| 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 | 53.1 | Low | 58.2 | Low | 248 Ų | 248 | 205.2 Ų | 205.2 | 100% | 1.222 | 91% | 0.913 | S | S | * | * | 0 | 127.2 | 0 | -75.2 | -172.2 | 167.7 | 0 | 0 | 109.1 | |||||
| 2 | A | 57.2 | Low | 58.4 | Low | 105 Ų | 105 | 204.8 Ų | 204.8 | 87% | 0.868 | 91% | 0.909 | S | S | * | * | trans | -72.3 | 127.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | K4 | A2-K4 PolarHBondContact O-N 2.93Å; A2-K4 VanDerWaalsContact O-N 3.17Å | ||
| 3 | K | 56.3 | Low | 58.2 | Low | 209 Ų | 209 | 203.2 Ų | 203.2 | 91% | 0.909 | 89% | 0.893 | S | S | * | * | trans | -72.7 | 105 | 179.9 | -156.1 | 172.3 | -174.5 | 177.4 | 0 | 108.9 | M5 | K3-M5 PolarHBondContact O-N 3.31Š| ||
| 4 | K | 53.9 | Low | 58 | Low | 200 Ų | 200 | 193.9 Ų | 193.9 | 87% | 0.87 | 86% | 0.861 | S | S | * | * | trans | -63.9 | 100.4 | -178.4 | -162.9 | 175 | -173.9 | 177.8 | 0 | 109.9 | A2 Q6 | A2-K4 PolarHBondContact O-N 2.93Å; A2-K4 VanDerWaalsContact O-N 3.17Å; K4-Q6 PolarHBondContact O-N 3.04Å | ||
| 5 | M | 56.8 | Low | 57.7 | Low | 180 Ų | 180 | 191.9 Ų | 191.9 | 89% | 0.887 | 85% | 0.845 | S | S | * | * | trans | -68 | 98.8 | 179 | -168.8 | 167.3 | 151.8 | 0 | 0 | 109.4 | K3 R7 | K3-M5 PolarHBondContact O-N 3.31Å; M5-R7 PolarHBondContact O-N 3.28Å | ||
| 6 | Q | 62.6 | Low | 57.4 | Low | 179 Ų | 179 | 183.4 Ų | 183.4 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | trans | -63.3 | 108.9 | 177.6 | -72.4 | 179.1 | -19.7 | 0 | 0 | 109.1 | K4 R8 | K4-Q6 PolarHBondContact O-N 3.04Å; Q6-R8 PolarHBondContact O-N 3.32Å | ||
| 7 | R | 58.1 | Low | 57.2 | Low | 240 Ų | 240 | 180.1 Ų | 180.1 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | -56 | 112.2 | 166.8 | -71.9 | -178.9 | 172.3 | 174.9 | -2.8 | 107 | M5 R9 | M5-R7 PolarHBondContact O-N 3.28Å; R7-R9 PolarHBondContact O-N 2.9Å | ||
| 8 | R | 58.1 | Low | 57.2 | Low | 240 Ų | 240 | 181.3 Ų | 181.3 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | trans | -51 | 110.3 | 171.9 | -71.8 | -176.5 | 173.7 | -178.5 | -2 | 106.5 | Q6 R10 | Q6-R8 PolarHBondContact O-N 3.32Å; R8-R10 PolarHBondContact O-N 3.43Å | ||
| 9 | R | 62.3 | Low | 57.4 | Low | 239 Ų | 239 | 173 Ų | 173 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | -53 | 114.1 | 169.1 | -85.6 | 179 | 163 | 166.1 | -4.7 | 104.6 | R7 Q11 | R7-R9 PolarHBondContact O-N 2.9Å; R9-Q11 VanDerWaalsContact C-N 3.33Å; R9-Q11 PolarHBondContact O-N 3.25Å | ||
| 10 | R | 60.5 | Low | 58.2 | Low | 237 Ų | 237 | 173.3 Ų | 173.3 | 89% | 0.894 | 78% | 0.775 | S | S | * | * | trans | -51.2 | 109.4 | 169.3 | -74.2 | -179.5 | 175.4 | 172.7 | -2.3 | 104.3 | R8 K12 | R8-R10 PolarHBondContact O-N 3.43Å; R10-K12 PolarHBondContact O-N 2.91Å | ||
| 11 | Q | 61.5 | Low | 59 | Low | 180 Ų | 180 | 168 Ų | 168 | 84% | 0.841 | 75% | 0.753 | S | S | * | * | trans | -49.5 | 114.3 | 175.5 | -112.9 | 163.8 | -34.8 | 0 | 0 | 104.2 | R9 R13 | R9-Q11 VanDerWaalsContact C-N 3.33Å; R9-Q11 PolarHBondContact O-N 3.25Å; Q11-R13 PolarHBondContact O-N 2.93Å | ||
| 12 | K | 59.9 | Low | 60.2 | Low | 200 Ų | 200 | 158.7 Ų | 158.7 | 87% | 0.87 | 71% | 0.712 | S | S | * | * | trans | -63.3 | 92.7 | 175.2 | -82.8 | -176.2 | 177.2 | -177.2 | 0 | 104 | R10 T14 | R10-K12 PolarHBondContact O-N 2.91Å; K12-T14 PolarHBondContact O-N 3.47Å | ||
| 13 | R | 56.3 | Low | 61.3 | Low | 185 Ų | 185 | 154.6 Ų | 154.6 | 70% | 0.698 | 68% | 0.675 | S | S | * | * | trans | -51 | 117.4 | 169.5 | -75.1 | -173.1 | 174.3 | -176.1 | -2.5 | 104.9 | Q11 | Q11-R13 PolarHBondContact O-N 2.93Š| ||
| 14 | T | 55.8 | Low | 62.5 | Low | 73 Ų | 73 | 148.7 Ų | 148.7 | 45% | 0.448 | 66% | 0.66 | S | S | . | * | trans | -60.8 | 149.6 | -179.4 | 51.9 | 0 | 0 | 0 | 0 | 107.2 | K12 S16 Q17 | K12-T14 PolarHBondContact O-N 3.47Å; T14-S16 PolarHBondContact O-N 3.43Å; T14-S16 PolarHBondContact OG1-OG 3.34Å; T14-Q17 WeakPolarHBondContact O-CB 3.44Å; T14-Q17 PolarHBondContact O-N 3Å | ||
| 15 | R | 53.4 | Low | 63.9 | Low | 163 Ų | 163 | 142.4 Ų | 142.4 | 62% | 0.615 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -53 | -30.5 | 178.1 | -97 | 178.5 | 173 | 160.7 | -4.7 | 112.3 | Q17 R18 L23 S41 | R15-Q17 VanDerWaalsContact C-N 3.28Å; R15-Q17 PolarHBondContact O-N 3.43Å; R15-R18 PolarHBondContact O-N 3.25Å; R15-L23 HydrophobicContact CB-CD1 3.91Å; R15-L23 HydrophobicContact CG-CD1 4.44Å; R15-S41 WeakPolarHBondContact CD-OG 3.49Å; R15-S41 PolarHBondContact NE-OG 3.02Å; R15-S41 PolarHBondContact NH1-OG 3.01Å |
| 16 | S | 52.8 | Low | 65.2 | Low | 57 Ų | 57 | 134.7 Ų | 134.7 | 40% | 0.399 | 60% | 0.598 | S | S | . | * | G | 310 helix | trans | -65.6 | -20.3 | 173.6 | 56 | 0 | 0 | 0 | 0 | 115.3 | T14 G19 | T14-S16 PolarHBondContact O-N 3.43Å; T14-S16 PolarHBondContact OG1-OG 3.34Å; S16-G19 VanDerWaalsContact O-O 3.1Å |
| 17 | Q | 53 | Low | 66.2 | Low | 127 Ų | 127 | 127.8 Ų | 127.8 | 59% | 0.593 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -88.4 | -1.5 | 178.6 | -78.7 | -177.3 | -28.6 | 0 | 0 | 113.6 | T14 R15 | T14-Q17 WeakPolarHBondContact O-CB 3.44Å; T14-Q17 PolarHBondContact O-N 3Å; R15-Q17 VanDerWaalsContact C-N 3.28Å; R15-Q17 PolarHBondContact O-N 3.43Å |
| 18 | R | 58.5 | Low | 67.4 | Low | 202 Ų | 202 | 122.4 Ų | 122.4 | 76% | 0.762 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -86.2 | -11.5 | -177.4 | -68.4 | -171.8 | 178.8 | -173 | -3.1 | 113.7 | R15 | R15-R18 PolarHBondContact O-N 3.25Š|
| 19 | G | 60.8 | Low | 68.7 | Low | 23 Ų | 23 | 115.5 Ų | 115.5 | 24% | 0.237 | 52% | 0.524 | C | S | . | . | S | Bend | trans | -144.9 | 164 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | S16 L21 E52 | S16-G19 VanDerWaalsContact O-O 3.1Å; G19-L21 VanDerWaalsContact C-N 3.27Å; G19-E52 WeakPolarHBondContact CA-OE2 3.26Å |
| 20 | E | 72.4 | Confident | 69.7 | Low | 179 Ų | 179 | 105.5 Ų | 105.5 | 84% | 0.836 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -71.8 | -28.4 | 177.5 | -62.6 | -166.1 | 163.9 | 0 | 0 | 111.5 | P22 E52 | E20-P22 WeakPolarHBondContact O-CD 3.47Å; E20-E52 PolarHBondContact N-OE1 3.35Å |
| 21 | L | 76.4 | Confident | 70.8 | Confident | 62 Ų | 62 | 98.7 Ų | 98.7 | 33% | 0.325 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -78 | 118.2 | 174.4 | -68.5 | -177.1 | 0 | 0 | 0 | 110.9 | G19 L23 T48 L51 E52 | G19-L21 VanDerWaalsContact C-N 3.27Å; L21-L23 PolarHBondContact O-N 2.97Å; L21-T48 HydrophobicContact CB-CG2 3.45Å; L21-T48 VanDerWaalsContact CB-CG2 3.45Å; L21-T48 HydrophobicContact CD1-CG2 4.27Å; L21-T48 HydrophobicContact CG-CG2 4.49Å; L21-L51 HydrophobicContact CD1-CB 4.19Å; L21-E52 HydrophobicContact CD1-CB 3.93Å; L21-E52 HydrophobicContact CG-CB 4.4Å |
