| 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 | 83.6 | Confident | 240 Ų | 240 | 65.9 Ų | 65.9 | 100% | 1.182 | 37% | 0.373 | S | S | * | . | 0 | 142.5 | 0 | -78.7 | -169.8 | -95.1 | 0 | 0 | 108.9 | A3 | M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 3.2Å; M1-A3 VanDerWaalsContact O-N 3.15Å | |||
| 2 | A | 78.9 | Confident | 84.7 | Confident | 17 Ų | 17 | 60.4 Ų | 60.4 | 14% | 0.14 | 34% | 0.342 | C | S | . | . | trans | -87.9 | 74.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | H4 L5 R16 | A2-H4 PolarHBondContact O-N 3.08Å; A2-H4 VanDerWaalsContact O-N 3.12Å; A2-L5 HydrophobicContact CB-CD1 4.26Å; A2-L5 HydrophobicContact CB-CG 4.21Å; A2-L5 PolarHBondContact O-N 2.67Å; A2-R16 VanDerWaalsContact CB-CZ 3.5Å | ||
| 3 | A | 84.6 | Confident | 85.5 | Confident | 69 Ų | 69 | 58.8 Ų | 58.8 | 57% | 0.57 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -56.9 | -28.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | M1 L5 S6 | M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 3.2Å; M1-A3 VanDerWaalsContact O-N 3.15Å; A3-L5 PolarHBondContact O-N 2.87Å; A3-S6 PolarHBondContact O-N 2.98Å; A3-S6 PolarHBondContact O-OG 2.92Å |
| 4 | H | 91 | Very high | 86.3 | Confident | 30 Ų | 30 | 58.9 Ų | 58.9 | 14% | 0.139 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -61.1 | -21.7 | 174.8 | 68.9 | -92 | 0 | 0 | 0 | 113.6 | A2 S6 Y7 D148 G149 A292 | A2-H4 PolarHBondContact O-N 3.08Å; A2-H4 VanDerWaalsContact O-N 3.12Å; H4-S6 VanDerWaalsContact C-N 3.3Å; H4-S6 PolarHBondContact O-N 3.11Å; H4-Y7 WeakPolarHBondContact O-CD1 3.49Å; H4-Y7 WeakPolarHBondContact O-CE1 3.19Å; H4-D148 IonicContact CD2-OD1 2.84Å; H4-G149 WeakPolarHBondContact O-CA 3.27Å; H4-G149 PolarHBondContact O-N 2.94Å; H4-A292 HydrophobicContact CB-CB 4.17Å |
| 5 | L | 93.8 | Very high | 87 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -88.5 | 4.3 | 176.1 | -60.7 | -173.4 | 0 | 0 | 0 | 113.9 | A2 A3 L12 N13 R16 P146 | A2-L5 HydrophobicContact CB-CD1 4.26Å; A2-L5 HydrophobicContact CB-CG 4.21Å; A2-L5 PolarHBondContact O-N 2.67Å; A3-L5 PolarHBondContact O-N 2.87Å; L5-L12 PolarHBondContact O-N 3.43Å; L5-N13 HydrophobicContact CB-CB 4.16Å; L5-N13 PolarHBondContact O-N 3.25Å; L5-R16 HydrophobicContact CD1-CB 4.4Å; L5-P146 HydrophobicContact CD1-CB 4.27Å; L5-P146 HydrophobicContact CD1-CG 4.1Å; L5-P146 HydrophobicContact CD2-CB 4Å |
| 6 | S | 89.4 | Confident | 87.5 | Confident | 57 Ų | 57 | 52.9 Ų | 52.9 | 40% | 0.399 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -131.4 | 7.3 | -172.6 | 54.5 | 0 | 0 | 0 | 0 | 113.9 | A3 H4 | A3-S6 PolarHBondContact O-N 2.98Å; A3-S6 PolarHBondContact O-OG 2.92Å; H4-S6 VanDerWaalsContact C-N 3.3Å; H4-S6 PolarHBondContact O-N 3.11Å |
| 7 | Y | 79.5 | Confident | 88 | Confident | 81 Ų | 81 | 53.3 Ų | 53.3 | 32% | 0.318 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -82.8 | 138 | 169.9 | 74.8 | -93.4 | 0 | 0 | 0 | 109.4 | H4 D148 D150 S291 R300 | H4-Y7 WeakPolarHBondContact O-CD1 3.49Å; H4-Y7 WeakPolarHBondContact O-CE1 3.19Å; Y7-D148 VanDerWaalsContact CE1-OD1 3.25Å; Y7-D148 WeakPolarHBondContact CE1-OD1 3.34Å; Y7-D148 VanDerWaalsContact OH-CG 3.29Å; Y7-D148 PolarHBondContact OH-OD1 2.88Å; Y7-D150 PolarHBondContact OH-OD1 2.65Å; Y7-S291 WeakPolarHBondContact CE1-OG 3.24Å; Y7-S291 PolarHBondContact OH-OG 3.32Å; Y7-S291 VanDerWaalsContact OH-OG 3.07Å; Y7-R300 PolarHBondContact OH-NH2 3.31Å; Y7-R300 VanDerWaalsContact OH-NH2 3.1Å |
| 8 | G | 78.9 | Confident | 88.5 | Confident | 56 Ų | 56 | 51.1 Ų | 51.1 | 58% | 0.577 | 29% | 0.286 | S | S | * | . | S | Bend | trans | 104.6 | -172.5 | -176 | 0 | 0 | 0 | 0 | 0 | 113.5 | V10 | G8-V10 VanDerWaalsContact C-N 3.32Š|
