 HydrophobicContact CB-CD1 4.43Å; V674-I802 HydrophobicContact CG1-CD1 4.23Å; V674-I802 HydrophobicContact CG1-CG2 4.49Å; V674-A977 HydrophobicContact CG2-CB 4Å; V674-L981 HydrophobicContact CG2-CD1 4.13Å; V674-L981 HydrophobicContact CG2-CG 4.42Å |
| 675 | L | 80.4 | Confident | 75.4 | Confident | 78 Ų | 78 | 76 Ų | 76 | 41% | 0.408 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.7 | -34.6 | 173.4 | -168.6 | 68.4 | 0 | 0 | 0 | 111.5 | T671 L672 L677 N678 | T671-L675 PolarHBondContact O-N 3.06Å; L672-L675 WeakPolarHBondContact O-CB 3.43Å; L672-L675 PolarHBondContact O-N 3.32Å; L675-L677 VanDerWaalsContact C-N 3.29Å; L675-L677 PolarHBondContact O-N 3.05Å; L675-N678 WeakPolarHBondContact O-CB 3.46Å; L675-N678 PolarHBondContact O-N 3.37Å; L675-N678 VanDerWaalsContact O-N 3.1Å |
| 676 | Q | 84.7 | Confident | 77.8 | Confident | 83 Ų | 83 | 72.6 Ų | 72.6 | 39% | 0.388 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.2 | -27.3 | 174.1 | -69.2 | 173.3 | 4.1 | 0 | 0 | 113.5 | L672 R673 V674 N678 K679 | L672-Q676 WeakPolarHBondContact O-CG 3.42Å; L672-Q676 PolarHBondContact O-N 2.98Å; R673-Q676 WeakPolarHBondContact O-CB 3.39Å; R673-Q676 PolarHBondContact O-N 3.08Å; V674-Q676 PolarHBondContact O-N 2.87Å; Q676-N678 PolarHBondContact O-N 2.8Å; Q676-K679 WeakPolarHBondContact O-CB 3.43Å; Q676-K679 WeakPolarHBondContact O-CD 3.26Å; Q676-K679 WeakPolarHBondContact O-CG 3.33Å; Q676-K679 PolarHBondContact O-N 3.31Å |
| 677 | L | 85.4 | Confident | 80.1 | Confident | 45 Ų | 45 | 73.9 Ų | 73.9 | 24% | 0.236 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -69.3 | -16 | 173.2 | -64.7 | 172.6 | 0 | 0 | 0 | 112.7 | R673 V674 L675 L758 R761 M765 | R673-L677 PolarHBondContact O-N 2.65Å; V674-L677 WeakPolarHBondContact O-CB 3.11Å; V674-L677 PolarHBondContact O-N 3.48Å; L675-L677 VanDerWaalsContact C-N 3.29Å; L675-L677 PolarHBondContact O-N 3.05Å; L677-L758 HydrophobicContact CB-CD1 4.05Å; L677-R761 PolarHBondContact O-NH1 2.99Å; L677-M765 HydrophobicContact CD1-CE 4.04Å; L677-M765 HydrophobicContact CD2-CE 4.09Å; L677-M765 HydrophobicContact CD2-SD 4.48Å |
| 678 | N | 85.2 | Confident | 82.5 | Confident | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.011 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 7.1 | 177.9 | -151.1 | 11.8 | 0 | 0 | 0 | 113 | L675 Q676 E681 L682 I685 S754 L758 | L675-N678 WeakPolarHBondContact O-CB 3.46Å; L675-N678 PolarHBondContact O-N 3.37Å; L675-N678 VanDerWaalsContact O-N 3.1Å; Q676-N678 PolarHBondContact O-N 2.8Å; N678-E681 PolarHBondContact O-N 2.95Å; N678-E681 VanDerWaalsContact O-N 3.15Å; N678-L682 PolarHBondContact O-N 2.83Å; N678-I685 HydrophobicContact CB-CD1 4.27Å; N678-I685 WeakPolarHBondContact ND2-CD1 3.39Å; N678-S754 PolarHBondContact ND2-OG 3.01Å; N678-S754 PolarHBondContact OD1-OG 2.93Å; N678-S754 VanDerWaalsContact OD1-OG 3.09Å; N678-L758 HydrophobicContact CB-CD1 4.18Å; N678-L758 HydrophobicContact CB-CD2 4.41Å |
| 679 | K | 85.5 | Confident | 84.3 | Confident | 134 Ų | 134 | 57.9 Ų | 57.9 | 58% | 0.583 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -51.5 | -41.3 | 177.8 | -83.4 | 176.7 | 179.5 | -171.9 | 0 | 114.7 | Q676 E681 L682 | Q676-K679 WeakPolarHBondContact O-CB 3.43Å; Q676-K679 WeakPolarHBondContact O-CD 3.26Å; Q676-K679 WeakPolarHBondContact O-CG 3.33Å; Q676-K679 PolarHBondContact O-N 3.31Å; K679-E681 PolarHBondContact O-N 3.33Å; K679-L682 WeakPolarHBondContact O-CB 3.47Å; K679-L682 PolarHBondContact O-N 2.99Å |
| 680 | P | 88.5 | Confident | 85.4 | Confident | 85 Ų | 85 | 61.4 Ų | 61.4 | 55% | 0.552 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -63 | -22.8 | -178.8 | -23.9 | 35.9 | 0 | 0 | 0 | 113.8 | ||
| 681 | E | 89.1 | Confident | 86.3 | Confident | 8 Ų | 8 | 60 Ų | 60 | 4% | 0.037 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -100.2 | 6 | 179.4 | -64.4 | 70.2 | -157.6 | 0 | 0 | 112.4 | N678 K679 P683 L684 I685 K757 R761 | N678-E681 PolarHBondContact O-N 2.95Å; N678-E681 VanDerWaalsContact O-N 3.15Å; K679-E681 PolarHBondContact O-N 3.33Å; E681-P683 VanDerWaalsContact C-CD 3.41Å; E681-L684 HydrophobicContact CB-CD1 4.47Å; E681-L684 WeakPolarHBondContact O-CB 3.49Å; E681-L684 PolarHBondContact O-N 3.39Å; E681-I685 WeakPolarHBondContact O-CG1 3.45Å; E681-I685 PolarHBondContact O-N 2.92Å; E681-K757 HydrophobicContact CG-CB 4.34Å; E681-K757 HydrophobicContact CG-CD 3.97Å; E681-R761 IonicContact OE1-CZ 3.2Å; E681-R761 IonicContact OE1-NH1 3.35Å; E681-R761 IonicContact OE1-NH2 3.33Å; E681-R761 PolarHBondContact OE1-NH2 3.47Å; E681-R761 IonicContact OE2-CZ 3.34Å; E681-R761 IonicContact OE2-NH1 2.75Å; E681-R761 PolarHBondContact OE2-NH1 2.96Å; E681-R761 IonicContact OE2-NH2 2.76Å; E681-R761 PolarHBondContact OE2-NH2 3.01Å |
| 682 | L | 86.7 | Confident | 87.1 | Confident | 92 Ų | 92 | 57.7 Ų | 57.7 | 48% | 0.482 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -47.5 | -44.7 | 178.6 | -172.2 | 66.8 | 0 | 0 | 0 | 114.5 | N678 K679 L684 I685 I686 | N678-L682 PolarHBondContact O-N 2.83Å; K679-L682 WeakPolarHBondContact O-CB 3.47Å; K679-L682 PolarHBondContact O-N 2.99Å; L682-L684 VanDerWaalsContact C-N 3.31Å; L682-L684 PolarHBondContact O-N 3.16Å; L682-I685 PolarHBondContact O-N 3.33Å; L682-I686 HydrophobicContact CD1-CD1 4.28Å; L682-I686 HydrophobicContact CD1-CG1 4.34Å; L682-I686 HydrophobicContact CD2-CD1 4.42Å; L682-I686 HydrophobicContact CG-CD1 3.85Å; L682-I686 HydrophobicContact CG-CG1 4.34Å; L682-I686 WeakPolarHBondContact O-CG1 3.42Å; L682-I686 PolarHBondContact O-N 2.8Å |
| 683 | P | 88.7 | Confident | 87.7 | Confident | 81 Ų | 81 | 57.7 Ų | 57.7 | 53% | 0.526 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63 | -37.4 | 178.1 | 23.8 | -34.2 | 0 | 0 | 0 | 112.6 | E681 I685 I686 I687 | E681-P683 VanDerWaalsContact C-CD 3.41Å; P683-I685 VanDerWaalsContact C-N 3.34Å; P683-I686 PolarHBondContact O-N 3.26Å; P683-I687 VanDerWaalsContact O-CG1 3.29Å; P683-I687 WeakPolarHBondContact O-CG1 3.04Å; P683-I687 PolarHBondContact O-N 2.89Å; P683-I687 VanDerWaalsContact O-N 3.15Å |
| 684 | L | 90.2 | Very high | 88.3 | Confident | 38 Ų | 38 | 56 Ų | 56 | 20% | 0.199 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.1 | -38.2 | 176.5 | -63.4 | 168.7 | 0 | 0 | 0 | 111.2 | E681 L682 G688 L750 K753 | E681-L684 HydrophobicContact CB-CD1 4.47Å; E681-L684 WeakPolarHBondContact O-CB 3.49Å; E681-L684 PolarHBondContact O-N 3.39Å; L682-L684 VanDerWaalsContact C-N 3.31Å; L682-L684 PolarHBondContact O-N 3.16Å; L684-G688 PolarHBondContact O-N 3.48Å; L684-L750 HydrophobicContact CD2-CD2 3.75Å; L684-K753 HydrophobicContact CD1-CD 4.24Å; L684-K753 HydrophobicContact CD1-CG 4.48Å |
| 685 | I | 87.9 | Confident | 88.7 | Confident | 16 Ų | 16 | 56.1 Ų | 56.1 | 8% | 0.082 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.7 | -45.5 | 177.5 | -61.1 | 165.4 | 0 | 0 | 0 | 110.2 | N678 E681 L682 P683 I687 G688 C689 S754 L807 | N678-I685 HydrophobicContact CB-CD1 4.27Å; N678-I685 WeakPolarHBondContact ND2-CD1 3.39Å; E681-I685 WeakPolarHBondContact O-CG1 3.45Å; E681-I685 PolarHBondContact O-N 2.92Å; L682-I685 PolarHBondContact O-N 3.33Å; P683-I685 VanDerWaalsContact C-N 3.34Å; I685-I687 PolarHBondContact O-N 3.16Å; I685-G688 CarbonylContact O-C 3.6Å; I685-G688 PolarHBondContact O-N 3.49Å; I685-C689 WeakPolarHBondContact O-CB 3.25Å; I685-C689 PolarHBondContact O-N 3.47Å; I685-C689 PolarHBondContact O-SG 3.03Å; I685-S754 WeakPolarHBondContact CG1-OG 3.13Å; I685-L807 HydrophobicContact CG2-CD2 4.35Å |
| 686 | I | 90.5 | Very high | 89.1 | Confident | 103 Ų | 103 | 52.5 Ų | 52.5 | 53% | 0.528 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.8 | -48.3 | 179.9 | -68.8 | 167.2 | 0 | 0 | 0 | 110.7 | L682 P683 G688 C689 F690 | L682-I686 HydrophobicContact CD1-CD1 4.28Å; L682-I686 HydrophobicContact CD1-CG1 4.34Å; L682-I686 HydrophobicContact CD2-CD1 4.42Å; L682-I686 HydrophobicContact CG-CD1 3.85Å; L682-I686 HydrophobicContact CG-CG1 4.34Å; L682-I686 WeakPolarHBondContact O-CG1 3.42Å; L682-I686 PolarHBondContact O-N 2.8Å; P683-I686 PolarHBondContact O-N 3.26Å; I686-G688 VanDerWaalsContact C-N 3.33Å; I686-G688 PolarHBondContact O-N 3.42Å; I686-C689 PolarHBondContact O-N 3.22Å; I686-F690 PolarHBondContact O-N 2.79Å; I686-F690 VanDerWaalsContact O-N 3.08Å |
| 687 | I | 91.8 | Very high | 89.4 | Confident | 94 Ų | 94 | 51 Ų | 51 | 48% | 0.482 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 177.2 | -59.5 | 166.9 | 0 | 0 | 0 | 110.2 | P683 I685 C689 F690 C691 L750 | P683-I687 VanDerWaalsContact O-CG1 3.29Å; P683-I687 WeakPolarHBondContact O-CG1 3.04Å; P683-I687 PolarHBondContact O-N 2.89Å; P683-I687 VanDerWaalsContact O-N 3.15Å; I685-I687 PolarHBondContact O-N 3.16Å; I687-C689 VanDerWaalsContact C-N 3.35Å; I687-C689 PolarHBondContact O-N 3.37Å; I687-F690 WeakPolarHBondContact O-CB 3.22Å; I687-F690 PolarHBondContact O-N 2.83Å; I687-C691 PolarHBondContact O-N 2.97Å; I687-C691 VanDerWaalsContact O-N 3.08Å; I687-C691 PolarHBondContact O-SG 3.1Å; I687-L750 HydrophobicContact CB-CD1 4.05Å; I687-L750 HydrophobicContact CG2-CD1 3.51Å |
| 688 | G | 91.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.8 | -42 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | L684 I685 I686 F690 C691 C692 | L684-G688 PolarHBondContact O-N 3.48Å; I685-G688 CarbonylContact O-C 3.6Å; I685-G688 PolarHBondContact O-N 3.49Å; I686-G688 VanDerWaalsContact C-N 3.33Å; I686-G688 PolarHBondContact O-N 3.42Å; G688-F690 VanDerWaalsContact C-N 3.32Å; G688-F690 PolarHBondContact O-N 2.97Å; G688-C691 WeakPolarHBondContact O-CB 3.43Å; G688-C691 PolarHBondContact O-N 3.45Å; G688-C692 PolarHBondContact O-N 2.96Å; G688-C692 PolarHBondContact O-SG 2.89Å |
| 689 | C | 89.8 | Confident | 89.7 | Confident | 28 Ų | 28 | 51.1 Ų | 51.1 | 19% | 0.189 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.8 | -37.9 | 175.3 | -70.1 | 0 | 0 | 0 | 0 | 111.7 | I685 I686 I687 C692 L693 I811 | I685-C689 WeakPolarHBondContact O-CB 3.25Å; I685-C689 PolarHBondContact O-N 3.47Å; I685-C689 PolarHBondContact O-SG 3.03Å; I686-C689 PolarHBondContact O-N 3.22Å; I687-C689 VanDerWaalsContact C-N 3.35Å; I687-C689 PolarHBondContact O-N 3.37Å; C689-C692 WeakPolarHBondContact O-CB 3.34Å; C689-C692 PolarHBondContact O-N 3.07Å; C689-L693 WeakPolarHBondContact O-CG 3.31Å; C689-L693 PolarHBondContact O-N 2.67Å; C689-I811 HydrophobicContact CB-CD1 4.13Å; C689-I811 WeakPolarHBondContact SG-CD1 3.24Å |
| 690 | F | 92.1 | Very high | 89.8 | Confident | 134 Ų | 134 | 44.9 Ų | 44.9 | 59% | 0.588 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -63.3 | -42.5 | 173.6 | -172.2 | -102.5 | 0 | 0 | 0 | 111.7 | I686 I687 G688 C692 L693 I694 | I686-F690 PolarHBondContact O-N 2.79Å; I686-F690 VanDerWaalsContact O-N 3.08Å; I687-F690 WeakPolarHBondContact O-CB 3.22Å; I687-F690 PolarHBondContact O-N 2.83Å; G688-F690 VanDerWaalsContact C-N 3.32Å; G688-F690 PolarHBondContact O-N 2.97Å; F690-C692 VanDerWaalsContact C-N 3.3Å; F690-C692 PolarHBondContact O-N 2.96Å; F690-L693 WeakPolarHBondContact O-CB 3.42Å; F690-L693 PolarHBondContact O-N 3.44Å; F690-I694 HydrophobicContact CD1-CD1 3.82Å; F690-I694 HydrophobicContact CE1-CD1 3.59Å; F690-I694 HydrophobicContact CE1-CG1 4.32Å; F690-I694 HydrophobicContact CZ-CD1 4.36Å; F690-I694 WeakPolarHBondContact O-CG1 3.47Å; F690-I694 PolarHBondContact O-N 3.35Å |
| 691 | C | 92.5 | Very high | 90 | Very high | 14 Ų | 14 | 42.4 Ų | 42.4 | 10% | 0.095 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.5 | -38.2 | 171.4 | -62.6 | 0 | 0 | 0 | 0 | 112.4 | I687 G688 I694 N695 Q747 | I687-C691 PolarHBondContact O-N 2.97Å; I687-C691 VanDerWaalsContact O-N 3.08Å; I687-C691 PolarHBondContact O-SG 3.1Å; G688-C691 WeakPolarHBondContact O-CB 3.43Å; G688-C691 PolarHBondContact O-N 3.45Å; C691-I694 PolarHBondContact O-N 3.28Å; C691-N695 PolarHBondContact O-N 3.3Å; C691-N695 PolarHBondContact O-ND2 3.16Å; C691-Q747 HydrophobicContact CB-CB 4.06Å |
| 692 | C | 90.4 | Very high | 90 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.4 | -39.2 | 174.7 | -64.2 | 0 | 0 | 0 | 0 | 112.7 | G688 C689 F690 N695 G696 Q747 L751 G808 I811 | G688-C692 PolarHBondContact O-N 2.96Å; G688-C692 PolarHBondContact O-SG 2.89Å; C689-C692 WeakPolarHBondContact O-CB 3.34Å; C689-C692 PolarHBondContact O-N 3.07Å; F690-C692 VanDerWaalsContact C-N 3.3Å; F690-C692 PolarHBondContact O-N 2.96Å; C692-N695 PolarHBondContact O-N 3.43Å; C692-G696 PolarHBondContact O-N 2.88Å; C692-Q747 VanDerWaalsContact SG-CG 3.6Å; C692-Q747 PolarHBondContact SG-OE1 2.66Å; C692-L751 VanDerWaalsContact SG-CD1 3.55Å; C692-G808 WeakPolarHBondContact SG-CA 3.36Å; C692-I811 HydrophobicContact CB-CB 4.26Å; C692-I811 HydrophobicContact CB-CG2 4Å |
| 693 | L | 91.5 | Very high | 90 | Very high | 81 Ų | 81 | 38.2 Ų | 38.2 | 42% | 0.424 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62 | -45.9 | 174.6 | -69.7 | 175.2 | 0 | 0 | 0 | 110.7 | C689 F690 N695 G696 T697 I811 A815 | C689-L693 WeakPolarHBondContact O-CG 3.31Å; C689-L693 PolarHBondContact O-N 2.67Å; F690-L693 WeakPolarHBondContact O-CB 3.42Å; F690-L693 PolarHBondContact O-N 3.44Å; L693-N695 VanDerWaalsContact C-N 3.33Å; L693-N695 PolarHBondContact O-N 3.2Å; L693-G696 PolarHBondContact O-N 2.88Å; L693-G696 VanDerWaalsContact O-N 3.15Å; L693-T697 VanDerWaalsContact O-CG2 3.31Å; L693-T697 WeakPolarHBondContact O-CG2 3.23Å; L693-T697 PolarHBondContact O-N 3.24Å; L693-T697 PolarHBondContact O-OG1 2.81Å; L693-I811 HydrophobicContact CD2-CG2 3.83Å; L693-I811 HydrophobicContact CG-CG2 4.21Å; L693-A815 HydrophobicContact CD2-CB 3.84Å |
| 694 | I | 92 | Very high | 90.1 | Very high | 58 Ų | 58 | 36.6 Ų | 36.6 | 30% | 0.297 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -56.5 | -48.2 | 175.2 | -66.6 | 165.6 | 0 | 0 | 0 | 110.5 | F690 C691 G696 T697 A698 A743 | F690-I694 HydrophobicContact CD1-CD1 3.82Å; F690-I694 HydrophobicContact CE1-CD1 3.59Å; F690-I694 HydrophobicContact CE1-CG1 4.32Å; F690-I694 HydrophobicContact CZ-CD1 4.36Å; F690-I694 WeakPolarHBondContact O-CG1 3.47Å; F690-I694 PolarHBondContact O-N 3.35Å; C691-I694 PolarHBondContact O-N 3.28Å; I694-G696 VanDerWaalsContact C-N 3.34Å; I694-G696 PolarHBondContact O-N 3.15Å; I694-T697 PolarHBondContact O-N 3.09Å; I694-T697 PolarHBondContact O-OG1 3.08Å; I694-A698 PolarHBondContact O-N 3.08Å; I694-A698 VanDerWaalsContact O-N 3.09Å; I694-A743 HydrophobicContact CB-CB 4.16Å; I694-A743 HydrophobicContact CG2-CB 3.78Å |
| 695 | N | 89.3 | Confident | 90.2 | Very high | 5 Ų | 5 | 35.5 Ų | 35.5 | 3% | 0.027 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.3 | -40.5 | 177.3 | -78.8 | -33.3 | 0 | 0 | 0 | 112.8 | C691 C692 L693 T697 A698 R740 A743 S744 Q747 E812 | C691-N695 PolarHBondContact O-N 3.3Å; C691-N695 PolarHBondContact O-ND2 3.16Å; C692-N695 PolarHBondContact O-N 3.43Å; L693-N695 VanDerWaalsContact C-N 3.33Å; L693-N695 PolarHBondContact O-N 3.2Å; N695-T697 VanDerWaalsContact C-N 3.29Å; N695-T697 PolarHBondContact O-N 3.44Å; N695-A698 WeakPolarHBondContact O-CB 3.17Å; N695-A698 PolarHBondContact O-N 3.38Å; N695-R740 WeakPolarHBondContact OD1-CG 3.42Å; N695-R740 PolarHBondContact OD1-O 3.39Å; N695-A743 WeakPolarHBondContact OD1-CB 3.42Å; N695-S744 WeakPolarHBondContact ND2-CA 3.16Å; N695-S744 PolarHBondContact ND2-N 3.09Å; N695-Q747 PolarHBondContact ND2-OE1 2.95Å; N695-E812 HydrophobicContact CB-CG 4.32Å |
| 696 | G | 88.7 | Confident | 90.2 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.4 | -31.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | C692 L693 I694 P700 | C692-G696 PolarHBondContact O-N 2.88Å; L693-G696 PolarHBondContact O-N 2.88Å; L693-G696 VanDerWaalsContact O-N 3.15Å; I694-G696 VanDerWaalsContact C-N 3.34Å; I694-G696 PolarHBondContact O-N 3.15Å; G696-P700 WeakPolarHBondContact O-CD 3.32Å |
| 697 | T | 90.5 | Very high | 90.2 | Very high | 52 Ų | 52 | 30.6 Ų | 30.6 | 32% | 0.319 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -79.8 | -21.1 | 176 | 62.3 | 0 | 0 | 0 | 0 | 114.1 | L693 I694 N695 Q699 P700 A701 M819 | L693-T697 VanDerWaalsContact O-CG2 3.31Å; L693-T697 WeakPolarHBondContact O-CG2 3.23Å; L693-T697 PolarHBondContact O-N 3.24Å; L693-T697 PolarHBondContact O-OG1 2.81Å; I694-T697 PolarHBondContact O-N 3.09Å; I694-T697 PolarHBondContact O-OG1 3.08Å; N695-T697 VanDerWaalsContact C-N 3.29Å; N695-T697 PolarHBondContact O-N 3.44Å; T697-Q699 VanDerWaalsContact C-N 3.29Å; T697-Q699 PolarHBondContact O-N 3.02Å; T697-P700 WeakPolarHBondContact O-CD 3.34Å; T697-A701 WeakPolarHBondContact O-CB 3.44Å; T697-A701 PolarHBondContact O-N 2.91Å; T697-M819 HydrophobicContact CG2-CG 4.24Å |
| 698 | A | 89.3 | Confident | 90.1 | Very high | 6 Ų | 6 | 28.7 Ų | 28.7 | 5% | 0.05 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.5 | -35.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I694 N695 F702 I736 R740 | I694-A698 PolarHBondContact O-N 3.08Å; I694-A698 VanDerWaalsContact O-N 3.09Å; N695-A698 WeakPolarHBondContact O-CB 3.17Å; N695-A698 PolarHBondContact O-N 3.38Å; A698-F702 WeakPolarHBondContact O-CB 3.39Å; A698-F702 PolarHBondContact O-N 3.35Å; A698-I736 HydrophobicContact CB-CG2 4.1Å; A698-R740 HydrophobicContact CB-CB 4.24Å; A698-R740 HydrophobicContact CB-CG 4.21Å |
| 699 | Q | 86.4 | Confident | 90 | Very high | 42 Ų | 42 | 28.7 Ų | 28.7 | 20% | 0.196 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -76.6 | -43.7 | -177.8 | -177 | 169.2 | -4.8 | 0 | 0 | 113.4 | T697 A701 F702 A703 L816 M955 | T697-Q699 VanDerWaalsContact C-N 3.29Å; T697-Q699 PolarHBondContact O-N 3.02Å; Q699-A701 VanDerWaalsContact C-N 3.35Å; Q699-F702 PolarHBondContact O-N 3.49Å; Q699-A703 PolarHBondContact O-N 3.38Å; Q699-L816 HydrophobicContact CB-CD1 4.05Å; Q699-L816 HydrophobicContact CG-CD1 4.13Å; Q699-M955 HydrophobicContact CG-CB 4.16Å; Q699-M955 HydrophobicContact CG-CG 4.46Å; Q699-M955 HydrophobicContact CG-SD 3.78Å; Q699-M955 PolarHBondContact NE2-O 3.19Å |
| 700 | P | 89.6 | Confident | 89.9 | Confident | 3 Ų | 3 | 27.5 Ų | 27.5 | 2% | 0.019 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.2 | -39.3 | 168.5 | -25.1 | 35.1 | 0 | 0 | 0 | 113.1 | G696 T697 F702 A703 L704 L816 M819 I823 | G696-P700 WeakPolarHBondContact O-CD 3.32Å; T697-P700 WeakPolarHBondContact O-CD 3.34Å; P700-F702 VanDerWaalsContact C-N 3.32Å; P700-F702 PolarHBondContact O-N 2.9Å; P700-A703 WeakPolarHBondContact O-CB 3.41Å; P700-A703 PolarHBondContact O-N 3.5Å; P700-A703 VanDerWaalsContact O-N 3.15Å; P700-L704 PolarHBondContact O-N 2.95Å; P700-L816 HydrophobicContact CG-CD1 3.63Å; P700-M819 HydrophobicContact CB-CB 4.23Å; P700-M819 HydrophobicContact CG-CB 3.92Å; P700-I823 HydrophobicContact CB-CD1 3.75Å |
| 701 | A | 91 | Very high | 89.6 | Confident | 34 Ų | 34 | 23.4 Ų | 23.4 | 28% | 0.281 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -62.2 | -41.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | T697 Q699 L704 L705 I736 | T697-A701 WeakPolarHBondContact O-CB 3.44Å; T697-A701 PolarHBondContact O-N 2.91Å; Q699-A701 VanDerWaalsContact C-N 3.35Å; A701-L704 PolarHBondContact O-N 3.37Å; A701-L705 PolarHBondContact O-N 3.27Å; A701-L705 VanDerWaalsContact O-N 3.12Å; A701-I736 HydrophobicContact CB-CD1 3.72Å |
| 702 | F | 88.9 | Confident | 89.3 | Confident | 12 Ų | 12 | 22.9 Ų | 22.9 | 5% | 0.053 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.7 | -41.5 | 171.2 | 176.7 | -106.6 | 0 | 0 | 0 | 113 | F272 F300 A698 Q699 P700 L704 L705 Y706 M733 M955 | F272-F702 HydrophobicContact CD1-CB 4.23Å; F272-F702 AromaticContact CD1-CD2 3.35Å; F272-F702 HydrophobicContact CD1-CD2 3.35Å; F272-F702 AromaticContact CD1-CE2 3.75Å; F272-F702 HydrophobicContact CD1-CE2 3.75Å; F272-F702 AromaticContact CD1-CG 3.86Å; F272-F702 HydrophobicContact CD1-CG 3.86Å; F272-F702 HydrophobicContact CE1-CB 3.47Å; F272-F702 VanDerWaalsContact CE1-CB 3.47Å; F272-F702 HydrophobicContact CE1-CD1 4.07Å; F272-F702 AromaticContact CE1-CD2 3.41Å; F272-F702 HydrophobicContact CE1-CD2 3.41Å; F272-F702 VanDerWaalsContact CE1-CD2 3.41Å; F272-F702 HydrophobicContact CE1-CE2 4.09Å; F272-F702 AromaticContact CE1-CG 3.38Å; F272-F702 HydrophobicContact CE1-CG 3.38Å; F272-F702 HydrophobicContact CZ-CB 4.34Å; F300-F702 HydrophobicContact CZ-CZ 4.16Å; A698-F702 WeakPolarHBondContact O-CB 3.39Å; A698-F702 PolarHBondContact O-N 3.35Å; Q699-F702 PolarHBondContact O-N 3.49Å; P700-F702 VanDerWaalsContact C-N 3.32Å; P700-F702 PolarHBondContact O-N 2.9Å; F702-L704 VanDerWaalsContact C-N 3.26Å; F702-L704 PolarHBondContact O-N 3.22Å; F702-L705 PolarHBondContact O-N 3.26Å; F702-Y706 WeakPolarHBondContact O-CB 3.06Å; F702-Y706 PolarHBondContact O-N 2.95Å; F702-M733 HydrophobicContact CD2-CG 4.34Å; F702-M733 HydrophobicContact CE2-CE 4.22Å; F702-M733 HydrophobicContact CE2-CG 4.32Å; F702-M733 HydrophobicContact CE2-SD 4.01Å; F702-M955 HydrophobicContact CD1-CE 3.89Å; F702-M955 HydrophobicContact CD1-SD 4.39Å; F702-M955 HydrophobicContact CE1-CE 3.97Å |
| 703 | A | 88.3 | Confident | 89.1 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58 | -41.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q699 P700 T707 A951 T952 M955 | Q699-A703 PolarHBondContact O-N 3.38Å; P700-A703 WeakPolarHBondContact O-CB 3.41Å; P700-A703 PolarHBondContact O-N 3.5Å; P700-A703 VanDerWaalsContact O-N 3.15Å; A703-T707 WeakPolarHBondContact O-CB 3.3Å; A703-T707 WeakPolarHBondContact O-CG2 3.5Å; A703-T707 PolarHBondContact O-N 3.4Å; A703-T707 PolarHBondContact O-OG1 2.87Å; A703-T707 VanDerWaalsContact O-OG1 3.1Å; A703-A951 HydrophobicContact CB-CB 4.36Å; A703-T952 HydrophobicContact CB-CG2 3.78Å; A703-M955 HydrophobicContact CB-CE 4.49Å; A703-M955 HydrophobicContact CB-SD 3.93Å |
| 704 | L | 90.8 | Very high | 88.5 | Confident | 46 Ų | 46 | 22.3 Ų | 22.3 | 24% | 0.241 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.7 | -53 | 173.7 | -71 | 174.1 | 0 | 0 | 0 | 111.8 | P700 A701 F702 Y706 T707 E708 I823 Y827 R948 | P700-L704 PolarHBondContact O-N 2.95Å; A701-L704 PolarHBondContact O-N 3.37Å; F702-L704 VanDerWaalsContact C-N 3.26Å; F702-L704 PolarHBondContact O-N 3.22Å; L704-Y706 VanDerWaalsContact C-N 3.32Å; L704-Y706 PolarHBondContact O-N 3.16Å; L704-T707 WeakPolarHBondContact CA-OG1 3.3Å; L704-T707 PolarHBondContact O-N 2.66Å; L704-T707 PolarHBondContact O-OG1 3.32Å; L704-E708 PolarHBondContact O-N 3.07Å; L704-I823 HydrophobicContact CD1-CD1 3.96Å; L704-I823 HydrophobicContact CD2-CG2 3.77Å; L704-I823 HydrophobicContact CG-CD1 4.31Å; L704-I823 HydrophobicContact CG-CG2 4.45Å; L704-Y827 HydrophobicContact CD2-CE2 3.94Å; L704-R948 HydrophobicContact CD2-CG 4.47Å |
| 705 | L | 91.4 | Very high | 88 | Confident | 15 Ų | 15 | 21.5 Ų | 21.5 | 8% | 0.079 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.2 | -41.7 | 178.7 | -67.6 | -175.1 | 0 | 0 | 0 | 112.9 | A701 F702 T707 E708 I729 M732 M733 I736 | A701-L705 PolarHBondContact O-N 3.27Å; A701-L705 VanDerWaalsContact O-N 3.12Å; F702-L705 PolarHBondContact O-N 3.26Å; L705-T707 VanDerWaalsContact C-N 3.27Å; L705-T707 PolarHBondContact O-N 3.47Å; L705-E708 PolarHBondContact O-N 2.84Å; L705-I729 HydrophobicContact CB-CG2 4.39Å; L705-M732 HydrophobicContact CD1-CB 3.65Å; L705-M732 HydrophobicContact CD2-CB 4.08Å; L705-M732 HydrophobicContact CD2-CE 3.9Å; L705-M732 HydrophobicContact CD2-SD 3.98Å; L705-M733 HydrophobicContact CB-CE 3.9Å; L705-M733 HydrophobicContact CB-CG 4.1Å; L705-M733 HydrophobicContact CD1-CB 4.44Å; L705-M733 HydrophobicContact CD1-CG 3.78Å; L705-I736 HydrophobicContact CD1-CD1 3.43Å; L705-I736 VanDerWaalsContact CD1-CD1 3.43Å; L705-I736 HydrophobicContact CD1-CG1 4.4Å; L705-I736 HydrophobicContact CG-CD1 4.22Å |
| 706 | Y | 88.6 | Confident | 87.2 | Confident | 17 Ų | 17 | 26 Ų | 26 | 7% | 0.067 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.8 | -41.9 | 174.3 | 164.2 | -118.4 | 0 | 0 | 0 | 110.9 | F279 I297 F300 F702 L704 V709 Y710 A951 | F279-Y706 HydrophobicContact CE1-CD2 4.4Å; F279-Y706 HydrophobicContact CE1-CE2 4.34Å; F279-Y706 AromaticContact CE2-CD2 3.92Å; F279-Y706 HydrophobicContact CE2-CD2 3.92Å; F279-Y706 AromaticContact CZ-CD2 3.47Å; F279-Y706 HydrophobicContact CZ-CD2 3.47Å; F279-Y706 VanDerWaalsContact CZ-CD2 3.47Å; F279-Y706 AromaticContact CZ-CE2 3.67Å; F279-Y706 HydrophobicContact CZ-CE2 3.67Å; I297-Y706 HydrophobicContact CD1-CE2 3.84Å; F300-Y706 HydrophobicContact CD1-CE2 4.1Å; F300-Y706 HydrophobicContact CE1-CD2 4.15Å; F300-Y706 AromaticContact CE1-CE2 3.84Å; F300-Y706 HydrophobicContact CE1-CE2 3.84Å; F702-Y706 WeakPolarHBondContact O-CB 3.06Å; F702-Y706 PolarHBondContact O-N 2.95Å; L704-Y706 VanDerWaalsContact C-N 3.32Å; L704-Y706 PolarHBondContact O-N 3.16Å; Y706-V709 VanDerWaalsContact O-CB 3.31Å; Y706-V709 WeakPolarHBondContact O-CB 3.41Å; Y706-V709 WeakPolarHBondContact O-CG2 3.22Å; Y706-V709 PolarHBondContact O-N 3.16Å; Y706-Y710 HydrophobicContact CE1-CE2 4.05Å; Y706-Y710 HydrophobicContact CE2-CE2 4.15Å; Y706-Y710 AromaticContact CZ-CE2 3.8Å; Y706-Y710 PolarHBondContact OH-OH 3.38Å; Y706-A951 HydrophobicContact CD1-CB 4.09Å; Y706-A951 HydrophobicContact CE1-CB 4.12Å |
| 707 | T | 90.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -74.3 | -26.3 | -177.7 | 59.4 | 0 | 0 | 0 | 0 | 114 | A703 L704 L705 V709 Y710 F947 R948 A951 | A703-T707 WeakPolarHBondContact O-CB 3.3Å; A703-T707 WeakPolarHBondContact O-CG2 3.5Å; A703-T707 PolarHBondContact O-N 3.4Å; A703-T707 PolarHBondContact O-OG1 2.87Å; A703-T707 VanDerWaalsContact O-OG1 3.1Å; L704-T707 WeakPolarHBondContact CA-OG1 3.3Å; L704-T707 PolarHBondContact O-N 2.66Å; L704-T707 PolarHBondContact O-OG1 3.32Å; L705-T707 VanDerWaalsContact C-N 3.27Å; L705-T707 PolarHBondContact O-N 3.47Å; T707-V709 PolarHBondContact O-N 3.26Å; T707-Y710 WeakPolarHBondContact O-CB 3.47Å; T707-Y710 PolarHBondContact O-N 3.4Å; T707-Y710 VanDerWaalsContact O-N 3.11Å; T707-F947 HydrophobicContact CG2-CB 4.45Å; T707-R948 HydrophobicContact CG2-CB 4.39Å; T707-R948 HydrophobicContact CG2-CG 3.91Å; T707-R948 WeakPolarHBondContact OG1-CG 3.37Å; T707-A951 HydrophobicContact CG2-CB 3.83Å |
| 708 | E | 90 | Very high | 86.1 | Confident | 54 Ų | 54 | 33.1 Ų | 33.1 | 25% | 0.252 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.7 | -27.2 | 171.2 | -66.9 | -57.2 | 155.2 | 0 | 0 | 112.5 | L704 L705 Y710 D711 I712 I729 R948 | L704-E708 PolarHBondContact O-N 3.07Å; L705-E708 PolarHBondContact O-N 2.84Å; E708-Y710 PolarHBondContact O-N 3.13Å; E708-D711 WeakPolarHBondContact O-CB 3.13Å; E708-D711 PolarHBondContact O-N 2.63Å; E708-I712 PolarHBondContact O-N 3.44Å; E708-I712 VanDerWaalsContact O-N 3.14Å; E708-I729 HydrophobicContact CB-CD1 3.64Å; E708-I729 HydrophobicContact CB-CG1 4.5Å; E708-I729 HydrophobicContact CG-CD1 4.42Å; E708-R948 IonicContact OE1-CZ 3.33Å; E708-R948 IonicContact OE1-NE 2.86Å; E708-R948 IonicContact OE1-NH2 3.51Å; E708-R948 PolarHBondContact OE1-NH2 2.95Å; E708-R948 IonicContact OE2-NH2 3.9Å; E708-R948 PolarHBondContact OE2-NH2 3.34Å |
| 709 | V | 89.4 | Confident | 85.8 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.8 | -30.9 | 176.1 | -175.5 | 0 | 0 | 0 | 0 | 110.9 | F279 Y706 T707 I712 F713 I726 I729 M733 | F279-V709 HydrophobicContact CD1-CG1 4.04Å; F279-V709 HydrophobicContact CD1-CG2 4.5Å; F279-V709 HydrophobicContact CD2-CG2 4.34Å; F279-V709 HydrophobicContact CE1-CG1 4.47Å; F279-V709 HydrophobicContact CG-CG1 4.46Å; F279-V709 HydrophobicContact CG-CG2 4.27Å; Y706-V709 VanDerWaalsContact O-CB 3.31Å; Y706-V709 WeakPolarHBondContact O-CB 3.41Å; Y706-V709 WeakPolarHBondContact O-CG2 3.22Å; Y706-V709 PolarHBondContact O-N 3.16Å; T707-V709 PolarHBondContact O-N 3.26Å; V709-I712 PolarHBondContact O-N 2.93Å; V709-F713 HydrophobicContact CG1-CE1 3.94Å; V709-F713 HydrophobicContact CG1-CE2 3.9Å; V709-F713 HydrophobicContact CG1-CZ 3.53Å; V709-F713 WeakPolarHBondContact O-CD2 3.42Å; V709-F713 VanDerWaalsContact O-CG 3.31Å; V709-F713 WeakPolarHBondContact O-CG 3.33Å; V709-F713 PolarHBondContact O-N 2.75Å; V709-F713 VanDerWaalsContact O-N 3.14Å; V709-I726 HydrophobicContact CG2-CD1 4.45Å; V709-I729 HydrophobicContact CG2-CG2 4.33Å; V709-M733 HydrophobicContact CG2-CE 4.28Å |
| 710 | Y | 87.6 | Confident | 85.7 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.1 | -33.3 | 174.1 | -66.3 | -86.4 | 0 | 0 | 0 | 113.2 | F59 V63 I297 Y706 T707 E708 F713 F947 | F59-Y710 WeakPolarHBondContact CE1-OH 3.28Å; F59-Y710 WeakPolarHBondContact CZ-OH 3.37Å; V63-Y710 HydrophobicContact CB-CE1 4.41Å; V63-Y710 HydrophobicContact CG1-CD1 4.13Å; V63-Y710 HydrophobicContact CG1-CE1 3.74Å; V63-Y710 HydrophobicContact CG2-CE1 3.76Å; I297-Y710 HydrophobicContact CD1-CE1 4.09Å; I297-Y710 HydrophobicContact CD1-CE2 4.25Å; I297-Y710 HydrophobicContact CG1-CE1 4.01Å; Y706-Y710 HydrophobicContact CE1-CE2 4.05Å; Y706-Y710 HydrophobicContact CE2-CE2 4.15Å; Y706-Y710 AromaticContact CZ-CE2 3.8Å; Y706-Y710 PolarHBondContact OH-OH 3.38Å; T707-Y710 WeakPolarHBondContact O-CB 3.47Å; T707-Y710 PolarHBondContact O-N 3.4Å; T707-Y710 VanDerWaalsContact O-N 3.11Å; E708-Y710 PolarHBondContact O-N 3.13Å; Y710-F713 HydrophobicContact CD1-CD2 4.12Å; Y710-F713 HydrophobicContact CD1-CE2 4.31Å; Y710-F713 PolarHBondContact O-N 2.97Å; Y710-F947 HydrophobicContact CD1-CD1 4.42Å; Y710-F947 AromaticContact CD1-CD2 3.74Å; Y710-F947 HydrophobicContact CD1-CD2 3.74Å; Y710-F947 HydrophobicContact CD1-CE1 4.47Å; Y710-F947 AromaticContact CD1-CE2 3.78Å; Y710-F947 HydrophobicContact CD1-CE2 3.78Å; Y710-F947 HydrophobicContact CD1-CG 4.09Å; Y710-F947 HydrophobicContact CD1-CZ 4.17Å; Y710-F947 HydrophobicContact CD2-CB 4Å; Y710-F947 HydrophobicContact CD2-CD2 4.31Å; Y710-F947 HydrophobicContact CD2-CG 4.11Å; Y710-F947 AromaticContact CE1-CD1 4Å; Y710-F947 HydrophobicContact CE1-CD1 4Å; Y710-F947 HydrophobicContact CE1-CD2 4.14Å; Y710-F947 AromaticContact CE1-CE1 3.97Å; Y710-F947 HydrophobicContact CE1-CE1 3.97Å; Y710-F947 HydrophobicContact CE1-CE2 4.1Å; Y710-F947 HydrophobicContact CE1-CG 4.1Å; Y710-F947 HydrophobicContact CE1-CZ 4.03Å; Y710-F947 HydrophobicContact CE2-CB 4.09Å; Y710-F947 HydrophobicContact CE2-CD1 4.32Å; Y710-F947 HydrophobicContact CE2-CG 4.12Å; Y710-F947 HydrophobicContact CG-CB 4.36Å; Y710-F947 AromaticContact CG-CD2 3.82Å; Y710-F947 HydrophobicContact CG-CD2 3.82Å; Y710-F947 HydrophobicContact CG-CE2 4.31Å; Y710-F947 HydrophobicContact CG-CG 4.08Å; Y710-F947 AromaticContact CZ-CD1 3.91Å |
| 711 | D | 85.1 | Confident | 85.6 | Confident | 49 Ų | 49 | 43.1 Ų | 43.1 | 26% | 0.262 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.2 | -43.2 | 173.9 | -164.2 | 54.1 | 0 | 0 | 0 | 110.4 | E708 F713 T714 R725 V944 | E708-D711 WeakPolarHBondContact O-CB 3.13Å; E708-D711 PolarHBondContact O-N 2.63Å; D711-F713 PolarHBondContact O-N 2.81Å; D711-T714 PolarHBondContact O-N 3.15Å; D711-T714 PolarHBondContact O-OG1 2.88Å; D711-R725 IonicContact OD2-NH1 3.63Å; D711-V944 HydrophobicContact CB-CG2 3.74Å |
| 712 | I | 87.3 | Confident | 85.4 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.1 | -37.6 | 174.9 | -60.9 | 175 | 0 | 0 | 0 | 111.3 | I283 E708 V709 T714 L715 M722 R725 I726 I729 | I283-I712 HydrophobicContact CD1-CG2 3.83Å; E708-I712 PolarHBondContact O-N 3.44Å; E708-I712 VanDerWaalsContact O-N 3.14Å; V709-I712 PolarHBondContact O-N 2.93Å; I712-T714 PolarHBondContact O-N 3.05Å; I712-L715 PolarHBondContact O-N 3.04Å; I712-L715 VanDerWaalsContact O-N 3.09Å; I712-M722 HydrophobicContact CG2-CB 4.02Å; I712-M722 HydrophobicContact CG2-CE 4.26Å; I712-M722 HydrophobicContact CG2-CG 4.03Å; I712-R725 HydrophobicContact CD1-CB 3.99Å; I712-R725 HydrophobicContact CG1-CB 4.19Å; I712-I726 HydrophobicContact CD1-CB 4.17Å; I712-I726 HydrophobicContact CD1-CD1 4.26Å; I712-I729 HydrophobicContact CD1-CD1 3.67Å; I712-I729 HydrophobicContact CG1-CD1 4.48Å |
| 713 | F | 84.4 | Confident | 85.3 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.3 | -23.2 | 179.2 | -63.2 | -37.5 | 0 | 0 | 0 | 114.1 | T67 I283 M286 A293 V296 I297 V709 Y710 D711 R716 | T67-F713 HydrophobicContact CG2-CB 4.13Å; T67-F713 HydrophobicContact CG2-CD2 4.49Å; I283-F713 HydrophobicContact CD1-CD1 3.59Å; I283-F713 HydrophobicContact CD1-CE1 3.36Å; I283-F713 HydrophobicContact CD1-CZ 4.5Å; I283-F713 HydrophobicContact CG1-CE1 4.47Å; M286-F713 HydrophobicContact CE-CB 4.5Å; M286-F713 HydrophobicContact CE-CD1 3.67Å; M286-F713 HydrophobicContact CE-CE1 4.45Å; M286-F713 HydrophobicContact SD-CD1 3.97Å; M286-F713 HydrophobicContact SD-CE1 4.38Å; A293-F713 HydrophobicContact CB-CB 3.82Å; A293-F713 HydrophobicContact CB-CD1 3.89Å; A293-F713 HydrophobicContact CB-CD2 3.57Å; A293-F713 HydrophobicContact CB-CE1 4.27Å; A293-F713 HydrophobicContact CB-CE2 4.02Å; A293-F713 HydrophobicContact CB-CG 3.51Å; A293-F713 HydrophobicContact CB-CZ 4.33Å; V296-F713 HydrophobicContact CB-CZ 4.36Å; V296-F713 HydrophobicContact CG1-CZ 4.39Å; I297-F713 HydrophobicContact CD1-CE2 3.87Å; I297-F713 HydrophobicContact CD1-CZ 4.22Å; I297-F713 HydrophobicContact CG1-CE2 3.69Å; I297-F713 HydrophobicContact CG1-CZ 4.11Å; V709-F713 HydrophobicContact CG1-CE1 3.94Å; V709-F713 HydrophobicContact CG1-CE2 3.9Å; V709-F713 HydrophobicContact CG1-CZ 3.53Å; V709-F713 WeakPolarHBondContact O-CD2 3.42Å; V709-F713 VanDerWaalsContact O-CG 3.31Å; V709-F713 WeakPolarHBondContact O-CG 3.33Å; V709-F713 PolarHBondContact O-N 2.75Å; V709-F713 VanDerWaalsContact O-N 3.14Å; Y710-F713 HydrophobicContact CD1-CD2 4.12Å; Y710-F713 HydrophobicContact CD1-CE2 4.31Å; Y710-F713 PolarHBondContact O-N 2.97Å; D711-F713 PolarHBondContact O-N 2.81Å; F713-R716 WeakPolarHBondContact O-CG 3.36Å |
| 714 | T | 79.7 | Confident | 85.3 | Confident | 70 Ų | 70 | 47.4 Ų | 47.4 | 43% | 0.429 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -82.8 | -14.5 | 176.8 | 69.6 | 0 | 0 | 0 | 0 | 113.3 | D711 I712 R716 | D711-T714 PolarHBondContact O-N 3.15Å; D711-T714 PolarHBondContact O-OG1 2.88Å; I712-T714 PolarHBondContact O-N 3.05Å; T714-R716 VanDerWaalsContact C-N 3.26Å; T714-R716 PolarHBondContact O-N 2.63Å |
| 715 | L | 81.2 | Confident | 85.3 | Confident | 40 Ų | 40 | 50.1 Ų | 50.1 | 21% | 0.209 | 27% | 0.273 | C | S | . | . | trans | -88.1 | 30 | -176.4 | -64.7 | 172 | 0 | 0 | 0 | 113.7 | I712 S717 N718 L721 M722 | I712-L715 PolarHBondContact O-N 3.04Å; I712-L715 VanDerWaalsContact O-N 3.09Å; L715-S717 PolarHBondContact O-N 3.33Å; L715-N718 PolarHBondContact O-N 3.44Å; L715-L721 HydrophobicContact CD1-CD2 4.15Å; L715-M722 HydrophobicContact CB-CG 4.11Å | ||
| 716 | R | 72.8 | Confident | 85.3 | Confident | 101 Ų | 101 | 49.5 Ų | 49.5 | 38% | 0.381 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -27.1 | -174.3 | -68.8 | -171.2 | -176.6 | -162 | 1.2 | 114.1 | F713 T714 N718 | F713-R716 WeakPolarHBondContact O-CG 3.36Å; T714-R716 VanDerWaalsContact C-N 3.26Å; T714-R716 PolarHBondContact O-N 2.63Å; R716-N718 PolarHBondContact O-N 2.88Å |
| 717 | S | 73.1 | Confident | 85.4 | Confident | 111 Ų | 111 | 51.7 Ų | 51.7 | 78% | 0.776 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -18.1 | 178.9 | -48.1 | 0 | 0 | 0 | 0 | 114.4 | L715 | L715-S717 PolarHBondContact O-N 3.33Š|
| 718 | N | 84.1 | Confident | 85.5 | Confident | 92 Ų | 92 | 56.8 Ų | 56.8 | 49% | 0.492 | 32% | 0.315 | S | S | . | . | trans | -128.8 | 80 | -173.9 | -68.7 | -32.1 | 0 | 0 | 0 | 112 | L715 R716 D720 L721 M722 | L715-N718 PolarHBondContact O-N 3.44Å; R716-N718 PolarHBondContact O-N 2.88Å; N718-D720 VanDerWaalsContact C-N 3.31Å; N718-D720 PolarHBondContact O-N 2.95Å; N718-L721 HydrophobicContact CB-CB 3.9Å; N718-L721 PolarHBondContact O-N 3.48Å; N718-L721 VanDerWaalsContact O-N 3.14Å; N718-M722 WeakPolarHBondContact O-CG 3.49Å; N718-M722 PolarHBondContact O-N 2.99Å; N718-M722 VanDerWaalsContact O-N 3.12Å | ||
| 719 | P | 82 | Confident | 85.6 | Confident | 56 Ų | 56 | 55 Ų | 55 | 36% | 0.364 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.1 | -33.7 | -175.2 | 22.9 | -33.5 | 0 | 0 | 0 | 114.1 | I287 M722 S723 | I287-P719 HydrophobicContact CD1-CB 4.43Å; I287-P719 HydrophobicContact CG1-CB 4.4Å; I287-P719 HydrophobicContact CG2-CB 4.04Å; P719-M722 WeakPolarHBondContact O-CB 3.46Å; P719-M722 PolarHBondContact O-N 3.06Å; P719-S723 PolarHBondContact O-N 3.47Å; P719-S723 PolarHBondContact O-OG 3.29Å |
| 720 | D | 85.1 | Confident | 85.7 | Confident | 140 Ų | 140 | 55.5 Ų | 55.5 | 75% | 0.749 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -66 | -40.7 | 177.2 | -65.5 | -33.2 | 0 | 0 | 0 | 111.8 | N718 M722 S723 S724 | N718-D720 VanDerWaalsContact C-N 3.31Å; N718-D720 PolarHBondContact O-N 2.95Å; D720-M722 VanDerWaalsContact C-N 3.34Å; D720-S723 PolarHBondContact O-N 3.39Å; D720-S724 WeakPolarHBondContact O-CB 3.45Å; D720-S724 PolarHBondContact O-N 3.22Å |
| 721 | L | 87.3 | Confident | 85.9 | Confident | 64 Ų | 64 | 57.4 Ų | 57.4 | 34% | 0.335 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.3 | -37.8 | 177.5 | -173.3 | 65.1 | 0 | 0 | 0 | 111 | L715 N718 R725 | L715-L721 HydrophobicContact CD1-CD2 4.15Å; N718-L721 HydrophobicContact CB-CB 3.9Å; N718-L721 PolarHBondContact O-N 3.48Å; N718-L721 VanDerWaalsContact O-N 3.14Å; L721-R725 HydrophobicContact CD1-CG 4.33Å; L721-R725 HydrophobicContact CG-CG 4.44Å; L721-R725 WeakPolarHBondContact O-CB 3.34Å; L721-R725 WeakPolarHBondContact O-CG 3.48Å; L721-R725 PolarHBondContact O-N 3.25Å |
| 722 | M | 86.3 | Confident | 86.4 | Confident | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.025 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.2 | -48.3 | 175.3 | -67.9 | 173.9 | 68.2 | 0 | 0 | 111.5 | I283 M286 I287 I712 L715 N718 P719 D720 R725 I726 | I283-M722 HydrophobicContact CD1-CE 4.45Å; I283-M722 HydrophobicContact CG2-CB 4.35Å; I283-M722 HydrophobicContact CG2-CE 4.28Å; M286-M722 HydrophobicContact CE-CE 3.12Å; I287-M722 HydrophobicContact CD1-CB 4.3Å; I287-M722 HydrophobicContact CG1-CE 4.42Å; I712-M722 HydrophobicContact CG2-CB 4.02Å; I712-M722 HydrophobicContact CG2-CE 4.26Å; I712-M722 HydrophobicContact CG2-CG 4.03Å; L715-M722 HydrophobicContact CB-CG 4.11Å; N718-M722 WeakPolarHBondContact O-CG 3.49Å; N718-M722 PolarHBondContact O-N 2.99Å; N718-M722 VanDerWaalsContact O-N 3.12Å; P719-M722 WeakPolarHBondContact O-CB 3.46Å; P719-M722 PolarHBondContact O-N 3.06Å; D720-M722 VanDerWaalsContact C-N 3.34Å; M722-R725 PolarHBondContact O-N 3.36Å; M722-I726 VanDerWaalsContact O-CG2 3.28Å; M722-I726 WeakPolarHBondContact O-CG2 3.47Å; M722-I726 PolarHBondContact O-N 3.36Å |
| 723 | S | 85.9 | Confident | 86.6 | Confident | 56 Ų | 56 | 59.1 Ų | 59.1 | 39% | 0.392 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.8 | -41.4 | -179.7 | -63.9 | 0 | 0 | 0 | 0 | 112.4 | I287 P719 D720 I726 S727 | I287-S723 VanDerWaalsContact CD1-OG 3.28Å; I287-S723 WeakPolarHBondContact CD1-OG 3.33Å; P719-S723 PolarHBondContact O-N 3.47Å; P719-S723 PolarHBondContact O-OG 3.29Å; D720-S723 PolarHBondContact O-N 3.39Å; S723-I726 WeakPolarHBondContact O-CG2 3.45Å; S723-S727 WeakPolarHBondContact O-CB 3.12Å; S723-S727 PolarHBondContact O-N 3.49Å; S723-S727 PolarHBondContact O-OG 3.32Å |
| 724 | S | 88.9 | Confident | 87.1 | Confident | 75 Ų | 75 | 61.8 Ų | 61.8 | 52% | 0.524 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.7 | -48.5 | 176.2 | -174.9 | 0 | 0 | 0 | 0 | 111.6 | D720 I726 S727 L728 | D720-S724 WeakPolarHBondContact O-CB 3.45Å; D720-S724 PolarHBondContact O-N 3.22Å; S724-I726 PolarHBondContact O-N 2.75Å; S724-S727 PolarHBondContact O-N 2.87Å; S724-S727 PolarHBondContact O-OG 3.38Å; S724-L728 PolarHBondContact O-N 3.48Å |
| 725 | R | 90.6 | Very high | 87.7 | Confident | 103 Ų | 103 | 63.4 Ų | 63.4 | 39% | 0.389 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 179.8 | -73.9 | -173.9 | 179 | -157.1 | 3.5 | 113 | D711 I712 L721 M722 L728 I729 | D711-R725 IonicContact OD2-NH1 3.63Å; I712-R725 HydrophobicContact CD1-CB 3.99Å; I712-R725 HydrophobicContact CG1-CB 4.19Å; L721-R725 HydrophobicContact CD1-CG 4.33Å; L721-R725 HydrophobicContact CG-CG 4.44Å; L721-R725 WeakPolarHBondContact O-CB 3.34Å; L721-R725 WeakPolarHBondContact O-CG 3.48Å; L721-R725 PolarHBondContact O-N 3.25Å; M722-R725 PolarHBondContact O-N 3.36Å; R725-L728 PolarHBondContact O-N 3.23Å; R725-I729 PolarHBondContact O-N 3.36Å |
| 726 | I | 92.1 | Very high | 88.3 | Confident | 3 Ų | 3 | 62.8 Ų | 62.8 | 2% | 0.015 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.4 | -38.9 | 179.5 | -171.5 | 59.6 | 0 | 0 | 0 | 111.8 | F279 I283 V709 I712 M722 S723 S724 L728 I729 S730 | F279-I726 HydrophobicContact CB-CD1 3.9Å; I283-I726 HydrophobicContact CB-CB 4.31Å; I283-I726 HydrophobicContact CB-CG1 4.1Å; I283-I726 HydrophobicContact CB-CG2 4.15Å; I283-I726 HydrophobicContact CG1-CB 4.13Å; I283-I726 HydrophobicContact CG1-CD1 4.01Å; I283-I726 HydrophobicContact CG1-CG1 3.77Å; I283-I726 HydrophobicContact CG2-CB 4.27Å; I283-I726 HydrophobicContact CG2-CG2 3.88Å; V709-I726 HydrophobicContact CG2-CD1 4.45Å; I712-I726 HydrophobicContact CD1-CB 4.17Å; I712-I726 HydrophobicContact CD1-CD1 4.26Å; M722-I726 VanDerWaalsContact O-CG2 3.28Å; M722-I726 WeakPolarHBondContact O-CG2 3.47Å; M722-I726 PolarHBondContact O-N 3.36Å; S723-I726 WeakPolarHBondContact O-CG2 3.45Å; S724-I726 PolarHBondContact O-N 2.75Å; I726-L728 VanDerWaalsContact C-N 3.29Å; I726-L728 PolarHBondContact O-N 2.77Å; I726-I729 PolarHBondContact O-N 3Å; I726-S730 VanDerWaalsContact O-CB 3.3Å; I726-S730 WeakPolarHBondContact O-CB 3.42Å; I726-S730 PolarHBondContact O-N 2.71Å; I726-S730 PolarHBondContact O-OG 3.1Å |
| 727 | S | 90.9 | Very high | 89.2 | Confident | 62 Ų | 62 | 58 Ų | 58 | 43% | 0.434 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.6 | -38.4 | 177.6 | 67.1 | 0 | 0 | 0 | 0 | 111.8 | S723 S724 G731 | S723-S727 WeakPolarHBondContact O-CB 3.12Å; S723-S727 PolarHBondContact O-N 3.49Å; S723-S727 PolarHBondContact O-OG 3.32Å; S724-S727 PolarHBondContact O-N 2.87Å; S724-S727 PolarHBondContact O-OG 3.38Å; S727-G731 PolarHBondContact O-N 3.29Å |
| 728 | L | 92.1 | Very high | 90.2 | Very high | 108 Ų | 108 | 55.9 Ų | 55.9 | 57% | 0.565 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -64.3 | -49.8 | 173.3 | -175.5 | 146.8 | 0 | 0 | 0 | 111.8 | S724 R725 I726 G731 M732 | S724-L728 PolarHBondContact O-N 3.48Å; R725-L728 PolarHBondContact O-N 3.23Å; I726-L728 VanDerWaalsContact C-N 3.29Å; I726-L728 PolarHBondContact O-N 2.77Å; L728-G731 PolarHBondContact O-N 3.33Å; L728-M732 HydrophobicContact CD2-CG 4.31Å; L728-M732 HydrophobicContact CD2-SD 3.51Å; L728-M732 VanDerWaalsContact CD2-SD 3.51Å; L728-M732 WeakPolarHBondContact O-CG 3.31Å; L728-M732 PolarHBondContact O-N 2.8Å |
| 729 | I | 91.8 | Very high | 90.7 | Very high | 15 Ų | 15 | 55.8 Ų | 55.8 | 8% | 0.077 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.8 | -43 | -179.6 | -77.2 | 157.3 | 0 | 0 | 0 | 111.8 | L705 E708 V709 I712 R725 I726 G731 M732 M733 | L705-I729 HydrophobicContact CB-CG2 4.39Å; E708-I729 HydrophobicContact CB-CD1 3.64Å; E708-I729 HydrophobicContact CB-CG1 4.5Å; E708-I729 HydrophobicContact CG-CD1 4.42Å; V709-I729 HydrophobicContact CG2-CG2 4.33Å; I712-I729 HydrophobicContact CD1-CD1 3.67Å; I712-I729 HydrophobicContact CG1-CD1 4.48Å; R725-I729 PolarHBondContact O-N 3.36Å; I726-I729 PolarHBondContact O-N 3Å; I729-G731 VanDerWaalsContact C-N 3.31Å; I729-G731 PolarHBondContact O-N 3.33Å; I729-M732 PolarHBondContact O-N 2.96Å; I729-M733 HydrophobicContact CG2-CE 3.83Å; I729-M733 WeakPolarHBondContact O-CG 3.47Å; I729-M733 PolarHBondContact O-N 3.21Å |
| 730 | S | 91.7 | Very high | 91.1 | Very high | 12 Ų | 12 | 55.1 Ų | 55.1 | 8% | 0.084 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.1 | -40 | 174.3 | -72.2 | 0 | 0 | 0 | 0 | 111.6 | A276 I726 M733 V734 | A276-S730 WeakPolarHBondContact CB-O 3.5Å; A276-S730 PolarHBondContact O-OG 3.24Å; I726-S730 VanDerWaalsContact O-CB 3.3Å; I726-S730 WeakPolarHBondContact O-CB 3.42Å; I726-S730 PolarHBondContact O-N 2.71Å; I726-S730 PolarHBondContact O-OG 3.1Å; S730-M733 PolarHBondContact O-N 2.88Å; S730-V734 WeakPolarHBondContact O-CG2 3.38Å; S730-V734 PolarHBondContact O-N 2.88Å; S730-V734 VanDerWaalsContact O-N 3.15Å |
| 731 | G | 92.5 | Very high | 91.5 | Very high | 42 Ų | 42 | 51.6 Ų | 51.6 | 43% | 0.433 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113 | S727 L728 I729 V734 L735 | S727-G731 PolarHBondContact O-N 3.29Å; L728-G731 PolarHBondContact O-N 3.33Å; I729-G731 VanDerWaalsContact C-N 3.31Å; I729-G731 PolarHBondContact O-N 3.33Å; G731-V734 PolarHBondContact O-N 3.05Å; G731-L735 PolarHBondContact O-N 3.35Å |
| 732 | M | 93.8 | Very high | 91.8 | Very high | 87 Ų | 87 | 51.6 Ų | 51.6 | 43% | 0.429 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.1 | -37.7 | 176 | -67.5 | 177 | 79.2 | 0 | 0 | 112.6 | L705 L728 I729 L735 I736 | L705-M732 HydrophobicContact CD1-CB 3.65Å; L705-M732 HydrophobicContact CD2-CB 4.08Å; L705-M732 HydrophobicContact CD2-CE 3.9Å; L705-M732 HydrophobicContact CD2-SD 3.98Å; L728-M732 HydrophobicContact CD2-CG 4.31Å; L728-M732 HydrophobicContact CD2-SD 3.51Å; L728-M732 VanDerWaalsContact CD2-SD 3.51Å; L728-M732 WeakPolarHBondContact O-CG 3.31Å; L728-M732 PolarHBondContact O-N 2.8Å; I729-M732 PolarHBondContact O-N 2.96Å; M732-L735 WeakPolarHBondContact O-CB 3.4Å; M732-L735 PolarHBondContact O-N 2.93Å; M732-I736 WeakPolarHBondContact O-CG1 3.47Å; M732-I736 PolarHBondContact O-N 2.88Å |
| 733 | M | 92.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 176 | -73.4 | -177.9 | 179 | 0 | 0 | 111.5 | A276 F279 F702 L705 V709 I729 S730 L735 I736 G737 | A276-M733 HydrophobicContact CB-CB 4.06Å; F279-M733 HydrophobicContact CD2-CE 3.85Å; F279-M733 HydrophobicContact CD2-SD 3.93Å; F279-M733 HydrophobicContact CE2-CE 3.99Å; F279-M733 HydrophobicContact CE2-SD 4.35Å; F702-M733 HydrophobicContact CD2-CG 4.34Å; F702-M733 HydrophobicContact CE2-CE 4.22Å; F702-M733 HydrophobicContact CE2-CG 4.32Å; F702-M733 HydrophobicContact CE2-SD 4.01Å; L705-M733 HydrophobicContact CB-CE 3.9Å; L705-M733 HydrophobicContact CB-CG 4.1Å; L705-M733 HydrophobicContact CD1-CB 4.44Å; L705-M733 HydrophobicContact CD1-CG 3.78Å; V709-M733 HydrophobicContact CG2-CE 4.28Å; I729-M733 HydrophobicContact CG2-CE 3.83Å; I729-M733 WeakPolarHBondContact O-CG 3.47Å; I729-M733 PolarHBondContact O-N 3.21Å; S730-M733 PolarHBondContact O-N 2.88Å; M733-L735 VanDerWaalsContact C-N 3.34Å; M733-I736 PolarHBondContact O-N 3.43Å; M733-G737 PolarHBondContact O-N 3.02Å |
| 734 | V | 93.7 | Very high | 92.4 | Very high | 56 Ų | 56 | 49.5 Ų | 49.5 | 34% | 0.339 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 175 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | A276 S730 G731 I736 G737 V738 | A276-V734 HydrophobicContact CB-CG2 3.78Å; S730-V734 WeakPolarHBondContact O-CG2 3.38Å; S730-V734 PolarHBondContact O-N 2.88Å; S730-V734 VanDerWaalsContact O-N 3.15Å; G731-V734 PolarHBondContact O-N 3.05Å; V734-I736 PolarHBondContact O-N 3.21Å; V734-G737 WeakPolarHBondContact O-CA 3.26Å; V734-G737 PolarHBondContact O-N 3.32Å; V734-G737 VanDerWaalsContact O-N 3.09Å; V734-V738 HydrophobicContact CG1-CG2 4.47Å; V734-V738 WeakPolarHBondContact O-CG2 3.21Å; V734-V738 PolarHBondContact O-N 3.12Å |
| 735 | L | 94.1 | Very high | 92.6 | Very high | 103 Ų | 103 | 49.1 Ų | 49.1 | 54% | 0.539 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.9 | -45.9 | 177.1 | -178.3 | 64.1 | 0 | 0 | 0 | 112 | G731 M732 M733 G737 V738 L739 | G731-L735 PolarHBondContact O-N 3.35Å; M732-L735 WeakPolarHBondContact O-CB 3.4Å; M732-L735 PolarHBondContact O-N 2.93Å; M733-L735 VanDerWaalsContact C-N 3.34Å; L735-G737 VanDerWaalsContact C-N 3.28Å; L735-G737 PolarHBondContact O-N 3.3Å; L735-V738 PolarHBondContact O-N 3.19Å; L735-L739 HydrophobicContact CG-CD1 4.19Å; L735-L739 WeakPolarHBondContact O-CB 3.25Å; L735-L739 VanDerWaalsContact O-CG 3.31Å; L735-L739 WeakPolarHBondContact O-CG 3.27Å; L735-L739 PolarHBondContact O-N 2.88Å |
| 736 | I | 93 | Very high | 92.7 | Very high | 27 Ų | 27 | 47 Ų | 47 | 14% | 0.138 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.5 | -39.9 | 174.4 | -68.8 | 178.2 | 0 | 0 | 0 | 110.9 | F272 A698 A701 L705 M732 M733 V734 L739 R740 | F272-I736 HydrophobicContact CE1-CG2 4.49Å; A698-I736 HydrophobicContact CB-CG2 4.1Å; A701-I736 HydrophobicContact CB-CD1 3.72Å; L705-I736 HydrophobicContact CD1-CD1 3.43Å; L705-I736 VanDerWaalsContact CD1-CD1 3.43Å; L705-I736 HydrophobicContact CD1-CG1 4.4Å; L705-I736 HydrophobicContact CG-CD1 4.22Å; M732-I736 WeakPolarHBondContact O-CG1 3.47Å; M732-I736 PolarHBondContact O-N 2.88Å; M733-I736 PolarHBondContact O-N 3.43Å; V734-I736 PolarHBondContact O-N 3.21Å; I736-L739 PolarHBondContact O-N 3.36Å; I736-R740 WeakPolarHBondContact O-CB 3.19Å; I736-R740 PolarHBondContact O-N 3.41Å |
| 737 | G | 92 | Very high | 92.7 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F272 M733 V734 L735 R740 F741 | F272-G737 VanDerWaalsContact CD2-CA 3.46Å; M733-G737 PolarHBondContact O-N 3.02Å; V734-G737 WeakPolarHBondContact O-CA 3.26Å; V734-G737 PolarHBondContact O-N 3.32Å; V734-G737 VanDerWaalsContact O-N 3.09Å; L735-G737 VanDerWaalsContact C-N 3.28Å; L735-G737 PolarHBondContact O-N 3.3Å; G737-R740 PolarHBondContact O-N 3.01Å; G737-F741 WeakPolarHBondContact O-CB 3.48Å; G737-F741 PolarHBondContact O-N 2.75Å |
| 738 | V | 94.1 | Very high | 92.6 | Very high | 67 Ų | 67 | 45 Ų | 45 | 41% | 0.406 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.2 | -42.4 | 176.4 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | L269 V734 L735 R740 F741 T742 | L269-V738 HydrophobicContact CD1-CG2 3.97Å; V734-V738 HydrophobicContact CG1-CG2 4.47Å; V734-V738 WeakPolarHBondContact O-CG2 3.21Å; V734-V738 PolarHBondContact O-N 3.12Å; L735-V738 PolarHBondContact O-N 3.19Å; V738-R740 VanDerWaalsContact C-N 3.33Å; V738-R740 PolarHBondContact O-N 3.46Å; V738-F741 PolarHBondContact O-N 3.32Å; V738-T742 WeakPolarHBondContact O-CG2 3.35Å; V738-T742 PolarHBondContact O-N 2.88Å; V738-T742 PolarHBondContact O-OG1 2.91Å |
| 739 | L | 93.4 | Very high | 92.6 | Very high | 90 Ų | 90 | 43.8 Ų | 43.8 | 47% | 0.471 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.3 | -42.2 | 174.9 | -72.2 | 171.4 | 0 | 0 | 0 | 111.4 | L735 I736 T742 A743 | L735-L739 HydrophobicContact CG-CD1 4.19Å; L735-L739 WeakPolarHBondContact O-CB 3.25Å; L735-L739 VanDerWaalsContact O-CG 3.31Å; L735-L739 WeakPolarHBondContact O-CG 3.27Å; L735-L739 PolarHBondContact O-N 2.88Å; I736-L739 PolarHBondContact O-N 3.36Å; L739-T742 WeakPolarHBondContact CA-OG1 3.31Å; L739-T742 PolarHBondContact O-OG1 3.06Å; L739-A743 WeakPolarHBondContact O-CB 3.44Å; L739-A743 PolarHBondContact O-N 3.48Å |
| 740 | R | 90.8 | Very high | 92.6 | Very high | 43 Ų | 43 | 44.1 Ų | 44.1 | 16% | 0.162 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66 | -42.1 | 175 | -168.3 | -172.1 | -177.2 | 148.3 | 8.5 | 112.1 | F272 N695 A698 I736 G737 V738 A743 S744 E812 | F272-R740 HydrophobicContact CE2-CB 4.48Å; F272-R740 VanDerWaalsContact CE2-CD 3.49Å; N695-R740 WeakPolarHBondContact OD1-CG 3.42Å; N695-R740 PolarHBondContact OD1-O 3.39Å; A698-R740 HydrophobicContact CB-CB 4.24Å; A698-R740 HydrophobicContact CB-CG 4.21Å; I736-R740 WeakPolarHBondContact O-CB 3.19Å; I736-R740 PolarHBondContact O-N 3.41Å; G737-R740 PolarHBondContact O-N 3.01Å; V738-R740 VanDerWaalsContact C-N 3.33Å; V738-R740 PolarHBondContact O-N 3.46Å; R740-A743 PolarHBondContact O-N 3.47Å; R740-S744 WeakPolarHBondContact O-CB 3.49Å; R740-S744 PolarHBondContact O-N 2.96Å; R740-E812 IonicContact NH2-OE1 3.32Å |
| 741 | F | 93.6 | Very high | 92.6 | Very high | 65 Ų | 65 | 43.6 Ų | 43.6 | 29% | 0.285 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.4 | -50.4 | 177.5 | 174.9 | -101.2 | 0 | 0 | 0 | 111.3 | A266 L269 G737 V738 S744 L745 | A266-F741 HydrophobicContact CB-CD2 4.4Å; A266-F741 HydrophobicContact CB-CE2 4.16Å; L269-F741 HydrophobicContact CB-CB 4.28Å; L269-F741 HydrophobicContact CD2-CB 4.44Å; L269-F741 HydrophobicContact CD2-CD2 4.45Å; L269-F741 HydrophobicContact CD2-CG 4.37Å; G737-F741 WeakPolarHBondContact O-CB 3.48Å; G737-F741 PolarHBondContact O-N 2.75Å; V738-F741 PolarHBondContact O-N 3.32Å; F741-S744 PolarHBondContact O-N 3.34Å; F741-L745 WeakPolarHBondContact O-CB 3.46Å; F741-L745 PolarHBondContact O-N 3.41Å |
| 742 | T | 93.8 | Very high | 92.4 | Very high | 65 Ų | 65 | 41.8 Ų | 41.8 | 40% | 0.399 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.8 | -45.7 | 179.5 | 51.8 | 0 | 0 | 0 | 0 | 111.6 | V738 L739 S744 L745 C746 | V738-T742 WeakPolarHBondContact O-CG2 3.35Å; V738-T742 PolarHBondContact O-N 2.88Å; V738-T742 PolarHBondContact O-OG1 2.91Å; L739-T742 WeakPolarHBondContact CA-OG1 3.31Å; L739-T742 PolarHBondContact O-OG1 3.06Å; T742-S744 PolarHBondContact O-N 2.96Å; T742-L745 PolarHBondContact O-N 2.83Å; T742-C746 WeakPolarHBondContact O-CB 3.17Å; T742-C746 PolarHBondContact O-N 3.41Å; T742-C746 PolarHBondContact O-SG 3.31Å |
| 743 | A | 93 | Very high | 92.3 | Very high | 6 Ų | 6 | 40.7 Ų | 40.7 | 5% | 0.05 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.8 | -41.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I694 N695 L739 R740 C746 Q747 | I694-A743 HydrophobicContact CB-CB 4.16Å; I694-A743 HydrophobicContact CG2-CB 3.78Å; N695-A743 WeakPolarHBondContact OD1-CB 3.42Å; L739-A743 WeakPolarHBondContact O-CB 3.44Å; L739-A743 PolarHBondContact O-N 3.48Å; R740-A743 PolarHBondContact O-N 3.47Å; A743-C746 PolarHBondContact O-N 2.72Å; A743-Q747 WeakPolarHBondContact O-CB 3.44Å; A743-Q747 PolarHBondContact O-N 3.05Å |