| 22 | P | 78.2 | Confident | 71.8 | Confident | 53 Ų | 53 | 94.9 Ų | 94.9 | 34% | 0.344 | 44% | 0.444 | S | S | . | . | trans | -65.8 | 119.7 | 177.9 | -19.5 | 32.3 | 0 | 0 | 0 | 110.7 | E20 S24 L25 | E20-P22 WeakPolarHBondContact O-CD 3.47Å; P22-S24 PolarHBondContact O-N 3.39Å; P22-L25 HydrophobicContact CB-CB 4.29Å; P22-L25 VanDerWaalsContact O-CB 3.31Å; P22-L25 WeakPolarHBondContact O-CB 3.34Å; P22-L25 PolarHBondContact O-N 3.21Å | ||
| 23 | L | 79.7 | Confident | 72.9 | Confident | 19 Ų | 19 | 92.1 Ų | 92.1 | 10% | 0.099 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -51.8 | -34.9 | 174.5 | -61.6 | -172.8 | 0 | 0 | 0 | 112.4 | R15 L21 L25 V26 D27 L44 T48 | R15-L23 HydrophobicContact CB-CD1 3.91Å; R15-L23 HydrophobicContact CG-CD1 4.44Å; L21-L23 PolarHBondContact O-N 2.97Å; L23-L25 VanDerWaalsContact C-N 3.26Å; L23-L25 PolarHBondContact O-N 3.47Å; L23-V26 PolarHBondContact O-N 3.44Å; L23-D27 PolarHBondContact O-N 3.01Å; L23-L44 HydrophobicContact CB-CD2 3.8Å; L23-L44 HydrophobicContact CB-CG 4.15Å; L23-L44 HydrophobicContact CD2-CG 4.34Å; L23-L44 WeakPolarHBondContact O-CD2 3.23Å; L23-T48 HydrophobicContact CD2-CG2 3.88Å; L23-T48 VanDerWaalsContact CD2-OG1 3.26Å; L23-T48 WeakPolarHBondContact CD2-OG1 3.26Å |
| 24 | S | 81.6 | Confident | 74 | Confident | 84 Ų | 84 | 90.6 Ų | 90.6 | 59% | 0.587 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -63.1 | -31 | 178.9 | 53.9 | 0 | 0 | 0 | 0 | 113.3 | P22 R28 | P22-S24 PolarHBondContact O-N 3.39Å; S24-R28 WeakPolarHBondContact O-CB 3.33Å; S24-R28 PolarHBondContact O-N 3Å; S24-R28 VanDerWaalsContact O-N 3.13Å |
| 25 | L | 82.5 | Confident | 74.9 | Confident | 68 Ų | 68 | 94.9 Ų | 94.9 | 36% | 0.356 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -69 | -48.3 | 177.1 | -176.3 | 67.1 | 0 | 0 | 0 | 109.7 | P22 L23 R28 F29 | P22-L25 HydrophobicContact CB-CB 4.29Å; P22-L25 VanDerWaalsContact O-CB 3.31Å; P22-L25 WeakPolarHBondContact O-CB 3.34Å; P22-L25 PolarHBondContact O-N 3.21Å; L23-L25 VanDerWaalsContact C-N 3.26Å; L23-L25 PolarHBondContact O-N 3.47Å; L25-R28 PolarHBondContact O-N 2.95Å; L25-F29 HydrophobicContact CD1-CD2 4.07Å; L25-F29 HydrophobicContact CD1-CE2 3.43Å; L25-F29 VanDerWaalsContact CD1-CE2 3.43Å; L25-F29 HydrophobicContact CD1-CZ 4.18Å; L25-F29 HydrophobicContact CD2-CE2 4.2Å; L25-F29 HydrophobicContact CG-CD2 3.9Å; L25-F29 HydrophobicContact CG-CE2 3.55Å; L25-F29 WeakPolarHBondContact O-CD2 3.37Å; L25-F29 PolarHBondContact O-N 2.91Å; L25-F29 VanDerWaalsContact O-N 3.08Å |
| 26 | V | 84.2 | Confident | 75.8 | Confident | 18 Ų | 18 | 88.6 Ų | 88.6 | 11% | 0.109 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 178.8 | -177.9 | 0 | 0 | 0 | 0 | 111 | L23 R28 F29 L30 L44 T48 | L23-V26 PolarHBondContact O-N 3.44Å; V26-R28 VanDerWaalsContact C-N 3.31Å; V26-R28 PolarHBondContact O-N 3.27Å; V26-F29 PolarHBondContact O-N 3.02Å; V26-L30 HydrophobicContact CG1-CD1 3.8Å; V26-L30 HydrophobicContact CG1-CG 4.29Å; V26-L30 WeakPolarHBondContact O-CB 3.18Å; V26-L30 VanDerWaalsContact O-CG 3.23Å; V26-L30 WeakPolarHBondContact O-CG 3.23Å; V26-L30 PolarHBondContact O-N 3.43Å; V26-L44 HydrophobicContact CB-CD1 3.78Å; V26-L44 HydrophobicContact CG1-CD1 3.63Å; V26-T48 HydrophobicContact CG2-CG2 4.42Å |
| 27 | D | 83.5 | Confident | 76.4 | Confident | 34 Ų | 34 | 91.3 Ų | 91.3 | 18% | 0.182 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -62.3 | -39.2 | 177.1 | -166.4 | 59 | 0 | 0 | 0 | 111.8 | L23 L30 R31 L44 | L23-D27 PolarHBondContact O-N 3.01Å; D27-L30 PolarHBondContact O-N 2.95Å; D27-R31 VanDerWaalsContact O-CG 3.26Å; D27-R31 WeakPolarHBondContact O-CG 3.48Å; D27-R31 PolarHBondContact O-N 3.11Å; D27-R31 VanDerWaalsContact O-N 3.13Å; D27-R31 IonicContact OD1-CZ 3.92Å; D27-R31 IonicContact OD1-NE 3.68Å; D27-R31 IonicContact OD1-NH2 3.43Å; D27-R31 PolarHBondContact OD1-NH2 3.13Å; D27-R31 IonicContact OD2-CZ 3.37Å; D27-R31 IonicContact OD2-NE 2.79Å; D27-R31 PolarHBondContact OD2-NE 2.79Å; D27-R31 IonicContact OD2-NH2 3.02Å; D27-R31 PolarHBondContact OD2-NH2 3.31Å; D27-L44 HydrophobicContact CB-CD1 4.03Å; D27-L44 HydrophobicContact CB-CD2 3.67Å |
| 28 | R | 84.4 | Confident | 77.4 | Confident | 127 Ų | 127 | 95.1 Ų | 95.1 | 48% | 0.479 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.3 | -50.7 | 177.6 | -168.6 | -173.1 | 75.5 | -162.9 | -1.7 | 110.8 | S24 L25 V26 L30 R31 E32 | S24-R28 WeakPolarHBondContact O-CB 3.33Å; S24-R28 PolarHBondContact O-N 3Å; S24-R28 VanDerWaalsContact O-N 3.13Å; L25-R28 PolarHBondContact O-N 2.95Å; V26-R28 VanDerWaalsContact C-N 3.31Å; V26-R28 PolarHBondContact O-N 3.27Å; R28-L30 VanDerWaalsContact C-N 3.3Å; R28-L30 PolarHBondContact O-N 3.36Å; R28-R31 PolarHBondContact O-N 3.36Å; R28-R31 VanDerWaalsContact O-N 3.1Å; R28-E32 WeakPolarHBondContact CD-OE1 3.45Å; R28-E32 HydrophobicContact CG-CG 4.45Å; R28-E32 VanDerWaalsContact CG-OE1 3.29Å; R28-E32 WeakPolarHBondContact CG-OE1 3.32Å; R28-E32 IonicContact NE-OE1 3.67Å; R28-E32 IonicContact NE-OE2 3.42Å; R28-E32 WeakPolarHBondContact O-CG 3.43Å; R28-E32 PolarHBondContact O-N 2.89Å |
| 29 | F | 84.4 | Confident | 78.4 | Confident | 95 Ų | 95 | 88.3 Ų | 88.3 | 42% | 0.417 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60 | -39.5 | 177.6 | -75.9 | -60.8 | 0 | 0 | 0 | 112.3 | L25 V26 R31 E32 E33 | L25-F29 HydrophobicContact CD1-CD2 4.07Å; L25-F29 HydrophobicContact CD1-CE2 3.43Å; L25-F29 VanDerWaalsContact CD1-CE2 3.43Å; L25-F29 HydrophobicContact CD1-CZ 4.18Å; L25-F29 HydrophobicContact CD2-CE2 4.2Å; L25-F29 HydrophobicContact CG-CD2 3.9Å; L25-F29 HydrophobicContact CG-CE2 3.55Å; L25-F29 WeakPolarHBondContact O-CD2 3.37Å; L25-F29 PolarHBondContact O-N 2.91Å; L25-F29 VanDerWaalsContact O-N 3.08Å; V26-F29 PolarHBondContact O-N 3.02Å; F29-R31 VanDerWaalsContact C-N 3.25Å; F29-R31 PolarHBondContact O-N 3.39Å; F29-E32 PolarHBondContact O-N 3.32Å; F29-E33 WeakPolarHBondContact O-CB 3.46Å; F29-E33 PolarHBondContact O-N 2.99Å |
| 30 | L | 83.6 | Confident | 79.5 | Confident | 30 Ų | 30 | 90.7 Ų | 90.7 | 16% | 0.157 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -68.8 | -21.8 | 178.2 | -68.1 | 173.6 | 0 | 0 | 0 | 113.8 | V26 D27 R28 F34 S36 L39 L44 L47 | V26-L30 HydrophobicContact CG1-CD1 3.8Å; V26-L30 HydrophobicContact CG1-CG 4.29Å; V26-L30 WeakPolarHBondContact O-CB 3.18Å; V26-L30 VanDerWaalsContact O-CG 3.23Å; V26-L30 WeakPolarHBondContact O-CG 3.23Å; V26-L30 PolarHBondContact O-N 3.43Å; D27-L30 PolarHBondContact O-N 2.95Å; R28-L30 VanDerWaalsContact C-N 3.3Å; R28-L30 PolarHBondContact O-N 3.36Å; L30-F34 HydrophobicContact CD2-CD2 3.66Å; L30-F34 HydrophobicContact CD2-CE2 3.84Å; L30-F34 WeakPolarHBondContact O-CB 3.26Å; L30-F34 PolarHBondContact O-N 3.13Å; L30-S36 PolarHBondContact O-OG 3.46Å; L30-L39 HydrophobicContact CB-CD1 3.98Å; L30-L39 HydrophobicContact CD1-CD1 3.3Å; L30-L39 HydrophobicContact CG-CD1 4.2Å; L30-L44 HydrophobicContact CD1-CD1 4.18Å; L30-L47 HydrophobicContact CD1-CD1 3.69Å |