| 9 | R | 83.1 | Confident | 88.9 | Confident | 101 Ų | 101 | 48.7 Ų | 48.7 | 38% | 0.381 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -78.2 | -16.2 | -179.4 | -74.1 | 179.1 | -171 | -137.1 | -3.7 | 113.9 | N542 V544 E573 | R9-N542 PolarHBondContact NH1-O 2.8Å; R9-V544 HydrophobicContact CB-CG2 3.92Å; R9-V544 HydrophobicContact CG-CG2 4.41Å; R9-E573 WeakPolarHBondContact CD-OE2 3.23Å; R9-E573 WeakPolarHBondContact CG-OE2 3.36Å; R9-E573 PolarHBondContact N-OE1 2.96Å; R9-E573 IonicContact NE-OE2 3.7Å; R9-E573 PolarHBondContact NE-OE2 3.46Å |
| 10 | V | 92.3 | Very high | 89.3 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -114 | 122.4 | -178.2 | -169.3 | 0 | 0 | 0 | 0 | 109.7 | G8 L12 Y186 V223 F224 V544 V575 | G8-V10 VanDerWaalsContact C-N 3.32Å; V10-L12 HydrophobicContact CG1-CD2 3.7Å; V10-L12 HydrophobicContact CG1-CG 4.3Å; V10-L12 PolarHBondContact O-N 3.45Å; V10-Y186 HydrophobicContact CG1-CD1 4.09Å; V10-Y186 HydrophobicContact CG1-CE1 3.83Å; V10-V223 HydrophobicContact CG1-CG1 4.49Å; V10-V223 HydrophobicContact CG2-CG1 3.8Å; V10-F224 HydrophobicContact CB-CZ 4.49Å; V10-F224 HydrophobicContact CG1-CE1 4.37Å; V10-F224 HydrophobicContact CG1-CE2 4.37Å; V10-F224 HydrophobicContact CG1-CZ 3.76Å; V10-F224 HydrophobicContact CG2-CD1 4.45Å; V10-F224 HydrophobicContact CG2-CE1 3.78Å; V10-F224 HydrophobicContact CG2-CZ 4.02Å; V10-V544 HydrophobicContact CG2-CG1 3.82Å; V10-V575 HydrophobicContact CB-CG2 4.32Å; V10-V575 HydrophobicContact CG2-CG2 3.79Å |
| 11 | N | 95.2 | Very high | 89.6 | Confident | 70 Ų | 70 | 52.1 Ų | 52.1 | 37% | 0.374 | 28% | 0.278 | S | S | . | . | trans | -87.6 | 94.1 | 173.6 | -174.4 | -5.5 | 0 | 0 | 0 | 110.3 | N13 V14 Y186 | N11-N13 PolarHBondContact O-N 3.13Å; N11-N13 WeakPolarHBondContact OD1-CB 3.15Å; N11-N13 PolarHBondContact OD1-N 3.39Å; N11-N13 VanDerWaalsContact OD1-N 3.13Å; N11-V14 HydrophobicContact CB-CG2 4.29Å; N11-V14 WeakPolarHBondContact O-CG2 3.32Å; N11-V14 PolarHBondContact O-N 3.2Å; N11-Y186 WeakPolarHBondContact O-CE1 3.41Å; N11-Y186 PolarHBondContact O-OH 2.69Å | ||
| 12 | L | 96.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -11.5 | 179 | -65 | -175.2 | 0 | 0 | 0 | 113.6 | L5 V10 V14 L15 R16 P146 D148 G149 L152 Y186 V575 | L5-L12 PolarHBondContact O-N 3.43Å; V10-L12 HydrophobicContact CG1-CD2 3.7Å; V10-L12 HydrophobicContact CG1-CG 4.3Å; V10-L12 PolarHBondContact O-N 3.45Å; L12-V14 PolarHBondContact O-N 2.7Å; L12-L15 PolarHBondContact O-N 3.3Å; L12-R16 PolarHBondContact O-N 2.96Å; L12-P146 HydrophobicContact CB-CB 4.17Å; L12-D148 VanDerWaalsContact CD1-O 3.32Å; L12-D148 WeakPolarHBondContact CD1-O 3.15Å; L12-G149 WeakPolarHBondContact CD1-O 3.44Å; L12-L152 HydrophobicContact CD1-CD2 3.9Å; L12-L152 HydrophobicContact CD1-CG 4.02Å; L12-L152 HydrophobicContact CD2-CD1 4.22Å; L12-L152 HydrophobicContact CD2-CD2 4.13Å; L12-L152 HydrophobicContact CD2-CG 4.4Å; L12-L152 HydrophobicContact CG-CD2 4.5Å; L12-Y186 WeakPolarHBondContact CA-OH 3.21Å; L12-V575 HydrophobicContact CD1-CG1 4.49Å |
| 13 | N | 95.7 | Very high | 92.5 | Very high | 40 Ų | 40 | 42.7 Ų | 42.7 | 21% | 0.214 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.7 | -26.9 | 170 | -170 | 66.5 | 0 | 0 | 0 | 112.3 | L5 N11 R16 E17 | L5-N13 HydrophobicContact CB-CB 4.16Å; L5-N13 PolarHBondContact O-N 3.25Å; N11-N13 PolarHBondContact O-N 3.13Å; N11-N13 WeakPolarHBondContact OD1-CB 3.15Å; N11-N13 PolarHBondContact OD1-N 3.39Å; N11-N13 VanDerWaalsContact OD1-N 3.13Å; N13-R16 PolarHBondContact O-N 3.39Å; N13-R16 VanDerWaalsContact OD1-CZ 3.29Å; N13-R16 PolarHBondContact OD1-NE 3.48Å; N13-R16 PolarHBondContact OD1-NH2 3.44Å; N13-E17 WeakPolarHBondContact O-CG 3.37Å; N13-E17 PolarHBondContact O-N 2.94Å |