| 744 | S | 91.6 | Very high | 92.2 | Very high | 10 Ų | 10 | 40.7 Ų | 40.7 | 7% | 0.07 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.7 | -40 | 176.9 | -175.1 | 0 | 0 | 0 | 0 | 112.7 | G261 G265 N695 R740 F741 T742 G748 | G261-S744 CarbonylContact O-C 3.6Å; G261-S744 PolarHBondContact O-OG 3.15Å; G265-S744 PolarHBondContact N-OG 3.45Å; N695-S744 WeakPolarHBondContact ND2-CA 3.16Å; N695-S744 PolarHBondContact ND2-N 3.09Å; R740-S744 WeakPolarHBondContact O-CB 3.49Å; R740-S744 PolarHBondContact O-N 2.96Å; F741-S744 PolarHBondContact O-N 3.34Å; T742-S744 PolarHBondContact O-N 2.96Å; S744-G748 PolarHBondContact O-N 2.67Å |
| 745 | L | 92.7 | Very high | 92 | Very high | 68 Ų | 68 | 38.4 Ų | 38.4 | 36% | 0.356 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.5 | -48.4 | 174.4 | -171.1 | 85.8 | 0 | 0 | 0 | 110.8 | F741 T742 G748 F749 | F741-L745 WeakPolarHBondContact O-CB 3.46Å; F741-L745 PolarHBondContact O-N 3.41Å; T742-L745 PolarHBondContact O-N 2.83Å; L745-G748 PolarHBondContact O-N 2.94Å; L745-F749 PolarHBondContact O-N 3.39Å |
| 746 | C | 93 | Very high | 91.8 | Very high | 57 Ų | 57 | 34.5 Ų | 34.5 | 39% | 0.385 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63 | -44.9 | 177.5 | -70.8 | 0 | 0 | 0 | 0 | 111.9 | T742 A743 G748 F749 L750 | T742-C746 WeakPolarHBondContact O-CB 3.17Å; T742-C746 PolarHBondContact O-N 3.41Å; T742-C746 PolarHBondContact O-SG 3.31Å; A743-C746 PolarHBondContact O-N 2.72Å; C746-G748 PolarHBondContact O-N 3Å; C746-F749 PolarHBondContact O-N 3.4Å; C746-L750 WeakPolarHBondContact O-CB 3.34Å; C746-L750 VanDerWaalsContact O-CG 3.24Å; C746-L750 WeakPolarHBondContact O-CG 3.43Å; C746-L750 PolarHBondContact O-N 3.47Å |
| 747 | Q | 91.7 | Very high | 91.7 | Very high | 12 Ų | 12 | 36.4 Ų | 36.4 | 6% | 0.056 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.5 | -49.6 | 174.6 | 173.5 | 179.6 | -26.4 | 0 | 0 | 111.2 | C691 C692 N695 A743 F749 L750 L751 | C691-Q747 HydrophobicContact CB-CB 4.06Å; C692-Q747 VanDerWaalsContact SG-CG 3.6Å; C692-Q747 PolarHBondContact SG-OE1 2.66Å; N695-Q747 PolarHBondContact ND2-OE1 2.95Å; A743-Q747 WeakPolarHBondContact O-CB 3.44Å; A743-Q747 PolarHBondContact O-N 3.05Å; Q747-F749 VanDerWaalsContact C-N 3.32Å; Q747-F749 PolarHBondContact O-N 2.9Å; Q747-L750 PolarHBondContact O-N 3.3Å; Q747-L751 HydrophobicContact CG-CD1 3.95Å; Q747-L751 WeakPolarHBondContact O-CB 3.19Å; Q747-L751 PolarHBondContact O-N 3.06Å |
| 748 | G | 88.9 | Confident | 91.6 | Very high | 11 Ų | 11 | 36.5 Ų | 36.5 | 11% | 0.113 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.3 | -38.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S744 L745 C746 G752 | S744-G748 PolarHBondContact O-N 2.67Å; L745-G748 PolarHBondContact O-N 2.94Å; C746-G748 PolarHBondContact O-N 3Å; G748-G752 WeakPolarHBondContact O-CA 3.45Å; G748-G752 PolarHBondContact O-N 3.35Å; G748-G752 VanDerWaalsContact O-N 3.17Å |
| 749 | F | 92.7 | Very high | 91.4 | Very high | 83 Ų | 83 | 33.8 Ų | 33.8 | 36% | 0.364 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -71.4 | -51.5 | 175.7 | 178.9 | -102.7 | 0 | 0 | 0 | 112.7 | L254 T258 L745 C746 Q747 K753 | L254-F749 HydrophobicContact CD1-CD2 4.1Å; L254-F749 HydrophobicContact CD1-CE2 4.24Å; L254-F749 HydrophobicContact CD2-CE2 4.35Å; T258-F749 HydrophobicContact CG2-CB 4.33Å; T258-F749 HydrophobicContact CG2-CD2 4.36Å; L745-F749 PolarHBondContact O-N 3.39Å; C746-F749 PolarHBondContact O-N 3.4Å; Q747-F749 VanDerWaalsContact C-N 3.32Å; Q747-F749 PolarHBondContact O-N 2.9Å; F749-K753 HydrophobicContact CZ-CD 4.38Å; F749-K753 WeakPolarHBondContact O-CB 3.17Å; F749-K753 PolarHBondContact O-N 3.4Å |
| 750 | L | 92.7 | Very high | 91.4 | Very high | 22 Ų | 22 | 32.5 Ų | 32.5 | 12% | 0.115 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.5 | -53.3 | -173.1 | -67.7 | 170.8 | 0 | 0 | 0 | 112 | L684 I687 C746 Q747 G752 K753 S754 | L684-L750 HydrophobicContact CD2-CD2 3.75Å; I687-L750 HydrophobicContact CB-CD1 4.05Å; I687-L750 HydrophobicContact CG2-CD1 3.51Å; C746-L750 WeakPolarHBondContact O-CB 3.34Å; C746-L750 VanDerWaalsContact O-CG 3.24Å; C746-L750 WeakPolarHBondContact O-CG 3.43Å; C746-L750 PolarHBondContact O-N 3.47Å; Q747-L750 PolarHBondContact O-N 3.3Å; L750-G752 VanDerWaalsContact C-N 3.35Å; L750-K753 PolarHBondContact O-N 2.96Å; L750-S754 PolarHBondContact O-N 3.31Å; L750-S754 VanDerWaalsContact O-N 3.08Å |
| 751 | L | 90.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -72.5 | -31 | 179.4 | -64.4 | -174.6 | 0 | 0 | 0 | 111.8 | C692 Q747 G755 G804 | C692-L751 VanDerWaalsContact SG-CD1 3.55Å; Q747-L751 HydrophobicContact CG-CD1 3.95Å; Q747-L751 WeakPolarHBondContact O-CB 3.19Å; Q747-L751 PolarHBondContact O-N 3.06Å; L751-G755 PolarHBondContact O-N 3.12Å; L751-G804 WeakPolarHBondContact O-CA 3.29Å |
| 752 | G | 89.8 | Confident | 91.4 | Very high | 4 Ų | 4 | 30.7 Ų | 30.7 | 4% | 0.041 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.5 | -47.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112 | G748 L750 S754 G755 E756 | G748-G752 WeakPolarHBondContact O-CA 3.45Å; G748-G752 PolarHBondContact O-N 3.35Å; G748-G752 VanDerWaalsContact O-N 3.17Å; L750-G752 VanDerWaalsContact C-N 3.35Å; G752-S754 PolarHBondContact O-N 2.89Å; G752-G755 PolarHBondContact O-N 2.68Å; G752-E756 WeakPolarHBondContact O-CG 3.39Å; G752-E756 PolarHBondContact O-N 2.86Å |
| 753 | K | 91.1 | Very high | 91.4 | Very high | 65 Ų | 65 | 28.6 Ų | 28.6 | 28% | 0.283 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -62 | -41.7 | 177.3 | -170.2 | 174.5 | -176.9 | 178.2 | 0 | 112.7 | L254 L684 F749 L750 K757 | L254-K753 HydrophobicContact CD1-CB 3.73Å; L254-K753 HydrophobicContact CD1-CG 4.36Å; L684-K753 HydrophobicContact CD1-CD 4.24Å; L684-K753 HydrophobicContact CD1-CG 4.48Å; F749-K753 HydrophobicContact CZ-CD 4.38Å; F749-K753 WeakPolarHBondContact O-CB 3.17Å; F749-K753 PolarHBondContact O-N 3.4Å; L750-K753 PolarHBondContact O-N 2.96Å; K753-K757 WeakPolarHBondContact O-CB 3.29Å; K753-K757 WeakPolarHBondContact O-CG 3.37Å; K753-K757 PolarHBondContact O-N 2.97Å |
| 754 | S | 90.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.4 | -46.3 | 174.5 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | N678 I685 L750 G752 L758 | N678-S754 PolarHBondContact ND2-OG 3.01Å; N678-S754 PolarHBondContact OD1-OG 2.93Å; N678-S754 VanDerWaalsContact OD1-OG 3.09Å; I685-S754 WeakPolarHBondContact CG1-OG 3.13Å; L750-S754 PolarHBondContact O-N 3.31Å; L750-S754 VanDerWaalsContact O-N 3.08Å; G752-S754 PolarHBondContact O-N 2.89Å; S754-L758 WeakPolarHBondContact O-CB 3.33Å; S754-L758 PolarHBondContact O-N 3.44Å |
| 755 | G | 89.4 | Confident | 91.5 | Very high | 7 Ų | 7 | 31.4 Ų | 31.4 | 7% | 0.072 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.3 | -49.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L751 G752 K757 L758 I759 | L751-G755 PolarHBondContact O-N 3.12Å; G752-G755 PolarHBondContact O-N 2.68Å; G755-K757 PolarHBondContact O-N 3.2Å; G755-L758 WeakPolarHBondContact O-CB 3.37Å; G755-L758 PolarHBondContact O-N 3.45Å; G755-I759 WeakPolarHBondContact O-CG1 3.38Å; G755-I759 PolarHBondContact O-N 3.03Å |
| 756 | E | 90.2 | Very high | 91.6 | Very high | 21 Ų | 21 | 28.3 Ų | 28.3 | 10% | 0.098 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.5 | -38.6 | -178.5 | -67.9 | -61.7 | 158.5 | 0 | 0 | 112.9 | E250 G253 G752 L758 I759 K760 | E250-E756 HydrophobicContact CG-CB 4.09Å; G253-E756 WeakPolarHBondContact CA-OE1 3.43Å; G752-E756 WeakPolarHBondContact O-CG 3.39Å; G752-E756 PolarHBondContact O-N 2.86Å; E756-L758 VanDerWaalsContact C-N 3.34Å; E756-I759 PolarHBondContact O-N 3.45Å; E756-K760 PolarHBondContact O-N 3.38Å |
| 757 | K | 91.1 | Very high | 91.7 | Very high | 68 Ų | 68 | 25.6 Ų | 25.6 | 30% | 0.296 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -62.5 | -41.7 | 172.8 | -81.3 | -173.4 | 170.5 | -162.9 | 0 | 112 | E250 E681 K753 G755 K760 R761 | E250-K757 VanDerWaalsContact OE1-CG 3.3Å; E250-K757 WeakPolarHBondContact OE1-CG 3.33Å; E681-K757 HydrophobicContact CG-CB 4.34Å; E681-K757 HydrophobicContact CG-CD 3.97Å; K753-K757 WeakPolarHBondContact O-CB 3.29Å; K753-K757 WeakPolarHBondContact O-CG 3.37Å; K753-K757 PolarHBondContact O-N 2.97Å; G755-K757 PolarHBondContact O-N 3.2Å; K757-K760 PolarHBondContact O-N 2.83Å; K757-R761 WeakPolarHBondContact O-CB 3.28Å; K757-R761 PolarHBondContact O-N 3.39Å |
| 758 | L | 89.9 | Confident | 91.9 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.3 | -44.9 | 176.2 | -176.8 | 66.8 | 0 | 0 | 0 | 111 | L677 N678 S754 G755 E756 K760 R761 I762 S803 | L677-L758 HydrophobicContact CB-CD1 4.05Å; N678-L758 HydrophobicContact CB-CD1 4.18Å; N678-L758 HydrophobicContact CB-CD2 4.41Å; S754-L758 WeakPolarHBondContact O-CB 3.33Å; S754-L758 PolarHBondContact O-N 3.44Å; G755-L758 WeakPolarHBondContact O-CB 3.37Å; G755-L758 PolarHBondContact O-N 3.45Å; E756-L758 VanDerWaalsContact C-N 3.34Å; L758-K760 PolarHBondContact O-N 3.46Å; L758-R761 PolarHBondContact O-N 2.92Å; L758-I762 HydrophobicContact CD1-CD1 3.93Å; L758-I762 HydrophobicContact CD1-CG1 4.14Å; L758-I762 HydrophobicContact CD2-CD1 4.29Å; L758-I762 HydrophobicContact CG-CD1 3.77Å; L758-I762 HydrophobicContact CG-CG1 4.31Å; L758-I762 WeakPolarHBondContact O-CB 3.31Å; L758-I762 WeakPolarHBondContact O-CG1 3.3Å; L758-I762 PolarHBondContact O-N 2.89Å; L758-S803 WeakPolarHBondContact CD2-OG 3.2Å |
| 759 | I | 90.2 | Very high | 92.1 | Very high | 10 Ų | 10 | 27.3 Ų | 27.3 | 5% | 0.051 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.9 | -50.4 | 177 | -67.1 | 168.2 | 0 | 0 | 0 | 110.5 | G755 E756 R761 I762 R763 A800 | G755-I759 WeakPolarHBondContact O-CG1 3.38Å; G755-I759 PolarHBondContact O-N 3.03Å; E756-I759 PolarHBondContact O-N 3.45Å; I759-R761 PolarHBondContact O-N 2.93Å; I759-I762 PolarHBondContact O-N 3.42Å; I759-R763 HydrophobicContact CG2-CG 4.42Å; I759-R763 WeakPolarHBondContact O-CB 3.4Å; I759-R763 WeakPolarHBondContact O-CG 3.45Å; I759-R763 PolarHBondContact O-N 2.98Å; I759-A800 HydrophobicContact CD1-CB 3.67Å; I759-A800 HydrophobicContact CG1-CB 3.71Å |
| 760 | K | 92.4 | Very high | 92.1 | Very high | 64 Ų | 64 | 23.4 Ų | 23.4 | 28% | 0.278 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -57.7 | -47 | 177.2 | 171 | -177 | 172.6 | -166 | 0 | 111.8 | L246 E250 E756 K757 L758 R763 S764 | L246-K760 HydrophobicContact CB-CG 4.04Å; L246-K760 HydrophobicContact CD1-CG 4.35Å; E250-K760 HydrophobicContact CB-CD 4.41Å; E250-K760 WeakPolarHBondContact OE2-CD 3.3Å; E250-K760 IonicContact OE2-NZ 2.72Å; E250-K760 PolarHBondContact OE2-NZ 3.21Å; E756-K760 PolarHBondContact O-N 3.38Å; K757-K760 PolarHBondContact O-N 2.83Å; L758-K760 PolarHBondContact O-N 3.46Å; K760-R763 PolarHBondContact O-N 3.17Å; K760-S764 WeakPolarHBondContact O-CB 3.43Å; K760-S764 PolarHBondContact O-N 3.17Å |
| 761 | R | 92.1 | Very high | 92.2 | Very high | 69 Ų | 69 | 22.6 Ų | 22.6 | 26% | 0.26 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -61.7 | -48 | 179.9 | -173.7 | -177.6 | -70.9 | 139 | 9.3 | 110.9 | L677 E681 K757 L758 I759 S764 M765 | L677-R761 PolarHBondContact O-NH1 2.99Å; E681-R761 IonicContact OE1-CZ 3.2Å; E681-R761 IonicContact OE1-NH1 3.35Å; E681-R761 IonicContact OE1-NH2 3.33Å; E681-R761 PolarHBondContact OE1-NH2 3.47Å; E681-R761 IonicContact OE2-CZ 3.34Å; E681-R761 IonicContact OE2-NH1 2.75Å; E681-R761 PolarHBondContact OE2-NH1 2.96Å; E681-R761 IonicContact OE2-NH2 2.76Å; E681-R761 PolarHBondContact OE2-NH2 3.01Å; K757-R761 WeakPolarHBondContact O-CB 3.28Å; K757-R761 PolarHBondContact O-N 3.39Å; L758-R761 PolarHBondContact O-N 2.92Å; I759-R761 PolarHBondContact O-N 2.93Å; R761-S764 PolarHBondContact O-N 2.93Å; R761-M765 HydrophobicContact CG-CE 3.81Å; R761-M765 HydrophobicContact CG-CG 4.32Å; R761-M765 HydrophobicContact CG-SD 3.94Å; R761-M765 WeakPolarHBondContact O-CB 3.23Å; R761-M765 VanDerWaalsContact O-CG 3.26Å; R761-M765 WeakPolarHBondContact O-CG 3.42Å; R761-M765 PolarHBondContact O-N 3.49Å |
| 762 | I | 91.7 | Very high | 92.3 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.4 | -47.5 | 177.5 | -70 | 175.5 | 0 | 0 | 0 | 110.5 | L758 I759 S764 M765 V766 A796 M799 I980 | L758-I762 HydrophobicContact CD1-CD1 3.93Å; L758-I762 HydrophobicContact CD1-CG1 4.14Å; L758-I762 HydrophobicContact CD2-CD1 4.29Å; L758-I762 HydrophobicContact CG-CD1 3.77Å; L758-I762 HydrophobicContact CG-CG1 4.31Å; L758-I762 WeakPolarHBondContact O-CB 3.31Å; L758-I762 WeakPolarHBondContact O-CG1 3.3Å; L758-I762 PolarHBondContact O-N 2.89Å; I759-I762 PolarHBondContact O-N 3.42Å; I762-S764 PolarHBondContact O-N 3.29Å; I762-M765 HydrophobicContact CG1-CE 4.25Å; I762-M765 PolarHBondContact O-N 3.44Å; I762-V766 HydrophobicContact CG2-CG2 4.05Å; I762-V766 VanDerWaalsContact O-CB 3.23Å; I762-V766 WeakPolarHBondContact O-CB 3.48Å; I762-V766 WeakPolarHBondContact O-CG2 3.41Å; I762-V766 PolarHBondContact O-N 3.21Å; I762-A796 HydrophobicContact CG2-CB 4.02Å; I762-M799 HydrophobicContact CD1-CB 3.57Å; I762-M799 HydrophobicContact CD1-CG 3.95Å; I762-M799 HydrophobicContact CG2-CG 4.45Å; I762-I980 HydrophobicContact CG2-CD1 4.08Å; I762-I980 HydrophobicContact CG2-CG2 4.19Å |
| 763 | R | 93.6 | Very high | 92.4 | Very high | 20 Ų | 20 | 29.5 Ų | 29.5 | 8% | 0.075 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.9 | -45.2 | 178.3 | -76.7 | 178.2 | 173.6 | 154.9 | 1 | 112.4 | Y212 Y242 L246 I759 K760 F767 L792 A796 T797 | Y212-R763 VanDerWaalsContact CD2-CZ 3.41Å; Y212-R763 VanDerWaalsContact CE2-NE 3.34Å; Y242-R763 HydrophobicContact CE1-CB 4.3Å; L246-R763 HydrophobicContact CD1-CB 3.75Å; L246-R763 HydrophobicContact CD2-CB 4.19Å; I759-R763 HydrophobicContact CG2-CG 4.42Å; I759-R763 WeakPolarHBondContact O-CB 3.4Å; I759-R763 WeakPolarHBondContact O-CG 3.45Å; I759-R763 PolarHBondContact O-N 2.98Å; K760-R763 PolarHBondContact O-N 3.17Å; R763-F767 VanDerWaalsContact O-CB 3.23Å; R763-F767 WeakPolarHBondContact O-CB 3.29Å; R763-F767 PolarHBondContact O-N 3.41Å; R763-L792 PolarHBondContact NE-O 2.93Å; R763-A796 HydrophobicContact CG-CB 3.6Å; R763-T797 PolarHBondContact NH2-OG1 3.42Å |
| 764 | S | 94.5 | Very high | 92.4 | Very high | 28 Ų | 28 | 26.9 Ų | 26.9 | 20% | 0.196 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.7 | -48.6 | 178 | -176.7 | 0 | 0 | 0 | 0 | 111.7 | S243 K760 R761 I762 V766 F767 E768 | S243-S764 PolarHBondContact OG-OG 3.41Å; K760-S764 WeakPolarHBondContact O-CB 3.43Å; K760-S764 PolarHBondContact O-N 3.17Å; R761-S764 PolarHBondContact O-N 2.93Å; I762-S764 PolarHBondContact O-N 3.29Å; S764-V766 PolarHBondContact O-N 3.25Å; S764-F767 PolarHBondContact O-N 3.47Å; S764-E768 VanDerWaalsContact O-CB 3.31Å; S764-E768 WeakPolarHBondContact O-CB 3.19Å; S764-E768 PolarHBondContact O-N 3.48Å |
| 765 | M | 93.5 | Very high | 92.5 | Very high | 48 Ų | 48 | 27 Ų | 27 | 24% | 0.236 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.4 | -39.6 | 177.7 | -69.7 | -177.2 | -51.2 | 0 | 0 | 112.7 | L677 R761 I762 A769 L984 | L677-M765 HydrophobicContact CD1-CE 4.04Å; L677-M765 HydrophobicContact CD2-CE 4.09Å; L677-M765 HydrophobicContact CD2-SD 4.48Å; R761-M765 HydrophobicContact CG-CE 3.81Å; R761-M765 HydrophobicContact CG-CG 4.32Å; R761-M765 HydrophobicContact CG-SD 3.94Å; R761-M765 WeakPolarHBondContact O-CB 3.23Å; R761-M765 VanDerWaalsContact O-CG 3.26Å; R761-M765 WeakPolarHBondContact O-CG 3.42Å; R761-M765 PolarHBondContact O-N 3.49Å; I762-M765 HydrophobicContact CG1-CE 4.25Å; I762-M765 PolarHBondContact O-N 3.44Å; M765-A769 VanDerWaalsContact O-CB 3.22Å; M765-A769 WeakPolarHBondContact O-CB 3.26Å; M765-A769 PolarHBondContact O-N 3.48Å; M765-L984 HydrophobicContact CB-CD2 3.85Å; M765-L984 WeakPolarHBondContact O-CD2 3.36Å |
| 766 | V | 93.8 | Very high | 92.5 | Very high | 3 Ų | 3 | 27.5 Ų | 27.5 | 2% | 0.018 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -69.5 | -43.5 | 178.8 | 170.1 | 0 | 0 | 0 | 0 | 110.5 | I762 S764 A769 M770 L792 I980 L983 L984 | I762-V766 HydrophobicContact CG2-CG2 4.05Å; I762-V766 VanDerWaalsContact O-CB 3.23Å; I762-V766 WeakPolarHBondContact O-CB 3.48Å; I762-V766 WeakPolarHBondContact O-CG2 3.41Å; I762-V766 PolarHBondContact O-N 3.21Å; S764-V766 PolarHBondContact O-N 3.25Å; V766-A769 PolarHBondContact O-N 3.11Å; V766-M770 HydrophobicContact CG1-CE 3.63Å; V766-M770 HydrophobicContact CG1-SD 4.35Å; V766-M770 VanDerWaalsContact O-CG 3.27Å; V766-M770 WeakPolarHBondContact O-CG 3.37Å; V766-M770 PolarHBondContact O-N 3.39Å; V766-L792 HydrophobicContact CB-CD2 3.96Å; V766-L792 HydrophobicContact CG1-CD2 3.6Å; V766-L792 HydrophobicContact CG1-CG 4.41Å; V766-I980 HydrophobicContact CG2-CB 4.49Å; V766-I980 HydrophobicContact CG2-CG1 4.34Å; V766-I980 HydrophobicContact CG2-CG2 3.65Å; V766-L983 HydrophobicContact CG1-CD2 3.87Å; V766-L984 HydrophobicContact CG2-CD2 4.08Å; V766-L984 HydrophobicContact CG2-CG 4.29Å |
| 767 | F | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.7 | -43 | 175.8 | -173.4 | -114 | 0 | 0 | 0 | 111.4 | A219 V222 L223 L239 Y242 R763 S764 A769 M770 L771 L792 | A219-F767 HydrophobicContact CB-CD2 4.32Å; A219-F767 HydrophobicContact CB-CE2 3.9Å; V222-F767 HydrophobicContact CB-CZ 4.12Å; V222-F767 HydrophobicContact CG1-CE2 4.46Å; V222-F767 HydrophobicContact CG1-CZ 3.85Å; L223-F767 HydrophobicContact CG-CE2 4.32Å; L239-F767 HydrophobicContact CD1-CD1 3.87Å; Y242-F767 HydrophobicContact CD1-CB 3.87Å; Y242-F767 AromaticContact CD1-CD1 3.45Å; Y242-F767 HydrophobicContact CD1-CD1 3.45Å; Y242-F767 VanDerWaalsContact CD1-CD1 3.45Å; Y242-F767 HydrophobicContact CD1-CD2 4.5Å; Y242-F767 HydrophobicContact CD1-CE1 4.06Å; Y242-F767 AromaticContact CD1-CG 3.7Å; Y242-F767 HydrophobicContact CD1-CG 3.7Å; Y242-F767 HydrophobicContact CE1-CB 3.69Å; Y242-F767 HydrophobicContact CE1-CD1 4.14Å; Y242-F767 AromaticContact CE1-CG 3.89Å; Y242-F767 HydrophobicContact CE1-CG 3.89Å; Y242-F767 AromaticContact CG-CD1 3.78Å; Y242-F767 HydrophobicContact CG-CD1 3.78Å; Y242-F767 AromaticContact CG-CE1 3.88Å; Y242-F767 HydrophobicContact CG-CE1 3.88Å; Y242-F767 HydrophobicContact CG-CG 4.22Å; Y242-F767 HydrophobicContact CG-CZ 4.41Å; R763-F767 VanDerWaalsContact O-CB 3.23Å; R763-F767 WeakPolarHBondContact O-CB 3.29Å; R763-F767 PolarHBondContact O-N 3.41Å; S764-F767 PolarHBondContact O-N 3.47Å; F767-A769 PolarHBondContact O-N 2.92Å; F767-M770 WeakPolarHBondContact O-CB 3.04Å; F767-M770 PolarHBondContact O-N 2.95Å; F767-L771 HydrophobicContact CD1-CD1 3.98Å; F767-L771 HydrophobicContact CE1-CD1 3.61Å; F767-L771 HydrophobicContact CE1-CG 4.33Å; F767-L771 HydrophobicContact CZ-CD1 4.03Å; F767-L771 HydrophobicContact CZ-CD2 4.43Å; F767-L771 HydrophobicContact CZ-CG 4.39Å; F767-L771 WeakPolarHBondContact O-CG 3.32Å; F767-L771 PolarHBondContact O-N 3.22Å; F767-L792 HydrophobicContact CB-CD2 4.25Å; F767-L792 HydrophobicContact CD2-CD1 3.85Å |
| 768 | E | 95.1 | Very high | 92.7 | Very high | 48 Ų | 48 | 24.5 Ų | 24.5 | 22% | 0.224 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.4 | -45.7 | 172 | -179.1 | 176.4 | -166.5 | 0 | 0 | 111.8 | L239 S764 M770 L771 R772 | L239-E768 HydrophobicContact CD1-CB 3.86Å; L239-E768 HydrophobicContact CD2-CB 3.83Å; L239-E768 HydrophobicContact CD2-CG 3.76Å; S764-E768 VanDerWaalsContact O-CB 3.31Å; S764-E768 WeakPolarHBondContact O-CB 3.19Å; S764-E768 PolarHBondContact O-N 3.48Å; E768-M770 VanDerWaalsContact C-N 3.28Å; E768-M770 PolarHBondContact O-N 3.07Å; E768-L771 PolarHBondContact O-N 3.21Å; E768-R772 VanDerWaalsContact O-CG 3.31Å; E768-R772 WeakPolarHBondContact O-CG 3.27Å; E768-R772 PolarHBondContact O-N 3.45Å; E768-R772 IonicContact OE1-CZ 2.92Å; E768-R772 IonicContact OE1-NE 3.58Å; E768-R772 PolarHBondContact OE1-NE 3.37Å; E768-R772 IonicContact OE1-NH2 2.6Å; E768-R772 PolarHBondContact OE1-NH2 3.11Å |
| 769 | A | 93.4 | Very high | 92.5 | Very high | 11 Ų | 11 | 25.7 Ų | 25.7 | 9% | 0.091 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.6 | -33.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | M765 V766 F767 Q773 L984 | M765-A769 VanDerWaalsContact O-CB 3.22Å; M765-A769 WeakPolarHBondContact O-CB 3.26Å; M765-A769 PolarHBondContact O-N 3.48Å; V766-A769 PolarHBondContact O-N 3.11Å; F767-A769 PolarHBondContact O-N 2.92Å; A769-Q773 VanDerWaalsContact O-CG 3.28Å; A769-Q773 WeakPolarHBondContact O-CG 3.4Å; A769-Q773 PolarHBondContact O-NE2 2.95Å; A769-L984 HydrophobicContact CB-CD2 3.86Å |
| 770 | M | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.5 | -52.7 | 171.7 | -69.8 | 171.8 | 177.4 | 0 | 0 | 110.6 | L223 V766 F767 E768 R772 Q773 W777 F778 L788 L792 L983 | L223-M770 HydrophobicContact CD2-CB 4.39Å; L223-M770 HydrophobicContact CD2-SD 4.43Å; V766-M770 HydrophobicContact CG1-CE 3.63Å; V766-M770 HydrophobicContact CG1-SD 4.35Å; V766-M770 VanDerWaalsContact O-CG 3.27Å; V766-M770 WeakPolarHBondContact O-CG 3.37Å; V766-M770 PolarHBondContact O-N 3.39Å; F767-M770 WeakPolarHBondContact O-CB 3.04Å; F767-M770 PolarHBondContact O-N 2.95Å; E768-M770 VanDerWaalsContact C-N 3.28Å; E768-M770 PolarHBondContact O-N 3.07Å; M770-R772 PolarHBondContact O-N 3.1Å; M770-R772 VanDerWaalsContact O-N 3.15Å; M770-Q773 WeakPolarHBondContact O-CB 3.38Å; M770-Q773 WeakPolarHBondContact O-CG 3.43Å; M770-Q773 PolarHBondContact O-N 3.37Å; M770-W777 HydrophobicContact CB-CZ3 4.4Å; M770-W777 HydrophobicContact CG-CH2 4.12Å; M770-W777 HydrophobicContact CG-CZ3 4.3Å; M770-F778 WeakPolarHBondContact O-CZ 3.49Å; M770-L788 HydrophobicContact CE-CB 4.07Å; M770-L788 HydrophobicContact CE-CD2 3.93Å; M770-L788 HydrophobicContact CE-CG 4.48Å; M770-L788 HydrophobicContact SD-CB 4.13Å; M770-L788 HydrophobicContact SD-CD1 4.43Å; M770-L792 HydrophobicContact CE-CD1 4.33Å; M770-L792 HydrophobicContact CE-CD2 4.43Å; M770-L792 HydrophobicContact CE-CG 3.98Å; M770-L792 HydrophobicContact SD-CD1 3.84Å; M770-L792 HydrophobicContact SD-CG 4.11Å; M770-L983 HydrophobicContact CE-CD2 3.63Å; M770-L983 HydrophobicContact CG-CD2 3.84Å |
| 771 | L | 93.3 | Very high | 91.5 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 3% | 0.026 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62 | -24 | -178.3 | -66.6 | 179.4 | 0 | 0 | 0 | 113.8 | V222 E235 E238 L239 F767 E768 Q773 | V222-L771 HydrophobicContact CG1-CD2 3.7Å; E235-L771 HydrophobicContact CB-CB 4.31Å; E235-L771 HydrophobicContact CG-CB 4.46Å; E235-L771 WeakPolarHBondContact O-CD1 3.33Å; E238-L771 HydrophobicContact CB-CD1 4.48Å; L239-L771 HydrophobicContact CB-CD1 4.37Å; F767-L771 HydrophobicContact CD1-CD1 3.98Å; F767-L771 HydrophobicContact CE1-CD1 3.61Å; F767-L771 HydrophobicContact CE1-CG 4.33Å; F767-L771 HydrophobicContact CZ-CD1 4.03Å; F767-L771 HydrophobicContact CZ-CD2 4.43Å; F767-L771 HydrophobicContact CZ-CG 4.39Å; F767-L771 WeakPolarHBondContact O-CG 3.32Å; F767-L771 PolarHBondContact O-N 3.22Å; E768-L771 PolarHBondContact O-N 3.21Å; L771-Q773 VanDerWaalsContact C-N 3.34Å |
| 772 | R | 91.8 | Very high | 91.1 | Very high | 141 Ų | 141 | 35.2 Ų | 35.2 | 53% | 0.532 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -16.5 | 175.2 | -73.4 | 174.5 | 179.5 | -150.9 | 2.5 | 113.9 | E768 M770 S988 | E768-R772 VanDerWaalsContact O-CG 3.31Å; E768-R772 WeakPolarHBondContact O-CG 3.27Å; E768-R772 PolarHBondContact O-N 3.45Å; E768-R772 IonicContact OE1-CZ 2.92Å; E768-R772 IonicContact OE1-NE 3.58Å; E768-R772 PolarHBondContact OE1-NE 3.37Å; E768-R772 IonicContact OE1-NH2 2.6Å; E768-R772 PolarHBondContact OE1-NH2 3.11Å; M770-R772 PolarHBondContact O-N 3.1Å; M770-R772 VanDerWaalsContact O-N 3.15Å; R772-S988 WeakPolarHBondContact O-CB 3.43Å; R772-S988 PolarHBondContact O-OG 3.49Å |
| 773 | Q | 93.1 | Very high | 91 | Very high | 9 Ų | 9 | 35.7 Ų | 35.7 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -72.5 | 152.3 | -178.4 | -54.2 | -52.1 | -34.9 | 0 | 0 | 111.5 | A769 M770 L771 W777 F778 R986 | A769-Q773 VanDerWaalsContact O-CG 3.28Å; A769-Q773 WeakPolarHBondContact O-CG 3.4Å; A769-Q773 PolarHBondContact O-NE2 2.95Å; M770-Q773 WeakPolarHBondContact O-CB 3.38Å; M770-Q773 WeakPolarHBondContact O-CG 3.43Å; M770-Q773 PolarHBondContact O-N 3.37Å; L771-Q773 VanDerWaalsContact C-N 3.34Å; Q773-W777 HydrophobicContact CB-CB 3.97Å; Q773-W777 HydrophobicContact CB-CD2 3.86Å; Q773-W777 HydrophobicContact CB-CE3 3.64Å; Q773-W777 HydrophobicContact CB-CG 4.02Å; Q773-W777 HydrophobicContact CB-CZ3 4.46Å; Q773-W777 HydrophobicContact CG-CD2 3.78Å; Q773-W777 HydrophobicContact CG-CE3 3.7Å; Q773-W777 HydrophobicContact CG-CG 4.22Å; Q773-W777 HydrophobicContact CG-CZ3 4.17Å; Q773-F778 HydrophobicContact CB-CE2 4.1Å; Q773-R986 PolarHBondContact NE2-O 3.19Å |
| 774 | E | 91.5 | Very high | 90.7 | Very high | 11 Ų | 11 | 39.3 Ų | 39.3 | 5% | 0.051 | 20% | 0.196 | C | C | . | . | trans | -68.9 | 156.5 | 173.2 | 71 | -74.3 | 173.6 | 0 | 0 | 112.4 | A776 W777 F778 R986 S988 L989 I990 | E774-A776 HydrophobicContact CG-CB 3.91Å; E774-A776 PolarHBondContact O-N 3.47Å; E774-W777 VanDerWaalsContact O-CB 3.32Å; E774-W777 WeakPolarHBondContact O-CB 3.49Å; E774-W777 PolarHBondContact O-N 2.85Å; E774-F778 WeakPolarHBondContact O-CD2 3.5Å; E774-R986 IonicContact OE1-CZ 2.85Å; E774-R986 IonicContact OE1-NH1 2.93Å; E774-R986 PolarHBondContact OE1-NH1 3.08Å; E774-R986 IonicContact OE1-NH2 3.26Å; E774-R986 PolarHBondContact OE1-NH2 2.89Å; E774-R986 IonicContact OE2-NH1 2.72Å; E774-R986 PolarHBondContact OE2-NH1 2.96Å; E774-S988 PolarHBondContact N-OG 3.29Å; E774-S988 WeakPolarHBondContact OE2-CA 3.48Å; E774-S988 PolarHBondContact OE2-OG 2.6Å; E774-S988 VanDerWaalsContact OE2-OG 3.13Å; E774-L989 HydrophobicContact CG-CB 4.36Å; E774-L989 PolarHBondContact OE2-N 3.39Å; E774-I990 HydrophobicContact CB-CB 4.19Å; E774-I990 HydrophobicContact CB-CD1 4.37Å; E774-I990 HydrophobicContact CB-CG1 4.28Å | ||
| 775 | I | 92.2 | Very high | 90.4 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.015 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.2 | -33.6 | -179.4 | -60.2 | -56.4 | 0 | 0 | 0 | 112 | V226 R227 V230 W777 F778 D779 F1057 Y1058 | V226-I775 HydrophobicContact CG1-CD1 4.34Å; V226-I775 HydrophobicContact CG2-CD1 4.42Å; R227-I775 HydrophobicContact CG-CD1 4.05Å; R227-I775 HydrophobicContact CG-CG2 3.98Å; V230-I775 HydrophobicContact CB-CD1 4.19Å; V230-I775 HydrophobicContact CG1-CD1 4.33Å; V230-I775 HydrophobicContact CG2-CD1 4.04Å; I775-W777 PolarHBondContact O-N 3.46Å; I775-W777 VanDerWaalsContact O-N 3.12Å; I775-F778 WeakPolarHBondContact O-CB 3.5Å; I775-F778 PolarHBondContact O-N 3.23Å; I775-D779 PolarHBondContact O-N 3.48Å; I775-D779 VanDerWaalsContact O-N 3.14Å; I775-F1057 HydrophobicContact CB-CB 4.11Å; I775-F1057 HydrophobicContact CB-CG 4.43Å; I775-F1057 HydrophobicContact CG1-CB 3.93Å; I775-F1057 HydrophobicContact CG1-CD1 3.81Å; I775-F1057 HydrophobicContact CG1-CD2 4.31Å; I775-F1057 HydrophobicContact CG1-CE1 4.36Å; I775-F1057 HydrophobicContact CG1-CG 3.77Å; I775-Y1058 HydrophobicContact CG2-CE1 4.44Å; I775-Y1058 WeakPolarHBondContact CG2-OH 3.41Å |
| 776 | A | 89.8 | Confident | 90.1 | Very high | 16 Ų | 16 | 39.4 Ų | 39.4 | 13% | 0.132 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.4 | -27.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E774 Y1058 | E774-A776 HydrophobicContact CG-CB 3.91Å; E774-A776 PolarHBondContact O-N 3.47Å; A776-Y1058 HydrophobicContact CB-CD1 3.88Å; A776-Y1058 HydrophobicContact CB-CE1 3.91Å |
| 777 | W | 92.2 | Very high | 89.8 | Confident | 13 Ų | 13 | 41.6 Ų | 41.6 | 5% | 0.049 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -73.2 | -38 | 175.6 | -177.8 | 70 | 0 | 0 | 0 | 111.8 | M770 Q773 E774 I775 D779 E780 N783 L788 L983 R986 | M770-W777 HydrophobicContact CB-CZ3 4.4Å; M770-W777 HydrophobicContact CG-CH2 4.12Å; M770-W777 HydrophobicContact CG-CZ3 4.3Å; Q773-W777 HydrophobicContact CB-CB 3.97Å; Q773-W777 HydrophobicContact CB-CD2 3.86Å; Q773-W777 HydrophobicContact CB-CE3 3.64Å; Q773-W777 HydrophobicContact CB-CG 4.02Å; Q773-W777 HydrophobicContact CB-CZ3 4.46Å; Q773-W777 HydrophobicContact CG-CD2 3.78Å; Q773-W777 HydrophobicContact CG-CE3 3.7Å; Q773-W777 HydrophobicContact CG-CG 4.22Å; Q773-W777 HydrophobicContact CG-CZ3 4.17Å; E774-W777 VanDerWaalsContact O-CB 3.32Å; E774-W777 WeakPolarHBondContact O-CB 3.49Å; E774-W777 PolarHBondContact O-N 2.85Å; I775-W777 PolarHBondContact O-N 3.46Å; I775-W777 VanDerWaalsContact O-N 3.12Å; W777-D779 VanDerWaalsContact C-N 3.28Å; W777-D779 PolarHBondContact O-N 2.93Å; W777-E780 PolarHBondContact O-N 3.29Å; W777-N783 HydrophobicContact CD2-CB 4.25Å; W777-N783 VanDerWaalsContact CE2-CG 3.43Å; W777-N783 VanDerWaalsContact CE2-ND2 3.28Å; W777-N783 HydrophobicContact CE3-CB 4.27Å; W777-N783 HydrophobicContact CH2-CB 4.14Å; W777-N783 HydrophobicContact CZ2-CB 4.07Å; W777-N783 VanDerWaalsContact CZ2-CG 3.44Å; W777-N783 VanDerWaalsContact CZ2-OD1 3.29Å; W777-N783 WeakPolarHBondContact CZ2-OD1 3.28Å; W777-N783 HydrophobicContact CZ3-CB 4.23Å; W777-N783 PolarHBondContact NE1-ND2 3.28Å; W777-N783 VanDerWaalsContact O-CB 3.25Å; W777-N783 WeakPolarHBondContact O-CB 3.28Å; W777-N783 PolarHBondContact O-ND2 3.4Å; W777-L788 HydrophobicContact CH2-CD1 3.8Å; W777-L788 HydrophobicContact CH2-CD2 3.54Å; W777-L788 HydrophobicContact CH2-CG 4.34Å; W777-L788 HydrophobicContact CZ2-CD2 4.28Å; W777-L788 HydrophobicContact CZ3-CD1 3.61Å; W777-L788 HydrophobicContact CZ3-CD2 4.24Å; W777-L983 HydrophobicContact CH2-CD1 3.74Å; W777-L983 HydrophobicContact CH2-CD2 4.49Å; W777-L983 HydrophobicContact CZ2-CD1 3.46Å; W777-L983 VanDerWaalsContact CZ2-CD1 3.46Å; W777-R986 VanDerWaalsContact CD1-NE 3.33Å |
| 778 | F | 92.1 | Very high | 89.6 | Confident | 13 Ų | 13 | 41.7 Ų | 41.7 | 6% | 0.057 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71.7 | -22.6 | 176.7 | -66.9 | -83.5 | 0 | 0 | 0 | 113.1 | L223 V226 M770 Q773 E774 I775 E780 Q784 L788 | L223-F778 HydrophobicContact CD2-CE1 3.83Å; V226-F778 HydrophobicContact CG1-CB 4.32Å; V226-F778 HydrophobicContact CG1-CD1 4.19Å; V226-F778 HydrophobicContact CG1-CD2 4.33Å; V226-F778 HydrophobicContact CG1-CG 4.03Å; V226-F778 HydrophobicContact CG2-CD1 4.45Å; V226-F778 HydrophobicContact CG2-CD2 4.17Å; V226-F778 HydrophobicContact CG2-CE1 4.08Å; V226-F778 HydrophobicContact CG2-CE2 3.77Å; V226-F778 HydrophobicContact CG2-CG 4.48Å; V226-F778 HydrophobicContact CG2-CZ 3.7Å; M770-F778 WeakPolarHBondContact O-CZ 3.49Å; Q773-F778 HydrophobicContact CB-CE2 4.1Å; E774-F778 WeakPolarHBondContact O-CD2 3.5Å; I775-F778 WeakPolarHBondContact O-CB 3.5Å; I775-F778 PolarHBondContact O-N 3.23Å; F778-E780 PolarHBondContact O-N 2.96Å; F778-Q784 PolarHBondContact O-NE2 2.93Å; F778-L788 HydrophobicContact CD1-CD1 3.93Å; F778-L788 HydrophobicContact CE1-CD1 3.83Å |
| 779 | D | 86.4 | Confident | 89.4 | Confident | 26 Ų | 26 | 40.8 Ų | 40.8 | 14% | 0.139 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -14.7 | 175.6 | -66.3 | -22.9 | 0 | 0 | 0 | 113.2 | R227 I775 W777 Y1058 | R227-D779 IonicContact CZ-OD1 2.65Å; R227-D779 IonicContact NH2-OD1 2.81Å; R227-D779 PolarHBondContact NH2-OD1 3.44Å; I775-D779 PolarHBondContact O-N 3.48Å; I775-D779 VanDerWaalsContact O-N 3.14Å; W777-D779 VanDerWaalsContact C-N 3.28Å; W777-D779 PolarHBondContact O-N 2.93Å; D779-Y1058 WeakPolarHBondContact OD2-CE1 3.31Å; D779-Y1058 PolarHBondContact OD2-OH 3.22Å |
| 780 | E | 84.7 | Confident | 89.2 | Confident | 73 Ų | 73 | 42.6 Ų | 42.6 | 34% | 0.341 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -67.9 | 138.3 | 175.1 | -67.7 | -177.5 | 174 | 0 | 0 | 110.6 | W777 F778 E782 N783 Q784 | W777-E780 PolarHBondContact O-N 3.29Å; F778-E780 PolarHBondContact O-N 2.96Å; E780-E782 PolarHBondContact O-N 2.94Å; E780-E782 VanDerWaalsContact O-N 3.11Å; E780-N783 PolarHBondContact O-N 2.98Å; E780-N783 PolarHBondContact OE2-ND2 2.64Å; E780-Q784 PolarHBondContact O-NE2 3.11Å |
| 781 | P | 77.1 | Confident | 88.9 | Confident | 108 Ų | 108 | 44.8 Ų | 44.8 | 70% | 0.701 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -57.5 | -28.2 | 179.4 | -26.4 | 34.5 | 0 | 0 | 0 | 114.3 | N783 Q784 | P781-N783 VanDerWaalsContact C-N 3.31Å; P781-Q784 WeakPolarHBondContact O-CG 3.49Å |
| 782 | E | 83 | Confident | 88.8 | Confident | 162 Ų | 162 | 44.6 Ų | 44.6 | 76% | 0.757 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -74.1 | -21.2 | 178.5 | -60.3 | -175.1 | -173.5 | 0 | 0 | 113.1 | E780 | E780-E782 PolarHBondContact O-N 2.94Å; E780-E782 VanDerWaalsContact O-N 3.11Å |
| 783 | N | 89.7 | Confident | 88.7 | Confident | 12 Ų | 12 | 39.2 Ų | 39.2 | 6% | 0.064 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -111.5 | 23.1 | -172.7 | -53.6 | -41.9 | 0 | 0 | 0 | 112.6 | W777 E780 P781 L788 | W777-N783 HydrophobicContact CD2-CB 4.25Å; W777-N783 VanDerWaalsContact CE2-CG 3.43Å; W777-N783 VanDerWaalsContact CE2-ND2 3.28Å; W777-N783 HydrophobicContact CE3-CB 4.27Å; W777-N783 HydrophobicContact CH2-CB 4.14Å; W777-N783 HydrophobicContact CZ2-CB 4.07Å; W777-N783 VanDerWaalsContact CZ2-CG 3.44Å; W777-N783 VanDerWaalsContact CZ2-OD1 3.29Å; W777-N783 WeakPolarHBondContact CZ2-OD1 3.28Å; W777-N783 HydrophobicContact CZ3-CB 4.23Å; W777-N783 PolarHBondContact NE1-ND2 3.28Å; W777-N783 VanDerWaalsContact O-CB 3.25Å; W777-N783 WeakPolarHBondContact O-CB 3.28Å; W777-N783 PolarHBondContact O-ND2 3.4Å; E780-N783 PolarHBondContact O-N 2.98Å; E780-N783 PolarHBondContact OE2-ND2 2.64Å; P781-N783 VanDerWaalsContact C-N 3.31Å; N783-L788 HydrophobicContact CB-CD1 4.34Å; N783-L788 HydrophobicContact CB-CD2 4.19Å; N783-L788 HydrophobicContact CB-CG 4.45Å; N783-L788 WeakPolarHBondContact O-CD1 3.25Å; N783-L788 WeakPolarHBondContact O-CG 3.34Å |
| 784 | Q | 86.9 | Confident | 88.3 | Confident | 96 Ų | 96 | 42.3 Ų | 42.3 | 45% | 0.449 | 26% | 0.257 | S | S | . | . | trans | -63.2 | 149 | 172.5 | -62.6 | -61.1 | -41.4 | 0 | 0 | 110.9 | F778 E780 P781 G786 A787 L788 | F778-Q784 PolarHBondContact O-NE2 2.93Å; E780-Q784 PolarHBondContact O-NE2 3.11Å; P781-Q784 WeakPolarHBondContact O-CG 3.49Å; Q784-G786 VanDerWaalsContact C-N 3.26Å; Q784-G786 PolarHBondContact O-N 3.49Å; Q784-G786 VanDerWaalsContact O-N 3.09Å; Q784-A787 PolarHBondContact O-N 3.12Å; Q784-L788 PolarHBondContact O-N 3.4Å | ||
| 785 | A | 88.2 | Confident | 88.2 | Confident | 22 Ų | 22 | 43.4 Ų | 43.4 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -51.6 | -40.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L223 E224 T789 | L223-A785 HydrophobicContact CB-CB 3.82Å; E224-A785 HydrophobicContact CB-CB 4.18Å; A785-T789 WeakPolarHBondContact O-CB 3.31Å; A785-T789 PolarHBondContact O-N 3.25Å; A785-T789 PolarHBondContact O-OG1 3.07Å |
| 786 | G | 87.2 | Confident | 87.9 | Confident | 56 Ų | 56 | 43.4 Ų | 43.4 | 58% | 0.577 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -64.2 | -43.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q784 T789 A790 | Q784-G786 VanDerWaalsContact C-N 3.26Å; Q784-G786 PolarHBondContact O-N 3.49Å; Q784-G786 VanDerWaalsContact O-N 3.09Å; G786-T789 PolarHBondContact O-N 3.09Å; G786-A790 WeakPolarHBondContact O-CB 3.38Å; G786-A790 PolarHBondContact O-N 3.28Å |
| 787 | A | 88.1 | Confident | 87.7 | Confident | 49 Ų | 49 | 45.3 Ų | 45.3 | 41% | 0.405 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.3 | -43.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q784 A790 K791 | Q784-A787 PolarHBondContact O-N 3.12Å; A787-A790 PolarHBondContact O-N 3.25Å; A787-K791 WeakPolarHBondContact O-CB 3.42Å; A787-K791 PolarHBondContact O-N 3.47Å |
| 788 | L | 91.9 | Very high | 87.3 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.2 | -40 | 177.1 | -64.3 | -174.9 | 0 | 0 | 0 | 112.5 | L223 M770 W777 F778 N783 Q784 K791 L792 | L223-L788 HydrophobicContact CD1-CB 3.81Å; L223-L788 HydrophobicContact CD2-CD1 4.12Å; M770-L788 HydrophobicContact CE-CB 4.07Å; M770-L788 HydrophobicContact CE-CD2 3.93Å; M770-L788 HydrophobicContact CE-CG 4.48Å; M770-L788 HydrophobicContact SD-CB 4.13Å; M770-L788 HydrophobicContact SD-CD1 4.43Å; W777-L788 HydrophobicContact CH2-CD1 3.8Å; W777-L788 HydrophobicContact CH2-CD2 3.54Å; W777-L788 HydrophobicContact CH2-CG 4.34Å; W777-L788 HydrophobicContact CZ2-CD2 4.28Å; W777-L788 HydrophobicContact CZ3-CD1 3.61Å; W777-L788 HydrophobicContact CZ3-CD2 4.24Å; F778-L788 HydrophobicContact CD1-CD1 3.93Å; F778-L788 HydrophobicContact CE1-CD1 3.83Å; N783-L788 HydrophobicContact CB-CD1 4.34Å; N783-L788 HydrophobicContact CB-CD2 4.19Å; N783-L788 HydrophobicContact CB-CG 4.45Å; N783-L788 WeakPolarHBondContact O-CD1 3.25Å; N783-L788 WeakPolarHBondContact O-CG 3.34Å; Q784-L788 PolarHBondContact O-N 3.4Å; L788-K791 WeakPolarHBondContact O-CB 3.47Å; L788-K791 PolarHBondContact O-N 2.86Å; L788-L792 PolarHBondContact O-N 2.91Å |
| 789 | T | 91.4 | Very high | 86.7 | Confident | 29 Ų | 29 | 47.7 Ų | 47.7 | 18% | 0.178 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 175.4 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | G220 A785 G786 K791 L792 A793 | G220-T789 WeakPolarHBondContact CA-OG1 3.36Å; A785-T789 WeakPolarHBondContact O-CB 3.31Å; A785-T789 PolarHBondContact O-N 3.25Å; A785-T789 PolarHBondContact O-OG1 3.07Å; G786-T789 PolarHBondContact O-N 3.09Å; T789-K791 VanDerWaalsContact C-N 3.32Å; T789-K791 PolarHBondContact O-N 3.45Å; T789-L792 PolarHBondContact O-N 3.17Å; T789-A793 WeakPolarHBondContact O-CB 3.38Å; T789-A793 PolarHBondContact O-N 3.34Å |
| 790 | A | 88.6 | Confident | 86.2 | Confident | 49 Ų | 49 | 47.3 Ų | 47.3 | 41% | 0.405 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.9 | -37.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G786 A787 A793 T794 | G786-A790 WeakPolarHBondContact O-CB 3.38Å; G786-A790 PolarHBondContact O-N 3.28Å; A787-A790 PolarHBondContact O-N 3.25Å; A790-A793 PolarHBondContact O-N 3.37Å; A790-T794 WeakPolarHBondContact O-CB 3.5Å; A790-T794 PolarHBondContact O-N 3.12Å; A790-T794 PolarHBondContact O-OG1 3.1Å |
| 791 | K | 88.8 | Confident | 85.7 | Confident | 45 Ų | 45 | 46.7 Ų | 46.7 | 20% | 0.196 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.1 | -47.1 | 175.4 | -162.3 | 175 | -175.3 | 177.5 | 0 | 111.6 | A787 L788 T789 A793 E795 | A787-K791 WeakPolarHBondContact O-CB 3.42Å; A787-K791 PolarHBondContact O-N 3.47Å; L788-K791 WeakPolarHBondContact O-CB 3.47Å; L788-K791 PolarHBondContact O-N 2.86Å; T789-K791 VanDerWaalsContact C-N 3.32Å; T789-K791 PolarHBondContact O-N 3.45Å; K791-A793 VanDerWaalsContact C-N 3.31Å; K791-A793 PolarHBondContact O-N 2.75Å; K791-E795 WeakPolarHBondContact CE-OE2 3.43Å; K791-E795 HydrophobicContact CG-CB 4.26Å; K791-E795 HydrophobicContact CG-CG 3.95Å; K791-E795 VanDerWaalsContact CG-OE2 3.28Å; K791-E795 WeakPolarHBondContact CG-OE2 3.43Å; K791-E795 WeakPolarHBondContact O-CB 3.34Å; K791-E795 PolarHBondContact O-N 3.44Å |
| 792 | L | 91 | Very high | 85.5 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.7 | -37.3 | 174.5 | -78 | 165.3 | 0 | 0 | 0 | 112.9 | A219 L223 R763 V766 F767 M770 L788 T789 A796 | A219-L792 HydrophobicContact CB-CD1 4.17Å; L223-L792 HydrophobicContact CD1-CD1 4.37Å; R763-L792 PolarHBondContact NE-O 2.93Å; V766-L792 HydrophobicContact CB-CD2 3.96Å; V766-L792 HydrophobicContact CG1-CD2 3.6Å; V766-L792 HydrophobicContact CG1-CG 4.41Å; F767-L792 HydrophobicContact CB-CD2 4.25Å; F767-L792 HydrophobicContact CD2-CD1 3.85Å; M770-L792 HydrophobicContact CE-CD1 4.33Å; M770-L792 HydrophobicContact CE-CD2 4.43Å; M770-L792 HydrophobicContact CE-CG 3.98Å; M770-L792 HydrophobicContact SD-CD1 3.84Å; M770-L792 HydrophobicContact SD-CG 4.11Å; L788-L792 PolarHBondContact O-N 2.91Å; T789-L792 PolarHBondContact O-N 3.17Å; L792-A796 VanDerWaalsContact O-CB 3.3Å; L792-A796 WeakPolarHBondContact O-CB 3.4Å |
| 793 | A | 88.4 | Confident | 85.1 | Confident | 28 Ų | 28 | 35.2 Ų | 35.2 | 23% | 0.231 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -73 | -48.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y212 T789 A790 K791 T797 | Y212-A793 HydrophobicContact CE1-CB 3.5Å; Y212-A793 VanDerWaalsContact CE1-CB 3.5Å; Y212-A793 WeakPolarHBondContact OH-CA 3.33Å; Y212-A793 PolarHBondContact OH-N 2.9Å; T789-A793 WeakPolarHBondContact O-CB 3.38Å; T789-A793 PolarHBondContact O-N 3.34Å; A790-A793 PolarHBondContact O-N 3.37Å; K791-A793 VanDerWaalsContact C-N 3.31Å; K791-A793 PolarHBondContact O-N 2.75Å; A793-T797 PolarHBondContact O-OG1 3.15Å |
| 794 | T | 86.2 | Confident | 84.3 | Confident | 75 Ų | 75 | 34.8 Ų | 34.8 | 46% | 0.46 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -97.2 | -51.9 | -167.3 | 61 | 0 | 0 | 0 | 0 | 112.8 | A790 A796 T797 K798 | A790-T794 WeakPolarHBondContact O-CB 3.5Å; A790-T794 PolarHBondContact O-N 3.12Å; A790-T794 PolarHBondContact O-OG1 3.1Å; T794-A796 PolarHBondContact O-N 3.2Å; T794-T797 PolarHBondContact O-N 3.05Å; T794-K798 WeakPolarHBondContact O-CG 3.18Å; T794-K798 PolarHBondContact O-N 3.41Å |
| 795 | E | 87.6 | Confident | 83.7 | Confident | 34 Ų | 34 | 32.4 Ų | 32.4 | 16% | 0.159 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.9 | -42.3 | -176.1 | -66.7 | -165.5 | 169.3 | 0 | 0 | 111.1 | K791 T797 K798 M799 A976 N979 I980 | K791-E795 WeakPolarHBondContact CE-OE2 3.43Å; K791-E795 HydrophobicContact CG-CB 4.26Å; K791-E795 HydrophobicContact CG-CG 3.95Å; K791-E795 VanDerWaalsContact CG-OE2 3.28Å; K791-E795 WeakPolarHBondContact CG-OE2 3.43Å; K791-E795 WeakPolarHBondContact O-CB 3.34Å; K791-E795 PolarHBondContact O-N 3.44Å; E795-T797 VanDerWaalsContact C-N 3.28Å; E795-T797 PolarHBondContact O-N 2.95Å; E795-K798 WeakPolarHBondContact O-CB 3.31Å; E795-K798 PolarHBondContact O-N 3.4Å; E795-K798 VanDerWaalsContact O-N 3.13Å; E795-M799 WeakPolarHBondContact O-CG 3.46Å; E795-M799 PolarHBondContact O-N 3.22Å; E795-M799 VanDerWaalsContact O-N 3.13Å; E795-A976 HydrophobicContact CB-CB 3.89Å; E795-A976 HydrophobicContact CG-CB 4.04Å; E795-N979 PolarHBondContact OE1-ND2 3.14Å; E795-N979 VanDerWaalsContact OE2-CB 3.32Å; E795-N979 WeakPolarHBondContact OE2-CB 3.39Å; E795-I980 HydrophobicContact CB-CD1 3.89Å; E795-I980 HydrophobicContact CB-CG1 4.36Å |
| 796 | A | 85.8 | Confident | 83.2 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 2% | 0.017 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.1 | -34.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I762 R763 L792 T794 M799 | I762-A796 HydrophobicContact CG2-CB 4.02Å; R763-A796 HydrophobicContact CG-CB 3.6Å; L792-A796 VanDerWaalsContact O-CB 3.3Å; L792-A796 WeakPolarHBondContact O-CB 3.4Å; T794-A796 PolarHBondContact O-N 3.2Å; A796-M799 WeakPolarHBondContact O-CB 3.43Å; A796-M799 PolarHBondContact O-N 2.85Å |
| 797 | T | 85.9 | Confident | 82.7 | Confident | 56 Ų | 56 | 32 Ų | 32 | 34% | 0.344 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -70.7 | -38.6 | 175.5 | -50.9 | 0 | 0 | 0 | 0 | 111.2 | R763 A793 T794 E795 M799 A800 | R763-T797 PolarHBondContact NH2-OG1 3.42Å; A793-T797 PolarHBondContact O-OG1 3.15Å; T794-T797 PolarHBondContact O-N 3.05Å; E795-T797 VanDerWaalsContact C-N 3.28Å; E795-T797 PolarHBondContact O-N 2.95Å; T797-M799 PolarHBondContact O-N 3.36Å; T797-A800 VanDerWaalsContact O-CB 3.31Å; T797-A800 WeakPolarHBondContact O-CB 3.36Å; T797-A800 PolarHBondContact O-N 3.46Å; T797-A800 VanDerWaalsContact O-N 3.11Å |
| 798 | K | 84.2 | Confident | 82.5 | Confident | 75 Ų | 75 | 29.6 Ų | 29.6 | 33% | 0.326 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.1 | -25.7 | 174 | -68.8 | -176.7 | -174.7 | -153.2 | 0 | 112.6 | T794 E795 A800 M801 E972 S973 A976 | T794-K798 WeakPolarHBondContact O-CG 3.18Å; T794-K798 PolarHBondContact O-N 3.41Å; E795-K798 WeakPolarHBondContact O-CB 3.31Å; E795-K798 PolarHBondContact O-N 3.4Å; E795-K798 VanDerWaalsContact O-N 3.13Å; K798-A800 VanDerWaalsContact C-N 3.25Å; K798-A800 PolarHBondContact O-N 3.19Å; K798-M801 WeakPolarHBondContact O-CB 3.49Å; K798-M801 VanDerWaalsContact O-CG 3.28Å; K798-M801 WeakPolarHBondContact O-CG 3.48Å; K798-M801 PolarHBondContact O-N 3.39Å; K798-E972 HydrophobicContact CD-CB 4.5Å; K798-E972 IonicContact NZ-OE2 3.86Å; K798-E972 PolarHBondContact NZ-OE2 2.87Å; K798-S973 WeakPolarHBondContact O-CB 3.23Å; K798-A976 HydrophobicContact CB-CB 4.18Å |
| 799 | M | 79.6 | Confident | 82 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.6 | -30 | 175 | -60.9 | -52.5 | -71.8 | 0 | 0 | 113.3 | V674 I762 E795 A796 T797 M801 I802 A976 A977 I980 | V674-M799 HydrophobicContact CB-CE 3.81Å; V674-M799 HydrophobicContact CG1-CE 3.37Å; V674-M799 HydrophobicContact CG2-CE 3.07Å; I762-M799 HydrophobicContact CD1-CB 3.57Å; I762-M799 HydrophobicContact CD1-CG 3.95Å; I762-M799 HydrophobicContact CG2-CG 4.45Å; E795-M799 WeakPolarHBondContact O-CG 3.46Å; E795-M799 PolarHBondContact O-N 3.22Å; E795-M799 VanDerWaalsContact O-N 3.13Å; A796-M799 WeakPolarHBondContact O-CB 3.43Å; A796-M799 PolarHBondContact O-N 2.85Å; T797-M799 PolarHBondContact O-N 3.36Å; M799-M801 PolarHBondContact O-N 3.42Å; M799-I802 HydrophobicContact CE-CD1 4.17Å; M799-I802 PolarHBondContact O-N 2.8Å; M799-I802 VanDerWaalsContact O-N 3.15Å; M799-A976 HydrophobicContact SD-CB 4.27Å; M799-A977 VanDerWaalsContact CE-CA 3.49Å; M799-A977 HydrophobicContact CE-CB 3.39Å; M799-A977 WeakPolarHBondContact SD-CA 3.42Å; M799-A977 HydrophobicContact SD-CB 3.66Å; M799-A977 PolarHBondContact SD-N 3.02Å; M799-A977 VanDerWaalsContact SD-N 3.4Å; M799-I980 HydrophobicContact CG-CD1 3.5Å; M799-I980 HydrophobicContact SD-CD1 3.98Å |
| 800 | A | 75.2 | Confident | 81.5 | Confident | 19 Ų | 19 | 34.9 Ų | 34.9 | 16% | 0.157 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -62.1 | -26.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I759 T797 K798 I802 S803 | I759-A800 HydrophobicContact CD1-CB 3.67Å; I759-A800 HydrophobicContact CG1-CB 3.71Å; T797-A800 VanDerWaalsContact O-CB 3.31Å; T797-A800 WeakPolarHBondContact O-CB 3.36Å; T797-A800 PolarHBondContact O-N 3.46Å; T797-A800 VanDerWaalsContact O-N 3.11Å; K798-A800 VanDerWaalsContact C-N 3.25Å; K798-A800 PolarHBondContact O-N 3.19Å; A800-I802 PolarHBondContact O-N 3.02Å; A800-S803 CarbonylContact O-C 3.16Å; A800-S803 PolarHBondContact O-N 3.39Å |
| 801 | M | 74.1 | Confident | 81.4 | Confident | 60 Ų | 60 | 34.4 Ų | 34.4 | 30% | 0.296 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -63 | -21.9 | 177.6 | -55.4 | -53.9 | -116.9 | 0 | 0 | 113.4 | K798 M799 S803 Q806 D969 | K798-M801 WeakPolarHBondContact O-CB 3.49Å; K798-M801 VanDerWaalsContact O-CG 3.28Å; K798-M801 WeakPolarHBondContact O-CG 3.48Å; K798-M801 PolarHBondContact O-N 3.39Å; M799-M801 PolarHBondContact O-N 3.42Å; M801-S803 VanDerWaalsContact C-N 3.3Å; M801-Q806 PolarHBondContact O-OE1 3.37Å; M801-Q806 VanDerWaalsContact O-OE1 3.1Å; M801-Q806 HydrophobicContact SD-CG 4.04Å; M801-Q806 PolarHBondContact SD-NE2 3.26Å; M801-Q806 PolarHBondContact SD-OE1 2.86Å; M801-D969 HydrophobicContact CE-CB 4.05Å |
| 802 | I | 74.5 | Confident | 81.3 | Confident | 28 Ų | 28 | 33.8 Ų | 33.8 | 14% | 0.144 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -77.8 | -20.4 | 174.7 | -60.7 | 173 | 0 | 0 | 0 | 111.1 | T671 V674 M799 A800 S973 A977 | T671-I802 HydrophobicContact CG2-CD1 4.3Å; V674-I802 HydrophobicContact CB-CD1 4.43Å; V674-I802 HydrophobicContact CG1-CD1 4.23Å; V674-I802 HydrophobicContact CG1-CG2 4.49Å; M799-I802 HydrophobicContact CE-CD1 4.17Å; M799-I802 PolarHBondContact O-N 2.8Å; M799-I802 VanDerWaalsContact O-N 3.15Å; A800-I802 PolarHBondContact O-N 3.02Å; I802-S973 WeakPolarHBondContact CG1-OG 3.27Å; I802-A977 HydrophobicContact CD1-CB 4.14Å |
| 803 | S | 73.1 | Confident | 81 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -134.6 | -164.7 | -174.4 | 72.1 | 0 | 0 | 0 | 0 | 111.7 | L758 A800 M801 | L758-S803 WeakPolarHBondContact CD2-OG 3.2Å; A800-S803 CarbonylContact O-C 3.16Å; A800-S803 PolarHBondContact O-N 3.39Å; M801-S803 VanDerWaalsContact C-N 3.3Å |
| 804 | G | 74.5 | Confident | 80.9 | Confident | 3 Ų | 3 | 37.2 Ų | 37.2 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | 59 | -139.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L751 Q806 L807 G808 | L751-G804 WeakPolarHBondContact O-CA 3.29Å; G804-Q806 VanDerWaalsContact C-N 3.32Å; G804-Q806 PolarHBondContact O-N 2.72Å; G804-L807 PolarHBondContact O-N 3.46Å; G804-G808 PolarHBondContact O-N 3.42Å |
| 805 | A | 74.4 | Confident | 81.1 | Confident | 46 Ų | 46 | 34.1 Ų | 34.1 | 38% | 0.38 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.7 | -32.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114 | G808 F809 | A805-G808 WeakPolarHBondContact O-CA 3.34Å; A805-G808 PolarHBondContact O-N 2.93Å; A805-F809 HydrophobicContact CB-CE2 4.47Å; A805-F809 WeakPolarHBondContact O-CD2 3.46Å; A805-F809 PolarHBondContact O-N 3.38Å |
| 806 | Q | 76.5 | Confident | 81.2 | Confident | 22 Ų | 22 | 32.7 Ų | 32.7 | 10% | 0.103 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.8 | -41.2 | 179.6 | -71.1 | -152.8 | -25.4 | 0 | 0 | 112.7 | M801 G804 G808 F809 I810 L966 | M801-Q806 PolarHBondContact O-OE1 3.37Å; M801-Q806 VanDerWaalsContact O-OE1 3.1Å; M801-Q806 HydrophobicContact SD-CG 4.04Å; M801-Q806 PolarHBondContact SD-NE2 3.26Å; M801-Q806 PolarHBondContact SD-OE1 2.86Å; G804-Q806 VanDerWaalsContact C-N 3.32Å; G804-Q806 PolarHBondContact O-N 2.72Å; Q806-G808 PolarHBondContact O-N 3.09Å; Q806-F809 PolarHBondContact O-N 3.3Å; Q806-I810 WeakPolarHBondContact O-CG1 3.3Å; Q806-I810 PolarHBondContact O-N 2.91Å; Q806-L966 HydrophobicContact CG-CD2 4.43Å |
| 807 | L | 78 | Confident | 81.2 | Confident | 46 Ų | 46 | 34 Ų | 34 | 24% | 0.241 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56.5 | -42 | 170.5 | -179.3 | 68.7 | 0 | 0 | 0 | 110.3 | I685 G804 F809 I810 I811 | I685-L807 HydrophobicContact CG2-CD2 4.35Å; G804-L807 PolarHBondContact O-N 3.46Å; L807-F809 PolarHBondContact O-N 2.85Å; L807-I810 PolarHBondContact O-N 3.47Å; L807-I811 HydrophobicContact CD1-CD1 4.36Å; L807-I811 HydrophobicContact CG-CD1 4Å; L807-I811 WeakPolarHBondContact O-CG1 3.35Å; L807-I811 PolarHBondContact O-N 3.41Å |
| 808 | G | 82.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.2 | -46.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | C692 G804 A805 Q806 I810 I811 E812 | C692-G808 WeakPolarHBondContact SG-CA 3.36Å; G804-G808 PolarHBondContact O-N 3.42Å; A805-G808 WeakPolarHBondContact O-CA 3.34Å; A805-G808 PolarHBondContact O-N 2.93Å; Q806-G808 PolarHBondContact O-N 3.09Å; G808-I810 VanDerWaalsContact C-N 3.35Å; G808-I810 PolarHBondContact O-N 2.91Å; G808-I811 PolarHBondContact O-N 3.34Å; G808-E812 WeakPolarHBondContact O-CB 3.47Å; G808-E812 PolarHBondContact O-N 3.11Å |
| 809 | F | 81.2 | Confident | 81.8 | Confident | 83 Ų | 83 | 36 Ų | 36 | 36% | 0.364 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.7 | -34.6 | 176.7 | -69.5 | -55.8 | 0 | 0 | 0 | 113.4 | A805 Q806 L807 A813 L966 | A805-F809 HydrophobicContact CB-CE2 4.47Å; A805-F809 WeakPolarHBondContact O-CD2 3.46Å; A805-F809 PolarHBondContact O-N 3.38Å; Q806-F809 PolarHBondContact O-N 3.3Å; L807-F809 PolarHBondContact O-N 2.85Å; F809-A813 VanDerWaalsContact O-CB 3.32Å; F809-A813 WeakPolarHBondContact O-CB 3.1Å; F809-A813 PolarHBondContact O-N 3.27Å; F809-L966 HydrophobicContact CB-CD1 3.49Å; F809-L966 VanDerWaalsContact CB-CD1 3.49Å; F809-L966 HydrophobicContact CG-CD1 4.33Å |
| 810 | I | 81.5 | Confident | 82.2 | Confident | 59 Ų | 59 | 36 Ų | 36 | 30% | 0.303 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.4 | -44.5 | 174.6 | -66.9 | 168.5 | 0 | 0 | 0 | 110.1 | Q806 L807 G808 A813 L814 | Q806-I810 WeakPolarHBondContact O-CG1 3.3Å; Q806-I810 PolarHBondContact O-N 2.91Å; L807-I810 PolarHBondContact O-N 3.47Å; G808-I810 VanDerWaalsContact C-N 3.35Å; G808-I810 PolarHBondContact O-N 2.91Å; I810-A813 PolarHBondContact O-N 3.28Å; I810-L814 HydrophobicContact CG2-CD1 4.06Å; I810-L814 WeakPolarHBondContact O-CG 3.4Å; I810-L814 PolarHBondContact O-N 3.24Å |
| 811 | I | 86 | Confident | 82.9 | Confident | 38 Ų | 38 | 37.2 Ų | 37.2 | 20% | 0.195 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.5 | -44.9 | 177.6 | -67.2 | 170.1 | 0 | 0 | 0 | 110.9 | C689 C692 L693 L807 G808 A813 L814 A815 | C689-I811 HydrophobicContact CB-CD1 4.13Å; C689-I811 WeakPolarHBondContact SG-CD1 3.24Å; C692-I811 HydrophobicContact CB-CB 4.26Å; C692-I811 HydrophobicContact CB-CG2 4Å; L693-I811 HydrophobicContact CD2-CG2 3.83Å; L693-I811 HydrophobicContact CG-CG2 4.21Å; L807-I811 HydrophobicContact CD1-CD1 4.36Å; L807-I811 HydrophobicContact CG-CD1 4Å; L807-I811 WeakPolarHBondContact O-CG1 3.35Å; L807-I811 PolarHBondContact O-N 3.41Å; G808-I811 PolarHBondContact O-N 3.34Å; I811-A813 VanDerWaalsContact C-N 3.33Å; I811-A813 PolarHBondContact O-N 3.2Å; I811-L814 PolarHBondContact O-N 3.46Å; I811-A815 WeakPolarHBondContact O-CB 3.43Å; I811-A815 PolarHBondContact O-N 2.93Å |
| 812 | E | 87.6 | Confident | 83.8 | Confident | 33 Ų | 33 | 37.8 Ų | 37.8 | 15% | 0.154 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.3 | -47 | 175.2 | -179.3 | -177.5 | 167.6 | 0 | 0 | 111.2 | N695 R740 G808 A815 L816 | N695-E812 HydrophobicContact CB-CG 4.32Å; R740-E812 IonicContact NH2-OE1 3.32Å; G808-E812 WeakPolarHBondContact O-CB 3.47Å; G808-E812 PolarHBondContact O-N 3.11Å; E812-A815 PolarHBondContact O-N 3.49Å; E812-L816 WeakPolarHBondContact O-CB 3.17Å; E812-L816 PolarHBondContact O-N 3.4Å |
| 813 | A | 84.6 | Confident | 84.6 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 4% | 0.041 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.8 | -41.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | F809 I810 I811 L816 I817 S963 | F809-A813 VanDerWaalsContact O-CB 3.32Å; F809-A813 WeakPolarHBondContact O-CB 3.1Å; F809-A813 PolarHBondContact O-N 3.27Å; I810-A813 PolarHBondContact O-N 3.28Å; I811-A813 VanDerWaalsContact C-N 3.33Å; I811-A813 PolarHBondContact O-N 3.2Å; A813-L816 PolarHBondContact O-N 3.01Å; A813-I817 WeakPolarHBondContact O-CD1 3.38Å; A813-I817 WeakPolarHBondContact O-CG1 3.3Å; A813-I817 PolarHBondContact O-N 3.11Å; A813-S963 WeakPolarHBondContact CB-OG 3.36Å |