| 31 | R | 83.2 | Confident | 79.9 | Confident | 93 Ų | 93 | 83.3 Ų | 83.3 | 35% | 0.351 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -85.1 | -36.6 | 173.3 | -70.1 | 171 | -172.7 | -68 | -6.6 | 112.3 | D27 R28 F29 H35 | D27-R31 VanDerWaalsContact O-CG 3.26Å; D27-R31 WeakPolarHBondContact O-CG 3.48Å; D27-R31 PolarHBondContact O-N 3.11Å; D27-R31 VanDerWaalsContact O-N 3.13Å; D27-R31 IonicContact OD1-CZ 3.92Å; D27-R31 IonicContact OD1-NE 3.68Å; D27-R31 IonicContact OD1-NH2 3.43Å; D27-R31 PolarHBondContact OD1-NH2 3.13Å; D27-R31 IonicContact OD2-CZ 3.37Å; D27-R31 IonicContact OD2-NE 2.79Å; D27-R31 PolarHBondContact OD2-NE 2.79Å; D27-R31 IonicContact OD2-NH2 3.02Å; D27-R31 PolarHBondContact OD2-NH2 3.31Å; R28-R31 PolarHBondContact O-N 3.36Å; R28-R31 VanDerWaalsContact O-N 3.1Å; F29-R31 VanDerWaalsContact C-N 3.25Å; F29-R31 PolarHBondContact O-N 3.39Å; R31-H35 WeakPolarHBondContact O-CA 3.37Å; R31-H35 PolarHBondContact O-N 3.1Å |
| 32 | E | 84.1 | Confident | 80.4 | Confident | 100 Ų | 100 | 84.3 Ų | 84.3 | 47% | 0.467 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -72 | -49.2 | 179.6 | -72.1 | 169.4 | 176.4 | 0 | 0 | 111 | R28 F29 | R28-E32 WeakPolarHBondContact CD-OE1 3.45Å; R28-E32 HydrophobicContact CG-CG 4.45Å; R28-E32 VanDerWaalsContact CG-OE1 3.29Å; R28-E32 WeakPolarHBondContact CG-OE1 3.32Å; R28-E32 IonicContact NE-OE1 3.67Å; R28-E32 IonicContact NE-OE2 3.42Å; R28-E32 WeakPolarHBondContact O-CG 3.43Å; R28-E32 PolarHBondContact O-N 2.89Å; F29-E32 PolarHBondContact O-N 3.32Å |
| 33 | E | 83 | Confident | 80.9 | Confident | 142 Ų | 142 | 83.6 Ų | 83.6 | 66% | 0.664 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -84 | -41.3 | -174.2 | -64.6 | -63.6 | 136.3 | 0 | 0 | 113.6 | F29 | F29-E33 WeakPolarHBondContact O-CB 3.46Å; F29-E33 PolarHBondContact O-N 2.99Å |
| 34 | F | 78.8 | Confident | 81.2 | Confident | 153 Ų | 153 | 83.3 Ų | 83.3 | 67% | 0.671 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -105.4 | 3 | -174.1 | -63 | -80.6 | 0 | 0 | 0 | 113.8 | L30 S36 | L30-F34 HydrophobicContact CD2-CD2 3.66Å; L30-F34 HydrophobicContact CD2-CE2 3.84Å; L30-F34 WeakPolarHBondContact O-CB 3.26Å; L30-F34 PolarHBondContact O-N 3.13Å; F34-S36 PolarHBondContact O-N 3.32Å |
| 35 | H | 75.2 | Confident | 81.4 | Confident | 164 Ų | 164 | 81.7 Ų | 81.7 | 76% | 0.759 | 42% | 0.415 | S | S | * | . | trans | 48.3 | 28.5 | -176.4 | -57.4 | -51.2 | 0 | 0 | 0 | 114.1 | R31 | R31-H35 WeakPolarHBondContact O-CA 3.37Å; R31-H35 PolarHBondContact O-N 3.1Å | ||
| 36 | S | 71.1 | Confident | 81.7 | Confident | 31 Ų | 31 | 85.2 Ų | 85.2 | 22% | 0.217 | 43% | 0.427 | C | S | . | . | trans | -73.2 | 133.3 | -170.2 | 64.4 | 0 | 0 | 0 | 0 | 112.2 | L30 F34 R38 | L30-S36 PolarHBondContact O-OG 3.46Å; F34-S36 PolarHBondContact O-N 3.32Å; S36-R38 PolarHBondContact O-N 2.93Å | ||
| 37 | S | 66.7 | Low | 81.9 | Confident | 113 Ų | 113 | 87.6 Ų | 87.6 | 79% | 0.79 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -81.4 | 35.1 | -167.5 | 62.4 | 0 | 0 | 0 | 0 | 115.4 | ||
| 38 | R | 72.6 | Confident | 82.1 | Confident | 207 Ų | 207 | 86.1 Ų | 86.1 | 78% | 0.781 | 43% | 0.431 | S | S | * | . | trans | 98.4 | 119.9 | -173.3 | -55.4 | 155 | -176.5 | -168.4 | 1.4 | 112.5 | S36 | S36-R38 PolarHBondContact O-N 2.93Š| ||
| 39 | L | 79.5 | Confident | 82.4 | Confident | 59 Ų | 59 | 83.2 Ų | 83.2 | 31% | 0.309 | 43% | 0.43 | S | S | . | . | trans | -91.2 | 144.9 | 167.4 | -63.9 | 170.5 | 0 | 0 | 0 | 109.7 | L30 L47 | L30-L39 HydrophobicContact CB-CD1 3.98Å; L30-L39 HydrophobicContact CD1-CD1 3.3Å; L30-L39 HydrophobicContact CG-CD1 4.2Å; L39-L47 HydrophobicContact CD1-CD1 4.49Å | ||
| 40 | S | 84.2 | Confident | 82.7 | Confident | 73 Ų | 73 | 81.4 Ų | 81.4 | 51% | 0.51 | 43% | 0.427 | S | S | . | . | trans | -60.4 | 143.5 | 167.3 | 174.5 | 0 | 0 | 0 | 0 | 108.7 | S42 A43 L44 | S40-S42 PolarHBondContact O-N 3.28Å; S40-S42 VanDerWaalsContact O-N 3.11Å; S40-S42 PolarHBondContact OG-N 3.15Å; S40-S42 PolarHBondContact OG-OG 2.93Å; S40-A43 WeakPolarHBondContact O-CB 3.48Å; S40-A43 PolarHBondContact O-N 3.23Å; S40-L44 PolarHBondContact O-N 2.89Å | ||
| 41 | S | 81.8 | Confident | 83.1 | Confident | 25 Ų | 25 | 83.9 Ų | 83.9 | 18% | 0.175 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -61.9 | -21.5 | 176.2 | -179.1 | 0 | 0 | 0 | 0 | 113.6 | R15 S45 | R15-S41 WeakPolarHBondContact CD-OG 3.49Å; R15-S41 PolarHBondContact NE-OG 3.02Å; R15-S41 PolarHBondContact NH1-OG 3.01Å; S41-S45 WeakPolarHBondContact O-CB 3.44Å; S41-S45 PolarHBondContact O-N 3.44Å |
| 42 | S | 86.4 | Confident | 83.4 | Confident | 82 Ų | 82 | 82 Ų | 82 | 57% | 0.573 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -69.1 | -44.8 | 171.3 | 53.4 | 0 | 0 | 0 | 0 | 111.5 | S40 S45 F46 | S40-S42 PolarHBondContact O-N 3.28Å; S40-S42 VanDerWaalsContact O-N 3.11Å; S40-S42 PolarHBondContact OG-N 3.15Å; S40-S42 PolarHBondContact OG-OG 2.93Å; S42-S45 PolarHBondContact O-N 3.43Å; S42-F46 PolarHBondContact O-N 3.47Å |
| 43 | A | 87.9 | Confident | 83.9 | Confident | 39 Ų | 39 | 84.6 Ų | 84.6 | 32% | 0.322 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | S40 S45 F46 L47 | S40-A43 WeakPolarHBondContact O-CB 3.48Å; S40-A43 PolarHBondContact O-N 3.23Å; A43-S45 VanDerWaalsContact C-N 3.35Å; A43-S45 PolarHBondContact O-N 3.27Å; A43-F46 WeakPolarHBondContact O-CB 2.92Å; A43-F46 PolarHBondContact O-N 2.97Å; A43-L47 WeakPolarHBondContact O-CG 3.38Å; A43-L47 PolarHBondContact O-N 2.97Å |
| 44 | L | 86 | Confident | 84.4 | Confident | 13 Ų | 13 | 80.2 Ų | 80.2 | 7% | 0.068 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 175 | -177.6 | 63.8 | 0 | 0 | 0 | 112.2 | L23 V26 D27 L30 S40 F46 L47 T48 | L23-L44 HydrophobicContact CB-CD2 3.8Å; L23-L44 HydrophobicContact CB-CG 4.15Å; L23-L44 HydrophobicContact CD2-CG 4.34Å; L23-L44 WeakPolarHBondContact O-CD2 3.23Å; V26-L44 HydrophobicContact CB-CD1 3.78Å; V26-L44 HydrophobicContact CG1-CD1 3.63Å; D27-L44 HydrophobicContact CB-CD1 4.03Å; D27-L44 HydrophobicContact CB-CD2 3.67Å; L30-L44 HydrophobicContact CD1-CD1 4.18Å; S40-L44 PolarHBondContact O-N 2.89Å; L44-F46 VanDerWaalsContact C-N 3.33Å; L44-F46 PolarHBondContact O-N 2.91Å; L44-L47 PolarHBondContact O-N 3.31Å; L44-T48 WeakPolarHBondContact O-CB 3.12Å; L44-T48 PolarHBondContact O-N 3.48Å; L44-T48 PolarHBondContact O-OG1 2.98Å |
| 45 | S | 85.8 | Confident | 85.1 | Confident | 50 Ų | 50 | 76.3 Ų | 76.3 | 35% | 0.35 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62 | -41.6 | 175.8 | -172 | 0 | 0 | 0 | 0 | 112 | S41 S42 A43 T48 S49 | S41-S45 WeakPolarHBondContact O-CB 3.44Å; S41-S45 PolarHBondContact O-N 3.44Å; S42-S45 PolarHBondContact O-N 3.43Å; A43-S45 VanDerWaalsContact C-N 3.35Å; A43-S45 PolarHBondContact O-N 3.27Å; S45-T48 PolarHBondContact O-N 2.93Å; S45-S49 WeakPolarHBondContact O-CB 3.37Å; S45-S49 PolarHBondContact O-N 3.44Å; S45-S49 PolarHBondContact O-OG 3.27Å |