| 14 | V | 96.1 | Very high | 93.1 | Very high | 60 Ų | 60 | 43.1 Ų | 43.1 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.5 | -45.5 | 176 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | N11 L12 E17 A18 L185 Y186 | N11-V14 HydrophobicContact CB-CG2 4.29Å; N11-V14 WeakPolarHBondContact O-CG2 3.32Å; N11-V14 PolarHBondContact O-N 3.2Å; L12-V14 PolarHBondContact O-N 2.7Å; V14-E17 PolarHBondContact O-N 3.01Å; V14-A18 PolarHBondContact O-N 3.24Å; V14-L185 HydrophobicContact CG1-CB 4.46Å; V14-L185 HydrophobicContact CG1-CD2 4.22Å; V14-Y186 HydrophobicContact CB-CE1 4.32Å |
| 15 | L | 96.8 | Very high | 93.4 | Very high | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.8 | -48.2 | 174.1 | 176.4 | 64.7 | 0 | 0 | 0 | 111.1 | L12 E17 A18 V19 L144 L152 T181 L182 L185 Y186 | L12-L15 PolarHBondContact O-N 3.3Å; L15-E17 VanDerWaalsContact C-N 3.33Å; L15-E17 PolarHBondContact O-N 3.35Å; L15-A18 PolarHBondContact O-N 2.68Å; L15-V19 HydrophobicContact CD1-CG2 4.13Å; L15-V19 WeakPolarHBondContact O-CG2 3.34Å; L15-V19 PolarHBondContact O-N 2.79Å; L15-V19 VanDerWaalsContact O-N 3.07Å; L15-L144 HydrophobicContact CD2-CB 4.2Å; L15-L152 HydrophobicContact CD2-CD2 3.62Å; L15-T181 HydrophobicContact CD1-CG2 3.94Å; L15-L182 HydrophobicContact CD2-CD2 4.07Å; L15-L185 HydrophobicContact CB-CD1 4.11Å; L15-L185 HydrophobicContact CD1-CD1 3.73Å; L15-Y186 PolarHBondContact N-OH 2.88Å |
| 16 | R | 96.1 | Very high | 93.6 | Very high | 18 Ų | 18 | 47.2 Ų | 47.2 | 7% | 0.068 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.2 | -43.6 | -179.8 | -169.3 | 178.6 | 66.6 | -178.4 | -1.5 | 112.5 | A2 L5 L12 N13 V19 R20 I49 P146 | A2-R16 VanDerWaalsContact CB-CZ 3.5Å; L5-R16 HydrophobicContact CD1-CB 4.4Å; L12-R16 PolarHBondContact O-N 2.96Å; N13-R16 PolarHBondContact O-N 3.39Å; N13-R16 VanDerWaalsContact OD1-CZ 3.29Å; N13-R16 PolarHBondContact OD1-NE 3.48Å; N13-R16 PolarHBondContact OD1-NH2 3.44Å; R16-V19 PolarHBondContact O-N 2.86Å; R16-R20 HydrophobicContact CG-CG 4.49Å; R16-R20 WeakPolarHBondContact O-CB 3.28Å; R16-R20 VanDerWaalsContact O-CG 3.28Å; R16-R20 WeakPolarHBondContact O-CG 3.46Å; R16-R20 PolarHBondContact O-N 3.47Å; R16-I49 HydrophobicContact CG-CD1 4.21Å; R16-P146 HydrophobicContact CB-CG 3.96Å |
| 17 | E | 96 | Very high | 94 | Very high | 60 Ų | 60 | 44.5 Ų | 44.5 | 28% | 0.28 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -70 | -33.5 | 179.3 | -66.7 | -53.5 | 133.6 | 0 | 0 | 112.6 | N13 V14 L15 R20 R21 | N13-E17 WeakPolarHBondContact O-CG 3.37Å; N13-E17 PolarHBondContact O-N 2.94Å; V14-E17 PolarHBondContact O-N 3.01Å; L15-E17 VanDerWaalsContact C-N 3.33Å; L15-E17 PolarHBondContact O-N 3.35Å; E17-R20 IonicContact OE1-CZ 2.86Å; E17-R20 IonicContact OE1-NE 3.36Å; E17-R20 IonicContact OE1-NH1 3.54Å; E17-R20 PolarHBondContact OE1-NH1 3.24Å; E17-R21 WeakPolarHBondContact O-CB 3.35Å; E17-R21 PolarHBondContact O-N 2.99Å |
| 18 | A | 96.2 | Very high | 94.8 | Very high | 13 Ų | 13 | 45.2 Ų | 45.2 | 11% | 0.107 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.7 | -45.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V14 L15 R21 E22 L185 | V14-A18 PolarHBondContact O-N 3.24Å; L15-A18 PolarHBondContact O-N 2.68Å; A18-R21 WeakPolarHBondContact O-CB 3.27Å; A18-R21 PolarHBondContact O-N 3.39Å; A18-E22 PolarHBondContact O-N 3.27Å; A18-L185 HydrophobicContact CB-CD1 4.28Å; A18-L185 HydrophobicContact CB-CD2 4.2Å |