| 814 | L | 87 | Confident | 85.4 | Confident | 95 Ų | 95 | 37.2 Ų | 37.2 | 50% | 0.497 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.4 | -44.9 | 175.9 | -73.5 | 173.1 | 0 | 0 | 0 | 111.3 | I810 I811 L816 I817 I818 | I810-L814 HydrophobicContact CG2-CD1 4.06Å; I810-L814 WeakPolarHBondContact O-CG 3.4Å; I810-L814 PolarHBondContact O-N 3.24Å; I811-L814 PolarHBondContact O-N 3.46Å; L814-L816 VanDerWaalsContact C-N 3.34Å; L814-L816 PolarHBondContact O-N 3.19Å; L814-I817 PolarHBondContact O-N 3.47Å; L814-I818 WeakPolarHBondContact O-CB 3.48Å; L814-I818 VanDerWaalsContact O-CG1 3.23Å; L814-I818 WeakPolarHBondContact O-CG1 3.24Å; L814-I818 PolarHBondContact O-N 2.88Å |
| 815 | A | 89.8 | Confident | 86.3 | Confident | 10 Ų | 10 | 41.2 Ų | 41.2 | 8% | 0.083 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.3 | -45 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L693 I811 E812 M819 | L693-A815 HydrophobicContact CD2-CB 3.84Å; I811-A815 WeakPolarHBondContact O-CB 3.43Å; I811-A815 PolarHBondContact O-N 2.93Å; E812-A815 PolarHBondContact O-N 3.49Å; A815-M819 VanDerWaalsContact O-CB 3.26Å; A815-M819 WeakPolarHBondContact O-CB 3.5Å; A815-M819 WeakPolarHBondContact O-CG 3.03Å; A815-M819 PolarHBondContact O-N 3.45Å |
| 816 | L | 89 | Confident | 87.2 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.7 | -50 | 174.1 | 167.5 | 63.7 | 0 | 0 | 0 | 112 | Q699 P700 E812 A813 L814 S820 S959 | Q699-L816 HydrophobicContact CB-CD1 4.05Å; Q699-L816 HydrophobicContact CG-CD1 4.13Å; P700-L816 HydrophobicContact CG-CD1 3.63Å; E812-L816 WeakPolarHBondContact O-CB 3.17Å; E812-L816 PolarHBondContact O-N 3.4Å; A813-L816 PolarHBondContact O-N 3.01Å; L814-L816 VanDerWaalsContact C-N 3.34Å; L814-L816 PolarHBondContact O-N 3.19Å; L816-S820 WeakPolarHBondContact O-CB 3.24Å; L816-S820 PolarHBondContact O-N 2.95Å; L816-S820 PolarHBondContact O-OG 2.96Å; L816-S959 VanDerWaalsContact CD2-OG 3.28Å; L816-S959 WeakPolarHBondContact CD2-OG 3.32Å |
| 817 | I | 86.4 | Confident | 87.8 | Confident | 29 Ų | 29 | 48.2 Ų | 48.2 | 15% | 0.149 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.5 | -47.6 | -178 | -68.9 | 162.4 | 0 | 0 | 0 | 110.7 | A813 L814 S820 L821 L960 | A813-I817 WeakPolarHBondContact O-CD1 3.38Å; A813-I817 WeakPolarHBondContact O-CG1 3.3Å; A813-I817 PolarHBondContact O-N 3.11Å; L814-I817 PolarHBondContact O-N 3.47Å; I817-S820 PolarHBondContact O-N 2.99Å; I817-L821 HydrophobicContact CG2-CD1 3.85Å; I817-L821 HydrophobicContact CG2-CG 4.43Å; I817-L821 WeakPolarHBondContact O-CB 3.24Å; I817-L821 VanDerWaalsContact O-CG 3.3Å; I817-L821 WeakPolarHBondContact O-CG 3.46Å; I817-L821 PolarHBondContact O-N 3.31Å; I817-L960 HydrophobicContact CD1-CB 4.35Å; I817-L960 HydrophobicContact CD1-CD1 3.87Å; I817-L960 HydrophobicContact CD1-CD2 4.4Å; I817-L960 HydrophobicContact CD1-CG 4.44Å |
| 818 | I | 90.8 | Very high | 88.5 | Confident | 100 Ų | 100 | 46.2 Ų | 46.2 | 51% | 0.513 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.4 | -50.5 | -179.7 | -67.4 | 166.4 | 0 | 0 | 0 | 109.9 | L814 S820 L821 V822 | L814-I818 WeakPolarHBondContact O-CB 3.48Å; L814-I818 VanDerWaalsContact O-CG1 3.23Å; L814-I818 WeakPolarHBondContact O-CG1 3.24Å; L814-I818 PolarHBondContact O-N 2.88Å; I818-S820 PolarHBondContact O-N 2.9Å; I818-L821 PolarHBondContact O-N 3.47Å; I818-V822 HydrophobicContact CG2-CG2 4.37Å; I818-V822 WeakPolarHBondContact O-CB 3.3Å; I818-V822 VanDerWaalsContact O-CG2 3.24Å; I818-V822 WeakPolarHBondContact O-CG2 3.4Å; I818-V822 PolarHBondContact O-N 3.36Å |
| 819 | M | 90.9 | Very high | 89 | Confident | 75 Ų | 75 | 53.4 Ų | 53.4 | 37% | 0.369 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.4 | -42.6 | -179.3 | -69.6 | -60.1 | -63.3 | 0 | 0 | 112.2 | T697 P700 A815 V822 I823 | T697-M819 HydrophobicContact CG2-CG 4.24Å; P700-M819 HydrophobicContact CB-CB 4.23Å; P700-M819 HydrophobicContact CG-CB 3.92Å; A815-M819 VanDerWaalsContact O-CB 3.26Å; A815-M819 WeakPolarHBondContact O-CB 3.5Å; A815-M819 WeakPolarHBondContact O-CG 3.03Å; A815-M819 PolarHBondContact O-N 3.45Å; M819-V822 PolarHBondContact O-N 3.4Å; M819-I823 WeakPolarHBondContact O-CB 3.4Å; M819-I823 WeakPolarHBondContact O-CD1 3.24Å; M819-I823 WeakPolarHBondContact O-CG1 3.25Å; M819-I823 PolarHBondContact O-N 3.32Å |
| 820 | S | 89.3 | Confident | 89.5 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.8 | -43 | 176.1 | -78.9 | 0 | 0 | 0 | 0 | 112.4 | L816 I817 I818 A824 T952 | L816-S820 WeakPolarHBondContact O-CB 3.24Å; L816-S820 PolarHBondContact O-N 2.95Å; L816-S820 PolarHBondContact O-OG 2.96Å; I817-S820 PolarHBondContact O-N 2.99Å; I818-S820 PolarHBondContact O-N 2.9Å; S820-A824 VanDerWaalsContact O-CB 3.26Å; S820-A824 WeakPolarHBondContact O-CB 3.45Å; S820-A824 PolarHBondContact O-N 2.87Å; S820-T952 WeakPolarHBondContact CB-O 3.44Å; S820-T952 PolarHBondContact OG-O 3.2Å |
| 821 | L | 89.9 | Confident | 89.9 | Confident | 45 Ų | 45 | 49.1 Ų | 49.1 | 24% | 0.236 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.1 | -45 | 177.8 | -73.2 | 174.1 | 0 | 0 | 0 | 111.6 | I817 I818 I823 A824 F825 L836 | I817-L821 HydrophobicContact CG2-CD1 3.85Å; I817-L821 HydrophobicContact CG2-CG 4.43Å; I817-L821 WeakPolarHBondContact O-CB 3.24Å; I817-L821 VanDerWaalsContact O-CG 3.3Å; I817-L821 WeakPolarHBondContact O-CG 3.46Å; I817-L821 PolarHBondContact O-N 3.31Å; I818-L821 PolarHBondContact O-N 3.47Å; L821-I823 VanDerWaalsContact C-N 3.34Å; L821-I823 PolarHBondContact O-N 3.02Å; L821-A824 PolarHBondContact O-N 3.45Å; L821-F825 HydrophobicContact CD2-CE2 4.5Å; L821-F825 VanDerWaalsContact O-CD2 3.25Å; L821-F825 WeakPolarHBondContact O-CD2 3.26Å; L821-F825 PolarHBondContact O-N 3.16Å; L821-L836 HydrophobicContact CD2-CD1 3.81Å |
| 822 | V | 92.5 | Very high | 90.2 | Very high | 71 Ų | 71 | 47.3 Ų | 47.3 | 43% | 0.43 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -57.8 | -48.9 | 177.1 | 169.3 | 0 | 0 | 0 | 0 | 110.4 | I818 M819 A824 F825 I826 | I818-V822 HydrophobicContact CG2-CG2 4.37Å; I818-V822 WeakPolarHBondContact O-CB 3.3Å; I818-V822 VanDerWaalsContact O-CG2 3.24Å; I818-V822 WeakPolarHBondContact O-CG2 3.4Å; I818-V822 PolarHBondContact O-N 3.36Å; M819-V822 PolarHBondContact O-N 3.4Å; V822-A824 PolarHBondContact O-N 2.99Å; V822-F825 PolarHBondContact O-N 3.2Å; V822-I826 HydrophobicContact CG1-CD1 3.7Å; V822-I826 WeakPolarHBondContact O-CD1 3.39Å; V822-I826 VanDerWaalsContact O-CG1 3.23Å; V822-I826 WeakPolarHBondContact O-CG1 3.3Å; V822-I826 PolarHBondContact O-N 3.3Å; V822-I826 VanDerWaalsContact O-N 3.07Å |
| 823 | I | 91.2 | Very high | 90.4 | Very high | 18 Ų | 18 | 49.7 Ų | 49.7 | 9% | 0.092 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.1 | -46.4 | 177.6 | -68.8 | 164.3 | 0 | 0 | 0 | 110.6 | P700 L704 M819 L821 F825 I826 Y827 T952 | P700-I823 HydrophobicContact CB-CD1 3.75Å; L704-I823 HydrophobicContact CD1-CD1 3.96Å; L704-I823 HydrophobicContact CD2-CG2 3.77Å; L704-I823 HydrophobicContact CG-CD1 4.31Å; L704-I823 HydrophobicContact CG-CG2 4.45Å; M819-I823 WeakPolarHBondContact O-CB 3.4Å; M819-I823 WeakPolarHBondContact O-CD1 3.24Å; M819-I823 WeakPolarHBondContact O-CG1 3.25Å; M819-I823 PolarHBondContact O-N 3.32Å; L821-I823 VanDerWaalsContact C-N 3.34Å; L821-I823 PolarHBondContact O-N 3.02Å; I823-F825 PolarHBondContact O-N 3.41Å; I823-I826 PolarHBondContact O-N 3.05Å; I823-Y827 HydrophobicContact CG2-CD2 3.85Å; I823-Y827 HydrophobicContact CG2-CE2 3.85Å; I823-Y827 WeakPolarHBondContact O-CD2 3.22Å; I823-Y827 PolarHBondContact O-N 3.29Å; I823-T952 HydrophobicContact CB-CG2 4.37Å; I823-T952 HydrophobicContact CG2-CG2 3.8Å |
| 824 | A | 90.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.1 | -46.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S820 L821 V822 I826 Y827 S828 T832 V949 I953 | S820-A824 VanDerWaalsContact O-CB 3.26Å; S820-A824 WeakPolarHBondContact O-CB 3.45Å; S820-A824 PolarHBondContact O-N 2.87Å; L821-A824 PolarHBondContact O-N 3.45Å; V822-A824 PolarHBondContact O-N 2.99Å; A824-I826 PolarHBondContact O-N 3.44Å; A824-Y827 PolarHBondContact O-N 2.94Å; A824-S828 CarbonylContact O-C 3.59Å; A824-S828 PolarHBondContact O-N 3.49Å; A824-T832 HydrophobicContact CB-CG2 3.91Å; A824-T832 WeakPolarHBondContact CB-OG1 3.23Å; A824-T832 PolarHBondContact O-OG1 3.43Å; A824-V949 HydrophobicContact CB-CG1 4.3Å; A824-I953 HydrophobicContact CB-CD1 3.93Å; A824-I953 HydrophobicContact CB-CG1 3.83Å |
| 825 | F | 93.2 | Very high | 90.6 | Very high | 87 Ų | 87 | 47.8 Ų | 47.8 | 38% | 0.382 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.9 | -34.6 | 178.7 | -85.7 | -71.5 | 0 | 0 | 0 | 113.5 | L821 V822 I823 Y827 W829 T832 L833 | L821-F825 HydrophobicContact CD2-CE2 4.5Å; L821-F825 VanDerWaalsContact O-CD2 3.25Å; L821-F825 WeakPolarHBondContact O-CD2 3.26Å; L821-F825 PolarHBondContact O-N 3.16Å; V822-F825 PolarHBondContact O-N 3.2Å; I823-F825 PolarHBondContact O-N 3.41Å; F825-Y827 VanDerWaalsContact C-N 3.34Å; F825-W829 HydrophobicContact CD1-CB 3.93Å; F825-W829 HydrophobicContact CE1-CB 4.45Å; F825-T832 HydrophobicContact CD1-CG2 4.13Å; F825-T832 HydrophobicContact CD2-CG2 3.84Å; F825-T832 HydrophobicContact CE1-CG2 3.97Å; F825-T832 HydrophobicContact CE2-CG2 3.66Å; F825-T832 HydrophobicContact CG-CG2 4.06Å; F825-T832 HydrophobicContact CZ-CG2 3.72Å; F825-L833 HydrophobicContact CE1-CD2 4.26Å; F825-L833 HydrophobicContact CE1-CG 4.45Å; F825-L833 HydrophobicContact CZ-CD2 4.33Å |
| 826 | I | 93.1 | Very high | 90.5 | Very high | 128 Ų | 128 | 50.5 Ų | 50.5 | 66% | 0.656 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -63.6 | -40.5 | 176.7 | -71.7 | 166.6 | 0 | 0 | 0 | 111.1 | V822 I823 A824 | V822-I826 HydrophobicContact CG1-CD1 3.7Å; V822-I826 WeakPolarHBondContact O-CD1 3.39Å; V822-I826 VanDerWaalsContact O-CG1 3.23Å; V822-I826 WeakPolarHBondContact O-CG1 3.3Å; V822-I826 PolarHBondContact O-N 3.3Å; V822-I826 VanDerWaalsContact O-N 3.07Å; I823-I826 PolarHBondContact O-N 3.05Å; A824-I826 PolarHBondContact O-N 3.44Å |
| 827 | Y | 90.2 | Very high | 90.5 | Very high | 86 Ų | 86 | 53.6 Ų | 53.6 | 34% | 0.337 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -83.9 | -40.7 | -176.2 | -76.1 | -66.5 | 0 | 0 | 0 | 114 | L704 I823 A824 F825 R948 | L704-Y827 HydrophobicContact CD2-CE2 3.94Å; I823-Y827 HydrophobicContact CG2-CD2 3.85Å; I823-Y827 HydrophobicContact CG2-CE2 3.85Å; I823-Y827 WeakPolarHBondContact O-CD2 3.22Å; I823-Y827 PolarHBondContact O-N 3.29Å; A824-Y827 PolarHBondContact O-N 2.94Å; F825-Y827 VanDerWaalsContact C-N 3.34Å; Y827-R948 HydrophobicContact CD2-CB 4.2Å; Y827-R948 HydrophobicContact CG-CB 4.43Å; Y827-R948 VanDerWaalsContact CZ-NH1 3.34Å; Y827-R948 PolarHBondContact OH-NH1 3.15Å |
| 828 | S | 91.7 | Very high | 90.5 | Very high | 4 Ų | 4 | 54.4 Ų | 54.4 | 3% | 0.028 | 28% | 0.275 | C | S | . | . | trans | -160.3 | 109.5 | 170.2 | 176.4 | 0 | 0 | 0 | 0 | 110.7 | A824 Q830 L831 T832 | A824-S828 CarbonylContact O-C 3.59Å; A824-S828 PolarHBondContact O-N 3.49Å; S828-Q830 VanDerWaalsContact C-N 3.33Å; S828-Q830 PolarHBondContact OG-OE1 2.99Å; S828-Q830 VanDerWaalsContact OG-OE1 3.08Å; S828-L831 WeakPolarHBondContact OG-CB 3.45Å; S828-L831 PolarHBondContact OG-N 3.27Å; S828-T832 VanDerWaalsContact O-CB 3.31Å; S828-T832 WeakPolarHBondContact O-CB 3.49Å; S828-T832 PolarHBondContact O-N 3.47Å; S828-T832 VanDerWaalsContact O-N 3.15Å; S828-T832 PolarHBondContact O-OG1 2.88Å | ||
| 829 | W | 92.4 | Very high | 89.9 | Confident | 151 Ų | 151 | 50.8 Ų | 50.8 | 57% | 0.572 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -66.7 | -34.8 | 173.6 | 72.8 | -91 | 0 | 0 | 0 | 111.9 | F825 T832 L833 | F825-W829 HydrophobicContact CD1-CB 3.93Å; F825-W829 HydrophobicContact CE1-CB 4.45Å; W829-T832 PolarHBondContact O-N 3.25Å; W829-L833 HydrophobicContact CE3-CD1 3.53Å; W829-L833 HydrophobicContact CE3-CG 4.4Å; W829-L833 HydrophobicContact CZ3-CD1 3.6Å; W829-L833 WeakPolarHBondContact O-CG 3.4Å; W829-L833 PolarHBondContact O-N 3.49Å; W829-L833 VanDerWaalsContact O-N 3.08Å |
| 830 | Q | 92.6 | Very high | 89.5 | Confident | 52 Ų | 52 | 50.7 Ų | 50.7 | 24% | 0.243 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.5 | -48.4 | -178.9 | -55.2 | 100.9 | -16.8 | 0 | 0 | 111.5 | S828 L935 | S828-Q830 VanDerWaalsContact C-N 3.33Å; S828-Q830 PolarHBondContact OG-OE1 2.99Å; S828-Q830 VanDerWaalsContact OG-OE1 3.08Å; Q830-L935 HydrophobicContact CB-CD1 4.08Å |
| 831 | L | 90.2 | Very high | 89.1 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.5 | -39.9 | 180 | -175.3 | 61.4 | 0 | 0 | 0 | 111.1 | S828 L833 V834 V835 A928 L931 V946 V949 | S828-L831 WeakPolarHBondContact OG-CB 3.45Å; S828-L831 PolarHBondContact OG-N 3.27Å; L831-L833 PolarHBondContact O-N 3.39Å; L831-V834 PolarHBondContact O-N 2.95Å; L831-V835 WeakPolarHBondContact O-CG2 3.3Å; L831-V835 PolarHBondContact O-N 3.29Å; L831-A928 HydrophobicContact CD1-CB 4.23Å; L831-A928 VanDerWaalsContact CD1-O 3.27Å; L831-A928 WeakPolarHBondContact CD1-O 3.31Å; L831-L931 HydrophobicContact CD1-CB 4.38Å; L831-L931 HydrophobicContact CD1-CD2 4.35Å; L831-V946 HydrophobicContact CD2-CB 4.38Å; L831-V946 HydrophobicContact CD2-CG1 4.14Å; L831-V949 HydrophobicContact CB-CG1 4.15Å; L831-V949 HydrophobicContact CD2-CB 3.82Å; L831-V949 HydrophobicContact CD2-CG1 3.83Å; L831-V949 HydrophobicContact CD2-CG2 4.38Å; L831-V949 HydrophobicContact CG-CB 4.34Å; L831-V949 HydrophobicContact CG-CG1 3.79Å |
| 832 | T | 91.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.5 | -44 | 178.4 | -60.3 | 0 | 0 | 0 | 0 | 112 | A824 F825 S828 W829 V834 V835 L836 I953 | A824-T832 HydrophobicContact CB-CG2 3.91Å; A824-T832 WeakPolarHBondContact CB-OG1 3.23Å; A824-T832 PolarHBondContact O-OG1 3.43Å; F825-T832 HydrophobicContact CD1-CG2 4.13Å; F825-T832 HydrophobicContact CD2-CG2 3.84Å; F825-T832 HydrophobicContact CE1-CG2 3.97Å; F825-T832 HydrophobicContact CE2-CG2 3.66Å; F825-T832 HydrophobicContact CG-CG2 4.06Å; F825-T832 HydrophobicContact CZ-CG2 3.72Å; S828-T832 VanDerWaalsContact O-CB 3.31Å; S828-T832 WeakPolarHBondContact O-CB 3.49Å; S828-T832 PolarHBondContact O-N 3.47Å; S828-T832 VanDerWaalsContact O-N 3.15Å; S828-T832 PolarHBondContact O-OG1 2.88Å; W829-T832 PolarHBondContact O-N 3.25Å; T832-V834 VanDerWaalsContact C-N 3.34Å; T832-V834 PolarHBondContact O-N 3.05Å; T832-V835 PolarHBondContact O-N 2.95Å; T832-L836 VanDerWaalsContact O-CB 3.23Å; T832-L836 WeakPolarHBondContact O-CB 3.41Å; T832-L836 PolarHBondContact O-N 2.7Å; T832-I953 HydrophobicContact CG2-CD1 4.01Å |
| 833 | L | 91.4 | Very high | 87.6 | Confident | 82 Ų | 82 | 52.9 Ų | 52.9 | 43% | 0.429 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61 | -40 | 178.6 | -74.4 | 177.4 | 0 | 0 | 0 | 112.9 | F825 W829 L831 L836 A837 | F825-L833 HydrophobicContact CE1-CD2 4.26Å; F825-L833 HydrophobicContact CE1-CG 4.45Å; F825-L833 HydrophobicContact CZ-CD2 4.33Å; W829-L833 HydrophobicContact CE3-CD1 3.53Å; W829-L833 HydrophobicContact CE3-CG 4.4Å; W829-L833 HydrophobicContact CZ3-CD1 3.6Å; W829-L833 WeakPolarHBondContact O-CG 3.4Å; W829-L833 PolarHBondContact O-N 3.49Å; W829-L833 VanDerWaalsContact O-N 3.08Å; L831-L833 PolarHBondContact O-N 3.39Å; L833-L836 PolarHBondContact O-N 2.88Å; L833-A837 PolarHBondContact O-N 3.38Å; L833-A837 VanDerWaalsContact O-N 3.13Å |
| 834 | V | 90.2 | Very high | 87 | Confident | 50 Ų | 50 | 56.7 Ų | 56.7 | 30% | 0.303 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.7 | -44.1 | 178.8 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | L831 T832 L836 A837 F838 A927 L931 | L831-V834 PolarHBondContact O-N 2.95Å; T832-V834 VanDerWaalsContact C-N 3.34Å; T832-V834 PolarHBondContact O-N 3.05Å; V834-L836 VanDerWaalsContact C-N 3.3Å; V834-L836 PolarHBondContact O-N 2.89Å; V834-A837 WeakPolarHBondContact O-CB 3.28Å; V834-A837 PolarHBondContact O-N 3.5Å; V834-F838 WeakPolarHBondContact O-CD2 3.21Å; V834-A927 HydrophobicContact CG1-CB 4.03Å; V834-L931 HydrophobicContact CB-CD2 4.11Å; V834-L931 HydrophobicContact CG2-CD2 3.5Å; V834-L931 VanDerWaalsContact CG2-CD2 3.5Å |
| 835 | V | 86.2 | Confident | 86.4 | Confident | 11 Ų | 11 | 56.9 Ų | 56.9 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.8 | -37.1 | 177.3 | -174 | 0 | 0 | 0 | 0 | 110.6 | L831 T832 A837 F838 A928 I953 | L831-V835 WeakPolarHBondContact O-CG2 3.3Å; L831-V835 PolarHBondContact O-N 3.29Å; T832-V835 PolarHBondContact O-N 2.95Å; V835-A837 PolarHBondContact O-N 3.35Å; V835-F838 PolarHBondContact O-N 2.94Å; V835-F838 VanDerWaalsContact O-N 3.14Å; V835-A928 HydrophobicContact CG2-CB 3.93Å; V835-I953 HydrophobicContact CB-CD1 3.85Å; V835-I953 HydrophobicContact CB-CG2 4.3Å; V835-I953 HydrophobicContact CG1-CB 4.06Å; V835-I953 HydrophobicContact CG1-CD1 4.02Å; V835-I953 HydrophobicContact CG1-CG2 3.38Å; V835-I953 HydrophobicContact CG2-CD1 4.3Å |
| 836 | L | 87.7 | Confident | 85.4 | Confident | 66 Ų | 66 | 53.5 Ų | 53.5 | 35% | 0.346 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.8 | -25.2 | 179 | -164.8 | 132.1 | 0 | 0 | 0 | 112.8 | L821 T832 L833 V834 F838 Y839 P840 | L821-L836 HydrophobicContact CD2-CD1 3.81Å; T832-L836 VanDerWaalsContact O-CB 3.23Å; T832-L836 WeakPolarHBondContact O-CB 3.41Å; T832-L836 PolarHBondContact O-N 2.7Å; L833-L836 PolarHBondContact O-N 2.88Å; V834-L836 VanDerWaalsContact C-N 3.3Å; V834-L836 PolarHBondContact O-N 2.89Å; L836-F838 PolarHBondContact O-N 2.93Å; L836-Y839 VanDerWaalsContact O-CB 3.26Å; L836-Y839 WeakPolarHBondContact O-CB 3.37Å; L836-Y839 PolarHBondContact O-N 3.45Å; L836-Y839 VanDerWaalsContact O-N 3.16Å; L836-P840 VanDerWaalsContact O-CD 3.28Å; L836-P840 WeakPolarHBondContact O-CD 3.22Å |
| 837 | A | 88.7 | Confident | 84.5 | Confident | 69 Ų | 69 | 51.1 Ų | 51.1 | 57% | 0.57 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -62.5 | -30.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L833 V834 V835 | L833-A837 PolarHBondContact O-N 3.38Å; L833-A837 VanDerWaalsContact O-N 3.13Å; V834-A837 WeakPolarHBondContact O-CB 3.28Å; V834-A837 PolarHBondContact O-N 3.5Å; V835-A837 PolarHBondContact O-N 3.35Å |
| 838 | F | 85.9 | Confident | 83.8 | Confident | 47 Ų | 47 | 48.8 Ų | 48.8 | 21% | 0.206 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -84.3 | -17.7 | 176.6 | -66 | -83.7 | 0 | 0 | 0 | 113.2 | V834 V835 L836 I841 I842 V920 F923 A927 | V834-F838 WeakPolarHBondContact O-CD2 3.21Å; V835-F838 PolarHBondContact O-N 2.94Å; V835-F838 VanDerWaalsContact O-N 3.14Å; L836-F838 PolarHBondContact O-N 2.93Å; F838-I841 PolarHBondContact O-N 3.2Å; F838-I842 PolarHBondContact O-N 3.18Å; F838-V920 HydrophobicContact CB-CG1 4.5Å; F838-V920 HydrophobicContact CD1-CG1 3.88Å; F838-F923 HydrophobicContact CE1-CB 4.26Å; F838-A927 HydrophobicContact CE2-CB 3.82Å; F838-A927 HydrophobicContact CZ-CB 4.11Å |
| 839 | Y | 79.3 | Confident | 82.9 | Confident | 24 Ų | 24 | 51.6 Ų | 51.6 | 9% | 0.094 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.2 | -47.4 | -172.2 | -136.1 | -108 | 0 | 0 | 0 | 113.6 | L836 I841 I842 V843 I953 S956 A957 L960 | L836-Y839 VanDerWaalsContact O-CB 3.26Å; L836-Y839 WeakPolarHBondContact O-CB 3.37Å; L836-Y839 PolarHBondContact O-N 3.45Å; L836-Y839 VanDerWaalsContact O-N 3.16Å; Y839-I841 VanDerWaalsContact C-N 3.25Å; Y839-I841 PolarHBondContact O-N 2.96Å; Y839-I842 PolarHBondContact O-N 3.11Å; Y839-V843 HydrophobicContact CD1-CG2 4.22Å; Y839-V843 VanDerWaalsContact O-CG2 3.24Å; Y839-V843 WeakPolarHBondContact O-CG2 3.18Å; Y839-V843 PolarHBondContact O-N 3.4Å; Y839-I953 HydrophobicContact CD2-CG2 4.02Å; Y839-I953 HydrophobicContact CE2-CG2 3.57Å; Y839-S956 VanDerWaalsContact OH-CB 3.25Å; Y839-S956 WeakPolarHBondContact OH-CB 3.41Å; Y839-S956 PolarHBondContact OH-OG 2.91Å; Y839-A957 HydrophobicContact CD2-CB 4.41Å; Y839-A957 HydrophobicContact CE2-CB 3.64Å; Y839-A957 WeakPolarHBondContact OH-CA 3.45Å; Y839-A957 PolarHBondContact OH-N 3.47Å; Y839-L960 HydrophobicContact CD1-CD2 4.19Å; Y839-L960 HydrophobicContact CE1-CD2 3.63Å |
| 840 | P | 82 | Confident | 81.7 | Confident | 72 Ų | 72 | 47 Ų | 47 | 47% | 0.468 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.5 | -37.2 | 178.4 | -25 | 34.9 | 0 | 0 | 0 | 112.9 | L836 V843 I844 | L836-P840 VanDerWaalsContact O-CD 3.28Å; L836-P840 WeakPolarHBondContact O-CD 3.22Å; P840-V843 PolarHBondContact O-N 3.13Å; P840-I844 VanDerWaalsContact O-CB 3.29Å; P840-I844 WeakPolarHBondContact O-CB 3.26Å; P840-I844 WeakPolarHBondContact O-CD1 3.33Å; P840-I844 WeakPolarHBondContact O-CG1 3.41Å; P840-I844 PolarHBondContact O-N 3.4Å |
| 841 | I | 81.9 | Confident | 80.5 | Confident | 79 Ų | 79 | 50.9 Ų | 50.9 | 41% | 0.405 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.9 | -44.3 | -179.3 | -57.9 | 171.3 | 0 | 0 | 0 | 110.1 | F838 Y839 V843 G845 V920 | F838-I841 PolarHBondContact O-N 3.2Å; Y839-I841 VanDerWaalsContact C-N 3.25Å; Y839-I841 PolarHBondContact O-N 2.96Å; I841-V843 VanDerWaalsContact C-N 3.35Å; I841-V843 PolarHBondContact O-N 3.42Å; I841-G845 PolarHBondContact O-N 2.72Å; I841-V920 HydrophobicContact CB-CG1 4.37Å; I841-V920 HydrophobicContact CG2-CB 4.41Å; I841-V920 HydrophobicContact CG2-CG1 4.07Å; I841-V920 HydrophobicContact CG2-CG2 3.98Å |
| 842 | I | 76.1 | Confident | 79.5 | Confident | 40 Ų | 40 | 53.4 Ų | 53.4 | 21% | 0.205 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 177.1 | -63.2 | 169.9 | 0 | 0 | 0 | 110.6 | F838 Y839 G846 V920 P921 | F838-I842 PolarHBondContact O-N 3.18Å; Y839-I842 PolarHBondContact O-N 3.11Å; I842-G846 PolarHBondContact O-N 2.84Å; I842-V920 HydrophobicContact CG1-CG1 4.33Å; I842-P921 HydrophobicContact CD1-CG 4.49Å |
| 843 | V | 74.8 | Confident | 78.2 | Confident | 43 Ų | 43 | 59.6 Ų | 59.6 | 26% | 0.261 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.7 | -47.2 | -179.2 | 176 | 0 | 0 | 0 | 0 | 111.9 | Y839 P840 I841 G845 G846 F847 L960 | Y839-V843 HydrophobicContact CD1-CG2 4.22Å; Y839-V843 VanDerWaalsContact O-CG2 3.24Å; Y839-V843 WeakPolarHBondContact O-CG2 3.18Å; Y839-V843 PolarHBondContact O-N 3.4Å; P840-V843 PolarHBondContact O-N 3.13Å; I841-V843 VanDerWaalsContact C-N 3.35Å; I841-V843 PolarHBondContact O-N 3.42Å; V843-G845 VanDerWaalsContact C-N 3.34Å; V843-G846 PolarHBondContact O-N 2.6Å; V843-F847 WeakPolarHBondContact O-CB 3.23Å; V843-F847 PolarHBondContact O-N 2.9Å; V843-L960 HydrophobicContact CB-CD2 4.41Å; V843-L960 HydrophobicContact CG1-CD2 4.29Å; V843-L960 HydrophobicContact CG1-CG 4.33Å; V843-L960 HydrophobicContact CG2-CD2 3.21Å; V843-L960 HydrophobicContact CG2-CG 3.77Å |
| 844 | I | 78.5 | Confident | 76.5 | Confident | 98 Ų | 98 | 58 Ų | 58 | 50% | 0.503 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 177.7 | -68.2 | 166.8 | 0 | 0 | 0 | 109.9 | P840 F847 L848 | P840-I844 VanDerWaalsContact O-CB 3.29Å; P840-I844 WeakPolarHBondContact O-CB 3.26Å; P840-I844 WeakPolarHBondContact O-CD1 3.33Å; P840-I844 WeakPolarHBondContact O-CG1 3.41Å; P840-I844 PolarHBondContact O-N 3.4Å; I844-F847 PolarHBondContact O-N 2.76Å; I844-L848 HydrophobicContact CG2-CD1 3.79Å; I844-L848 HydrophobicContact CG2-CG 4.2Å; I844-L848 WeakPolarHBondContact O-CB 3.32Å; I844-L848 VanDerWaalsContact O-CG 3.3Å; I844-L848 WeakPolarHBondContact O-CG 3.17Å; I844-L848 PolarHBondContact O-N 3.27Å |
| 845 | G | 77 | Confident | 74.8 | Confident | 5 Ų | 5 | 56.9 Ų | 56.9 | 5% | 0.052 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.3 | -51.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | I841 V843 F847 L848 Q849 | I841-G845 PolarHBondContact O-N 2.72Å; V843-G845 VanDerWaalsContact C-N 3.34Å; G845-F847 PolarHBondContact O-N 3.37Å; G845-L848 PolarHBondContact O-N 3.06Å; G845-Q849 VanDerWaalsContact O-CB 3.28Å; G845-Q849 WeakPolarHBondContact O-CB 3.2Å; G845-Q849 PolarHBondContact O-N 3.31Å |
| 846 | G | 72.8 | Confident | 72.9 | Confident | 16 Ų | 16 | 61.8 Ų | 61.8 | 17% | 0.165 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.1 | -40.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | I842 V843 M850 | I842-G846 PolarHBondContact O-N 2.84Å; V843-G846 PolarHBondContact O-N 2.6Å; G846-M850 WeakPolarHBondContact O-CB 3.22Å; G846-M850 PolarHBondContact O-N 3.43Å |
| 847 | F | 73.4 | Confident | 70.9 | Confident | 77 Ų | 77 | 61.4 Ų | 61.4 | 34% | 0.338 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.9 | -46.8 | 176.6 | 177 | -98.9 | 0 | 0 | 0 | 112.2 | V843 I844 G845 M850 R851 A964 M968 | V843-F847 WeakPolarHBondContact O-CB 3.23Å; V843-F847 PolarHBondContact O-N 2.9Å; I844-F847 PolarHBondContact O-N 2.76Å; G845-F847 PolarHBondContact O-N 3.37Å; F847-M850 PolarHBondContact O-N 2.87Å; F847-R851 PolarHBondContact O-N 3.34Å; F847-A964 HydrophobicContact CD2-CB 4.36Å; F847-M968 HydrophobicContact CE2-CG 4.02Å; F847-M968 HydrophobicContact CE2-SD 4.25Å |
| 848 | L | 75.9 | Confident | 69 | Low | 38 Ų | 38 | 61.6 Ų | 61.6 | 20% | 0.199 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.1 | -38.4 | 178.9 | -70.8 | 176.6 | 0 | 0 | 0 | 111.8 | I844 G845 R851 S852 V913 | I844-L848 HydrophobicContact CG2-CD1 3.79Å; I844-L848 HydrophobicContact CG2-CG 4.2Å; I844-L848 WeakPolarHBondContact O-CB 3.32Å; I844-L848 VanDerWaalsContact O-CG 3.3Å; I844-L848 WeakPolarHBondContact O-CG 3.17Å; I844-L848 PolarHBondContact O-N 3.27Å; G845-L848 PolarHBondContact O-N 3.06Å; L848-R851 WeakPolarHBondContact O-CB 3.44Å; L848-R851 PolarHBondContact O-N 2.97Å; L848-S852 PolarHBondContact O-N 2.93Å; L848-V913 HydrophobicContact CB-CG1 3.48Å; L848-V913 VanDerWaalsContact CB-CG1 3.48Å; L848-V913 HydrophobicContact CB-CG2 4.28Å; L848-V913 HydrophobicContact CD1-CG1 4.28Å; L848-V913 HydrophobicContact CD1-CG2 3.92Å |
| 849 | Q | 72.5 | Confident | 67.3 | Low | 62 Ų | 62 | 64 Ų | 64 | 29% | 0.29 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60 | -46.7 | 173 | -176.1 | -175.7 | 11.5 | 0 | 0 | 111 | G845 R851 S852 M853 Y914 | G845-Q849 VanDerWaalsContact O-CB 3.28Å; G845-Q849 WeakPolarHBondContact O-CB 3.2Å; G845-Q849 PolarHBondContact O-N 3.31Å; Q849-R851 VanDerWaalsContact C-N 3.31Å; Q849-R851 PolarHBondContact O-N 3.49Å; Q849-S852 VanDerWaalsContact O-CB 3.23Å; Q849-S852 WeakPolarHBondContact O-CB 3.49Å; Q849-S852 PolarHBondContact O-N 2.75Å; Q849-S852 VanDerWaalsContact O-N 3.13Å; Q849-M853 PolarHBondContact O-N 2.96Å; Q849-M853 VanDerWaalsContact O-N 3.11Å; Q849-Y914 VanDerWaalsContact NE2-CD2 3.32Å |
| 850 | M | 67.1 | Low | 65.8 | Low | 56 Ų | 56 | 73.4 Ų | 73.4 | 28% | 0.276 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.4 | -33.9 | 178.8 | -166.7 | 62.7 | 70.2 | 0 | 0 | 111.9 | G846 F847 S852 M853 S854 T965 M968 | G846-M850 WeakPolarHBondContact O-CB 3.22Å; G846-M850 PolarHBondContact O-N 3.43Å; F847-M850 PolarHBondContact O-N 2.87Å; M850-S852 VanDerWaalsContact C-N 3.27Å; M850-S852 PolarHBondContact O-N 2.93Å; M850-M853 HydrophobicContact CE-SD 4.39Å; M850-M853 PolarHBondContact O-N 2.87Å; M850-M853 HydrophobicContact SD-CB 4.2Å; M850-M853 HydrophobicContact SD-SD 4.08Å; M850-S854 PolarHBondContact O-N 3.19Å; M850-T965 HydrophobicContact CE-CG2 3.15Å; M850-T965 HydrophobicContact CG-CG2 3.84Å; M850-T965 HydrophobicContact SD-CG2 3.94Å; M850-M968 HydrophobicContact CB-CE 3.74Å; M850-M968 HydrophobicContact CG-CE 3.22Å |
| 851 | R | 68 | Low | 64.3 | Low | 133 Ų | 133 | 73.1 Ų | 73.1 | 50% | 0.502 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.3 | -36.7 | 172.5 | -173.9 | 177.6 | 176.3 | 172.1 | -2.5 | 112.1 | F847 L848 Q849 M968 | F847-R851 PolarHBondContact O-N 3.34Å; L848-R851 WeakPolarHBondContact O-CB 3.44Å; L848-R851 PolarHBondContact O-N 2.97Å; Q849-R851 VanDerWaalsContact C-N 3.31Å; Q849-R851 PolarHBondContact O-N 3.49Å; R851-M968 HydrophobicContact CB-SD 4.37Å |
| 852 | S | 69.3 | Low | 63.5 | Low | 53 Ų | 53 | 70.9 Ų | 70.9 | 37% | 0.371 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 172 | -168.2 | 0 | 0 | 0 | 0 | 111.4 | L848 Q849 M850 S854 G855 | L848-S852 PolarHBondContact O-N 2.93Å; Q849-S852 VanDerWaalsContact O-CB 3.23Å; Q849-S852 WeakPolarHBondContact O-CB 3.49Å; Q849-S852 PolarHBondContact O-N 2.75Å; Q849-S852 VanDerWaalsContact O-N 3.13Å; M850-S852 VanDerWaalsContact C-N 3.27Å; M850-S852 PolarHBondContact O-N 2.93Å; S852-S854 VanDerWaalsContact C-N 3.33Å; S852-S854 PolarHBondContact O-N 3.38Å; S852-G855 PolarHBondContact O-N 3.09Å |
| 853 | M | 62.9 | Low | 63.2 | Low | 131 Ų | 131 | 72.2 Ų | 72.2 | 65% | 0.645 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.2 | -34.3 | 179.2 | -65.6 | -178.6 | 72.9 | 0 | 0 | 113.3 | Q849 M850 G855 | Q849-M853 PolarHBondContact O-N 2.96Å; Q849-M853 VanDerWaalsContact O-N 3.11Å; M850-M853 HydrophobicContact CE-SD 4.39Å; M850-M853 PolarHBondContact O-N 2.87Å; M850-M853 HydrophobicContact SD-CB 4.2Å; M850-M853 HydrophobicContact SD-SD 4.08Å; M853-G855 PolarHBondContact O-N 3.15Å |
| 854 | S | 55.4 | Low | 63.4 | Low | 47 Ų | 47 | 74 Ų | 74 | 33% | 0.329 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -9.7 | 179 | -176.1 | 0 | 0 | 0 | 0 | 113.5 | M850 S852 K856 | M850-S854 PolarHBondContact O-N 3.19Å; S852-S854 VanDerWaalsContact C-N 3.33Å; S852-S854 PolarHBondContact O-N 3.38Å; S854-K856 PolarHBondContact O-N 3.27Å |
| 855 | G | 54.8 | Low | 63.6 | Low | 27 Ų | 27 | 69.3 Ų | 69.3 | 28% | 0.278 | 37% | 0.366 | S | S | . | . | trans | 69.1 | -3.3 | 172 | 0 | 0 | 0 | 0 | 0 | 115.7 | S852 M853 G857 K858 | S852-G855 PolarHBondContact O-N 3.09Å; M853-G855 PolarHBondContact O-N 3.15Å; G855-G857 PolarHBondContact O-N 3.35Å; G855-K858 WeakPolarHBondContact O-CB 3.34Å; G855-K858 PolarHBondContact O-N 3.36Å | ||
| 856 | K | 46.7 | Very low | 64 | Low | 115 Ų | 115 | 70.3 Ų | 70.3 | 50% | 0.5 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -2.5 | -176.3 | -75.8 | 178.5 | -179.1 | 163.2 | 0 | 115.7 | S854 E972 | S854-K856 PolarHBondContact O-N 3.27Å; K856-E972 WeakPolarHBondContact CE-OE1 3.35Å; K856-E972 IonicContact NZ-OE1 3.7Å; K856-E972 PolarHBondContact NZ-OE1 2.93Å |
| 857 | G | 45.6 | Very low | 64.6 | Low | 58 Ų | 58 | 74.2 Ų | 74.2 | 60% | 0.598 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -8.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 115 | G855 | G855-G857 PolarHBondContact O-N 3.35Š|
| 858 | K | 49.5 | Very low | 65.3 | Low | 72 Ų | 72 | 70.7 Ų | 70.7 | 31% | 0.313 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -93.6 | -14.7 | -169.2 | -70.5 | -175.9 | 172.3 | -176.9 | 0 | 115.9 | E148 G855 R860 | E148-K858 IonicContact OE1-NZ 3.16Å; E148-K858 PolarHBondContact OE1-NZ 2.91Å; E148-K858 IonicContact OE2-NZ 2.61Å; G855-K858 WeakPolarHBondContact O-CB 3.34Å; G855-K858 PolarHBondContact O-N 3.36Å; K858-R860 PolarHBondContact O-N 3.39Å |
| 859 | S | 50.5 | Low | 65.9 | Low | 97 Ų | 97 | 68.9 Ų | 68.9 | 68% | 0.678 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -17.5 | -155.9 | -161.5 | 0 | 0 | 0 | 0 | 118.2 | T863 | S859-T863 WeakPolarHBondContact O-CG2 3.27Š|
| 860 | R | 46.8 | Very low | 66.7 | Low | 222 Ų | 222 | 70.3 Ų | 70.3 | 84% | 0.838 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | -16.5 | -169.7 | -152 | 176.4 | 171.3 | 177.9 | -3.4 | 115.3 | K858 T863 | K858-R860 PolarHBondContact O-N 3.39Å; R860-T863 PolarHBondContact O-OG1 3.04Å |
| 861 | N | 51.8 | Low | 67.7 | Low | 67 Ų | 67 | 68.3 Ų | 68.3 | 36% | 0.358 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | -23.4 | -178.5 | -58.4 | -22.4 | 0 | 0 | 0 | 113.1 | T863 N899 K902 | N861-T863 PolarHBondContact O-N 3.4Å; N861-N899 VanDerWaalsContact C-ND2 3.29Å; N861-N899 WeakPolarHBondContact CB-OD1 3.2Å; N861-N899 PolarHBondContact O-ND2 3.36Å; N861-K902 VanDerWaalsContact ND2-CD 3.31Å; N861-K902 WeakPolarHBondContact ND2-CD 3.3Å |
| 862 | D | 64.1 | Low | 68.8 | Low | 32 Ų | 32 | 62 Ų | 62 | 17% | 0.171 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.4 | -22.4 | 173.1 | -78.8 | -22.9 | 0 | 0 | 0 | 111.4 | R113 E864 S865 M866 N899 | R113-D862 IonicContact NH1-OD1 3.71Å; D862-E864 PolarHBondContact O-N 3.03Å; D862-S865 PolarHBondContact O-N 3.3Å; D862-S865 PolarHBondContact O-OG 3.32Å; D862-M866 VanDerWaalsContact O-CG 3.31Å; D862-M866 WeakPolarHBondContact O-CG 3.38Å; D862-M866 PolarHBondContact O-N 3.48Å; D862-M866 VanDerWaalsContact O-N 3.08Å; D862-N899 PolarHBondContact OD1-ND2 3.5Å |
| 863 | T | 70 | Confident | 69.9 | Low | 68 Ų | 68 | 59.5 Ų | 59.5 | 42% | 0.417 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.3 | -40.8 | 177.6 | 45.4 | 0 | 0 | 0 | 0 | 113.5 | S859 R860 N861 M866 R867 | S859-T863 WeakPolarHBondContact O-CG2 3.27Å; R860-T863 PolarHBondContact O-OG1 3.04Å; N861-T863 PolarHBondContact O-N 3.4Å; T863-M866 PolarHBondContact O-N 2.79Å; T863-R867 WeakPolarHBondContact O-CB 3.39Å; T863-R867 PolarHBondContact O-N 3.08Å |
| 864 | E | 78.5 | Confident | 71 | Confident | 80 Ų | 80 | 55 Ų | 55 | 37% | 0.374 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.1 | -44.7 | -179.3 | -64.3 | -50.8 | 133 | 0 | 0 | 112 | D862 M866 R867 V868 | D862-E864 PolarHBondContact O-N 3.03Å; E864-M866 VanDerWaalsContact C-N 3.26Å; E864-M866 PolarHBondContact O-N 3.31Å; E864-R867 WeakPolarHBondContact O-CB 3.33Å; E864-R867 PolarHBondContact O-N 3.29Å; E864-V868 WeakPolarHBondContact O-CG2 3.48Å; E864-V868 PolarHBondContact O-N 3.46Å; E864-V868 VanDerWaalsContact O-N 3.09Å |
| 865 | S | 83.1 | Confident | 72.6 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.6 | -37.1 | 175.8 | 68.1 | 0 | 0 | 0 | 0 | 111.5 | D862 A869 F892 | D862-S865 PolarHBondContact O-N 3.3Å; D862-S865 PolarHBondContact O-OG 3.32Å; S865-A869 PolarHBondContact O-N 3Å; S865-A869 VanDerWaalsContact O-N 3.15Å; S865-F892 WeakPolarHBondContact O-CD2 3.46Å; S865-F892 WeakPolarHBondContact O-CE2 3.45Å |
| 866 | M | 85.3 | Confident | 74.3 | Confident | 26 Ų | 26 | 53.4 Ų | 53.4 | 13% | 0.128 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -71.3 | -34.7 | 176.5 | -66.6 | -55.5 | 98.6 | 0 | 0 | 112.5 | L140 D862 T863 E864 A869 Q870 F892 | L140-M866 HydrophobicContact CB-SD 4.4Å; L140-M866 HydrophobicContact CD2-CE 3.7Å; L140-M866 HydrophobicContact CD2-SD 3.92Å; L140-M866 HydrophobicContact CG-CE 3.85Å; L140-M866 HydrophobicContact CG-SD 4.03Å; D862-M866 VanDerWaalsContact O-CG 3.31Å; D862-M866 WeakPolarHBondContact O-CG 3.38Å; D862-M866 PolarHBondContact O-N 3.48Å; D862-M866 VanDerWaalsContact O-N 3.08Å; T863-M866 PolarHBondContact O-N 2.79Å; E864-M866 VanDerWaalsContact C-N 3.26Å; E864-M866 PolarHBondContact O-N 3.31Å; M866-A869 PolarHBondContact O-N 3.16Å; M866-Q870 WeakPolarHBondContact O-CB 3.3Å; M866-Q870 PolarHBondContact O-N 2.82Å; M866-F892 HydrophobicContact CE-CE2 3.79Å; M866-F892 HydrophobicContact CE-CZ 4.01Å |
| 867 | R | 84.6 | Confident | 76.3 | Confident | 98 Ų | 98 | 52 Ų | 52 | 37% | 0.37 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.5 | -47.1 | 176.1 | -170.6 | -179.2 | -173.7 | -178.8 | 5.1 | 111.4 | E445 T863 E864 A869 Q870 E871 | E445-R867 IonicContact OE1-CZ 3.22Å; E445-R867 IonicContact OE1-NE 3.82Å; E445-R867 IonicContact OE1-NH1 3.86Å; E445-R867 PolarHBondContact OE1-NH1 3.31Å; E445-R867 VanDerWaalsContact OE1-NH1 3.13Å; E445-R867 IonicContact OE1-NH2 2.56Å; E445-R867 PolarHBondContact OE1-NH2 2.81Å; E445-R867 IonicContact OE2-CZ 2.99Å; E445-R867 IonicContact OE2-NE 2.73Å; E445-R867 PolarHBondContact OE2-NE 2.65Å; E445-R867 IonicContact OE2-NH1 2.94Å; E445-R867 IonicContact OE2-NH2 3.17Å; E445-R867 PolarHBondContact OE2-NH2 2.96Å; T863-R867 WeakPolarHBondContact O-CB 3.39Å; T863-R867 PolarHBondContact O-N 3.08Å; E864-R867 WeakPolarHBondContact O-CB 3.33Å; E864-R867 PolarHBondContact O-N 3.29Å; R867-A869 VanDerWaalsContact C-N 3.29Å; R867-A869 PolarHBondContact O-N 3.32Å; R867-Q870 PolarHBondContact O-N 2.81Å; R867-E871 WeakPolarHBondContact O-CB 3.15Å; R867-E871 PolarHBondContact O-N 3.25Å |
| 868 | V | 88 | Confident | 78.4 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.9 | -40.1 | 174 | 176.6 | 0 | 0 | 0 | 0 | 111.4 | E864 A872 F888 R891 F892 | E864-V868 WeakPolarHBondContact O-CG2 3.48Å; E864-V868 PolarHBondContact O-N 3.46Å; E864-V868 VanDerWaalsContact O-N 3.09Å; V868-A872 WeakPolarHBondContact O-CB 3.5Å; V868-A872 PolarHBondContact O-N 3.31Å; V868-A872 VanDerWaalsContact O-N 3.09Å; V868-F888 HydrophobicContact CG1-CD1 4.02Å; V868-R891 HydrophobicContact CG1-CB 4.12Å; V868-R891 HydrophobicContact CG1-CG 4.05Å; V868-R891 HydrophobicContact CG2-CG 3.98Å; V868-F892 HydrophobicContact CG1-CB 4.33Å |
| 869 | A | 90.1 | Very high | 80.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.9 | -39.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F117 I137 L140 S865 M866 R867 A872 I873 F892 | F117-A869 HydrophobicContact CD2-CB 4.11Å; F117-A869 HydrophobicContact CE2-CB 3.65Å; F117-A869 HydrophobicContact CZ-CB 4.33Å; I137-A869 HydrophobicContact CD1-CB 4.07Å; L140-A869 HydrophobicContact CD2-CB 3.48Å; L140-A869 VanDerWaalsContact CD2-CB 3.48Å; S865-A869 PolarHBondContact O-N 3Å; S865-A869 VanDerWaalsContact O-N 3.15Å; M866-A869 PolarHBondContact O-N 3.16Å; R867-A869 VanDerWaalsContact C-N 3.29Å; R867-A869 PolarHBondContact O-N 3.32Å; A869-A872 PolarHBondContact O-N 3.12Å; A869-I873 VanDerWaalsContact O-CB 3.3Å; A869-I873 WeakPolarHBondContact O-CB 3.27Å; A869-I873 VanDerWaalsContact O-CG1 3.22Å; A869-I873 WeakPolarHBondContact O-CG1 3.47Å; A869-I873 PolarHBondContact O-N 3.13Å; A869-F892 HydrophobicContact CB-CD2 4.18Å; A869-F892 HydrophobicContact CB-CE2 4Å |
| 870 | Q | 89.3 | Confident | 82.3 | Confident | 93 Ų | 93 | 41.6 Ų | 41.6 | 44% | 0.435 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.6 | -44.1 | 177 | 179.6 | 177.7 | -35 | 0 | 0 | 111.5 | I137 E490 M866 R867 G874 | I137-Q870 HydrophobicContact CD1-CB 4.07Å; E490-Q870 PolarHBondContact OE1-NE2 2.8Å; M866-Q870 WeakPolarHBondContact O-CB 3.3Å; M866-Q870 PolarHBondContact O-N 2.82Å; R867-Q870 PolarHBondContact O-N 2.81Å; Q870-G874 WeakPolarHBondContact O-CA 3.37Å; Q870-G874 PolarHBondContact O-N 3.19Å |
| 871 | E | 88.3 | Confident | 84.4 | Confident | 14 Ų | 14 | 31.3 Ų | 31.3 | 7% | 0.065 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.2 | -50 | 175.2 | -179.3 | 176.8 | -151.1 | 0 | 0 | 111.3 | F444 E445 R867 S875 F888 R891 | F444-E871 VanDerWaalsContact CA-OE1 3.27Å; F444-E871 WeakPolarHBondContact CA-OE1 3.45Å; F444-E871 WeakPolarHBondContact CB-OE1 3.38Å; F444-E871 HydrophobicContact CD1-CG 3.71Å; F444-E871 WeakPolarHBondContact CD1-OE1 3.48Å; F444-E871 HydrophobicContact CE1-CG 4.34Å; E445-E871 PolarHBondContact N-OE1 3.49Å; R867-E871 WeakPolarHBondContact O-CB 3.15Å; R867-E871 PolarHBondContact O-N 3.25Å; E871-S875 WeakPolarHBondContact O-CB 3.44Å; E871-S875 PolarHBondContact O-N 2.77Å; E871-F888 HydrophobicContact CG-CE1 3.98Å; E871-F888 HydrophobicContact CG-CZ 4.33Å; E871-R891 IonicContact OE2-NH1 3.7Å; E871-R891 PolarHBondContact OE2-NH1 2.93Å; E871-R891 VanDerWaalsContact OE2-NH1 3.1Å |
| 872 | A | 91.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.6 | -43.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F117 L121 V868 A869 S875 N876 F888 | F117-A872 HydrophobicContact CE2-CB 4.5Å; F117-A872 HydrophobicContact CZ-CB 4.12Å; L121-A872 HydrophobicContact CD2-CB 4.16Å; V868-A872 WeakPolarHBondContact O-CB 3.5Å; V868-A872 PolarHBondContact O-N 3.31Å; V868-A872 VanDerWaalsContact O-N 3.09Å; A869-A872 PolarHBondContact O-N 3.12Å; A872-S875 CarbonylContact O-C 3.58Å; A872-N876 WeakPolarHBondContact O-CA 2.91Å; A872-N876 PolarHBondContact O-N 3.12Å; A872-F888 HydrophobicContact CB-CB 3.98Å; A872-F888 HydrophobicContact CB-CD1 3.73Å; A872-F888 HydrophobicContact CB-CD2 4.26Å; A872-F888 HydrophobicContact CB-CE1 4.29Å; A872-F888 HydrophobicContact CB-CG 3.71Å |
| 873 | I | 91 | Very high | 87.5 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -74.6 | -39.6 | -177.4 | -68.3 | 172.8 | 0 | 0 | 0 | 111.1 | I120 Y128 L136 I137 A869 S875 N876 | I120-I873 HydrophobicContact CD1-CD1 4.42Å; I120-I873 HydrophobicContact CG2-CD1 4.05Å; I120-I873 HydrophobicContact CG2-CG1 4.01Å; Y128-I873 HydrophobicContact CE1-CG2 4.41Å; L136-I873 HydrophobicContact CB-CD1 4.1Å; L136-I873 HydrophobicContact CB-CG2 4.39Å; L136-I873 HydrophobicContact CD1-CG2 3.93Å; I137-I873 HydrophobicContact CD1-CD1 3.85Å; A869-I873 VanDerWaalsContact O-CB 3.3Å; A869-I873 WeakPolarHBondContact O-CB 3.27Å; A869-I873 VanDerWaalsContact O-CG1 3.22Å; A869-I873 WeakPolarHBondContact O-CG1 3.47Å; A869-I873 PolarHBondContact O-N 3.13Å; I873-S875 PolarHBondContact O-N 3.11Å; I873-N876 PolarHBondContact O-N 3.29Å; I873-N876 PolarHBondContact O-ND2 3.28Å; I873-N876 VanDerWaalsContact O-ND2 3.13Å |
| 874 | G | 86.8 | Confident | 88.5 | Confident | 37 Ų | 37 | 25.1 Ų | 25.1 | 38% | 0.381 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -65.6 | -26.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q870 | Q870-G874 WeakPolarHBondContact O-CA 3.37Å; Q870-G874 PolarHBondContact O-N 3.19Å |
| 875 | S | 88.4 | Confident | 89.2 | Confident | 11 Ų | 11 | 22.4 Ų | 22.4 | 8% | 0.077 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117 | 31.5 | -178.9 | -56.3 | 0 | 0 | 0 | 0 | 112.4 | I442 E871 A872 I873 R877 T878 V879 | I442-S875 VanDerWaalsContact CG2-OG 3.25Å; I442-S875 WeakPolarHBondContact CG2-OG 3.35Å; E871-S875 WeakPolarHBondContact O-CB 3.44Å; E871-S875 PolarHBondContact O-N 2.77Å; A872-S875 CarbonylContact O-C 3.58Å; I873-S875 PolarHBondContact O-N 3.11Å; S875-R877 VanDerWaalsContact C-N 3.25Å; S875-R877 PolarHBondContact O-N 2.95Å; S875-R877 VanDerWaalsContact O-N 3.11Å; S875-T878 PolarHBondContact O-N 2.84Å; S875-T878 VanDerWaalsContact O-N 3.07Å; S875-V879 WeakPolarHBondContact O-CG2 3.39Å; S875-V879 PolarHBondContact O-N 3Å |
| 876 | N | 89.8 | Confident | 89.6 | Confident | 28 Ų | 28 | 28 Ų | 28 | 15% | 0.15 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -54.2 | -35.4 | -171.6 | 66.2 | 63 | 0 | 0 | 0 | 114.3 | Y128 A872 I873 V879 T880 | Y128-N876 HydrophobicContact CD1-CB 3.96Å; Y128-N876 WeakPolarHBondContact CD1-ND2 3.27Å; Y128-N876 HydrophobicContact CD2-CB 4.48Å; Y128-N876 HydrophobicContact CE1-CB 3.78Å; Y128-N876 HydrophobicContact CE2-CB 4.35Å; Y128-N876 HydrophobicContact CG-CB 4.28Å; A872-N876 WeakPolarHBondContact O-CA 2.91Å; A872-N876 PolarHBondContact O-N 3.12Å; I873-N876 PolarHBondContact O-N 3.29Å; I873-N876 PolarHBondContact O-ND2 3.28Å; I873-N876 VanDerWaalsContact O-ND2 3.13Å; N876-V879 PolarHBondContact O-N 3.48Å; N876-T880 VanDerWaalsContact O-CB 3.24Å; N876-T880 WeakPolarHBondContact O-CB 3.48Å; N876-T880 PolarHBondContact O-N 3.1Å; N876-T880 PolarHBondContact O-OG1 3.21Å |
| 877 | R | 89.3 | Confident | 89.9 | Confident | 87 Ų | 87 | 30.6 Ų | 30.6 | 33% | 0.328 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -65.9 | -50.2 | 178.8 | -68 | -174 | -178.7 | -177.1 | 0.5 | 109.9 | I125 D129 F407 S875 V879 T880 T881 | I125-R877 HydrophobicContact CD1-CG 4.22Å; D129-R877 IonicContact OD1-NH2 3.02Å; D129-R877 PolarHBondContact OD1-NH2 3.42Å; F407-R877 HydrophobicContact CE2-CB 4.27Å; F407-R877 HydrophobicContact CE2-CG 4.38Å; F407-R877 HydrophobicContact CZ-CB 4.43Å; S875-R877 VanDerWaalsContact C-N 3.25Å; S875-R877 PolarHBondContact O-N 2.95Å; S875-R877 VanDerWaalsContact O-N 3.11Å; R877-V879 PolarHBondContact O-N 2.97Å; R877-T880 PolarHBondContact O-N 3.05Å; R877-T880 VanDerWaalsContact O-N 3.17Å; R877-T881 WeakPolarHBondContact O-CB 3.42Å; R877-T881 PolarHBondContact O-N 2.94Å; R877-T881 PolarHBondContact O-OG1 2.98Å |
| 878 | T | 90.3 | Very high | 90.4 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.012 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61 | -42.1 | 175.9 | -45.9 | 0 | 0 | 0 | 0 | 112.1 | Q438 F444 S875 T880 H882 | Q438-T878 PolarHBondContact OE1-OG1 3.45Å; F444-T878 HydrophobicContact CE2-CG2 3.93Å; F444-T878 HydrophobicContact CZ-CG2 3.94Å; S875-T878 PolarHBondContact O-N 2.84Å; S875-T878 VanDerWaalsContact O-N 3.07Å; T878-T880 VanDerWaalsContact C-N 3.32Å; T878-T880 PolarHBondContact O-N 3.29Å; T878-H882 PolarHBondContact O-CD2 3.5Å; T878-H882 PolarHBondContact O-N 3.22Å |
| 879 | V | 91.4 | Very high | 90.7 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.012 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.5 | -42.9 | 175 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | F444 S875 N876 R877 H882 T883 L884 E885 F888 | F444-V879 HydrophobicContact CE1-CG2 4.04Å; F444-V879 HydrophobicContact CZ-CG2 3.96Å; S875-V879 WeakPolarHBondContact O-CG2 3.39Å; S875-V879 PolarHBondContact O-N 3Å; N876-V879 PolarHBondContact O-N 3.48Å; R877-V879 PolarHBondContact O-N 2.97Å; V879-H882 CarbonylContact O-C 3.5Å; V879-T883 PolarHBondContact O-N 3.33Å; V879-T883 VanDerWaalsContact O-N 3.08Å; V879-L884 HydrophobicContact CB-CB 4.49Å; V879-L884 HydrophobicContact CG1-CB 3.96Å; V879-L884 PolarHBondContact O-N 2.99Å; V879-E885 HydrophobicContact CG1-CG 4.23Å; V879-F888 HydrophobicContact CG1-CD2 4.09Å; V879-F888 HydrophobicContact CG2-CD2 4.01Å; V879-F888 HydrophobicContact CG2-CE2 3.71Å; V879-F888 HydrophobicContact CG2-CZ 4.48Å |
| 880 | T | 91.1 | Very high | 90.9 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.018 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -73.3 | -39.8 | -178.5 | -57.9 | 0 | 0 | 0 | 0 | 112.3 | I125 K342 F407 R431 N876 R877 T878 H882 T883 E885 | I125-T880 HydrophobicContact CD1-CG2 4.41Å; K342-T880 HydrophobicContact CD-CG2 4.45Å; K342-T880 PolarHBondContact NZ-OG1 2.91Å; F407-T880 HydrophobicContact CD1-CG2 4.38Å; F407-T880 HydrophobicContact CE1-CG2 3.79Å; R431-T880 WeakPolarHBondContact CD-O 3.44Å; N876-T880 VanDerWaalsContact O-CB 3.24Å; N876-T880 WeakPolarHBondContact O-CB 3.48Å; N876-T880 PolarHBondContact O-N 3.1Å; N876-T880 PolarHBondContact O-OG1 3.21Å; R877-T880 PolarHBondContact O-N 3.05Å; R877-T880 VanDerWaalsContact O-N 3.17Å; T878-T880 VanDerWaalsContact C-N 3.32Å; T878-T880 PolarHBondContact O-N 3.29Å; T880-H882 VanDerWaalsContact C-N 3.35Å; T880-T883 PolarHBondContact O-N 2.91Å; T880-E885 WeakPolarHBondContact CA-OE1 3.5Å |
| 881 | T | 90 | Very high | 91.1 | Very high | 7 Ų | 7 | 32.4 Ų | 32.4 | 4% | 0.043 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.1 | -47.9 | 173.7 | -62.6 | 0 | 0 | 0 | 0 | 110.7 | Q405 F407 C436 R877 T883 | Q405-T881 PolarHBondContact OE1-OG1 3.34Å; F407-T881 WeakPolarHBondContact CZ-OG1 3.45Å; C436-T881 HydrophobicContact CB-CG2 3.55Å; R877-T881 WeakPolarHBondContact O-CB 3.42Å; R877-T881 PolarHBondContact O-N 2.94Å; R877-T881 PolarHBondContact O-OG1 2.98Å; T881-T883 VanDerWaalsContact C-N 3.34Å; T881-T883 PolarHBondContact O-N 2.84Å |
| 882 | H | 89.5 | Confident | 91.3 | Very high | 5 Ų | 5 | 31.8 Ų | 31.8 | 2% | 0.023 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 15.5 | -178.1 | -64.2 | -63.9 | 0 | 0 | 0 | 113.7 | R507 R511 T878 V879 T880 L884 | R507-H882 PolarHBondContact NE-NE2 3.23Å; R507-H882 VanDerWaalsContact NE-NE2 3.2Å; R511-H882 VanDerWaalsContact NH2-C 3.3Å; R511-H882 PolarHBondContact NH2-O 3.47Å; T878-H882 PolarHBondContact O-CD2 3.5Å; T878-H882 PolarHBondContact O-N 3.22Å; V879-H882 CarbonylContact O-C 3.5Å; T880-H882 VanDerWaalsContact C-N 3.35Å; H882-L884 HydrophobicContact CB-CD1 3.88Å; H882-L884 HydrophobicContact CB-CG 3.79Å; H882-L884 WeakPolarHBondContact O-CG 3.23Å; H882-L884 PolarHBondContact O-N 3.36Å |
| 883 | T | 90.9 | Very high | 91.4 | Very high | 30 Ų | 30 | 36.5 Ų | 36.5 | 18% | 0.184 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 35.2 | 174.8 | 48.5 | 0 | 0 | 0 | 0 | 113.9 | K428 R431 N432 R511 V879 T880 T881 E885 | K428-T883 HydrophobicContact CB-CG2 4.47Å; K428-T883 HydrophobicContact CG-CG2 4.4Å; R431-T883 HydrophobicContact CB-CG2 3.79Å; N432-T883 PolarHBondContact OD1-OG1 3.27Å; R511-T883 PolarHBondContact NH1-OG1 3.27Å; V879-T883 PolarHBondContact O-N 3.33Å; V879-T883 VanDerWaalsContact O-N 3.08Å; T880-T883 PolarHBondContact O-N 2.91Å; T881-T883 VanDerWaalsContact C-N 3.34Å; T881-T883 PolarHBondContact O-N 2.84Å; T883-E885 VanDerWaalsContact CA-OE2 3.23Å; T883-E885 WeakPolarHBondContact CA-OE2 3.25Å; T883-E885 PolarHBondContact O-N 3.47Å |
| 884 | L | 91.6 | Very high | 91.4 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | trans | -87.7 | 5.3 | -171.7 | -71.2 | 176 | 0 | 0 | 0 | 114.2 | F444 L454 L457 V879 H882 E886 Y887 F888 | F444-L884 HydrophobicContact CE2-CD1 4.05Å; F444-L884 HydrophobicContact CZ-CD1 4.26Å; L454-L884 HydrophobicContact CB-CD1 4.01Å; L454-L884 HydrophobicContact CB-CD2 4.18Å; L454-L884 HydrophobicContact CD1-CD1 4.43Å; L454-L884 HydrophobicContact CD2-CD1 4.19Å; L454-L884 HydrophobicContact CD2-CD2 3.81Å; L454-L884 HydrophobicContact CG-CD1 4.44Å; L454-L884 WeakPolarHBondContact O-CD2 3.26Å; L457-L884 HydrophobicContact CD2-CD2 4.17Å; V879-L884 HydrophobicContact CB-CB 4.49Å; V879-L884 HydrophobicContact CG1-CB 3.96Å; V879-L884 PolarHBondContact O-N 2.99Å; H882-L884 HydrophobicContact CB-CD1 3.88Å; H882-L884 HydrophobicContact CB-CG 3.79Å; H882-L884 WeakPolarHBondContact O-CG 3.23Å; H882-L884 PolarHBondContact O-N 3.36Å; L884-E886 VanDerWaalsContact C-N 3.31Å; L884-E886 PolarHBondContact O-N 2.96Å; L884-Y887 WeakPolarHBondContact O-CB 3.08Å; L884-Y887 PolarHBondContact O-N 3.45Å; L884-Y887 VanDerWaalsContact O-N 3.17Å; L884-F888 HydrophobicContact CB-CD2 4.04Å; L884-F888 HydrophobicContact CB-CE2 4.06Å; L884-F888 HydrophobicContact CD1-CE2 4.26Å; L884-F888 WeakPolarHBondContact O-CD2 3.32Å; L884-F888 PolarHBondContact O-N 3.09Å; L884-F888 VanDerWaalsContact O-N 3.17Å | ||
| 885 | E | 92.4 | Very high | 91.5 | Very high | 23 Ų | 23 | 40 Ų | 40 | 11% | 0.107 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.4 | -41.6 | -174.5 | -63.6 | 89.1 | 163.5 | 0 | 0 | 112.4 | L121 K342 V879 T880 T883 F889 | L121-E885 HydrophobicContact CB-CB 4.09Å; L121-E885 HydrophobicContact CB-CG 4.1Å; L121-E885 WeakPolarHBondContact CD1-O 3.28Å; K342-E885 VanDerWaalsContact CD-OE1 3.3Å; K342-E885 WeakPolarHBondContact CD-OE1 3.38Å; K342-E885 WeakPolarHBondContact CE-OE1 3.28Å; K342-E885 IonicContact NZ-OE1 3.48Å; K342-E885 PolarHBondContact NZ-OE1 3.05Å; V879-E885 HydrophobicContact CG1-CG 4.23Å; T880-E885 WeakPolarHBondContact CA-OE1 3.5Å; T883-E885 VanDerWaalsContact CA-OE2 3.23Å; T883-E885 WeakPolarHBondContact CA-OE2 3.25Å; T883-E885 PolarHBondContact O-N 3.47Å; E885-F889 VanDerWaalsContact O-CB 3.3Å; E885-F889 WeakPolarHBondContact O-CB 3.29Å; E885-F889 PolarHBondContact O-N 3.24Å |
| 886 | E | 92.1 | Very high | 91.4 | Very high | 118 Ų | 118 | 39.4 Ų | 39.4 | 55% | 0.551 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -68.8 | -35.8 | -179.9 | -168.3 | 178.8 | 161.6 | 0 | 0 | 112.4 | L884 F889 K890 | L884-E886 VanDerWaalsContact C-N 3.31Å; L884-E886 PolarHBondContact O-N 2.96Å; E886-F889 PolarHBondContact O-N 2.88Å; E886-K890 HydrophobicContact CG-CD 4.39Å; E886-K890 WeakPolarHBondContact O-CB 3.4Å; E886-K890 WeakPolarHBondContact O-CG 3.26Å; E886-K890 PolarHBondContact O-N 3.37Å; E886-K890 WeakPolarHBondContact OE1-CE 3.46Å; E886-K890 IonicContact OE1-NZ 2.72Å; E886-K890 PolarHBondContact OE1-NZ 3.04Å |
| 887 | Y | 92.5 | Very high | 91.3 | Very high | 79 Ų | 79 | 40.6 Ų | 40.6 | 31% | 0.31 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.4 | -53.5 | 176.8 | 171.2 | -98.4 | 0 | 0 | 0 | 110.8 | L454 L457 L884 F889 K890 R891 | L454-Y887 HydrophobicContact CD2-CD1 3.83Å; L454-Y887 HydrophobicContact CD2-CE1 3.63Å; L454-Y887 HydrophobicContact CD2-CE2 4.4Å; L454-Y887 HydrophobicContact CD2-CG 4.3Å; L457-Y887 HydrophobicContact CD2-CD2 4.08Å; L457-Y887 HydrophobicContact CD2-CG 4.42Å; L884-Y887 WeakPolarHBondContact O-CB 3.08Å; L884-Y887 PolarHBondContact O-N 3.45Å; L884-Y887 VanDerWaalsContact O-N 3.17Å; Y887-F889 VanDerWaalsContact C-N 3.31Å; Y887-F889 PolarHBondContact O-N 3.4Å; Y887-K890 PolarHBondContact O-N 3.01Å; Y887-R891 PolarHBondContact O-N 3.39Å |
| 888 | F | 93.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.8 | -37.1 | 178.1 | -78.9 | -75.1 | 0 | 0 | 0 | 112 | F117 L121 F444 V868 E871 A872 V879 L884 R891 F892 | F117-F888 HydrophobicContact CZ-CB 4.49Å; L121-F888 HydrophobicContact CD1-CB 4.46Å; F444-F888 HydrophobicContact CD1-CE1 4.45Å; F444-F888 HydrophobicContact CD1-CE2 4.37Å; F444-F888 AromaticContact CD1-CZ 3.57Å; F444-F888 HydrophobicContact CD1-CZ 3.57Å; F444-F888 AromaticContact CE1-CE2 3.98Å; F444-F888 HydrophobicContact CE1-CE2 3.98Å; F444-F888 AromaticContact CE1-CZ 3.58Å; F444-F888 HydrophobicContact CE1-CZ 3.58Å; F444-F888 HydrophobicContact CG-CZ 4.28Å; F444-F888 HydrophobicContact CZ-CE2 4.32Å; F444-F888 HydrophobicContact CZ-CZ 4.3Å; V868-F888 HydrophobicContact CG1-CD1 4.02Å; E871-F888 HydrophobicContact CG-CE1 3.98Å; E871-F888 HydrophobicContact CG-CZ 4.33Å; A872-F888 HydrophobicContact CB-CB 3.98Å; A872-F888 HydrophobicContact CB-CD1 3.73Å; A872-F888 HydrophobicContact CB-CD2 4.26Å; A872-F888 HydrophobicContact CB-CE1 4.29Å; A872-F888 HydrophobicContact CB-CG 3.71Å; V879-F888 HydrophobicContact CG1-CD2 4.09Å; V879-F888 HydrophobicContact CG2-CD2 4.01Å; V879-F888 HydrophobicContact CG2-CE2 3.71Å; V879-F888 HydrophobicContact CG2-CZ 4.48Å; L884-F888 HydrophobicContact CB-CD2 4.04Å; L884-F888 HydrophobicContact CB-CE2 4.06Å; L884-F888 HydrophobicContact CD1-CE2 4.26Å; L884-F888 WeakPolarHBondContact O-CD2 3.32Å; L884-F888 PolarHBondContact O-N 3.09Å; L884-F888 VanDerWaalsContact O-N 3.17Å; F888-R891 PolarHBondContact O-N 3.13Å; F888-F892 VanDerWaalsContact O-CB 3.28Å; F888-F892 WeakPolarHBondContact O-CB 3.25Å; F888-F892 PolarHBondContact O-N 3.16Å |