| 46 | F | 89.2 | Confident | 86 | Confident | 142 Ų | 142 | 71.8 Ų | 71.8 | 62% | 0.623 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61.1 | -49.8 | 177.3 | 178.7 | -99.3 | 0 | 0 | 0 | 110.9 | S42 A43 L44 T48 S49 V50 | S42-F46 PolarHBondContact O-N 3.47Å; A43-F46 WeakPolarHBondContact O-CB 2.92Å; A43-F46 PolarHBondContact O-N 2.97Å; L44-F46 VanDerWaalsContact C-N 3.33Å; L44-F46 PolarHBondContact O-N 2.91Å; F46-T48 PolarHBondContact O-N 3.29Å; F46-S49 PolarHBondContact O-N 3.02Å; F46-V50 HydrophobicContact CD1-CG2 4.46Å; F46-V50 HydrophobicContact CE1-CG2 4.09Å; F46-V50 HydrophobicContact CE2-CG2 4.35Å; F46-V50 HydrophobicContact CZ-CG2 4.04Å; F46-V50 WeakPolarHBondContact O-CG2 3.31Å; F46-V50 PolarHBondContact O-N 2.89Å |
| 47 | L | 88.6 | Confident | 87 | Confident | 68 Ų | 68 | 72.4 Ų | 72.4 | 36% | 0.356 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.4 | -47.5 | 177.1 | -69 | 174.6 | 0 | 0 | 0 | 111.8 | L30 L39 A43 L44 S49 V50 L51 | L30-L47 HydrophobicContact CD1-CD1 3.69Å; L39-L47 HydrophobicContact CD1-CD1 4.49Å; A43-L47 WeakPolarHBondContact O-CG 3.38Å; A43-L47 PolarHBondContact O-N 2.97Å; L44-L47 PolarHBondContact O-N 3.31Å; L47-S49 VanDerWaalsContact C-N 3.35Å; L47-S49 PolarHBondContact O-N 3.4Å; L47-V50 PolarHBondContact O-N 2.85Å; L47-L51 VanDerWaalsContact O-CG 3.31Å; L47-L51 WeakPolarHBondContact O-CG 3.47Å; L47-L51 PolarHBondContact O-N 2.98Å |
| 48 | T | 88 | Confident | 88.4 | Confident | 3 Ų | 3 | 68.1 Ų | 68.1 | 2% | 0.018 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 177.9 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | L21 L23 V26 L44 S45 F46 V50 L51 E52 | L21-T48 HydrophobicContact CB-CG2 3.45Å; L21-T48 VanDerWaalsContact CB-CG2 3.45Å; L21-T48 HydrophobicContact CD1-CG2 4.27Å; L21-T48 HydrophobicContact CG-CG2 4.49Å; L23-T48 HydrophobicContact CD2-CG2 3.88Å; L23-T48 VanDerWaalsContact CD2-OG1 3.26Å; L23-T48 WeakPolarHBondContact CD2-OG1 3.26Å; V26-T48 HydrophobicContact CG2-CG2 4.42Å; L44-T48 WeakPolarHBondContact O-CB 3.12Å; L44-T48 PolarHBondContact O-N 3.48Å; L44-T48 PolarHBondContact O-OG1 2.98Å; S45-T48 PolarHBondContact O-N 2.93Å; F46-T48 PolarHBondContact O-N 3.29Å; T48-V50 PolarHBondContact O-N 3.47Å; T48-L51 PolarHBondContact O-N 2.9Å; T48-E52 VanDerWaalsContact O-CB 3.3Å; T48-E52 WeakPolarHBondContact O-CB 3.28Å; T48-E52 PolarHBondContact O-N 3.46Å |
| 49 | S | 89.7 | Confident | 89.5 | Confident | 66 Ų | 66 | 62.4 Ų | 62.4 | 46% | 0.462 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.4 | -39.3 | 177.4 | -67.2 | 0 | 0 | 0 | 0 | 112.6 | S45 F46 L47 Y53 | S45-S49 WeakPolarHBondContact O-CB 3.37Å; S45-S49 PolarHBondContact O-N 3.44Å; S45-S49 PolarHBondContact O-OG 3.27Å; F46-S49 PolarHBondContact O-N 3.02Å; L47-S49 VanDerWaalsContact C-N 3.35Å; L47-S49 PolarHBondContact O-N 3.4Å; S49-Y53 VanDerWaalsContact O-CB 3.3Å; S49-Y53 WeakPolarHBondContact O-CB 3.47Å; S49-Y53 PolarHBondContact O-N 2.92Å |
| 50 | V | 92.2 | Very high | 90.2 | Very high | 57 Ų | 57 | 66.1 Ų | 66.1 | 35% | 0.345 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.5 | -46.1 | 175.2 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | F46 L47 T48 E52 Y53 L54 | F46-V50 HydrophobicContact CD1-CG2 4.46Å; F46-V50 HydrophobicContact CE1-CG2 4.09Å; F46-V50 HydrophobicContact CE2-CG2 4.35Å; F46-V50 HydrophobicContact CZ-CG2 4.04Å; F46-V50 WeakPolarHBondContact O-CG2 3.31Å; F46-V50 PolarHBondContact O-N 2.89Å; L47-V50 PolarHBondContact O-N 2.85Å; T48-V50 PolarHBondContact O-N 3.47Å; V50-E52 PolarHBondContact O-N 3.47Å; V50-Y53 PolarHBondContact O-N 2.9Å; V50-L54 HydrophobicContact CG1-CD1 3.85Å; V50-L54 HydrophobicContact CG1-CG 4.33Å; V50-L54 WeakPolarHBondContact O-CB 3.45Å; V50-L54 VanDerWaalsContact O-CG 3.26Å; V50-L54 WeakPolarHBondContact O-CG 3.13Å; V50-L54 PolarHBondContact O-N 2.99Å |
| 51 | L | 91.1 | Very high | 90.8 | Very high | 81 Ų | 81 | 65.2 Ų | 65.2 | 42% | 0.424 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 177.9 | -68.2 | 173.7 | 0 | 0 | 0 | 112.2 | L21 L47 T48 T55 | L21-L51 HydrophobicContact CD1-CB 4.19Å; L47-L51 VanDerWaalsContact O-CG 3.31Å; L47-L51 WeakPolarHBondContact O-CG 3.47Å; L47-L51 PolarHBondContact O-N 2.98Å; T48-L51 PolarHBondContact O-N 2.9Å; L51-T55 VanDerWaalsContact O-CB 3.26Å; L51-T55 WeakPolarHBondContact O-CB 3.37Å; L51-T55 PolarHBondContact O-N 3.36Å; L51-T55 PolarHBondContact O-OG1 3.3Å |
| 52 | E | 90.3 | Very high | 91.5 | Very high | 55 Ų | 55 | 64 Ų | 64 | 26% | 0.257 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64 | -45.9 | 177.7 | -171.6 | 168.1 | -174.7 | 0 | 0 | 111 | G19 E20 L21 T48 V50 T55 S56 | G19-E52 WeakPolarHBondContact CA-OE2 3.26Å; E20-E52 PolarHBondContact N-OE1 3.35Å; L21-E52 HydrophobicContact CD1-CB 3.93Å; L21-E52 HydrophobicContact CG-CB 4.4Å; T48-E52 VanDerWaalsContact O-CB 3.3Å; T48-E52 WeakPolarHBondContact O-CB 3.28Å; T48-E52 PolarHBondContact O-N 3.46Å; V50-E52 PolarHBondContact O-N 3.47Å; E52-T55 PolarHBondContact O-N 3.46Å; E52-S56 VanDerWaalsContact O-CB 3.25Å; E52-S56 WeakPolarHBondContact O-CB 3.3Å; E52-S56 PolarHBondContact O-N 3.08Å |
| 53 | Y | 93.5 | Very high | 92 | Very high | 153 Ų | 153 | 61.4 Ų | 61.4 | 60% | 0.6 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -59.8 | -50.8 | 175.7 | 170.2 | -105.7 | 0 | 0 | 0 | 112.1 | S49 V50 T55 S56 N57 | S49-Y53 VanDerWaalsContact O-CB 3.3Å; S49-Y53 WeakPolarHBondContact O-CB 3.47Å; S49-Y53 PolarHBondContact O-N 2.92Å; V50-Y53 PolarHBondContact O-N 2.9Å; Y53-T55 PolarHBondContact O-N 2.91Å; Y53-S56 PolarHBondContact O-N 3.07Å; Y53-N57 WeakPolarHBondContact O-CB 3.4Å; Y53-N57 PolarHBondContact O-N 2.97Å |
| 54 | L | 93.4 | Very high | 92.4 | Very high | 50 Ų | 50 | 65 Ų | 65 | 26% | 0.262 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | -179.1 | -69.7 | 175.1 | 0 | 0 | 0 | 111.6 | V50 N57 I58 L92 | V50-L54 HydrophobicContact CG1-CD1 3.85Å; V50-L54 HydrophobicContact CG1-CG 4.33Å; V50-L54 WeakPolarHBondContact O-CB 3.45Å; V50-L54 VanDerWaalsContact O-CG 3.26Å; V50-L54 WeakPolarHBondContact O-CG 3.13Å; V50-L54 PolarHBondContact O-N 2.99Å; L54-N57 PolarHBondContact O-N 3.06Å; L54-I58 VanDerWaalsContact O-CG1 3.28Å; L54-I58 WeakPolarHBondContact O-CG1 3.37Å; L54-I58 PolarHBondContact O-N 2.89Å; L54-L92 HydrophobicContact CD1-CD2 4.27Å |
| 55 | T | 93.4 | Very high | 92.8 | Very high | 71 Ų | 71 | 65.7 Ų | 65.7 | 44% | 0.436 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.9 | -45 | 178.1 | -54 | 0 | 0 | 0 | 0 | 110.6 | L51 E52 Y53 N57 I58 L59 | L51-T55 VanDerWaalsContact O-CB 3.26Å; L51-T55 WeakPolarHBondContact O-CB 3.37Å; L51-T55 PolarHBondContact O-N 3.36Å; L51-T55 PolarHBondContact O-OG1 3.3Å; E52-T55 PolarHBondContact O-N 3.46Å; Y53-T55 PolarHBondContact O-N 2.91Å; T55-N57 PolarHBondContact O-N 3.47Å; T55-I58 PolarHBondContact O-N 2.92Å; T55-L59 HydrophobicContact CG2-CD1 3.89Å; T55-L59 HydrophobicContact CG2-CG 4.32Å; T55-L59 WeakPolarHBondContact O-CB 3.39Å; T55-L59 VanDerWaalsContact O-CG 3.25Å; T55-L59 WeakPolarHBondContact O-CG 3.39Å; T55-L59 PolarHBondContact O-N 2.89Å |