| 19 | V | 96 | Very high | 95.7 | Very high | 7 Ų | 7 | 47.4 Ų | 47.4 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -72.9 | -38.1 | -179.6 | -178.9 | 0 | 0 | 0 | 0 | 111 | L15 R16 R21 E22 L23 I49 Y140 L142 | L15-V19 HydrophobicContact CD1-CG2 4.13Å; L15-V19 WeakPolarHBondContact O-CG2 3.34Å; L15-V19 PolarHBondContact O-N 2.79Å; L15-V19 VanDerWaalsContact O-N 3.07Å; R16-V19 PolarHBondContact O-N 2.86Å; V19-R21 VanDerWaalsContact C-N 3.29Å; V19-R21 PolarHBondContact O-N 3.14Å; V19-E22 PolarHBondContact O-N 2.95Å; V19-L23 PolarHBondContact O-N 3.47Å; V19-L23 VanDerWaalsContact O-N 3.12Å; V19-I49 HydrophobicContact CG1-CG2 4.33Å; V19-Y140 HydrophobicContact CG1-CE1 4.08Å; V19-Y140 HydrophobicContact CG1-CE2 3.85Å; V19-Y140 WeakPolarHBondContact CG1-OH 3.23Å; V19-Y140 VanDerWaalsContact O-CE2 3.29Å; V19-Y140 WeakPolarHBondContact O-CE2 3.32Å; V19-Y140 PolarHBondContact O-OH 3.49Å; V19-Y140 VanDerWaalsContact O-OH 3.08Å; V19-L142 HydrophobicContact CG1-CD1 3.46Å; V19-L142 VanDerWaalsContact CG1-CD1 3.46Å |
| 20 | R | 96.7 | Very high | 96.4 | Very high | 30 Ų | 30 | 42.7 Ų | 42.7 | 11% | 0.113 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.6 | -40.5 | 169.9 | -78.9 | 173.8 | 172.5 | -177.5 | -7.1 | 112.8 | R16 E17 L23 R24 I49 L54 | R16-R20 HydrophobicContact CG-CG 4.49Å; R16-R20 WeakPolarHBondContact O-CB 3.28Å; R16-R20 VanDerWaalsContact O-CG 3.28Å; R16-R20 WeakPolarHBondContact O-CG 3.46Å; R16-R20 PolarHBondContact O-N 3.47Å; E17-R20 IonicContact OE1-CZ 2.86Å; E17-R20 IonicContact OE1-NE 3.36Å; E17-R20 IonicContact OE1-NH1 3.54Å; E17-R20 PolarHBondContact OE1-NH1 3.24Å; R20-L23 PolarHBondContact O-N 3.46Å; R20-R24 VanDerWaalsContact O-CG 3.29Å; R20-R24 WeakPolarHBondContact O-CG 3.28Å; R20-R24 PolarHBondContact O-N 3.1Å; R20-I49 HydrophobicContact CG-CG2 4.04Å; R20-I49 PolarHBondContact NE-O 3.46Å; R20-I49 PolarHBondContact NH2-O 3.04Å; R20-L54 HydrophobicContact CB-CD1 4.28Å; R20-L54 HydrophobicContact CG-CD1 3.86Å |
| 21 | R | 96.7 | Very high | 96.5 | Very high | 138 Ų | 138 | 45.3 Ų | 45.3 | 52% | 0.521 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.1 | -46.5 | 178.8 | -179 | -178.8 | 61.1 | -111.6 | -5.1 | 111.2 | E17 A18 V19 L23 R24 E25 | E17-R21 WeakPolarHBondContact O-CB 3.35Å; E17-R21 PolarHBondContact O-N 2.99Å; A18-R21 WeakPolarHBondContact O-CB 3.27Å; A18-R21 PolarHBondContact O-N 3.39Å; V19-R21 VanDerWaalsContact C-N 3.29Å; V19-R21 PolarHBondContact O-N 3.14Å; R21-L23 VanDerWaalsContact C-N 3.29Å; R21-L23 PolarHBondContact O-N 2.91Å; R21-R24 PolarHBondContact O-N 2.95Å; R21-E25 WeakPolarHBondContact CG-OE1 3.37Å; R21-E25 WeakPolarHBondContact O-CG 3.48Å; R21-E25 PolarHBondContact O-N 2.99Å |
| 22 | E | 96.2 | Very high | 96.5 | Very high | 60 Ų | 60 | 43 Ų | 43 | 28% | 0.28 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.8 | -41 | 176 | -174.6 | -175.2 | 164.3 | 0 | 0 | 111.7 | A18 V19 E25 F26 Y140 S141 | A18-E22 PolarHBondContact O-N 3.27Å; V19-E22 PolarHBondContact O-N 2.95Å; E22-E25 PolarHBondContact O-N 3.04Å; E22-F26 PolarHBondContact O-N 3.33Å; E22-F26 VanDerWaalsContact O-N 3.1Å; E22-Y140 HydrophobicContact CB-CD2 4.26Å; E22-Y140 HydrophobicContact CB-CE2 4Å; E22-Y140 HydrophobicContact CG-CD2 3.84Å; E22-Y140 HydrophobicContact CG-CE2 4.11Å; E22-Y140 WeakPolarHBondContact OE1-CA 3.29Å; E22-S141 PolarHBondContact OE1-N 2.86Å |
| 23 | L | 96.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.1 | -44.4 | 176.2 | 179.6 | 59.2 | 0 | 0 | 0 | 112.3 | V19 R20 R21 F26 L27 F46 A50 L54 L55 F82 L112 Y140 | V19-L23 PolarHBondContact O-N 3.47Å; V19-L23 VanDerWaalsContact O-N 3.12Å; R20-L23 PolarHBondContact O-N 3.46Å; R21-L23 VanDerWaalsContact C-N 3.29Å; R21-L23 PolarHBondContact O-N 2.91Å; L23-F26 PolarHBondContact O-N 2.9Å; L23-L27 HydrophobicContact CD1-CD1 4.25Å; L23-L27 HydrophobicContact CD1-CG 4.26Å; L23-L27 HydrophobicContact CG-CD1 4.09Å; L23-L27 WeakPolarHBondContact O-CG 3.47Å; L23-L27 PolarHBondContact O-N 2.97Å; L23-F46 HydrophobicContact CD1-CE1 4.31Å; L23-F46 HydrophobicContact CD2-CD1 4.45Å; L23-F46 HydrophobicContact CD2-CE1 4.26Å; L23-A50 HydrophobicContact CD2-CB 3.78Å; L23-L54 HydrophobicContact CD2-CD2 4.3Å; L23-L55 HydrophobicContact CD2-CD2 4.18Å; L23-F82 HydrophobicContact CD1-CE2 3.77Å; L23-F82 HydrophobicContact CD1-CZ 3.87Å; L23-L112 HydrophobicContact CD1-CD2 4.33Å; L23-Y140 HydrophobicContact CB-CE2 3.67Å |