| 889 | F | 94.9 | Very high | 90.9 | Very high | 41 Ų | 41 | 41.4 Ų | 41.4 | 18% | 0.18 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.1 | -43.3 | 174.4 | 179.8 | -106.9 | 0 | 0 | 0 | 112.7 | L114 F117 K118 L121 E885 E886 Y887 F892 K893 | L114-F889 HydrophobicContact CB-CE2 4.39Å; L114-F889 HydrophobicContact CD2-CE2 4.42Å; L114-F889 WeakPolarHBondContact O-CE2 3.23Å; F117-F889 HydrophobicContact CD1-CD2 4.16Å; K118-F889 HydrophobicContact CB-CD2 3.89Å; K118-F889 HydrophobicContact CB-CE2 3.69Å; K118-F889 HydrophobicContact CB-CZ 4.39Å; K118-F889 HydrophobicContact CD-CE2 4.39Å; K118-F889 HydrophobicContact CD-CZ 4.28Å; K118-F889 HydrophobicContact CG-CD2 4.36Å; K118-F889 HydrophobicContact CG-CE2 4.28Å; L121-F889 HydrophobicContact CD1-CB 4.1Å; E885-F889 VanDerWaalsContact O-CB 3.3Å; E885-F889 WeakPolarHBondContact O-CB 3.29Å; E885-F889 PolarHBondContact O-N 3.24Å; E886-F889 PolarHBondContact O-N 2.88Å; Y887-F889 VanDerWaalsContact C-N 3.31Å; Y887-F889 PolarHBondContact O-N 3.4Å; F889-F892 PolarHBondContact O-N 3.49Å; F889-K893 HydrophobicContact CE1-CD 4.41Å; F889-K893 VanDerWaalsContact O-CB 3.25Å; F889-K893 WeakPolarHBondContact O-CB 3.49Å; F889-K893 PolarHBondContact O-N 3.03Å |
| 890 | K | 94.5 | Very high | 90.6 | Very high | 124 Ų | 124 | 42.6 Ų | 42.6 | 54% | 0.539 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64 | -44.9 | 176.9 | -77.7 | 175.2 | -177.5 | 163.5 | 0 | 111.9 | E886 Y887 K893 S894 | E886-K890 HydrophobicContact CG-CD 4.39Å; E886-K890 WeakPolarHBondContact O-CB 3.4Å; E886-K890 WeakPolarHBondContact O-CG 3.26Å; E886-K890 PolarHBondContact O-N 3.37Å; E886-K890 WeakPolarHBondContact OE1-CE 3.46Å; E886-K890 IonicContact OE1-NZ 2.72Å; E886-K890 PolarHBondContact OE1-NZ 3.04Å; Y887-K890 PolarHBondContact O-N 3.01Å; K890-K893 PolarHBondContact O-N 3.3Å; K890-S894 PolarHBondContact O-N 2.91Å |
| 891 | R | 92.5 | Very high | 90.3 | Very high | 66 Ų | 66 | 50 Ų | 50 | 25% | 0.249 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.9 | -43.2 | 176.6 | -168.5 | -179.2 | 177 | -171.9 | 3.3 | 111.6 | V868 E871 Y887 F888 K893 S894 H895 | V868-R891 HydrophobicContact CG1-CB 4.12Å; V868-R891 HydrophobicContact CG1-CG 4.05Å; V868-R891 HydrophobicContact CG2-CG 3.98Å; E871-R891 IonicContact OE2-NH1 3.7Å; E871-R891 PolarHBondContact OE2-NH1 2.93Å; E871-R891 VanDerWaalsContact OE2-NH1 3.1Å; Y887-R891 PolarHBondContact O-N 3.39Å; F888-R891 PolarHBondContact O-N 3.13Å; R891-K893 VanDerWaalsContact C-N 3.34Å; R891-K893 PolarHBondContact O-N 3.17Å; R891-S894 PolarHBondContact O-N 3.49Å; R891-S894 PolarHBondContact O-OG 3.31Å; R891-H895 PolarHBondContact O-CD2 3.21Å; R891-H895 PolarHBondContact O-N 3.45Å |
| 892 | F | 92.6 | Very high | 90 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 174.6 | -174.6 | -92.4 | 0 | 0 | 0 | 111.9 | R113 L114 F117 L140 S865 M866 V868 A869 F888 F889 S894 A896 | R113-F892 HydrophobicContact CG-CE1 3.9Å; R113-F892 HydrophobicContact CG-CZ 3.71Å; L114-F892 HydrophobicContact CD2-CD1 3.86Å; L114-F892 HydrophobicContact CD2-CE1 4.06Å; F117-F892 HydrophobicContact CB-CD1 4.15Å; F117-F892 HydrophobicContact CB-CE1 3.97Å; F117-F892 HydrophobicContact CB-CZ 4.34Å; F117-F892 HydrophobicContact CD1-CB 3.63Å; F117-F892 AromaticContact CD1-CD1 3.57Å; F117-F892 HydrophobicContact CD1-CD1 3.57Å; F117-F892 HydrophobicContact CD1-CD2 4.05Å; F117-F892 HydrophobicContact CD1-CE1 4.22Å; F117-F892 AromaticContact CD1-CG 3.47Å; F117-F892 HydrophobicContact CD1-CG 3.47Å; F117-F892 VanDerWaalsContact CD1-CG 3.47Å; F117-F892 HydrophobicContact CE1-CB 3.39Å; F117-F892 HydrophobicContact CE1-CD1 4.22Å; F117-F892 HydrophobicContact CE1-CD2 4.06Å; F117-F892 AromaticContact CE1-CG 3.64Å; F117-F892 HydrophobicContact CE1-CG 3.64Å; F117-F892 AromaticContact CG-CD1 3.99Å; F117-F892 HydrophobicContact CG-CD1 3.99Å; F117-F892 HydrophobicContact CG-CD2 4.28Å; F117-F892 HydrophobicContact CG-CE1 4.17Å; F117-F892 HydrophobicContact CG-CE2 4.45Å; F117-F892 HydrophobicContact CG-CG 4.05Å; F117-F892 HydrophobicContact CG-CZ 4.4Å; F117-F892 HydrophobicContact CZ-CB 4.24Å; F117-F892 HydrophobicContact CZ-CD2 4.33Å; F117-F892 HydrophobicContact CZ-CG 4.35Å; L140-F892 HydrophobicContact CD1-CZ 4.25Å; L140-F892 HydrophobicContact CD2-CE2 3.93Å; L140-F892 HydrophobicContact CD2-CZ 4.03Å; L140-F892 HydrophobicContact CG-CZ 4.46Å; S865-F892 WeakPolarHBondContact O-CD2 3.46Å; S865-F892 WeakPolarHBondContact O-CE2 3.45Å; M866-F892 HydrophobicContact CE-CE2 3.79Å; M866-F892 HydrophobicContact CE-CZ 4.01Å; V868-F892 HydrophobicContact CG1-CB 4.33Å; A869-F892 HydrophobicContact CB-CD2 4.18Å; A869-F892 HydrophobicContact CB-CE2 4Å; F888-F892 VanDerWaalsContact O-CB 3.28Å; F888-F892 WeakPolarHBondContact O-CB 3.25Å; F888-F892 PolarHBondContact O-N 3.16Å; F889-F892 PolarHBondContact O-N 3.49Å; F892-S894 PolarHBondContact O-N 3Å; F892-A896 VanDerWaalsContact O-CB 3.3Å; F892-A896 WeakPolarHBondContact O-CB 3.41Å; F892-A896 PolarHBondContact O-N 3.44Å |
| 893 | K | 94.1 | Very high | 89.7 | Confident | 100 Ų | 100 | 55.3 Ų | 55.3 | 44% | 0.435 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.8 | -38.7 | 178.9 | -176.1 | -177.5 | 176.8 | -173.6 | 0 | 112.9 | L114 F889 K890 R891 A896 C897 | L114-K893 HydrophobicContact CD1-CG 4.39Å; L114-K893 HydrophobicContact CD2-CB 3.96Å; L114-K893 HydrophobicContact CD2-CG 4.1Å; F889-K893 HydrophobicContact CE1-CD 4.41Å; F889-K893 VanDerWaalsContact O-CB 3.25Å; F889-K893 WeakPolarHBondContact O-CB 3.49Å; F889-K893 PolarHBondContact O-N 3.03Å; K890-K893 PolarHBondContact O-N 3.3Å; R891-K893 VanDerWaalsContact C-N 3.34Å; R891-K893 PolarHBondContact O-N 3.17Å; K893-A896 PolarHBondContact O-N 2.93Å; K893-C897 WeakPolarHBondContact O-CB 3.21Å; K893-C897 PolarHBondContact O-N 3.04Å; K893-C897 PolarHBondContact O-SG 3Å |
| 894 | S | 91.5 | Very high | 89.5 | Confident | 64 Ų | 64 | 55.7 Ų | 55.7 | 45% | 0.448 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.1 | -49.1 | 178.5 | 62.2 | 0 | 0 | 0 | 0 | 111.3 | K890 R891 F892 A896 C897 E898 | K890-S894 PolarHBondContact O-N 2.91Å; R891-S894 PolarHBondContact O-N 3.49Å; R891-S894 PolarHBondContact O-OG 3.31Å; F892-S894 PolarHBondContact O-N 3Å; S894-A896 PolarHBondContact O-N 3.46Å; S894-C897 PolarHBondContact O-N 2.88Å; S894-E898 PolarHBondContact O-N 3.2Å |
| 895 | H | 88.8 | Confident | 89.3 | Confident | 46 Ų | 46 | 63.2 Ų | 63.2 | 21% | 0.213 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 176.4 | -69.8 | -64 | 0 | 0 | 0 | 112.3 | R891 C897 E898 N899 | R891-H895 PolarHBondContact O-CD2 3.21Å; R891-H895 PolarHBondContact O-N 3.45Å; H895-C897 VanDerWaalsContact C-N 3.35Å; H895-C897 PolarHBondContact O-N 3.4Å; H895-E898 PolarHBondContact O-N 3.17Å; H895-N899 PolarHBondContact O-N 3.3Å |
| 896 | A | 87 | Confident | 89 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L114 F892 K893 S894 N899 Q900 | L114-A896 HydrophobicContact CD2-CB 4.11Å; F892-A896 VanDerWaalsContact O-CB 3.3Å; F892-A896 WeakPolarHBondContact O-CB 3.41Å; F892-A896 PolarHBondContact O-N 3.44Å; K893-A896 PolarHBondContact O-N 2.93Å; S894-A896 PolarHBondContact O-N 3.46Å; A896-N899 PolarHBondContact O-N 3.43Å; A896-Q900 WeakPolarHBondContact O-CB 3.35Å; A896-Q900 PolarHBondContact O-N 3.34Å |
| 897 | C | 87.7 | Confident | 88.8 | Confident | 53 Ų | 53 | 60.8 Ų | 60.8 | 36% | 0.358 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.1 | -40.4 | 175.7 | -77.5 | 0 | 0 | 0 | 0 | 112.8 | K893 S894 H895 Q900 K901 | K893-C897 WeakPolarHBondContact O-CB 3.21Å; K893-C897 PolarHBondContact O-N 3.04Å; K893-C897 PolarHBondContact O-SG 3Å; S894-C897 PolarHBondContact O-N 2.88Å; H895-C897 VanDerWaalsContact C-N 3.35Å; H895-C897 PolarHBondContact O-N 3.4Å; C897-Q900 PolarHBondContact O-N 2.81Å; C897-K901 PolarHBondContact O-N 3.34Å; C897-K901 VanDerWaalsContact O-N 3.11Å |
| 898 | E | 86.3 | Confident | 88.7 | Confident | 91 Ų | 91 | 60.9 Ų | 60.9 | 43% | 0.425 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.1 | -44.3 | 176.1 | -164 | -167.8 | 152.4 | 0 | 0 | 111.3 | S894 H895 Q900 K901 K902 | S894-E898 PolarHBondContact O-N 3.2Å; H895-E898 PolarHBondContact O-N 3.17Å; E898-Q900 VanDerWaalsContact C-N 3.31Å; E898-Q900 PolarHBondContact O-N 3.13Å; E898-K901 PolarHBondContact O-N 3.37Å; E898-K902 PolarHBondContact O-N 3.49Å; E898-K902 VanDerWaalsContact O-N 3.16Å; E898-K902 VanDerWaalsContact OE1-CE 3.24Å; E898-K902 WeakPolarHBondContact OE1-CE 3.29Å; E898-K902 IonicContact OE1-NZ 2.76Å; E898-K902 PolarHBondContact OE1-NZ 3.49Å |
| 899 | N | 83.7 | Confident | 88.5 | Confident | 15 Ų | 15 | 65.8 Ų | 65.8 | 8% | 0.08 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 175.5 | -72.1 | -4 | 0 | 0 | 0 | 111.2 | N861 D862 H895 A896 K901 K902 R903 | N861-N899 VanDerWaalsContact C-ND2 3.29Å; N861-N899 WeakPolarHBondContact CB-OD1 3.2Å; N861-N899 PolarHBondContact O-ND2 3.36Å; D862-N899 PolarHBondContact OD1-ND2 3.5Å; H895-N899 PolarHBondContact O-N 3.3Å; A896-N899 PolarHBondContact O-N 3.43Å; N899-K901 VanDerWaalsContact C-N 3.33Å; N899-K901 PolarHBondContact O-N 3.35Å; N899-K902 PolarHBondContact O-N 3.43Å; N899-R903 WeakPolarHBondContact O-CB 3.48Å; N899-R903 PolarHBondContact O-N 3.48Å |
| 900 | Q | 84.8 | Confident | 88.1 | Confident | 26 Ų | 26 | 66 Ų | 66 | 12% | 0.121 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62 | -38 | 177.5 | -174.3 | 58.9 | 24.2 | 0 | 0 | 112.5 | S106 A896 C897 E898 R903 T904 | S106-Q900 PolarHBondContact O-OE1 3.37Å; S106-Q900 PolarHBondContact OG-NE2 2.95Å; S106-Q900 PolarHBondContact OG-OE1 3.16Å; A896-Q900 WeakPolarHBondContact O-CB 3.35Å; A896-Q900 PolarHBondContact O-N 3.34Å; C897-Q900 PolarHBondContact O-N 2.81Å; E898-Q900 VanDerWaalsContact C-N 3.31Å; E898-Q900 PolarHBondContact O-N 3.13Å; Q900-R903 PolarHBondContact O-N 3.21Å; Q900-T904 PolarHBondContact O-N 3.11Å; Q900-T904 PolarHBondContact O-OG1 2.79Å |
| 901 | K | 85.8 | Confident | 87.9 | Confident | 159 Ų | 159 | 60.1 Ų | 60.1 | 69% | 0.691 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64.4 | -49.1 | 176 | -72.9 | 178.3 | -179.1 | 179.3 | 0 | 111.9 | C897 E898 N899 R903 T904 K905 | C897-K901 PolarHBondContact O-N 3.34Å; C897-K901 VanDerWaalsContact O-N 3.11Å; E898-K901 PolarHBondContact O-N 3.37Å; N899-K901 VanDerWaalsContact C-N 3.33Å; N899-K901 PolarHBondContact O-N 3.35Å; K901-R903 VanDerWaalsContact C-N 3.29Å; K901-R903 PolarHBondContact O-N 3.23Å; K901-T904 PolarHBondContact O-N 3.4Å; K901-K905 PolarHBondContact O-N 3.46Å |
| 902 | K | 83.3 | Confident | 87.8 | Confident | 82 Ų | 82 | 60.6 Ų | 60.6 | 36% | 0.357 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.1 | -41.5 | 177.1 | -69 | 177.3 | -174.5 | 165.2 | 0 | 111 | N861 E898 N899 T904 K905 N906 | N861-K902 VanDerWaalsContact ND2-CD 3.31Å; N861-K902 WeakPolarHBondContact ND2-CD 3.3Å; E898-K902 PolarHBondContact O-N 3.49Å; E898-K902 VanDerWaalsContact O-N 3.16Å; E898-K902 VanDerWaalsContact OE1-CE 3.24Å; E898-K902 WeakPolarHBondContact OE1-CE 3.29Å; E898-K902 IonicContact OE1-NZ 2.76Å; E898-K902 PolarHBondContact OE1-NZ 3.49Å; N899-K902 PolarHBondContact O-N 3.43Å; K902-T904 PolarHBondContact O-N 2.99Å; K902-K905 PolarHBondContact O-N 3.23Å; K902-N906 PolarHBondContact O-N 2.94Å |
| 903 | R | 83.4 | Confident | 87.5 | Confident | 42 Ų | 42 | 61 Ų | 61 | 16% | 0.158 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 178.7 | -172.4 | 173.2 | 176.2 | 162.2 | 10.5 | 113.1 | S106 E148 N899 Q900 K901 K905 N906 I907 | S106-R903 VanDerWaalsContact OG-CD 3.24Å; S106-R903 WeakPolarHBondContact OG-CD 3.33Å; S106-R903 PolarHBondContact OG-NE 3.25Å; S106-R903 VanDerWaalsContact OG-NE 3.13Å; E148-R903 IonicContact OE1-CZ 2.64Å; E148-R903 IonicContact OE1-NH1 2.62Å; E148-R903 IonicContact OE1-NH2 3.78Å; E148-R903 PolarHBondContact OE1-NH2 2.86Å; E148-R903 IonicContact OE2-CZ 3.55Å; E148-R903 IonicContact OE2-NH1 3.33Å; E148-R903 PolarHBondContact OE2-NH1 3.21Å; E148-R903 IonicContact OE2-NH2 3.01Å; E148-R903 PolarHBondContact OE2-NH2 2.85Å; N899-R903 WeakPolarHBondContact O-CB 3.48Å; N899-R903 PolarHBondContact O-N 3.48Å; Q900-R903 PolarHBondContact O-N 3.21Å; K901-R903 VanDerWaalsContact C-N 3.29Å; K901-R903 PolarHBondContact O-N 3.23Å; R903-K905 VanDerWaalsContact C-N 3.32Å; R903-K905 PolarHBondContact O-N 2.91Å; R903-N906 PolarHBondContact O-N 3.42Å; R903-I907 HydrophobicContact CG-CD1 4.27Å; R903-I907 VanDerWaalsContact O-CG1 3.32Å; R903-I907 WeakPolarHBondContact O-CG1 3.44Å; R903-I907 PolarHBondContact O-N 2.98Å |
| 904 | T | 87.3 | Confident | 87.2 | Confident | 38 Ų | 38 | 57.1 Ų | 57.1 | 23% | 0.233 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 176.2 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | I103 Q900 K901 K902 I907 I908 | I103-T904 HydrophobicContact CD1-CG2 3.97Å; Q900-T904 PolarHBondContact O-N 3.11Å; Q900-T904 PolarHBondContact O-OG1 2.79Å; K901-T904 PolarHBondContact O-N 3.4Å; K902-T904 PolarHBondContact O-N 2.99Å; T904-I907 PolarHBondContact O-N 3.32Å; T904-I908 WeakPolarHBondContact O-CG1 3.48Å; T904-I908 PolarHBondContact O-N 2.89Å; T904-I908 VanDerWaalsContact O-N 3.13Å |
| 905 | K | 87 | Confident | 87.1 | Confident | 159 Ų | 159 | 54 Ų | 54 | 69% | 0.691 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -62.1 | -43.4 | 174.6 | -67.7 | -175.4 | 176.6 | -175.4 | 0 | 112 | K901 K902 R903 I907 I908 F909 | K901-K905 PolarHBondContact O-N 3.46Å; K902-K905 PolarHBondContact O-N 3.23Å; R903-K905 VanDerWaalsContact C-N 3.32Å; R903-K905 PolarHBondContact O-N 2.91Å; K905-I907 VanDerWaalsContact C-N 3.34Å; K905-I907 PolarHBondContact O-N 3.06Å; K905-I908 PolarHBondContact O-N 3.32Å; K905-F909 PolarHBondContact O-N 2.91Å; K905-F909 VanDerWaalsContact O-N 3.13Å |
| 906 | N | 85.1 | Confident | 87 | Confident | 78 Ų | 78 | 55 Ų | 55 | 42% | 0.417 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 176.4 | -71 | -16.1 | 0 | 0 | 0 | 111.9 | K902 R903 F909 Y910 | K902-N906 PolarHBondContact O-N 2.94Å; R903-N906 PolarHBondContact O-N 3.42Å; N906-F909 PolarHBondContact O-N 3.46Å; N906-Y910 HydrophobicContact CB-CD2 4.25Å; N906-Y910 HydrophobicContact CB-CE2 4.25Å; N906-Y910 WeakPolarHBondContact O-CB 3.21Å; N906-Y910 WeakPolarHBondContact O-CD2 3.32Å; N906-Y910 PolarHBondContact O-N 2.92Å |
| 907 | I | 88.1 | Confident | 86.8 | Confident | 13 Ų | 13 | 56 Ų | 56 | 7% | 0.067 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.6 | -50.9 | 176.2 | -68.9 | 165.8 | 0 | 0 | 0 | 110 | F99 N102 I103 R903 T904 K905 F909 Y910 S911 | F99-I907 HydrophobicContact CD2-CG2 4Å; F99-I907 HydrophobicContact CE2-CG2 4.46Å; N102-I907 HydrophobicContact CB-CB 4.48Å; N102-I907 HydrophobicContact CB-CD1 4.22Å; N102-I907 HydrophobicContact CB-CG1 4.1Å; N102-I907 HydrophobicContact CB-CG2 3.59Å; I103-I907 HydrophobicContact CD1-CD1 4.47Å; R903-I907 HydrophobicContact CG-CD1 4.27Å; R903-I907 VanDerWaalsContact O-CG1 3.32Å; R903-I907 WeakPolarHBondContact O-CG1 3.44Å; R903-I907 PolarHBondContact O-N 2.98Å; T904-I907 PolarHBondContact O-N 3.32Å; K905-I907 VanDerWaalsContact C-N 3.34Å; K905-I907 PolarHBondContact O-N 3.06Å; I907-F909 VanDerWaalsContact C-N 3.32Å; I907-F909 PolarHBondContact O-N 3.36Å; I907-Y910 PolarHBondContact O-N 3.49Å; I907-S911 WeakPolarHBondContact O-CB 3.49Å; I907-S911 PolarHBondContact O-N 3.45Å; I907-S911 PolarHBondContact O-OG 3.05Å |
| 908 | I | 91.4 | Very high | 86.6 | Confident | 80 Ų | 80 | 55.5 Ų | 55.5 | 41% | 0.41 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -56.2 | -47.4 | 179.1 | -64.8 | 165.6 | 0 | 0 | 0 | 111.2 | F99 T904 K905 S911 L912 | F99-I908 HydrophobicContact CD2-CG1 4.12Å; F99-I908 HydrophobicContact CE2-CD1 4.45Å; F99-I908 HydrophobicContact CE2-CG1 3.62Å; T904-I908 WeakPolarHBondContact O-CG1 3.48Å; T904-I908 PolarHBondContact O-N 2.89Å; T904-I908 VanDerWaalsContact O-N 3.13Å; K905-I908 PolarHBondContact O-N 3.32Å; I908-S911 PolarHBondContact O-N 3.23Å; I908-L912 PolarHBondContact O-N 2.79Å |
| 909 | F | 89.4 | Confident | 86.6 | Confident | 105 Ų | 105 | 51.2 Ų | 51.2 | 46% | 0.461 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.9 | -48.1 | 179.1 | 177.4 | -99.5 | 0 | 0 | 0 | 112.1 | K905 N906 I907 L912 V913 | K905-F909 PolarHBondContact O-N 2.91Å; K905-F909 VanDerWaalsContact O-N 3.13Å; N906-F909 PolarHBondContact O-N 3.46Å; I907-F909 VanDerWaalsContact C-N 3.32Å; I907-F909 PolarHBondContact O-N 3.36Å; F909-L912 WeakPolarHBondContact O-CB 3.31Å; F909-L912 PolarHBondContact O-N 3.07Å; F909-V913 HydrophobicContact CD1-CG2 4.43Å; F909-V913 HydrophobicContact CE1-CG2 4.04Å; F909-V913 HydrophobicContact CZ-CG2 4.12Å; F909-V913 WeakPolarHBondContact O-CG2 3.3Å; F909-V913 PolarHBondContact O-N 3.44Å |
| 910 | Y | 86.5 | Confident | 86.8 | Confident | 46 Ų | 46 | 51.2 Ų | 51.2 | 18% | 0.18 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -72.9 | -30 | -178.7 | -72.8 | -61.5 | 0 | 0 | 0 | 113.3 | N906 I907 L912 V913 Y914 | N906-Y910 HydrophobicContact CB-CD2 4.25Å; N906-Y910 HydrophobicContact CB-CE2 4.25Å; N906-Y910 WeakPolarHBondContact O-CB 3.21Å; N906-Y910 WeakPolarHBondContact O-CD2 3.32Å; N906-Y910 PolarHBondContact O-N 2.92Å; I907-Y910 PolarHBondContact O-N 3.49Å; Y910-L912 VanDerWaalsContact C-N 3.33Å; Y910-V913 PolarHBondContact O-N 3.13Å; Y910-Y914 WeakPolarHBondContact O-CB 3.4Å; Y910-Y914 PolarHBondContact O-N 3.4Å |
| 911 | S | 90.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.2 | -35.2 | 171.9 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | D98 F99 I907 I908 Y914 A915 | D98-S911 WeakPolarHBondContact OD2-CA 3.36Å; D98-S911 VanDerWaalsContact OD2-CB 3.3Å; D98-S911 WeakPolarHBondContact OD2-CB 3.44Å; D98-S911 PolarHBondContact OD2-OG 2.96Å; F99-S911 WeakPolarHBondContact CA-OG 3.44Å; F99-S911 PolarHBondContact N-OG 3.45Å; I907-S911 WeakPolarHBondContact O-CB 3.49Å; I907-S911 PolarHBondContact O-N 3.45Å; I907-S911 PolarHBondContact O-OG 3.05Å; I908-S911 PolarHBondContact O-N 3.23Å; S911-Y914 PolarHBondContact O-N 3.39Å; S911-A915 WeakPolarHBondContact O-CB 3.36Å; S911-A915 PolarHBondContact O-N 3.04Å |
| 912 | L | 90.7 | Very high | 86.8 | Confident | 76 Ų | 76 | 44.5 Ų | 44.5 | 40% | 0.398 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.2 | -44 | 172 | -176.6 | 66.6 | 0 | 0 | 0 | 111.9 | F91 F95 I908 F909 Y910 Y914 A915 L916 | F91-L912 HydrophobicContact CE2-CD1 4.48Å; F91-L912 HydrophobicContact CZ-CD1 3.79Å; F95-L912 HydrophobicContact CD2-CB 4.43Å; F95-L912 HydrophobicContact CE2-CB 4.23Å; I908-L912 PolarHBondContact O-N 2.79Å; F909-L912 WeakPolarHBondContact O-CB 3.31Å; F909-L912 PolarHBondContact O-N 3.07Å; Y910-L912 VanDerWaalsContact C-N 3.33Å; L912-Y914 VanDerWaalsContact C-N 3.31Å; L912-Y914 PolarHBondContact O-N 2.91Å; L912-A915 PolarHBondContact O-N 3.47Å; L912-L916 WeakPolarHBondContact O-CG 3.27Å; L912-L916 PolarHBondContact O-N 2.88Å |
| 913 | V | 86.7 | Confident | 87.1 | Confident | 9 Ų | 9 | 44.1 Ų | 44.1 | 6% | 0.055 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.7 | -43.4 | 174.7 | 168.6 | 0 | 0 | 0 | 0 | 111.1 | L848 F909 Y910 L916 A917 | L848-V913 HydrophobicContact CB-CG1 3.48Å; L848-V913 VanDerWaalsContact CB-CG1 3.48Å; L848-V913 HydrophobicContact CB-CG2 4.28Å; L848-V913 HydrophobicContact CD1-CG1 4.28Å; L848-V913 HydrophobicContact CD1-CG2 3.92Å; F909-V913 HydrophobicContact CD1-CG2 4.43Å; F909-V913 HydrophobicContact CE1-CG2 4.04Å; F909-V913 HydrophobicContact CZ-CG2 4.12Å; F909-V913 WeakPolarHBondContact O-CG2 3.3Å; F909-V913 PolarHBondContact O-N 3.44Å; Y910-V913 PolarHBondContact O-N 3.13Å; V913-L916 PolarHBondContact O-N 3.39Å; V913-A917 PolarHBondContact O-N 3.5Å |
| 914 | Y | 85.9 | Confident | 87.3 | Confident | 17 Ų | 17 | 42.5 Ų | 42.5 | 7% | 0.067 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.4 | -43.5 | 176.7 | 179.2 | -104.6 | 0 | 0 | 0 | 111.6 | Q97 D98 K160 Q849 Y910 S911 L912 L916 A917 E918 | Q97-Y914 PolarHBondContact OE1-OH 3Å; D98-Y914 HydrophobicContact CB-CD1 3.5Å; D98-Y914 HydrophobicContact CB-CE1 3.94Å; D98-Y914 HydrophobicContact CB-CG 4.16Å; K160-Y914 PolarHBondContact NZ-OH 2.87Å; Q849-Y914 VanDerWaalsContact NE2-CD2 3.32Å; Y910-Y914 WeakPolarHBondContact O-CB 3.4Å; Y910-Y914 PolarHBondContact O-N 3.4Å; S911-Y914 PolarHBondContact O-N 3.39Å; L912-Y914 VanDerWaalsContact C-N 3.31Å; L912-Y914 PolarHBondContact O-N 2.91Å; Y914-L916 VanDerWaalsContact C-N 3.34Å; Y914-L916 PolarHBondContact O-N 2.9Å; Y914-A917 WeakPolarHBondContact O-CB 3.16Å; Y914-A917 PolarHBondContact O-N 3.36Å; Y914-A917 VanDerWaalsContact O-N 3.14Å; Y914-E918 HydrophobicContact CE1-CG 4.16Å; Y914-E918 HydrophobicContact CE2-CG 4.09Å; Y914-E918 PolarHBondContact O-N 3.48Å |
| 915 | A | 89.8 | Confident | 87.3 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62 | -40 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | F91 S94 F95 S911 L912 G919 | F91-A915 HydrophobicContact CD2-CB 3.91Å; F91-A915 WeakPolarHBondContact CD2-O 3.36Å; F91-A915 HydrophobicContact CE2-CB 3.87Å; F91-A915 HydrophobicContact CG-CB 4.4Å; F91-A915 HydrophobicContact CZ-CB 4.37Å; F91-A915 WeakPolarHBondContact O-CB 3.1Å; S94-A915 WeakPolarHBondContact OG-CA 3.43Å; F95-A915 HydrophobicContact CB-CB 3.74Å; F95-A915 HydrophobicContact CD2-CB 4.43Å; S911-A915 WeakPolarHBondContact O-CB 3.36Å; S911-A915 PolarHBondContact O-N 3.04Å; L912-A915 PolarHBondContact O-N 3.47Å; A915-G919 PolarHBondContact O-N 3.47Å |
| 916 | L | 87.4 | Confident | 87.4 | Confident | 67 Ų | 67 | 34.9 Ų | 34.9 | 35% | 0.351 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.3 | -44 | 172.4 | -73.1 | 169.4 | 0 | 0 | 0 | 111.4 | F91 L912 V913 Y914 E918 V920 | F91-L916 HydrophobicContact CD2-CD2 4.41Å; F91-L916 HydrophobicContact CE2-CD2 3.63Å; F91-L916 HydrophobicContact CE2-CG 3.86Å; F91-L916 HydrophobicContact CZ-CD2 4.47Å; L912-L916 WeakPolarHBondContact O-CG 3.27Å; L912-L916 PolarHBondContact O-N 2.88Å; V913-L916 PolarHBondContact O-N 3.39Å; Y914-L916 VanDerWaalsContact C-N 3.34Å; Y914-L916 PolarHBondContact O-N 2.9Å; L916-E918 VanDerWaalsContact C-N 3.34Å; L916-E918 PolarHBondContact O-N 3.02Å; L916-V920 HydrophobicContact CB-CG2 4.49Å; L916-V920 HydrophobicContact CD2-CG2 4.19Å; L916-V920 WeakPolarHBondContact O-CB 3.23Å; L916-V920 WeakPolarHBondContact O-CG2 3.45Å; L916-V920 PolarHBondContact O-N 3.2Å |
| 917 | A | 82.3 | Confident | 87.7 | Confident | 20 Ų | 20 | 32.6 Ų | 32.6 | 17% | 0.165 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.1 | -36.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V913 Y914 P921 | V913-A917 PolarHBondContact O-N 3.5Å; Y914-A917 WeakPolarHBondContact O-CB 3.16Å; Y914-A917 PolarHBondContact O-N 3.36Å; Y914-A917 VanDerWaalsContact O-N 3.14Å; A917-P921 VanDerWaalsContact O-CD 3.23Å; A917-P921 WeakPolarHBondContact O-CD 3.33Å; A917-P921 WeakPolarHBondContact O-CG 3.34Å |
| 918 | E | 84.1 | Confident | 87.7 | Confident | 43 Ų | 43 | 32.1 Ų | 32.1 | 20% | 0.201 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -82.7 | -39.8 | 177.9 | -67.8 | -75.9 | -176.6 | 0 | 0 | 112.2 | M90 K160 Y914 L916 | M90-E918 WeakPolarHBondContact CE-O 3.48Å; K160-E918 IonicContact NZ-OE1 3.54Å; K160-E918 PolarHBondContact NZ-OE1 3.41Å; Y914-E918 HydrophobicContact CE1-CG 4.16Å; Y914-E918 HydrophobicContact CE2-CG 4.09Å; Y914-E918 PolarHBondContact O-N 3.48Å; L916-E918 VanDerWaalsContact C-N 3.34Å; L916-E918 PolarHBondContact O-N 3.02Å |
| 919 | G | 86.4 | Confident | 87.7 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -78.9 | -41.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | A915 P921 M922 F923 | A915-G919 PolarHBondContact O-N 3.47Å; G919-P921 VanDerWaalsContact C-CD 3.49Å; G919-M922 PolarHBondContact O-N 3.18Å; G919-M922 VanDerWaalsContact O-N 3.15Å; G919-F923 WeakPolarHBondContact O-CD2 3.36Å |
| 920 | V | 87.3 | Confident | 87.7 | Confident | 15 Ų | 15 | 24.6 Ų | 24.6 | 9% | 0.091 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.6 | -38.6 | -174.3 | 174 | 0 | 0 | 0 | 0 | 114.3 | F838 I841 I842 L916 M922 F923 S924 | F838-V920 HydrophobicContact CB-CG1 4.5Å; F838-V920 HydrophobicContact CD1-CG1 3.88Å; I841-V920 HydrophobicContact CB-CG1 4.37Å; I841-V920 HydrophobicContact CG2-CB 4.41Å; I841-V920 HydrophobicContact CG2-CG1 4.07Å; I841-V920 HydrophobicContact CG2-CG2 3.98Å; I842-V920 HydrophobicContact CG1-CG1 4.33Å; L916-V920 HydrophobicContact CB-CG2 4.49Å; L916-V920 HydrophobicContact CD2-CG2 4.19Å; L916-V920 WeakPolarHBondContact O-CB 3.23Å; L916-V920 WeakPolarHBondContact O-CG2 3.45Å; L916-V920 PolarHBondContact O-N 3.2Å; V920-M922 PolarHBondContact O-N 3.01Å; V920-F923 PolarHBondContact O-N 3.03Å; V920-F923 VanDerWaalsContact O-N 3.12Å; V920-S924 PolarHBondContact O-N 2.82Å |
| 921 | P | 84.5 | Confident | 87.9 | Confident | 31 Ų | 31 | 24.6 Ų | 24.6 | 20% | 0.201 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -54 | -34.3 | 174.8 | -29.4 | 36.7 | 0 | 0 | 0 | 114.4 | I842 A917 G919 S924 F925 | I842-P921 HydrophobicContact CD1-CG 4.49Å; A917-P921 VanDerWaalsContact O-CD 3.23Å; A917-P921 WeakPolarHBondContact O-CD 3.33Å; A917-P921 WeakPolarHBondContact O-CG 3.34Å; G919-P921 VanDerWaalsContact C-CD 3.49Å; P921-S924 WeakPolarHBondContact O-CB 3.47Å; P921-S924 PolarHBondContact O-N 3.41Å; P921-F925 WeakPolarHBondContact O-CD1 3.19Å; P921-F925 WeakPolarHBondContact O-CG 3.16Å; P921-F925 PolarHBondContact O-N 3.37Å |
| 922 | M | 86.7 | Confident | 87.9 | Confident | 13 Ų | 13 | 24.6 Ų | 24.6 | 6% | 0.064 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -71.3 | -37 | 179.3 | -60.9 | -55.6 | 168.4 | 0 | 0 | 112.4 | N55 G87 M90 G919 V920 S924 F925 A926 | N55-M922 HydrophobicContact CB-CE 3.75Å; N55-M922 HydrophobicContact CB-SD 4.04Å; N55-M922 VanDerWaalsContact CG-CE 3.48Å; N55-M922 PolarHBondContact OD1-SD 3.02Å; G87-M922 VanDerWaalsContact CA-CB 3.47Å; M90-M922 HydrophobicContact CE-CE 3.6Å; M90-M922 HydrophobicContact CE-CG 3.55Å; M90-M922 HydrophobicContact CE-SD 4.42Å; M90-M922 HydrophobicContact SD-CE 3.64Å; M90-M922 HydrophobicContact SD-CG 3.75Å; M90-M922 HydrophobicContact SD-SD 4.35Å; G919-M922 PolarHBondContact O-N 3.18Å; G919-M922 VanDerWaalsContact O-N 3.15Å; V920-M922 PolarHBondContact O-N 3.01Å; M922-S924 VanDerWaalsContact C-N 3.31Å; M922-F925 WeakPolarHBondContact O-CB 3.43Å; M922-F925 PolarHBondContact O-N 3.49Å; M922-F925 HydrophobicContact SD-CD2 4.24Å; M922-A926 PolarHBondContact O-N 3.04Å |
| 923 | F | 89.2 | Confident | 87.9 | Confident | 75 Ų | 75 | 21 Ų | 21 | 33% | 0.329 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -66.2 | -36.5 | 172 | -65.2 | -68.4 | 0 | 0 | 0 | 111.6 | A84 A88 F838 G919 V920 F925 A926 A927 | A84-F923 HydrophobicContact CB-CE1 4.45Å; A88-F923 HydrophobicContact CB-CZ 4.13Å; F838-F923 HydrophobicContact CE1-CB 4.26Å; G919-F923 WeakPolarHBondContact O-CD2 3.36Å; V920-F923 PolarHBondContact O-N 3.03Å; V920-F923 VanDerWaalsContact O-N 3.12Å; F923-F925 VanDerWaalsContact C-N 3.29Å; F923-F925 PolarHBondContact O-N 3.25Å; F923-A926 PolarHBondContact O-N 2.99Å; F923-A927 WeakPolarHBondContact O-CB 3.47Å; F923-A927 PolarHBondContact O-N 3.23Å |
| 924 | S | 87.7 | Confident | 88 | Confident | 8 Ų | 8 | 26.5 Ų | 26.5 | 6% | 0.056 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.3 | -36.6 | 172.6 | -177.4 | 0 | 0 | 0 | 0 | 112 | V920 P921 M922 A928 | V920-S924 PolarHBondContact O-N 2.82Å; P921-S924 WeakPolarHBondContact O-CB 3.47Å; P921-S924 PolarHBondContact O-N 3.41Å; M922-S924 VanDerWaalsContact C-N 3.31Å; S924-A928 VanDerWaalsContact O-CB 3.25Å; S924-A928 WeakPolarHBondContact O-CB 3.46Å; S924-A928 PolarHBondContact O-N 3.37Å |
| 925 | F | 87.2 | Confident | 88.3 | Confident | 26 Ų | 26 | 26.3 Ų | 26.3 | 11% | 0.114 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.6 | -45.9 | 175.5 | -72.4 | 1.6 | 0 | 0 | 0 | 111.4 | N55 F83 P921 M922 F923 A927 A928 F929 F950 N954 | N55-F925 WeakPolarHBondContact ND2-CE2 3.46Å; F83-F925 HydrophobicContact CD1-CB 4.48Å; F83-F925 HydrophobicContact CG-CB 4.43Å; P921-F925 WeakPolarHBondContact O-CD1 3.19Å; P921-F925 WeakPolarHBondContact O-CG 3.16Å; P921-F925 PolarHBondContact O-N 3.37Å; M922-F925 WeakPolarHBondContact O-CB 3.43Å; M922-F925 PolarHBondContact O-N 3.49Å; M922-F925 HydrophobicContact SD-CD2 4.24Å; F923-F925 VanDerWaalsContact C-N 3.29Å; F923-F925 PolarHBondContact O-N 3.25Å; F925-A927 PolarHBondContact O-N 2.99Å; F925-A928 PolarHBondContact O-N 3.5Å; F925-F929 HydrophobicContact CB-CD2 4.41Å; F925-F929 HydrophobicContact CB-CE2 4.28Å; F925-F929 WeakPolarHBondContact O-CD2 3.32Å; F925-F929 PolarHBondContact O-N 3.43Å; F925-F950 HydrophobicContact CB-CE2 4.43Å; F925-F950 HydrophobicContact CD1-CD2 4.33Å; F925-F950 AromaticContact CD1-CE2 3.18Å; F925-F950 HydrophobicContact CD1-CE2 3.18Å; F925-F950 AromaticContact CD1-CZ 3.58Å; F925-F950 HydrophobicContact CD1-CZ 3.58Å; F925-F950 HydrophobicContact CD2-CE2 4.4Å; F925-F950 HydrophobicContact CD2-CZ 4.13Å; F925-F950 HydrophobicContact CE1-CD2 4.33Å; F925-F950 HydrophobicContact CE1-CE1 4.36Å; F925-F950 AromaticContact CE1-CE2 3.2Å; F925-F950 HydrophobicContact CE1-CE2 3.2Å; F925-F950 AromaticContact CE1-CZ 3.21Å; F925-F950 HydrophobicContact CE1-CZ 3.21Å; F925-F950 HydrophobicContact CE2-CE2 4.45Å; F925-F950 AromaticContact CE2-CZ 3.85Å; F925-F950 HydrophobicContact CE2-CZ 3.85Å; F925-F950 AromaticContact CG-CE2 3.79Å; F925-F950 HydrophobicContact CG-CE2 3.79Å; F925-F950 AromaticContact CG-CZ 3.99Å; F925-F950 HydrophobicContact CG-CZ 3.99Å; F925-F950 HydrophobicContact CZ-CE1 4.35Å; F925-F950 AromaticContact CZ-CE2 3.89Å; F925-F950 HydrophobicContact CZ-CE2 3.89Å; F925-F950 AromaticContact CZ-CZ 3.37Å; F925-F950 HydrophobicContact CZ-CZ 3.37Å; F925-N954 WeakPolarHBondContact CE1-ND2 3.49Å; F925-N954 WeakPolarHBondContact CZ-ND2 3.12Å |
| 926 | A | 89.3 | Confident | 88.2 | Confident | 11 Ų | 11 | 27.1 Ų | 27.1 | 9% | 0.091 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.9 | -48.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V80 F83 M922 F923 A930 | V80-A926 HydrophobicContact CG1-CB 3.83Å; V80-A926 WeakPolarHBondContact CG1-O 3.48Å; F83-A926 HydrophobicContact CB-CB 3.89Å; M922-A926 PolarHBondContact O-N 3.04Å; F923-A926 PolarHBondContact O-N 2.99Å; A926-A930 VanDerWaalsContact O-CB 3.28Å; A926-A930 WeakPolarHBondContact O-CB 3.29Å; A926-A930 PolarHBondContact O-N 2.82Å |
| 927 | A | 90.2 | Very high | 88.1 | Confident | 30 Ų | 30 | 26.5 Ų | 26.5 | 25% | 0.248 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.2 | -43.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V834 F838 F923 F925 L931 | V834-A927 HydrophobicContact CG1-CB 4.03Å; F838-A927 HydrophobicContact CE2-CB 3.82Å; F838-A927 HydrophobicContact CZ-CB 4.11Å; F923-A927 WeakPolarHBondContact O-CB 3.47Å; F923-A927 PolarHBondContact O-N 3.23Å; F925-A927 PolarHBondContact O-N 2.99Å; A927-L931 WeakPolarHBondContact O-CB 3.5Å; A927-L931 PolarHBondContact O-N 3.36Å; A927-L931 VanDerWaalsContact O-N 3.11Å |
| 928 | A | 89.2 | Confident | 88.4 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 2% | 0.017 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.9 | -47.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L831 V835 S924 F925 G932 F950 | L831-A928 HydrophobicContact CD1-CB 4.23Å; L831-A928 VanDerWaalsContact CD1-O 3.27Å; L831-A928 WeakPolarHBondContact CD1-O 3.31Å; V835-A928 HydrophobicContact CG2-CB 3.93Å; S924-A928 VanDerWaalsContact O-CB 3.25Å; S924-A928 WeakPolarHBondContact O-CB 3.46Å; S924-A928 PolarHBondContact O-N 3.37Å; F925-A928 PolarHBondContact O-N 3.5Å; A928-G932 PolarHBondContact O-N 2.92Å; A928-F950 HydrophobicContact CB-CD2 4.37Å |
| 929 | F | 90.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -75.8 | -32.1 | -178.6 | -66.3 | -57.6 | 0 | 0 | 0 | 113.2 | F59 V62 F66 V80 F83 F925 G932 A933 V946 F947 F950 | F59-F929 AromaticContact CD2-CE2 3.91Å; F59-F929 HydrophobicContact CD2-CE2 3.91Å; F59-F929 AromaticContact CD2-CZ 3.79Å; F59-F929 HydrophobicContact CD2-CZ 3.79Å; F59-F929 AromaticContact CE2-CE1 3.87Å; F59-F929 HydrophobicContact CE2-CE1 3.87Å; F59-F929 AromaticContact CE2-CE2 3.89Å; F59-F929 HydrophobicContact CE2-CE2 3.89Å; F59-F929 AromaticContact CE2-CZ 3.28Å; F59-F929 HydrophobicContact CE2-CZ 3.28Å; F59-F929 HydrophobicContact CZ-CZ 4.31Å; V62-F929 HydrophobicContact CG1-CB 4.31Å; V62-F929 HydrophobicContact CG1-CD1 3.87Å; V62-F929 HydrophobicContact CG1-CD2 4.4Å; V62-F929 HydrophobicContact CG1-CE1 4.35Å; V62-F929 HydrophobicContact CG1-CG 3.93Å; F66-F929 HydrophobicContact CE2-CD1 4.12Å; V80-F929 HydrophobicContact CG2-CB 3.83Å; F83-F929 HydrophobicContact CD2-CD2 4.38Å; F83-F929 AromaticContact CE2-CD2 3.74Å; F83-F929 HydrophobicContact CE2-CD2 3.74Å; F83-F929 HydrophobicContact CE2-CE2 4.19Å; F83-F929 HydrophobicContact CZ-CD2 4.38Å; F83-F929 HydrophobicContact CZ-CE2 4.39Å; F925-F929 HydrophobicContact CB-CD2 4.41Å; F925-F929 HydrophobicContact CB-CE2 4.28Å; F925-F929 WeakPolarHBondContact O-CD2 3.32Å; F925-F929 PolarHBondContact O-N 3.43Å; F929-G932 PolarHBondContact O-N 3.35Å; F929-A933 WeakPolarHBondContact O-CB 3.44Å; F929-A933 PolarHBondContact O-N 3.01Å; F929-V946 HydrophobicContact CD1-CG1 4.24Å; F929-V946 HydrophobicContact CE1-CG1 4.44Å; F929-F947 HydrophobicContact CE1-CD1 4.29Å; F929-F947 HydrophobicContact CE1-CE1 4.01Å; F929-F950 HydrophobicContact CE1-CD2 4.18Å; F929-F950 HydrophobicContact CE1-CE2 4.42Å; F929-F950 HydrophobicContact CE1-CG 4.27Å; F929-F950 HydrophobicContact CE2-CD2 4.01Å; F929-F950 AromaticContact CE2-CE2 3.47Å; F929-F950 HydrophobicContact CE2-CE2 3.47Å; F929-F950 VanDerWaalsContact CE2-CE2 3.47Å; F929-F950 AromaticContact CE2-CZ 3.77Å; F929-F950 HydrophobicContact CE2-CZ 3.77Å; F929-F950 AromaticContact CZ-CD1 3.98Å; F929-F950 HydrophobicContact CZ-CD1 3.98Å; F929-F950 AromaticContact CZ-CD2 3.53Å; F929-F950 HydrophobicContact CZ-CD2 3.53Å; F929-F950 AromaticContact CZ-CE1 3.89Å; F929-F950 HydrophobicContact CZ-CE1 3.89Å; F929-F950 AromaticContact CZ-CE2 3.37Å; F929-F950 HydrophobicContact CZ-CE2 3.37Å; F929-F950 AromaticContact CZ-CG 3.8Å; F929-F950 HydrophobicContact CZ-CG 3.8Å; F929-F950 AromaticContact CZ-CZ 3.57Å; F929-F950 HydrophobicContact CZ-CZ 3.57Å |
| 930 | A | 90.4 | Very high | 88.4 | Confident | 27 Ų | 27 | 39.4 Ų | 39.4 | 22% | 0.223 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.6 | -49.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y77 V80 A926 A933 Y934 | Y77-A930 HydrophobicContact CD1-CB 4.38Å; Y77-A930 HydrophobicContact CE1-CB 4.2Å; Y77-A930 WeakPolarHBondContact CE1-O 3.46Å; V80-A930 HydrophobicContact CG1-CB 4.17Å; A926-A930 VanDerWaalsContact O-CB 3.28Å; A926-A930 WeakPolarHBondContact O-CB 3.29Å; A926-A930 PolarHBondContact O-N 2.82Å; A930-A933 PolarHBondContact O-N 3Å; A930-Y934 PolarHBondContact O-N 3.38Å |
| 931 | L | 90.7 | Very high | 88.5 | Confident | 46 Ų | 46 | 39.6 Ų | 39.6 | 24% | 0.241 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.9 | -40 | 176.9 | -179.1 | 61.9 | 0 | 0 | 0 | 111 | L831 V834 A927 A933 Y934 L935 | L831-L931 HydrophobicContact CD1-CB 4.38Å; L831-L931 HydrophobicContact CD1-CD2 4.35Å; V834-L931 HydrophobicContact CB-CD2 4.11Å; V834-L931 HydrophobicContact CG2-CD2 3.5Å; V834-L931 VanDerWaalsContact CG2-CD2 3.5Å; A927-L931 WeakPolarHBondContact O-CB 3.5Å; A927-L931 PolarHBondContact O-N 3.36Å; A927-L931 VanDerWaalsContact O-N 3.11Å; L931-A933 VanDerWaalsContact C-N 3.32Å; L931-A933 PolarHBondContact O-N 3.15Å; L931-Y934 HydrophobicContact CD1-CD1 4.47Å; L931-Y934 PolarHBondContact O-N 3.46Å; L931-L935 HydrophobicContact CD1-CD1 4.11Å; L931-L935 HydrophobicContact CD1-CG 4.02Å; L931-L935 HydrophobicContact CD2-CD1 4.31Å; L931-L935 HydrophobicContact CG-CD1 3.81Å; L931-L935 HydrophobicContact CG-CG 4.18Å; L931-L935 WeakPolarHBondContact O-CG 3.28Å; L931-L935 PolarHBondContact O-N 2.74Å |
| 932 | G | 90.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.6 | -44.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A928 F929 Y934 L935 V936 | A928-G932 PolarHBondContact O-N 2.92Å; F929-G932 PolarHBondContact O-N 3.35Å; G932-Y934 PolarHBondContact O-N 2.66Å; G932-L935 PolarHBondContact O-N 3.12Å; G932-V936 WeakPolarHBondContact O-CB 3.39Å; G932-V936 VanDerWaalsContact O-CG2 3.23Å; G932-V936 WeakPolarHBondContact O-CG2 3.39Å; G932-V936 PolarHBondContact O-N 3.22Å |
| 933 | A | 88.9 | Confident | 88.6 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63 | -41.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F66 A73 V76 Y77 F929 A930 L931 V936 S937 | F66-A933 HydrophobicContact CE1-CB 4.41Å; F66-A933 HydrophobicContact CZ-CB 3.96Å; A73-A933 HydrophobicContact CB-CB 4.48Å; V76-A933 HydrophobicContact CB-CB 3.75Å; V76-A933 HydrophobicContact CG1-CB 3.71Å; V76-A933 HydrophobicContact CG2-CB 4.15Å; Y77-A933 HydrophobicContact CE1-CB 4.22Å; F929-A933 WeakPolarHBondContact O-CB 3.44Å; F929-A933 PolarHBondContact O-N 3.01Å; A930-A933 PolarHBondContact O-N 3Å; L931-A933 VanDerWaalsContact C-N 3.32Å; L931-A933 PolarHBondContact O-N 3.15Å; A933-V936 PolarHBondContact O-N 3.35Å; A933-S937 WeakPolarHBondContact O-CB 3.48Å; A933-S937 PolarHBondContact O-N 3.23Å; A933-S937 PolarHBondContact O-OG 3.1Å |
| 934 | Y | 90.1 | Very high | 88.5 | Confident | 125 Ų | 125 | 39.5 Ų | 39.5 | 49% | 0.49 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.5 | -43.9 | 176.3 | -178.9 | -101.9 | 0 | 0 | 0 | 112.5 | Y77 A930 L931 G932 V936 S937 T938 | Y77-Y934 WeakPolarHBondContact OH-CB 3.31Å; A930-Y934 PolarHBondContact O-N 3.38Å; L931-Y934 HydrophobicContact CD1-CD1 4.47Å; L931-Y934 PolarHBondContact O-N 3.46Å; G932-Y934 PolarHBondContact O-N 2.66Å; Y934-V936 VanDerWaalsContact C-N 3.35Å; Y934-S937 PolarHBondContact O-N 3.1Å; Y934-S937 PolarHBondContact O-OG 2.93Å; Y934-T938 HydrophobicContact CE1-CG2 4.29Å; Y934-T938 HydrophobicContact CE2-CG2 4.23Å; Y934-T938 WeakPolarHBondContact O-CB 3.47Å; Y934-T938 WeakPolarHBondContact O-CG2 3.31Å; Y934-T938 PolarHBondContact O-N 3.22Å; Y934-T938 VanDerWaalsContact O-N 3.08Å; Y934-T938 PolarHBondContact O-OG1 3.19Å |
| 935 | L | 90.9 | Very high | 88.6 | Confident | 13 Ų | 13 | 39.3 Ų | 39.3 | 7% | 0.068 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71.2 | -30.7 | -179.8 | -67.7 | 174.9 | 0 | 0 | 0 | 112.4 | Q830 L931 G932 T938 K939 V940 I941 | Q830-L935 HydrophobicContact CB-CD1 4.08Å; L931-L935 HydrophobicContact CD1-CD1 4.11Å; L931-L935 HydrophobicContact CD1-CG 4.02Å; L931-L935 HydrophobicContact CD2-CD1 4.31Å; L931-L935 HydrophobicContact CG-CD1 3.81Å; L931-L935 HydrophobicContact CG-CG 4.18Å; L931-L935 WeakPolarHBondContact O-CG 3.28Å; L931-L935 PolarHBondContact O-N 2.74Å; G932-L935 PolarHBondContact O-N 3.12Å; L935-T938 WeakPolarHBondContact CA-OG1 3.43Å; L935-T938 PolarHBondContact O-OG1 3.17Å; L935-K939 PolarHBondContact O-N 2.93Å; L935-V940 HydrophobicContact CD2-CB 4.32Å; L935-V940 HydrophobicContact CD2-CG1 4.37Å; L935-V940 PolarHBondContact O-N 2.78Å; L935-I941 HydrophobicContact CB-CD1 3.45Å; L935-I941 VanDerWaalsContact CB-CD1 3.45Å; L935-I941 HydrophobicContact CB-CG1 3.61Å; L935-I941 HydrophobicContact CD1-CD1 3.85Å; L935-I941 HydrophobicContact CG-CD1 4.31Å; L935-I941 PolarHBondContact O-N 2.89Å |
| 936 | V | 88.6 | Confident | 88.8 | Confident | 17 Ų | 17 | 38.1 Ų | 38.1 | 10% | 0.103 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -73.6 | -43.1 | 173.6 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | F66 V71 G932 A933 Y934 T938 K939 I941 V943 V946 | F66-V936 HydrophobicContact CE1-CB 4.35Å; F66-V936 HydrophobicContact CE1-CG2 4.11Å; V71-V936 HydrophobicContact CB-CG1 4.15Å; V71-V936 HydrophobicContact CG1-CG1 4.02Å; V71-V936 HydrophobicContact CG2-CG1 4.19Å; G932-V936 WeakPolarHBondContact O-CB 3.39Å; G932-V936 VanDerWaalsContact O-CG2 3.23Å; G932-V936 WeakPolarHBondContact O-CG2 3.39Å; G932-V936 PolarHBondContact O-N 3.22Å; A933-V936 PolarHBondContact O-N 3.35Å; Y934-V936 VanDerWaalsContact C-N 3.35Å; V936-T938 VanDerWaalsContact C-N 3.29Å; V936-T938 PolarHBondContact O-N 3.29Å; V936-K939 WeakPolarHBondContact O-CA 3.35Å; V936-K939 PolarHBondContact O-N 3.28Å; V936-I941 HydrophobicContact CG2-CD1 4.44Å; V936-I941 HydrophobicContact CG2-CG1 3.86Å; V936-V943 HydrophobicContact CG1-CG2 3.85Å; V936-V943 HydrophobicContact CG2-CG2 4.44Å; V936-V946 HydrophobicContact CG2-CG2 3.69Å |
| 937 | S | 85.9 | Confident | 88.8 | Confident | 55 Ų | 55 | 37.7 Ų | 37.7 | 39% | 0.385 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66 | -31.9 | 179 | 68.1 | 0 | 0 | 0 | 0 | 112.8 | A933 Y934 K939 | A933-S937 WeakPolarHBondContact O-CB 3.48Å; A933-S937 PolarHBondContact O-N 3.23Å; A933-S937 PolarHBondContact O-OG 3.1Å; Y934-S937 PolarHBondContact O-N 3.1Å; Y934-S937 PolarHBondContact O-OG 2.93Å; S937-K939 PolarHBondContact O-N 2.62Å |
| 938 | T | 87.3 | Confident | 88.8 | Confident | 62 Ų | 62 | 37.6 Ų | 37.6 | 38% | 0.38 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 2.2 | 172.3 | 52.9 | 0 | 0 | 0 | 0 | 113.7 | Y934 L935 V936 V940 | Y934-T938 HydrophobicContact CE1-CG2 4.29Å; Y934-T938 HydrophobicContact CE2-CG2 4.23Å; Y934-T938 WeakPolarHBondContact O-CB 3.47Å; Y934-T938 WeakPolarHBondContact O-CG2 3.31Å; Y934-T938 PolarHBondContact O-N 3.22Å; Y934-T938 VanDerWaalsContact O-N 3.08Å; Y934-T938 PolarHBondContact O-OG1 3.19Å; L935-T938 WeakPolarHBondContact CA-OG1 3.43Å; L935-T938 PolarHBondContact O-OG1 3.17Å; V936-T938 VanDerWaalsContact C-N 3.29Å; V936-T938 PolarHBondContact O-N 3.29Å; T938-V940 PolarHBondContact O-N 3.23Å; T938-V940 WeakPolarHBondContact OG1-CG2 3.13Å |
| 939 | K | 83.5 | Confident | 88.9 | Confident | 192 Ų | 192 | 37.5 Ų | 37.5 | 84% | 0.835 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 24.9 | -178.8 | -57.6 | -176.9 | 178.6 | -179.4 | 0 | 114.6 | L935 V936 S937 | L935-K939 PolarHBondContact O-N 2.93Å; V936-K939 WeakPolarHBondContact O-CA 3.35Å; V936-K939 PolarHBondContact O-N 3.28Å; S937-K939 PolarHBondContact O-N 2.62Å |
| 940 | V | 88.4 | Confident | 88.7 | Confident | 80 Ų | 80 | 38.9 Ų | 38.9 | 49% | 0.485 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -77.5 | -36.2 | 177.1 | 179.3 | 0 | 0 | 0 | 0 | 111 | L935 T938 | L935-V940 HydrophobicContact CD2-CB 4.32Å; L935-V940 HydrophobicContact CD2-CG1 4.37Å; L935-V940 PolarHBondContact O-N 2.78Å; T938-V940 PolarHBondContact O-N 3.23Å; T938-V940 WeakPolarHBondContact OG1-CG2 3.13Å |
| 941 | I | 88.1 | Confident | 88.5 | Confident | 19 Ų | 19 | 37.9 Ų | 37.9 | 10% | 0.097 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -133.8 | 159.5 | 180 | 70.1 | -177.4 | 0 | 0 | 0 | 111.2 | L935 V936 A945 V946 | L935-I941 HydrophobicContact CB-CD1 3.45Å; L935-I941 VanDerWaalsContact CB-CD1 3.45Å; L935-I941 HydrophobicContact CB-CG1 3.61Å; L935-I941 HydrophobicContact CD1-CD1 3.85Å; L935-I941 HydrophobicContact CG-CD1 4.31Å; L935-I941 PolarHBondContact O-N 2.89Å; V936-I941 HydrophobicContact CG2-CD1 4.44Å; V936-I941 HydrophobicContact CG2-CG1 3.86Å; I941-A945 HydrophobicContact CB-CB 4.34Å; I941-V946 HydrophobicContact CD1-CG2 3.45Å; I941-V946 VanDerWaalsContact CD1-CG2 3.45Å; I941-V946 HydrophobicContact CG1-CG2 4.1Å |
| 942 | T | 87.4 | Confident | 88.3 | Confident | 86 Ų | 86 | 35.7 Ų | 35.7 | 53% | 0.528 | 19% | 0.185 | S | C | . | . | trans | -85.5 | 158.3 | 173.5 | 62.8 | 0 | 0 | 0 | 0 | 111.5 | V944 A945 V946 | T942-V944 PolarHBondContact O-N 3.34Å; T942-A945 WeakPolarHBondContact O-CB 3.39Å; T942-A945 PolarHBondContact O-N 3.27Å; T942-A945 VanDerWaalsContact O-N 3.09Å; T942-A945 PolarHBondContact OG1-N 3.23Å; T942-V946 PolarHBondContact O-N 3.04Å | ||
| 943 | V | 86.1 | Confident | 88 | Confident | 22 Ų | 22 | 36 Ų | 36 | 13% | 0.133 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.3 | -43.1 | 174.3 | 175.4 | 0 | 0 | 0 | 0 | 111.4 | F66 V71 V936 A945 V946 F947 | F66-V943 HydrophobicContact CB-CG1 3.75Å; F66-V943 HydrophobicContact CD1-CG1 4.09Å; F66-V943 HydrophobicContact CD1-CG2 4.18Å; F66-V943 HydrophobicContact CG-CG1 4.23Å; V71-V943 HydrophobicContact CG2-CG2 4.04Å; V936-V943 HydrophobicContact CG1-CG2 3.85Å; V936-V943 HydrophobicContact CG2-CG2 4.44Å; V943-A945 VanDerWaalsContact C-N 3.29Å; V943-A945 PolarHBondContact O-N 2.67Å; V943-V946 WeakPolarHBondContact O-CB 3.2Å; V943-V946 PolarHBondContact O-N 2.95Å; V943-V946 VanDerWaalsContact O-N 3.16Å; V943-F947 HydrophobicContact CG1-CD2 3.92Å; V943-F947 HydrophobicContact CG1-CE2 3.57Å; V943-F947 WeakPolarHBondContact O-CD2 3.21Å; V943-F947 PolarHBondContact O-N 3.02Å |
| 944 | V | 87.9 | Confident | 87.5 | Confident | 8 Ų | 8 | 38 Ų | 38 | 5% | 0.048 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.8 | -36.7 | 179 | -172.9 | 0 | 0 | 0 | 0 | 111.4 | D711 T942 V946 F947 R948 | D711-V944 HydrophobicContact CB-CG2 3.74Å; T942-V944 PolarHBondContact O-N 3.34Å; V944-V946 VanDerWaalsContact C-N 3.32Å; V944-V946 PolarHBondContact O-N 3.35Å; V944-F947 PolarHBondContact O-N 3.22Å; V944-R948 HydrophobicContact CG1-CG 4.32Å; V944-R948 VanDerWaalsContact CG1-CZ 3.46Å; V944-R948 WeakPolarHBondContact O-CB 3.33Å; V944-R948 WeakPolarHBondContact O-CG 3.46Å; V944-R948 PolarHBondContact O-N 2.84Å |
| 945 | A | 89.7 | Confident | 86.9 | Confident | 4 Ų | 4 | 33.7 Ų | 33.7 | 3% | 0.033 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.2 | -38.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I941 T942 V943 R948 V949 | I941-A945 HydrophobicContact CB-CB 4.34Å; T942-A945 WeakPolarHBondContact O-CB 3.39Å; T942-A945 PolarHBondContact O-N 3.27Å; T942-A945 VanDerWaalsContact O-N 3.09Å; T942-A945 PolarHBondContact OG1-N 3.23Å; V943-A945 VanDerWaalsContact C-N 3.29Å; V943-A945 PolarHBondContact O-N 2.67Å; A945-R948 PolarHBondContact O-N 2.93Å; A945-V949 WeakPolarHBondContact O-CG2 3.3Å; A945-V949 PolarHBondContact O-N 2.92Å |
| 946 | V | 90.6 | Very high | 86.4 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.8 | -51.1 | 175.5 | 179 | 0 | 0 | 0 | 0 | 110.6 | L831 F929 V936 I941 T942 V943 V944 R948 F950 | L831-V946 HydrophobicContact CD2-CB 4.38Å; L831-V946 HydrophobicContact CD2-CG1 4.14Å; F929-V946 HydrophobicContact CD1-CG1 4.24Å; F929-V946 HydrophobicContact CE1-CG1 4.44Å; V936-V946 HydrophobicContact CG2-CG2 3.69Å; I941-V946 HydrophobicContact CD1-CG2 3.45Å; I941-V946 VanDerWaalsContact CD1-CG2 3.45Å; I941-V946 HydrophobicContact CG1-CG2 4.1Å; T942-V946 PolarHBondContact O-N 3.04Å; V943-V946 WeakPolarHBondContact O-CB 3.2Å; V943-V946 PolarHBondContact O-N 2.95Å; V943-V946 VanDerWaalsContact O-N 3.16Å; V944-V946 VanDerWaalsContact C-N 3.32Å; V944-V946 PolarHBondContact O-N 3.35Å; V946-R948 PolarHBondContact O-N 3.38Å; V946-F950 VanDerWaalsContact O-CB 3.31Å; V946-F950 WeakPolarHBondContact O-CB 3.31Å; V946-F950 PolarHBondContact O-N 3.13Å |
| 947 | F | 90.1 | Very high | 85.8 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.009 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.5 | -34.8 | -180 | -68.2 | -65.5 | 0 | 0 | 0 | 112.6 | F59 V63 F66 T707 Y710 F929 V943 V944 F950 A951 | F59-F947 HydrophobicContact CE2-CD1 4.32Å; F59-F947 AromaticContact CE2-CE1 3.77Å; F59-F947 HydrophobicContact CE2-CE1 3.77Å; F59-F947 HydrophobicContact CZ-CD1 4.05Å; F59-F947 AromaticContact CZ-CE1 3.77Å; F59-F947 HydrophobicContact CZ-CE1 3.77Å; V63-F947 HydrophobicContact CG2-CE1 4.01Å; V63-F947 HydrophobicContact CG2-CZ 4.08Å; F66-F947 HydrophobicContact CB-CE2 3.9Å; F66-F947 HydrophobicContact CB-CZ 3.96Å; F66-F947 HydrophobicContact CD2-CE2 4.47Å; F66-F947 AromaticContact CD2-CZ 3.96Å; F66-F947 HydrophobicContact CD2-CZ 3.96Å; F66-F947 HydrophobicContact CG-CE2 4.26Å; F66-F947 HydrophobicContact CG-CZ 4.17Å; T707-F947 HydrophobicContact CG2-CB 4.45Å; Y710-F947 HydrophobicContact CD1-CD1 4.42Å; Y710-F947 AromaticContact CD1-CD2 3.74Å; Y710-F947 HydrophobicContact CD1-CD2 3.74Å; Y710-F947 HydrophobicContact CD1-CE1 4.47Å; Y710-F947 AromaticContact CD1-CE2 3.78Å; Y710-F947 HydrophobicContact CD1-CE2 3.78Å; Y710-F947 HydrophobicContact CD1-CG 4.09Å; Y710-F947 HydrophobicContact CD1-CZ 4.17Å; Y710-F947 HydrophobicContact CD2-CB 4Å; Y710-F947 HydrophobicContact CD2-CD2 4.31Å; Y710-F947 HydrophobicContact CD2-CG 4.11Å; Y710-F947 AromaticContact CE1-CD1 4Å; Y710-F947 HydrophobicContact CE1-CD1 4Å; Y710-F947 HydrophobicContact CE1-CD2 4.14Å; Y710-F947 AromaticContact CE1-CE1 3.97Å; Y710-F947 HydrophobicContact CE1-CE1 3.97Å; Y710-F947 HydrophobicContact CE1-CE2 4.1Å; Y710-F947 HydrophobicContact CE1-CG 4.1Å; Y710-F947 HydrophobicContact CE1-CZ 4.03Å; Y710-F947 HydrophobicContact CE2-CB 4.09Å; Y710-F947 HydrophobicContact CE2-CD1 4.32Å; Y710-F947 HydrophobicContact CE2-CG 4.12Å; Y710-F947 HydrophobicContact CG-CB 4.36Å; Y710-F947 AromaticContact CG-CD2 3.82Å; Y710-F947 HydrophobicContact CG-CD2 3.82Å; Y710-F947 HydrophobicContact CG-CE2 4.31Å; Y710-F947 HydrophobicContact CG-CG 4.08Å; Y710-F947 AromaticContact CZ-CD1 3.91Å; F929-F947 HydrophobicContact CE1-CD1 4.29Å; F929-F947 HydrophobicContact CE1-CE1 4.01Å; V943-F947 HydrophobicContact CG1-CD2 3.92Å; V943-F947 HydrophobicContact CG1-CE2 3.57Å; V943-F947 WeakPolarHBondContact O-CD2 3.21Å; V943-F947 PolarHBondContact O-N 3.02Å; V944-F947 PolarHBondContact O-N 3.22Å; F947-F950 PolarHBondContact O-N 2.93Å; F947-A951 VanDerWaalsContact O-CB 3.25Å; F947-A951 WeakPolarHBondContact O-CB 3.4Å; F947-A951 PolarHBondContact O-N 3.5Å |
| 948 | R | 90.1 | Very high | 85 | Confident | 28 Ų | 28 | 35.5 Ų | 35.5 | 11% | 0.106 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60 | -52.5 | 174.6 | -83.3 | 179.4 | -170.4 | 148 | 7.1 | 112.6 | L704 T707 E708 Y827 V944 A945 V946 F950 A951 T952 | L704-R948 HydrophobicContact CD2-CG 4.47Å; T707-R948 HydrophobicContact CG2-CB 4.39Å; T707-R948 HydrophobicContact CG2-CG 3.91Å; T707-R948 WeakPolarHBondContact OG1-CG 3.37Å; E708-R948 IonicContact OE1-CZ 3.33Å; E708-R948 IonicContact OE1-NE 2.86Å; E708-R948 IonicContact OE1-NH2 3.51Å; E708-R948 PolarHBondContact OE1-NH2 2.95Å; E708-R948 IonicContact OE2-NH2 3.9Å; E708-R948 PolarHBondContact OE2-NH2 3.34Å; Y827-R948 HydrophobicContact CD2-CB 4.2Å; Y827-R948 HydrophobicContact CG-CB 4.43Å; Y827-R948 VanDerWaalsContact CZ-NH1 3.34Å; Y827-R948 PolarHBondContact OH-NH1 3.15Å; V944-R948 HydrophobicContact CG1-CG 4.32Å; V944-R948 VanDerWaalsContact CG1-CZ 3.46Å; V944-R948 WeakPolarHBondContact O-CB 3.33Å; V944-R948 WeakPolarHBondContact O-CG 3.46Å; V944-R948 PolarHBondContact O-N 2.84Å; A945-R948 PolarHBondContact O-N 2.93Å; V946-R948 PolarHBondContact O-N 3.38Å; R948-F950 VanDerWaalsContact C-N 3.32Å; R948-F950 PolarHBondContact O-N 3.44Å; R948-A951 PolarHBondContact O-N 3.39Å; R948-T952 WeakPolarHBondContact O-CB 3.23Å; R948-T952 VanDerWaalsContact O-CG2 3.32Å; R948-T952 WeakPolarHBondContact O-CG2 3.23Å; R948-T952 PolarHBondContact O-N 3.31Å; R948-T952 VanDerWaalsContact O-N 3.1Å; R948-T952 PolarHBondContact O-OG1 3.35Å |
| 949 | V | 90.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.5 | -44.7 | 178.5 | 172.9 | 0 | 0 | 0 | 0 | 110.1 | A824 L831 A945 T952 I953 | A824-V949 HydrophobicContact CB-CG1 4.3Å; L831-V949 HydrophobicContact CB-CG1 4.15Å; L831-V949 HydrophobicContact CD2-CB 3.82Å; L831-V949 HydrophobicContact CD2-CG1 3.83Å; L831-V949 HydrophobicContact CD2-CG2 4.38Å; L831-V949 HydrophobicContact CG-CB 4.34Å; L831-V949 HydrophobicContact CG-CG1 3.79Å; A945-V949 WeakPolarHBondContact O-CG2 3.3Å; A945-V949 PolarHBondContact O-N 2.92Å; V949-T952 PolarHBondContact O-OG1 3.13Å; V949-T952 VanDerWaalsContact O-OG1 3.13Å; V949-I953 HydrophobicContact CG1-CD1 3.61Å; V949-I953 HydrophobicContact CG1-CG1 4.49Å; V949-I953 WeakPolarHBondContact O-CB 3.5Å; V949-I953 VanDerWaalsContact O-CG1 3.23Å; V949-I953 WeakPolarHBondContact O-CG1 3.34Å; V949-I953 PolarHBondContact O-N 3.29Å; V949-I953 VanDerWaalsContact O-N 3.14Å |
| 950 | F | 87 | Confident | 83.6 | Confident | 30 Ų | 30 | 26.3 Ų | 26.3 | 13% | 0.132 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.4 | -52.4 | 178.3 | 178.1 | -96.5 | 0 | 0 | 0 | 113.1 | F59 F925 A928 F929 V946 F947 R948 T952 N954 | F59-F950 HydrophobicContact CE2-CE1 4.45Å; F59-F950 HydrophobicContact CZ-CE1 4.45Å; F925-F950 HydrophobicContact CB-CE2 4.43Å; F925-F950 HydrophobicContact CD1-CD2 4.33Å; F925-F950 AromaticContact CD1-CE2 3.18Å; F925-F950 HydrophobicContact CD1-CE2 3.18Å; F925-F950 AromaticContact CD1-CZ 3.58Å; F925-F950 HydrophobicContact CD1-CZ 3.58Å; F925-F950 HydrophobicContact CD2-CE2 4.4Å; F925-F950 HydrophobicContact CD2-CZ 4.13Å; F925-F950 HydrophobicContact CE1-CD2 4.33Å; F925-F950 HydrophobicContact CE1-CE1 4.36Å; F925-F950 AromaticContact CE1-CE2 3.2Å; F925-F950 HydrophobicContact CE1-CE2 3.2Å; F925-F950 AromaticContact CE1-CZ 3.21Å; F925-F950 HydrophobicContact CE1-CZ 3.21Å; F925-F950 HydrophobicContact CE2-CE2 4.45Å; F925-F950 AromaticContact CE2-CZ 3.85Å; F925-F950 HydrophobicContact CE2-CZ 3.85Å; F925-F950 AromaticContact CG-CE2 3.79Å; F925-F950 HydrophobicContact CG-CE2 3.79Å; F925-F950 AromaticContact CG-CZ 3.99Å; F925-F950 HydrophobicContact CG-CZ 3.99Å; F925-F950 HydrophobicContact CZ-CE1 4.35Å; F925-F950 AromaticContact CZ-CE2 3.89Å; F925-F950 HydrophobicContact CZ-CE2 3.89Å; F925-F950 AromaticContact CZ-CZ 3.37Å; F925-F950 HydrophobicContact CZ-CZ 3.37Å; A928-F950 HydrophobicContact CB-CD2 4.37Å; F929-F950 HydrophobicContact CE1-CD2 4.18Å; F929-F950 HydrophobicContact CE1-CE2 4.42Å; F929-F950 HydrophobicContact CE1-CG 4.27Å; F929-F950 HydrophobicContact CE2-CD2 4.01Å; F929-F950 AromaticContact CE2-CE2 3.47Å; F929-F950 HydrophobicContact CE2-CE2 3.47Å; F929-F950 VanDerWaalsContact CE2-CE2 3.47Å; F929-F950 AromaticContact CE2-CZ 3.77Å; F929-F950 HydrophobicContact CE2-CZ 3.77Å; F929-F950 AromaticContact CZ-CD1 3.98Å; F929-F950 HydrophobicContact CZ-CD1 3.98Å; F929-F950 AromaticContact CZ-CD2 3.53Å; F929-F950 HydrophobicContact CZ-CD2 3.53Å; F929-F950 AromaticContact CZ-CE1 3.89Å; F929-F950 HydrophobicContact CZ-CE1 3.89Å; F929-F950 AromaticContact CZ-CE2 3.37Å; F929-F950 HydrophobicContact CZ-CE2 3.37Å; F929-F950 AromaticContact CZ-CG 3.8Å; F929-F950 HydrophobicContact CZ-CG 3.8Å; F929-F950 AromaticContact CZ-CZ 3.57Å; F929-F950 HydrophobicContact CZ-CZ 3.57Å; V946-F950 VanDerWaalsContact O-CB 3.31Å; V946-F950 WeakPolarHBondContact O-CB 3.31Å; V946-F950 PolarHBondContact O-N 3.13Å; F947-F950 PolarHBondContact O-N 2.93Å; R948-F950 VanDerWaalsContact C-N 3.32Å; R948-F950 PolarHBondContact O-N 3.44Å; F950-T952 PolarHBondContact O-N 3.01Å; F950-N954 WeakPolarHBondContact O-CB 3.29Å; F950-N954 PolarHBondContact O-N 2.86Å |