| 56 | S | 94.4 | Very high | 93.4 | Very high | 69 Ų | 69 | 63.5 Ų | 63.5 | 48% | 0.483 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 176.8 | -172 | 0 | 0 | 0 | 0 | 111.8 | E52 Y53 I58 L59 E60 | E52-S56 VanDerWaalsContact O-CB 3.25Å; E52-S56 WeakPolarHBondContact O-CB 3.3Å; E52-S56 PolarHBondContact O-N 3.08Å; Y53-S56 PolarHBondContact O-N 3.07Å; S56-I58 VanDerWaalsContact C-N 3.35Å; S56-I58 PolarHBondContact O-N 3.03Å; S56-L59 PolarHBondContact O-N 3.34Å; S56-E60 WeakPolarHBondContact O-CB 3.35Å; S56-E60 PolarHBondContact O-N 3.26Å |
| 57 | N | 93.3 | Very high | 93.7 | Very high | 45 Ų | 45 | 63.8 Ų | 63.8 | 24% | 0.241 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 179.8 | -174 | 57.5 | 0 | 0 | 0 | 111.9 | Y53 L54 T55 L61 | Y53-N57 WeakPolarHBondContact O-CB 3.4Å; Y53-N57 PolarHBondContact O-N 2.97Å; L54-N57 PolarHBondContact O-N 3.06Å; T55-N57 PolarHBondContact O-N 3.47Å; N57-L61 WeakPolarHBondContact O-CG 3.3Å; N57-L61 PolarHBondContact O-N 3.47Å |
| 58 | I | 95.2 | Very high | 94 | Very high | 23 Ų | 23 | 65.7 Ų | 65.7 | 12% | 0.118 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.6 | -43.6 | 176.6 | -66.7 | 166.9 | 0 | 0 | 0 | 110.8 | L54 T55 S56 A62 V79 L89 F93 | L54-I58 VanDerWaalsContact O-CG1 3.28Å; L54-I58 WeakPolarHBondContact O-CG1 3.37Å; L54-I58 PolarHBondContact O-N 2.89Å; T55-I58 PolarHBondContact O-N 2.92Å; S56-I58 VanDerWaalsContact C-N 3.35Å; S56-I58 PolarHBondContact O-N 3.03Å; I58-A62 WeakPolarHBondContact O-CB 3.29Å; I58-A62 PolarHBondContact O-N 3.4Å; I58-V79 HydrophobicContact CG2-CG1 3.99Å; I58-L89 HydrophobicContact CD1-CD2 4.1Å; I58-L89 HydrophobicContact CG1-CD1 3.88Å; I58-L89 HydrophobicContact CG1-CD2 4.01Å; I58-F93 HydrophobicContact CD1-CE2 4.02Å; I58-F93 HydrophobicContact CD1-CZ 3.96Å |
| 59 | L | 95.5 | Very high | 94.3 | Very high | 87 Ų | 87 | 69.5 Ų | 69.5 | 46% | 0.455 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.7 | -35.2 | -178.5 | -72.9 | 177.7 | 0 | 0 | 0 | 112.9 | T55 S56 A62 G63 I74 | T55-L59 HydrophobicContact CG2-CD1 3.89Å; T55-L59 HydrophobicContact CG2-CG 4.32Å; T55-L59 WeakPolarHBondContact O-CB 3.39Å; T55-L59 VanDerWaalsContact O-CG 3.25Å; T55-L59 WeakPolarHBondContact O-CG 3.39Å; T55-L59 PolarHBondContact O-N 2.89Å; S56-L59 PolarHBondContact O-N 3.34Å; L59-A62 PolarHBondContact O-N 2.68Å; L59-G63 PolarHBondContact O-N 3Å; L59-I74 HydrophobicContact CD2-CD1 4.12Å |
| 60 | E | 94.9 | Very high | 94.5 | Very high | 136 Ų | 136 | 69.6 Ų | 69.6 | 64% | 0.636 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -62.2 | -53.1 | 175.4 | -179 | 168.8 | -167.2 | 0 | 0 | 110.8 | S56 A62 G63 E64 | S56-E60 WeakPolarHBondContact O-CB 3.35Å; S56-E60 PolarHBondContact O-N 3.26Å; E60-A62 VanDerWaalsContact C-N 3.33Å; E60-A62 PolarHBondContact O-N 3.38Å; E60-G63 PolarHBondContact O-N 2.88Å; E60-G63 VanDerWaalsContact O-N 3.16Å; E60-E64 PolarHBondContact O-N 2.94Å |
| 61 | L | 95.6 | Very high | 94.5 | Very high | 55 Ų | 55 | 70.8 Ų | 70.8 | 29% | 0.288 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.8 | -40.9 | 177 | -65.6 | 174.3 | 0 | 0 | 0 | 111.8 | N57 G63 E64 V65 V82 | N57-L61 WeakPolarHBondContact O-CG 3.3Å; N57-L61 PolarHBondContact O-N 3.47Å; L61-G63 VanDerWaalsContact C-N 3.29Å; L61-G63 PolarHBondContact O-N 3.22Å; L61-E64 WeakPolarHBondContact O-CB 3.28Å; L61-E64 PolarHBondContact O-N 2.87Å; L61-V65 WeakPolarHBondContact O-CG2 3.46Å; L61-V65 PolarHBondContact O-N 3.17Å; L61-V82 HydrophobicContact CB-CB 4.31Å; L61-V82 HydrophobicContact CB-CG1 3.58Å; L61-V82 HydrophobicContact CB-CG2 3.69Å; L61-V82 HydrophobicContact CD1-CG1 3.78Å; L61-V82 HydrophobicContact CG-CG1 4.35Å |
| 62 | A | 96.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -69.2 | -31.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I58 L59 E60 V65 A66 I74 D78 V79 V82 | I58-A62 WeakPolarHBondContact O-CB 3.29Å; I58-A62 PolarHBondContact O-N 3.4Å; L59-A62 PolarHBondContact O-N 2.68Å; E60-A62 VanDerWaalsContact C-N 3.33Å; E60-A62 PolarHBondContact O-N 3.38Å; A62-V65 PolarHBondContact O-N 3.38Å; A62-A66 WeakPolarHBondContact O-CB 3.47Å; A62-A66 PolarHBondContact O-N 2.71Å; A62-I74 HydrophobicContact CB-CD1 4.35Å; A62-I74 HydrophobicContact CB-CG2 3.76Å; A62-D78 HydrophobicContact CB-CB 4.23Å; A62-V79 HydrophobicContact CB-CG2 3.91Å; A62-V82 HydrophobicContact CB-CG2 4.26Å |
| 63 | G | 97.3 | Very high | 94.9 | Very high | 26 Ų | 26 | 84.8 Ų | 84.8 | 27% | 0.268 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L59 E60 L61 A66 Q67 | L59-G63 PolarHBondContact O-N 3Å; E60-G63 PolarHBondContact O-N 2.88Å; E60-G63 VanDerWaalsContact O-N 3.16Å; L61-G63 VanDerWaalsContact C-N 3.29Å; L61-G63 PolarHBondContact O-N 3.22Å; G63-A66 PolarHBondContact O-N 2.87Å; G63-Q67 WeakPolarHBondContact O-CB 3.33Å; G63-Q67 PolarHBondContact O-N 2.9Å |
| 64 | E | 95.7 | Very high | 95 | Very high | 116 Ų | 116 | 81.1 Ų | 81.1 | 54% | 0.542 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 174.1 | -171.8 | 179.4 | 173.7 | 0 | 0 | 111.3 | E60 L61 A66 Q67 T68 | E60-E64 PolarHBondContact O-N 2.94Å; L61-E64 WeakPolarHBondContact O-CB 3.28Å; L61-E64 PolarHBondContact O-N 2.87Å; E64-A66 VanDerWaalsContact C-N 3.35Å; E64-A66 PolarHBondContact O-N 3.06Å; E64-Q67 PolarHBondContact O-N 2.8Å; E64-T68 WeakPolarHBondContact O-CG2 3.47Å; E64-T68 PolarHBondContact O-N 3.06Å; E64-T68 PolarHBondContact O-OG1 3.35Å |
| 65 | V | 96.3 | Very high | 95 | Very high | 27 Ų | 27 | 79.6 Ų | 79.6 | 16% | 0.164 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 176 | 179.7 | 0 | 0 | 0 | 0 | 111.6 | L61 A62 Q67 T68 T69 D78 L81 V82 | L61-V65 WeakPolarHBondContact O-CG2 3.46Å; L61-V65 PolarHBondContact O-N 3.17Å; A62-V65 PolarHBondContact O-N 3.38Å; V65-Q67 VanDerWaalsContact C-N 3.35Å; V65-Q67 PolarHBondContact O-N 2.84Å; V65-T68 WeakPolarHBondContact CA-OG1 3.31Å; V65-T68 PolarHBondContact O-N 3.48Å; V65-T68 PolarHBondContact O-OG1 2.95Å; V65-T69 WeakPolarHBondContact O-CB 3.25Å; V65-T69 PolarHBondContact O-N 3.03Å; V65-T69 PolarHBondContact O-OG1 3.27Å; V65-D78 HydrophobicContact CB-CB 4.2Å; V65-D78 HydrophobicContact CG1-CB 4.11Å; V65-D78 WeakPolarHBondContact CG1-OD1 3.26Å; V65-L81 HydrophobicContact CG1-CD2 3.67Å; V65-L81 HydrophobicContact CG2-CD2 4.38Å; V65-V82 HydrophobicContact CG2-CG2 3.81Å |