| 24 | R | 97.2 | Very high | 96.7 | Very high | 77 Ų | 77 | 42.5 Ų | 42.5 | 29% | 0.291 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.3 | -48 | 177.6 | -68.7 | -179.3 | 176.7 | 151.6 | -0.3 | 111.2 | R20 R21 F26 L27 D28 L54 H58 | R20-R24 VanDerWaalsContact O-CG 3.29Å; R20-R24 WeakPolarHBondContact O-CG 3.28Å; R20-R24 PolarHBondContact O-N 3.1Å; R21-R24 PolarHBondContact O-N 2.95Å; R24-F26 VanDerWaalsContact C-N 3.26Å; R24-F26 PolarHBondContact O-N 3.31Å; R24-L27 PolarHBondContact O-N 3.44Å; R24-L27 VanDerWaalsContact O-N 3.15Å; R24-D28 WeakPolarHBondContact O-CB 3.41Å; R24-D28 PolarHBondContact O-N 2.94Å; R24-L54 HydrophobicContact CG-CD2 4.44Å; R24-H58 WeakPolarHBondContact CD-NE2 2.87Å; R24-H58 WeakPolarHBondContact CG-NE2 3.37Å |
| 25 | E | 97 | Very high | 96.7 | Very high | 112 Ų | 112 | 39.7 Ų | 39.7 | 52% | 0.523 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -56.6 | -40.2 | 178.1 | -73.6 | 172.2 | -169.1 | 0 | 0 | 111.9 | R21 E22 K29 | R21-E25 WeakPolarHBondContact CG-OE1 3.37Å; R21-E25 WeakPolarHBondContact O-CG 3.48Å; R21-E25 PolarHBondContact O-N 2.99Å; E22-E25 PolarHBondContact O-N 3.04Å; E25-K29 WeakPolarHBondContact O-CG 3.27Å; E25-K29 PolarHBondContact O-N 3.44Å |
| 26 | F | 97.5 | Very high | 96.8 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.8 | -45.7 | 175 | 171.3 | -102.1 | 0 | 0 | 0 | 112.9 | E22 L23 R24 D28 K29 I80 F82 L112 H136 E138 | E22-F26 PolarHBondContact O-N 3.33Å; E22-F26 VanDerWaalsContact O-N 3.1Å; L23-F26 PolarHBondContact O-N 2.9Å; R24-F26 VanDerWaalsContact C-N 3.26Å; R24-F26 PolarHBondContact O-N 3.31Å; F26-D28 VanDerWaalsContact C-N 3.25Å; F26-D28 PolarHBondContact O-N 2.89Å; F26-K29 WeakPolarHBondContact O-CB 3.35Å; F26-K29 PolarHBondContact O-N 2.89Å; F26-K29 VanDerWaalsContact O-N 3.16Å; F26-I80 HydrophobicContact CE1-CG2 3.72Å; F26-I80 HydrophobicContact CZ-CG2 3.85Å; F26-F82 HydrophobicContact CE1-CE1 4.22Å; F26-L112 HydrophobicContact CD1-CB 4.44Å; F26-L112 HydrophobicContact CD1-CD1 3.8Å; F26-L112 HydrophobicContact CD1-CD2 3.64Å; F26-L112 HydrophobicContact CD1-CG 4.16Å; F26-L112 HydrophobicContact CD2-CD1 3.83Å; F26-L112 HydrophobicContact CE1-CB 3.72Å; F26-L112 HydrophobicContact CE1-CD1 3.81Å; F26-L112 HydrophobicContact CE1-CD2 3.69Å; F26-L112 HydrophobicContact CE1-CG 3.94Å; F26-L112 HydrophobicContact CE2-CD1 3.87Å; F26-L112 HydrophobicContact CG-CD1 3.8Å; F26-L112 HydrophobicContact CG-CD2 4.38Å; F26-L112 HydrophobicContact CZ-CB 3.81Å; F26-L112 HydrophobicContact CZ-CD1 3.86Å; F26-L112 HydrophobicContact CZ-CD2 4.5Å; F26-L112 HydrophobicContact CZ-CG 4.26Å; F26-H136 HydrophobicContact CE2-CB 4.33Å; F26-E138 HydrophobicContact CD2-CB 4.04Å; F26-E138 HydrophobicContact CD2-CG 4.24Å; F26-E138 HydrophobicContact CE2-CB 3.96Å; F26-E138 HydrophobicContact CE2-CG 4.16Å |