| 951 | A | 86.3 | Confident | 82.5 | Confident | 6 Ų | 6 | 23.9 Ų | 23.9 | 5% | 0.05 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.1 | -44 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A703 Y706 T707 F947 R948 M955 | A703-A951 HydrophobicContact CB-CB 4.36Å; Y706-A951 HydrophobicContact CD1-CB 4.09Å; Y706-A951 HydrophobicContact CE1-CB 4.12Å; T707-A951 HydrophobicContact CG2-CB 3.83Å; F947-A951 VanDerWaalsContact O-CB 3.25Å; F947-A951 WeakPolarHBondContact O-CB 3.4Å; F947-A951 PolarHBondContact O-N 3.5Å; R948-A951 PolarHBondContact O-N 3.39Å; A951-M955 VanDerWaalsContact O-CB 3.28Å; A951-M955 WeakPolarHBondContact O-CB 3.28Å; A951-M955 VanDerWaalsContact O-CG 3.23Å; A951-M955 WeakPolarHBondContact O-CG 3.33Å; A951-M955 PolarHBondContact O-N 3.08Å |
| 952 | T | 86.6 | Confident | 81.2 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.3 | -40.9 | -178.7 | 51.4 | 0 | 0 | 0 | 0 | 112.8 | A703 S820 I823 R948 V949 F950 S956 | A703-T952 HydrophobicContact CB-CG2 3.78Å; S820-T952 WeakPolarHBondContact CB-O 3.44Å; S820-T952 PolarHBondContact OG-O 3.2Å; I823-T952 HydrophobicContact CB-CG2 4.37Å; I823-T952 HydrophobicContact CG2-CG2 3.8Å; R948-T952 WeakPolarHBondContact O-CB 3.23Å; R948-T952 VanDerWaalsContact O-CG2 3.32Å; R948-T952 WeakPolarHBondContact O-CG2 3.23Å; R948-T952 PolarHBondContact O-N 3.31Å; R948-T952 VanDerWaalsContact O-N 3.1Å; R948-T952 PolarHBondContact O-OG1 3.35Å; V949-T952 PolarHBondContact O-OG1 3.13Å; V949-T952 VanDerWaalsContact O-OG1 3.13Å; F950-T952 PolarHBondContact O-N 3.01Å; T952-S956 PolarHBondContact O-N 2.86Å; T952-S956 PolarHBondContact O-OG 3.33Å |
| 953 | I | 84.3 | Confident | 80.3 | Confident | 5 Ų | 5 | 28.1 Ų | 28.1 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -73 | -41.3 | 178.6 | -60.6 | 173.5 | 0 | 0 | 0 | 111.2 | A824 T832 V835 Y839 V949 M955 S956 A957 | A824-I953 HydrophobicContact CB-CD1 3.93Å; A824-I953 HydrophobicContact CB-CG1 3.83Å; T832-I953 HydrophobicContact CG2-CD1 4.01Å; V835-I953 HydrophobicContact CB-CD1 3.85Å; V835-I953 HydrophobicContact CB-CG2 4.3Å; V835-I953 HydrophobicContact CG1-CB 4.06Å; V835-I953 HydrophobicContact CG1-CD1 4.02Å; V835-I953 HydrophobicContact CG1-CG2 3.38Å; V835-I953 HydrophobicContact CG2-CD1 4.3Å; Y839-I953 HydrophobicContact CD2-CG2 4.02Å; Y839-I953 HydrophobicContact CE2-CG2 3.57Å; V949-I953 HydrophobicContact CG1-CD1 3.61Å; V949-I953 HydrophobicContact CG1-CG1 4.49Å; V949-I953 WeakPolarHBondContact O-CB 3.5Å; V949-I953 VanDerWaalsContact O-CG1 3.23Å; V949-I953 WeakPolarHBondContact O-CG1 3.34Å; V949-I953 PolarHBondContact O-N 3.29Å; V949-I953 VanDerWaalsContact O-N 3.14Å; I953-M955 PolarHBondContact O-N 3.36Å; I953-S956 WeakPolarHBondContact CA-OG 3.36Å; I953-S956 PolarHBondContact O-N 3.41Å; I953-S956 PolarHBondContact O-OG 2.9Å; I953-A957 WeakPolarHBondContact O-CB 3.42Å; I953-A957 PolarHBondContact O-N 3.14Å |
| 954 | N | 78.4 | Confident | 79.4 | Confident | 43 Ų | 43 | 27.7 Ų | 27.7 | 23% | 0.23 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.5 | -43.7 | 178.3 | -167 | -80.2 | 0 | 0 | 0 | 111.9 | F925 F950 S956 A957 Q958 | F925-N954 WeakPolarHBondContact CE1-ND2 3.49Å; F925-N954 WeakPolarHBondContact CZ-ND2 3.12Å; F950-N954 WeakPolarHBondContact O-CB 3.29Å; F950-N954 PolarHBondContact O-N 2.86Å; N954-S956 VanDerWaalsContact C-N 3.33Å; N954-S956 PolarHBondContact O-N 3.29Å; N954-A957 PolarHBondContact O-N 3.3Å; N954-Q958 WeakPolarHBondContact O-CG 3.32Å; N954-Q958 PolarHBondContact O-N 3.45Å; N954-Q958 PolarHBondContact OD1-NE2 3.15Å |
| 955 | M | 77.5 | Confident | 78.3 | Confident | 35 Ų | 35 | 29 Ų | 29 | 17% | 0.172 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.2 | -37.8 | 177.6 | -77.1 | -165.8 | -171 | 0 | 0 | 113 | Q699 F702 A703 A951 I953 | Q699-M955 HydrophobicContact CG-CB 4.16Å; Q699-M955 HydrophobicContact CG-CG 4.46Å; Q699-M955 HydrophobicContact CG-SD 3.78Å; Q699-M955 PolarHBondContact NE2-O 3.19Å; F702-M955 HydrophobicContact CD1-CE 3.89Å; F702-M955 HydrophobicContact CD1-SD 4.39Å; F702-M955 HydrophobicContact CE1-CE 3.97Å; A703-M955 HydrophobicContact CB-CE 4.49Å; A703-M955 HydrophobicContact CB-SD 3.93Å; A951-M955 VanDerWaalsContact O-CB 3.28Å; A951-M955 WeakPolarHBondContact O-CB 3.28Å; A951-M955 VanDerWaalsContact O-CG 3.23Å; A951-M955 WeakPolarHBondContact O-CG 3.33Å; A951-M955 PolarHBondContact O-N 3.08Å; I953-M955 PolarHBondContact O-N 3.36Å |
| 956 | S | 80.6 | Confident | 77.2 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.3 | -38.1 | 175.3 | 54.6 | 0 | 0 | 0 | 0 | 112.6 | Y839 T952 I953 N954 Q958 S959 L960 | Y839-S956 VanDerWaalsContact OH-CB 3.25Å; Y839-S956 WeakPolarHBondContact OH-CB 3.41Å; Y839-S956 PolarHBondContact OH-OG 2.91Å; T952-S956 PolarHBondContact O-N 2.86Å; T952-S956 PolarHBondContact O-OG 3.33Å; I953-S956 WeakPolarHBondContact CA-OG 3.36Å; I953-S956 PolarHBondContact O-N 3.41Å; I953-S956 PolarHBondContact O-OG 2.9Å; N954-S956 VanDerWaalsContact C-N 3.33Å; N954-S956 PolarHBondContact O-N 3.29Å; S956-Q958 VanDerWaalsContact C-N 3.32Å; S956-Q958 PolarHBondContact O-N 3.13Å; S956-S959 PolarHBondContact O-N 3.38Å; S956-S959 VanDerWaalsContact O-N 3.15Å; S956-L960 PolarHBondContact O-N 3.43Å; S956-L960 VanDerWaalsContact O-N 3.09Å |
| 957 | A | 75.5 | Confident | 76.1 | Confident | 14 Ų | 14 | 34.1 Ų | 34.1 | 12% | 0.116 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60 | -42.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y839 I953 N954 S959 L960 G961 | Y839-A957 HydrophobicContact CD2-CB 4.41Å; Y839-A957 HydrophobicContact CE2-CB 3.64Å; Y839-A957 WeakPolarHBondContact OH-CA 3.45Å; Y839-A957 PolarHBondContact OH-N 3.47Å; I953-A957 WeakPolarHBondContact O-CB 3.42Å; I953-A957 PolarHBondContact O-N 3.14Å; N954-A957 PolarHBondContact O-N 3.3Å; A957-S959 VanDerWaalsContact C-N 3.3Å; A957-S959 PolarHBondContact O-N 3.32Å; A957-L960 PolarHBondContact O-N 3.03Å; A957-G961 PolarHBondContact O-N 3.14Å |
| 958 | Q | 69.2 | Low | 75 | Confident | 109 Ų | 109 | 35.3 Ų | 35.3 | 51% | 0.509 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.7 | -35.7 | 177.9 | -67 | -179.1 | 21.4 | 0 | 0 | 112.7 | N954 S956 | N954-Q958 WeakPolarHBondContact O-CG 3.32Å; N954-Q958 PolarHBondContact O-N 3.45Å; N954-Q958 PolarHBondContact OD1-NE2 3.15Å; S956-Q958 VanDerWaalsContact C-N 3.32Å; S956-Q958 PolarHBondContact O-N 3.13Å |
| 959 | S | 71.8 | Confident | 73.9 | Confident | 20 Ų | 20 | 36.9 Ų | 36.9 | 14% | 0.14 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -73.6 | -38.8 | 179 | -168.8 | 0 | 0 | 0 | 0 | 112.2 | L816 S956 A957 G961 R962 S963 | L816-S959 VanDerWaalsContact CD2-OG 3.28Å; L816-S959 WeakPolarHBondContact CD2-OG 3.32Å; S956-S959 PolarHBondContact O-N 3.38Å; S956-S959 VanDerWaalsContact O-N 3.15Å; A957-S959 VanDerWaalsContact C-N 3.3Å; A957-S959 PolarHBondContact O-N 3.32Å; S959-G961 VanDerWaalsContact C-N 3.25Å; S959-G961 PolarHBondContact O-N 3.38Å; S959-R962 CarbonylContact O-C 3.48Å; S959-R962 WeakPolarHBondContact O-CA 3.49Å; S959-R962 WeakPolarHBondContact O-CB 3.28Å; S959-R962 PolarHBondContact O-N 3.47Å; S959-S963 PolarHBondContact O-N 2.99Å; S959-S963 PolarHBondContact O-OG 3.27Å; S959-S963 VanDerWaalsContact O-OG 3.11Å |
| 960 | L | 69.5 | Low | 72.9 | Confident | 40 Ų | 40 | 38.1 Ų | 38.1 | 21% | 0.209 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.6 | -35.7 | 178.3 | -174 | 51 | 0 | 0 | 0 | 112.4 | I817 Y839 V843 S956 A957 R962 S963 A964 | I817-L960 HydrophobicContact CD1-CB 4.35Å; I817-L960 HydrophobicContact CD1-CD1 3.87Å; I817-L960 HydrophobicContact CD1-CD2 4.4Å; I817-L960 HydrophobicContact CD1-CG 4.44Å; Y839-L960 HydrophobicContact CD1-CD2 4.19Å; Y839-L960 HydrophobicContact CE1-CD2 3.63Å; V843-L960 HydrophobicContact CB-CD2 4.41Å; V843-L960 HydrophobicContact CG1-CD2 4.29Å; V843-L960 HydrophobicContact CG1-CG 4.33Å; V843-L960 HydrophobicContact CG2-CD2 3.21Å; V843-L960 HydrophobicContact CG2-CG 3.77Å; S956-L960 PolarHBondContact O-N 3.43Å; S956-L960 VanDerWaalsContact O-N 3.09Å; A957-L960 PolarHBondContact O-N 3.03Å; L960-R962 VanDerWaalsContact C-N 3.29Å; L960-R962 PolarHBondContact O-N 3.43Å; L960-S963 PolarHBondContact O-N 3.02Å; L960-A964 PolarHBondContact O-N 2.95Å |
| 961 | G | 64.8 | Low | 72.3 | Confident | 30 Ų | 30 | 44.2 Ų | 44.2 | 31% | 0.309 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.3 | -38 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A957 S959 | A957-G961 PolarHBondContact O-N 3.14Å; S959-G961 VanDerWaalsContact C-N 3.25Å; S959-G961 PolarHBondContact O-N 3.38Å |
| 962 | R | 61 | Low | 71.5 | Confident | 176 Ų | 176 | 46.8 Ų | 46.8 | 66% | 0.664 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -72.6 | -37 | 174.1 | -62 | -177.9 | -178.2 | 177.6 | 1.3 | 112 | S959 L960 A964 T965 | S959-R962 CarbonylContact O-C 3.48Å; S959-R962 WeakPolarHBondContact O-CA 3.49Å; S959-R962 WeakPolarHBondContact O-CB 3.28Å; S959-R962 PolarHBondContact O-N 3.47Å; L960-R962 VanDerWaalsContact C-N 3.29Å; L960-R962 PolarHBondContact O-N 3.43Å; R962-A964 VanDerWaalsContact C-N 3.3Å; R962-A964 PolarHBondContact O-N 3.46Å; R962-T965 WeakPolarHBondContact O-CB 3.43Å; R962-T965 VanDerWaalsContact O-CG2 3.27Å; R962-T965 WeakPolarHBondContact O-CG2 3.49Å; R962-T965 PolarHBondContact O-N 3.45Å; R962-T965 PolarHBondContact O-OG1 3.36Å |
| 963 | S | 68.4 | Low | 71.1 | Confident | 18 Ų | 18 | 46.8 Ų | 46.8 | 13% | 0.126 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.6 | -31.8 | 178.6 | -50.5 | 0 | 0 | 0 | 0 | 113.1 | A813 S959 L960 T965 L966 V967 | A813-S963 WeakPolarHBondContact CB-OG 3.36Å; S959-S963 PolarHBondContact O-N 2.99Å; S959-S963 PolarHBondContact O-OG 3.27Å; S959-S963 VanDerWaalsContact O-OG 3.11Å; L960-S963 PolarHBondContact O-N 3.02Å; S963-T965 PolarHBondContact O-N 2.87Å; S963-L966 PolarHBondContact O-N 3.44Å; S963-L966 VanDerWaalsContact O-N 3.11Å; S963-V967 PolarHBondContact O-N 2.94Å |
| 964 | A | 66.9 | Low | 71 | Confident | 13 Ų | 13 | 52.1 Ų | 52.1 | 11% | 0.107 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57 | -33.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F847 L960 R962 V967 M968 | F847-A964 HydrophobicContact CD2-CB 4.36Å; L960-A964 PolarHBondContact O-N 2.95Å; R962-A964 VanDerWaalsContact C-N 3.3Å; R962-A964 PolarHBondContact O-N 3.46Å; A964-V967 PolarHBondContact O-N 3.27Å; A964-M968 PolarHBondContact O-N 3.03Å |
| 965 | T | 65.2 | Low | 71.2 | Confident | 34 Ų | 34 | 53.6 Ų | 53.6 | 21% | 0.209 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 177.1 | 75.7 | 0 | 0 | 0 | 0 | 111.6 | M850 R962 S963 V967 M968 D969 | M850-T965 HydrophobicContact CE-CG2 3.15Å; M850-T965 HydrophobicContact CG-CG2 3.84Å; M850-T965 HydrophobicContact SD-CG2 3.94Å; R962-T965 WeakPolarHBondContact O-CB 3.43Å; R962-T965 VanDerWaalsContact O-CG2 3.27Å; R962-T965 WeakPolarHBondContact O-CG2 3.49Å; R962-T965 PolarHBondContact O-N 3.45Å; R962-T965 PolarHBondContact O-OG1 3.36Å; S963-T965 PolarHBondContact O-N 2.87Å; T965-V967 VanDerWaalsContact C-N 3.32Å; T965-V967 PolarHBondContact O-N 2.62Å; T965-M968 WeakPolarHBondContact O-CB 3.44Å; T965-M968 PolarHBondContact O-N 3.3Å; T965-M968 VanDerWaalsContact O-N 3.13Å; T965-D969 PolarHBondContact O-N 3.33Å; T965-D969 VanDerWaalsContact O-N 3.16Å |
| 966 | L | 68 | Low | 71.5 | Confident | 24 Ų | 24 | 52.1 Ų | 52.1 | 13% | 0.126 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.8 | -34.8 | -177.3 | -61.1 | 171.5 | 0 | 0 | 0 | 111.5 | Q806 F809 S963 M968 D969 A970 | Q806-L966 HydrophobicContact CG-CD2 4.43Å; F809-L966 HydrophobicContact CB-CD1 3.49Å; F809-L966 VanDerWaalsContact CB-CD1 3.49Å; F809-L966 HydrophobicContact CG-CD1 4.33Å; S963-L966 PolarHBondContact O-N 3.44Å; S963-L966 VanDerWaalsContact O-N 3.11Å; L966-M968 VanDerWaalsContact C-N 3.29Å; L966-M968 PolarHBondContact O-N 3.05Å; L966-D969 PolarHBondContact O-N 3.47Å; L966-A970 WeakPolarHBondContact O-CB 3.23Å; L966-A970 PolarHBondContact O-N 2.82Å |
| 967 | V | 67.4 | Low | 71.8 | Confident | 90 Ų | 90 | 52.1 Ų | 52.1 | 55% | 0.545 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.8 | -37.2 | 175.2 | 176.5 | 0 | 0 | 0 | 0 | 111.1 | S963 A964 T965 K971 | S963-V967 PolarHBondContact O-N 2.94Å; A964-V967 PolarHBondContact O-N 3.27Å; T965-V967 VanDerWaalsContact C-N 3.32Å; T965-V967 PolarHBondContact O-N 2.62Å; V967-K971 PolarHBondContact O-N 2.69Å; V967-K971 VanDerWaalsContact O-N 3.1Å |
| 968 | M | 65.7 | Low | 72.3 | Confident | 26 Ų | 26 | 55.7 Ų | 55.7 | 13% | 0.128 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.3 | -39 | 176.7 | -66.9 | -157.6 | -60.3 | 0 | 0 | 112.3 | F847 M850 R851 A964 T965 L966 K971 | F847-M968 HydrophobicContact CE2-CG 4.02Å; F847-M968 HydrophobicContact CE2-SD 4.25Å; M850-M968 HydrophobicContact CB-CE 3.74Å; M850-M968 HydrophobicContact CG-CE 3.22Å; R851-M968 HydrophobicContact CB-SD 4.37Å; A964-M968 PolarHBondContact O-N 3.03Å; T965-M968 WeakPolarHBondContact O-CB 3.44Å; T965-M968 PolarHBondContact O-N 3.3Å; T965-M968 VanDerWaalsContact O-N 3.13Å; L966-M968 VanDerWaalsContact C-N 3.29Å; L966-M968 PolarHBondContact O-N 3.05Å; M968-K971 WeakPolarHBondContact O-CB 3.28Å; M968-K971 PolarHBondContact O-N 3.03Å |
| 969 | D | 67.5 | Low | 73.1 | Confident | 61 Ų | 61 | 53.3 Ų | 53.3 | 33% | 0.326 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.3 | -42.4 | 174.9 | -71.8 | -8.8 | 0 | 0 | 0 | 111.5 | M801 T965 L966 K971 E972 S973 | M801-D969 HydrophobicContact CE-CB 4.05Å; T965-D969 PolarHBondContact O-N 3.33Å; T965-D969 VanDerWaalsContact O-N 3.16Å; L966-D969 PolarHBondContact O-N 3.47Å; D969-K971 PolarHBondContact O-N 3.04Å; D969-E972 WeakPolarHBondContact O-CB 3.39Å; D969-E972 PolarHBondContact O-N 3.14Å; D969-S973 PolarHBondContact O-N 2.9Å |
| 970 | A | 69.7 | Low | 73.9 | Confident | 27 Ų | 27 | 52.6 Ų | 52.6 | 22% | 0.223 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.7 | -22 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | L966 E972 S973 | L966-A970 WeakPolarHBondContact O-CB 3.23Å; L966-A970 PolarHBondContact O-N 2.82Å; A970-E972 VanDerWaalsContact C-N 3.32Å; A970-S973 PolarHBondContact O-OG 2.98Å |
| 971 | K | 73.2 | Confident | 74.8 | Confident | 157 Ų | 157 | 51.2 Ų | 51.2 | 68% | 0.683 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -70.6 | -30.5 | 172 | -167.3 | 177.3 | 177.9 | 178.9 | 0 | 111.7 | V967 M968 D969 P975 | V967-K971 PolarHBondContact O-N 2.69Å; V967-K971 VanDerWaalsContact O-N 3.1Å; M968-K971 WeakPolarHBondContact O-CB 3.28Å; M968-K971 PolarHBondContact O-N 3.03Å; D969-K971 PolarHBondContact O-N 3.04Å; K971-P975 VanDerWaalsContact O-CD 3.31Å; K971-P975 WeakPolarHBondContact O-CD 3.03Å |
| 972 | E | 70 | Confident | 75.9 | Confident | 60 Ų | 60 | 52 Ų | 52 | 28% | 0.28 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -73.7 | -24.9 | 176.7 | -63.7 | -161.3 | -178.4 | 0 | 0 | 113.8 | K798 K856 D969 A970 K974 P975 | K798-E972 HydrophobicContact CD-CB 4.5Å; K798-E972 IonicContact NZ-OE2 3.86Å; K798-E972 PolarHBondContact NZ-OE2 2.87Å; K856-E972 WeakPolarHBondContact CE-OE1 3.35Å; K856-E972 IonicContact NZ-OE1 3.7Å; K856-E972 PolarHBondContact NZ-OE1 2.93Å; D969-E972 WeakPolarHBondContact O-CB 3.39Å; D969-E972 PolarHBondContact O-N 3.14Å; A970-E972 VanDerWaalsContact C-N 3.32Å; E972-K974 VanDerWaalsContact C-N 3.34Å; E972-P975 VanDerWaalsContact O-CD 3.3Å; E972-P975 WeakPolarHBondContact O-CD 3.46Å; E972-P975 WeakPolarHBondContact O-CG 3.14Å |
| 973 | S | 79.1 | Confident | 77.3 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.007 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -75.6 | -23.5 | 179.4 | 67.1 | 0 | 0 | 0 | 0 | 112.9 | K798 I802 D969 A970 A976 A977 | K798-S973 WeakPolarHBondContact O-CB 3.23Å; I802-S973 WeakPolarHBondContact CG1-OG 3.27Å; D969-S973 PolarHBondContact O-N 2.9Å; A970-S973 PolarHBondContact O-OG 2.98Å; S973-A976 PolarHBondContact O-N 3.48Å; S973-A977 VanDerWaalsContact O-CB 3.25Å; S973-A977 WeakPolarHBondContact O-CB 3.44Å; S973-A977 PolarHBondContact O-N 3.14Å |
| 974 | K | 81.1 | Confident | 78.3 | Confident | 116 Ų | 116 | 45.4 Ų | 45.4 | 50% | 0.504 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.5 | -52.4 | 177.6 | -69.9 | -175.8 | 179.9 | -178.8 | 0 | 114.2 | T671 E972 A977 K978 | T671-K974 HydrophobicContact CG2-CG 4.14Å; E972-K974 VanDerWaalsContact C-N 3.34Å; K974-A977 PolarHBondContact O-N 2.85Å; K974-K978 PolarHBondContact O-N 2.54Å |
| 975 | P | 83.2 | Confident | 79.4 | Confident | 74 Ų | 74 | 48.3 Ų | 48.3 | 48% | 0.481 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 176.7 | 23.9 | -33.5 | 0 | 0 | 0 | 112.2 | K971 E972 A977 K978 N979 | K971-P975 VanDerWaalsContact O-CD 3.31Å; K971-P975 WeakPolarHBondContact O-CD 3.03Å; E972-P975 VanDerWaalsContact O-CD 3.3Å; E972-P975 WeakPolarHBondContact O-CD 3.46Å; E972-P975 WeakPolarHBondContact O-CG 3.14Å; P975-A977 VanDerWaalsContact C-N 3.31Å; P975-A977 PolarHBondContact O-N 3.39Å; P975-K978 WeakPolarHBondContact O-CB 2.95Å; P975-K978 PolarHBondContact O-N 2.84Å; P975-K978 VanDerWaalsContact O-N 3.14Å; P975-N979 PolarHBondContact O-N 2.83Å |
| 976 | A | 84.8 | Confident | 80.5 | Confident | 5 Ų | 5 | 50.2 Ų | 50.2 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58 | -43.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E795 K798 M799 S973 K978 N979 I980 | E795-A976 HydrophobicContact CB-CB 3.89Å; E795-A976 HydrophobicContact CG-CB 4.04Å; K798-A976 HydrophobicContact CB-CB 4.18Å; M799-A976 HydrophobicContact SD-CB 4.27Å; S973-A976 PolarHBondContact O-N 3.48Å; A976-K978 VanDerWaalsContact C-N 3.35Å; A976-K978 PolarHBondContact O-N 3.07Å; A976-N979 PolarHBondContact O-N 3.05Å; A976-I980 WeakPolarHBondContact O-CB 3.35Å; A976-I980 WeakPolarHBondContact O-CG1 3.02Å; A976-I980 PolarHBondContact O-N 3.13Å |
| 977 | A | 86.3 | Confident | 81.4 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | P670 V674 M799 I802 S973 K974 P975 L981 | P670-A977 HydrophobicContact CB-CB 4.2Å; V674-A977 HydrophobicContact CG2-CB 4Å; M799-A977 VanDerWaalsContact CE-CA 3.49Å; M799-A977 HydrophobicContact CE-CB 3.39Å; M799-A977 WeakPolarHBondContact SD-CA 3.42Å; M799-A977 HydrophobicContact SD-CB 3.66Å; M799-A977 PolarHBondContact SD-N 3.02Å; M799-A977 VanDerWaalsContact SD-N 3.4Å; I802-A977 HydrophobicContact CD1-CB 4.14Å; S973-A977 VanDerWaalsContact O-CB 3.25Å; S973-A977 WeakPolarHBondContact O-CB 3.44Å; S973-A977 PolarHBondContact O-N 3.14Å; K974-A977 PolarHBondContact O-N 2.85Å; P975-A977 VanDerWaalsContact C-N 3.31Å; P975-A977 PolarHBondContact O-N 3.39Å; A977-L981 VanDerWaalsContact O-CB 3.26Å; A977-L981 WeakPolarHBondContact O-CB 3.21Å; A977-L981 WeakPolarHBondContact O-CG 3.36Å; A977-L981 PolarHBondContact O-N 3.49Å |
| 978 | K | 86.3 | Confident | 82.4 | Confident | 88 Ų | 88 | 54.2 Ų | 54.2 | 38% | 0.383 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.7 | -45 | 177.2 | -169.6 | -178.9 | -177.5 | -176.2 | 0 | 111.3 | L663 K974 P975 A976 A982 | L663-K978 HydrophobicContact CD2-CD 4.44Å; L663-K978 WeakPolarHBondContact O-CE 3.37Å; L663-K978 PolarHBondContact O-NZ 3.11Å; K974-K978 PolarHBondContact O-N 2.54Å; P975-K978 WeakPolarHBondContact O-CB 2.95Å; P975-K978 PolarHBondContact O-N 2.84Å; P975-K978 VanDerWaalsContact O-N 3.14Å; A976-K978 VanDerWaalsContact C-N 3.35Å; A976-K978 PolarHBondContact O-N 3.07Å; K978-A982 VanDerWaalsContact O-CB 3.22Å; K978-A982 WeakPolarHBondContact O-CB 3.3Å; K978-A982 PolarHBondContact O-N 3.5Å |
| 979 | N | 85.9 | Confident | 83.4 | Confident | 60 Ų | 60 | 59.2 Ų | 59.2 | 32% | 0.321 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.7 | -41.7 | -179.2 | -71.2 | -6.8 | 0 | 0 | 0 | 112.6 | E795 P975 A976 L983 | E795-N979 PolarHBondContact OE1-ND2 3.14Å; E795-N979 VanDerWaalsContact OE2-CB 3.32Å; E795-N979 WeakPolarHBondContact OE2-CB 3.39Å; P975-N979 PolarHBondContact O-N 2.83Å; A976-N979 PolarHBondContact O-N 3.05Å; N979-L983 PolarHBondContact O-N 2.97Å |
| 980 | I | 87.8 | Confident | 84.3 | Confident | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.6 | -48 | 176.2 | -76.3 | 170.6 | 0 | 0 | 0 | 110.6 | I762 V766 E795 M799 A976 A982 L983 L984 | I762-I980 HydrophobicContact CG2-CD1 4.08Å; I762-I980 HydrophobicContact CG2-CG2 4.19Å; V766-I980 HydrophobicContact CG2-CB 4.49Å; V766-I980 HydrophobicContact CG2-CG1 4.34Å; V766-I980 HydrophobicContact CG2-CG2 3.65Å; E795-I980 HydrophobicContact CB-CD1 3.89Å; E795-I980 HydrophobicContact CB-CG1 4.36Å; M799-I980 HydrophobicContact CG-CD1 3.5Å; M799-I980 HydrophobicContact SD-CD1 3.98Å; A976-I980 WeakPolarHBondContact O-CB 3.35Å; A976-I980 WeakPolarHBondContact O-CG1 3.02Å; A976-I980 PolarHBondContact O-N 3.13Å; I980-A982 VanDerWaalsContact C-N 3.35Å; I980-A982 PolarHBondContact O-N 2.86Å; I980-L983 PolarHBondContact O-N 2.74Å; I980-L984 HydrophobicContact CG2-CD1 3.87Å; I980-L984 HydrophobicContact CG2-CG 4.33Å; I980-L984 WeakPolarHBondContact O-CG 3.4Å; I980-L984 PolarHBondContact O-N 3.48Å |
| 981 | L | 88.6 | Confident | 85.2 | Confident | 12 Ų | 12 | 58.1 Ų | 58.1 | 6% | 0.063 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.3 | -40.1 | 179.5 | -70.8 | 172.5 | 0 | 0 | 0 | 111.8 | P670 R673 V674 A977 L983 L984 D985 | P670-L981 HydrophobicContact CB-CD1 3.82Å; R673-L981 HydrophobicContact CB-CD1 4.07Å; R673-L981 HydrophobicContact CB-CD2 4.49Å; R673-L981 HydrophobicContact CG-CD1 4.31Å; R673-L981 HydrophobicContact CG-CD2 3.9Å; V674-L981 HydrophobicContact CG2-CD1 4.13Å; V674-L981 HydrophobicContact CG2-CG 4.42Å; A977-L981 VanDerWaalsContact O-CB 3.26Å; A977-L981 WeakPolarHBondContact O-CB 3.21Å; A977-L981 WeakPolarHBondContact O-CG 3.36Å; A977-L981 PolarHBondContact O-N 3.49Å; L981-L983 VanDerWaalsContact C-N 3.26Å; L981-L983 PolarHBondContact O-N 3.1Å; L981-L984 PolarHBondContact O-N 3.46Å; L981-D985 VanDerWaalsContact O-CB 3.3Å; L981-D985 WeakPolarHBondContact O-CB 3.42Å; L981-D985 PolarHBondContact O-N 3.04Å |
| 982 | A | 88.4 | Confident | 85.7 | Confident | 45 Ų | 45 | 52.5 Ų | 52.5 | 37% | 0.372 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.2 | -37 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K978 I980 R986 | K978-A982 VanDerWaalsContact O-CB 3.22Å; K978-A982 WeakPolarHBondContact O-CB 3.3Å; K978-A982 PolarHBondContact O-N 3.5Å; I980-A982 VanDerWaalsContact C-N 3.35Å; I980-A982 PolarHBondContact O-N 2.86Å; A982-R986 PolarHBondContact O-N 3.36Å; A982-R986 VanDerWaalsContact O-N 3.17Å |
| 983 | L | 89.8 | Confident | 86.2 | Confident | 8 Ų | 8 | 55.6 Ų | 55.6 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -72.9 | -41.7 | 175.8 | 179.7 | 58.8 | 0 | 0 | 0 | 112.3 | V766 M770 W777 N979 I980 L981 D985 R986 | V766-L983 HydrophobicContact CG1-CD2 3.87Å; M770-L983 HydrophobicContact CE-CD2 3.63Å; M770-L983 HydrophobicContact CG-CD2 3.84Å; W777-L983 HydrophobicContact CH2-CD1 3.74Å; W777-L983 HydrophobicContact CH2-CD2 4.49Å; W777-L983 HydrophobicContact CZ2-CD1 3.46Å; W777-L983 VanDerWaalsContact CZ2-CD1 3.46Å; N979-L983 PolarHBondContact O-N 2.97Å; I980-L983 PolarHBondContact O-N 2.74Å; L981-L983 VanDerWaalsContact C-N 3.26Å; L981-L983 PolarHBondContact O-N 3.1Å; L983-D985 VanDerWaalsContact C-N 3.27Å; L983-D985 PolarHBondContact O-N 2.9Å; L983-R986 PolarHBondContact O-N 3.12Å |
| 984 | L | 89.6 | Confident | 86.5 | Confident | 48 Ų | 48 | 60.2 Ų | 60.2 | 25% | 0.251 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.3 | -31.7 | 176.2 | -68.8 | 175.3 | 0 | 0 | 0 | 112.5 | M765 V766 A769 I980 L981 | M765-L984 HydrophobicContact CB-CD2 3.85Å; M765-L984 WeakPolarHBondContact O-CD2 3.36Å; V766-L984 HydrophobicContact CG2-CD2 4.08Å; V766-L984 HydrophobicContact CG2-CG 4.29Å; A769-L984 HydrophobicContact CB-CD2 3.86Å; I980-L984 HydrophobicContact CG2-CD1 3.87Å; I980-L984 HydrophobicContact CG2-CG 4.33Å; I980-L984 WeakPolarHBondContact O-CG 3.4Å; I980-L984 PolarHBondContact O-N 3.48Å; L981-L984 PolarHBondContact O-N 3.46Å |
| 985 | D | 89.5 | Confident | 86.5 | Confident | 75 Ų | 75 | 56.6 Ų | 56.6 | 40% | 0.401 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -82.9 | -17.2 | 178.2 | -71.1 | -25.4 | 0 | 0 | 0 | 113.7 | R673 L981 L983 Q987 | R673-D985 IonicContact CZ-OD1 3.59Å; R673-D985 IonicContact CZ-OD2 2.75Å; R673-D985 IonicContact NH1-OD1 3.74Å; R673-D985 PolarHBondContact NH1-OD1 2.78Å; R673-D985 IonicContact NH1-OD2 2.63Å; R673-D985 PolarHBondContact NH1-OD2 3.18Å; R673-D985 IonicContact NH2-OD1 3.64Å; R673-D985 PolarHBondContact NH2-OD1 3.02Å; R673-D985 IonicContact NH2-OD2 2.88Å; L981-D985 VanDerWaalsContact O-CB 3.3Å; L981-D985 WeakPolarHBondContact O-CB 3.42Å; L981-D985 PolarHBondContact O-N 3.04Å; L983-D985 VanDerWaalsContact C-N 3.27Å; L983-D985 PolarHBondContact O-N 2.9Å; D985-Q987 PolarHBondContact O-N 3.02Å |
| 986 | R | 89.5 | Confident | 86.7 | Confident | 73 Ų | 73 | 57.7 Ų | 57.7 | 28% | 0.275 | 32% | 0.317 | S | S | . | . | trans | -69.7 | 113.6 | -179.1 | -172.2 | -174.6 | -170.4 | -88.5 | 4.3 | 109.4 | Q773 E774 W777 A982 L983 | Q773-R986 PolarHBondContact NE2-O 3.19Å; E774-R986 IonicContact OE1-CZ 2.85Å; E774-R986 IonicContact OE1-NH1 2.93Å; E774-R986 PolarHBondContact OE1-NH1 3.08Å; E774-R986 IonicContact OE1-NH2 3.26Å; E774-R986 PolarHBondContact OE1-NH2 2.89Å; E774-R986 IonicContact OE2-NH1 2.72Å; E774-R986 PolarHBondContact OE2-NH1 2.96Å; W777-R986 VanDerWaalsContact CD1-NE 3.33Å; A982-R986 PolarHBondContact O-N 3.36Å; A982-R986 VanDerWaalsContact O-N 3.17Å; L983-R986 PolarHBondContact O-N 3.12Å | ||
| 987 | Q | 86.1 | Confident | 86.8 | Confident | 176 Ų | 176 | 61.9 Ų | 61.9 | 82% | 0.822 | 34% | 0.342 | S | S | * | . | trans | -79.2 | 135.2 | 168 | -64.3 | -175.8 | -4.1 | 0 | 0 | 109.5 | D985 | D985-Q987 PolarHBondContact O-N 3.02Š| ||
| 988 | S | 88.1 | Confident | 86.8 | Confident | 23 Ų | 23 | 63 Ų | 63 | 16% | 0.161 | 35% | 0.349 | C | S | . | . | trans | -64.5 | 141.4 | 174.8 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | R772 E774 I990 | R772-S988 WeakPolarHBondContact O-CB 3.43Å; R772-S988 PolarHBondContact O-OG 3.49Å; E774-S988 PolarHBondContact N-OG 3.29Å; E774-S988 WeakPolarHBondContact OE2-CA 3.48Å; E774-S988 PolarHBondContact OE2-OG 2.6Å; E774-S988 VanDerWaalsContact OE2-OG 3.13Å; S988-I990 PolarHBondContact O-N 3.1Å; S988-I990 PolarHBondContact OG-N 2.69Å; S988-I990 PolarHBondContact OG-O 2.94Å | ||
| 989 | L | 86.2 | Confident | 86.5 | Confident | 131 Ų | 131 | 64.9 Ų | 64.9 | 69% | 0.686 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -70.4 | -24.9 | 174.8 | -65.3 | 173.1 | 0 | 0 | 0 | 111.8 | E774 P991 | E774-L989 HydrophobicContact CG-CB 4.36Å; E774-L989 PolarHBondContact OE2-N 3.39Å; L989-P991 WeakPolarHBondContact O-CD 3.4Å |
| 990 | I | 87.8 | Confident | 86.3 | Confident | 11 Ų | 11 | 68.9 Ų | 68.9 | 6% | 0.056 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -125.2 | 79 | 179.5 | -52.5 | 177.9 | 0 | 0 | 0 | 108.6 | E774 S988 V992 R1056 P1081 | E774-I990 HydrophobicContact CB-CB 4.19Å; E774-I990 HydrophobicContact CB-CD1 4.37Å; E774-I990 HydrophobicContact CB-CG1 4.28Å; S988-I990 PolarHBondContact O-N 3.1Å; S988-I990 PolarHBondContact OG-N 2.69Å; S988-I990 PolarHBondContact OG-O 2.94Å; I990-V992 PolarHBondContact O-N 2.94Å; I990-R1056 HydrophobicContact CG2-CG 4.37Å; I990-P1081 HydrophobicContact CG2-CG 3.77Å |
| 991 | P | 87.4 | Confident | 86.1 | Confident | 53 Ų | 53 | 72.8 Ų | 72.8 | 34% | 0.344 | 42% | 0.422 | S | S | . | . | trans | -64.1 | 130.4 | 178.8 | 23.9 | -33.6 | 0 | 0 | 0 | 112.4 | L989 N993 V994 P1081 | L989-P991 WeakPolarHBondContact O-CD 3.4Å; P991-N993 PolarHBondContact O-N 3.46Å; P991-V994 HydrophobicContact CB-CB 4.07Å; P991-V994 HydrophobicContact CB-CG2 3.74Å; P991-V994 HydrophobicContact CG-CB 3.77Å; P991-V994 HydrophobicContact CG-CG1 4.43Å; P991-V994 HydrophobicContact CG-CG2 3.88Å; P991-P1081 WeakPolarHBondContact O-CD 3.4Å; P991-P1081 WeakPolarHBondContact O-CG 3.39Å | ||
| 992 | V | 83.4 | Confident | 86.1 | Confident | 39 Ų | 39 | 72.6 Ų | 72.6 | 24% | 0.236 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -36 | -167.7 | 179.5 | 0 | 0 | 0 | 0 | 114.9 | I990 P1081 S1082 | I990-V992 PolarHBondContact O-N 2.94Å; V992-P1081 VanDerWaalsContact O-CD 3.29Å; V992-P1081 WeakPolarHBondContact O-CD 3.29Å; V992-S1082 WeakPolarHBondContact O-CB 3.4Å; V992-S1082 PolarHBondContact O-N 3.32Å; V992-S1082 PolarHBondContact O-OG 2.85Å |
| 993 | N | 82.3 | Confident | 86.2 | Confident | 125 Ų | 125 | 77.3 Ų | 77.3 | 67% | 0.668 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115 | 13 | -173.3 | -68.8 | -30.2 | 0 | 0 | 0 | 114 | P991 S1082 | P991-N993 PolarHBondContact O-N 3.46Å; N993-S1082 WeakPolarHBondContact OD1-CB 3.1Å; N993-S1082 PolarHBondContact OD1-OG 3.41Å |
| 994 | V | 83.8 | Confident | 86.1 | Confident | 98 Ų | 98 | 76.9 Ų | 76.9 | 59% | 0.594 | 43% | 0.431 | S | S | * | . | trans | -100.2 | 123.3 | 178.9 | 179.2 | 0 | 0 | 0 | 0 | 108.8 | P991 | P991-V994 HydrophobicContact CB-CB 4.07Å; P991-V994 HydrophobicContact CB-CG2 3.74Å; P991-V994 HydrophobicContact CG-CB 3.77Å; P991-V994 HydrophobicContact CG-CG1 4.43Å; P991-V994 HydrophobicContact CG-CG2 3.88Å | ||
| 995 | G | 82.5 | Confident | 86.3 | Confident | 40 Ų | 40 | 76.9 Ų | 76.9 | 41% | 0.412 | 43% | 0.429 | S | S | . | . | S | Bend | trans | 140.7 | 175.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N1078 | G995-N1078 CarbonylContact C-O 3.56Å; G995-N1078 VanDerWaalsContact CA-O 3.27Å; G995-N1078 WeakPolarHBondContact CA-O 3.28Å |
| 996 | I | 86.8 | Confident | 86.5 | Confident | 98 Ų | 98 | 73.4 Ų | 73.4 | 50% | 0.503 | 41% | 0.41 | S | S | . | . | B | Isolated β-bridge | trans | -69.9 | 138.6 | 175.3 | -57.6 | 167.2 | 0 | 0 | 0 | 108.4 | P998 N1078 I1079 A1080 | I996-P998 WeakPolarHBondContact O-CD 3.49Å; I996-N1078 HydrophobicContact CD1-CB 4.38Å; I996-N1078 PolarHBondContact N-O 3.34Å; I996-I1079 CarbonylContact O-C 3.6Å; I996-I1079 VanDerWaalsContact O-CA 3.28Å; I996-I1079 WeakPolarHBondContact O-CA 3.36Å; I996-I1079 WeakPolarHBondContact O-CG2 3.27Å; I996-A1080 PolarHBondContact O-N 3.16Å |
| 997 | V | 87.3 | Confident | 86.7 | Confident | 93 Ų | 93 | 70 Ų | 70 | 56% | 0.564 | 40% | 0.398 | S | S | * | . | trans | -109.6 | 99 | 168.2 | -179 | 0 | 0 | 0 | 0 | 106.2 | S999 A1080 W1083 | V997-S999 PolarHBondContact O-N 3.28Å; V997-A1080 HydrophobicContact CG2-CB 4.04Å; V997-W1083 HydrophobicContact CG1-CB 4.38Å; V997-W1083 HydrophobicContact CG1-CG 4.11Å | ||
| 998 | P | 85 | Confident | 87.1 | Confident | 23 Ų | 23 | 61.8 Ų | 61.8 | 15% | 0.149 | 36% | 0.36 | C | S | . | . | trans | -56.2 | 135.1 | -178.8 | -25.3 | 34.2 | 0 | 0 | 0 | 111.5 | I996 I1074 W1083 | I996-P998 WeakPolarHBondContact O-CD 3.49Å; P998-I1074 HydrophobicContact CG-CD1 4.28Å; P998-W1083 HydrophobicContact CB-CH2 4.14Å; P998-W1083 HydrophobicContact CB-CZ2 3.85Å; P998-W1083 HydrophobicContact CG-CD2 4.44Å; P998-W1083 HydrophobicContact CG-CE3 4.39Å; P998-W1083 HydrophobicContact CG-CH2 3.83Å; P998-W1083 HydrophobicContact CG-CZ2 3.9Å; P998-W1083 HydrophobicContact CG-CZ3 4.09Å | ||
| 999 | S | 80.5 | Confident | 87.2 | Confident | 128 Ų | 128 | 63.8 Ų | 63.8 | 90% | 0.895 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -79.4 | -26.3 | 175 | 51.8 | 0 | 0 | 0 | 0 | 112.6 | V997 | V997-S999 PolarHBondContact O-N 3.28Š|
| 1000 | E | 81.8 | Confident | 87.5 | Confident | 144 Ų | 144 | 62.2 Ų | 62.2 | 67% | 0.673 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -76.1 | 143.8 | 175.5 | -64.2 | -172.6 | -173.5 | 0 | 0 | 110.8 | F1002 | E1000-F1002 PolarHBondContact O-N 3.49Š|
| 1001 | A | 84 | Confident | 87.6 | Confident | 85 Ų | 85 | 61.7 Ų | 61.7 | 70% | 0.702 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 134.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | K1003 | A1001-K1003 PolarHBondContact O-N 3.27Š|
| 1002 | F | 88.9 | Confident | 87.8 | Confident | 9 Ų | 9 | 61.7 Ų | 61.7 | 4% | 0.039 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 121.2 | 175.5 | -178.2 | -128.8 | 0 | 0 | 0 | 109.3 | E1000 V1006 F1071 D1072 W1083 Q1087 V1170 L1171 | E1000-F1002 PolarHBondContact O-N 3.49Å; F1002-V1006 HydrophobicContact CZ-CG2 4.15Å; F1002-F1071 HydrophobicContact CD2-CB 4.22Å; F1002-F1071 HydrophobicContact CD2-CD2 4.22Å; F1002-F1071 HydrophobicContact CE1-CD2 4.11Å; F1002-F1071 HydrophobicContact CE1-CE2 4.2Å; F1002-F1071 HydrophobicContact CE2-CB 3.59Å; F1002-F1071 AromaticContact CE2-CD2 3.67Å; F1002-F1071 HydrophobicContact CE2-CD2 3.67Å; F1002-F1071 HydrophobicContact CE2-CE2 4.5Å; F1002-F1071 AromaticContact CE2-CG 3.72Å; F1002-F1071 HydrophobicContact CE2-CG 3.72Å; F1002-F1071 HydrophobicContact CZ-CB 4.23Å; F1002-F1071 HydrophobicContact CZ-CD1 4.43Å; F1002-F1071 AromaticContact CZ-CD2 3.59Å; F1002-F1071 HydrophobicContact CZ-CD2 3.59Å; F1002-F1071 AromaticContact CZ-CE2 3.99Å; F1002-F1071 HydrophobicContact CZ-CE2 3.99Å; F1002-F1071 AromaticContact CZ-CG 3.84Å; F1002-F1071 HydrophobicContact CZ-CG 3.84Å; F1002-D1072 WeakPolarHBondContact CA-OD2 3.47Å; F1002-D1072 HydrophobicContact CD2-CB 4.49Å; F1002-D1072 WeakPolarHBondContact CD2-OD2 3.34Å; F1002-W1083 HydrophobicContact CB-CH2 3.87Å; F1002-W1083 HydrophobicContact CB-CZ2 4.27Å; F1002-W1083 HydrophobicContact CD2-CH2 4.43Å; F1002-W1083 HydrophobicContact CG-CH2 4.36Å; F1002-Q1087 HydrophobicContact CB-CG 4.14Å; F1002-Q1087 HydrophobicContact CD1-CB 3.9Å; F1002-Q1087 HydrophobicContact CD1-CG 4.29Å; F1002-Q1087 HydrophobicContact CG-CG 4.48Å; F1002-V1170 HydrophobicContact CD1-CB 3.99Å; F1002-V1170 HydrophobicContact CD1-CG1 3.99Å; F1002-V1170 HydrophobicContact CE1-CG1 4.44Å; F1002-V1170 WeakPolarHBondContact O-CG1 3.3Å; F1002-L1171 HydrophobicContact CE1-CB 4.02Å |
| 1003 | K | 88.8 | Confident | 88.1 | Confident | 143 Ų | 143 | 60.2 Ų | 60.2 | 62% | 0.622 | 33% | 0.333 | S | S | * | . | trans | -79.1 | -24.4 | -179 | -63.2 | 176.6 | -176.3 | 168.7 | 0 | 111.6 | A1001 P1033 D1072 | A1001-K1003 PolarHBondContact O-N 3.27Å; K1003-P1033 HydrophobicContact CB-CG 4.48Å; K1003-P1033 WeakPolarHBondContact O-CB 3.19Å; K1003-D1072 PolarHBondContact N-OD2 3.48Å | ||
| 1004 | G | 88.8 | Confident | 88.4 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | trans | 111.6 | 1.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | V1006 T1201 | G1004-V1006 PolarHBondContact O-N 3.42Å; G1004-T1201 WeakPolarHBondContact O-CG2 3.46Å; G1004-T1201 PolarHBondContact O-OG1 2.88Å | ||
| 1005 | K | 93.5 | Very high | 88.4 | Confident | 47 Ų | 47 | 54.8 Ų | 54.8 | 20% | 0.204 | 30% | 0.295 | C | S | . | . | trans | -75.6 | 122.9 | -177.8 | -171.3 | -173.1 | 179.3 | -162.2 | 0 | 110.5 | T1030 V1031 P1033 F1071 D1072 D1073 | K1005-T1030 HydrophobicContact CG-CG2 4.39Å; K1005-V1031 WeakPolarHBondContact CA-O 3.12Å; K1005-P1033 HydrophobicContact CB-CG 4.07Å; K1005-F1071 WeakPolarHBondContact O-CA 3.49Å; K1005-D1072 VanDerWaalsContact CB-OD1 3.29Å; K1005-D1072 WeakPolarHBondContact CB-OD1 3.24Å; K1005-D1072 PolarHBondContact N-OD1 2.99Å; K1005-D1072 PolarHBondContact O-N 3.37Å; K1005-D1073 IonicContact NZ-OD1 3.13Å; K1005-D1073 PolarHBondContact NZ-OD1 2.84Å; K1005-D1073 IonicContact NZ-OD2 3.2Å; K1005-D1073 PolarHBondContact NZ-OD2 3.41Å; K1005-D1073 VanDerWaalsContact NZ-OD2 3.16Å | ||
| 1006 | V | 93.9 | Very high | 88.1 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.012 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 114.5 | 177.9 | -177.1 | 0 | 0 | 0 | 0 | 110 | F1002 G1004 F1008 T1030 V1031 V1054 V1069 F1070 F1071 L1171 | F1002-V1006 HydrophobicContact CZ-CG2 4.15Å; G1004-V1006 PolarHBondContact O-N 3.42Å; V1006-F1008 HydrophobicContact CG1-CE2 3.91Å; V1006-F1008 HydrophobicContact CG1-CZ 4.14Å; V1006-T1030 WeakPolarHBondContact O-CA 2.88Å; V1006-V1031 HydrophobicContact CB-CB 4.22Å; V1006-V1031 HydrophobicContact CB-CG2 4.49Å; V1006-V1031 PolarHBondContact N-O 3.25Å; V1006-V1031 PolarHBondContact O-N 3.45Å; V1006-V1054 HydrophobicContact CG1-CG2 4.26Å; V1006-V1069 HydrophobicContact CG1-CG1 4.19Å; V1006-F1070 WeakPolarHBondContact CA-O 3.29Å; V1006-F1071 HydrophobicContact CG1-CD1 4.34Å; V1006-F1071 HydrophobicContact CG1-CE1 4.02Å; V1006-F1071 HydrophobicContact CG2-CD1 4.21Å; V1006-F1071 HydrophobicContact CG2-CE1 3.96Å; V1006-L1171 HydrophobicContact CG2-CD1 4.24Å; V1006-L1171 HydrophobicContact CG2-CD2 3.68Å |
| 1007 | S | 93.7 | Very high | 87.4 | Confident | 3 Ų | 3 | 54.7 Ų | 54.7 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 122 | 178.3 | -64.6 | 0 | 0 | 0 | 0 | 111.8 | T1030 V1069 F1070 | S1007-T1030 WeakPolarHBondContact OG-CG2 3.3Å; S1007-T1030 PolarHBondContact OG-OG1 3.5Å; S1007-V1069 CarbonylContact O-C 3.21Å; S1007-V1069 WeakPolarHBondContact O-CA 3.14Å; S1007-F1070 PolarHBondContact N-O 2.84Å; S1007-F1070 PolarHBondContact O-N 3.47Å |
| 1008 | F | 93.7 | Very high | 86.7 | Confident | 3 Ų | 3 | 59 Ų | 59 | 1% | 0.013 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 120.5 | 166.4 | -56.8 | -92.2 | 0 | 0 | 0 | 108.5 | V1006 V1011 F1027 S1028 H1029 L1050 V1054 V1069 L1203 | V1006-F1008 HydrophobicContact CG1-CE2 3.91Å; V1006-F1008 HydrophobicContact CG1-CZ 4.14Å; F1008-V1011 HydrophobicContact CB-CG2 4Å; F1008-V1011 HydrophobicContact CD1-CG2 4.29Å; F1008-F1027 HydrophobicContact CB-CD1 3.86Å; F1008-F1027 HydrophobicContact CB-CE1 3.91Å; F1008-F1027 HydrophobicContact CD1-CD1 4.44Å; F1008-F1027 HydrophobicContact CD1-CE1 4.39Å; F1008-F1027 HydrophobicContact CD2-CE1 4.05Å; F1008-F1027 HydrophobicContact CG-CD1 4.13Å; F1008-F1027 AromaticContact CG-CE1 3.87Å; F1008-F1027 HydrophobicContact CG-CE1 3.87Å; F1008-S1028 CarbonylContact O-C 3.59Å; F1008-S1028 WeakPolarHBondContact O-CA 3.49Å; F1008-H1029 WeakPolarHBondContact CA-O 3.25Å; F1008-H1029 WeakPolarHBondContact CB-O 3.27Å; F1008-H1029 WeakPolarHBondContact CD2-O 3.39Å; F1008-H1029 PolarHBondContact N-O 2.84Å; F1008-H1029 PolarHBondContact O-N 3.49Å; F1008-L1050 HydrophobicContact CD1-CD2 3.85Å; F1008-L1050 HydrophobicContact CE1-CB 4.28Å; F1008-L1050 HydrophobicContact CE1-CD2 3.81Å; F1008-L1050 HydrophobicContact CZ-CB 4.44Å; F1008-V1054 HydrophobicContact CE1-CG2 3.72Å; F1008-V1054 HydrophobicContact CZ-CG2 3.41Å; F1008-V1054 VanDerWaalsContact CZ-CG2 3.41Å; F1008-V1069 HydrophobicContact CD1-CG1 4.25Å; F1008-V1069 HydrophobicContact CD1-CG2 3.72Å; F1008-V1069 HydrophobicContact CE1-CG1 4.14Å; F1008-V1069 HydrophobicContact CE1-CG2 3.96Å; F1008-L1203 HydrophobicContact CE2-CD2 4.49Å; F1008-L1203 HydrophobicContact CZ-CD2 4.17Å |
| 1009 | Q | 92 | Very high | 85.5 | Confident | 65 Ų | 65 | 60 Ų | 60 | 30% | 0.304 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 118.4 | 178.7 | -59.9 | 180 | -4 | 0 | 0 | 109.3 | V1011 S1067 G1068 F1070 | Q1009-V1011 VanDerWaalsContact C-N 3.3Å; Q1009-V1011 PolarHBondContact O-N 3.37Å; Q1009-S1067 WeakPolarHBondContact O-CA 3.46Å; Q1009-G1068 PolarHBondContact N-O 2.97Å; Q1009-G1068 PolarHBondContact O-N 2.59Å; Q1009-F1070 HydrophobicContact CB-CD2 4.37Å; Q1009-F1070 HydrophobicContact CB-CE2 3.98Å; Q1009-F1070 HydrophobicContact CG-CD2 4.13Å; Q1009-F1070 HydrophobicContact CG-CE2 4.11Å |
| 1010 | R | 90.5 | Very high | 84.4 | Confident | 97 Ų | 97 | 61 Ų | 61 | 37% | 0.366 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 44.3 | 50.9 | 177.3 | -59.6 | -175.2 | -65.9 | 175.7 | -7.1 | 113.6 | Y1012 N1026 F1027 S1028 D1066 | R1010-Y1012 HydrophobicContact CB-CE2 4.43Å; R1010-Y1012 WeakPolarHBondContact O-CD2 3.48Å; R1010-Y1012 PolarHBondContact O-N 3.27Å; R1010-N1026 WeakPolarHBondContact CA-OD1 3.12Å; R1010-N1026 WeakPolarHBondContact CB-OD1 3.25Å; R1010-N1026 WeakPolarHBondContact CG-OD1 3.43Å; R1010-F1027 PolarHBondContact N-O 3.01Å; R1010-S1028 PolarHBondContact N-OG 3.5Å; R1010-D1066 PolarHBondContact NE-O 3.4Å; R1010-D1066 PolarHBondContact NH2-O 3.31Å; R1010-D1066 IonicContact NH2-OD2 3.55Å; R1010-D1066 PolarHBondContact NH2-OD2 3.22Å |
| 1011 | V | 91.2 | Very high | 83.8 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 124.4 | -175.6 | -179.3 | 0 | 0 | 0 | 0 | 110.4 | F1008 Q1009 L1024 N1026 F1027 L1053 P1060 G1068 V1069 | F1008-V1011 HydrophobicContact CB-CG2 4Å; F1008-V1011 HydrophobicContact CD1-CG2 4.29Å; Q1009-V1011 VanDerWaalsContact C-N 3.3Å; Q1009-V1011 PolarHBondContact O-N 3.37Å; V1011-L1024 HydrophobicContact CG1-CD1 3.96Å; V1011-N1026 WeakPolarHBondContact O-CA 3.49Å; V1011-N1026 PolarHBondContact O-N 3.47Å; V1011-F1027 HydrophobicContact CB-CB 4.42Å; V1011-F1027 PolarHBondContact N-O 3.39Å; V1011-F1027 PolarHBondContact O-N 3.08Å; V1011-L1053 HydrophobicContact CG1-CD1 3.78Å; V1011-P1060 HydrophobicContact CG1-CB 3.96Å; V1011-G1068 WeakPolarHBondContact CG2-O 3.18Å; V1011-V1069 HydrophobicContact CG2-CG2 4.35Å |
| 1012 | Y | 90.9 | Very high | 83.7 | Confident | 52 Ų | 52 | 59.1 Ų | 59.1 | 20% | 0.204 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 139.1 | 169.1 | -62.1 | -97.4 | 0 | 0 | 0 | 108.6 | R1010 L1024 N1026 S1061 H1063 | R1010-Y1012 HydrophobicContact CB-CE2 4.43Å; R1010-Y1012 WeakPolarHBondContact O-CD2 3.48Å; R1010-Y1012 PolarHBondContact O-N 3.27Å; Y1012-L1024 WeakPolarHBondContact CA-O 3.44Å; Y1012-N1026 HydrophobicContact CE1-CB 3.78Å; Y1012-N1026 VanDerWaalsContact CE1-N 3.29Å; Y1012-N1026 HydrophobicContact CE2-CB 4.07Å; Y1012-N1026 VanDerWaalsContact CZ-CB 3.45Å; Y1012-N1026 VanDerWaalsContact OH-CB 3.29Å; Y1012-N1026 WeakPolarHBondContact OH-CB 3.38Å; Y1012-S1061 WeakPolarHBondContact O-CB 3.19Å; Y1012-S1061 PolarHBondContact O-N 3.3Å; Y1012-H1063 HydrophobicContact CD2-CB 4.19Å; Y1012-H1063 AromaticContact CD2-CD2 3.25Å; Y1012-H1063 WeakPolarHBondContact CD2-CD2 3.42Å; Y1012-H1063 AromaticContact CD2-CG 3.68Å; Y1012-H1063 AromaticContact CD2-NE2 3.72Å; Y1012-H1063 HydrophobicContact CE2-CB 4.34Å; Y1012-H1063 AromaticContact CG-CD2 3.59Å; Y1012-H1063 AromaticContact CG-NE2 3.61Å |
| 1013 | F | 90 | Very high | 83.5 | Confident | 8 Ų | 8 | 60.3 Ų | 60.3 | 4% | 0.035 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 147.5 | -179.3 | -178.4 | -100.6 | 0 | 0 | 0 | 113 | Y1015 V1023 L1024 T1049 L1053 Y1058 | F1013-Y1015 HydrophobicContact CD1-CE2 4.46Å; F1013-Y1015 AromaticContact CE1-CD1 3.75Å; F1013-Y1015 HydrophobicContact CE1-CD1 3.75Å; F1013-Y1015 AromaticContact CE1-CD2 3.76Å; F1013-Y1015 HydrophobicContact CE1-CD2 3.76Å; F1013-Y1015 AromaticContact CE1-CE1 3.74Å; F1013-Y1015 HydrophobicContact CE1-CE1 3.74Å; F1013-Y1015 AromaticContact CE1-CE2 3.75Å; F1013-Y1015 HydrophobicContact CE1-CE2 3.75Å; F1013-Y1015 AromaticContact CE1-CG 3.76Å; F1013-Y1015 HydrophobicContact CE1-CG 3.76Å; F1013-Y1015 AromaticContact CE1-CZ 3.73Å; F1013-Y1015 AromaticContact CZ-CD1 3.88Å; F1013-Y1015 HydrophobicContact CZ-CD1 3.88Å; F1013-Y1015 HydrophobicContact CZ-CE1 4.01Å; F1013-Y1015 HydrophobicContact CZ-CG 4.2Å; F1013-V1023 PolarHBondContact O-N 3.43Å; F1013-L1024 HydrophobicContact CB-CB 4.08Å; F1013-L1024 HydrophobicContact CB-CD1 4.1Å; F1013-L1024 HydrophobicContact CB-CG 4.34Å; F1013-L1024 PolarHBondContact N-O 3.15Å; F1013-L1024 PolarHBondContact O-N 3.05Å; F1013-T1049 HydrophobicContact CD1-CG2 3.29Å; F1013-T1049 HydrophobicContact CE1-CG2 3.56Å; F1013-T1049 HydrophobicContact CG-CG2 4.15Å; F1013-L1053 HydrophobicContact CB-CD1 4.3Å; F1013-L1053 HydrophobicContact CD2-CD2 3.87Å; F1013-L1053 HydrophobicContact CE2-CD2 4.11Å; F1013-L1053 HydrophobicContact CG-CD1 4.43Å; F1013-L1053 HydrophobicContact CG-CD2 4.35Å; F1013-Y1058 VanDerWaalsContact CE2-CB 3.48Å; F1013-Y1058 HydrophobicContact CE2-CG 4.04Å; F1013-Y1058 HydrophobicContact CZ-CD1 4.04Å; F1013-Y1058 HydrophobicContact CZ-CD2 4.2Å; F1013-Y1058 AromaticContact CZ-CG 3.71Å; F1013-Y1058 HydrophobicContact CZ-CG 3.71Å |
| 1014 | K | 88.2 | Confident | 83.6 | Confident | 76 Ų | 76 | 53.5 Ų | 53.5 | 33% | 0.33 | 26% | 0.264 | S | S | . | . | trans | -146 | 131.7 | 176 | 178.4 | -179.2 | 178.9 | -172.4 | 0 | 108.4 | R1018 S1019 | K1014-R1018 WeakPolarHBondContact CE-O 3.47Å; K1014-S1019 VanDerWaalsContact CE-C 3.5Å; K1014-S1019 WeakPolarHBondContact CE-O 3.31Å; K1014-S1019 PolarHBondContact NZ-O 3.05Å | ||
| 1015 | Y | 84.2 | Confident | 83.6 | Confident | 34 Ų | 34 | 57 Ų | 57 | 13% | 0.133 | 28% | 0.28 | C | S | . | . | trans | -68.3 | 139.5 | 173.4 | -72.9 | -79.7 | 0 | 0 | 0 | 110.7 | F1013 S1017 R1018 V1023 T1049 Q1052 Y1058 | F1013-Y1015 HydrophobicContact CD1-CE2 4.46Å; F1013-Y1015 AromaticContact CE1-CD1 3.75Å; F1013-Y1015 HydrophobicContact CE1-CD1 3.75Å; F1013-Y1015 AromaticContact CE1-CD2 3.76Å; F1013-Y1015 HydrophobicContact CE1-CD2 3.76Å; F1013-Y1015 AromaticContact CE1-CE1 3.74Å; F1013-Y1015 HydrophobicContact CE1-CE1 3.74Å; F1013-Y1015 AromaticContact CE1-CE2 3.75Å; F1013-Y1015 HydrophobicContact CE1-CE2 3.75Å; F1013-Y1015 AromaticContact CE1-CG 3.76Å; F1013-Y1015 HydrophobicContact CE1-CG 3.76Å; F1013-Y1015 AromaticContact CE1-CZ 3.73Å; F1013-Y1015 AromaticContact CZ-CD1 3.88Å; F1013-Y1015 HydrophobicContact CZ-CD1 3.88Å; F1013-Y1015 HydrophobicContact CZ-CE1 4.01Å; F1013-Y1015 HydrophobicContact CZ-CG 4.2Å; Y1015-S1017 VanDerWaalsContact C-N 3.33Å; Y1015-S1017 PolarHBondContact O-N 2.79Å; Y1015-R1018 PolarHBondContact O-N 3.38Å; Y1015-V1023 HydrophobicContact CD2-CG2 3.84Å; Y1015-V1023 HydrophobicContact CE2-CG2 4.03Å; Y1015-T1049 HydrophobicContact CE2-CG2 4.22Å; Y1015-T1049 PolarHBondContact OH-OG1 3.23Å; Y1015-Q1052 PolarHBondContact OH-OE1 3.38Å; Y1015-Y1058 HydrophobicContact CD1-CE1 4.1Å; Y1015-Y1058 HydrophobicContact CE1-CD2 4.42Å; Y1015-Y1058 HydrophobicContact CE1-CE1 4.07Å; Y1015-Y1058 AromaticContact CE1-CE2 3.9Å; Y1015-Y1058 HydrophobicContact CE1-CE2 3.9Å; Y1015-Y1058 AromaticContact CE1-CZ 3.7Å | ||
| 1016 | S | 76.6 | Confident | 83.4 | Confident | 78 Ų | 78 | 58.1 Ų | 58.1 | 55% | 0.545 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -36.8 | 178.1 | 48.5 | 0 | 0 | 0 | 0 | 112.7 | R1018 | S1016-R1018 VanDerWaalsContact C-N 3.28Å; S1016-R1018 PolarHBondContact O-N 3.23Å |
| 1017 | S | 71.8 | Confident | 83.3 | Confident | 58 Ų | 58 | 58 Ų | 58 | 41% | 0.406 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -19.8 | -179.5 | 57.3 | 0 | 0 | 0 | 0 | 113.9 | Y1015 | Y1015-S1017 VanDerWaalsContact C-N 3.33Å; Y1015-S1017 PolarHBondContact O-N 2.79Å |
| 1018 | R | 71.8 | Confident | 83.2 | Confident | 182 Ų | 182 | 59.9 Ų | 59.9 | 69% | 0.687 | 30% | 0.301 | S | S | * | . | trans | -113.3 | 107.3 | 179.2 | -65.1 | -173 | -177.5 | -178.4 | 1.3 | 110.1 | K1014 Y1015 S1016 E1020 | K1014-R1018 WeakPolarHBondContact CE-O 3.47Å; Y1015-R1018 PolarHBondContact O-N 3.38Å; S1016-R1018 VanDerWaalsContact C-N 3.28Å; S1016-R1018 PolarHBondContact O-N 3.23Å; R1018-E1020 PolarHBondContact O-N 2.86Å | ||
| 1019 | S | 59.6 | Low | 83.1 | Confident | 44 Ų | 44 | 60.8 Ų | 60.8 | 31% | 0.308 | 31% | 0.305 | S | S | . | . | trans | -68.6 | -18.5 | 178.4 | 50.3 | 0 | 0 | 0 | 0 | 113.9 | I652 K1014 | I652-S1019 WeakPolarHBondContact CD1-O 3.33Å; K1014-S1019 VanDerWaalsContact CE-C 3.5Å; K1014-S1019 WeakPolarHBondContact CE-O 3.31Å; K1014-S1019 PolarHBondContact NZ-O 3.05Å | ||
| 1020 | E | 59.3 | Low | 83.2 | Confident | 149 Ų | 149 | 59.9 Ų | 59.9 | 70% | 0.696 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -113.5 | 134.3 | -174.3 | -62 | -168.2 | 170.5 | 0 | 0 | 112.2 | R1018 | R1018-E1020 PolarHBondContact O-N 2.86Š|
| 1021 | G | 69.4 | Low | 83.4 | Confident | 55 Ų | 55 | 55.3 Ų | 55.3 | 57% | 0.567 | 29% | 0.286 | S | S | * | . | trans | 83.2 | 130.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1022 | R | 80.1 | Confident | 83.5 | Confident | 135 Ų | 135 | 59.6 Ų | 59.6 | 51% | 0.509 | 31% | 0.306 | S | S | . | . | trans | -84.6 | 129 | 161.8 | -68.9 | -177.8 | -178.3 | 175.9 | 0.4 | 107.9 | K1025 | R1022-K1025 HydrophobicContact CB-CG 4.16Å; R1022-K1025 WeakPolarHBondContact O-CE 3.36Å | ||
| 1023 | V | 86.3 | Confident | 83.5 | Confident | 34 Ų | 34 | 60.2 Ų | 60.2 | 21% | 0.206 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -77.1 | -45.3 | 179.5 | -180 | 0 | 0 | 0 | 0 | 110.4 | F1013 Y1015 T1049 G1224 | F1013-V1023 PolarHBondContact O-N 3.43Å; Y1015-V1023 HydrophobicContact CD2-CG2 3.84Å; Y1015-V1023 HydrophobicContact CE2-CG2 4.03Å; V1023-T1049 HydrophobicContact CG1-CG2 4.4Å; V1023-G1224 WeakPolarHBondContact O-CA 3.39Å |
| 1024 | L | 89.8 | Confident | 83.5 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 135.9 | 175.5 | -62.6 | 174.9 | 0 | 0 | 0 | 110.6 | V1011 Y1012 F1013 T1049 L1050 L1053 L1221 | V1011-L1024 HydrophobicContact CG1-CD1 3.96Å; Y1012-L1024 WeakPolarHBondContact CA-O 3.44Å; F1013-L1024 HydrophobicContact CB-CB 4.08Å; F1013-L1024 HydrophobicContact CB-CD1 4.1Å; F1013-L1024 HydrophobicContact CB-CG 4.34Å; F1013-L1024 PolarHBondContact N-O 3.15Å; F1013-L1024 PolarHBondContact O-N 3.05Å; L1024-T1049 HydrophobicContact CD1-CG2 4.14Å; L1024-T1049 HydrophobicContact CG-CG2 4.44Å; L1024-L1050 HydrophobicContact CD1-CD2 3.57Å; L1024-L1050 HydrophobicContact CD1-CG 4.16Å; L1024-L1050 HydrophobicContact CD2-CD2 4.25Å; L1024-L1050 HydrophobicContact CD2-CG 4.29Å; L1024-L1053 HydrophobicContact CD1-CD1 3.63Å; L1024-L1221 HydrophobicContact CD2-CD2 4.4Å |
| 1025 | K | 88.7 | Confident | 83.6 | Confident | 74 Ų | 74 | 59.7 Ų | 59.7 | 32% | 0.322 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 84.8 | -173.1 | -60.4 | 179.1 | -163.2 | 154.4 | 0 | 110.4 | R1022 D1223 G1224 R1225 | R1022-K1025 HydrophobicContact CB-CG 4.16Å; R1022-K1025 WeakPolarHBondContact O-CE 3.36Å; K1025-D1223 WeakPolarHBondContact CD-O 3.39Å; K1025-D1223 PolarHBondContact NZ-O 3.19Å; K1025-G1224 PolarHBondContact N-O 2.93Å; K1025-R1225 HydrophobicContact CB-CG 4.21Å; K1025-R1225 WeakPolarHBondContact O-CG 3.34Å; K1025-R1225 PolarHBondContact O-NE 3.14Å |
| 1026 | N | 89.6 | Confident | 84 | Confident | 70 Ų | 70 | 58.7 Ų | 58.7 | 37% | 0.374 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 66.7 | 41.1 | 179.5 | -158.9 | 20.5 | 0 | 0 | 0 | 114.2 | R1010 V1011 Y1012 | R1010-N1026 WeakPolarHBondContact CA-OD1 3.12Å; R1010-N1026 WeakPolarHBondContact CB-OD1 3.25Å; R1010-N1026 WeakPolarHBondContact CG-OD1 3.43Å; V1011-N1026 WeakPolarHBondContact O-CA 3.49Å; V1011-N1026 PolarHBondContact O-N 3.47Å; Y1012-N1026 HydrophobicContact CE1-CB 3.78Å; Y1012-N1026 VanDerWaalsContact CE1-N 3.29Å; Y1012-N1026 HydrophobicContact CE2-CB 4.07Å; Y1012-N1026 VanDerWaalsContact CZ-CB 3.45Å; Y1012-N1026 VanDerWaalsContact OH-CB 3.29Å; Y1012-N1026 WeakPolarHBondContact OH-CB 3.38Å |
| 1027 | F | 91.7 | Very high | 84.8 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 130.4 | 178.8 | -178.5 | -93.3 | 0 | 0 | 0 | 110.9 | F1008 R1010 V1011 H1029 L1039 L1050 V1219 L1221 K1226 | F1008-F1027 HydrophobicContact CB-CD1 3.86Å; F1008-F1027 HydrophobicContact CB-CE1 3.91Å; F1008-F1027 HydrophobicContact CD1-CD1 4.44Å; F1008-F1027 HydrophobicContact CD1-CE1 4.39Å; F1008-F1027 HydrophobicContact CD2-CE1 4.05Å; F1008-F1027 HydrophobicContact CG-CD1 4.13Å; F1008-F1027 AromaticContact CG-CE1 3.87Å; F1008-F1027 HydrophobicContact CG-CE1 3.87Å; R1010-F1027 PolarHBondContact N-O 3.01Å; V1011-F1027 HydrophobicContact CB-CB 4.42Å; V1011-F1027 PolarHBondContact N-O 3.39Å; V1011-F1027 PolarHBondContact O-N 3.08Å; F1027-H1029 HydrophobicContact CE1-CB 3.96Å; F1027-H1029 HydrophobicContact CZ-CB 3.91Å; F1027-L1039 HydrophobicContact CZ-CD2 4.5Å; F1027-L1050 HydrophobicContact CD1-CD1 4.07Å; F1027-L1050 HydrophobicContact CD1-CD2 3.59Å; F1027-L1050 HydrophobicContact CD2-CD1 4.47Å; F1027-L1050 HydrophobicContact CE1-CD1 3.6Å; F1027-L1050 HydrophobicContact CE1-CD2 3.8Å; F1027-L1050 HydrophobicContact CE1-CG 4.39Å; F1027-L1050 HydrophobicContact CE2-CD1 4.06Å; F1027-L1050 HydrophobicContact CG-CD1 4.47Å; F1027-L1050 HydrophobicContact CG-CD2 4.21Å; F1027-L1050 HydrophobicContact CZ-CD1 3.6Å; F1027-V1219 HydrophobicContact CE2-CG1 4.16Å; F1027-V1219 HydrophobicContact CZ-CG1 4.16Å; F1027-L1221 HydrophobicContact CD2-CD2 3.89Å; F1027-L1221 HydrophobicContact CD2-CG 4.2Å; F1027-L1221 HydrophobicContact CE2-CD1 3.95Å; F1027-L1221 HydrophobicContact CE2-CD2 3.73Å; F1027-L1221 HydrophobicContact CE2-CG 3.73Å; F1027-L1221 HydrophobicContact CZ-CD1 4.44Å; F1027-L1221 HydrophobicContact CZ-CD2 4.49Å; F1027-K1226 HydrophobicContact CD2-CB 4.06Å; F1027-K1226 HydrophobicContact CE2-CB 3.86Å |
| 1028 | S | 92.3 | Very high | 85.7 | Confident | 43 Ų | 43 | 52.2 Ų | 52.2 | 30% | 0.301 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 126 | 176.5 | -51.9 | 0 | 0 | 0 | 0 | 112.1 | F1008 R1010 K1226 | F1008-S1028 CarbonylContact O-C 3.59Å; F1008-S1028 WeakPolarHBondContact O-CA 3.49Å; R1010-S1028 PolarHBondContact N-OG 3.5Å; S1028-K1226 WeakPolarHBondContact O-CE 3.46Å; S1028-K1226 PolarHBondContact O-NZ 2.87Å |
| 1029 | H | 92.3 | Very high | 86.7 | Confident | 21 Ų | 21 | 43.6 Ų | 43.6 | 10% | 0.097 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.5 | 152 | 178.6 | -170.1 | 54.1 | 0 | 0 | 0 | 110.8 | F1008 F1027 L1217 V1219 K1226 | F1008-H1029 WeakPolarHBondContact CA-O 3.25Å; F1008-H1029 WeakPolarHBondContact CB-O 3.27Å; F1008-H1029 WeakPolarHBondContact CD2-O 3.39Å; F1008-H1029 PolarHBondContact N-O 2.84Å; F1008-H1029 PolarHBondContact O-N 3.49Å; F1027-H1029 HydrophobicContact CE1-CB 3.96Å; F1027-H1029 HydrophobicContact CZ-CB 3.91Å; H1029-L1217 WeakPolarHBondContact CE1-CD2 3.49Å; H1029-L1217 WeakPolarHBondContact NE2-CD2 3.47Å; H1029-V1219 VanDerWaalsContact NE2-CG2 3.31Å; H1029-V1219 WeakPolarHBondContact NE2-CG2 3.37Å; H1029-K1226 HydrophobicContact CB-CD 4.45Å |