| 66 | A | 96.8 | Very high | 95.2 | Very high | 3 Ų | 3 | 81 Ų | 81 | 3% | 0.025 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A62 G63 E64 T69 G70 R71 I74 D78 | A62-A66 WeakPolarHBondContact O-CB 3.47Å; A62-A66 PolarHBondContact O-N 2.71Å; G63-A66 PolarHBondContact O-N 2.87Å; E64-A66 VanDerWaalsContact C-N 3.35Å; E64-A66 PolarHBondContact O-N 3.06Å; A66-T69 CarbonylContact O-C 3.56Å; A66-T69 PolarHBondContact O-N 3.36Å; A66-G70 PolarHBondContact O-N 2.93Å; A66-R71 CarbonylContact C-O 3.45Å; A66-R71 HydrophobicContact CB-CB 4.49Å; A66-R71 WeakPolarHBondContact O-CA 3.38Å; A66-R71 PolarHBondContact O-N 2.99Å; A66-I74 HydrophobicContact CB-CG1 4.3Å; A66-D78 WeakPolarHBondContact CB-OD2 3.45Å; A66-D78 PolarHBondContact N-OD1 3.41Å |
| 67 | Q | 96 | Very high | 95.2 | Very high | 148 Ų | 148 | 83.1 Ų | 83.1 | 69% | 0.692 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -64.6 | -43 | 179.4 | -173.3 | 179.3 | 36.5 | 0 | 0 | 111.9 | G63 E64 V65 T69 G70 | G63-Q67 WeakPolarHBondContact O-CB 3.33Å; G63-Q67 PolarHBondContact O-N 2.9Å; E64-Q67 PolarHBondContact O-N 2.8Å; V65-Q67 VanDerWaalsContact C-N 3.35Å; V65-Q67 PolarHBondContact O-N 2.84Å; Q67-T69 VanDerWaalsContact C-N 3.25Å; Q67-T69 PolarHBondContact O-N 2.9Å; Q67-G70 WeakPolarHBondContact O-CA 3.47Å; Q67-G70 PolarHBondContact O-N 2.94Å |
| 68 | T | 95.6 | Very high | 95.3 | Very high | 108 Ų | 108 | 81 Ų | 81 | 66% | 0.663 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64.4 | -31.4 | 175.9 | 56.6 | 0 | 0 | 0 | 0 | 112.2 | E64 V65 G70 | E64-T68 WeakPolarHBondContact O-CG2 3.47Å; E64-T68 PolarHBondContact O-N 3.06Å; E64-T68 PolarHBondContact O-OG1 3.35Å; V65-T68 WeakPolarHBondContact CA-OG1 3.31Å; V65-T68 PolarHBondContact O-N 3.48Å; V65-T68 PolarHBondContact O-OG1 2.95Å; T68-G70 PolarHBondContact O-N 3.45Å |
| 69 | T | 93.6 | Very high | 95.3 | Very high | 83 Ų | 83 | 82.2 Ų | 82.2 | 51% | 0.509 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -0 | 172.5 | -48.6 | 0 | 0 | 0 | 0 | 112.7 | V65 A66 Q67 R71 | V65-T69 WeakPolarHBondContact O-CB 3.25Å; V65-T69 PolarHBondContact O-N 3.03Å; V65-T69 PolarHBondContact O-OG1 3.27Å; A66-T69 CarbonylContact O-C 3.56Å; A66-T69 PolarHBondContact O-N 3.36Å; Q67-T69 VanDerWaalsContact C-N 3.25Å; Q67-T69 PolarHBondContact O-N 2.9Å; T69-R71 HydrophobicContact CG2-CG 4.19Å; T69-R71 PolarHBondContact O-N 3.38Å |
| 70 | G | 94.2 | Very high | 95.3 | Very high | 68 Ų | 68 | 83.3 Ų | 83.3 | 70% | 0.701 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | 13.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A66 Q67 T68 | A66-G70 PolarHBondContact O-N 2.93Å; Q67-G70 WeakPolarHBondContact O-CA 3.47Å; Q67-G70 PolarHBondContact O-N 2.94Å; T68-G70 PolarHBondContact O-N 3.45Å |
| 71 | R | 92.6 | Very high | 95.3 | Very high | 82 Ų | 82 | 80.2 Ų | 80.2 | 31% | 0.309 | 42% | 0.419 | S | S | . | . | trans | -91.8 | 139 | 178.8 | -62.2 | -172.1 | -72 | -175 | -7.7 | 110.4 | A66 T69 E77 D78 | A66-R71 CarbonylContact C-O 3.45Å; A66-R71 HydrophobicContact CB-CB 4.49Å; A66-R71 WeakPolarHBondContact O-CA 3.38Å; A66-R71 PolarHBondContact O-N 2.99Å; T69-R71 HydrophobicContact CG2-CG 4.19Å; T69-R71 PolarHBondContact O-N 3.38Å; R71-E77 IonicContact NH1-OE2 3.96Å; R71-E77 PolarHBondContact NH1-OE2 3.49Å; R71-E77 VanDerWaalsContact NH1-OE2 3.08Å; R71-E77 IonicContact NH2-OE2 3.58Å; R71-D78 IonicContact CZ-OD1 2.62Å; R71-D78 IonicContact CZ-OD2 3.07Å; R71-D78 IonicContact NE-OD1 3.08Å; R71-D78 IonicContact NE-OD2 3.58Å; R71-D78 IonicContact NH2-OD1 3.98Å; R71-D78 PolarHBondContact NH2-OD1 2.81Å; R71-D78 IonicContact NH2-OD2 3.8Å; R71-D78 PolarHBondContact NH2-OD2 3.48Å | ||
| 72 | K | 92.7 | Very high | 95.3 | Very high | 216 Ų | 216 | 78 Ų | 78 | 94% | 0.939 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -84.7 | -9.8 | 174 | -67 | -174.3 | 179.2 | -179.3 | 0 | 113.7 | ||
| 73 | R | 96.3 | Very high | 95.1 | Very high | 215 Ų | 215 | 79.3 Ų | 79.3 | 81% | 0.811 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -126.5 | 136.5 | -176.4 | -65.4 | -177 | 178.8 | -176.9 | -0.3 | 108.5 | ||
| 74 | I | 95 | Very high | 94.9 | Very high | 75 Ų | 75 | 82.6 Ų | 82.6 | 39% | 0.385 | 43% | 0.425 | S | S | . | . | trans | -66.9 | 129.8 | 170.7 | -59.3 | 172.2 | 0 | 0 | 0 | 108.1 | L59 A62 A66 D78 V79 | L59-I74 HydrophobicContact CD2-CD1 4.12Å; A62-I74 HydrophobicContact CB-CD1 4.35Å; A62-I74 HydrophobicContact CB-CG2 3.76Å; A66-I74 HydrophobicContact CB-CG1 4.3Å; I74-D78 HydrophobicContact CG2-CB 4.17Å; I74-V79 HydrophobicContact CG2-CG2 3.86Å | ||
| 75 | A | 95.3 | Very high | 94.8 | Very high | 19 Ų | 19 | 82.6 Ų | 82.6 | 16% | 0.157 | 43% | 0.429 | C | S | . | . | trans | -111 | 165.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | E77 D78 | A75-E77 WeakPolarHBondContact CB-OE2 3.31Å; A75-E77 PolarHBondContact O-N 3.3Å; A75-E77 VanDerWaalsContact O-N 3.16Å; A75-D78 PolarHBondContact N-OD2 3.33Å; A75-D78 WeakPolarHBondContact O-CB 3.36Å; A75-D78 PolarHBondContact O-N 2.88Å; A75-D78 VanDerWaalsContact O-N 3.07Å | ||
| 76 | P | 96.3 | Very high | 94.6 | Very high | 101 Ų | 101 | 83.2 Ų | 83.2 | 66% | 0.656 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -56 | -32.9 | 179.2 | -25.3 | 35.6 | 0 | 0 | 0 | 113.2 | D78 V79 H80 | P76-D78 VanDerWaalsContact C-N 3.34Å; P76-D78 PolarHBondContact O-N 2.91Å; P76-V79 PolarHBondContact O-N 2.94Å; P76-H80 WeakPolarHBondContact O-CB 3.33Å; P76-H80 PolarHBondContact O-N 3.47Å |
| 77 | E | 95.6 | Very high | 94.3 | Very high | 113 Ų | 113 | 89.4 Ų | 89.4 | 53% | 0.528 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.7 | -33.7 | 179.9 | -51.4 | 78.5 | -149 | 0 | 0 | 112.4 | R71 A75 H80 L81 | R71-E77 IonicContact NH1-OE2 3.96Å; R71-E77 PolarHBondContact NH1-OE2 3.49Å; R71-E77 VanDerWaalsContact NH1-OE2 3.08Å; R71-E77 IonicContact NH2-OE2 3.58Å; A75-E77 WeakPolarHBondContact CB-OE2 3.31Å; A75-E77 PolarHBondContact O-N 3.3Å; A75-E77 VanDerWaalsContact O-N 3.16Å; E77-H80 PolarHBondContact O-N 3.38Å; E77-L81 WeakPolarHBondContact O-CB 3.22Å; E77-L81 PolarHBondContact O-N 3.48Å |
| 78 | D | 95.1 | Very high | 94 | Very high | 1 Ų | 1 | 89.5 Ų | 89.5 | 1% | 0.005 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -65.2 | -46.9 | 178.9 | -60.9 | -50.9 | 0 | 0 | 0 | 110.3 | A62 V65 A66 R71 I74 A75 P76 H80 L81 V82 | A62-D78 HydrophobicContact CB-CB 4.23Å; V65-D78 HydrophobicContact CB-CB 4.2Å; V65-D78 HydrophobicContact CG1-CB 4.11Å; V65-D78 WeakPolarHBondContact CG1-OD1 3.26Å; A66-D78 WeakPolarHBondContact CB-OD2 3.45Å; A66-D78 PolarHBondContact N-OD1 3.41Å; R71-D78 IonicContact CZ-OD1 2.62Å; R71-D78 IonicContact CZ-OD2 3.07Å; R71-D78 IonicContact NE-OD1 3.08Å; R71-D78 IonicContact NE-OD2 3.58Å; R71-D78 IonicContact NH2-OD1 3.98Å; R71-D78 PolarHBondContact NH2-OD1 2.81Å; R71-D78 IonicContact NH2-OD2 3.8Å; R71-D78 PolarHBondContact NH2-OD2 3.48Å; I74-D78 HydrophobicContact CG2-CB 4.17Å; A75-D78 PolarHBondContact N-OD2 3.33Å; A75-D78 WeakPolarHBondContact O-CB 3.36Å; A75-D78 PolarHBondContact O-N 2.88Å; A75-D78 VanDerWaalsContact O-N 3.07Å; P76-D78 VanDerWaalsContact C-N 3.34Å; P76-D78 PolarHBondContact O-N 2.91Å; D78-H80 VanDerWaalsContact C-N 3.32Å; D78-H80 PolarHBondContact O-N 3.02Å; D78-L81 PolarHBondContact O-N 3Å; D78-V82 WeakPolarHBondContact O-CG2 3.38Å; D78-V82 PolarHBondContact O-N 3.48Å |