| 27 | L | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.8 | -39.4 | 178 | -70.3 | 173.9 | 0 | 0 | 0 | 111.1 | L23 R24 K29 C30 K34 I36 L55 H58 V60 I80 F82 | L23-L27 HydrophobicContact CD1-CD1 4.25Å; L23-L27 HydrophobicContact CD1-CG 4.26Å; L23-L27 HydrophobicContact CG-CD1 4.09Å; L23-L27 WeakPolarHBondContact O-CG 3.47Å; L23-L27 PolarHBondContact O-N 2.97Å; R24-L27 PolarHBondContact O-N 3.44Å; R24-L27 VanDerWaalsContact O-N 3.15Å; L27-K29 PolarHBondContact O-N 3.2Å; L27-C30 PolarHBondContact O-N 3.08Å; L27-K34 HydrophobicContact CD2-CD 4.19Å; L27-K34 WeakPolarHBondContact O-CE 2.99Å; L27-I36 HydrophobicContact CD2-CD1 4.47Å; L27-L55 HydrophobicContact CD1-CD2 4.07Å; L27-H58 HydrophobicContact CB-CB 4.01Å; L27-H58 HydrophobicContact CD1-CB 3.91Å; L27-V60 HydrophobicContact CD1-CG2 4.47Å; L27-V60 HydrophobicContact CD2-CG2 4.23Å; L27-I80 HydrophobicContact CD2-CD1 4.07Å; L27-F82 HydrophobicContact CD2-CZ 4.19Å |
| 28 | D | 97 | Very high | 97 | Very high | 95 Ų | 95 | 36.6 Ų | 36.6 | 51% | 0.508 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -67.9 | -21.1 | -179.9 | -68.2 | -20.8 | 0 | 0 | 0 | 113.3 | R24 F26 C30 H58 | R24-D28 WeakPolarHBondContact O-CB 3.41Å; R24-D28 PolarHBondContact O-N 2.94Å; F26-D28 VanDerWaalsContact C-N 3.25Å; F26-D28 PolarHBondContact O-N 2.89Å; D28-C30 VanDerWaalsContact C-N 3.29Å; D28-H58 IonicContact OD1-CE1 4Å; D28-H58 PolarHBondContact OD1-CE1 3.38Å; D28-H58 IonicContact OD1-CG 3.62Å; D28-H58 IonicContact OD1-ND1 3.13Å; D28-H58 PolarHBondContact OD1-ND1 3.44Å; D28-H58 IonicContact OD2-CE1 2.97Å; D28-H58 IonicContact OD2-ND1 2.7Å |
| 29 | K | 97.2 | Very high | 97 | Very high | 103 Ų | 103 | 36.2 Ų | 36.2 | 45% | 0.448 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -68 | -29.2 | 170.1 | -67.1 | 170.2 | -174.7 | 178.9 | 0 | 112.5 | E25 F26 L27 A31 E138 | E25-K29 WeakPolarHBondContact O-CG 3.27Å; E25-K29 PolarHBondContact O-N 3.44Å; F26-K29 WeakPolarHBondContact O-CB 3.35Å; F26-K29 PolarHBondContact O-N 2.89Å; F26-K29 VanDerWaalsContact O-N 3.16Å; L27-K29 PolarHBondContact O-N 3.2Å; K29-A31 PolarHBondContact O-N 3.06Å; K29-E138 WeakPolarHBondContact CD-OE1 3.25Å; K29-E138 IonicContact NZ-OE1 3.2Å; K29-E138 PolarHBondContact NZ-OE1 3.37Å; K29-E138 IonicContact NZ-OE2 3.45Å; K29-E138 PolarHBondContact NZ-OE2 2.88Å |
| 30 | C | 96.8 | Very high | 97 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.007 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -90.3 | 71.4 | -177.1 | -54.4 | 0 | 0 | 0 | 0 | 110.6 | L27 D28 G32 K34 N78 I80 | L27-C30 PolarHBondContact O-N 3.08Å; D28-C30 VanDerWaalsContact C-N 3.29Å; C30-G32 PolarHBondContact O-N 3.15Å; C30-K34 HydrophobicContact CB-CD 4.44Å; C30-K34 WeakPolarHBondContact O-CE 3.34Å; C30-K34 PolarHBondContact O-NZ 3.41Å; C30-K34 VanDerWaalsContact O-NZ 3.15Å; C30-N78 HydrophobicContact CB-CB 4.41Å; C30-N78 PolarHBondContact O-ND2 3.41Å; C30-I80 HydrophobicContact CB-CD1 3.9Å |
| 31 | A | 94.6 | Very high | 97 | Very high | 59 Ų | 59 | 42.9 Ų | 42.9 | 49% | 0.488 | 21% | 0.21 | S | C | . | . | trans | -60.1 | 131 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | K29 K77 N78 | K29-A31 PolarHBondContact O-N 3.06Å; A31-K77 PolarHBondContact O-NZ 2.95Å; A31-N78 PolarHBondContact O-ND2 2.8Å | ||
| 32 | G | 95.7 | Very high | 96.9 | Very high | 22 Ų | 22 | 36.6 Ų | 36.6 | 23% | 0.227 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 99.9 | -174.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | C30 K34 E59 N78 | C30-G32 PolarHBondContact O-N 3.15Å; G32-K34 WeakPolarHBondContact O-CG 3.21Å; G32-K34 PolarHBondContact O-NZ 2.84Å; G32-E59 VanDerWaalsContact C-OE2 3.31Å; G32-E59 WeakPolarHBondContact CA-OE2 3.38Å; G32-E59 PolarHBondContact N-OE2 3.14Å; G32-E59 VanDerWaalsContact O-OE2 3.05Å; G32-N78 PolarHBondContact O-ND2 2.83Å |
| 33 | S | 97.4 | Very high | 96.9 | Very high | 28 Ų | 28 | 37 Ų | 37 | 20% | 0.196 | 19% | 0.193 | C | C | . | . | trans | -57.9 | 140.1 | -178.3 | 56.3 | 0 | 0 | 0 | 0 | 112.4 | E61 V76 K77 N78 | S33-E61 WeakPolarHBondContact CB-OE1 3.4Å; S33-V76 WeakPolarHBondContact OG-CA 3.45Å; S33-K77 PolarHBondContact O-N 3.19Å; S33-K77 PolarHBondContact OG-N 3.45Å; S33-K77 VanDerWaalsContact OG-N 3.13Å; S33-N78 PolarHBondContact O-N 2.91Å; S33-N78 PolarHBondContact O-ND2 2.83Å; S33-N78 VanDerWaalsContact O-ND2 3.08Å | ||