| 1030 | T | 93.3 | Very high | 88.1 | Confident | 46 Ų | 46 | 41.8 Ų | 41.8 | 28% | 0.282 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 133.5 | 178.6 | -66.2 | 0 | 0 | 0 | 0 | 109.6 | K1005 V1006 S1007 E1032 | K1005-T1030 HydrophobicContact CG-CG2 4.39Å; V1006-T1030 WeakPolarHBondContact O-CA 2.88Å; S1007-T1030 WeakPolarHBondContact OG-CG2 3.3Å; S1007-T1030 PolarHBondContact OG-OG1 3.5Å; T1030-E1032 WeakPolarHBondContact CG2-OE1 3.23Å |
| 1031 | V | 93.5 | Very high | 89.4 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 119.8 | 174.3 | -176.8 | 0 | 0 | 0 | 0 | 107.5 | K1005 V1006 V1037 T1201 L1203 | K1005-V1031 WeakPolarHBondContact CA-O 3.12Å; V1006-V1031 HydrophobicContact CB-CB 4.22Å; V1006-V1031 HydrophobicContact CB-CG2 4.49Å; V1006-V1031 PolarHBondContact N-O 3.25Å; V1006-V1031 PolarHBondContact O-N 3.45Å; V1031-V1037 HydrophobicContact CB-CG2 4.22Å; V1031-V1037 HydrophobicContact CG1-CB 4.37Å; V1031-V1037 HydrophobicContact CG1-CG2 3.71Å; V1031-V1037 HydrophobicContact CG2-CB 4.18Å; V1031-V1037 HydrophobicContact CG2-CG1 4.44Å; V1031-V1037 HydrophobicContact CG2-CG2 3.96Å; V1031-T1201 HydrophobicContact CG1-CG2 3.46Å; V1031-T1201 VanDerWaalsContact CG1-CG2 3.46Å; V1031-L1203 HydrophobicContact CG2-CD1 4.13Å |
| 1032 | E | 93.3 | Very high | 90 | Very high | 91 Ų | 91 | 35.6 Ų | 35.6 | 43% | 0.425 | 20% | 0.196 | S | C | . | . | P | Polyproline II helix | trans | -82.2 | 154.2 | 178.9 | -64.3 | -58.9 | 152.7 | 0 | 0 | 111.7 | T1030 G1034 Q1035 | T1030-E1032 WeakPolarHBondContact CG2-OE1 3.23Å; E1032-G1034 PolarHBondContact O-N 3.45Å; E1032-Q1035 HydrophobicContact CB-CB 4.46Å; E1032-Q1035 VanDerWaalsContact N-OE1 3.15Å; E1032-Q1035 WeakPolarHBondContact O-CB 3.32Å; E1032-Q1035 PolarHBondContact O-N 3.33Å; E1032-Q1035 VanDerWaalsContact O-N 3.13Å |
| 1033 | P | 92 | Very high | 90 | Very high | 66 Ų | 66 | 34.1 Ų | 34.1 | 43% | 0.429 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 130.6 | 177.3 | -29.5 | 37.6 | 0 | 0 | 0 | 113.6 | K1003 K1005 Q1035 | K1003-P1033 HydrophobicContact CB-CG 4.48Å; K1003-P1033 WeakPolarHBondContact O-CB 3.19Å; K1005-P1033 HydrophobicContact CB-CG 4.07Å; P1033-Q1035 PolarHBondContact O-N 3.36Å |
| 1034 | G | 89.6 | Confident | 89.6 | Confident | 31 Ų | 31 | 36.1 Ų | 36.1 | 32% | 0.32 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | -1.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | E1032 T1201 | E1032-G1034 PolarHBondContact O-N 3.45Å; G1034-T1201 PolarHBondContact N-OG1 2.98Å |
| 1035 | Q | 91.3 | Very high | 89.3 | Confident | 41 Ų | 41 | 36.4 Ų | 36.4 | 19% | 0.192 | 24% | 0.236 | C | C | . | . | trans | -83.8 | 140.6 | 179.7 | -165.8 | 179.4 | 20.9 | 0 | 0 | 111.6 | E1032 P1033 V1037 S1202 D1216 | E1032-Q1035 HydrophobicContact CB-CB 4.46Å; E1032-Q1035 VanDerWaalsContact N-OE1 3.15Å; E1032-Q1035 WeakPolarHBondContact O-CB 3.32Å; E1032-Q1035 PolarHBondContact O-N 3.33Å; E1032-Q1035 VanDerWaalsContact O-N 3.13Å; P1033-Q1035 PolarHBondContact O-N 3.36Å; Q1035-V1037 HydrophobicContact CG-CG2 4.04Å; Q1035-S1202 PolarHBondContact O-N 3.14Å; Q1035-D1216 HydrophobicContact CG-CB 3.74Å | ||
| 1036 | T | 91.9 | Very high | 89.2 | Confident | 13 Ų | 13 | 33.1 Ų | 33.1 | 8% | 0.08 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 113.1 | 169.7 | -59.5 | 0 | 0 | 0 | 0 | 110.4 | M1197 S1202 V1204 A1215 D1216 L1217 | T1036-M1197 HydrophobicContact CG2-SD 3.75Å; T1036-S1202 CarbonylContact C-O 3.55Å; T1036-S1202 WeakPolarHBondContact CA-O 3.09Å; T1036-V1204 HydrophobicContact CG2-CG2 4.05Å; T1036-A1215 HydrophobicContact CG2-CB 4.16Å; T1036-D1216 PolarHBondContact N-OD2 3.37Å; T1036-D1216 PolarHBondContact O-N 3.2Å; T1036-D1216 VanDerWaalsContact O-N 3.1Å; T1036-L1217 PolarHBondContact O-N 3.48Å |
| 1037 | V | 92.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 119.8 | -179.2 | 179.4 | 0 | 0 | 0 | 0 | 110.5 | V1031 Q1035 S1202 L1203 V1204 L1217 V1219 | V1031-V1037 HydrophobicContact CB-CG2 4.22Å; V1031-V1037 HydrophobicContact CG1-CB 4.37Å; V1031-V1037 HydrophobicContact CG1-CG2 3.71Å; V1031-V1037 HydrophobicContact CG2-CB 4.18Å; V1031-V1037 HydrophobicContact CG2-CG1 4.44Å; V1031-V1037 HydrophobicContact CG2-CG2 3.96Å; Q1035-V1037 HydrophobicContact CG-CG2 4.04Å; V1037-S1202 PolarHBondContact N-O 3.18Å; V1037-L1203 HydrophobicContact CB-CD1 4.06Å; V1037-L1203 HydrophobicContact CG1-CD1 4.15Å; V1037-V1204 PolarHBondContact O-N 2.96Å; V1037-L1217 CarbonylContact C-O 3.58Å; V1037-L1217 WeakPolarHBondContact CA-O 3.45Å; V1037-L1217 HydrophobicContact CG2-CB 4.24Å; V1037-L1217 HydrophobicContact CG2-CD2 4.41Å; V1037-V1219 HydrophobicContact CG1-CG2 3.74Å |
| 1038 | A | 92.1 | Very high | 89 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 128 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1204 I1212 A1215 L1217 V1218 V1219 | A1038-V1204 CarbonylContact C-O 3.54Å; A1038-V1204 VanDerWaalsContact CA-O 3.27Å; A1038-V1204 WeakPolarHBondContact CA-O 3.47Å; A1038-I1212 HydrophobicContact CB-CB 4.28Å; A1038-I1212 HydrophobicContact CB-CG1 3.99Å; A1038-I1212 HydrophobicContact CB-CG2 3.47Å; A1038-I1212 VanDerWaalsContact CB-CG2 3.47Å; A1038-A1215 HydrophobicContact CB-CB 3.91Å; A1038-L1217 PolarHBondContact N-O 3.28Å; A1038-V1218 HydrophobicContact CB-CG2 4.3Å; A1038-V1218 CarbonylContact O-C 3.5Å; A1038-V1218 WeakPolarHBondContact O-CA 3.2Å; A1038-V1219 PolarHBondContact O-N 3.18Å |
| 1039 | L | 91.8 | Very high | 88.9 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 114.7 | 175.3 | -60.7 | 174.1 | 0 | 0 | 0 | 109.4 | F1027 L1050 L1051 L1203 V1204 V1205 V1219 L1221 | F1027-L1039 HydrophobicContact CZ-CD2 4.5Å; L1039-L1050 HydrophobicContact CD1-CB 4.12Å; L1039-L1050 HydrophobicContact CD1-CD1 3.9Å; L1039-L1050 HydrophobicContact CD2-CD1 4.1Å; L1039-L1051 HydrophobicContact CD1-CD2 4.1Å; L1039-L1203 HydrophobicContact CD1-CD1 3.96Å; L1039-L1203 HydrophobicContact CD1-CD2 4.19Å; L1039-L1203 HydrophobicContact CD1-CG 4.01Å; L1039-L1203 HydrophobicContact CD2-CD1 4.38Å; L1039-L1203 HydrophobicContact CG-CD1 4.02Å; L1039-L1203 HydrophobicContact CG-CG 4.49Å; L1039-V1204 PolarHBondContact N-O 2.99Å; L1039-V1205 HydrophobicContact CB-CG2 4.01Å; L1039-V1205 HydrophobicContact CD1-CG2 4.01Å; L1039-V1219 HydrophobicContact CD2-CB 4.07Å; L1039-V1219 HydrophobicContact CD2-CG1 4.35Å; L1039-L1221 HydrophobicContact CB-CD1 4.26Å; L1039-L1221 HydrophobicContact CD2-CD1 3.89Å |
| 1040 | V | 89.4 | Confident | 88.9 | Confident | 5 Ų | 5 | 29.3 Ų | 29.3 | 3% | 0.03 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 160.9 | -176.8 | -61.8 | 0 | 0 | 0 | 0 | 111.6 | I1212 V1218 V1219 V1220 L1221 F1242 | V1040-I1212 HydrophobicContact CG1-CD1 3.3Å; V1040-I1212 HydrophobicContact CG1-CG1 4.34Å; V1040-V1218 HydrophobicContact CB-CG1 4.46Å; V1040-V1218 HydrophobicContact CG1-CG1 4.12Å; V1040-V1218 HydrophobicContact CG2-CG1 3.48Å; V1040-V1218 VanDerWaalsContact CG2-CG1 3.48Å; V1040-V1219 PolarHBondContact N-O 3.32Å; V1040-V1220 HydrophobicContact CG2-CB 4.12Å; V1040-V1220 HydrophobicContact CG2-CG1 4.34Å; V1040-V1220 HydrophobicContact CG2-CG2 3.64Å; V1040-V1220 CarbonylContact O-C 3.58Å; V1040-V1220 WeakPolarHBondContact O-CA 3.39Å; V1040-L1221 PolarHBondContact O-N 3.05Å; V1040-F1242 HydrophobicContact CG2-CD2 3.95Å; V1040-F1242 HydrophobicContact CG2-CE2 4.27Å |
| 1041 | G | 85.7 | Confident | 88.9 | Confident | 13 Ų | 13 | 27.2 Ų | 27.2 | 13% | 0.134 | 19% | 0.189 | C | C | . | . | trans | 151.9 | 174.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1047 L1221 | G1041-K1047 PolarHBondContact O-NZ 2.8Å; G1041-L1221 WeakPolarHBondContact CA-O 3.49Å | ||
| 1042 | P | 82.2 | Confident | 88.8 | Confident | 62 Ų | 62 | 28.6 Ų | 28.6 | 40% | 0.403 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -65.2 | 164.4 | 177.7 | 26.6 | -31.9 | 0 | 0 | 0 | 112.1 | G1044 C1045 K1047 L1221 | P1042-G1044 PolarHBondContact O-N 3.29Å; P1042-C1045 HydrophobicContact CG-CB 4.16Å; P1042-C1045 PolarHBondContact O-N 3.44Å; P1042-C1045 PolarHBondContact O-SG 2.98Å; P1042-K1047 PolarHBondContact O-NZ 3.37Å; P1042-L1221 WeakPolarHBondContact CD-O 3.37Å |
| 1043 | S | 80.4 | Confident | 88.8 | Confident | 103 Ų | 103 | 24.3 Ų | 24.3 | 72% | 0.72 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 135.7 | 175 | -63.4 | 0 | 0 | 0 | 0 | 111.1 | C1045 | S1043-C1045 PolarHBondContact O-N 3.17Š|
| 1044 | G | 77.7 | Confident | 88.9 | Confident | 76 Ų | 76 | 21.1 Ų | 21.1 | 78% | 0.784 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80 | 2.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | P1042 G1046 | P1042-G1044 PolarHBondContact O-N 3.29Å; G1044-G1046 PolarHBondContact O-N 3.4Å |
| 1045 | C | 83.6 | Confident | 89 | Confident | 7 Ų | 7 | 20 Ų | 20 | 5% | 0.047 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -73.3 | -6.3 | 178.4 | 72 | 0 | 0 | 0 | 0 | 114.9 | P1042 S1043 K1047 L1221 G1224 | P1042-C1045 HydrophobicContact CG-CB 4.16Å; P1042-C1045 PolarHBondContact O-N 3.44Å; P1042-C1045 PolarHBondContact O-SG 2.98Å; S1043-C1045 PolarHBondContact O-N 3.17Å; C1045-K1047 WeakPolarHBondContact SG-CG 3.31Å; C1045-L1221 HydrophobicContact CB-CB 4.43Å; C1045-L1221 PolarHBondContact SG-O 3.36Å; C1045-L1221 VanDerWaalsContact SG-O 3.38Å; C1045-G1224 WeakPolarHBondContact O-CA 3.36Å; C1045-G1224 PolarHBondContact O-N 3.49Å |
| 1046 | G | 85.9 | Confident | 89.1 | Confident | 4 Ų | 4 | 18.6 Ų | 18.6 | 4% | 0.041 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 106.7 | 13.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | G1044 T1049 L1050 | G1044-G1046 PolarHBondContact O-N 3.4Å; G1046-T1049 WeakPolarHBondContact O-CB 3.42Å; G1046-T1049 PolarHBondContact O-N 3.32Å; G1046-L1050 PolarHBondContact O-N 3.34Å; G1046-L1050 VanDerWaalsContact O-N 3.1Å |
| 1047 | K | 88.7 | Confident | 89 | Confident | 13 Ų | 13 | 18.3 Ų | 18.3 | 6% | 0.057 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.4 | -61.2 | -179.2 | -47.6 | -175.3 | -66.2 | -96.8 | 0 | 112.8 | G1041 P1042 C1045 T1049 L1050 V1205 | G1041-K1047 PolarHBondContact O-NZ 2.8Å; P1042-K1047 PolarHBondContact O-NZ 3.37Å; C1045-K1047 WeakPolarHBondContact SG-CG 3.31Å; K1047-T1049 PolarHBondContact O-N 2.97Å; K1047-L1050 WeakPolarHBondContact O-CB 3.36Å; K1047-L1050 PolarHBondContact O-N 3.22Å; K1047-L1050 VanDerWaalsContact O-N 3.08Å; K1047-V1205 HydrophobicContact CB-CG1 3.72Å; K1047-V1205 HydrophobicContact CB-CG2 3.99Å; K1047-V1205 HydrophobicContact CD-CG1 4.23Å |
| 1048 | S | 88.8 | Confident | 89 | Confident | 33 Ų | 33 | 18.8 Ų | 18.8 | 23% | 0.231 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.6 | -27.6 | 177.5 | -48 | 0 | 0 | 0 | 0 | 112.2 | L1050 L1051 Q1052 D1175 | S1048-L1050 VanDerWaalsContact C-N 3.31Å; S1048-L1050 PolarHBondContact O-N 3.4Å; S1048-L1051 PolarHBondContact O-N 2.99Å; S1048-Q1052 VanDerWaalsContact O-CG 3.32Å; S1048-Q1052 WeakPolarHBondContact O-CG 3.43Å; S1048-Q1052 PolarHBondContact O-N 2.94Å; S1048-D1175 WeakPolarHBondContact CB-OD1 3.32Å; S1048-D1175 PolarHBondContact OG-OD1 2.97Å |
| 1049 | T | 91.1 | Very high | 88.9 | Confident | 9 Ų | 9 | 21 Ų | 21 | 6% | 0.055 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.8 | -38.1 | 173.7 | -53.5 | 0 | 0 | 0 | 0 | 111.7 | F1013 Y1015 V1023 L1024 G1046 K1047 Q1052 L1053 | F1013-T1049 HydrophobicContact CD1-CG2 3.29Å; F1013-T1049 HydrophobicContact CE1-CG2 3.56Å; F1013-T1049 HydrophobicContact CG-CG2 4.15Å; Y1015-T1049 HydrophobicContact CE2-CG2 4.22Å; Y1015-T1049 PolarHBondContact OH-OG1 3.23Å; V1023-T1049 HydrophobicContact CG1-CG2 4.4Å; L1024-T1049 HydrophobicContact CD1-CG2 4.14Å; L1024-T1049 HydrophobicContact CG-CG2 4.44Å; G1046-T1049 WeakPolarHBondContact O-CB 3.42Å; G1046-T1049 PolarHBondContact O-N 3.32Å; K1047-T1049 PolarHBondContact O-N 2.97Å; T1049-Q1052 PolarHBondContact O-N 2.82Å; T1049-L1053 WeakPolarHBondContact O-CG 3.31Å; T1049-L1053 PolarHBondContact O-N 3.39Å |
| 1050 | L | 92.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.9 | -43.7 | 174.5 | -70.8 | 172.7 | 0 | 0 | 0 | 111.7 | F1008 L1024 F1027 L1039 G1046 K1047 S1048 Q1052 L1053 V1054 L1221 | F1008-L1050 HydrophobicContact CD1-CD2 3.85Å; F1008-L1050 HydrophobicContact CE1-CB 4.28Å; F1008-L1050 HydrophobicContact CE1-CD2 3.81Å; F1008-L1050 HydrophobicContact CZ-CB 4.44Å; L1024-L1050 HydrophobicContact CD1-CD2 3.57Å; L1024-L1050 HydrophobicContact CD1-CG 4.16Å; L1024-L1050 HydrophobicContact CD2-CD2 4.25Å; L1024-L1050 HydrophobicContact CD2-CG 4.29Å; F1027-L1050 HydrophobicContact CD1-CD1 4.07Å; F1027-L1050 HydrophobicContact CD1-CD2 3.59Å; F1027-L1050 HydrophobicContact CD2-CD1 4.47Å; F1027-L1050 HydrophobicContact CE1-CD1 3.6Å; F1027-L1050 HydrophobicContact CE1-CD2 3.8Å; F1027-L1050 HydrophobicContact CE1-CG 4.39Å; F1027-L1050 HydrophobicContact CE2-CD1 4.06Å; F1027-L1050 HydrophobicContact CG-CD1 4.47Å; F1027-L1050 HydrophobicContact CG-CD2 4.21Å; F1027-L1050 HydrophobicContact CZ-CD1 3.6Å; L1039-L1050 HydrophobicContact CD1-CB 4.12Å; L1039-L1050 HydrophobicContact CD1-CD1 3.9Å; L1039-L1050 HydrophobicContact CD2-CD1 4.1Å; G1046-L1050 PolarHBondContact O-N 3.34Å; G1046-L1050 VanDerWaalsContact O-N 3.1Å; K1047-L1050 WeakPolarHBondContact O-CB 3.36Å; K1047-L1050 PolarHBondContact O-N 3.22Å; K1047-L1050 VanDerWaalsContact O-N 3.08Å; S1048-L1050 VanDerWaalsContact C-N 3.31Å; S1048-L1050 PolarHBondContact O-N 3.4Å; L1050-Q1052 VanDerWaalsContact C-N 3.32Å; L1050-Q1052 PolarHBondContact O-N 2.79Å; L1050-L1053 PolarHBondContact O-N 3.27Å; L1050-V1054 WeakPolarHBondContact O-CG2 3.42Å; L1050-V1054 PolarHBondContact O-N 3.41Å; L1050-L1221 HydrophobicContact CD1-CD1 4.37Å; L1050-L1221 HydrophobicContact CD1-CD2 3.63Å |
| 1051 | L | 92.4 | Very high | 88.6 | Confident | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.9 | -42.3 | 176.5 | -57 | -169.2 | 0 | 0 | 0 | 111.7 | L1039 S1048 L1053 V1054 L1055 V1173 D1175 L1203 V1205 | L1039-L1051 HydrophobicContact CD1-CD2 4.1Å; S1048-L1051 PolarHBondContact O-N 2.99Å; L1051-L1053 VanDerWaalsContact C-N 3.31Å; L1051-L1053 PolarHBondContact O-N 3.05Å; L1051-V1054 WeakPolarHBondContact O-CB 3.25Å; L1051-V1054 PolarHBondContact O-N 2.96Å; L1051-L1055 PolarHBondContact O-N 3.24Å; L1051-V1173 HydrophobicContact CB-CG1 3.86Å; L1051-V1173 HydrophobicContact CD1-CG1 3.75Å; L1051-V1173 HydrophobicContact CD2-CG1 3.86Å; L1051-V1173 HydrophobicContact CG-CG1 4.02Å; L1051-D1175 HydrophobicContact CD1-CB 3.49Å; L1051-D1175 VanDerWaalsContact CD1-CB 3.49Å; L1051-L1203 HydrophobicContact CD2-CB 4.21Å; L1051-L1203 HydrophobicContact CD2-CD2 3.3Å; L1051-L1203 HydrophobicContact CD2-CG 3.56Å; L1051-V1205 HydrophobicContact CD1-CB 4.06Å; L1051-V1205 HydrophobicContact CD1-CG2 3.43Å; L1051-V1205 VanDerWaalsContact CD1-CG2 3.43Å; L1051-V1205 HydrophobicContact CD2-CG2 4.06Å; L1051-V1205 HydrophobicContact CG-CG2 3.68Å |
| 1052 | Q | 92.2 | Very high | 88.5 | Confident | 30 Ų | 30 | 30.6 Ų | 30.6 | 14% | 0.14 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.9 | -31.6 | 177.7 | -68.9 | 174.1 | 1.5 | 0 | 0 | 113 | Y1015 S1048 T1049 L1050 R1056 F1057 Y1058 | Y1015-Q1052 PolarHBondContact OH-OE1 3.38Å; S1048-Q1052 VanDerWaalsContact O-CG 3.32Å; S1048-Q1052 WeakPolarHBondContact O-CG 3.43Å; S1048-Q1052 PolarHBondContact O-N 2.94Å; T1049-Q1052 PolarHBondContact O-N 2.82Å; L1050-Q1052 VanDerWaalsContact C-N 3.32Å; L1050-Q1052 PolarHBondContact O-N 2.79Å; Q1052-R1056 PolarHBondContact O-N 3.36Å; Q1052-F1057 HydrophobicContact CB-CD2 4.32Å; Q1052-F1057 HydrophobicContact CG-CD2 4.19Å; Q1052-F1057 PolarHBondContact O-N 3.15Å; Q1052-Y1058 HydrophobicContact CB-CD2 3.94Å; Q1052-Y1058 HydrophobicContact CB-CE2 3.81Å; Q1052-Y1058 HydrophobicContact CG-CE2 4.29Å |
| 1053 | L | 93.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -70.4 | -38.3 | 172.6 | -69.2 | 175.1 | 0 | 0 | 0 | 111.6 | V1011 F1013 L1024 T1049 L1050 L1051 R1056 Y1058 P1060 V1069 I1076 | V1011-L1053 HydrophobicContact CG1-CD1 3.78Å; F1013-L1053 HydrophobicContact CB-CD1 4.3Å; F1013-L1053 HydrophobicContact CD2-CD2 3.87Å; F1013-L1053 HydrophobicContact CE2-CD2 4.11Å; F1013-L1053 HydrophobicContact CG-CD1 4.43Å; F1013-L1053 HydrophobicContact CG-CD2 4.35Å; L1024-L1053 HydrophobicContact CD1-CD1 3.63Å; T1049-L1053 WeakPolarHBondContact O-CG 3.31Å; T1049-L1053 PolarHBondContact O-N 3.39Å; L1050-L1053 PolarHBondContact O-N 3.27Å; L1051-L1053 VanDerWaalsContact C-N 3.31Å; L1051-L1053 PolarHBondContact O-N 3.05Å; L1053-R1056 WeakPolarHBondContact O-CA 3.36Å; L1053-R1056 PolarHBondContact O-N 3.04Å; L1053-Y1058 WeakPolarHBondContact CD2-O 3.46Å; L1053-P1060 HydrophobicContact CD2-CB 4.44Å; L1053-V1069 HydrophobicContact CB-CG2 4.32Å; L1053-I1076 WeakPolarHBondContact O-CD1 3.32Å |
| 1054 | V | 93.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.6 | -41.3 | 174.8 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | V1006 F1008 L1050 L1051 R1056 V1069 F1071 V1084 I1088 L1171 V1173 L1203 | V1006-V1054 HydrophobicContact CG1-CG2 4.26Å; F1008-V1054 HydrophobicContact CE1-CG2 3.72Å; F1008-V1054 HydrophobicContact CZ-CG2 3.41Å; F1008-V1054 VanDerWaalsContact CZ-CG2 3.41Å; L1050-V1054 WeakPolarHBondContact O-CG2 3.42Å; L1050-V1054 PolarHBondContact O-N 3.41Å; L1051-V1054 WeakPolarHBondContact O-CB 3.25Å; L1051-V1054 PolarHBondContact O-N 2.96Å; V1054-R1056 PolarHBondContact O-N 3.02Å; V1054-V1069 HydrophobicContact CG2-CG1 4.37Å; V1054-F1071 HydrophobicContact CG1-CE1 3.95Å; V1054-F1071 HydrophobicContact CG1-CZ 3.69Å; V1054-V1084 WeakPolarHBondContact O-CG1 3.15Å; V1054-I1088 HydrophobicContact CG1-CD1 4.04Å; V1054-L1171 HydrophobicContact CG1-CD2 3.68Å; V1054-V1173 HydrophobicContact CG1-CG2 4.4Å; V1054-L1203 HydrophobicContact CG2-CD2 4.24Å |
| 1055 | L | 91.9 | Very high | 88.6 | Confident | 6 Ų | 6 | 27.8 Ų | 27.8 | 3% | 0.031 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -7.9 | 172.8 | -71.5 | 166.5 | 0 | 0 | 0 | 113.8 | L1051 F1057 R1085 I1088 L1090 | L1051-L1055 PolarHBondContact O-N 3.24Å; L1055-F1057 VanDerWaalsContact C-N 3.29Å; L1055-F1057 HydrophobicContact CB-CD1 4.12Å; L1055-F1057 HydrophobicContact CB-CD2 4.38Å; L1055-F1057 HydrophobicContact CB-CE1 4.14Å; L1055-F1057 HydrophobicContact CB-CE2 4.39Å; L1055-F1057 HydrophobicContact CB-CG 4.25Å; L1055-F1057 HydrophobicContact CB-CZ 4.28Å; L1055-F1057 HydrophobicContact CD1-CD2 4.33Å; L1055-F1057 HydrophobicContact CD1-CE2 3.79Å; L1055-F1057 HydrophobicContact CD1-CZ 3.97Å; L1055-F1057 PolarHBondContact O-N 3.08Å; L1055-R1085 PolarHBondContact O-NE 3.21Å; L1055-R1085 VanDerWaalsContact O-NE 3.16Å; L1055-I1088 HydrophobicContact CD2-CB 4.27Å; L1055-I1088 HydrophobicContact CD2-CD1 4.04Å; L1055-I1088 HydrophobicContact CD2-CG2 3.75Å; L1055-L1090 HydrophobicContact CD1-CD1 3.98Å; L1055-L1090 HydrophobicContact CD1-CD2 3.86Å; L1055-L1090 HydrophobicContact CD1-CG 4.45Å |
| 1056 | R | 92.7 | Very high | 88.4 | Confident | 13 Ų | 13 | 31.8 Ų | 31.8 | 5% | 0.049 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 48.4 | -174.7 | -157.9 | 170.6 | 174.7 | -151.2 | -6.9 | 112.2 | I990 Q1052 L1053 V1054 Y1058 D1059 I1076 R1077 I1079 R1085 | I990-R1056 HydrophobicContact CG2-CG 4.37Å; Q1052-R1056 PolarHBondContact O-N 3.36Å; L1053-R1056 WeakPolarHBondContact O-CA 3.36Å; L1053-R1056 PolarHBondContact O-N 3.04Å; V1054-R1056 PolarHBondContact O-N 3.02Å; R1056-Y1058 VanDerWaalsContact C-N 3.33Å; R1056-D1059 IonicContact CZ-OD1 2.74Å; R1056-D1059 IonicContact NE-OD1 2.62Å; R1056-D1059 PolarHBondContact NE-OD1 3.04Å; R1056-D1059 VanDerWaalsContact NE-OD1 3.07Å; R1056-D1059 IonicContact NH2-OD2 2.92Å; R1056-I1076 HydrophobicContact CB-CD1 4.37Å; R1056-I1076 HydrophobicContact CG-CD1 4.26Å; R1056-I1076 PolarHBondContact NE-O 3.28Å; R1056-I1076 PolarHBondContact NH1-O 3.09Å; R1056-R1077 PolarHBondContact NH2-O 3.37Å; R1056-I1079 PolarHBondContact NH1-O 3.43Å; R1056-R1085 PolarHBondContact O-NH2 3.16Å |
| 1057 | F | 91.8 | Very high | 88.5 | Confident | 7 Ų | 7 | 31.6 Ų | 31.6 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -76.9 | -28.5 | 164.7 | -70.8 | -14 | 0 | 0 | 0 | 111.6 | R227 V230 A231 I775 Q1052 L1055 | R227-F1057 HydrophobicContact CB-CE2 4.2Å; R227-F1057 HydrophobicContact CB-CZ 4.34Å; R227-F1057 HydrophobicContact CG-CE2 4.48Å; R227-F1057 WeakPolarHBondContact O-CZ 3.28Å; V230-F1057 HydrophobicContact CB-CE1 4.44Å; V230-F1057 HydrophobicContact CG1-CD1 4.32Å; V230-F1057 HydrophobicContact CG1-CE1 3.96Å; A231-F1057 HydrophobicContact CB-CE1 4.47Å; A231-F1057 HydrophobicContact CB-CZ 4.07Å; I775-F1057 HydrophobicContact CB-CB 4.11Å; I775-F1057 HydrophobicContact CB-CG 4.43Å; I775-F1057 HydrophobicContact CG1-CB 3.93Å; I775-F1057 HydrophobicContact CG1-CD1 3.81Å; I775-F1057 HydrophobicContact CG1-CD2 4.31Å; I775-F1057 HydrophobicContact CG1-CE1 4.36Å; I775-F1057 HydrophobicContact CG1-CG 3.77Å; Q1052-F1057 HydrophobicContact CB-CD2 4.32Å; Q1052-F1057 HydrophobicContact CG-CD2 4.19Å; Q1052-F1057 PolarHBondContact O-N 3.15Å; L1055-F1057 VanDerWaalsContact C-N 3.29Å; L1055-F1057 HydrophobicContact CB-CD1 4.12Å; L1055-F1057 HydrophobicContact CB-CD2 4.38Å; L1055-F1057 HydrophobicContact CB-CE1 4.14Å; L1055-F1057 HydrophobicContact CB-CE2 4.39Å; L1055-F1057 HydrophobicContact CB-CG 4.25Å; L1055-F1057 HydrophobicContact CB-CZ 4.28Å; L1055-F1057 HydrophobicContact CD1-CD2 4.33Å; L1055-F1057 HydrophobicContact CD1-CE2 3.79Å; L1055-F1057 HydrophobicContact CD1-CZ 3.97Å; L1055-F1057 PolarHBondContact O-N 3.08Å |
| 1058 | Y | 92 | Very high | 88.6 | Confident | 10 Ų | 10 | 31 Ų | 31 | 4% | 0.039 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -135.9 | 152.2 | 173.6 | -41.4 | -91.3 | 0 | 0 | 0 | 108.5 | I775 A776 D779 F1013 Y1015 Q1052 L1053 R1056 | I775-Y1058 HydrophobicContact CG2-CE1 4.44Å; I775-Y1058 WeakPolarHBondContact CG2-OH 3.41Å; A776-Y1058 HydrophobicContact CB-CD1 3.88Å; A776-Y1058 HydrophobicContact CB-CE1 3.91Å; D779-Y1058 WeakPolarHBondContact OD2-CE1 3.31Å; D779-Y1058 PolarHBondContact OD2-OH 3.22Å; F1013-Y1058 VanDerWaalsContact CE2-CB 3.48Å; F1013-Y1058 HydrophobicContact CE2-CG 4.04Å; F1013-Y1058 HydrophobicContact CZ-CD1 4.04Å; F1013-Y1058 HydrophobicContact CZ-CD2 4.2Å; F1013-Y1058 AromaticContact CZ-CG 3.71Å; F1013-Y1058 HydrophobicContact CZ-CG 3.71Å; Y1015-Y1058 HydrophobicContact CD1-CE1 4.1Å; Y1015-Y1058 HydrophobicContact CE1-CD2 4.42Å; Y1015-Y1058 HydrophobicContact CE1-CE1 4.07Å; Y1015-Y1058 AromaticContact CE1-CE2 3.9Å; Y1015-Y1058 HydrophobicContact CE1-CE2 3.9Å; Y1015-Y1058 AromaticContact CE1-CZ 3.7Å; Q1052-Y1058 HydrophobicContact CB-CD2 3.94Å; Q1052-Y1058 HydrophobicContact CB-CE2 3.81Å; Q1052-Y1058 HydrophobicContact CG-CE2 4.29Å; L1053-Y1058 WeakPolarHBondContact CD2-O 3.46Å; R1056-Y1058 VanDerWaalsContact C-N 3.33Å |
| 1059 | D | 89.9 | Confident | 88.8 | Confident | 48 Ų | 48 | 29.5 Ų | 29.5 | 26% | 0.257 | 15% | 0.154 | S | C | . | . | P | Polyproline II helix | trans | -95.1 | 143.1 | 166.5 | -76.7 | -28.7 | 0 | 0 | 0 | 109.2 | R1056 | R1056-D1059 IonicContact CZ-OD1 2.74Å; R1056-D1059 IonicContact NE-OD1 2.62Å; R1056-D1059 PolarHBondContact NE-OD1 3.04Å; R1056-D1059 VanDerWaalsContact NE-OD1 3.07Å; R1056-D1059 IonicContact NH2-OD2 2.92Å |
| 1060 | P | 89 | Confident | 88.9 | Confident | 9 Ų | 9 | 30 Ų | 30 | 6% | 0.058 | 16% | 0.156 | C | C | . | . | P | Polyproline II helix | trans | -65.4 | 169 | 175.5 | 22 | -25.2 | 0 | 0 | 0 | 111.5 | V1011 L1053 R1077 | V1011-P1060 HydrophobicContact CG1-CB 3.96Å; L1053-P1060 HydrophobicContact CD2-CB 4.44Å; P1060-R1077 PolarHBondContact O-NH2 3.39Å |
| 1061 | S | 86.2 | Confident | 88.9 | Confident | 44 Ų | 44 | 30.2 Ų | 30.2 | 31% | 0.308 | 16% | 0.157 | S | C | . | . | P | Polyproline II helix | trans | -67 | 139.6 | 169.9 | -60.2 | 0 | 0 | 0 | 0 | 110.5 | Y1012 R1077 | Y1012-S1061 WeakPolarHBondContact O-CB 3.19Å; Y1012-S1061 PolarHBondContact O-N 3.3Å; S1061-R1077 PolarHBondContact O-NH2 2.87Å |
| 1062 | Y | 83.8 | Confident | 88.8 | Confident | 166 Ų | 166 | 31.9 Ų | 31.9 | 65% | 0.651 | 17% | 0.166 | S | C | * | . | P | Polyproline II helix | trans | -78.8 | 121 | 179.4 | -176.8 | -104.7 | 0 | 0 | 0 | 110.8 | G1064 | Y1062-G1064 WeakPolarHBondContact CE2-O 3.25Š|
| 1063 | H | 82.7 | Confident | 88.5 | Confident | 75 Ų | 75 | 35.2 Ų | 35.2 | 35% | 0.347 | 18% | 0.184 | S | C | . | . | trans | -132 | 32.4 | 179.6 | -76.6 | -78.8 | 0 | 0 | 0 | 112 | Y1012 S1067 | Y1012-H1063 HydrophobicContact CD2-CB 4.19Å; Y1012-H1063 AromaticContact CD2-CD2 3.25Å; Y1012-H1063 WeakPolarHBondContact CD2-CD2 3.42Å; Y1012-H1063 AromaticContact CD2-CG 3.68Å; Y1012-H1063 AromaticContact CD2-NE2 3.72Å; Y1012-H1063 HydrophobicContact CE2-CB 4.34Å; Y1012-H1063 AromaticContact CG-CD2 3.59Å; Y1012-H1063 AromaticContact CG-NE2 3.61Å; H1063-S1067 WeakPolarHBondContact CA-OG 3.49Å; H1063-S1067 PolarHBondContact N-OG 3Å | ||
| 1064 | G | 81.5 | Confident | 88.3 | Confident | 16 Ų | 16 | 38.3 Ų | 38.3 | 17% | 0.165 | 20% | 0.2 | C | C | . | . | S | Bend | trans | 111.4 | 172.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y1062 D1066 S1067 | Y1062-G1064 WeakPolarHBondContact CE2-O 3.25Å; G1064-D1066 PolarHBondContact O-N 3.12Å; G1064-S1067 PolarHBondContact N-OG 3.15Å; G1064-S1067 WeakPolarHBondContact O-CB 3.42Å; G1064-S1067 PolarHBondContact O-N 3.18Å; G1064-S1067 PolarHBondContact O-OG 2.9Å |
| 1065 | P | 77.4 | Confident | 88.2 | Confident | 92 Ų | 92 | 39.1 Ų | 39.1 | 60% | 0.597 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -39.3 | -176.1 | 23.9 | -32.1 | 0 | 0 | 0 | 112.7 | S1067 | P1065-S1067 PolarHBondContact O-N 3.13Å; P1065-S1067 VanDerWaalsContact O-N 3.13Å |
| 1066 | D | 79.7 | Confident | 88.1 | Confident | 91 Ų | 91 | 38.9 Ų | 38.9 | 49% | 0.487 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 32.7 | 176.8 | -11.6 | -68 | 0 | 0 | 0 | 111.6 | R1010 G1064 | R1010-D1066 PolarHBondContact NE-O 3.4Å; R1010-D1066 PolarHBondContact NH2-O 3.31Å; R1010-D1066 IonicContact NH2-OD2 3.55Å; R1010-D1066 PolarHBondContact NH2-OD2 3.22Å; G1064-D1066 PolarHBondContact O-N 3.12Å |
| 1067 | S | 88.8 | Confident | 87.9 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -124.8 | 123.2 | 173.8 | 76.4 | 0 | 0 | 0 | 0 | 111.1 | Q1009 H1063 G1064 P1065 N1075 R1077 | Q1009-S1067 WeakPolarHBondContact O-CA 3.46Å; H1063-S1067 WeakPolarHBondContact CA-OG 3.49Å; H1063-S1067 PolarHBondContact N-OG 3Å; G1064-S1067 PolarHBondContact N-OG 3.15Å; G1064-S1067 WeakPolarHBondContact O-CB 3.42Å; G1064-S1067 PolarHBondContact O-N 3.18Å; G1064-S1067 PolarHBondContact O-OG 2.9Å; P1065-S1067 PolarHBondContact O-N 3.13Å; P1065-S1067 VanDerWaalsContact O-N 3.13Å; S1067-N1075 PolarHBondContact O-ND2 3.22Å; S1067-R1077 PolarHBondContact O-NH1 3.03Å; S1067-R1077 VanDerWaalsContact O-NH1 3.15Å | ||
| 1068 | G | 90.2 | Very high | 87.7 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 147 | -163.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q1009 V1011 | Q1009-G1068 PolarHBondContact N-O 2.97Å; Q1009-G1068 PolarHBondContact O-N 2.59Å; V1011-G1068 WeakPolarHBondContact CG2-O 3.18Å |
| 1069 | V | 92.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 136.4 | 174 | -175.9 | 0 | 0 | 0 | 0 | 106.9 | V1006 S1007 F1008 V1011 L1053 V1054 F1071 N1075 I1076 | V1006-V1069 HydrophobicContact CG1-CG1 4.19Å; S1007-V1069 CarbonylContact O-C 3.21Å; S1007-V1069 WeakPolarHBondContact O-CA 3.14Å; F1008-V1069 HydrophobicContact CD1-CG1 4.25Å; F1008-V1069 HydrophobicContact CD1-CG2 3.72Å; F1008-V1069 HydrophobicContact CE1-CG1 4.14Å; F1008-V1069 HydrophobicContact CE1-CG2 3.96Å; V1011-V1069 HydrophobicContact CG2-CG2 4.35Å; L1053-V1069 HydrophobicContact CB-CG2 4.32Å; V1054-V1069 HydrophobicContact CG2-CG1 4.37Å; V1069-F1071 HydrophobicContact CG1-CE1 4.33Å; V1069-N1075 WeakPolarHBondContact O-CA 3.31Å; V1069-N1075 PolarHBondContact O-OD1 3.03Å; V1069-I1076 HydrophobicContact CB-CD1 3.69Å; V1069-I1076 HydrophobicContact CB-CG1 3.94Å; V1069-I1076 HydrophobicContact CB-CG2 4.35Å; V1069-I1076 HydrophobicContact CG1-CD1 4.19Å; V1069-I1076 HydrophobicContact CG1-CG2 4.21Å; V1069-I1076 HydrophobicContact CG2-CD1 4.27Å; V1069-I1076 WeakPolarHBondContact O-CG1 3.16Å; V1069-I1076 WeakPolarHBondContact O-CG2 3.3Å; V1069-I1076 PolarHBondContact O-N 2.87Å |
| 1070 | F | 93 | Very high | 87.7 | Confident | 21 Ų | 21 | 41.9 Ų | 41.9 | 9% | 0.092 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 133.6 | -175.4 | -63 | -104.8 | 0 | 0 | 0 | 109.7 | V1006 S1007 Q1009 I1074 N1075 | V1006-F1070 WeakPolarHBondContact CA-O 3.29Å; S1007-F1070 PolarHBondContact N-O 2.84Å; S1007-F1070 PolarHBondContact O-N 3.47Å; Q1009-F1070 HydrophobicContact CB-CD2 4.37Å; Q1009-F1070 HydrophobicContact CB-CE2 3.98Å; Q1009-F1070 HydrophobicContact CG-CD2 4.13Å; Q1009-F1070 HydrophobicContact CG-CE2 4.11Å; F1070-I1074 CarbonylContact C-O 3.59Å; F1070-I1074 VanDerWaalsContact CA-O 3.25Å; F1070-I1074 WeakPolarHBondContact CA-O 3.47Å; F1070-N1075 HydrophobicContact CD1-CB 3.85Å; F1070-N1075 HydrophobicContact CE1-CB 3.63Å; F1070-N1075 HydrophobicContact CZ-CB 4.19Å |
| 1071 | F | 92.1 | Very high | 87.8 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 1% | 0.013 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 118.1 | 172.9 | -84.9 | 27.4 | 0 | 0 | 0 | 107.4 | F1002 K1005 V1006 V1054 V1069 D1073 I1074 I1076 I1079 V1084 I1088 L1171 | F1002-F1071 HydrophobicContact CD2-CB 4.22Å; F1002-F1071 HydrophobicContact CD2-CD2 4.22Å; F1002-F1071 HydrophobicContact CE1-CD2 4.11Å; F1002-F1071 HydrophobicContact CE1-CE2 4.2Å; F1002-F1071 HydrophobicContact CE2-CB 3.59Å; F1002-F1071 AromaticContact CE2-CD2 3.67Å; F1002-F1071 HydrophobicContact CE2-CD2 3.67Å; F1002-F1071 HydrophobicContact CE2-CE2 4.5Å; F1002-F1071 AromaticContact CE2-CG 3.72Å; F1002-F1071 HydrophobicContact CE2-CG 3.72Å; F1002-F1071 HydrophobicContact CZ-CB 4.23Å; F1002-F1071 HydrophobicContact CZ-CD1 4.43Å; F1002-F1071 AromaticContact CZ-CD2 3.59Å; F1002-F1071 HydrophobicContact CZ-CD2 3.59Å; F1002-F1071 AromaticContact CZ-CE2 3.99Å; F1002-F1071 HydrophobicContact CZ-CE2 3.99Å; F1002-F1071 AromaticContact CZ-CG 3.84Å; F1002-F1071 HydrophobicContact CZ-CG 3.84Å; K1005-F1071 WeakPolarHBondContact O-CA 3.49Å; V1006-F1071 HydrophobicContact CG1-CD1 4.34Å; V1006-F1071 HydrophobicContact CG1-CE1 4.02Å; V1006-F1071 HydrophobicContact CG2-CD1 4.21Å; V1006-F1071 HydrophobicContact CG2-CE1 3.96Å; V1054-F1071 HydrophobicContact CG1-CE1 3.95Å; V1054-F1071 HydrophobicContact CG1-CZ 3.69Å; V1069-F1071 HydrophobicContact CG1-CE1 4.33Å; F1071-D1073 PolarHBondContact O-N 2.83Å; F1071-I1074 PolarHBondContact N-O 3.46Å; F1071-I1074 PolarHBondContact O-N 3.47Å; F1071-I1076 HydrophobicContact CB-CG2 4.36Å; F1071-I1076 HydrophobicContact CD1-CG2 3.52Å; F1071-I1076 HydrophobicContact CE1-CG2 3.9Å; F1071-I1076 HydrophobicContact CG-CG2 3.91Å; F1071-I1079 HydrophobicContact CB-CD1 4.24Å; F1071-V1084 HydrophobicContact CD2-CG1 4.48Å; F1071-V1084 HydrophobicContact CE2-CG1 3.75Å; F1071-V1084 HydrophobicContact CZ-CG1 4.07Å; F1071-I1088 HydrophobicContact CE2-CD1 4.24Å; F1071-I1088 HydrophobicContact CZ-CD1 4.05Å; F1071-L1171 HydrophobicContact CZ-CD2 4Å |
| 1072 | D | 89.9 | Confident | 87.9 | Confident | 38 Ų | 38 | 40.9 Ų | 40.9 | 20% | 0.203 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.5 | 48.9 | -173.3 | -61.8 | -22.6 | 0 | 0 | 0 | 112.4 | F1002 K1003 K1005 I1074 | F1002-D1072 WeakPolarHBondContact CA-OD2 3.47Å; F1002-D1072 HydrophobicContact CD2-CB 4.49Å; F1002-D1072 WeakPolarHBondContact CD2-OD2 3.34Å; K1003-D1072 PolarHBondContact N-OD2 3.48Å; K1005-D1072 VanDerWaalsContact CB-OD1 3.29Å; K1005-D1072 WeakPolarHBondContact CB-OD1 3.24Å; K1005-D1072 PolarHBondContact N-OD1 2.99Å; K1005-D1072 PolarHBondContact O-N 3.37Å; D1072-I1074 PolarHBondContact O-N 3.08Å |
| 1073 | D | 86.7 | Confident | 88.3 | Confident | 100 Ų | 100 | 34.5 Ų | 34.5 | 54% | 0.535 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 5.6 | 179.4 | -51.4 | -48.3 | 0 | 0 | 0 | 115.9 | K1005 F1071 | K1005-D1073 IonicContact NZ-OD1 3.13Å; K1005-D1073 PolarHBondContact NZ-OD1 2.84Å; K1005-D1073 IonicContact NZ-OD2 3.2Å; K1005-D1073 PolarHBondContact NZ-OD2 3.41Å; K1005-D1073 VanDerWaalsContact NZ-OD2 3.16Å; F1071-D1073 PolarHBondContact O-N 2.83Å |
| 1074 | I | 89.3 | Confident | 88.7 | Confident | 64 Ų | 64 | 31 Ų | 31 | 33% | 0.328 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 126.4 | 172 | -54.3 | 173.3 | 0 | 0 | 0 | 110.1 | P998 F1070 F1071 D1072 I1076 I1079 | P998-I1074 HydrophobicContact CG-CD1 4.28Å; F1070-I1074 CarbonylContact C-O 3.59Å; F1070-I1074 VanDerWaalsContact CA-O 3.25Å; F1070-I1074 WeakPolarHBondContact CA-O 3.47Å; F1071-I1074 PolarHBondContact N-O 3.46Å; F1071-I1074 PolarHBondContact O-N 3.47Å; D1072-I1074 PolarHBondContact O-N 3.08Å; I1074-I1076 PolarHBondContact O-N 3.43Å; I1074-I1079 HydrophobicContact CB-CD1 4Å; I1074-I1079 HydrophobicContact CB-CG1 4.48Å; I1074-I1079 HydrophobicContact CG2-CD1 3.74Å; I1074-I1079 HydrophobicContact CG2-CG1 3.68Å |
| 1075 | N | 90.3 | Very high | 89.2 | Confident | 18 Ų | 18 | 31 Ų | 31 | 10% | 0.096 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 126.7 | 178.4 | -165.4 | -47.9 | 0 | 0 | 0 | 110.9 | S1067 V1069 F1070 R1077 N1078 | S1067-N1075 PolarHBondContact O-ND2 3.22Å; V1069-N1075 WeakPolarHBondContact O-CA 3.31Å; V1069-N1075 PolarHBondContact O-OD1 3.03Å; F1070-N1075 HydrophobicContact CD1-CB 3.85Å; F1070-N1075 HydrophobicContact CE1-CB 3.63Å; F1070-N1075 HydrophobicContact CZ-CB 4.19Å; N1075-R1077 PolarHBondContact O-N 3.29Å; N1075-R1077 WeakPolarHBondContact OD1-CB 3.47Å; N1075-R1077 PolarHBondContact OD1-N 2.9Å; N1075-R1077 VanDerWaalsContact OD1-N 3.09Å; N1075-N1078 PolarHBondContact O-N 2.86Å |
| 1076 | I | 90.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -58.6 | -24.6 | -176.6 | 66.7 | 167.9 | 0 | 0 | 0 | 112.8 | L1053 R1056 V1069 F1071 I1074 N1078 I1079 | L1053-I1076 WeakPolarHBondContact O-CD1 3.32Å; R1056-I1076 HydrophobicContact CB-CD1 4.37Å; R1056-I1076 HydrophobicContact CG-CD1 4.26Å; R1056-I1076 PolarHBondContact NE-O 3.28Å; R1056-I1076 PolarHBondContact NH1-O 3.09Å; V1069-I1076 HydrophobicContact CB-CD1 3.69Å; V1069-I1076 HydrophobicContact CB-CG1 3.94Å; V1069-I1076 HydrophobicContact CB-CG2 4.35Å; V1069-I1076 HydrophobicContact CG1-CD1 4.19Å; V1069-I1076 HydrophobicContact CG1-CG2 4.21Å; V1069-I1076 HydrophobicContact CG2-CD1 4.27Å; V1069-I1076 WeakPolarHBondContact O-CG1 3.16Å; V1069-I1076 WeakPolarHBondContact O-CG2 3.3Å; V1069-I1076 PolarHBondContact O-N 2.87Å; F1071-I1076 HydrophobicContact CB-CG2 4.36Å; F1071-I1076 HydrophobicContact CD1-CG2 3.52Å; F1071-I1076 HydrophobicContact CE1-CG2 3.9Å; F1071-I1076 HydrophobicContact CG-CG2 3.91Å; I1074-I1076 PolarHBondContact O-N 3.43Å; I1076-N1078 PolarHBondContact O-N 3.48Å; I1076-I1079 PolarHBondContact O-N 3.32Å |
| 1077 | R | 87.7 | Confident | 90.4 | Very high | 46 Ų | 46 | 29.5 Ų | 29.5 | 17% | 0.174 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -60.4 | -28.4 | 176.1 | -69.7 | -167.4 | -174.3 | 121.2 | -6.1 | 112.8 | R1056 P1060 S1061 S1067 N1075 | R1056-R1077 PolarHBondContact NH2-O 3.37Å; P1060-R1077 PolarHBondContact O-NH2 3.39Å; S1061-R1077 PolarHBondContact O-NH2 2.87Å; S1067-R1077 PolarHBondContact O-NH1 3.03Å; S1067-R1077 VanDerWaalsContact O-NH1 3.15Å; N1075-R1077 PolarHBondContact O-N 3.29Å; N1075-R1077 WeakPolarHBondContact OD1-CB 3.47Å; N1075-R1077 PolarHBondContact OD1-N 2.9Å; N1075-R1077 VanDerWaalsContact OD1-N 3.09Å |
| 1078 | N | 88.9 | Confident | 90.6 | Very high | 94 Ų | 94 | 29.6 Ų | 29.6 | 50% | 0.503 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -92.6 | -15.2 | -177.6 | -63.7 | -18.7 | 0 | 0 | 0 | 113 | G995 I996 N1075 I1076 | G995-N1078 CarbonylContact C-O 3.56Å; G995-N1078 VanDerWaalsContact CA-O 3.27Å; G995-N1078 WeakPolarHBondContact CA-O 3.28Å; I996-N1078 HydrophobicContact CD1-CB 4.38Å; I996-N1078 PolarHBondContact N-O 3.34Å; N1075-N1078 PolarHBondContact O-N 2.86Å; I1076-N1078 PolarHBondContact O-N 3.48Å |
| 1079 | I | 90.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | B | Isolated β-bridge | trans | -83.5 | 158.1 | 179.9 | -61.9 | 169.1 | 0 | 0 | 0 | 109.3 | I996 R1056 F1071 I1074 I1076 W1083 V1084 | I996-I1079 CarbonylContact O-C 3.6Å; I996-I1079 VanDerWaalsContact O-CA 3.28Å; I996-I1079 WeakPolarHBondContact O-CA 3.36Å; I996-I1079 WeakPolarHBondContact O-CG2 3.27Å; R1056-I1079 PolarHBondContact NH1-O 3.43Å; F1071-I1079 HydrophobicContact CB-CD1 4.24Å; I1074-I1079 HydrophobicContact CB-CD1 4Å; I1074-I1079 HydrophobicContact CB-CG1 4.48Å; I1074-I1079 HydrophobicContact CG2-CD1 3.74Å; I1074-I1079 HydrophobicContact CG2-CG1 3.68Å; I1076-I1079 PolarHBondContact O-N 3.32Å; I1079-W1083 HydrophobicContact CD1-CZ3 4.39Å; I1079-W1083 HydrophobicContact CG2-CB 4.47Å; I1079-W1083 HydrophobicContact CG2-CD2 4.26Å; I1079-W1083 HydrophobicContact CG2-CE3 3.5Å; I1079-W1083 VanDerWaalsContact CG2-CE3 3.5Å; I1079-W1083 HydrophobicContact CG2-CZ3 4.07Å; I1079-V1084 HydrophobicContact CB-CG2 4.01Å; I1079-V1084 HydrophobicContact CG2-CG2 3.55Å |
| 1080 | A | 91 | Very high | 90.7 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | trans | -73.7 | 129 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | I996 V997 S1082 W1083 V1084 | I996-A1080 PolarHBondContact O-N 3.16Å; V997-A1080 HydrophobicContact CG2-CB 4.04Å; A1080-S1082 PolarHBondContact O-N 3.33Å; A1080-S1082 VanDerWaalsContact O-N 3.16Å; A1080-W1083 PolarHBondContact O-N 3.2Å; A1080-V1084 PolarHBondContact O-N 2.82Å | ||
| 1081 | P | 90.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -54 | -34.7 | 177.6 | -26.3 | 31.8 | 0 | 0 | 0 | 114.2 | I990 P991 V992 W1083 V1084 R1085 | I990-P1081 HydrophobicContact CG2-CG 3.77Å; P991-P1081 WeakPolarHBondContact O-CD 3.4Å; P991-P1081 WeakPolarHBondContact O-CG 3.39Å; V992-P1081 VanDerWaalsContact O-CD 3.29Å; V992-P1081 WeakPolarHBondContact O-CD 3.29Å; P1081-W1083 VanDerWaalsContact C-N 3.31Å; P1081-W1083 PolarHBondContact O-N 3.39Å; P1081-V1084 PolarHBondContact O-N 3.29Å; P1081-R1085 WeakPolarHBondContact O-CB 3.46Å; P1081-R1085 VanDerWaalsContact O-CG 3.32Å; P1081-R1085 WeakPolarHBondContact O-CG 3.24Å; P1081-R1085 PolarHBondContact O-N 3.48Å |
| 1082 | S | 89.3 | Confident | 90.5 | Very high | 32 Ų | 32 | 30.7 Ų | 30.7 | 22% | 0.224 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63 | -33.6 | 176.6 | 56.8 | 0 | 0 | 0 | 0 | 113.5 | V992 N993 A1080 K1086 | V992-S1082 WeakPolarHBondContact O-CB 3.4Å; V992-S1082 PolarHBondContact O-N 3.32Å; V992-S1082 PolarHBondContact O-OG 2.85Å; N993-S1082 WeakPolarHBondContact OD1-CB 3.1Å; N993-S1082 PolarHBondContact OD1-OG 3.41Å; A1080-S1082 PolarHBondContact O-N 3.33Å; A1080-S1082 VanDerWaalsContact O-N 3.16Å; S1082-K1086 VanDerWaalsContact O-CG 3.24Å; S1082-K1086 WeakPolarHBondContact O-CG 3.36Å; S1082-K1086 PolarHBondContact O-N 2.87Å |
| 1083 | W | 91.4 | Very high | 90.3 | Very high | 32 Ų | 32 | 32.9 Ų | 32.9 | 12% | 0.121 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -74.5 | -45.5 | 173.6 | -176.6 | 93.4 | 0 | 0 | 0 | 111 | V997 P998 F1002 I1079 A1080 P1081 R1085 K1086 Q1087 | V997-W1083 HydrophobicContact CG1-CB 4.38Å; V997-W1083 HydrophobicContact CG1-CG 4.11Å; P998-W1083 HydrophobicContact CB-CH2 4.14Å; P998-W1083 HydrophobicContact CB-CZ2 3.85Å; P998-W1083 HydrophobicContact CG-CD2 4.44Å; P998-W1083 HydrophobicContact CG-CE3 4.39Å; P998-W1083 HydrophobicContact CG-CH2 3.83Å; P998-W1083 HydrophobicContact CG-CZ2 3.9Å; P998-W1083 HydrophobicContact CG-CZ3 4.09Å; F1002-W1083 HydrophobicContact CB-CH2 3.87Å; F1002-W1083 HydrophobicContact CB-CZ2 4.27Å; F1002-W1083 HydrophobicContact CD2-CH2 4.43Å; F1002-W1083 HydrophobicContact CG-CH2 4.36Å; I1079-W1083 HydrophobicContact CD1-CZ3 4.39Å; I1079-W1083 HydrophobicContact CG2-CB 4.47Å; I1079-W1083 HydrophobicContact CG2-CD2 4.26Å; I1079-W1083 HydrophobicContact CG2-CE3 3.5Å; I1079-W1083 VanDerWaalsContact CG2-CE3 3.5Å; I1079-W1083 HydrophobicContact CG2-CZ3 4.07Å; A1080-W1083 PolarHBondContact O-N 3.2Å; P1081-W1083 VanDerWaalsContact C-N 3.31Å; P1081-W1083 PolarHBondContact O-N 3.39Å; W1083-R1085 VanDerWaalsContact C-N 3.34Å; W1083-R1085 PolarHBondContact O-N 2.8Å; W1083-K1086 PolarHBondContact O-N 3.11Å; W1083-Q1087 HydrophobicContact CD2-CG 4.38Å; W1083-Q1087 HydrophobicContact CE3-CG 4.31Å; W1083-Q1087 HydrophobicContact CH2-CG 4.28Å; W1083-Q1087 HydrophobicContact CZ2-CG 4.32Å; W1083-Q1087 HydrophobicContact CZ3-CG 4.27Å; W1083-Q1087 PolarHBondContact O-N 3.23Å |
| 1084 | V | 91.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -53.8 | -52.1 | 178.4 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | V1054 F1071 I1079 A1080 P1081 K1086 Q1087 I1088 | V1054-V1084 WeakPolarHBondContact O-CG1 3.15Å; F1071-V1084 HydrophobicContact CD2-CG1 4.48Å; F1071-V1084 HydrophobicContact CE2-CG1 3.75Å; F1071-V1084 HydrophobicContact CZ-CG1 4.07Å; I1079-V1084 HydrophobicContact CB-CG2 4.01Å; I1079-V1084 HydrophobicContact CG2-CG2 3.55Å; A1080-V1084 PolarHBondContact O-N 2.82Å; P1081-V1084 PolarHBondContact O-N 3.29Å; V1084-K1086 VanDerWaalsContact C-N 3.31Å; V1084-K1086 PolarHBondContact O-N 3.21Å; V1084-Q1087 PolarHBondContact O-N 2.79Å; V1084-I1088 HydrophobicContact CG1-CD1 3.94Å; V1084-I1088 WeakPolarHBondContact O-CG1 3.23Å |
| 1085 | R | 91.9 | Very high | 90 | Very high | 16 Ų | 16 | 33.4 Ų | 33.4 | 6% | 0.06 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67 | -30.7 | -175.5 | -66.6 | 175.2 | -164.5 | 149.7 | 1.5 | 112.7 | V230 L1055 R1056 P1081 W1083 Q1087 I1088 R1167 | V230-R1085 VanDerWaalsContact CG1-CZ 3.43Å; V230-R1085 WeakPolarHBondContact O-CD 3.33Å; L1055-R1085 PolarHBondContact O-NE 3.21Å; L1055-R1085 VanDerWaalsContact O-NE 3.16Å; R1056-R1085 PolarHBondContact O-NH2 3.16Å; P1081-R1085 WeakPolarHBondContact O-CB 3.46Å; P1081-R1085 VanDerWaalsContact O-CG 3.32Å; P1081-R1085 WeakPolarHBondContact O-CG 3.24Å; P1081-R1085 PolarHBondContact O-N 3.48Å; W1083-R1085 VanDerWaalsContact C-N 3.34Å; W1083-R1085 PolarHBondContact O-N 2.8Å; R1085-Q1087 VanDerWaalsContact C-N 3.27Å; R1085-Q1087 PolarHBondContact O-N 3.3Å; R1085-I1088 PolarHBondContact O-N 3.45Å; R1085-R1167 PolarHBondContact O-NH1 3.42Å |
| 1086 | K | 90.2 | Very high | 89.8 | Confident | 109 Ų | 109 | 34.7 Ų | 34.7 | 47% | 0.474 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -63.3 | -30.9 | 175.8 | -81.1 | 176.7 | -179.7 | -170.4 | 0 | 113.2 | S1082 W1083 V1084 I1088 | S1082-K1086 VanDerWaalsContact O-CG 3.24Å; S1082-K1086 WeakPolarHBondContact O-CG 3.36Å; S1082-K1086 PolarHBondContact O-N 2.87Å; W1083-K1086 PolarHBondContact O-N 3.11Å; V1084-K1086 VanDerWaalsContact C-N 3.31Å; V1084-K1086 PolarHBondContact O-N 3.21Å; K1086-I1088 VanDerWaalsContact C-N 3.27Å; K1086-I1088 PolarHBondContact O-N 3.24Å |
| 1087 | Q | 91.3 | Very high | 89.9 | Confident | 43 Ų | 43 | 34.9 Ų | 34.9 | 20% | 0.201 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -12.4 | 179.4 | -53.3 | -52.2 | -33.9 | 0 | 0 | 113.4 | F1002 W1083 V1084 R1085 V1170 L1171 | F1002-Q1087 HydrophobicContact CB-CG 4.14Å; F1002-Q1087 HydrophobicContact CD1-CB 3.9Å; F1002-Q1087 HydrophobicContact CD1-CG 4.29Å; F1002-Q1087 HydrophobicContact CG-CG 4.48Å; W1083-Q1087 HydrophobicContact CD2-CG 4.38Å; W1083-Q1087 HydrophobicContact CE3-CG 4.31Å; W1083-Q1087 HydrophobicContact CH2-CG 4.28Å; W1083-Q1087 HydrophobicContact CZ2-CG 4.32Å; W1083-Q1087 HydrophobicContact CZ3-CG 4.27Å; W1083-Q1087 PolarHBondContact O-N 3.23Å; V1084-Q1087 PolarHBondContact O-N 2.79Å; R1085-Q1087 VanDerWaalsContact C-N 3.27Å; R1085-Q1087 PolarHBondContact O-N 3.3Å; Q1087-V1170 PolarHBondContact O-N 2.91Å; Q1087-L1171 PolarHBondContact O-N 2.84Å |
| 1088 | I | 92.6 | Very high | 90 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 132 | -171.3 | -56.6 | 168.3 | 0 | 0 | 0 | 110.5 | V1054 L1055 F1071 V1084 R1085 K1086 R1167 L1171 V1173 | V1054-I1088 HydrophobicContact CG1-CD1 4.04Å; L1055-I1088 HydrophobicContact CD2-CB 4.27Å; L1055-I1088 HydrophobicContact CD2-CD1 4.04Å; L1055-I1088 HydrophobicContact CD2-CG2 3.75Å; F1071-I1088 HydrophobicContact CE2-CD1 4.24Å; F1071-I1088 HydrophobicContact CZ-CD1 4.05Å; V1084-I1088 HydrophobicContact CG1-CD1 3.94Å; V1084-I1088 WeakPolarHBondContact O-CG1 3.23Å; R1085-I1088 PolarHBondContact O-N 3.45Å; K1086-I1088 VanDerWaalsContact C-N 3.27Å; K1086-I1088 PolarHBondContact O-N 3.24Å; I1088-R1167 WeakPolarHBondContact O-CD 3.45Å; I1088-R1167 PolarHBondContact O-NH1 2.93Å; I1088-L1171 CarbonylContact C-O 3.54Å; I1088-L1171 VanDerWaalsContact CA-O 3.3Å; I1088-L1171 WeakPolarHBondContact CA-O 3.29Å; I1088-L1171 HydrophobicContact CG1-CB 4.48Å; I1088-L1171 HydrophobicContact CG1-CD2 4.16Å; I1088-V1173 HydrophobicContact CG2-CB 4.04Å; I1088-V1173 HydrophobicContact CG2-CG2 3.59Å |
| 1089 | G | 92.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 120 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | L1171 V1173 | G1089-L1171 PolarHBondContact N-O 3.46Å; G1089-V1173 PolarHBondContact O-N 3.35Å |
| 1090 | L | 93.1 | Very high | 89.9 | Confident | 14 Ų | 14 | 32.8 Ų | 32.8 | 7% | 0.073 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 129.5 | 179.9 | 175.8 | 61.7 | 0 | 0 | 0 | 110.6 | A231 L1055 V1173 | A231-L1090 HydrophobicContact CB-CD2 3.77Å; L1055-L1090 HydrophobicContact CD1-CD1 3.98Å; L1055-L1090 HydrophobicContact CD1-CD2 3.86Å; L1055-L1090 HydrophobicContact CD1-CG 4.45Å; L1090-V1173 HydrophobicContact CD1-CB 4.36Å; L1090-V1173 HydrophobicContact CD1-CG1 3.94Å |
| 1091 | V | 92.6 | Very high | 90 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 110 | 165.9 | -174.7 | 0 | 0 | 0 | 0 | 108 | Q1157 I1161 A1164 V1173 L1174 D1175 A1177 | V1091-Q1157 VanDerWaalsContact CG1-NE2 3.32Å; V1091-I1161 HydrophobicContact CG1-CG1 4.09Å; V1091-I1161 HydrophobicContact CG2-CG1 4.11Å; V1091-A1164 HydrophobicContact CG2-CB 3.92Å; V1091-V1173 PolarHBondContact N-O 3.06Å; V1091-L1174 HydrophobicContact CB-CD2 3.64Å; V1091-L1174 HydrophobicContact CG1-CD2 4.49Å; V1091-L1174 HydrophobicContact CG2-CD2 3.69Å; V1091-D1175 PolarHBondContact O-N 3.14Å; V1091-A1177 HydrophobicContact CG1-CB 3.87Å |
| 1092 | S | 89.5 | Confident | 90.2 | Very high | 34 Ų | 34 | 33.2 Ų | 33.2 | 24% | 0.238 | 17% | 0.168 | C | C | . | . | trans | -86.5 | 163.8 | -178.3 | -52.4 | 0 | 0 | 0 | 0 | 112.2 | Q1157 D1175 | S1092-Q1157 PolarHBondContact O-NE2 2.93Å; S1092-D1175 CarbonylContact C-O 3.53Å | ||
| 1093 | Q | 85.8 | Confident | 90.5 | Very high | 84 Ų | 84 | 35.9 Ų | 35.9 | 39% | 0.393 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -54.1 | -53.5 | 173.2 | 169.5 | 163.1 | 51.6 | 0 | 0 | 112.4 | D1175 E1176 S1179 | Q1093-D1175 VanDerWaalsContact CA-O 3.29Å; Q1093-D1175 WeakPolarHBondContact CA-O 3.38Å; Q1093-D1175 PolarHBondContact N-O 3.4Å; Q1093-E1176 HydrophobicContact CB-CB 4.22Å; Q1093-E1176 HydrophobicContact CG-CB 4.47Å; Q1093-E1176 PolarHBondContact NE2-OE2 3.47Å; Q1093-S1179 VanDerWaalsContact CG-OG 3.24Å; Q1093-S1179 WeakPolarHBondContact CG-OG 3.38Å; Q1093-S1179 PolarHBondContact NE2-OG 2.98Å |
| 1094 | E | 84 | Confident | 90.6 | Very high | 153 Ų | 153 | 37.9 Ų | 37.9 | 72% | 0.715 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -111.1 | 105.7 | 173.1 | -69.3 | -170 | 171.4 | 0 | 0 | 109.9 | T1096 | E1094-T1096 PolarHBondContact O-N 3.21Š|
| 1095 | P | 85.8 | Confident | 90.7 | Very high | 21 Ų | 21 | 37.9 Ų | 37.9 | 14% | 0.136 | 18% | 0.184 | C | C | . | . | trans | -75.2 | 115.2 | -176 | 31.2 | -36.3 | 0 | 0 | 0 | 110 | L1097 K1156 A1160 | P1095-L1097 PolarHBondContact O-N 3.14Å; P1095-K1156 HydrophobicContact CG-CB 3.64Å; P1095-A1160 HydrophobicContact CB-CB 3.51Å | ||
| 1096 | T | 86.2 | Confident | 90.9 | Very high | 45 Ų | 45 | 37.1 Ų | 37.1 | 28% | 0.276 | 18% | 0.181 | S | C | . | . | trans | -80 | 113.6 | 174 | 54.1 | 0 | 0 | 0 | 0 | 110.4 | T228 E1094 R1163 | T228-T1096 WeakPolarHBondContact CB-OG1 3.12Å; T228-T1096 PolarHBondContact OG1-OG1 3.34Å; E1094-T1096 PolarHBondContact O-N 3.21Å; T1096-R1163 PolarHBondContact O-NH1 3.48Å; T1096-R1163 PolarHBondContact O-NH2 3.26Å | ||
| 1097 | L | 90.8 | Very high | 91.1 | Very high | 5 Ų | 5 | 32.8 Ų | 32.8 | 3% | 0.026 | 17% | 0.165 | C | C | . | . | trans | -96.3 | 135 | 169.2 | -50.6 | -173.3 | 0 | 0 | 0 | 109.5 | P1095 N1105 V1144 R1147 L1151 K1156 I1159 | P1095-L1097 PolarHBondContact O-N 3.14Å; L1097-N1105 WeakPolarHBondContact CA-OD1 3.46Å; L1097-V1144 HydrophobicContact CB-CG2 3.96Å; L1097-V1144 HydrophobicContact CD1-CB 4.33Å; L1097-V1144 HydrophobicContact CD1-CG1 4.38Å; L1097-V1144 HydrophobicContact CD1-CG2 4.33Å; L1097-R1147 WeakPolarHBondContact O-CA 3.45Å; L1097-R1147 PolarHBondContact O-N 2.91Å; L1097-L1151 HydrophobicContact CD1-CD1 3.89Å; L1097-K1156 HydrophobicContact CD1-CB 4.22Å; L1097-K1156 HydrophobicContact CD1-CG 4Å; L1097-I1159 HydrophobicContact CD1-CB 4.49Å; L1097-I1159 HydrophobicContact CD1-CD1 4.11Å; L1097-I1159 HydrophobicContact CD1-CG2 4.3Å; L1097-I1159 HydrophobicContact CD2-CB 4.3Å; L1097-I1159 HydrophobicContact CD2-CG2 3.77Å | ||
| 1098 | F | 89.8 | Confident | 91.2 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | trans | -77.1 | 155.1 | 174.6 | -59 | -78.9 | 0 | 0 | 0 | 110 | E221 A225 T228 V229 L1100 N1105 Y1108 V1144 | E221-F1098 HydrophobicContact CG-CD1 4.11Å; E221-F1098 WeakPolarHBondContact OE1-CA 3.5Å; E221-F1098 WeakPolarHBondContact OE1-CB 3.47Å; A225-F1098 HydrophobicContact CB-CE1 3.86Å; A225-F1098 HydrophobicContact CB-CZ 4.31Å; T228-F1098 HydrophobicContact CG2-CE2 4.32Å; T228-F1098 HydrophobicContact CG2-CZ 4.33Å; V229-F1098 HydrophobicContact CG2-CE1 3.87Å; V229-F1098 HydrophobicContact CG2-CZ 3.67Å; F1098-L1100 HydrophobicContact CB-CB 4.46Å; F1098-L1100 HydrophobicContact CB-CD1 3.9Å; F1098-L1100 HydrophobicContact CB-CG 3.94Å; F1098-L1100 PolarHBondContact O-N 3.37Å; F1098-N1105 PolarHBondContact N-OD1 2.96Å; F1098-N1105 PolarHBondContact O-ND2 3.48Å; F1098-Y1108 HydrophobicContact CD2-CD1 4.39Å; F1098-Y1108 HydrophobicContact CD2-CD2 4.25Å; F1098-Y1108 HydrophobicContact CD2-CE1 4.41Å; F1098-Y1108 HydrophobicContact CD2-CE2 4.26Å; F1098-Y1108 HydrophobicContact CD2-CG 4.3Å; F1098-Y1108 AromaticContact CE2-CD1 3.67Å; F1098-Y1108 HydrophobicContact CE2-CD1 3.67Å; F1098-Y1108 HydrophobicContact CE2-CD2 4.17Å; F1098-Y1108 AromaticContact CE2-CE1 3.44Å; F1098-Y1108 HydrophobicContact CE2-CE1 3.44Å; F1098-Y1108 VanDerWaalsContact CE2-CE1 3.44Å; F1098-Y1108 AromaticContact CE2-CE2 3.96Å; F1098-Y1108 HydrophobicContact CE2-CE2 3.96Å; F1098-Y1108 HydrophobicContact CE2-CG 4.02Å; F1098-Y1108 AromaticContact CE2-CZ 3.58Å; F1098-Y1108 HydrophobicContact CZ-CD1 4.48Å; F1098-Y1108 AromaticContact CZ-CE1 3.82Å; F1098-Y1108 HydrophobicContact CZ-CE1 3.82Å; F1098-Y1108 HydrophobicContact CZ-CE2 4.44Å; F1098-Y1108 AromaticContact CZ-CZ 3.78Å; F1098-V1144 WeakPolarHBondContact O-CG2 3.32Å | ||
| 1099 | D | 87.4 | Confident | 91.1 | Very high | 68 Ų | 68 | 30.6 Ų | 30.6 | 36% | 0.364 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -72.3 | 61.8 | 174.8 | -167.9 | 22.6 | 0 | 0 | 0 | 111.5 | E221 G1145 Q1146 | E221-D1099 PolarHBondContact OE1-N 3.02Å; D1099-G1145 VanDerWaalsContact OD1-CA 3.22Å; D1099-G1145 WeakPolarHBondContact OD1-CA 3.28Å; D1099-Q1146 HydrophobicContact CB-CG 4.11Å |
| 1100 | L | 89.6 | Confident | 91.1 | Very high | 28 Ų | 28 | 31.5 Ų | 31.5 | 15% | 0.147 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -128.9 | 176.3 | -177.3 | -65 | 180 | 0 | 0 | 0 | 108.8 | F1098 E1104 N1105 V1144 | F1098-L1100 HydrophobicContact CB-CB 4.46Å; F1098-L1100 HydrophobicContact CB-CD1 3.9Å; F1098-L1100 HydrophobicContact CB-CG 3.94Å; F1098-L1100 PolarHBondContact O-N 3.37Å; L1100-E1104 HydrophobicContact CB-CB 3.82Å; L1100-E1104 WeakPolarHBondContact CB-OE2 3.27Å; L1100-E1104 HydrophobicContact CD1-CB 4.2Å; L1100-N1105 PolarHBondContact O-ND2 3.05Å; L1100-V1144 PolarHBondContact O-N 3.46Å |
| 1101 | T | 93.9 | Very high | 90.9 | Very high | 10 Ų | 10 | 32.7 Ų | 32.7 | 6% | 0.061 | 17% | 0.166 | C | C | . | . | B | Isolated β-bridge | trans | -69.7 | 164 | 173.7 | 71.2 | 0 | 0 | 0 | 0 | 111.4 | R1103 E1104 N1105 E1141 T1142 K1143 | T1101-R1103 VanDerWaalsContact C-N 3.26Å; T1101-R1103 PolarHBondContact O-N 2.95Å; T1101-E1104 PolarHBondContact N-OE2 2.87Å; T1101-E1104 PolarHBondContact O-N 3.35Å; T1101-E1104 WeakPolarHBondContact OG1-CG 3.41Å; T1101-E1104 PolarHBondContact OG1-N 2.96Å; T1101-E1104 PolarHBondContact OG1-OE2 2.96Å; T1101-N1105 WeakPolarHBondContact O-CB 3.37Å; T1101-N1105 PolarHBondContact O-N 3.5Å; T1101-N1105 PolarHBondContact O-ND2 3.06Å; T1101-E1141 WeakPolarHBondContact CG2-O 3.4Å; T1101-T1142 WeakPolarHBondContact CA-O 3.41Å; T1101-K1143 HydrophobicContact CG2-CG 4.29Å |
| 1102 | I | 94.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.8 | -42.5 | 173.5 | -66.9 | 171.5 | 0 | 0 | 0 | 110.1 | E1104 N1105 I1106 I1133 L1136 Y1140 T1142 V1144 I1159 | I1102-E1104 PolarHBondContact O-N 3.42Å; I1102-N1105 PolarHBondContact O-N 3.07Å; I1102-I1106 HydrophobicContact CG2-CD1 3.81Å; I1102-I1106 HydrophobicContact CG2-CG1 4.42Å; I1102-I1106 WeakPolarHBondContact O-CG1 3.37Å; I1102-I1106 PolarHBondContact O-N 3.39Å; I1102-I1133 HydrophobicContact CD1-CG1 4.27Å; I1102-I1133 HydrophobicContact CG2-CD1 3.67Å; I1102-I1133 HydrophobicContact CG2-CG1 4.14Å; I1102-L1136 HydrophobicContact CD1-CD1 3.56Å; I1102-Y1140 HydrophobicContact CG2-CD1 4.32Å; I1102-Y1140 PolarHBondContact N-O 3.48Å; I1102-T1142 PolarHBondContact N-O 3.38Å; I1102-V1144 HydrophobicContact CB-CG1 4.46Å; I1102-V1144 HydrophobicContact CD1-CG1 4.41Å; I1102-V1144 HydrophobicContact CG1-CG1 3.42Å; I1102-V1144 VanDerWaalsContact CG1-CG1 3.42Å; I1102-I1159 HydrophobicContact CG1-CD1 4.35Å; I1102-I1159 HydrophobicContact CG2-CD1 4.3Å |