| 79 | V | 95.3 | Very high | 93.7 | Very high | 48 Ų | 48 | 84.7 Ų | 84.7 | 29% | 0.291 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 177.6 | -179 | 0 | 0 | 0 | 0 | 110.2 | I58 A62 I74 P76 L81 V82 V83 | I58-V79 HydrophobicContact CG2-CG1 3.99Å; A62-V79 HydrophobicContact CB-CG2 3.91Å; I74-V79 HydrophobicContact CG2-CG2 3.86Å; P76-V79 PolarHBondContact O-N 2.94Å; V79-L81 PolarHBondContact O-N 3.02Å; V79-V82 PolarHBondContact O-N 3.03Å; V79-V83 HydrophobicContact CG1-CG2 4.41Å; V79-V83 WeakPolarHBondContact O-CG2 3.25Å; V79-V83 PolarHBondContact O-N 3.45Å |
| 80 | H | 95.1 | Very high | 93.6 | Very high | 109 Ų | 109 | 88 Ų | 88 | 51% | 0.505 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 177.5 | -172.8 | 71.5 | 0 | 0 | 0 | 112.1 | P76 E77 D78 V83 Q84 | P76-H80 WeakPolarHBondContact O-CB 3.33Å; P76-H80 PolarHBondContact O-N 3.47Å; E77-H80 PolarHBondContact O-N 3.38Å; D78-H80 VanDerWaalsContact C-N 3.32Å; D78-H80 PolarHBondContact O-N 3.02Å; H80-V83 PolarHBondContact O-N 3.16Å; H80-Q84 PolarHBondContact CE1-NE2 3.5Å; H80-Q84 PolarHBondContact NE2-NE2 3.27Å; H80-Q84 WeakPolarHBondContact O-CB 3.42Å; H80-Q84 WeakPolarHBondContact O-CG 3.32Å; H80-Q84 PolarHBondContact O-N 2.83Å |
| 81 | L | 94.5 | Very high | 93.3 | Very high | 71 Ų | 71 | 90.1 Ų | 90.1 | 37% | 0.372 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 178.2 | -174.1 | 65.6 | 0 | 0 | 0 | 111.7 | V65 E77 D78 V79 V83 Q84 N85 | V65-L81 HydrophobicContact CG1-CD2 3.67Å; V65-L81 HydrophobicContact CG2-CD2 4.38Å; E77-L81 WeakPolarHBondContact O-CB 3.22Å; E77-L81 PolarHBondContact O-N 3.48Å; D78-L81 PolarHBondContact O-N 3Å; V79-L81 PolarHBondContact O-N 3.02Å; L81-V83 PolarHBondContact O-N 3.17Å; L81-Q84 PolarHBondContact O-N 2.9Å; L81-N85 WeakPolarHBondContact CG-ND2 3.36Å; L81-N85 VanDerWaalsContact O-CB 3.31Å; L81-N85 WeakPolarHBondContact O-CB 3.49Å; L81-N85 PolarHBondContact O-N 3Å; L81-N85 PolarHBondContact O-ND2 2.8Å |
| 82 | V | 95.4 | Very high | 93.1 | Very high | 9 Ų | 9 | 90.6 Ų | 90.6 | 6% | 0.055 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -59.4 | -47 | 176.1 | 167.6 | 0 | 0 | 0 | 0 | 111.4 | L61 A62 V65 D78 V79 Q84 N85 N86 L89 | L61-V82 HydrophobicContact CB-CB 4.31Å; L61-V82 HydrophobicContact CB-CG1 3.58Å; L61-V82 HydrophobicContact CB-CG2 3.69Å; L61-V82 HydrophobicContact CD1-CG1 3.78Å; L61-V82 HydrophobicContact CG-CG1 4.35Å; A62-V82 HydrophobicContact CB-CG2 4.26Å; V65-V82 HydrophobicContact CG2-CG2 3.81Å; D78-V82 WeakPolarHBondContact O-CG2 3.38Å; D78-V82 PolarHBondContact O-N 3.48Å; V79-V82 PolarHBondContact O-N 3.03Å; V82-Q84 VanDerWaalsContact C-N 3.33Å; V82-Q84 PolarHBondContact O-N 3.41Å; V82-N85 PolarHBondContact O-N 3.07Å; V82-N86 WeakPolarHBondContact O-CB 3.4Å; V82-N86 PolarHBondContact O-N 2.62Å; V82-L89 HydrophobicContact CG1-CD1 3.93Å |
| 83 | V | 93.3 | Very high | 92.9 | Very high | 28 Ų | 28 | 85.9 Ų | 85.9 | 17% | 0.17 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -64 | -39.5 | 178.6 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | V79 H80 L81 L89 R90 F93 | V79-V83 HydrophobicContact CG1-CG2 4.41Å; V79-V83 WeakPolarHBondContact O-CG2 3.25Å; V79-V83 PolarHBondContact O-N 3.45Å; H80-V83 PolarHBondContact O-N 3.16Å; L81-V83 PolarHBondContact O-N 3.17Å; V83-L89 HydrophobicContact CG1-CB 4.5Å; V83-L89 HydrophobicContact CG2-CD1 4.46Å; V83-R90 WeakPolarHBondContact O-CG 3.5Å; V83-F93 HydrophobicContact CG1-CD2 3.73Å; V83-F93 HydrophobicContact CG1-CE2 4.43Å; V83-F93 HydrophobicContact CG2-CD2 4.05Å; V83-F93 HydrophobicContact CG2-CE2 3.92Å |
| 84 | Q | 93.1 | Very high | 92.4 | Very high | 95 Ų | 95 | 82.5 Ų | 82.5 | 44% | 0.444 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -73.3 | -27.9 | 178.4 | -75 | -167.6 | -6.3 | 0 | 0 | 114.4 | H80 L81 V82 R90 | H80-Q84 PolarHBondContact CE1-NE2 3.5Å; H80-Q84 PolarHBondContact NE2-NE2 3.27Å; H80-Q84 WeakPolarHBondContact O-CB 3.42Å; H80-Q84 WeakPolarHBondContact O-CG 3.32Å; H80-Q84 PolarHBondContact O-N 2.83Å; L81-Q84 PolarHBondContact O-N 2.9Å; V82-Q84 VanDerWaalsContact C-N 3.33Å; V82-Q84 PolarHBondContact O-N 3.41Å; Q84-R90 VanDerWaalsContact O-CD 3.23Å; Q84-R90 WeakPolarHBondContact O-CD 3.5Å |
| 85 | N | 92.5 | Very high | 91.7 | Very high | 116 Ų | 116 | 84.9 Ų | 84.9 | 62% | 0.62 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -86.5 | -23.8 | -178.8 | -70.7 | -13.5 | 0 | 0 | 0 | 112.5 | L81 V82 | L81-N85 WeakPolarHBondContact CG-ND2 3.36Å; L81-N85 VanDerWaalsContact O-CB 3.31Å; L81-N85 WeakPolarHBondContact O-CB 3.49Å; L81-N85 PolarHBondContact O-N 3Å; L81-N85 PolarHBondContact O-ND2 2.8Å; V82-N85 PolarHBondContact O-N 3.07Å |
| 86 | N | 91.7 | Very high | 90.6 | Very high | 40 Ų | 40 | 87.4 Ų | 87.4 | 21% | 0.214 | 45% | 0.452 | C | S | . | . | trans | -96.9 | 110.7 | 178.9 | -174.9 | -61.9 | 0 | 0 | 0 | 111.1 | V82 Q88 L89 R90 | V82-N86 WeakPolarHBondContact O-CB 3.4Å; V82-N86 PolarHBondContact O-N 2.62Å; N86-Q88 VanDerWaalsContact C-N 3.31Å; N86-Q88 PolarHBondContact O-N 3.08Å; N86-Q88 WeakPolarHBondContact OD1-CA 3.47Å; N86-Q88 WeakPolarHBondContact OD1-CB 3.47Å; N86-Q88 PolarHBondContact OD1-N 2.85Å; N86-L89 HydrophobicContact CB-CB 4.03Å; N86-L89 HydrophobicContact CB-CD1 3.87Å; N86-L89 HydrophobicContact CB-CG 3.94Å; N86-L89 PolarHBondContact O-N 3.24Å; N86-L89 VanDerWaalsContact O-N 3.15Å; N86-L89 PolarHBondContact OD1-N 3.06Å; N86-R90 WeakPolarHBondContact O-CG 3.32Å; N86-R90 PolarHBondContact O-N 3.07Å | ||
| 87 | E | 90.8 | Very high | 88.6 | Confident | 133 Ų | 133 | 84.9 Ų | 84.9 | 62% | 0.621 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -54.3 | -43.6 | -179.2 | -171 | -173.7 | 172.5 | 0 | 0 | 113.3 | L89 R90 Q91 | E87-L89 PolarHBondContact O-N 3.4Å; E87-R90 WeakPolarHBondContact O-CB 3.35Å; E87-R90 PolarHBondContact O-N 3.48Å; E87-Q91 WeakPolarHBondContact O-CG 3.47Å; E87-Q91 PolarHBondContact O-N 3.16Å; E87-Q91 PolarHBondContact OE1-NE2 3.45Å |
| 88 | Q | 89.1 | Confident | 86.6 | Confident | 150 Ų | 150 | 85.9 Ų | 85.9 | 70% | 0.701 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -65.1 | -40.2 | -179 | -56.1 | 178.5 | -75.2 | 0 | 0 | 111.3 | N86 Q91 L92 | N86-Q88 VanDerWaalsContact C-N 3.31Å; N86-Q88 PolarHBondContact O-N 3.08Å; N86-Q88 WeakPolarHBondContact OD1-CA 3.47Å; N86-Q88 WeakPolarHBondContact OD1-CB 3.47Å; N86-Q88 PolarHBondContact OD1-N 2.85Å; Q88-Q91 PolarHBondContact O-N 2.89Å; Q88-L92 VanDerWaalsContact O-CB 3.28Å; Q88-L92 WeakPolarHBondContact O-CB 3.1Å; Q88-L92 PolarHBondContact O-N 3.37Å |