| 34 | K | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 143.1 | -172.5 | -45.9 | 171 | -175.2 | 52.6 | 0 | 110.9 | L27 C30 G32 H58 E59 V60 E61 N78 I80 | L27-K34 HydrophobicContact CD2-CD 4.19Å; L27-K34 WeakPolarHBondContact O-CE 2.99Å; C30-K34 HydrophobicContact CB-CD 4.44Å; C30-K34 WeakPolarHBondContact O-CE 3.34Å; C30-K34 PolarHBondContact O-NZ 3.41Å; C30-K34 VanDerWaalsContact O-NZ 3.15Å; G32-K34 WeakPolarHBondContact O-CG 3.21Å; G32-K34 PolarHBondContact O-NZ 2.84Å; K34-H58 WeakPolarHBondContact CD-O 3.26Å; K34-H58 WeakPolarHBondContact CE-O 3.2Å; K34-H58 PolarHBondContact NZ-O 3.18Å; K34-E59 PolarHBondContact N-O 2.88Å; K34-E59 IonicContact NZ-OE2 3.73Å; K34-E59 PolarHBondContact NZ-OE2 3.28Å; K34-V60 HydrophobicContact CB-CG2 4.28Å; K34-V60 HydrophobicContact CD-CG2 4.23Å; K34-E61 PolarHBondContact O-N 2.86Å; K34-N78 CarbonylContact C-O 3.08Å; K34-N78 WeakPolarHBondContact CA-O 3.39Å; K34-N78 HydrophobicContact CB-CB 4.48Å; K34-N78 HydrophobicContact CG-CB 4.23Å; K34-I80 HydrophobicContact CB-CD1 4.3Å; K34-I80 HydrophobicContact CD-CD1 3.98Å; K34-I80 HydrophobicContact CG-CD1 4.33Å |
| 35 | A | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 135.9 | 156.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | K62 F64 V76 N78 I79 I80 | A35-K62 VanDerWaalsContact CA-O 3.25Å; A35-K62 WeakPolarHBondContact CA-O 3.42Å; A35-K62 HydrophobicContact CB-CB 3.89Å; A35-F64 HydrophobicContact CB-CD2 4.19Å; A35-F64 HydrophobicContact CB-CE2 3.71Å; A35-V76 HydrophobicContact CB-CG1 4.42Å; A35-V76 HydrophobicContact CB-CG2 3.73Å; A35-N78 PolarHBondContact N-O 2.96Å; A35-I79 HydrophobicContact CB-CD1 3.88Å; A35-I80 PolarHBondContact O-N 2.91Å |
| 36 | I | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 130.4 | 172.6 | -61.6 | 176 | 0 | 0 | 0 | 109.4 | L27 W38 L55 V60 K62 M63 F64 I80 F82 | L27-I36 HydrophobicContact CD2-CD1 4.47Å; I36-W38 HydrophobicContact CB-CZ2 4.42Å; I36-W38 HydrophobicContact CD1-CZ2 4.06Å; I36-W38 HydrophobicContact CG2-CD2 3.77Å; I36-W38 HydrophobicContact CG2-CE3 4.45Å; I36-W38 HydrophobicContact CG2-CG 4.04Å; I36-W38 HydrophobicContact CG2-CH2 4.43Å; I36-W38 HydrophobicContact CG2-CZ2 3.76Å; I36-L55 HydrophobicContact CD1-CD1 4.37Å; I36-L55 HydrophobicContact CD1-CD2 4.23Å; I36-V60 HydrophobicContact CD1-CB 4.48Å; I36-V60 HydrophobicContact CD1-CG1 3.84Å; I36-V60 HydrophobicContact CD1-CG2 3.81Å; I36-V60 HydrophobicContact CG1-CG1 3.87Å; I36-V60 HydrophobicContact CG1-CG2 4.2Å; I36-K62 PolarHBondContact N-O 3.03Å; I36-M63 HydrophobicContact CB-CG 4.48Å; I36-M63 CarbonylContact O-C 3.5Å; I36-M63 VanDerWaalsContact O-CA 3.27Å; I36-M63 WeakPolarHBondContact O-CA 3.43Å; I36-F64 PolarHBondContact O-N 3.3Å; I36-I80 CarbonylContact C-O 3.55Å; I36-I80 WeakPolarHBondContact CA-O 3.46Å; I36-F82 HydrophobicContact CD1-CE1 3.96Å; I36-F82 HydrophobicContact CD1-CE2 4.24Å; I36-F82 HydrophobicContact CD1-CZ 3.78Å; I36-F82 HydrophobicContact CG1-CD1 4.45Å; I36-F82 HydrophobicContact CG1-CE1 4.02Å; I36-F82 HydrophobicContact CG1-CZ 4.36Å; I36-F82 HydrophobicContact CG2-CB 4.12Å; I36-F82 HydrophobicContact CG2-CD1 3.55Å; I36-F82 HydrophobicContact CG2-CD2 4.29Å; I36-F82 HydrophobicContact CG2-CE1 3.97Å; I36-F82 HydrophobicContact CG2-CG 3.74Å |