| 1103 | R | 95.4 | Very high | 90.6 | Very high | 88 Ų | 88 | 39.4 Ų | 39.4 | 33% | 0.332 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -51.6 | -53.4 | 173.8 | -176.1 | -174.7 | 62.9 | -155.2 | -13.5 | 111.7 | T1101 N1105 I1106 A1107 M1117 I1120 Y1140 E1141 | T1101-R1103 VanDerWaalsContact C-N 3.26Å; T1101-R1103 PolarHBondContact O-N 2.95Å; R1103-N1105 VanDerWaalsContact C-N 3.34Å; R1103-N1105 PolarHBondContact O-N 3.04Å; R1103-I1106 PolarHBondContact O-N 3.47Å; R1103-A1107 VanDerWaalsContact O-CB 3.31Å; R1103-A1107 WeakPolarHBondContact O-CB 3.33Å; R1103-A1107 PolarHBondContact O-N 3.18Å; R1103-M1117 HydrophobicContact CG-SD 4.22Å; R1103-I1120 HydrophobicContact CG-CD1 3.66Å; R1103-Y1140 PolarHBondContact N-O 2.79Å; R1103-E1141 VanDerWaalsContact CZ-CD 3.42Å; R1103-E1141 IonicContact CZ-OE1 3.73Å; R1103-E1141 IonicContact CZ-OE2 2.95Å; R1103-E1141 IonicContact NE-OE1 3.68Å; R1103-E1141 PolarHBondContact NE-OE1 3.48Å; R1103-E1141 VanDerWaalsContact NH1-CD 3.29Å; R1103-E1141 IonicContact NH1-OE1 2.78Å; R1103-E1141 PolarHBondContact NH1-OE1 3.28Å; R1103-E1141 IonicContact NH1-OE2 3.7Å; R1103-E1141 PolarHBondContact NH1-OE2 2.96Å; R1103-E1141 IonicContact NH2-OE1 3.13Å; R1103-E1141 PolarHBondContact NH2-OE1 2.88Å; R1103-E1141 IonicContact NH2-OE2 3.88Å; R1103-E1141 PolarHBondContact NH2-OE2 3.37Å |
| 1104 | E | 93.8 | Very high | 90.8 | Very high | 74 Ų | 74 | 44.3 Ų | 44.3 | 35% | 0.346 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.9 | -35.8 | -176.9 | -71.4 | 172.8 | 146.1 | 0 | 0 | 112.3 | L1100 T1101 I1102 Y1108 | L1100-E1104 HydrophobicContact CB-CB 3.82Å; L1100-E1104 WeakPolarHBondContact CB-OE2 3.27Å; L1100-E1104 HydrophobicContact CD1-CB 4.2Å; T1101-E1104 PolarHBondContact N-OE2 2.87Å; T1101-E1104 PolarHBondContact O-N 3.35Å; T1101-E1104 WeakPolarHBondContact OG1-CG 3.41Å; T1101-E1104 PolarHBondContact OG1-N 2.96Å; T1101-E1104 PolarHBondContact OG1-OE2 2.96Å; I1102-E1104 PolarHBondContact O-N 3.42Å; E1104-Y1108 WeakPolarHBondContact O-CB 3.46Å; E1104-Y1108 PolarHBondContact O-N 3.48Å |
| 1105 | N | 94.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.2 | -35.3 | 175.7 | -91.6 | -81 | 0 | 0 | 0 | 112.9 | L1097 F1098 L1100 T1101 I1102 R1103 I1159 R1163 | L1097-N1105 WeakPolarHBondContact CA-OD1 3.46Å; F1098-N1105 PolarHBondContact N-OD1 2.96Å; F1098-N1105 PolarHBondContact O-ND2 3.48Å; L1100-N1105 PolarHBondContact O-ND2 3.05Å; T1101-N1105 WeakPolarHBondContact O-CB 3.37Å; T1101-N1105 PolarHBondContact O-N 3.5Å; T1101-N1105 PolarHBondContact O-ND2 3.06Å; I1102-N1105 PolarHBondContact O-N 3.07Å; R1103-N1105 VanDerWaalsContact C-N 3.34Å; R1103-N1105 PolarHBondContact O-N 3.04Å; N1105-I1159 HydrophobicContact CB-CG2 4.32Å; N1105-R1163 WeakPolarHBondContact O-CG 3.47Å; N1105-R1163 PolarHBondContact O-NE 3.42Å; N1105-R1163 PolarHBondContact OD1-NH2 2.93Å |
| 1106 | I | 95.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -74.9 | -46.5 | 175.4 | -66.6 | 172.3 | 0 | 0 | 0 | 109.8 | I1102 R1103 Y1108 G1109 I1120 A1124 I1133 Y1140 I1159 A1162 V1166 | I1102-I1106 HydrophobicContact CG2-CD1 3.81Å; I1102-I1106 HydrophobicContact CG2-CG1 4.42Å; I1102-I1106 WeakPolarHBondContact O-CG1 3.37Å; I1102-I1106 PolarHBondContact O-N 3.39Å; R1103-I1106 PolarHBondContact O-N 3.47Å; I1106-Y1108 PolarHBondContact O-N 2.93Å; I1106-G1109 PolarHBondContact O-N 3.01Å; I1106-G1109 VanDerWaalsContact O-N 3.09Å; I1106-I1120 HydrophobicContact CB-CG2 4.11Å; I1106-I1120 HydrophobicContact CD1-CG2 4.2Å; I1106-I1120 HydrophobicContact CG2-CB 4.35Å; I1106-I1120 HydrophobicContact CG2-CG1 4.35Å; I1106-I1120 HydrophobicContact CG2-CG2 3.82Å; I1106-A1124 HydrophobicContact CD1-CB 4.32Å; I1106-I1133 HydrophobicContact CD1-CD1 4.33Å; I1106-Y1140 HydrophobicContact CD1-CE1 4.23Å; I1106-I1159 HydrophobicContact CG1-CG2 4.08Å; I1106-A1162 HydrophobicContact CD1-CB 4.13Å; I1106-A1162 HydrophobicContact CG1-CB 4.08Å; I1106-A1162 HydrophobicContact CG2-CB 4.19Å; I1106-V1166 HydrophobicContact CG2-CG2 3.38Å |
| 1107 | A | 94.8 | Very high | 92 | Very high | 17 Ų | 17 | 42 Ų | 42 | 14% | 0.14 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61 | -24.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R1103 G1109 D1110 V1115 I1120 | R1103-A1107 VanDerWaalsContact O-CB 3.31Å; R1103-A1107 WeakPolarHBondContact O-CB 3.33Å; R1103-A1107 PolarHBondContact O-N 3.18Å; A1107-G1109 PolarHBondContact O-N 3.23Å; A1107-D1110 PolarHBondContact O-N 3.47Å; A1107-D1110 VanDerWaalsContact O-N 3.14Å; A1107-V1115 HydrophobicContact CB-CB 4.25Å; A1107-V1115 HydrophobicContact CB-CG2 4.45Å; A1107-I1120 HydrophobicContact CB-CD1 3.97Å |
| 1108 | Y | 93.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -16.8 | 174.3 | -153.4 | -92 | 0 | 0 | 0 | 113.7 | F232 K237 E238 F1098 E1104 I1106 D1110 N1111 | F232-Y1108 HydrophobicContact CB-CD1 4.02Å; F232-Y1108 HydrophobicContact CB-CE1 4.14Å; F232-Y1108 HydrophobicContact CG-CD1 4.44Å; K237-Y1108 HydrophobicContact CD-CE2 4.24Å; E238-Y1108 WeakPolarHBondContact CG-OH 3.47Å; E238-Y1108 VanDerWaalsContact OE1-CE2 3.22Å; E238-Y1108 WeakPolarHBondContact OE1-CE2 3.42Å; E238-Y1108 PolarHBondContact OE1-OH 3.49Å; F1098-Y1108 HydrophobicContact CD2-CD1 4.39Å; F1098-Y1108 HydrophobicContact CD2-CD2 4.25Å; F1098-Y1108 HydrophobicContact CD2-CE1 4.41Å; F1098-Y1108 HydrophobicContact CD2-CE2 4.26Å; F1098-Y1108 HydrophobicContact CD2-CG 4.3Å; F1098-Y1108 AromaticContact CE2-CD1 3.67Å; F1098-Y1108 HydrophobicContact CE2-CD1 3.67Å; F1098-Y1108 HydrophobicContact CE2-CD2 4.17Å; F1098-Y1108 AromaticContact CE2-CE1 3.44Å; F1098-Y1108 HydrophobicContact CE2-CE1 3.44Å; F1098-Y1108 VanDerWaalsContact CE2-CE1 3.44Å; F1098-Y1108 AromaticContact CE2-CE2 3.96Å; F1098-Y1108 HydrophobicContact CE2-CE2 3.96Å; F1098-Y1108 HydrophobicContact CE2-CG 4.02Å; F1098-Y1108 AromaticContact CE2-CZ 3.58Å; F1098-Y1108 HydrophobicContact CZ-CD1 4.48Å; F1098-Y1108 AromaticContact CZ-CE1 3.82Å; F1098-Y1108 HydrophobicContact CZ-CE1 3.82Å; F1098-Y1108 HydrophobicContact CZ-CE2 4.44Å; F1098-Y1108 AromaticContact CZ-CZ 3.78Å; E1104-Y1108 WeakPolarHBondContact O-CB 3.46Å; E1104-Y1108 PolarHBondContact O-N 3.48Å; I1106-Y1108 PolarHBondContact O-N 2.93Å; Y1108-D1110 PolarHBondContact O-N 3.42Å; Y1108-N1111 PolarHBondContact O-ND2 3.02Å |
| 1109 | G | 90.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -33.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | I1106 A1107 R1163 R1167 | I1106-G1109 PolarHBondContact O-N 3.01Å; I1106-G1109 VanDerWaalsContact O-N 3.09Å; A1107-G1109 PolarHBondContact O-N 3.23Å; G1109-R1163 WeakPolarHBondContact CA-O 3.42Å; G1109-R1167 PolarHBondContact O-NE 3.27Å; G1109-R1167 PolarHBondContact O-NH2 3.14Å |
| 1110 | D | 91.6 | Very high | 92.7 | Very high | 19 Ų | 19 | 48.1 Ų | 48.1 | 10% | 0.102 | 24% | 0.239 | C | C | . | . | trans | -131.1 | 99.1 | 176.9 | -172.4 | -1 | 0 | 0 | 0 | 110.3 | A1107 Y1108 S1112 R1113 V1115 V1166 R1167 | A1107-D1110 PolarHBondContact O-N 3.47Å; A1107-D1110 VanDerWaalsContact O-N 3.14Å; Y1108-D1110 PolarHBondContact O-N 3.42Å; D1110-S1112 VanDerWaalsContact C-N 3.31Å; D1110-S1112 WeakPolarHBondContact OD1-CB 3.47Å; D1110-S1112 PolarHBondContact OD1-N 2.93Å; D1110-S1112 PolarHBondContact OD1-OG 3.49Å; D1110-R1113 WeakPolarHBondContact OD2-CG 3.47Å; D1110-R1113 IonicContact OD2-CZ 2.74Å; D1110-R1113 IonicContact OD2-NE 2.82Å; D1110-R1113 PolarHBondContact OD2-NE 2.83Å; D1110-V1115 HydrophobicContact CB-CG2 3.99Å; D1110-V1166 HydrophobicContact CB-CG1 4.42Å; D1110-R1167 HydrophobicContact CB-CB 4.22Å | ||
| 1111 | N | 90.1 | Very high | 93 | Very high | 38 Ų | 38 | 48.8 Ų | 48.8 | 20% | 0.203 | 24% | 0.242 | C | C | . | . | trans | -88.1 | 3.4 | 177.2 | -64.4 | -60.7 | 0 | 0 | 0 | 113.1 | F232 K237 Y1108 | F232-N1111 PolarHBondContact O-ND2 2.92Å; F232-N1111 VanDerWaalsContact O-ND2 3.1Å; K237-N1111 WeakPolarHBondContact CD-OD1 3.45Å; K237-N1111 PolarHBondContact NZ-OD1 3.31Å; K237-N1111 VanDerWaalsContact NZ-OD1 3.14Å; Y1108-N1111 PolarHBondContact O-ND2 3.02Å | ||
| 1112 | S | 85.5 | Confident | 93 | Very high | 76 Ų | 76 | 53.7 Ų | 53.7 | 53% | 0.531 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -84.4 | -18 | -179.2 | 72.5 | 0 | 0 | 0 | 0 | 113.8 | D1110 | D1110-S1112 VanDerWaalsContact C-N 3.31Å; D1110-S1112 WeakPolarHBondContact OD1-CB 3.47Å; D1110-S1112 PolarHBondContact OD1-N 2.93Å; D1110-S1112 PolarHBondContact OD1-OG 3.49Å |
| 1113 | R | 90.2 | Very high | 93 | Very high | 100 Ų | 100 | 54 Ų | 54 | 38% | 0.377 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -147.1 | 168.3 | 179.1 | 66.1 | -175 | -178.6 | 101.2 | -9.3 | 110.1 | D1110 E1119 | D1110-R1113 WeakPolarHBondContact OD2-CG 3.47Å; D1110-R1113 IonicContact OD2-CZ 2.74Å; D1110-R1113 IonicContact OD2-NE 2.82Å; D1110-R1113 PolarHBondContact OD2-NE 2.83Å; R1113-E1119 IonicContact CZ-OE1 3.58Å; R1113-E1119 IonicContact CZ-OE2 3.4Å; R1113-E1119 VanDerWaalsContact CZ-OE2 3.26Å; R1113-E1119 IonicContact NH1-OE1 3.6Å; R1113-E1119 PolarHBondContact NH1-OE1 3.28Å; R1113-E1119 IonicContact NH1-OE2 2.85Å; R1113-E1119 PolarHBondContact NH1-OE2 3.29Å; R1113-E1119 IonicContact NH2-OE1 2.78Å; R1113-E1119 PolarHBondContact NH2-OE1 2.95Å; R1113-E1119 IonicContact NH2-OE2 2.93Å; R1113-E1119 PolarHBondContact NH2-OE2 3.04Å |
| 1114 | E | 88.7 | Confident | 93 | Very high | 188 Ų | 188 | 49.8 Ų | 49.8 | 88% | 0.879 | 25% | 0.251 | S | S | * | . | P | Polyproline II helix | trans | -79.5 | 124.3 | 165.7 | -67.2 | -174.3 | 169.3 | 0 | 0 | 109.3 | ||
| 1115 | V | 91.9 | Very high | 93 | Very high | 24 Ų | 24 | 53.6 Ų | 53.6 | 15% | 0.145 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -84.3 | 131.2 | -179.2 | -177 | 0 | 0 | 0 | 0 | 109 | A1107 D1110 E1119 I1120 V1166 | A1107-V1115 HydrophobicContact CB-CB 4.25Å; A1107-V1115 HydrophobicContact CB-CG2 4.45Å; D1110-V1115 HydrophobicContact CB-CG2 3.99Å; V1115-E1119 HydrophobicContact CG1-CB 3.87Å; V1115-E1119 WeakPolarHBondContact CG1-OE2 3.34Å; V1115-I1120 HydrophobicContact CB-CG1 4.49Å; V1115-I1120 HydrophobicContact CG1-CD1 4.39Å; V1115-I1120 HydrophobicContact CG1-CG1 3.78Å; V1115-V1166 HydrophobicContact CB-CG1 4.3Å; V1115-V1166 HydrophobicContact CG1-CG1 3.54Å; V1115-V1166 HydrophobicContact CG2-CG1 3.78Å |
| 1116 | T | 94.9 | Very high | 92.8 | Very high | 72 Ų | 72 | 55.7 Ų | 55.7 | 44% | 0.442 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 154.9 | -179.6 | 65.9 | 0 | 0 | 0 | 0 | 110.9 | E1118 E1119 I1120 | T1116-E1118 PolarHBondContact O-N 3.44Å; T1116-E1119 PolarHBondContact N-OE2 2.75Å; T1116-E1119 PolarHBondContact O-N 3.39Å; T1116-E1119 WeakPolarHBondContact OG1-CG 3.23Å; T1116-I1120 WeakPolarHBondContact O-CG1 3.11Å; T1116-I1120 PolarHBondContact O-N 3.19Å; T1116-I1120 VanDerWaalsContact O-N 3.17Å |
| 1117 | M | 94.2 | Very high | 92.7 | Very high | 75 Ų | 75 | 55.7 Ų | 55.7 | 37% | 0.369 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.2 | -32 | 178.7 | -170.8 | 63.7 | -176.8 | 0 | 0 | 112.4 | R1103 I1120 I1121 Y1140 | R1103-M1117 HydrophobicContact CG-SD 4.22Å; M1117-I1120 PolarHBondContact O-N 2.91Å; M1117-I1120 HydrophobicContact SD-CB 4.47Å; M1117-I1120 HydrophobicContact SD-CD1 4.45Å; M1117-I1120 HydrophobicContact SD-CG2 4.47Å; M1117-I1121 HydrophobicContact CE-CD1 4.1Å; M1117-I1121 HydrophobicContact CE-CG1 4.11Å; M1117-I1121 HydrophobicContact CG-CD1 4.03Å; M1117-I1121 HydrophobicContact CG-CG1 4.48Å; M1117-I1121 WeakPolarHBondContact O-CG1 3.42Å; M1117-I1121 PolarHBondContact O-N 2.78Å; M1117-Y1140 HydrophobicContact CE-CD1 3.96Å; M1117-Y1140 HydrophobicContact CE-CD2 3.44Å; M1117-Y1140 VanDerWaalsContact CE-CD2 3.44Å; M1117-Y1140 HydrophobicContact CE-CE1 4.45Å; M1117-Y1140 HydrophobicContact CE-CE2 4Å; M1117-Y1140 HydrophobicContact CE-CG 3.43Å; M1117-Y1140 VanDerWaalsContact CE-CG 3.43Å |
| 1118 | E | 94.3 | Very high | 92.6 | Very high | 161 Ų | 161 | 58.2 Ų | 58.2 | 75% | 0.752 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -61.1 | -45.2 | 176.4 | -66.5 | 178.5 | 177.6 | 0 | 0 | 111.4 | T1116 I1120 I1121 E1122 | T1116-E1118 PolarHBondContact O-N 3.44Å; E1118-I1120 PolarHBondContact O-N 3.36Å; E1118-I1121 PolarHBondContact O-N 3.41Å; E1118-E1122 WeakPolarHBondContact O-CB 3.47Å; E1118-E1122 PolarHBondContact O-N 3.11Å |
| 1119 | E | 94.4 | Very high | 92.6 | Very high | 37 Ų | 37 | 58.2 Ų | 58.2 | 17% | 0.173 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.3 | -36.8 | 176.6 | -69.2 | 176.3 | 142.1 | 0 | 0 | 112.2 | R1113 V1115 T1116 I1121 E1122 A1123 | R1113-E1119 IonicContact CZ-OE1 3.58Å; R1113-E1119 IonicContact CZ-OE2 3.4Å; R1113-E1119 VanDerWaalsContact CZ-OE2 3.26Å; R1113-E1119 IonicContact NH1-OE1 3.6Å; R1113-E1119 PolarHBondContact NH1-OE1 3.28Å; R1113-E1119 IonicContact NH1-OE2 2.85Å; R1113-E1119 PolarHBondContact NH1-OE2 3.29Å; R1113-E1119 IonicContact NH2-OE1 2.78Å; R1113-E1119 PolarHBondContact NH2-OE1 2.95Å; R1113-E1119 IonicContact NH2-OE2 2.93Å; R1113-E1119 PolarHBondContact NH2-OE2 3.04Å; V1115-E1119 HydrophobicContact CG1-CB 3.87Å; V1115-E1119 WeakPolarHBondContact CG1-OE2 3.34Å; T1116-E1119 PolarHBondContact N-OE2 2.75Å; T1116-E1119 PolarHBondContact O-N 3.39Å; T1116-E1119 WeakPolarHBondContact OG1-CG 3.23Å; E1119-I1121 VanDerWaalsContact C-N 3.34Å; E1119-E1122 PolarHBondContact O-N 3.13Å; E1119-A1123 WeakPolarHBondContact O-CB 3.47Å; E1119-A1123 PolarHBondContact O-N 3.45Å |
| 1120 | I | 95.1 | Very high | 92.8 | Very high | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 175.4 | -66.4 | 171.9 | 0 | 0 | 0 | 110.4 | R1103 I1106 A1107 V1115 T1116 M1117 E1118 A1124 Y1140 | R1103-I1120 HydrophobicContact CG-CD1 3.66Å; I1106-I1120 HydrophobicContact CB-CG2 4.11Å; I1106-I1120 HydrophobicContact CD1-CG2 4.2Å; I1106-I1120 HydrophobicContact CG2-CB 4.35Å; I1106-I1120 HydrophobicContact CG2-CG1 4.35Å; I1106-I1120 HydrophobicContact CG2-CG2 3.82Å; A1107-I1120 HydrophobicContact CB-CD1 3.97Å; V1115-I1120 HydrophobicContact CB-CG1 4.49Å; V1115-I1120 HydrophobicContact CG1-CD1 4.39Å; V1115-I1120 HydrophobicContact CG1-CG1 3.78Å; T1116-I1120 WeakPolarHBondContact O-CG1 3.11Å; T1116-I1120 PolarHBondContact O-N 3.19Å; T1116-I1120 VanDerWaalsContact O-N 3.17Å; M1117-I1120 PolarHBondContact O-N 2.91Å; M1117-I1120 HydrophobicContact SD-CB 4.47Å; M1117-I1120 HydrophobicContact SD-CD1 4.45Å; M1117-I1120 HydrophobicContact SD-CG2 4.47Å; E1118-I1120 PolarHBondContact O-N 3.36Å; I1120-A1124 WeakPolarHBondContact O-CB 3.35Å; I1120-A1124 PolarHBondContact O-N 3.23Å; I1120-Y1140 HydrophobicContact CG2-CD1 3.98Å; I1120-Y1140 HydrophobicContact CG2-CE1 3.78Å |
| 1121 | I | 95.4 | Very high | 92.8 | Very high | 42 Ų | 42 | 64.2 Ų | 64.2 | 22% | 0.215 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.9 | -43.2 | 177.1 | -69.2 | 167.2 | 0 | 0 | 0 | 110.6 | M1117 E1118 E1119 A1124 R1125 Y1140 | M1117-I1121 HydrophobicContact CE-CD1 4.1Å; M1117-I1121 HydrophobicContact CE-CG1 4.11Å; M1117-I1121 HydrophobicContact CG-CD1 4.03Å; M1117-I1121 HydrophobicContact CG-CG1 4.48Å; M1117-I1121 WeakPolarHBondContact O-CG1 3.42Å; M1117-I1121 PolarHBondContact O-N 2.78Å; E1118-I1121 PolarHBondContact O-N 3.41Å; E1119-I1121 VanDerWaalsContact C-N 3.34Å; I1121-A1124 PolarHBondContact O-N 2.97Å; I1121-R1125 HydrophobicContact CG2-CG 4.44Å; I1121-R1125 WeakPolarHBondContact O-CG 3.2Å; I1121-R1125 PolarHBondContact O-N 3.23Å; I1121-Y1140 HydrophobicContact CG1-CE2 4.06Å |
| 1122 | E | 94.2 | Very high | 92.8 | Very high | 112 Ų | 112 | 64.8 Ų | 64.8 | 52% | 0.523 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57 | -50.1 | 175.8 | -171.5 | -172.5 | 174 | 0 | 0 | 111 | E1118 E1119 A1124 R1125 A1126 | E1118-E1122 WeakPolarHBondContact O-CB 3.47Å; E1118-E1122 PolarHBondContact O-N 3.11Å; E1119-E1122 PolarHBondContact O-N 3.13Å; E1122-A1124 PolarHBondContact O-N 3.33Å; E1122-R1125 PolarHBondContact O-N 3.26Å; E1122-A1126 PolarHBondContact O-N 3.39Å |
| 1123 | A | 94 | Very high | 93.2 | Very high | 7 Ų | 7 | 61.1 Ų | 61.1 | 6% | 0.058 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.9 | -37.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E1119 A1126 A1127 A1162 L1165 V1166 | E1119-A1123 WeakPolarHBondContact O-CB 3.47Å; E1119-A1123 PolarHBondContact O-N 3.45Å; A1123-A1126 PolarHBondContact O-N 2.92Å; A1123-A1127 WeakPolarHBondContact O-CB 3.4Å; A1123-A1127 PolarHBondContact O-N 3.32Å; A1123-A1162 HydrophobicContact CB-CB 4.44Å; A1123-L1165 HydrophobicContact CB-CB 4.32Å; A1123-V1166 HydrophobicContact CB-CB 4.43Å; A1123-V1166 HydrophobicContact CB-CG2 3.45Å; A1123-V1166 VanDerWaalsContact CB-CG2 3.45Å |
| 1124 | A | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.4 | -33.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1106 I1120 I1121 E1122 N1128 I1129 H1130 I1133 Y1140 | I1106-A1124 HydrophobicContact CD1-CB 4.32Å; I1120-A1124 WeakPolarHBondContact O-CB 3.35Å; I1120-A1124 PolarHBondContact O-N 3.23Å; I1121-A1124 PolarHBondContact O-N 2.97Å; E1122-A1124 PolarHBondContact O-N 3.33Å; A1124-N1128 PolarHBondContact O-N 3.43Å; A1124-I1129 HydrophobicContact CB-CG2 3.89Å; A1124-I1129 WeakPolarHBondContact O-CG2 3.24Å; A1124-I1129 PolarHBondContact O-N 2.99Å; A1124-H1130 HydrophobicContact CB-CB 4.29Å; A1124-H1130 PolarHBondContact O-N 3.36Å; A1124-H1130 VanDerWaalsContact O-N 3.12Å; A1124-I1133 HydrophobicContact CB-CD1 4.34Å; A1124-Y1140 HydrophobicContact CB-CE1 4.13Å; A1124-Y1140 VanDerWaalsContact CB-OH 3.22Å; A1124-Y1140 WeakPolarHBondContact CB-OH 3.27Å |
| 1125 | R | 94.4 | Very high | 93.5 | Very high | 153 Ų | 153 | 55.3 Ų | 55.3 | 58% | 0.577 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -69.8 | -45.7 | 172.7 | -74.7 | 179 | -176 | 169.9 | 1.2 | 110.8 | I1121 E1122 A1127 N1128 H1130 | I1121-R1125 HydrophobicContact CG2-CG 4.44Å; I1121-R1125 WeakPolarHBondContact O-CG 3.2Å; I1121-R1125 PolarHBondContact O-N 3.23Å; E1122-R1125 PolarHBondContact O-N 3.26Å; R1125-A1127 PolarHBondContact O-N 3.5Å; R1125-N1128 PolarHBondContact O-N 3.42Å; R1125-N1128 PolarHBondContact O-OD1 3.48Å; R1125-H1130 HydrophobicContact CB-CB 4.41Å; R1125-H1130 HydrophobicContact CG-CB 3.57Å; R1125-H1130 PolarHBondContact NE-CD2 3.34Å; R1125-H1130 PolarHBondContact NE-NE2 3.44Å; R1125-H1130 PolarHBondContact NH2-NE2 3.43Å |
| 1126 | A | 91.5 | Very high | 93.4 | Very high | 45 Ų | 45 | 55.7 Ų | 55.7 | 37% | 0.372 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.8 | -31.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | E1122 A1123 N1128 L1165 | E1122-A1126 PolarHBondContact O-N 3.39Å; A1123-A1126 PolarHBondContact O-N 2.92Å; A1126-N1128 VanDerWaalsContact C-N 3.33Å; A1126-L1165 HydrophobicContact CB-CD1 3.78Å |
| 1127 | A | 92.9 | Very high | 93 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 9.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | A1123 R1125 I1129 R1158 I1161 A1162 | A1123-A1127 WeakPolarHBondContact O-CB 3.4Å; A1123-A1127 PolarHBondContact O-N 3.32Å; R1125-A1127 PolarHBondContact O-N 3.5Å; A1127-I1129 HydrophobicContact CB-CG2 4.35Å; A1127-I1129 PolarHBondContact O-N 2.94Å; A1127-R1158 VanDerWaalsContact CB-O 3.32Å; A1127-R1158 WeakPolarHBondContact CB-O 3.31Å; A1127-R1158 WeakPolarHBondContact O-CB 3.47Å; A1127-R1158 VanDerWaalsContact O-CD 3.22Å; A1127-R1158 WeakPolarHBondContact O-CD 3.29Å; A1127-R1158 VanDerWaalsContact O-CG 3.29Å; A1127-R1158 WeakPolarHBondContact O-CG 3.47Å; A1127-I1161 HydrophobicContact CB-CB 4.02Å; A1127-I1161 HydrophobicContact CB-CG2 3.82Å; A1127-A1162 HydrophobicContact CB-CB 3.81Å |
| 1128 | N | 92.5 | Very high | 92.9 | Very high | 69 Ų | 69 | 61 Ų | 61 | 37% | 0.369 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | 33.5 | -178 | -64.1 | -25.8 | 0 | 0 | 0 | 114.4 | A1124 R1125 A1126 R1158 A1192 | A1124-N1128 PolarHBondContact O-N 3.43Å; R1125-N1128 PolarHBondContact O-N 3.42Å; R1125-N1128 PolarHBondContact O-OD1 3.48Å; A1126-N1128 VanDerWaalsContact C-N 3.33Å; N1128-R1158 PolarHBondContact O-NH1 2.87Å; N1128-A1192 HydrophobicContact CB-CB 4.33Å |
| 1129 | I | 93.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | trans | -115.1 | -13.8 | -179.3 | -161.9 | 64.4 | 0 | 0 | 0 | 113.6 | A1124 A1127 D1131 F1132 I1133 Q1155 R1158 I1159 | A1124-I1129 HydrophobicContact CB-CG2 3.89Å; A1124-I1129 WeakPolarHBondContact O-CG2 3.24Å; A1124-I1129 PolarHBondContact O-N 2.99Å; A1127-I1129 HydrophobicContact CB-CG2 4.35Å; A1127-I1129 PolarHBondContact O-N 2.94Å; I1129-D1131 PolarHBondContact O-N 2.83Å; I1129-F1132 HydrophobicContact CD1-CB 3.99Å; I1129-F1132 HydrophobicContact CD1-CD1 3.64Å; I1129-F1132 HydrophobicContact CD1-CG 4.11Å; I1129-F1132 HydrophobicContact CG1-CD1 4.26Å; I1129-F1132 PolarHBondContact O-N 3.44Å; I1129-I1133 HydrophobicContact CB-CD1 4.44Å; I1129-I1133 HydrophobicContact CG1-CD1 4.08Å; I1129-I1133 HydrophobicContact CG1-CG1 4.14Å; I1129-I1133 HydrophobicContact CG2-CD1 3.83Å; I1129-I1133 WeakPolarHBondContact O-CG1 3.48Å; I1129-I1133 PolarHBondContact O-N 3.46Å; I1129-Q1155 HydrophobicContact CD1-CB 4.3Å; I1129-Q1155 HydrophobicContact CD1-CG 4.3Å; I1129-R1158 HydrophobicContact CB-CB 3.87Å; I1129-R1158 HydrophobicContact CD1-CB 4.02Å; I1129-R1158 HydrophobicContact CG1-CB 4.16Å; I1129-I1159 HydrophobicContact CG1-CG1 4.18Å | ||
| 1130 | H | 94.3 | Very high | 92.9 | Very high | 25 Ų | 25 | 56.9 Ų | 56.9 | 12% | 0.116 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -52.8 | -50.6 | -179.2 | -179 | 65.4 | 0 | 0 | 0 | 112.7 | A1124 R1125 F1132 I1133 T1134 Y1140 | A1124-H1130 HydrophobicContact CB-CB 4.29Å; A1124-H1130 PolarHBondContact O-N 3.36Å; A1124-H1130 VanDerWaalsContact O-N 3.12Å; R1125-H1130 HydrophobicContact CB-CB 4.41Å; R1125-H1130 HydrophobicContact CG-CB 3.57Å; R1125-H1130 PolarHBondContact NE-CD2 3.34Å; R1125-H1130 PolarHBondContact NE-NE2 3.44Å; R1125-H1130 PolarHBondContact NH2-NE2 3.43Å; H1130-F1132 VanDerWaalsContact C-N 3.31Å; H1130-F1132 PolarHBondContact O-N 2.85Å; H1130-I1133 PolarHBondContact O-N 2.99Å; H1130-T1134 WeakPolarHBondContact O-CG2 3.32Å; H1130-T1134 PolarHBondContact O-N 3.01Å; H1130-Y1140 AromaticContact ND1-CE2 3.89Å; H1130-Y1140 AromaticContact ND1-CZ 3.77Å; H1130-Y1140 PolarHBondContact ND1-OH 3.03Å |
| 1131 | D | 91.6 | Very high | 92.9 | Very high | 121 Ų | 121 | 60.2 Ų | 60.2 | 65% | 0.647 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -59.9 | -44.1 | -177.5 | -59.5 | -18.9 | 0 | 0 | 0 | 111.1 | I1129 I1133 T1134 T1135 | I1129-D1131 PolarHBondContact O-N 2.83Å; D1131-I1133 PolarHBondContact O-N 3.43Å; D1131-T1134 PolarHBondContact O-N 3.48Å; D1131-T1134 PolarHBondContact O-OG1 3.13Å; D1131-T1135 WeakPolarHBondContact O-CG2 3.41Å; D1131-T1135 PolarHBondContact O-N 2.93Å |
| 1132 | F | 91.6 | Very high | 92.7 | Very high | 49 Ų | 49 | 59.3 Ų | 59.3 | 22% | 0.215 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.8 | -46.5 | 173.9 | 172.2 | -102.9 | 0 | 0 | 0 | 112 | I1129 H1130 T1134 T1135 L1136 L1151 Q1155 | I1129-F1132 HydrophobicContact CD1-CB 3.99Å; I1129-F1132 HydrophobicContact CD1-CD1 3.64Å; I1129-F1132 HydrophobicContact CD1-CG 4.11Å; I1129-F1132 HydrophobicContact CG1-CD1 4.26Å; I1129-F1132 PolarHBondContact O-N 3.44Å; H1130-F1132 VanDerWaalsContact C-N 3.31Å; H1130-F1132 PolarHBondContact O-N 2.85Å; F1132-T1134 VanDerWaalsContact C-N 3.27Å; F1132-T1134 PolarHBondContact O-N 3.47Å; F1132-T1135 PolarHBondContact O-N 2.78Å; F1132-T1135 PolarHBondContact O-OG1 3.4Å; F1132-L1136 HydrophobicContact CE1-CD1 3.99Å; F1132-L1136 HydrophobicContact CE1-CD2 4.43Å; F1132-L1136 HydrophobicContact CE1-CG 4.38Å; F1132-L1136 HydrophobicContact CE2-CD2 4.46Å; F1132-L1136 HydrophobicContact CZ-CD1 4.37Å; F1132-L1136 HydrophobicContact CZ-CD2 3.99Å; F1132-L1136 HydrophobicContact CZ-CG 4.39Å; F1132-L1151 HydrophobicContact CE1-CD2 3.84Å; F1132-L1151 HydrophobicContact CZ-CD2 4.1Å; F1132-Q1155 HydrophobicContact CD1-CG 4.27Å; F1132-Q1155 HydrophobicContact CE1-CB 4.47Å; F1132-Q1155 HydrophobicContact CE1-CG 4.02Å; F1132-Q1155 HydrophobicContact CZ-CG 4.15Å; F1132-Q1155 VanDerWaalsContact CZ-NE2 3.29Å |
| 1133 | I | 93.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.2 | -40.3 | 179.4 | -64.9 | 164.1 | 0 | 0 | 0 | 110.6 | I1102 I1106 A1124 I1129 H1130 D1131 T1135 L1136 Q1139 Y1140 | I1102-I1133 HydrophobicContact CD1-CG1 4.27Å; I1102-I1133 HydrophobicContact CG2-CD1 3.67Å; I1102-I1133 HydrophobicContact CG2-CG1 4.14Å; I1106-I1133 HydrophobicContact CD1-CD1 4.33Å; A1124-I1133 HydrophobicContact CB-CD1 4.34Å; I1129-I1133 HydrophobicContact CB-CD1 4.44Å; I1129-I1133 HydrophobicContact CG1-CD1 4.08Å; I1129-I1133 HydrophobicContact CG1-CG1 4.14Å; I1129-I1133 HydrophobicContact CG2-CD1 3.83Å; I1129-I1133 WeakPolarHBondContact O-CG1 3.48Å; I1129-I1133 PolarHBondContact O-N 3.46Å; H1130-I1133 PolarHBondContact O-N 2.99Å; D1131-I1133 PolarHBondContact O-N 3.43Å; I1133-T1135 PolarHBondContact O-N 2.88Å; I1133-L1136 WeakPolarHBondContact O-CB 3.32Å; I1133-L1136 PolarHBondContact O-N 2.91Å; I1133-Q1139 VanDerWaalsContact CG2-C 3.49Å; I1133-Q1139 WeakPolarHBondContact O-CA 3.1Å; I1133-Y1140 HydrophobicContact CB-CE2 4.45Å; I1133-Y1140 HydrophobicContact CD1-CD1 4.29Å; I1133-Y1140 HydrophobicContact CD1-CE1 3.77Å; I1133-Y1140 HydrophobicContact CG2-CD1 3.97Å; I1133-Y1140 HydrophobicContact CG2-CD2 3.59Å; I1133-Y1140 HydrophobicContact CG2-CE1 4.13Å; I1133-Y1140 HydrophobicContact CG2-CE2 3.76Å; I1133-Y1140 HydrophobicContact CG2-CG 3.7Å |
| 1134 | T | 92.1 | Very high | 92.4 | Very high | 60 Ų | 60 | 59.5 Ų | 59.5 | 37% | 0.368 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.9 | -21.9 | 178.4 | 62.6 | 0 | 0 | 0 | 0 | 113.9 | H1130 D1131 F1132 L1136 | H1130-T1134 WeakPolarHBondContact O-CG2 3.32Å; H1130-T1134 PolarHBondContact O-N 3.01Å; D1131-T1134 PolarHBondContact O-N 3.48Å; D1131-T1134 PolarHBondContact O-OG1 3.13Å; F1132-T1134 VanDerWaalsContact C-N 3.27Å; F1132-T1134 PolarHBondContact O-N 3.47Å; T1134-L1136 VanDerWaalsContact C-N 3.33Å |
| 1135 | T | 92 | Very high | 91.7 | Very high | 106 Ų | 106 | 59.8 Ų | 59.8 | 65% | 0.65 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -77.9 | -15.6 | 173.3 | 68.1 | 0 | 0 | 0 | 0 | 113.7 | D1131 F1132 I1133 | D1131-T1135 WeakPolarHBondContact O-CG2 3.41Å; D1131-T1135 PolarHBondContact O-N 2.93Å; F1132-T1135 PolarHBondContact O-N 2.78Å; F1132-T1135 PolarHBondContact O-OG1 3.4Å; I1133-T1135 PolarHBondContact O-N 2.88Å |
| 1136 | L | 90.9 | Very high | 90.8 | Very high | 32 Ų | 32 | 58.9 Ų | 58.9 | 17% | 0.168 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -75.9 | 144.4 | 179.3 | -63.1 | 173.5 | 0 | 0 | 0 | 111.3 | I1102 F1132 I1133 T1134 E1138 Q1139 T1142 | I1102-L1136 HydrophobicContact CD1-CD1 3.56Å; F1132-L1136 HydrophobicContact CE1-CD1 3.99Å; F1132-L1136 HydrophobicContact CE1-CD2 4.43Å; F1132-L1136 HydrophobicContact CE1-CG 4.38Å; F1132-L1136 HydrophobicContact CE2-CD2 4.46Å; F1132-L1136 HydrophobicContact CZ-CD1 4.37Å; F1132-L1136 HydrophobicContact CZ-CD2 3.99Å; F1132-L1136 HydrophobicContact CZ-CG 4.39Å; I1133-L1136 WeakPolarHBondContact O-CB 3.32Å; I1133-L1136 PolarHBondContact O-N 2.91Å; T1134-L1136 VanDerWaalsContact C-N 3.33Å; L1136-E1138 VanDerWaalsContact C-N 3.3Å; L1136-E1138 PolarHBondContact O-N 2.91Å; L1136-Q1139 PolarHBondContact O-N 3.33Å; L1136-T1142 HydrophobicContact CD1-CG2 4.19Å |
| 1137 | P | 87 | Confident | 89.9 | Confident | 132 Ų | 132 | 63.9 Ų | 63.9 | 86% | 0.857 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -37 | -176 | -25.3 | 33 | 0 | 0 | 0 | 115 | ||
| 1138 | E | 90.6 | Very high | 89.1 | Confident | 126 Ų | 126 | 63.9 Ų | 63.9 | 59% | 0.589 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | 8.1 | 179.4 | -63.7 | 179.7 | 167.2 | 0 | 0 | 111.9 | L1136 Y1140 E1141 | L1136-E1138 VanDerWaalsContact C-N 3.3Å; L1136-E1138 PolarHBondContact O-N 2.91Å; E1138-Y1140 PolarHBondContact O-N 3.4Å; E1138-E1141 HydrophobicContact CB-CB 4.36Å; E1138-E1141 WeakPolarHBondContact O-CB 2.99Å; E1138-E1141 PolarHBondContact O-N 3.49Å |
| 1139 | Q | 93.8 | Very high | 88.6 | Confident | 103 Ų | 103 | 64.7 Ų | 64.7 | 48% | 0.481 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | 46.5 | -123 | -177 | -56 | 179.1 | 6.7 | 0 | 0 | 112.1 | I1133 L1136 E1141 T1142 | I1133-Q1139 VanDerWaalsContact CG2-C 3.49Å; I1133-Q1139 WeakPolarHBondContact O-CA 3.1Å; L1136-Q1139 PolarHBondContact O-N 3.33Å; Q1139-E1141 VanDerWaalsContact C-N 3.27Å; Q1139-E1141 PolarHBondContact O-N 3.2Å; Q1139-T1142 PolarHBondContact N-OG1 3Å; Q1139-T1142 VanDerWaalsContact O-CB 3.28Å; Q1139-T1142 WeakPolarHBondContact O-CB 3.31Å; Q1139-T1142 PolarHBondContact O-N 3.08Å; Q1139-T1142 PolarHBondContact O-OG1 2.96Å |
| 1140 | Y | 94.8 | Very high | 88.2 | Confident | 9 Ų | 9 | 71.5 Ų | 71.5 | 4% | 0.035 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -68.5 | -18.6 | 179.3 | -76.9 | -90.6 | 0 | 0 | 0 | 114.6 | I1102 R1103 I1106 M1117 I1120 I1121 A1124 H1130 I1133 E1138 T1142 | I1102-Y1140 HydrophobicContact CG2-CD1 4.32Å; I1102-Y1140 PolarHBondContact N-O 3.48Å; R1103-Y1140 PolarHBondContact N-O 2.79Å; I1106-Y1140 HydrophobicContact CD1-CE1 4.23Å; M1117-Y1140 HydrophobicContact CE-CD1 3.96Å; M1117-Y1140 HydrophobicContact CE-CD2 3.44Å; M1117-Y1140 VanDerWaalsContact CE-CD2 3.44Å; M1117-Y1140 HydrophobicContact CE-CE1 4.45Å; M1117-Y1140 HydrophobicContact CE-CE2 4Å; M1117-Y1140 HydrophobicContact CE-CG 3.43Å; M1117-Y1140 VanDerWaalsContact CE-CG 3.43Å; I1120-Y1140 HydrophobicContact CG2-CD1 3.98Å; I1120-Y1140 HydrophobicContact CG2-CE1 3.78Å; I1121-Y1140 HydrophobicContact CG1-CE2 4.06Å; A1124-Y1140 HydrophobicContact CB-CE1 4.13Å; A1124-Y1140 VanDerWaalsContact CB-OH 3.22Å; A1124-Y1140 WeakPolarHBondContact CB-OH 3.27Å; H1130-Y1140 AromaticContact ND1-CE2 3.89Å; H1130-Y1140 AromaticContact ND1-CZ 3.77Å; H1130-Y1140 PolarHBondContact ND1-OH 3.03Å; I1133-Y1140 HydrophobicContact CB-CE2 4.45Å; I1133-Y1140 HydrophobicContact CD1-CD1 4.29Å; I1133-Y1140 HydrophobicContact CD1-CE1 3.77Å; I1133-Y1140 HydrophobicContact CG2-CD1 3.97Å; I1133-Y1140 HydrophobicContact CG2-CD2 3.59Å; I1133-Y1140 HydrophobicContact CG2-CE1 4.13Å; I1133-Y1140 HydrophobicContact CG2-CE2 3.76Å; I1133-Y1140 HydrophobicContact CG2-CG 3.7Å; E1138-Y1140 PolarHBondContact O-N 3.4Å; Y1140-T1142 PolarHBondContact O-N 2.83Å |
| 1141 | E | 94.9 | Very high | 87.9 | Confident | 73 Ų | 73 | 71.3 Ų | 71.3 | 34% | 0.341 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -81.2 | -5.8 | 175 | -61.5 | -51.1 | 119.1 | 0 | 0 | 112.9 | T1101 R1103 E1138 Q1139 K1143 | T1101-E1141 WeakPolarHBondContact CG2-O 3.4Å; R1103-E1141 VanDerWaalsContact CZ-CD 3.42Å; R1103-E1141 IonicContact CZ-OE1 3.73Å; R1103-E1141 IonicContact CZ-OE2 2.95Å; R1103-E1141 IonicContact NE-OE1 3.68Å; R1103-E1141 PolarHBondContact NE-OE1 3.48Å; R1103-E1141 VanDerWaalsContact NH1-CD 3.29Å; R1103-E1141 IonicContact NH1-OE1 2.78Å; R1103-E1141 PolarHBondContact NH1-OE1 3.28Å; R1103-E1141 IonicContact NH1-OE2 3.7Å; R1103-E1141 PolarHBondContact NH1-OE2 2.96Å; R1103-E1141 IonicContact NH2-OE1 3.13Å; R1103-E1141 PolarHBondContact NH2-OE1 2.88Å; R1103-E1141 IonicContact NH2-OE2 3.88Å; R1103-E1141 PolarHBondContact NH2-OE2 3.37Å; E1138-E1141 HydrophobicContact CB-CB 4.36Å; E1138-E1141 WeakPolarHBondContact O-CB 2.99Å; E1138-E1141 PolarHBondContact O-N 3.49Å; Q1139-E1141 VanDerWaalsContact C-N 3.27Å; Q1139-E1141 PolarHBondContact O-N 3.2Å; E1141-K1143 PolarHBondContact O-N 3.23Å |
| 1142 | T | 93 | Very high | 87.7 | Confident | 24 Ų | 24 | 67.8 Ų | 67.8 | 15% | 0.147 | 35% | 0.348 | C | S | . | . | trans | -58.3 | 124.7 | 178.1 | -53.6 | 0 | 0 | 0 | 0 | 110.4 | T1101 I1102 L1136 Q1139 Y1140 V1144 | T1101-T1142 WeakPolarHBondContact CA-O 3.41Å; I1102-T1142 PolarHBondContact N-O 3.38Å; L1136-T1142 HydrophobicContact CD1-CG2 4.19Å; Q1139-T1142 PolarHBondContact N-OG1 3Å; Q1139-T1142 VanDerWaalsContact O-CB 3.28Å; Q1139-T1142 WeakPolarHBondContact O-CB 3.31Å; Q1139-T1142 PolarHBondContact O-N 3.08Å; Q1139-T1142 PolarHBondContact O-OG1 2.96Å; Y1140-T1142 PolarHBondContact O-N 2.83Å; T1142-V1144 PolarHBondContact O-N 2.93Å | ||
| 1143 | K | 91.4 | Very high | 87.4 | Confident | 121 Ų | 121 | 67.5 Ų | 67.5 | 53% | 0.526 | 36% | 0.359 | S | S | . | . | B | Isolated β-bridge | trans | -76 | 121.9 | 173.6 | -66.7 | -171.7 | 177.8 | -169.8 | 0 | 111.4 | T1101 E1141 G1145 K1150 | T1101-K1143 HydrophobicContact CG2-CG 4.29Å; E1141-K1143 PolarHBondContact O-N 3.23Å; K1143-G1145 VanDerWaalsContact C-N 3.28Å; K1143-G1145 PolarHBondContact O-N 3.31Å; K1143-K1150 WeakPolarHBondContact O-CD 3.49Å; K1143-K1150 PolarHBondContact O-NZ 3.3Å |
| 1144 | V | 88.7 | Confident | 87.2 | Confident | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.006 | 36% | 0.36 | C | S | . | . | trans | -72.3 | -19.9 | -176.1 | -56.5 | 0 | 0 | 0 | 0 | 113.6 | L1097 F1098 L1100 I1102 T1142 G1148 S1149 K1150 L1151 | L1097-V1144 HydrophobicContact CB-CG2 3.96Å; L1097-V1144 HydrophobicContact CD1-CB 4.33Å; L1097-V1144 HydrophobicContact CD1-CG1 4.38Å; L1097-V1144 HydrophobicContact CD1-CG2 4.33Å; F1098-V1144 WeakPolarHBondContact O-CG2 3.32Å; L1100-V1144 PolarHBondContact O-N 3.46Å; I1102-V1144 HydrophobicContact CB-CG1 4.46Å; I1102-V1144 HydrophobicContact CD1-CG1 4.41Å; I1102-V1144 HydrophobicContact CG1-CG1 3.42Å; I1102-V1144 VanDerWaalsContact CG1-CG1 3.42Å; T1142-V1144 PolarHBondContact O-N 2.93Å; V1144-G1148 CarbonylContact O-C 3.58Å; V1144-G1148 VanDerWaalsContact O-CA 3.3Å; V1144-G1148 WeakPolarHBondContact O-CA 3.43Å; V1144-S1149 PolarHBondContact O-N 3.17Å; V1144-K1150 WeakPolarHBondContact O-CB 3.32Å; V1144-K1150 PolarHBondContact O-N 2.97Å; V1144-L1151 HydrophobicContact CB-CD1 4.09Å; V1144-L1151 HydrophobicContact CG1-CD1 3.78Å | ||
| 1145 | G | 82 | Confident | 87.2 | Confident | 7 Ų | 7 | 66.3 Ų | 66.3 | 7% | 0.072 | 35% | 0.35 | C | S | . | . | trans | 81.9 | 168.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D1099 K1143 R1147 G1148 | D1099-G1145 VanDerWaalsContact OD1-CA 3.22Å; D1099-G1145 WeakPolarHBondContact OD1-CA 3.28Å; K1143-G1145 VanDerWaalsContact C-N 3.28Å; K1143-G1145 PolarHBondContact O-N 3.31Å; G1145-R1147 PolarHBondContact O-N 2.85Å; G1145-G1148 WeakPolarHBondContact O-CA 3.46Å; G1145-G1148 PolarHBondContact O-N 3.47Å | ||
| 1146 | Q | 75.4 | Confident | 87.2 | Confident | 134 Ų | 134 | 63.3 Ų | 63.3 | 63% | 0.626 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -54.7 | 126.4 | 175.6 | -67.9 | -178.5 | -3.4 | 0 | 0 | 111.1 | D1099 G1148 S1149 | D1099-Q1146 HydrophobicContact CB-CG 4.11Å; Q1146-G1148 PolarHBondContact O-N 3.29Å; Q1146-G1148 VanDerWaalsContact O-N 3.13Å; Q1146-S1149 WeakPolarHBondContact O-CB 3.48Å; Q1146-S1149 PolarHBondContact O-N 2.94Å; Q1146-S1149 VanDerWaalsContact O-N 3.16Å; Q1146-S1149 PolarHBondContact O-OG 3.34Å |
| 1147 | R | 71.8 | Confident | 87.2 | Confident | 149 Ų | 149 | 62 Ų | 62 | 56% | 0.562 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | 55.9 | 21.7 | -174.4 | -51.6 | -174.4 | -173.2 | 169.9 | 8.2 | 114.3 | E224 L1097 G1145 S1149 K1156 | E224-R1147 IonicContact OE1-CZ 2.7Å; E224-R1147 IonicContact OE1-NE 3.62Å; E224-R1147 IonicContact OE1-NH2 3.89Å; E224-R1147 PolarHBondContact OE1-NH2 2.96Å; E224-R1147 IonicContact OE2-CZ 2.68Å; E224-R1147 IonicContact OE2-NE 3.78Å; E224-R1147 PolarHBondContact OE2-NE 3.17Å; E224-R1147 IonicContact OE2-NH2 3.87Å; E224-R1147 PolarHBondContact OE2-NH2 3.12Å; L1097-R1147 WeakPolarHBondContact O-CA 3.45Å; L1097-R1147 PolarHBondContact O-N 2.91Å; G1145-R1147 PolarHBondContact O-N 2.85Å; R1147-S1149 VanDerWaalsContact C-N 3.33Å; R1147-S1149 PolarHBondContact O-N 3.08Å; R1147-K1156 WeakPolarHBondContact O-CE 3.33Å; R1147-K1156 PolarHBondContact O-NZ 2.96Å |
| 1148 | G | 75.7 | Confident | 87.5 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | 67.3 | 26.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | V1144 G1145 Q1146 K1150 L1151 K1156 | V1144-G1148 CarbonylContact O-C 3.58Å; V1144-G1148 VanDerWaalsContact O-CA 3.3Å; V1144-G1148 WeakPolarHBondContact O-CA 3.43Å; G1145-G1148 WeakPolarHBondContact O-CA 3.46Å; G1145-G1148 PolarHBondContact O-N 3.47Å; Q1146-G1148 PolarHBondContact O-N 3.29Å; Q1146-G1148 VanDerWaalsContact O-N 3.13Å; G1148-K1150 PolarHBondContact O-N 2.95Å; G1148-L1151 PolarHBondContact O-N 3.42Å; G1148-K1156 WeakPolarHBondContact O-CE 3.43Å; G1148-K1156 PolarHBondContact O-NZ 3.23Å |
| 1149 | S | 82.1 | Confident | 87.6 | Confident | 87 Ų | 87 | 51.2 Ų | 51.2 | 61% | 0.608 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -17 | -173.1 | 58.1 | 0 | 0 | 0 | 0 | 116.2 | V1144 Q1146 R1147 | V1144-S1149 PolarHBondContact O-N 3.17Å; Q1146-S1149 WeakPolarHBondContact O-CB 3.48Å; Q1146-S1149 PolarHBondContact O-N 2.94Å; Q1146-S1149 VanDerWaalsContact O-N 3.16Å; Q1146-S1149 PolarHBondContact O-OG 3.34Å; R1147-S1149 VanDerWaalsContact C-N 3.33Å; R1147-S1149 PolarHBondContact O-N 3.08Å |
| 1150 | K | 85.3 | Confident | 87.6 | Confident | 143 Ų | 143 | 46.6 Ų | 46.6 | 62% | 0.622 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -1.2 | 176 | -59.9 | -175.9 | -173.1 | 169.2 | 0 | 115.1 | K1143 V1144 G1148 | K1143-K1150 WeakPolarHBondContact O-CD 3.49Å; K1143-K1150 PolarHBondContact O-NZ 3.3Å; V1144-K1150 WeakPolarHBondContact O-CB 3.32Å; V1144-K1150 PolarHBondContact O-N 2.97Å; G1148-K1150 PolarHBondContact O-N 2.95Å |
| 1151 | L | 87.1 | Confident | 87.5 | Confident | 20 Ų | 20 | 46.2 Ų | 46.2 | 11% | 0.105 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -119.6 | 148.3 | -175.7 | -60.6 | 177.3 | 0 | 0 | 0 | 111.2 | L1097 F1132 V1144 G1148 Q1155 K1156 I1159 | L1097-L1151 HydrophobicContact CD1-CD1 3.89Å; F1132-L1151 HydrophobicContact CE1-CD2 3.84Å; F1132-L1151 HydrophobicContact CZ-CD2 4.1Å; V1144-L1151 HydrophobicContact CB-CD1 4.09Å; V1144-L1151 HydrophobicContact CG1-CD1 3.78Å; G1148-L1151 PolarHBondContact O-N 3.42Å; L1151-Q1155 HydrophobicContact CB-CB 4.14Å; L1151-K1156 HydrophobicContact CB-CG 3.9Å; L1151-K1156 WeakPolarHBondContact O-CE 3.43Å; L1151-I1159 HydrophobicContact CD1-CD1 3.31Å |
| 1152 | S | 87.8 | Confident | 87.5 | Confident | 48 Ų | 48 | 42.8 Ų | 42.8 | 34% | 0.336 | 22% | 0.219 | S | C | . | . | trans | -68.8 | 159.8 | 172.8 | 79.1 | 0 | 0 | 0 | 0 | 111.5 | G1154 Q1155 K1156 | S1152-G1154 VanDerWaalsContact C-N 3.29Å; S1152-G1154 PolarHBondContact O-N 3.19Å; S1152-Q1155 PolarHBondContact O-N 2.85Å; S1152-Q1155 VanDerWaalsContact O-N 3.1Å; S1152-Q1155 VanDerWaalsContact OG-CD 3.28Å; S1152-Q1155 VanDerWaalsContact OG-CG 3.28Å; S1152-Q1155 WeakPolarHBondContact OG-CG 3.28Å; S1152-Q1155 PolarHBondContact OG-N 3.38Å; S1152-K1156 WeakPolarHBondContact O-CG 3.43Å; S1152-K1156 PolarHBondContact O-N 3.07Å | ||
| 1153 | G | 86.2 | Confident | 87.6 | Confident | 42 Ų | 42 | 41.8 Ų | 41.8 | 43% | 0.433 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -51.8 | -47.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q1155 K1156 Q1157 | G1153-Q1155 PolarHBondContact O-N 3.43Å; G1153-K1156 PolarHBondContact O-N 3.28Å; G1153-Q1157 PolarHBondContact O-N 2.87Å |
| 1154 | G | 88.7 | Confident | 87.7 | Confident | 2 Ų | 2 | 36 Ų | 36 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.8 | -32.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S1152 R1158 L1181 | S1152-G1154 VanDerWaalsContact C-N 3.29Å; S1152-G1154 PolarHBondContact O-N 3.19Å; G1154-R1158 WeakPolarHBondContact O-CG 3.37Å; G1154-R1158 PolarHBondContact O-N 3.03Å; G1154-R1158 VanDerWaalsContact O-N 3.12Å; G1154-L1181 VanDerWaalsContact CA-CD2 3.49Å |
| 1155 | Q | 91.4 | Very high | 87.9 | Confident | 34 Ų | 34 | 36.7 Ų | 36.7 | 16% | 0.159 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.6 | -43 | 174 | -70.2 | 162.5 | 1 | 0 | 0 | 111.4 | I1129 F1132 L1151 S1152 G1153 Q1157 R1158 I1159 | I1129-Q1155 HydrophobicContact CD1-CB 4.3Å; I1129-Q1155 HydrophobicContact CD1-CG 4.3Å; F1132-Q1155 HydrophobicContact CD1-CG 4.27Å; F1132-Q1155 HydrophobicContact CE1-CB 4.47Å; F1132-Q1155 HydrophobicContact CE1-CG 4.02Å; F1132-Q1155 HydrophobicContact CZ-CG 4.15Å; F1132-Q1155 VanDerWaalsContact CZ-NE2 3.29Å; L1151-Q1155 HydrophobicContact CB-CB 4.14Å; S1152-Q1155 PolarHBondContact O-N 2.85Å; S1152-Q1155 VanDerWaalsContact O-N 3.1Å; S1152-Q1155 VanDerWaalsContact OG-CD 3.28Å; S1152-Q1155 VanDerWaalsContact OG-CG 3.28Å; S1152-Q1155 WeakPolarHBondContact OG-CG 3.28Å; S1152-Q1155 PolarHBondContact OG-N 3.38Å; G1153-Q1155 PolarHBondContact O-N 3.43Å; Q1155-Q1157 VanDerWaalsContact C-N 3.28Å; Q1155-Q1157 PolarHBondContact O-N 2.96Å; Q1155-R1158 PolarHBondContact O-N 2.69Å; Q1155-I1159 WeakPolarHBondContact O-CG1 3.36Å; Q1155-I1159 PolarHBondContact O-N 3.02Å |
| 1156 | K | 91.8 | Very high | 88.5 | Confident | 43 Ų | 43 | 36.6 Ų | 36.6 | 19% | 0.187 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.8 | -41.5 | 175.5 | -63.4 | 176.4 | -174.3 | -168.4 | 0 | 111.4 | P1095 L1097 R1147 G1148 L1151 S1152 G1153 I1159 A1160 | P1095-K1156 HydrophobicContact CG-CB 3.64Å; L1097-K1156 HydrophobicContact CD1-CB 4.22Å; L1097-K1156 HydrophobicContact CD1-CG 4Å; R1147-K1156 WeakPolarHBondContact O-CE 3.33Å; R1147-K1156 PolarHBondContact O-NZ 2.96Å; G1148-K1156 WeakPolarHBondContact O-CE 3.43Å; G1148-K1156 PolarHBondContact O-NZ 3.23Å; L1151-K1156 HydrophobicContact CB-CG 3.9Å; L1151-K1156 WeakPolarHBondContact O-CE 3.43Å; S1152-K1156 WeakPolarHBondContact O-CG 3.43Å; S1152-K1156 PolarHBondContact O-N 3.07Å; G1153-K1156 PolarHBondContact O-N 3.28Å; K1156-I1159 PolarHBondContact O-N 3.21Å; K1156-A1160 PolarHBondContact O-N 3.24Å |
| 1157 | Q | 91.5 | Very high | 89.1 | Confident | 3 Ų | 3 | 31.7 Ų | 31.7 | 1% | 0.014 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.1 | -46.3 | 179.7 | -157.6 | 64.6 | 0.2 | 0 | 0 | 111.5 | V1091 S1092 G1153 Q1155 I1159 A1160 I1161 A1177 V1189 | V1091-Q1157 VanDerWaalsContact CG1-NE2 3.32Å; S1092-Q1157 PolarHBondContact O-NE2 2.93Å; G1153-Q1157 PolarHBondContact O-N 2.87Å; Q1155-Q1157 VanDerWaalsContact C-N 3.28Å; Q1155-Q1157 PolarHBondContact O-N 2.96Å; Q1157-I1159 VanDerWaalsContact C-N 3.32Å; Q1157-I1159 PolarHBondContact O-N 3.35Å; Q1157-A1160 CarbonylContact O-C 3.53Å; Q1157-A1160 WeakPolarHBondContact O-CA 3.48Å; Q1157-A1160 WeakPolarHBondContact O-CB 3.31Å; Q1157-A1160 PolarHBondContact O-N 3.33Å; Q1157-I1161 WeakPolarHBondContact O-CG1 3.49Å; Q1157-I1161 PolarHBondContact O-N 3.31Å; Q1157-A1177 VanDerWaalsContact CD-O 3.26Å; Q1157-A1177 VanDerWaalsContact CG-O 3.28Å; Q1157-A1177 WeakPolarHBondContact CG-O 3.41Å; Q1157-A1177 VanDerWaalsContact NE2-CA 3.27Å; Q1157-A1177 PolarHBondContact NE2-O 3.19Å; Q1157-V1189 HydrophobicContact CB-CG1 4.28Å; Q1157-V1189 HydrophobicContact CB-CG2 4.07Å; Q1157-V1189 HydrophobicContact CG-CG1 3.73Å; Q1157-V1189 HydrophobicContact CG-CG2 4.42Å |
| 1158 | R | 92.9 | Very high | 90 | Very high | 32 Ų | 32 | 30.4 Ų | 30.4 | 12% | 0.121 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.1 | -35 | 175.1 | -70.3 | -175.6 | -77.8 | 177.6 | -5.9 | 113.5 | A1127 N1128 I1129 G1154 Q1155 A1160 I1161 A1162 V1189 | A1127-R1158 VanDerWaalsContact CB-O 3.32Å; A1127-R1158 WeakPolarHBondContact CB-O 3.31Å; A1127-R1158 WeakPolarHBondContact O-CB 3.47Å; A1127-R1158 VanDerWaalsContact O-CD 3.22Å; A1127-R1158 WeakPolarHBondContact O-CD 3.29Å; A1127-R1158 VanDerWaalsContact O-CG 3.29Å; A1127-R1158 WeakPolarHBondContact O-CG 3.47Å; N1128-R1158 PolarHBondContact O-NH1 2.87Å; I1129-R1158 HydrophobicContact CB-CB 3.87Å; I1129-R1158 HydrophobicContact CD1-CB 4.02Å; I1129-R1158 HydrophobicContact CG1-CB 4.16Å; G1154-R1158 WeakPolarHBondContact O-CG 3.37Å; G1154-R1158 PolarHBondContact O-N 3.03Å; G1154-R1158 VanDerWaalsContact O-N 3.12Å; Q1155-R1158 PolarHBondContact O-N 2.69Å; R1158-A1160 VanDerWaalsContact C-N 3.32Å; R1158-I1161 PolarHBondContact O-N 3.22Å; R1158-A1162 PolarHBondContact O-N 2.95Å; R1158-V1189 HydrophobicContact CG-CG2 4.01Å |
| 1159 | I | 94.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65 | -38.1 | 172.1 | -67.4 | 173.3 | 0 | 0 | 0 | 111.1 | L1097 I1102 N1105 I1106 I1129 L1151 Q1155 K1156 Q1157 A1162 R1163 | L1097-I1159 HydrophobicContact CD1-CB 4.49Å; L1097-I1159 HydrophobicContact CD1-CD1 4.11Å; L1097-I1159 HydrophobicContact CD1-CG2 4.3Å; L1097-I1159 HydrophobicContact CD2-CB 4.3Å; L1097-I1159 HydrophobicContact CD2-CG2 3.77Å; I1102-I1159 HydrophobicContact CG1-CD1 4.35Å; I1102-I1159 HydrophobicContact CG2-CD1 4.3Å; N1105-I1159 HydrophobicContact CB-CG2 4.32Å; I1106-I1159 HydrophobicContact CG1-CG2 4.08Å; I1129-I1159 HydrophobicContact CG1-CG1 4.18Å; L1151-I1159 HydrophobicContact CD1-CD1 3.31Å; Q1155-I1159 WeakPolarHBondContact O-CG1 3.36Å; Q1155-I1159 PolarHBondContact O-N 3.02Å; K1156-I1159 PolarHBondContact O-N 3.21Å; Q1157-I1159 VanDerWaalsContact C-N 3.32Å; Q1157-I1159 PolarHBondContact O-N 3.35Å; I1159-A1162 PolarHBondContact O-N 3.49Å; I1159-R1163 WeakPolarHBondContact O-CB 3.36Å; I1159-R1163 PolarHBondContact O-N 3.43Å |
| 1160 | A | 93.3 | Very high | 91.2 | Very high | 6 Ų | 6 | 28.6 Ų | 28.6 | 5% | 0.05 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.6 | -37 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | P1095 K1156 Q1157 R1158 R1163 A1164 | P1095-A1160 HydrophobicContact CB-CB 3.51Å; K1156-A1160 PolarHBondContact O-N 3.24Å; Q1157-A1160 CarbonylContact O-C 3.53Å; Q1157-A1160 WeakPolarHBondContact O-CA 3.48Å; Q1157-A1160 WeakPolarHBondContact O-CB 3.31Å; Q1157-A1160 PolarHBondContact O-N 3.33Å; R1158-A1160 VanDerWaalsContact C-N 3.32Å; A1160-R1163 WeakPolarHBondContact O-CB 3.28Å; A1160-R1163 PolarHBondContact O-N 3.14Å; A1160-A1164 WeakPolarHBondContact O-CB 3.47Å; A1160-A1164 PolarHBondContact O-N 3.29Å |
| 1161 | I | 93.5 | Very high | 91.6 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.6 | -48.3 | 171.5 | -63.8 | 166.7 | 0 | 0 | 0 | 109.8 | V1091 A1127 Q1157 R1158 R1163 A1164 L1165 V1189 A1192 L1193 A1196 | V1091-I1161 HydrophobicContact CG1-CG1 4.09Å; V1091-I1161 HydrophobicContact CG2-CG1 4.11Å; A1127-I1161 HydrophobicContact CB-CB 4.02Å; A1127-I1161 HydrophobicContact CB-CG2 3.82Å; Q1157-I1161 WeakPolarHBondContact O-CG1 3.49Å; Q1157-I1161 PolarHBondContact O-N 3.31Å; R1158-I1161 PolarHBondContact O-N 3.22Å; I1161-R1163 VanDerWaalsContact C-N 3.32Å; I1161-R1163 PolarHBondContact O-N 3.16Å; I1161-A1164 PolarHBondContact O-N 3.43Å; I1161-A1164 VanDerWaalsContact O-N 3.11Å; I1161-L1165 HydrophobicContact CG2-CD1 3.89Å; I1161-L1165 HydrophobicContact CG2-CG 4.31Å; I1161-L1165 WeakPolarHBondContact O-CG 3.35Å; I1161-L1165 PolarHBondContact O-N 3.42Å; I1161-V1189 HydrophobicContact CD1-CG1 4.18Å; I1161-A1192 HydrophobicContact CD1-CB 4.15Å; I1161-L1193 HydrophobicContact CD1-CD2 3.54Å; I1161-L1193 HydrophobicContact CD1-CG 3.81Å; I1161-L1193 HydrophobicContact CG1-CD2 3.8Å; I1161-A1196 HydrophobicContact CG2-CB 4.16Å |
| 1162 | A | 94.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57.6 | -44.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1106 A1123 A1127 R1158 I1159 A1164 L1165 V1166 | I1106-A1162 HydrophobicContact CD1-CB 4.13Å; I1106-A1162 HydrophobicContact CG1-CB 4.08Å; I1106-A1162 HydrophobicContact CG2-CB 4.19Å; A1123-A1162 HydrophobicContact CB-CB 4.44Å; A1127-A1162 HydrophobicContact CB-CB 3.81Å; R1158-A1162 PolarHBondContact O-N 2.95Å; I1159-A1162 PolarHBondContact O-N 3.49Å; A1162-A1164 VanDerWaalsContact C-N 3.33Å; A1162-A1164 PolarHBondContact O-N 3.43Å; A1162-L1165 PolarHBondContact O-N 2.88Å; A1162-V1166 WeakPolarHBondContact O-CG2 3.31Å; A1162-V1166 PolarHBondContact O-N 3.3Å |
| 1163 | R | 94.4 | Very high | 92.2 | Very high | 4 Ų | 4 | 18.8 Ų | 18.8 | 2% | 0.015 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58 | -42.8 | 174.8 | -176.2 | -169.2 | -58.3 | 170.9 | 2.5 | 112.2 | F232 T1096 N1105 G1109 I1159 A1160 I1161 | F232-R1163 HydrophobicContact CD1-CG 4.48Å; F232-R1163 HydrophobicContact CE1-CG 3.97Å; F232-R1163 HydrophobicContact CE2-CG 4.37Å; F232-R1163 HydrophobicContact CZ-CG 3.92Å; T1096-R1163 PolarHBondContact O-NH1 3.48Å; T1096-R1163 PolarHBondContact O-NH2 3.26Å; N1105-R1163 WeakPolarHBondContact O-CG 3.47Å; N1105-R1163 PolarHBondContact O-NE 3.42Å; N1105-R1163 PolarHBondContact OD1-NH2 2.93Å; G1109-R1163 WeakPolarHBondContact CA-O 3.42Å; I1159-R1163 WeakPolarHBondContact O-CB 3.36Å; I1159-R1163 PolarHBondContact O-N 3.43Å; A1160-R1163 WeakPolarHBondContact O-CB 3.28Å; A1160-R1163 PolarHBondContact O-N 3.14Å; I1161-R1163 VanDerWaalsContact C-N 3.32Å; I1161-R1163 PolarHBondContact O-N 3.16Å |
| 1164 | A | 93.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -66.7 | -37.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | V1091 A1160 I1161 A1162 R1167 P1169 L1172 | V1091-A1164 HydrophobicContact CG2-CB 3.92Å; A1160-A1164 WeakPolarHBondContact O-CB 3.47Å; A1160-A1164 PolarHBondContact O-N 3.29Å; I1161-A1164 PolarHBondContact O-N 3.43Å; I1161-A1164 VanDerWaalsContact O-N 3.11Å; A1162-A1164 VanDerWaalsContact C-N 3.33Å; A1162-A1164 PolarHBondContact O-N 3.43Å; A1164-R1167 VanDerWaalsContact O-CG 3.29Å; A1164-R1167 WeakPolarHBondContact O-CG 3.48Å; A1164-P1169 VanDerWaalsContact O-CD 3.29Å; A1164-P1169 WeakPolarHBondContact O-CD 3.27Å; A1164-P1169 WeakPolarHBondContact O-CG 3.27Å; A1164-L1172 HydrophobicContact CB-CD1 4.39Å |
| 1165 | L | 93.2 | Very high | 92.6 | Very high | 15 Ų | 15 | 18 Ų | 18 | 8% | 0.079 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -77.3 | -29.2 | -177 | -70.9 | 177.9 | 0 | 0 | 0 | 114.4 | A1123 A1126 I1161 A1162 R1167 K1168 A1196 | A1123-L1165 HydrophobicContact CB-CB 4.32Å; A1126-L1165 HydrophobicContact CB-CD1 3.78Å; I1161-L1165 HydrophobicContact CG2-CD1 3.89Å; I1161-L1165 HydrophobicContact CG2-CG 4.31Å; I1161-L1165 WeakPolarHBondContact O-CG 3.35Å; I1161-L1165 PolarHBondContact O-N 3.42Å; A1162-L1165 PolarHBondContact O-N 2.88Å; L1165-R1167 PolarHBondContact O-N 3.42Å; L1165-R1167 VanDerWaalsContact O-N 3.14Å; L1165-K1168 WeakPolarHBondContact O-CA 3.31Å; L1165-K1168 PolarHBondContact O-N 2.67Å; L1165-A1196 HydrophobicContact CD1-CB 4.07Å; L1165-A1196 HydrophobicContact CD2-CB 3.98Å; L1165-A1196 HydrophobicContact CG-CB 4.37Å |
| 1166 | V | 92.9 | Very high | 92.4 | Very high | 4 Ų | 4 | 17.6 Ų | 17.6 | 2% | 0.024 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -52.8 | -37.3 | 179.9 | 160.5 | 0 | 0 | 0 | 0 | 112.9 | I1106 D1110 V1115 A1123 A1162 K1168 | I1106-V1166 HydrophobicContact CG2-CG2 3.38Å; D1110-V1166 HydrophobicContact CB-CG1 4.42Å; V1115-V1166 HydrophobicContact CB-CG1 4.3Å; V1115-V1166 HydrophobicContact CG1-CG1 3.54Å; V1115-V1166 HydrophobicContact CG2-CG1 3.78Å; A1123-V1166 HydrophobicContact CB-CB 4.43Å; A1123-V1166 HydrophobicContact CB-CG2 3.45Å; A1123-V1166 VanDerWaalsContact CB-CG2 3.45Å; A1162-V1166 WeakPolarHBondContact O-CG2 3.31Å; A1162-V1166 PolarHBondContact O-N 3.3Å; V1166-K1168 VanDerWaalsContact C-N 3.27Å; V1166-K1168 PolarHBondContact O-N 2.96Å |
| 1167 | R | 88.8 | Confident | 92.1 | Very high | 31 Ų | 31 | 15.8 Ų | 15.8 | 12% | 0.117 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -1.8 | 178.9 | 62.8 | 165.8 | 44.8 | 176.6 | -9.2 | 114.8 | F232 R1085 I1088 G1109 D1110 A1164 L1165 P1169 | F232-R1167 PolarHBondContact O-NH2 3.22Å; R1085-R1167 PolarHBondContact O-NH1 3.42Å; I1088-R1167 WeakPolarHBondContact O-CD 3.45Å; I1088-R1167 PolarHBondContact O-NH1 2.93Å; G1109-R1167 PolarHBondContact O-NE 3.27Å; G1109-R1167 PolarHBondContact O-NH2 3.14Å; D1110-R1167 HydrophobicContact CB-CB 4.22Å; A1164-R1167 VanDerWaalsContact O-CG 3.29Å; A1164-R1167 WeakPolarHBondContact O-CG 3.48Å; L1165-R1167 PolarHBondContact O-N 3.42Å; L1165-R1167 VanDerWaalsContact O-N 3.14Å; R1167-P1169 HydrophobicContact CG-CB 4.41Å |
| 1168 | K | 90.1 | Very high | 91.7 | Very high | 123 Ų | 123 | 15.9 Ų | 15.9 | 54% | 0.535 | 8% | 0.077 | S | C | . | . | trans | 50.7 | 61.8 | -176.6 | -60.8 | 179.6 | 177.8 | 178.9 | 0 | 112.1 | L1165 V1166 | L1165-K1168 WeakPolarHBondContact O-CA 3.31Å; L1165-K1168 PolarHBondContact O-N 2.67Å; V1166-K1168 VanDerWaalsContact C-N 3.27Å; V1166-K1168 PolarHBondContact O-N 2.96Å | ||
| 1169 | P | 91.9 | Very high | 90.9 | Very high | 5 Ų | 5 | 15.2 Ų | 15.2 | 3% | 0.032 | 8% | 0.077 | C | C | . | . | trans | -69.6 | 147.5 | -173.3 | 31.8 | -35.6 | 0 | 0 | 0 | 111.7 | A1164 R1167 L1172 R1200 | A1164-P1169 VanDerWaalsContact O-CD 3.29Å; A1164-P1169 WeakPolarHBondContact O-CD 3.27Å; A1164-P1169 WeakPolarHBondContact O-CG 3.27Å; R1167-P1169 HydrophobicContact CG-CB 4.41Å; P1169-L1172 HydrophobicContact CG-CD1 4.43Å; P1169-R1200 WeakPolarHBondContact O-CD 3.5Å | ||
| 1170 | V | 92.2 | Very high | 89.9 | Confident | 44 Ų | 44 | 19.9 Ų | 19.9 | 27% | 0.267 | 12% | 0.115 | S | C | . | . | S | Bend | trans | -81.8 | -35.2 | 172.8 | -179.7 | 0 | 0 | 0 | 0 | 110.8 | F1002 Q1087 T1201 | F1002-V1170 HydrophobicContact CD1-CB 3.99Å; F1002-V1170 HydrophobicContact CD1-CG1 3.99Å; F1002-V1170 HydrophobicContact CE1-CG1 4.44Å; F1002-V1170 WeakPolarHBondContact O-CG1 3.3Å; Q1087-V1170 PolarHBondContact O-N 2.91Å; V1170-T1201 PolarHBondContact O-N 3.14Å |
| 1171 | L | 93.4 | Very high | 89.2 | Confident | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 119.5 | 176.9 | 178.8 | 64.1 | 0 | 0 | 0 | 110.1 | F1002 V1006 V1054 F1071 Q1087 I1088 G1089 V1173 T1201 | F1002-L1171 HydrophobicContact CE1-CB 4.02Å; V1006-L1171 HydrophobicContact CG2-CD1 4.24Å; V1006-L1171 HydrophobicContact CG2-CD2 3.68Å; V1054-L1171 HydrophobicContact CG1-CD2 3.68Å; F1071-L1171 HydrophobicContact CZ-CD2 4Å; Q1087-L1171 PolarHBondContact O-N 2.84Å; I1088-L1171 CarbonylContact C-O 3.54Å; I1088-L1171 VanDerWaalsContact CA-O 3.3Å; I1088-L1171 WeakPolarHBondContact CA-O 3.29Å; I1088-L1171 HydrophobicContact CG1-CB 4.48Å; I1088-L1171 HydrophobicContact CG1-CD2 4.16Å; G1089-L1171 PolarHBondContact N-O 3.46Å; L1171-V1173 HydrophobicContact CD2-CG2 4.4Å; L1171-V1173 HydrophobicContact CG-CG2 4.19Å; L1171-T1201 CarbonylContact C-O 3.6Å; L1171-T1201 WeakPolarHBondContact CA-O 3.5Å; L1171-T1201 HydrophobicContact CD1-CG2 3.89Å |