| 89 | L | 91 | Very high | 84.4 | Confident | 6 Ų | 6 | 90.8 Ų | 90.8 | 3% | 0.031 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -66.9 | -40.5 | 174.7 | -65.6 | -178.1 | 0 | 0 | 0 | 111.5 | I58 V82 V83 N86 E87 Q91 L92 F93 | I58-L89 HydrophobicContact CD1-CD2 4.1Å; I58-L89 HydrophobicContact CG1-CD1 3.88Å; I58-L89 HydrophobicContact CG1-CD2 4.01Å; V82-L89 HydrophobicContact CG1-CD1 3.93Å; V83-L89 HydrophobicContact CG1-CB 4.5Å; V83-L89 HydrophobicContact CG2-CD1 4.46Å; N86-L89 HydrophobicContact CB-CB 4.03Å; N86-L89 HydrophobicContact CB-CD1 3.87Å; N86-L89 HydrophobicContact CB-CG 3.94Å; N86-L89 PolarHBondContact O-N 3.24Å; N86-L89 VanDerWaalsContact O-N 3.15Å; N86-L89 PolarHBondContact OD1-N 3.06Å; E87-L89 PolarHBondContact O-N 3.4Å; L89-Q91 VanDerWaalsContact C-N 3.32Å; L89-Q91 PolarHBondContact O-N 3.27Å; L89-L92 HydrophobicContact CD2-CD2 4.36Å; L89-L92 PolarHBondContact O-N 3.46Å; L89-F93 HydrophobicContact CB-CD2 4.38Å; L89-F93 HydrophobicContact CB-CE2 4.43Å; L89-F93 HydrophobicContact CD2-CE2 4.36Å; L89-F93 WeakPolarHBondContact O-CD2 3.33Å; L89-F93 PolarHBondContact O-N 2.83Å |
| 90 | R | 89.8 | Confident | 82.5 | Confident | 152 Ų | 152 | 94.8 Ų | 94.8 | 57% | 0.574 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.1 | -44.3 | 174.9 | -62.9 | 174.1 | 78.3 | 179.5 | -9 | 111.8 | V83 Q84 N86 E87 F93 K94 | V83-R90 WeakPolarHBondContact O-CG 3.5Å; Q84-R90 VanDerWaalsContact O-CD 3.23Å; Q84-R90 WeakPolarHBondContact O-CD 3.5Å; N86-R90 WeakPolarHBondContact O-CG 3.32Å; N86-R90 PolarHBondContact O-N 3.07Å; E87-R90 WeakPolarHBondContact O-CB 3.35Å; E87-R90 PolarHBondContact O-N 3.48Å; R90-F93 PolarHBondContact O-N 3.22Å; R90-K94 WeakPolarHBondContact O-CB 3.43Å; R90-K94 PolarHBondContact O-N 3.44Å |
| 91 | Q | 89.3 | Confident | 80.3 | Confident | 114 Ų | 114 | 95.8 Ų | 95.8 | 53% | 0.533 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | 177.8 | -70 | -179.4 | 20.5 | 0 | 0 | 110.6 | E87 Q88 L89 F93 K94 | E87-Q91 WeakPolarHBondContact O-CG 3.47Å; E87-Q91 PolarHBondContact O-N 3.16Å; E87-Q91 PolarHBondContact OE1-NE2 3.45Å; Q88-Q91 PolarHBondContact O-N 2.89Å; L89-Q91 VanDerWaalsContact C-N 3.32Å; L89-Q91 PolarHBondContact O-N 3.27Å; Q91-F93 VanDerWaalsContact C-N 3.34Å; Q91-F93 PolarHBondContact O-N 2.86Å; Q91-K94 WeakPolarHBondContact O-CB 3.33Å; Q91-K94 PolarHBondContact O-N 3.43Å |
| 92 | L | 88.6 | Confident | 78.3 | Confident | 92 Ų | 92 | 101.1 Ų | 101.1 | 48% | 0.482 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60 | -41.2 | 176.9 | -179.6 | 64.8 | 0 | 0 | 0 | 112.6 | L54 Q88 L89 | L54-L92 HydrophobicContact CD1-CD2 4.27Å; Q88-L92 VanDerWaalsContact O-CB 3.28Å; Q88-L92 WeakPolarHBondContact O-CB 3.1Å; Q88-L92 PolarHBondContact O-N 3.37Å; L89-L92 HydrophobicContact CD2-CD2 4.36Å; L89-L92 PolarHBondContact O-N 3.46Å |
| 93 | F | 88 | Confident | 76.3 | Confident | 117 Ų | 117 | 108.5 Ų | 108.5 | 51% | 0.513 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.6 | 2.8 | -180 | -66.9 | -62.9 | 0 | 0 | 0 | 113.9 | I58 V83 L89 R90 Q91 | I58-F93 HydrophobicContact CD1-CE2 4.02Å; I58-F93 HydrophobicContact CD1-CZ 3.96Å; V83-F93 HydrophobicContact CG1-CD2 3.73Å; V83-F93 HydrophobicContact CG1-CE2 4.43Å; V83-F93 HydrophobicContact CG2-CD2 4.05Å; V83-F93 HydrophobicContact CG2-CE2 3.92Å; L89-F93 HydrophobicContact CB-CD2 4.38Å; L89-F93 HydrophobicContact CB-CE2 4.43Å; L89-F93 HydrophobicContact CD2-CE2 4.36Å; L89-F93 WeakPolarHBondContact O-CD2 3.33Å; L89-F93 PolarHBondContact O-N 2.83Å; R90-F93 PolarHBondContact O-N 3.22Å; Q91-F93 VanDerWaalsContact C-N 3.34Å; Q91-F93 PolarHBondContact O-N 2.86Å |
| 94 | K | 86.2 | Confident | 73.9 | Confident | 143 Ų | 143 | 115.5 Ų | 115.5 | 62% | 0.622 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -65.3 | 132.7 | 176.6 | -168.7 | 179.5 | 177.4 | -174.6 | 0 | 109 | R90 Q91 G96 G97 | R90-K94 WeakPolarHBondContact O-CB 3.43Å; R90-K94 PolarHBondContact O-N 3.44Å; Q91-K94 WeakPolarHBondContact O-CB 3.33Å; Q91-K94 PolarHBondContact O-N 3.43Å; K94-G96 PolarHBondContact O-N 3.23Å; K94-G97 PolarHBondContact O-N 2.89Å |
| 95 | P | 79.3 | Confident | 71.4 | Confident | 125 Ų | 125 | 121.3 Ų | 121.3 | 81% | 0.812 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | 127.2 | 174.4 | 23.6 | -32.7 | 0 | 0 | 0 | 109.9 | ||
| 96 | G | 71.9 | Confident | 70.4 | Confident | 72 Ų | 72 | 121.6 Ų | 121.6 | 74% | 0.742 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 99.2 | 20.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | K94 T98 | K94-G96 PolarHBondContact O-N 3.23Å; G96-T98 PolarHBondContact O-N 3.31Å |
| 97 | G | 55.3 | Low | 69.2 | Low | 49 Ų | 49 | 125.8 Ų | 125.8 | 51% | 0.505 | 68% | 0.684 | S | S | . | * | trans | -42.2 | 126.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | K94 | K94-G97 PolarHBondContact O-N 2.89Š| ||
| 98 | T | 53.5 | Low | 68 | Low | 134 Ų | 134 | 125.4 Ų | 125.4 | 82% | 0.822 | 69% | 0.688 | S | S | * | * | trans | 119.1 | 18 | 179.4 | 64.6 | 0 | 0 | 0 | 0 | 118.3 | G96 V100 | G96-T98 PolarHBondContact O-N 3.31Å; T98-V100 PolarHBondContact O-N 2.95Å | ||
| 99 | S | 49 | Very low | 66.8 | Low | 104 Ų | 104 | 124 Ų | 124 | 73% | 0.727 | 69% | 0.687 | S | S | * | * | trans | -81.3 | 63.5 | 155 | 71.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 100 | V | 54.2 | Low | 65.3 | Low | 131 Ų | 131 | 131.4 Ų | 131.4 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | trans | -81.7 | 7.4 | 162.8 | -176 | 0 | 0 | 0 | 0 | 110.3 | T98 | T98-V100 PolarHBondContact O-N 2.95Š| ||
| 101 | N | 48.8 | Very low | 63.6 | Low | 130 Ų | 130 | 130 Ų | 130 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -137.3 | 107.2 | 174.9 | -48.4 | -76.2 | 0 | 0 | 0 | 107.2 | ||
| 102 | E | 54.3 | Low | 61.8 | Low | 183 Ų | 183 | 131.1 Ų | 131.1 | 86% | 0.855 | 75% | 0.753 | S | S | * | * | S | Bend | trans | 179.1 | -6.3 | 137.4 | -100.5 | 169.7 | 179.2 | 0 | 0 | 115.3 | ||
| 103 | D | 51.6 | Low | 59.7 | Low | 164 Ų | 164 | 134.2 Ų | 134.2 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | trans | -94.9 | 6.8 | -178.6 | -63.4 | -32.4 | 0 | 0 | 0 | 115.4 | N105 | D103-N105 PolarHBondContact O-N 3.37Š| ||
| 104 | D | 43.4 | Very low | 57.4 | Low | 175 Ų | 175 | 135.6 Ų | 135.6 | 94% | 0.936 | 80% | 0.796 | S | S | * | * | trans | -91.7 | 64.6 | 170.7 | -72.2 | -36.6 | 0 | 0 | 0 | 111.3 | ||||
| 105 | N | 41.3 | Very low | 54.8 | Low | 217 Ų | 217 | 134.9 Ų | 134.9 | 100% | 1.16 | 81% | 0.811 | S | S | * | * | trans | -160.1 | 0 | 157.2 | 176.3 | 97.3 | 0 | 0 | 0 | 111.9 | D103 | D103-N105 PolarHBondContact O-N 3.37Š|
Retrieved 105 of 105 residues in 126.9 ms
(Link to these results)