| 1172 | L | 93.9 | Very high | 88.7 | Confident | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 126.5 | 173.4 | -167.3 | 66.1 | 0 | 0 | 0 | 109.4 | A1164 P1169 L1174 A1196 M1197 T1201 S1202 L1203 | A1164-L1172 HydrophobicContact CB-CD1 4.39Å; P1169-L1172 HydrophobicContact CG-CD1 4.43Å; L1172-L1174 HydrophobicContact CD1-CD2 4.32Å; L1172-L1174 HydrophobicContact CD2-CD1 4.37Å; L1172-L1174 HydrophobicContact CD2-CD2 3.96Å; L1172-L1174 HydrophobicContact CD2-CG 4.31Å; L1172-L1174 HydrophobicContact CG-CD2 3.8Å; L1172-L1174 HydrophobicContact CG-CG 4.19Å; L1172-A1196 HydrophobicContact CD2-CB 3.98Å; L1172-M1197 HydrophobicContact CD2-CG 4.03Å; L1172-T1201 PolarHBondContact N-O 3.26Å; L1172-S1202 CarbonylContact O-C 3.56Å; L1172-S1202 WeakPolarHBondContact O-CA 3.28Å; L1172-L1203 PolarHBondContact O-N 3.21Å |
| 1173 | V | 93.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 114 | 179.2 | 172.9 | 0 | 0 | 0 | 0 | 108.5 | L1051 V1054 I1088 G1089 L1090 V1091 L1171 | L1051-V1173 HydrophobicContact CB-CG1 3.86Å; L1051-V1173 HydrophobicContact CD1-CG1 3.75Å; L1051-V1173 HydrophobicContact CD2-CG1 3.86Å; L1051-V1173 HydrophobicContact CG-CG1 4.02Å; V1054-V1173 HydrophobicContact CG1-CG2 4.4Å; I1088-V1173 HydrophobicContact CG2-CB 4.04Å; I1088-V1173 HydrophobicContact CG2-CG2 3.59Å; G1089-V1173 PolarHBondContact O-N 3.35Å; L1090-V1173 HydrophobicContact CD1-CB 4.36Å; L1090-V1173 HydrophobicContact CD1-CG1 3.94Å; V1091-V1173 PolarHBondContact N-O 3.06Å; L1171-V1173 HydrophobicContact CD2-CG2 4.4Å; L1171-V1173 HydrophobicContact CG-CG2 4.19Å |
| 1174 | L | 92.2 | Very high | 87.2 | Confident | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 109.4 | -178 | -54.6 | -177.6 | 0 | 0 | 0 | 108.7 | V1091 L1172 A1177 L1193 M1197 L1203 V1204 V1205 | V1091-L1174 HydrophobicContact CB-CD2 3.64Å; V1091-L1174 HydrophobicContact CG1-CD2 4.49Å; V1091-L1174 HydrophobicContact CG2-CD2 3.69Å; L1172-L1174 HydrophobicContact CD1-CD2 4.32Å; L1172-L1174 HydrophobicContact CD2-CD1 4.37Å; L1172-L1174 HydrophobicContact CD2-CD2 3.96Å; L1172-L1174 HydrophobicContact CD2-CG 4.31Å; L1172-L1174 HydrophobicContact CG-CD2 3.8Å; L1172-L1174 HydrophobicContact CG-CG 4.19Å; L1174-A1177 HydrophobicContact CB-CB 4.49Å; L1174-L1193 HydrophobicContact CD1-CD2 3.9Å; L1174-L1193 HydrophobicContact CD2-CD2 3.68Å; L1174-L1193 HydrophobicContact CG-CD2 4.43Å; L1174-M1197 HydrophobicContact CD1-CG 3.97Å; L1174-M1197 HydrophobicContact CD1-SD 3.81Å; L1174-L1203 PolarHBondContact N-O 3.09Å; L1174-V1204 HydrophobicContact CB-CB 4.47Å; L1174-V1204 HydrophobicContact CB-CG1 4.16Å; L1174-V1204 HydrophobicContact CB-CG2 4.32Å; L1174-V1204 HydrophobicContact CD1-CG1 4.42Å; L1174-V1204 HydrophobicContact CD1-CG2 3.91Å; L1174-V1204 HydrophobicContact CG-CG2 4.37Å; L1174-V1205 PolarHBondContact O-N 3.05Å |
| 1175 | D | 90.7 | Very high | 86.8 | Confident | 24 Ų | 24 | 38.2 Ų | 38.2 | 13% | 0.128 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 95.5 | -179.9 | -164.6 | 13.6 | 0 | 0 | 0 | 109.6 | S1048 L1051 V1091 S1092 Q1093 A1177 | S1048-D1175 WeakPolarHBondContact CB-OD1 3.32Å; S1048-D1175 PolarHBondContact OG-OD1 2.97Å; L1051-D1175 HydrophobicContact CD1-CB 3.49Å; L1051-D1175 VanDerWaalsContact CD1-CB 3.49Å; V1091-D1175 PolarHBondContact O-N 3.14Å; S1092-D1175 CarbonylContact C-O 3.53Å; Q1093-D1175 VanDerWaalsContact CA-O 3.29Å; Q1093-D1175 WeakPolarHBondContact CA-O 3.38Å; Q1093-D1175 PolarHBondContact N-O 3.4Å; D1175-A1177 PolarHBondContact O-N 3.35Å; D1175-A1177 VanDerWaalsContact O-N 3.15Å |
| 1176 | E | 87.4 | Confident | 86.3 | Confident | 26 Ų | 26 | 38.4 Ų | 38.4 | 12% | 0.121 | 21% | 0.21 | C | C | . | . | S | Bend | trans | 51 | 39.8 | 178.8 | -58.8 | -173.8 | 176 | 0 | 0 | 113.7 | Q1093 T1178 S1179 V1205 | Q1093-E1176 HydrophobicContact CB-CB 4.22Å; Q1093-E1176 HydrophobicContact CG-CB 4.47Å; Q1093-E1176 PolarHBondContact NE2-OE2 3.47Å; E1176-T1178 PolarHBondContact O-N 3.28Å; E1176-S1179 WeakPolarHBondContact O-CB 3.49Å; E1176-S1179 PolarHBondContact O-N 3.12Å; E1176-S1179 PolarHBondContact O-OG 3.06Å; E1176-V1205 VanDerWaalsContact CA-O 3.25Å; E1176-V1205 WeakPolarHBondContact CA-O 3.49Å; E1176-V1205 HydrophobicContact CG-CG1 3.82Å; E1176-V1205 PolarHBondContact N-O 3.33Å |
| 1177 | A | 85.1 | Confident | 86 | Confident | 5 Ų | 5 | 45.4 Ų | 45.4 | 4% | 0.041 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -14.3 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | V1091 Q1157 L1174 D1175 L1193 | V1091-A1177 HydrophobicContact CG1-CB 3.87Å; Q1157-A1177 VanDerWaalsContact CD-O 3.26Å; Q1157-A1177 VanDerWaalsContact CG-O 3.28Å; Q1157-A1177 WeakPolarHBondContact CG-O 3.41Å; Q1157-A1177 VanDerWaalsContact NE2-CA 3.27Å; Q1157-A1177 PolarHBondContact NE2-O 3.19Å; L1174-A1177 HydrophobicContact CB-CB 4.49Å; D1175-A1177 PolarHBondContact O-N 3.35Å; D1175-A1177 VanDerWaalsContact O-N 3.15Å; A1177-L1193 HydrophobicContact CB-CD1 3.78Å; A1177-L1193 HydrophobicContact CB-CD2 4.37Å |
| 1178 | T | 84.2 | Confident | 85.8 | Confident | 6 Ų | 6 | 46 Ų | 46 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | -0.9 | 177.7 | 52.9 | 0 | 0 | 0 | 0 | 114 | E1176 E1186 V1189 Q1190 L1193 T1211 | E1176-T1178 PolarHBondContact O-N 3.28Å; T1178-E1186 HydrophobicContact CG2-CG 4.45Å; T1178-V1189 HydrophobicContact CG2-CG1 4.31Å; T1178-Q1190 VanDerWaalsContact CG2-OE1 3.26Å; T1178-L1193 HydrophobicContact CG2-CD1 3.89Å; T1178-T1211 HydrophobicContact CG2-CG2 3.93Å; T1178-T1211 WeakPolarHBondContact OG1-CG2 3.37Å |
| 1179 | S | 75.6 | Confident | 85.7 | Confident | 18 Ų | 18 | 40.1 Ų | 40.1 | 13% | 0.126 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | 149 | 177.8 | 64.2 | 0 | 0 | 0 | 0 | 111.1 | Q1093 E1176 L1181 | Q1093-S1179 VanDerWaalsContact CG-OG 3.24Å; Q1093-S1179 WeakPolarHBondContact CG-OG 3.38Å; Q1093-S1179 PolarHBondContact NE2-OG 2.98Å; E1176-S1179 WeakPolarHBondContact O-CB 3.49Å; E1176-S1179 PolarHBondContact O-N 3.12Å; E1176-S1179 PolarHBondContact O-OG 3.06Å; S1179-L1181 PolarHBondContact O-N 3.32Å |
| 1180 | A | 72.4 | Confident | 85.5 | Confident | 97 Ų | 97 | 41.2 Ų | 41.2 | 80% | 0.802 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 18.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1181 | L | 80.1 | Confident | 85.2 | Confident | 16 Ų | 16 | 43.1 Ų | 43.1 | 8% | 0.084 | 23% | 0.226 | C | C | . | . | trans | -95.9 | 148.1 | 169.9 | -62 | 178.5 | 0 | 0 | 0 | 111.4 | G1154 S1179 E1186 V1189 | G1154-L1181 VanDerWaalsContact CA-CD2 3.49Å; S1179-L1181 PolarHBondContact O-N 3.32Å; L1181-E1186 HydrophobicContact CB-CB 4.08Å; L1181-V1189 HydrophobicContact CD1-CB 3.82Å; L1181-V1189 HydrophobicContact CD1-CG1 3.89Å; L1181-V1189 HydrophobicContact CD1-CG2 3.75Å | ||
| 1182 | D | 81.8 | Confident | 84.9 | Confident | 95 Ų | 95 | 43 Ų | 43 | 51% | 0.508 | 23% | 0.226 | S | C | . | . | trans | -69 | 157.3 | 164.6 | 60 | 47.1 | 0 | 0 | 0 | 110.5 | E1184 S1185 E1186 | D1182-E1184 PolarHBondContact O-N 3.08Å; D1182-E1184 VanDerWaalsContact O-N 3.15Å; D1182-E1184 PolarHBondContact OD1-N 3.03Å; D1182-S1185 PolarHBondContact O-N 3.11Å; D1182-S1185 WeakPolarHBondContact OD1-CA 3.42Å; D1182-S1185 WeakPolarHBondContact OD1-CB 3.37Å; D1182-S1185 PolarHBondContact OD1-N 3.44Å; D1182-S1185 PolarHBondContact OD1-OG 2.95Å; D1182-S1185 PolarHBondContact OD2-OG 3.42Å; D1182-E1186 WeakPolarHBondContact O-CB 3.38Å; D1182-E1186 PolarHBondContact O-N 3.47Å | ||
| 1183 | N | 78.6 | Confident | 84.7 | Confident | 123 Ų | 123 | 43.2 Ų | 43.2 | 66% | 0.658 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -59.3 | -30.8 | -172.1 | -66.1 | -6.2 | 0 | 0 | 0 | 113.3 | R1187 | N1183-R1187 PolarHBondContact O-N 3.31Å |
| 1184 | E | 80.4 | Confident | 84.3 | Confident | 144 Ų | 144 | 45.6 Ų | 45.6 | 67% | 0.673 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -74.6 | -48.6 | 178.6 | -172.9 | 179.4 | 178.7 | 0 | 0 | 111.4 | D1182 E1186 R1187 I1188 | D1182-E1184 PolarHBondContact O-N 3.08Å; D1182-E1184 VanDerWaalsContact O-N 3.15Å; D1182-E1184 PolarHBondContact OD1-N 3.03Å; E1184-E1186 VanDerWaalsContact C-N 3.28Å; E1184-E1186 PolarHBondContact O-N 2.92Å; E1184-R1187 PolarHBondContact O-N 3.12Å; E1184-I1188 HydrophobicContact CG-CD1 4.49Å; E1184-I1188 WeakPolarHBondContact O-CG1 3.34Å; E1184-I1188 PolarHBondContact O-N 3.45Å |
| 1185 | S | 83.6 | Confident | 84 | Confident | 20 Ų | 20 | 48.5 Ų | 48.5 | 14% | 0.14 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.2 | -38.3 | 175.3 | -63.9 | 0 | 0 | 0 | 0 | 111.5 | D1182 I1188 V1189 | D1182-S1185 PolarHBondContact O-N 3.11Å; D1182-S1185 WeakPolarHBondContact OD1-CA 3.42Å; D1182-S1185 WeakPolarHBondContact OD1-CB 3.37Å; D1182-S1185 PolarHBondContact OD1-N 3.44Å; D1182-S1185 PolarHBondContact OD1-OG 2.95Å; D1182-S1185 PolarHBondContact OD2-OG 3.42Å; S1185-I1188 PolarHBondContact O-N 3.29Å; S1185-V1189 WeakPolarHBondContact O-CB 3.28Å; S1185-V1189 WeakPolarHBondContact O-CG2 3.5Å; S1185-V1189 PolarHBondContact O-N 3.36Å |
| 1186 | E | 84.3 | Confident | 83.8 | Confident | 18 Ų | 18 | 47.4 Ų | 47.4 | 8% | 0.084 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.8 | -48.8 | 176.2 | 179 | -175.1 | -168.4 | 0 | 0 | 111.2 | T1178 L1181 D1182 E1184 I1188 V1189 Q1190 R1208 | T1178-E1186 HydrophobicContact CG2-CG 4.45Å; L1181-E1186 HydrophobicContact CB-CB 4.08Å; D1182-E1186 WeakPolarHBondContact O-CB 3.38Å; D1182-E1186 PolarHBondContact O-N 3.47Å; E1184-E1186 VanDerWaalsContact C-N 3.28Å; E1184-E1186 PolarHBondContact O-N 2.92Å; E1186-I1188 VanDerWaalsContact C-N 3.32Å; E1186-I1188 PolarHBondContact O-N 3.36Å; E1186-V1189 PolarHBondContact O-N 2.72Å; E1186-Q1190 VanDerWaalsContact O-CB 3.27Å; E1186-Q1190 WeakPolarHBondContact O-CB 3.28Å; E1186-Q1190 PolarHBondContact O-N 3.23Å; E1186-R1208 WeakPolarHBondContact OE1-CD 3.25Å; E1186-R1208 IonicContact OE1-CZ 3.16Å; E1186-R1208 IonicContact OE1-NE 3.29Å; E1186-R1208 IonicContact OE1-NH1 3.49Å; E1186-R1208 PolarHBondContact OE1-NH1 3.39Å; E1186-R1208 IonicContact OE2-CZ 3.02Å; E1186-R1208 IonicContact OE2-NH1 2.83Å; E1186-R1208 PolarHBondContact OE2-NH1 3.42Å |
| 1187 | R | 84.7 | Confident | 83.8 | Confident | 152 Ų | 152 | 46.9 Ų | 46.9 | 57% | 0.574 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -57.7 | -46.5 | 178.5 | -171.5 | 178.9 | 70.6 | 99.6 | -8.7 | 111.5 | N1183 E1184 Q1190 E1191 | N1183-R1187 PolarHBondContact O-N 3.31Å; E1184-R1187 PolarHBondContact O-N 3.12Å; R1187-Q1190 PolarHBondContact O-N 3.08Å; R1187-E1191 IonicContact CZ-OE1 2.89Å; R1187-E1191 IonicContact NH1-OE1 3.88Å; R1187-E1191 PolarHBondContact NH1-OE1 3.25Å; R1187-E1191 WeakPolarHBondContact O-CG 3.46Å; R1187-E1191 PolarHBondContact O-N 3Å |
| 1188 | I | 86.3 | Confident | 83.5 | Confident | 42 Ų | 42 | 49.3 Ų | 49.3 | 22% | 0.215 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.2 | -39.5 | -179.4 | -60.5 | 167.8 | 0 | 0 | 0 | 111.4 | E1184 S1185 E1186 A1192 | E1184-I1188 HydrophobicContact CG-CD1 4.49Å; E1184-I1188 WeakPolarHBondContact O-CG1 3.34Å; E1184-I1188 PolarHBondContact O-N 3.45Å; S1185-I1188 PolarHBondContact O-N 3.29Å; E1186-I1188 VanDerWaalsContact C-N 3.32Å; E1186-I1188 PolarHBondContact O-N 3.36Å; I1188-A1192 PolarHBondContact O-N 3.48Å |
| 1189 | V | 88 | Confident | 83.3 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.7 | -40.4 | 175.8 | 168 | 0 | 0 | 0 | 0 | 110.7 | Q1157 R1158 I1161 T1178 L1181 S1185 E1186 A1192 L1193 | Q1157-V1189 HydrophobicContact CB-CG1 4.28Å; Q1157-V1189 HydrophobicContact CB-CG2 4.07Å; Q1157-V1189 HydrophobicContact CG-CG1 3.73Å; Q1157-V1189 HydrophobicContact CG-CG2 4.42Å; R1158-V1189 HydrophobicContact CG-CG2 4.01Å; I1161-V1189 HydrophobicContact CD1-CG1 4.18Å; T1178-V1189 HydrophobicContact CG2-CG1 4.31Å; L1181-V1189 HydrophobicContact CD1-CB 3.82Å; L1181-V1189 HydrophobicContact CD1-CG1 3.89Å; L1181-V1189 HydrophobicContact CD1-CG2 3.75Å; S1185-V1189 WeakPolarHBondContact O-CB 3.28Å; S1185-V1189 WeakPolarHBondContact O-CG2 3.5Å; S1185-V1189 PolarHBondContact O-N 3.36Å; E1186-V1189 PolarHBondContact O-N 2.72Å; V1189-A1192 CarbonylContact O-C 3.51Å; V1189-A1192 WeakPolarHBondContact O-CB 3.41Å; V1189-A1192 PolarHBondContact O-N 3.19Å; V1189-L1193 HydrophobicContact CG1-CD1 4.06Å; V1189-L1193 HydrophobicContact CG1-CG 4.3Å; V1189-L1193 WeakPolarHBondContact O-CG 3.48Å; V1189-L1193 PolarHBondContact O-N 3.4Å |
| 1190 | Q | 86.5 | Confident | 84 | Confident | 28 Ų | 28 | 57.1 Ų | 57.1 | 13% | 0.131 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 177.9 | -171.8 | 61.2 | 31 | 0 | 0 | 111.2 | T1178 E1186 R1187 A1192 L1193 D1194 | T1178-Q1190 VanDerWaalsContact CG2-OE1 3.26Å; E1186-Q1190 VanDerWaalsContact O-CB 3.27Å; E1186-Q1190 WeakPolarHBondContact O-CB 3.28Å; E1186-Q1190 PolarHBondContact O-N 3.23Å; R1187-Q1190 PolarHBondContact O-N 3.08Å; Q1190-A1192 PolarHBondContact O-N 3.38Å; Q1190-L1193 PolarHBondContact O-N 3.42Å; Q1190-D1194 PolarHBondContact NE2-OD1 3.38Å; Q1190-D1194 PolarHBondContact O-N 2.94Å |
| 1191 | E | 86.4 | Confident | 85 | Confident | 85 Ų | 85 | 52.6 Ų | 52.6 | 40% | 0.397 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -56.8 | -40 | 173.4 | -73.8 | 170.2 | -167.2 | 0 | 0 | 111.5 | R1187 A1195 | R1187-E1191 IonicContact CZ-OE1 2.89Å; R1187-E1191 IonicContact NH1-OE1 3.88Å; R1187-E1191 PolarHBondContact NH1-OE1 3.25Å; R1187-E1191 WeakPolarHBondContact O-CG 3.46Å; R1187-E1191 PolarHBondContact O-N 3Å; E1191-A1195 WeakPolarHBondContact O-CB 3.48Å; E1191-A1195 PolarHBondContact O-N 2.83Å; E1191-A1195 VanDerWaalsContact O-N 3.14Å |
| 1192 | A | 88.2 | Confident | 85.6 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.9 | -35.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | N1128 I1161 I1188 V1189 Q1190 A1196 | N1128-A1192 HydrophobicContact CB-CB 4.33Å; I1161-A1192 HydrophobicContact CD1-CB 4.15Å; I1188-A1192 PolarHBondContact O-N 3.48Å; V1189-A1192 CarbonylContact O-C 3.51Å; V1189-A1192 WeakPolarHBondContact O-CB 3.41Å; V1189-A1192 PolarHBondContact O-N 3.19Å; Q1190-A1192 PolarHBondContact O-N 3.38Å; A1192-A1196 VanDerWaalsContact O-CB 3.27Å; A1192-A1196 WeakPolarHBondContact O-CB 3.31Å; A1192-A1196 PolarHBondContact O-N 3.38Å |
| 1193 | L | 88.3 | Confident | 86.2 | Confident | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.6 | -44 | 175.8 | -72.7 | 174.5 | 0 | 0 | 0 | 111.5 | I1161 L1174 A1177 T1178 V1189 Q1190 A1195 A1196 M1197 | I1161-L1193 HydrophobicContact CD1-CD2 3.54Å; I1161-L1193 HydrophobicContact CD1-CG 3.81Å; I1161-L1193 HydrophobicContact CG1-CD2 3.8Å; L1174-L1193 HydrophobicContact CD1-CD2 3.9Å; L1174-L1193 HydrophobicContact CD2-CD2 3.68Å; L1174-L1193 HydrophobicContact CG-CD2 4.43Å; A1177-L1193 HydrophobicContact CB-CD1 3.78Å; A1177-L1193 HydrophobicContact CB-CD2 4.37Å; T1178-L1193 HydrophobicContact CG2-CD1 3.89Å; V1189-L1193 HydrophobicContact CG1-CD1 4.06Å; V1189-L1193 HydrophobicContact CG1-CG 4.3Å; V1189-L1193 WeakPolarHBondContact O-CG 3.48Å; V1189-L1193 PolarHBondContact O-N 3.4Å; Q1190-L1193 PolarHBondContact O-N 3.42Å; L1193-A1195 VanDerWaalsContact C-N 3.32Å; L1193-A1195 PolarHBondContact O-N 3.43Å; L1193-A1196 CarbonylContact O-C 3.58Å; L1193-A1196 WeakPolarHBondContact O-CB 2.83Å; L1193-A1196 PolarHBondContact O-N 2.97Å; L1193-A1196 VanDerWaalsContact O-N 3.09Å; L1193-M1197 WeakPolarHBondContact O-CG 3.28Å; L1193-M1197 PolarHBondContact O-N 3.09Å |
| 1194 | D | 86.6 | Confident | 86.8 | Confident | 51 Ų | 51 | 42.3 Ų | 42.3 | 27% | 0.273 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.4 | -43.1 | 177.5 | -68.8 | -13.6 | 0 | 0 | 0 | 110.6 | Q1190 A1196 M1197 G1198 | Q1190-D1194 PolarHBondContact NE2-OD1 3.38Å; Q1190-D1194 PolarHBondContact O-N 2.94Å; D1194-A1196 VanDerWaalsContact C-N 3.33Å; D1194-A1196 PolarHBondContact O-N 3.26Å; D1194-M1197 PolarHBondContact O-N 3.38Å; D1194-M1197 WeakPolarHBondContact OD1-CE 3.4Å; D1194-G1198 PolarHBondContact O-N 3.29Å; D1194-G1198 VanDerWaalsContact O-N 3.15Å |
| 1195 | A | 85.4 | Confident | 87.3 | Confident | 63 Ų | 63 | 35.5 Ų | 35.5 | 52% | 0.521 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.6 | -36 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E1191 L1193 | E1191-A1195 WeakPolarHBondContact O-CB 3.48Å; E1191-A1195 PolarHBondContact O-N 2.83Å; E1191-A1195 VanDerWaalsContact O-N 3.14Å; L1193-A1195 VanDerWaalsContact C-N 3.32Å; L1193-A1195 PolarHBondContact O-N 3.43Å |
| 1196 | A | 86.4 | Confident | 87 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -71.5 | -40.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1161 L1165 L1172 A1192 L1193 D1194 R1200 | I1161-A1196 HydrophobicContact CG2-CB 4.16Å; L1165-A1196 HydrophobicContact CD1-CB 4.07Å; L1165-A1196 HydrophobicContact CD2-CB 3.98Å; L1165-A1196 HydrophobicContact CG-CB 4.37Å; L1172-A1196 HydrophobicContact CD2-CB 3.98Å; A1192-A1196 VanDerWaalsContact O-CB 3.27Å; A1192-A1196 WeakPolarHBondContact O-CB 3.31Å; A1192-A1196 PolarHBondContact O-N 3.38Å; L1193-A1196 CarbonylContact O-C 3.58Å; L1193-A1196 WeakPolarHBondContact O-CB 2.83Å; L1193-A1196 PolarHBondContact O-N 2.97Å; L1193-A1196 VanDerWaalsContact O-N 3.09Å; D1194-A1196 VanDerWaalsContact C-N 3.33Å; D1194-A1196 PolarHBondContact O-N 3.26Å; A1196-R1200 PolarHBondContact O-NH1 3.49Å |
| 1197 | M | 86.2 | Confident | 86.6 | Confident | 16 Ų | 16 | 38.6 Ų | 38.6 | 8% | 0.079 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.8 | -53 | 177.7 | -72.3 | -173.6 | -65.1 | 0 | 0 | 110.1 | T1036 L1172 L1174 L1193 D1194 S1199 R1200 V1204 | T1036-M1197 HydrophobicContact CG2-SD 3.75Å; L1172-M1197 HydrophobicContact CD2-CG 4.03Å; L1174-M1197 HydrophobicContact CD1-CG 3.97Å; L1174-M1197 HydrophobicContact CD1-SD 3.81Å; L1193-M1197 WeakPolarHBondContact O-CG 3.28Å; L1193-M1197 PolarHBondContact O-N 3.09Å; D1194-M1197 PolarHBondContact O-N 3.38Å; D1194-M1197 WeakPolarHBondContact OD1-CE 3.4Å; M1197-S1199 PolarHBondContact O-N 3.45Å; M1197-S1199 VanDerWaalsContact O-N 3.14Å; M1197-R1200 WeakPolarHBondContact O-CA 3.36Å; M1197-R1200 WeakPolarHBondContact O-CB 3.47Å; M1197-R1200 PolarHBondContact O-N 3.45Å; M1197-V1204 HydrophobicContact SD-CG2 3.72Å |
| 1198 | G | 80.1 | Confident | 86 | Confident | 56 Ų | 56 | 35.4 Ų | 35.4 | 58% | 0.577 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 40.3 | -118.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D1194 | D1194-G1198 PolarHBondContact O-N 3.29Å; D1194-G1198 VanDerWaalsContact O-N 3.15Å |
| 1199 | S | 80.5 | Confident | 85.3 | Confident | 111 Ų | 111 | 34.2 Ų | 34.2 | 78% | 0.776 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | 9.4 | 176.6 | 58.5 | 0 | 0 | 0 | 0 | 114.7 | M1197 | M1197-S1199 PolarHBondContact O-N 3.45Å; M1197-S1199 VanDerWaalsContact O-N 3.14Å |
| 1200 | R | 89.6 | Confident | 84.5 | Confident | 76 Ų | 76 | 37.8 Ų | 37.8 | 29% | 0.287 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -87.6 | 147.3 | -177.7 | -60.7 | 177.4 | -179.8 | 78.1 | 7.8 | 110.2 | P1169 A1196 M1197 S1202 | P1169-R1200 WeakPolarHBondContact O-CD 3.5Å; A1196-R1200 PolarHBondContact O-NH1 3.49Å; M1197-R1200 WeakPolarHBondContact O-CA 3.36Å; M1197-R1200 WeakPolarHBondContact O-CB 3.47Å; M1197-R1200 PolarHBondContact O-N 3.45Å; R1200-S1202 PolarHBondContact O-N 3.02Å; R1200-S1202 PolarHBondContact O-OG 2.89Å; R1200-S1202 VanDerWaalsContact O-OG 3.08Å |
| 1201 | T | 93.6 | Very high | 83.8 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 125.9 | 169.2 | -45 | 0 | 0 | 0 | 0 | 108.3 | G1004 V1031 G1034 V1170 L1171 L1172 | G1004-T1201 WeakPolarHBondContact O-CG2 3.46Å; G1004-T1201 PolarHBondContact O-OG1 2.88Å; V1031-T1201 HydrophobicContact CG1-CG2 3.46Å; V1031-T1201 VanDerWaalsContact CG1-CG2 3.46Å; G1034-T1201 PolarHBondContact N-OG1 2.98Å; V1170-T1201 PolarHBondContact O-N 3.14Å; L1171-T1201 CarbonylContact C-O 3.6Å; L1171-T1201 WeakPolarHBondContact CA-O 3.5Å; L1171-T1201 HydrophobicContact CD1-CG2 3.89Å; L1172-T1201 PolarHBondContact N-O 3.26Å |
| 1202 | S | 93.3 | Very high | 83.5 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 127.6 | -171.7 | -61.4 | 0 | 0 | 0 | 0 | 110.7 | Q1035 T1036 V1037 L1172 R1200 | Q1035-S1202 PolarHBondContact O-N 3.14Å; T1036-S1202 CarbonylContact C-O 3.55Å; T1036-S1202 WeakPolarHBondContact CA-O 3.09Å; V1037-S1202 PolarHBondContact N-O 3.18Å; L1172-S1202 CarbonylContact O-C 3.56Å; L1172-S1202 WeakPolarHBondContact O-CA 3.28Å; R1200-S1202 PolarHBondContact O-N 3.02Å; R1200-S1202 PolarHBondContact O-OG 2.89Å; R1200-S1202 VanDerWaalsContact O-OG 3.08Å |
| 1203 | L | 92.8 | Very high | 82.8 | Confident | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 112.2 | 174.9 | -167.2 | 66.8 | 0 | 0 | 0 | 108.6 | F1008 V1031 V1037 L1039 L1051 V1054 L1172 L1174 | F1008-L1203 HydrophobicContact CE2-CD2 4.49Å; F1008-L1203 HydrophobicContact CZ-CD2 4.17Å; V1031-L1203 HydrophobicContact CG2-CD1 4.13Å; V1037-L1203 HydrophobicContact CB-CD1 4.06Å; V1037-L1203 HydrophobicContact CG1-CD1 4.15Å; L1039-L1203 HydrophobicContact CD1-CD1 3.96Å; L1039-L1203 HydrophobicContact CD1-CD2 4.19Å; L1039-L1203 HydrophobicContact CD1-CG 4.01Å; L1039-L1203 HydrophobicContact CD2-CD1 4.38Å; L1039-L1203 HydrophobicContact CG-CD1 4.02Å; L1039-L1203 HydrophobicContact CG-CG 4.49Å; L1051-L1203 HydrophobicContact CD2-CB 4.21Å; L1051-L1203 HydrophobicContact CD2-CD2 3.3Å; L1051-L1203 HydrophobicContact CD2-CG 3.56Å; V1054-L1203 HydrophobicContact CG2-CD2 4.24Å; L1172-L1203 PolarHBondContact O-N 3.21Å; L1174-L1203 PolarHBondContact N-O 3.09Å |
| 1204 | V | 91.9 | Very high | 82.4 | Confident | 15 Ų | 15 | 43.1 Ų | 43.1 | 9% | 0.091 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 122.1 | -169.2 | -171.9 | 0 | 0 | 0 | 0 | 109.7 | T1036 V1037 A1038 L1039 L1174 M1197 A1206 | T1036-V1204 HydrophobicContact CG2-CG2 4.05Å; V1037-V1204 PolarHBondContact O-N 2.96Å; A1038-V1204 CarbonylContact C-O 3.54Å; A1038-V1204 VanDerWaalsContact CA-O 3.27Å; A1038-V1204 WeakPolarHBondContact CA-O 3.47Å; L1039-V1204 PolarHBondContact N-O 2.99Å; L1174-V1204 HydrophobicContact CB-CB 4.47Å; L1174-V1204 HydrophobicContact CB-CG1 4.16Å; L1174-V1204 HydrophobicContact CB-CG2 4.32Å; L1174-V1204 HydrophobicContact CD1-CG1 4.42Å; L1174-V1204 HydrophobicContact CD1-CG2 3.91Å; L1174-V1204 HydrophobicContact CG-CG2 4.37Å; M1197-V1204 HydrophobicContact SD-CG2 3.72Å; V1204-A1206 HydrophobicContact CG1-CB 4.35Å |
| 1205 | V | 89.9 | Confident | 82.3 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 120.9 | 163.7 | 177 | 0 | 0 | 0 | 0 | 106.7 | L1039 K1047 L1051 L1174 E1176 | L1039-V1205 HydrophobicContact CB-CG2 4.01Å; L1039-V1205 HydrophobicContact CD1-CG2 4.01Å; K1047-V1205 HydrophobicContact CB-CG1 3.72Å; K1047-V1205 HydrophobicContact CB-CG2 3.99Å; K1047-V1205 HydrophobicContact CD-CG1 4.23Å; L1051-V1205 HydrophobicContact CD1-CB 4.06Å; L1051-V1205 HydrophobicContact CD1-CG2 3.43Å; L1051-V1205 VanDerWaalsContact CD1-CG2 3.43Å; L1051-V1205 HydrophobicContact CD2-CG2 4.06Å; L1051-V1205 HydrophobicContact CG-CG2 3.68Å; L1174-V1205 PolarHBondContact O-N 3.05Å; E1176-V1205 VanDerWaalsContact CA-O 3.25Å; E1176-V1205 WeakPolarHBondContact CA-O 3.49Å; E1176-V1205 HydrophobicContact CG-CG1 3.82Å; E1176-V1205 PolarHBondContact N-O 3.33Å |
| 1206 | A | 78.7 | Confident | 82.6 | Confident | 6 Ų | 6 | 42.2 Ų | 42.2 | 5% | 0.05 | 24% | 0.244 | C | C | . | . | trans | -128.2 | 137.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | V1204 T1211 I1212 | V1204-A1206 HydrophobicContact CG1-CB 4.35Å; A1206-T1211 WeakPolarHBondContact CB-OG1 3.41Å; A1206-I1212 HydrophobicContact CB-CD1 3.47Å; A1206-I1212 VanDerWaalsContact CB-CD1 3.47Å; A1206-I1212 HydrophobicContact CB-CG1 3.48Å; A1206-I1212 VanDerWaalsContact CB-CG1 3.48Å | ||
| 1207 | H | 75.9 | Confident | 82.9 | Confident | 98 Ų | 98 | 43.4 Ų | 43.4 | 45% | 0.454 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -94.3 | -17.5 | 170.5 | -169.1 | -62.8 | 0 | 0 | 0 | 111.4 | ||
| 1208 | R | 71.6 | Confident | 83.1 | Confident | 85 Ų | 85 | 42.6 Ų | 42.6 | 32% | 0.321 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -110.8 | 122.3 | 178.9 | -67.3 | -175.6 | 175.8 | -150.2 | 7.4 | 109.5 | E1186 S1210 T1211 | E1186-R1208 WeakPolarHBondContact OE1-CD 3.25Å; E1186-R1208 IonicContact OE1-CZ 3.16Å; E1186-R1208 IonicContact OE1-NE 3.29Å; E1186-R1208 IonicContact OE1-NH1 3.49Å; E1186-R1208 PolarHBondContact OE1-NH1 3.39Å; E1186-R1208 IonicContact OE2-CZ 3.02Å; E1186-R1208 IonicContact OE2-NH1 2.83Å; E1186-R1208 PolarHBondContact OE2-NH1 3.42Å; R1208-S1210 PolarHBondContact O-N 2.94Å; R1208-T1211 PolarHBondContact O-N 3.24Å; R1208-T1211 VanDerWaalsContact O-N 3.13Å; R1208-T1211 PolarHBondContact O-OG1 3.04Å |
| 1209 | L | 72.1 | Confident | 83.7 | Confident | 16 Ų | 16 | 40 Ų | 40 | 8% | 0.084 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -61.5 | -26 | -178.1 | -72.4 | 161.1 | 0 | 0 | 0 | 114 | T1211 I1212 V1213 F1242 H1246 E1249 | L1209-T1211 PolarHBondContact O-N 3.19Å; L1209-I1212 HydrophobicContact CD2-CD1 4.16Å; L1209-I1212 PolarHBondContact O-N 3.01Å; L1209-V1213 PolarHBondContact O-N 2.91Å; L1209-F1242 HydrophobicContact CD2-CD2 4.29Å; L1209-F1242 HydrophobicContact CD2-CE2 3.4Å; L1209-F1242 VanDerWaalsContact CD2-CE2 3.4Å; L1209-F1242 HydrophobicContact CD2-CZ 3.76Å; L1209-H1246 HydrophobicContact CD1-CB 3.85Å; L1209-E1249 WeakPolarHBondContact CB-OE2 3.48Å; L1209-E1249 HydrophobicContact CD1-CB 3.91Å; L1209-E1249 HydrophobicContact CD1-CG 4.17Å; L1209-E1249 VanDerWaalsContact CD1-OE2 3.25Å; L1209-E1249 WeakPolarHBondContact CD1-OE2 3.34Å; L1209-E1249 WeakPolarHBondContact CG-OE2 3.26Å; L1209-E1249 PolarHBondContact N-OE2 3.05Å |
| 1210 | S | 71.6 | Confident | 84.1 | Confident | 75 Ų | 75 | 34.7 Ų | 34.7 | 52% | 0.524 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -53.6 | -35.1 | 174.4 | 55.3 | 0 | 0 | 0 | 0 | 113 | R1208 I1212 | R1208-S1210 PolarHBondContact O-N 2.94Å; S1210-I1212 VanDerWaalsContact C-N 3.27Å; S1210-I1212 PolarHBondContact O-N 3.39Å |
| 1211 | T | 71.8 | Confident | 84.1 | Confident | 13 Ų | 13 | 31.1 Ų | 31.1 | 8% | 0.08 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -77.7 | -10.9 | 180 | 58.7 | 0 | 0 | 0 | 0 | 114.1 | T1178 A1206 R1208 L1209 | T1178-T1211 HydrophobicContact CG2-CG2 3.93Å; T1178-T1211 WeakPolarHBondContact OG1-CG2 3.37Å; A1206-T1211 WeakPolarHBondContact CB-OG1 3.41Å; R1208-T1211 PolarHBondContact O-N 3.24Å; R1208-T1211 VanDerWaalsContact O-N 3.13Å; R1208-T1211 PolarHBondContact O-OG1 3.04Å; L1209-T1211 PolarHBondContact O-N 3.19Å |
| 1212 | I | 78.7 | Confident | 83.8 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -11.9 | -173.7 | -61.3 | 154.8 | 0 | 0 | 0 | 111.7 | A1038 V1040 A1206 L1209 S1210 N1214 A1215 V1218 | A1038-I1212 HydrophobicContact CB-CB 4.28Å; A1038-I1212 HydrophobicContact CB-CG1 3.99Å; A1038-I1212 HydrophobicContact CB-CG2 3.47Å; A1038-I1212 VanDerWaalsContact CB-CG2 3.47Å; V1040-I1212 HydrophobicContact CG1-CD1 3.3Å; V1040-I1212 HydrophobicContact CG1-CG1 4.34Å; A1206-I1212 HydrophobicContact CB-CD1 3.47Å; A1206-I1212 VanDerWaalsContact CB-CD1 3.47Å; A1206-I1212 HydrophobicContact CB-CG1 3.48Å; A1206-I1212 VanDerWaalsContact CB-CG1 3.48Å; L1209-I1212 HydrophobicContact CD2-CD1 4.16Å; L1209-I1212 PolarHBondContact O-N 3.01Å; S1210-I1212 VanDerWaalsContact C-N 3.27Å; S1210-I1212 PolarHBondContact O-N 3.39Å; I1212-N1214 PolarHBondContact O-N 3.4Å; I1212-N1214 VanDerWaalsContact O-N 3.12Å; I1212-A1215 HydrophobicContact CG2-CB 4.26Å; I1212-A1215 VanDerWaalsContact O-CB 3.32Å; I1212-A1215 WeakPolarHBondContact O-CB 3.46Å; I1212-A1215 PolarHBondContact O-N 2.9Å; I1212-V1218 HydrophobicContact CG2-CB 4.5Å; I1212-V1218 HydrophobicContact CG2-CG1 4.35Å; I1212-V1218 HydrophobicContact CG2-CG2 3.41Å; I1212-V1218 VanDerWaalsContact CG2-CG2 3.41Å |
| 1213 | V | 74.9 | Confident | 83.3 | Confident | 99 Ų | 99 | 40 Ų | 40 | 60% | 0.6 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -35.1 | -176.2 | -178 | 0 | 0 | 0 | 0 | 112.1 | L1209 | L1209-V1213 PolarHBondContact O-N 2.91Š|
| 1214 | N | 79.3 | Confident | 82.9 | Confident | 116 Ų | 116 | 39.9 Ų | 39.9 | 62% | 0.62 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93 | 5.4 | -178.6 | -62.1 | -23.5 | 0 | 0 | 0 | 113.9 | I1212 | I1212-N1214 PolarHBondContact O-N 3.4Å; I1212-N1214 VanDerWaalsContact O-N 3.12Å |
| 1215 | A | 85.2 | Confident | 82.7 | Confident | 9 Ų | 9 | 46.3 Ų | 46.3 | 7% | 0.074 | 24% | 0.236 | C | C | . | . | trans | -75.9 | 136.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | T1036 A1038 I1212 L1217 P1232 | T1036-A1215 HydrophobicContact CG2-CB 4.16Å; A1038-A1215 HydrophobicContact CB-CB 3.91Å; I1212-A1215 HydrophobicContact CG2-CB 4.26Å; I1212-A1215 VanDerWaalsContact O-CB 3.32Å; I1212-A1215 WeakPolarHBondContact O-CB 3.46Å; I1212-A1215 PolarHBondContact O-N 2.9Å; A1215-L1217 PolarHBondContact O-N 3.17Å; A1215-P1232 WeakPolarHBondContact O-CD 3.05Å; A1215-P1232 WeakPolarHBondContact O-CG 3.26Å | ||
| 1216 | D | 90.1 | Very high | 82.8 | Confident | 86 Ų | 86 | 50.1 Ų | 50.1 | 46% | 0.46 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -62.1 | -33.9 | 176.7 | -59.7 | -57.2 | 0 | 0 | 0 | 111.8 | Q1035 T1036 | Q1035-D1216 HydrophobicContact CG-CB 3.74Å; T1036-D1216 PolarHBondContact N-OD2 3.37Å; T1036-D1216 PolarHBondContact O-N 3.2Å; T1036-D1216 VanDerWaalsContact O-N 3.1Å |
| 1217 | L | 92.3 | Very high | 83.3 | Confident | 25 Ų | 25 | 54 Ų | 54 | 13% | 0.131 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 138.4 | -178.1 | -166 | 78.1 | 0 | 0 | 0 | 111.5 | H1029 T1036 V1037 A1038 A1215 V1219 G1230 | H1029-L1217 WeakPolarHBondContact CE1-CD2 3.49Å; H1029-L1217 WeakPolarHBondContact NE2-CD2 3.47Å; T1036-L1217 PolarHBondContact O-N 3.48Å; V1037-L1217 CarbonylContact C-O 3.58Å; V1037-L1217 WeakPolarHBondContact CA-O 3.45Å; V1037-L1217 HydrophobicContact CG2-CB 4.24Å; V1037-L1217 HydrophobicContact CG2-CD2 4.41Å; A1038-L1217 PolarHBondContact N-O 3.28Å; A1215-L1217 PolarHBondContact O-N 3.17Å; L1217-V1219 HydrophobicContact CD2-CG2 4.36Å; L1217-G1230 VanDerWaalsContact CD1-C 3.46Å; L1217-G1230 VanDerWaalsContact CD1-CA 3.46Å |
| 1218 | V | 91.5 | Very high | 84 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 140.5 | 171.8 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | A1038 V1040 I1212 S1229 G1230 P1232 L1235 F1242 | A1038-V1218 HydrophobicContact CB-CG2 4.3Å; A1038-V1218 CarbonylContact O-C 3.5Å; A1038-V1218 WeakPolarHBondContact O-CA 3.2Å; V1040-V1218 HydrophobicContact CB-CG1 4.46Å; V1040-V1218 HydrophobicContact CG1-CG1 4.12Å; V1040-V1218 HydrophobicContact CG2-CG1 3.48Å; V1040-V1218 VanDerWaalsContact CG2-CG1 3.48Å; I1212-V1218 HydrophobicContact CG2-CB 4.5Å; I1212-V1218 HydrophobicContact CG2-CG1 4.35Å; I1212-V1218 HydrophobicContact CG2-CG2 3.41Å; I1212-V1218 VanDerWaalsContact CG2-CG2 3.41Å; V1218-S1229 CarbonylContact O-C 3.36Å; V1218-S1229 WeakPolarHBondContact O-CA 3.22Å; V1218-G1230 PolarHBondContact N-O 2.99Å; V1218-G1230 PolarHBondContact O-N 3.3Å; V1218-P1232 HydrophobicContact CG2-CB 4.17Å; V1218-P1232 HydrophobicContact CG2-CG 3.67Å; V1218-L1235 HydrophobicContact CB-CD1 3.71Å; V1218-L1235 HydrophobicContact CG1-CD1 4.04Å; V1218-F1242 HydrophobicContact CG1-CD2 3.86Å; V1218-F1242 HydrophobicContact CG1-CE2 3.69Å; V1218-F1242 HydrophobicContact CG1-CZ 4.33Å; V1218-F1242 HydrophobicContact CG2-CE2 4.5Å; V1218-F1242 HydrophobicContact CG2-CZ 4.37Å |
| 1219 | V | 91.9 | Very high | 84.9 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 115.6 | 177.5 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | F1027 H1029 V1037 A1038 L1039 V1040 L1217 L1221 K1226 | F1027-V1219 HydrophobicContact CE2-CG1 4.16Å; F1027-V1219 HydrophobicContact CZ-CG1 4.16Å; H1029-V1219 VanDerWaalsContact NE2-CG2 3.31Å; H1029-V1219 WeakPolarHBondContact NE2-CG2 3.37Å; V1037-V1219 HydrophobicContact CG1-CG2 3.74Å; A1038-V1219 PolarHBondContact O-N 3.18Å; L1039-V1219 HydrophobicContact CD2-CB 4.07Å; L1039-V1219 HydrophobicContact CD2-CG1 4.35Å; V1040-V1219 PolarHBondContact N-O 3.32Å; L1217-V1219 HydrophobicContact CD2-CG2 4.36Å; V1219-L1221 HydrophobicContact CG1-CD1 4.13Å; V1219-K1226 HydrophobicContact CG1-CD 3.85Å; V1219-K1226 HydrophobicContact CG1-CG 3.77Å |
| 1220 | V | 90.7 | Very high | 85.8 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 123.6 | 180 | -171.3 | 0 | 0 | 0 | 0 | 110 | V1040 I1227 E1228 L1235 A1241 F1242 L1245 | V1040-V1220 HydrophobicContact CG2-CB 4.12Å; V1040-V1220 HydrophobicContact CG2-CG1 4.34Å; V1040-V1220 HydrophobicContact CG2-CG2 3.64Å; V1040-V1220 CarbonylContact O-C 3.58Å; V1040-V1220 WeakPolarHBondContact O-CA 3.39Å; V1220-I1227 PolarHBondContact O-N 3.28Å; V1220-E1228 HydrophobicContact CB-CG 3.68Å; V1220-E1228 HydrophobicContact CG2-CG 3.44Å; V1220-E1228 VanDerWaalsContact CG2-CG 3.44Å; V1220-E1228 PolarHBondContact N-O 2.91Å; V1220-L1235 HydrophobicContact CG2-CD1 4.44Å; V1220-A1241 HydrophobicContact CG1-CB 3.92Å; V1220-F1242 HydrophobicContact CG2-CB 3.73Å; V1220-F1242 HydrophobicContact CG2-CD2 4.24Å; V1220-F1242 HydrophobicContact CG2-CG 4.41Å; V1220-L1245 HydrophobicContact CG1-CD1 3.97Å |
| 1221 | L | 89.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 133.6 | 176.6 | -77.1 | 90.6 | 0 | 0 | 0 | 111.3 | L1024 F1027 L1039 V1040 G1041 P1042 C1045 L1050 V1219 R1225 | L1024-L1221 HydrophobicContact CD2-CD2 4.4Å; F1027-L1221 HydrophobicContact CD2-CD2 3.89Å; F1027-L1221 HydrophobicContact CD2-CG 4.2Å; F1027-L1221 HydrophobicContact CE2-CD1 3.95Å; F1027-L1221 HydrophobicContact CE2-CD2 3.73Å; F1027-L1221 HydrophobicContact CE2-CG 3.73Å; F1027-L1221 HydrophobicContact CZ-CD1 4.44Å; F1027-L1221 HydrophobicContact CZ-CD2 4.49Å; L1039-L1221 HydrophobicContact CB-CD1 4.26Å; L1039-L1221 HydrophobicContact CD2-CD1 3.89Å; V1040-L1221 PolarHBondContact O-N 3.05Å; G1041-L1221 WeakPolarHBondContact CA-O 3.49Å; P1042-L1221 WeakPolarHBondContact CD-O 3.37Å; C1045-L1221 HydrophobicContact CB-CB 4.43Å; C1045-L1221 PolarHBondContact SG-O 3.36Å; C1045-L1221 VanDerWaalsContact SG-O 3.38Å; L1050-L1221 HydrophobicContact CD1-CD1 4.37Å; L1050-L1221 HydrophobicContact CD1-CD2 3.63Å; V1219-L1221 HydrophobicContact CG1-CD1 4.13Å; L1221-R1225 VanDerWaalsContact CA-O 3.31Å; L1221-R1225 WeakPolarHBondContact CA-O 3.47Å |
| 1222 | Q | 86.4 | Confident | 87.3 | Confident | 84 Ų | 84 | 48.3 Ų | 48.3 | 39% | 0.393 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 136.2 | 169.1 | -168.9 | 172.6 | -12.4 | 0 | 0 | 109 | G1224 R1225 I1227 | Q1222-G1224 PolarHBondContact O-N 3.31Å; Q1222-R1225 PolarHBondContact N-O 3.21Å; Q1222-R1225 PolarHBondContact O-N 3.09Å; Q1222-I1227 HydrophobicContact CB-CD1 3.3Å; Q1222-I1227 HydrophobicContact CB-CG1 3.99Å; Q1222-I1227 HydrophobicContact CG-CD1 4.02Å |
| 1223 | D | 83.2 | Confident | 87.7 | Confident | 106 Ų | 106 | 51.9 Ų | 51.9 | 57% | 0.567 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 30.5 | -179.4 | -62.9 | -45 | 0 | 0 | 0 | 115.6 | K1025 | K1025-D1223 WeakPolarHBondContact CD-O 3.39Å; K1025-D1223 PolarHBondContact NZ-O 3.19Å |
| 1224 | G | 84.4 | Confident | 88.3 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | 11.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | V1023 K1025 C1045 Q1222 | V1023-G1224 WeakPolarHBondContact O-CA 3.39Å; K1025-G1224 PolarHBondContact N-O 2.93Å; C1045-G1224 WeakPolarHBondContact O-CA 3.36Å; C1045-G1224 PolarHBondContact O-N 3.49Å; Q1222-G1224 PolarHBondContact O-N 3.31Å |
| 1225 | R | 88.2 | Confident | 88.6 | Confident | 150 Ų | 150 | 43.7 Ų | 43.7 | 57% | 0.566 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 149.8 | 179.2 | -73.1 | 173.3 | -177.6 | -179.6 | 3.9 | 110.8 | K1025 L1221 Q1222 | K1025-R1225 HydrophobicContact CB-CG 4.21Å; K1025-R1225 WeakPolarHBondContact O-CG 3.34Å; K1025-R1225 PolarHBondContact O-NE 3.14Å; L1221-R1225 VanDerWaalsContact CA-O 3.31Å; L1221-R1225 WeakPolarHBondContact CA-O 3.47Å; Q1222-R1225 PolarHBondContact N-O 3.21Å; Q1222-R1225 PolarHBondContact O-N 3.09Å |
| 1226 | K | 90.6 | Very high | 88.6 | Confident | 81 Ų | 81 | 45.9 Ų | 45.9 | 35% | 0.352 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 125.5 | 167.2 | -179.3 | 179.4 | 74.7 | -174.4 | 0 | 108.8 | F1027 S1028 H1029 V1219 | F1027-K1226 HydrophobicContact CD2-CB 4.06Å; F1027-K1226 HydrophobicContact CE2-CB 3.86Å; S1028-K1226 WeakPolarHBondContact O-CE 3.46Å; S1028-K1226 PolarHBondContact O-NZ 2.87Å; H1029-K1226 HydrophobicContact CB-CD 4.45Å; V1219-K1226 HydrophobicContact CG1-CD 3.85Å; V1219-K1226 HydrophobicContact CG1-CG 3.77Å |
| 1227 | I | 89.9 | Confident | 88.4 | Confident | 88 Ų | 88 | 45.7 Ų | 45.7 | 45% | 0.451 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | -53.8 | 175.2 | -69 | -169.8 | 0 | 0 | 0 | 110.5 | V1220 Q1222 A1241 | V1220-I1227 PolarHBondContact O-N 3.28Å; Q1222-I1227 HydrophobicContact CB-CD1 3.3Å; Q1222-I1227 HydrophobicContact CB-CG1 3.99Å; Q1222-I1227 HydrophobicContact CG-CD1 4.02Å; I1227-A1241 HydrophobicContact CG2-CB 4.19Å |
| 1228 | E | 89.7 | Confident | 88.1 | Confident | 29 Ų | 29 | 51.7 Ų | 51.7 | 14% | 0.136 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 153.5 | -177.1 | 58.1 | -176.9 | -139.7 | 0 | 0 | 110.3 | V1220 L1235 G1240 A1241 F1242 | V1220-E1228 HydrophobicContact CB-CG 3.68Å; V1220-E1228 HydrophobicContact CG2-CG 3.44Å; V1220-E1228 VanDerWaalsContact CG2-CG 3.44Å; V1220-E1228 PolarHBondContact N-O 2.91Å; E1228-L1235 HydrophobicContact CB-CD2 4.15Å; E1228-L1235 HydrophobicContact CG-CD2 4.19Å; E1228-G1240 WeakPolarHBondContact OE2-CA 3.32Å; E1228-A1241 HydrophobicContact CG-CB 4.46Å; E1228-A1241 PolarHBondContact OE1-N 3.37Å; E1228-A1241 PolarHBondContact OE2-N 2.88Å; E1228-F1242 WeakPolarHBondContact OE1-CA 3.45Å; E1228-F1242 WeakPolarHBondContact OE1-CB 3.34Å; E1228-F1242 PolarHBondContact OE1-N 2.57Å |
| 1229 | S | 91.2 | Very high | 87.7 | Confident | 44 Ų | 44 | 58.7 Ų | 58.7 | 31% | 0.308 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 141.3 | 174.6 | 57.3 | 0 | 0 | 0 | 0 | 110.2 | V1218 | V1218-S1229 CarbonylContact O-C 3.36Å; V1218-S1229 WeakPolarHBondContact O-CA 3.22Å |
| 1230 | G | 90.1 | Very high | 87.4 | Confident | 8 Ų | 8 | 59.9 Ų | 59.9 | 8% | 0.082 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.4 | 170.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1217 V1218 | L1217-G1230 VanDerWaalsContact CD1-C 3.46Å; L1217-G1230 VanDerWaalsContact CD1-CA 3.46Å; V1218-G1230 PolarHBondContact N-O 2.99Å; V1218-G1230 PolarHBondContact O-N 3.3Å |
| 1231 | P | 90.1 | Very high | 87 | Confident | 69 Ų | 69 | 61 Ų | 61 | 45% | 0.448 | 34% | 0.339 | S | S | . | . | trans | -57 | 145.2 | 170.2 | -23.5 | 33.6 | 0 | 0 | 0 | 110.7 | A1233 A1234 L1235 | P1231-A1233 VanDerWaalsContact C-N 3.31Å; P1231-A1233 PolarHBondContact O-N 2.99Å; P1231-A1234 HydrophobicContact CB-CB 4.42Å; P1231-A1234 WeakPolarHBondContact O-CB 3.22Å; P1231-A1234 PolarHBondContact O-N 2.97Å; P1231-L1235 PolarHBondContact O-N 3.43Å | ||
| 1232 | P | 86 | Confident | 86.7 | Confident | 17 Ų | 17 | 61.2 Ų | 61.2 | 11% | 0.11 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -50.2 | -47 | -175.6 | -22.7 | 25.2 | 0 | 0 | 0 | 113.5 | A1215 V1218 A1234 L1235 L1236 F1242 | A1215-P1232 WeakPolarHBondContact O-CD 3.05Å; A1215-P1232 WeakPolarHBondContact O-CG 3.26Å; V1218-P1232 HydrophobicContact CG2-CB 4.17Å; V1218-P1232 HydrophobicContact CG2-CG 3.67Å; P1232-A1234 VanDerWaalsContact C-N 3.32Å; P1232-A1234 PolarHBondContact O-N 3.27Å; P1232-L1235 PolarHBondContact O-N 2.97Å; P1232-L1236 WeakPolarHBondContact O-CG 3.41Å; P1232-L1236 PolarHBondContact O-N 3.39Å; P1232-F1242 HydrophobicContact CB-CE1 4.45Å |
| 1233 | A | 86.1 | Confident | 86.6 | Confident | 77 Ų | 77 | 60.5 Ų | 60.5 | 64% | 0.636 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -62 | -36.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | P1231 A1237 | P1231-A1233 VanDerWaalsContact C-N 3.31Å; P1231-A1233 PolarHBondContact O-N 2.99Å; A1233-A1237 WeakPolarHBondContact O-CB 3.4Å; A1233-A1237 PolarHBondContact O-N 3.03Å; A1233-A1237 VanDerWaalsContact O-N 3.1Å |
| 1234 | A | 87.7 | Confident | 86.5 | Confident | 43 Ų | 43 | 57.7 Ų | 57.7 | 36% | 0.355 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -73.1 | -35.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | P1231 P1232 A1237 K1238 | P1231-A1234 HydrophobicContact CB-CB 4.42Å; P1231-A1234 WeakPolarHBondContact O-CB 3.22Å; P1231-A1234 PolarHBondContact O-N 2.97Å; P1232-A1234 VanDerWaalsContact C-N 3.32Å; P1232-A1234 PolarHBondContact O-N 3.27Å; A1234-A1237 PolarHBondContact O-N 3.25Å; A1234-K1238 WeakPolarHBondContact O-CG 3.29Å; A1234-K1238 PolarHBondContact O-N 2.95Å; A1234-K1238 VanDerWaalsContact O-N 3.1Å |
| 1235 | L | 86.3 | Confident | 86.2 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -70.5 | -37.7 | 175.5 | -68.5 | -175.3 | 0 | 0 | 0 | 112.2 | V1218 V1220 E1228 P1231 P1232 A1237 K1238 F1242 | V1218-L1235 HydrophobicContact CB-CD1 3.71Å; V1218-L1235 HydrophobicContact CG1-CD1 4.04Å; V1220-L1235 HydrophobicContact CG2-CD1 4.44Å; E1228-L1235 HydrophobicContact CB-CD2 4.15Å; E1228-L1235 HydrophobicContact CG-CD2 4.19Å; P1231-L1235 PolarHBondContact O-N 3.43Å; P1232-L1235 PolarHBondContact O-N 2.97Å; L1235-A1237 VanDerWaalsContact C-N 3.34Å; L1235-K1238 PolarHBondContact O-N 3.36Å; L1235-F1242 HydrophobicContact CB-CB 3.96Å; L1235-F1242 HydrophobicContact CB-CD1 3.51Å; L1235-F1242 HydrophobicContact CB-CE1 4.32Å; L1235-F1242 HydrophobicContact CB-CG 4Å; L1235-F1242 HydrophobicContact CD1-CB 4.1Å; L1235-F1242 HydrophobicContact CD1-CD1 4.25Å; L1235-F1242 HydrophobicContact CD1-CG 4.09Å |
| 1236 | L | 85.3 | Confident | 85.6 | Confident | 54 Ų | 54 | 55.2 Ų | 55.2 | 28% | 0.283 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 172.2 | -71.2 | 170 | 0 | 0 | 0 | 111.4 | P1232 K1238 K1239 F1242 Y1243 H1246 | P1232-L1236 WeakPolarHBondContact O-CG 3.41Å; P1232-L1236 PolarHBondContact O-N 3.39Å; L1236-K1238 VanDerWaalsContact C-N 3.31Å; L1236-K1238 PolarHBondContact O-N 3.4Å; L1236-K1239 PolarHBondContact O-N 3.42Å; L1236-F1242 HydrophobicContact CD1-CE1 4.47Å; L1236-F1242 HydrophobicContact CD2-CD1 4.05Å; L1236-F1242 HydrophobicContact CD2-CE1 3.98Å; L1236-F1242 HydrophobicContact CG-CD1 4.07Å; L1236-F1242 HydrophobicContact CG-CE1 3.84Å; L1236-Y1243 HydrophobicContact CD2-CD2 4.42Å; L1236-Y1243 WeakPolarHBondContact O-CD2 3.44Å; L1236-H1246 HydrophobicContact CD2-CB 3.86Å |
| 1237 | A | 86.4 | Confident | 84.7 | Confident | 82 Ų | 82 | 56.2 Ų | 56.2 | 68% | 0.678 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -64.8 | -32.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A1233 A1234 L1235 K1239 | A1233-A1237 WeakPolarHBondContact O-CB 3.4Å; A1233-A1237 PolarHBondContact O-N 3.03Å; A1233-A1237 VanDerWaalsContact O-N 3.1Å; A1234-A1237 PolarHBondContact O-N 3.25Å; L1235-A1237 VanDerWaalsContact C-N 3.34Å; A1237-K1239 PolarHBondContact O-N 3.35Å |
| 1238 | K | 85.2 | Confident | 83.7 | Confident | 151 Ų | 151 | 58.5 Ų | 58.5 | 66% | 0.657 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -70.4 | -15.1 | 177.7 | -81.4 | -177.5 | 178.2 | -177.5 | 0 | 114.3 | A1234 L1235 L1236 G1240 | A1234-K1238 WeakPolarHBondContact O-CG 3.29Å; A1234-K1238 PolarHBondContact O-N 2.95Å; A1234-K1238 VanDerWaalsContact O-N 3.1Å; L1235-K1238 PolarHBondContact O-N 3.36Å; L1236-K1238 VanDerWaalsContact C-N 3.31Å; L1236-K1238 PolarHBondContact O-N 3.4Å; K1238-G1240 PolarHBondContact O-N 3.14Å |
| 1239 | K | 83.1 | Confident | 82.2 | Confident | 147 Ų | 147 | 61.5 Ų | 61.5 | 64% | 0.639 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 36.9 | -175.5 | -62.2 | -171.9 | 176.6 | -177 | 0 | 114 | L1236 A1237 Y1243 | L1236-K1239 PolarHBondContact O-N 3.42Å; A1237-K1239 PolarHBondContact O-N 3.35Å; K1239-Y1243 HydrophobicContact CB-CD1 4.09Å; K1239-Y1243 HydrophobicContact CB-CE1 4.37Å; K1239-Y1243 HydrophobicContact CB-CG 4.15Å; K1239-Y1243 HydrophobicContact CD-CE1 4.48Å; K1239-Y1243 HydrophobicContact CG-CD1 4.3Å; K1239-Y1243 HydrophobicContact CG-CD2 4.09Å; K1239-Y1243 HydrophobicContact CG-CE1 4.23Å; K1239-Y1243 HydrophobicContact CG-CE2 4Å; K1239-Y1243 HydrophobicContact CG-CG 4.22Å |
| 1240 | G | 84.5 | Confident | 80.1 | Confident | 26 Ų | 26 | 66.6 Ų | 66.6 | 27% | 0.268 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -90.1 | -148.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | E1228 K1238 F1242 Y1243 A1244 | E1228-G1240 WeakPolarHBondContact OE2-CA 3.32Å; K1238-G1240 PolarHBondContact O-N 3.14Å; G1240-F1242 PolarHBondContact O-N 3.17Å; G1240-Y1243 WeakPolarHBondContact O-CB 3.42Å; G1240-Y1243 PolarHBondContact O-N 3.12Å; G1240-A1244 PolarHBondContact O-N 3.49Å |
| 1241 | A | 83 | Confident | 79.5 | Confident | 23 Ų | 23 | 69.6 Ų | 69.6 | 19% | 0.19 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.5 | -34.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1220 I1227 E1228 A1244 L1245 | V1220-A1241 HydrophobicContact CG1-CB 3.92Å; I1227-A1241 HydrophobicContact CG2-CB 4.19Å; E1228-A1241 HydrophobicContact CG-CB 4.46Å; E1228-A1241 PolarHBondContact OE1-N 3.37Å; E1228-A1241 PolarHBondContact OE2-N 2.88Å; A1241-A1244 PolarHBondContact O-N 3.43Å; A1241-L1245 WeakPolarHBondContact O-CG 3.15Å; A1241-L1245 PolarHBondContact O-N 2.94Å |
| 1242 | F | 83.7 | Confident | 79 | Confident | 6 Ų | 6 | 69.6 Ų | 69.6 | 3% | 0.026 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 173.5 | -174.9 | -116.4 | 0 | 0 | 0 | 111.5 | V1040 L1209 V1218 V1220 E1228 P1232 L1235 L1236 G1240 A1244 L1245 H1246 | V1040-F1242 HydrophobicContact CG2-CD2 3.95Å; V1040-F1242 HydrophobicContact CG2-CE2 4.27Å; L1209-F1242 HydrophobicContact CD2-CD2 4.29Å; L1209-F1242 HydrophobicContact CD2-CE2 3.4Å; L1209-F1242 VanDerWaalsContact CD2-CE2 3.4Å; L1209-F1242 HydrophobicContact CD2-CZ 3.76Å; V1218-F1242 HydrophobicContact CG1-CD2 3.86Å; V1218-F1242 HydrophobicContact CG1-CE2 3.69Å; V1218-F1242 HydrophobicContact CG1-CZ 4.33Å; V1218-F1242 HydrophobicContact CG2-CE2 4.5Å; V1218-F1242 HydrophobicContact CG2-CZ 4.37Å; V1220-F1242 HydrophobicContact CG2-CB 3.73Å; V1220-F1242 HydrophobicContact CG2-CD2 4.24Å; V1220-F1242 HydrophobicContact CG2-CG 4.41Å; E1228-F1242 WeakPolarHBondContact OE1-CA 3.45Å; E1228-F1242 WeakPolarHBondContact OE1-CB 3.34Å; E1228-F1242 PolarHBondContact OE1-N 2.57Å; P1232-F1242 HydrophobicContact CB-CE1 4.45Å; L1235-F1242 HydrophobicContact CB-CB 3.96Å; L1235-F1242 HydrophobicContact CB-CD1 3.51Å; L1235-F1242 HydrophobicContact CB-CE1 4.32Å; L1235-F1242 HydrophobicContact CB-CG 4Å; L1235-F1242 HydrophobicContact CD1-CB 4.1Å; L1235-F1242 HydrophobicContact CD1-CD1 4.25Å; L1235-F1242 HydrophobicContact CD1-CG 4.09Å; L1236-F1242 HydrophobicContact CD1-CE1 4.47Å; L1236-F1242 HydrophobicContact CD2-CD1 4.05Å; L1236-F1242 HydrophobicContact CD2-CE1 3.98Å; L1236-F1242 HydrophobicContact CG-CD1 4.07Å; L1236-F1242 HydrophobicContact CG-CE1 3.84Å; G1240-F1242 PolarHBondContact O-N 3.17Å; F1242-A1244 VanDerWaalsContact C-N 3.33Å; F1242-L1245 PolarHBondContact O-N 3.21Å; F1242-H1246 VanDerWaalsContact O-CB 3.32Å; F1242-H1246 WeakPolarHBondContact O-CB 3.43Å; F1242-H1246 PolarHBondContact O-N 3.49Å |
| 1243 | Y | 84 | Confident | 78.6 | Confident | 68 Ų | 68 | 72.5 Ų | 72.5 | 27% | 0.267 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 175.7 | 178.5 | -91.7 | 0 | 0 | 0 | 111.1 | L1236 K1239 G1240 H1246 H1247 | L1236-Y1243 HydrophobicContact CD2-CD2 4.42Å; L1236-Y1243 WeakPolarHBondContact O-CD2 3.44Å; K1239-Y1243 HydrophobicContact CB-CD1 4.09Å; K1239-Y1243 HydrophobicContact CB-CE1 4.37Å; K1239-Y1243 HydrophobicContact CB-CG 4.15Å; K1239-Y1243 HydrophobicContact CD-CE1 4.48Å; K1239-Y1243 HydrophobicContact CG-CD1 4.3Å; K1239-Y1243 HydrophobicContact CG-CD2 4.09Å; K1239-Y1243 HydrophobicContact CG-CE1 4.23Å; K1239-Y1243 HydrophobicContact CG-CE2 4Å; K1239-Y1243 HydrophobicContact CG-CG 4.22Å; G1240-Y1243 WeakPolarHBondContact O-CB 3.42Å; G1240-Y1243 PolarHBondContact O-N 3.12Å; Y1243-H1246 CarbonylContact O-C 3.49Å; Y1243-H1246 PolarHBondContact O-N 3.32Å; Y1243-H1247 AromaticContact CD1-CD2 3.6Å; Y1243-H1247 AromaticContact CD2-CD2 3.89Å; Y1243-H1247 AromaticContact CE1-CD2 3.18Å; Y1243-H1247 WeakPolarHBondContact CE1-CD2 3.43Å; Y1243-H1247 AromaticContact CE1-NE2 3.47Å; Y1243-H1247 WeakPolarHBondContact CE1-NE2 3.49Å; Y1243-H1247 AromaticContact CE2-CD2 3.53Å; Y1243-H1247 AromaticContact CE2-NE2 3.29Å; Y1243-H1247 VanDerWaalsContact CE2-NE2 3.29Å; Y1243-H1247 WeakPolarHBondContact CE2-NE2 3.29Å; Y1243-H1247 AromaticContact CG-CD2 3.94Å; Y1243-H1247 AromaticContact CZ-CD2 3.16Å; Y1243-H1247 AromaticContact CZ-NE2 2.92Å; Y1243-H1247 PolarHBondContact O-CD2 3.22Å; Y1243-H1247 PolarHBondContact O-N 2.92Å; Y1243-H1247 PolarHBondContact OH-NE2 3.41Å |
| 1244 | A | 81.8 | Confident | 78.2 | Confident | 48 Ų | 48 | 72.2 Ų | 72.2 | 40% | 0.397 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G1240 A1241 F1242 H1246 H1247 I1248 | G1240-A1244 PolarHBondContact O-N 3.49Å; A1241-A1244 PolarHBondContact O-N 3.43Å; F1242-A1244 VanDerWaalsContact C-N 3.33Å; A1244-H1246 VanDerWaalsContact C-N 3.28Å; A1244-H1246 PolarHBondContact O-N 2.98Å; A1244-H1247 PolarHBondContact O-N 3.49Å; A1244-I1248 WeakPolarHBondContact O-CD1 3.4Å; A1244-I1248 WeakPolarHBondContact O-CG1 3.24Å; A1244-I1248 PolarHBondContact O-N 3.13Å; A1244-I1248 VanDerWaalsContact O-N 3.12Å |
| 1245 | L | 77.8 | Confident | 77.6 | Confident | 41 Ų | 41 | 74.1 Ų | 74.1 | 22% | 0.215 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.8 | -39.6 | 173 | -70.9 | 166.8 | 0 | 0 | 0 | 111.5 | V1220 A1241 F1242 I1248 E1249 | V1220-L1245 HydrophobicContact CG1-CD1 3.97Å; A1241-L1245 WeakPolarHBondContact O-CG 3.15Å; A1241-L1245 PolarHBondContact O-N 2.94Å; F1242-L1245 PolarHBondContact O-N 3.21Å; L1245-I1248 PolarHBondContact O-N 2.74Å; L1245-E1249 PolarHBondContact O-N 3.07Å |
| 1246 | H | 74.5 | Confident | 77 | Confident | 57 Ų | 57 | 78.9 Ų | 78.9 | 26% | 0.264 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -68.2 | -30.9 | 178 | -170.3 | -77.9 | 0 | 0 | 0 | 114.5 | L1209 L1236 F1242 Y1243 A1244 N1250 | L1209-H1246 HydrophobicContact CD1-CB 3.85Å; L1236-H1246 HydrophobicContact CD2-CB 3.86Å; F1242-H1246 VanDerWaalsContact O-CB 3.32Å; F1242-H1246 WeakPolarHBondContact O-CB 3.43Å; F1242-H1246 PolarHBondContact O-N 3.49Å; Y1243-H1246 CarbonylContact O-C 3.49Å; Y1243-H1246 PolarHBondContact O-N 3.32Å; A1244-H1246 VanDerWaalsContact C-N 3.28Å; A1244-H1246 PolarHBondContact O-N 2.98Å; H1246-N1250 PolarHBondContact CE1-ND2 3.17Å; H1246-N1250 PolarHBondContact ND1-ND2 3.3Å; H1246-N1250 VanDerWaalsContact ND1-ND2 3.17Å; H1246-N1250 PolarHBondContact O-N 3Å; H1246-N1250 PolarHBondContact O-ND2 3.18Å |
| 1247 | H | 73.1 | Confident | 76.4 | Confident | 101 Ų | 101 | 80.7 Ų | 80.7 | 47% | 0.468 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -83.8 | -9.1 | 172.7 | -90.5 | -81.9 | 0 | 0 | 0 | 114.3 | Y1243 A1244 | Y1243-H1247 AromaticContact CD1-CD2 3.6Å; Y1243-H1247 AromaticContact CD2-CD2 3.89Å; Y1243-H1247 AromaticContact CE1-CD2 3.18Å; Y1243-H1247 WeakPolarHBondContact CE1-CD2 3.43Å; Y1243-H1247 AromaticContact CE1-NE2 3.47Å; Y1243-H1247 WeakPolarHBondContact CE1-NE2 3.49Å; Y1243-H1247 AromaticContact CE2-CD2 3.53Å; Y1243-H1247 AromaticContact CE2-NE2 3.29Å; Y1243-H1247 VanDerWaalsContact CE2-NE2 3.29Å; Y1243-H1247 WeakPolarHBondContact CE2-NE2 3.29Å; Y1243-H1247 AromaticContact CG-CD2 3.94Å; Y1243-H1247 AromaticContact CZ-CD2 3.16Å; Y1243-H1247 AromaticContact CZ-NE2 2.92Å; Y1243-H1247 PolarHBondContact O-CD2 3.22Å; Y1243-H1247 PolarHBondContact O-N 2.92Å; Y1243-H1247 PolarHBondContact OH-NE2 3.41Å; A1244-H1247 PolarHBondContact O-N 3.49Å |
| 1248 | I | 67.8 | Low | 75.6 | Confident | 137 Ų | 137 | 80.6 Ų | 80.6 | 70% | 0.703 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -90.5 | -31.8 | 173.6 | -68.9 | 162.8 | 0 | 0 | 0 | 110.4 | A1244 L1245 | A1244-I1248 WeakPolarHBondContact O-CD1 3.4Å; A1244-I1248 WeakPolarHBondContact O-CG1 3.24Å; A1244-I1248 PolarHBondContact O-N 3.13Å; A1244-I1248 VanDerWaalsContact O-N 3.12Å; L1245-I1248 PolarHBondContact O-N 2.74Å |
| 1249 | E | 59.7 | Low | 74.8 | Confident | 92 Ų | 92 | 74.8 Ų | 74.8 | 43% | 0.43 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -81.9 | -27.2 | 177.4 | -83.7 | -178 | -150.2 | 0 | 0 | 113.9 | L1209 L1245 | L1209-E1249 WeakPolarHBondContact CB-OE2 3.48Å; L1209-E1249 HydrophobicContact CD1-CB 3.91Å; L1209-E1249 HydrophobicContact CD1-CG 4.17Å; L1209-E1249 VanDerWaalsContact CD1-OE2 3.25Å; L1209-E1249 WeakPolarHBondContact CD1-OE2 3.34Å; L1209-E1249 WeakPolarHBondContact CG-OE2 3.26Å; L1209-E1249 PolarHBondContact N-OE2 3.05Å; L1245-E1249 PolarHBondContact O-N 3.07Å |
| 1250 | N | 45 | Very low | 74.1 | Confident | 151 Ų | 151 | 68.2 Ų | 68.2 | 81% | 0.807 | 37% | 0.367 | S | S | * | . | trans | -102.4 | 0 | 171.8 | -61.4 | -63.5 | 0 | 0 | 0 | 110 | H1246 | H1246-N1250 PolarHBondContact CE1-ND2 3.17Å; H1246-N1250 PolarHBondContact ND1-ND2 3.3Å; H1246-N1250 VanDerWaalsContact ND1-ND2 3.17Å; H1246-N1250 PolarHBondContact O-N 3Å; H1246-N1250 PolarHBondContact O-ND2 3.18Å |
Retrieved 1,250 of 1,250 residues in 1090 ms
(Link to these results)