| 37 | V | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 115.2 | 170.3 | -174.2 | 0 | 0 | 0 | 0 | 108 | F64 L66 L71 I79 I80 F81 F82 | V37-F64 CarbonylContact C-O 3.55Å; V37-F64 WeakPolarHBondContact CA-O 3.36Å; V37-F64 HydrophobicContact CG2-CD2 4.35Å; V37-L66 HydrophobicContact CG1-CB 3.92Å; V37-L66 HydrophobicContact CG1-CD1 3.82Å; V37-L66 HydrophobicContact CG1-CG 4.5Å; V37-L71 HydrophobicContact CG1-CD2 4.04Å; V37-L71 HydrophobicContact CG2-CD1 4.02Å; V37-L71 HydrophobicContact CG2-CD2 3.84Å; V37-I79 HydrophobicContact CG2-CG2 3.84Å; V37-I80 PolarHBondContact N-O 2.86Å; V37-F81 HydrophobicContact CB-CD1 3.63Å; V37-F81 HydrophobicContact CB-CE1 3.93Å; V37-F81 HydrophobicContact CB-CG 4.37Å; V37-F81 HydrophobicContact CG1-CD1 3.76Å; V37-F81 HydrophobicContact CG1-CE1 3.87Å; V37-F81 HydrophobicContact CG2-CD1 4.2Å; V37-F81 HydrophobicContact CG2-CE1 4.06Å; V37-F81 WeakPolarHBondContact O-CA 3.43Å; V37-F82 PolarHBondContact O-N 3.49Å |
| 38 | W | 97.8 | Very high | 96.2 | Very high | 16 Ų | 16 | 31.8 Ų | 31.8 | 6% | 0.061 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 126.8 | -171.8 | -66.5 | 95.7 | 0 | 0 | 0 | 111.8 | I36 E40 L42 T43 F46 L55 F64 L66 F82 | I36-W38 HydrophobicContact CB-CZ2 4.42Å; I36-W38 HydrophobicContact CD1-CZ2 4.06Å; I36-W38 HydrophobicContact CG2-CD2 3.77Å; I36-W38 HydrophobicContact CG2-CE3 4.45Å; I36-W38 HydrophobicContact CG2-CG 4.04Å; I36-W38 HydrophobicContact CG2-CH2 4.43Å; I36-W38 HydrophobicContact CG2-CZ2 3.76Å; W38-E40 PolarHBondContact O-N 3.18Å; W38-E40 VanDerWaalsContact O-N 3.13Å; W38-L42 HydrophobicContact CE3-CB 4.15Å; W38-L42 HydrophobicContact CZ3-CB 4.43Å; W38-T43 HydrophobicContact CB-CG2 3.68Å; W38-T43 HydrophobicContact CD2-CG2 4.12Å; W38-T43 HydrophobicContact CE3-CG2 4.41Å; W38-T43 HydrophobicContact CG-CG2 3.82Å; W38-F46 HydrophobicContact CH2-CB 3.8Å; W38-F46 AromaticContact CH2-CD1 3.67Å; W38-F46 HydrophobicContact CH2-CD1 3.67Å; W38-F46 HydrophobicContact CH2-CD2 4.34Å; W38-F46 HydrophobicContact CH2-CE1 4.28Å; W38-F46 AromaticContact CH2-CG 3.68Å; W38-F46 HydrophobicContact CH2-CG 3.68Å; W38-F46 HydrophobicContact CZ3-CB 3.75Å; W38-F46 AromaticContact CZ3-CD1 3.83Å; W38-F46 HydrophobicContact CZ3-CD1 3.83Å; W38-F46 AromaticContact CZ3-CD2 3.67Å; W38-F46 HydrophobicContact CZ3-CD2 3.67Å; W38-F46 HydrophobicContact CZ3-CE1 4.3Å; W38-F46 HydrophobicContact CZ3-CE2 4.14Å; W38-F46 AromaticContact CZ3-CG 3.47Å; W38-F46 HydrophobicContact CZ3-CG 3.47Å; W38-F46 VanDerWaalsContact CZ3-CG 3.47Å; W38-F46 HydrophobicContact CZ3-CZ 4.42Å; W38-L55 HydrophobicContact CZ2-CD1 4.03Å; W38-F64 PolarHBondContact N-O 3.16Å; W38-L66 WeakPolarHBondContact O-CB 3.49Å; W38-L66 PolarHBondContact O-N 3.45Å; W38-F82 HydrophobicContact CD2-CB 4.47Å; W38-F82 HydrophobicContact CE3-CB 3.87Å; W38-F82 HydrophobicContact CE3-CD2 4.16Å; W38-F82 HydrophobicContact CE3-CG 4.36Å; W38-F82 AromaticContact CH2-CD2 3.6Å; W38-F82 HydrophobicContact CH2-CD2 3.6Å; W38-F82 AromaticContact CH2-CE2 3.96Å; W38-F82 HydrophobicContact CH2-CE2 3.96Å; W38-F82 HydrophobicContact CH2-CG 4.4Å; W38-F82 HydrophobicContact CZ2-CD2 4.38Å; W38-F82 HydrophobicContact CZ3-CB 4.03Å; W38-F82 AromaticContact CZ3-CD2 3.47Å; W38-F82 HydrophobicContact CZ3-CD2 3.47Å; W38-F82 VanDerWaalsContact CZ3-CD2 3.47Å; W38-F82 HydrophobicContact CZ3-CE2 4.28Å; W38-F82 HydrophobicContact CZ3-CG 4.11Å |
| 39 | D | 97.3 | Very high | 96 | Very high | 6 Ų | 6 | 27.3 Ų | 27.3 | 3% | 0.032 | 17% | 0.165 | C | C | . | . | trans | -51.7 | 116.4 | 145.4 | 172.7 | -1.2 | 0 | 0 | 0 | 107.6 | Y41 L42 F82 V83 R84 L89 | D39-Y41 PolarHBondContact O-N 2.88Å; D39-Y41 PolarHBondContact OD1-N 2.89Å; D39-L42 HydrophobicContact CB-CD1 4.13Å; D39-L42 HydrophobicContact CB-CG 4.21Å; D39-L42 WeakPolarHBondContact O-CB 3.43Å; D39-L42 PolarHBondContact O-N 2.91Å; D39-F82 WeakPolarHBondContact CB-O 3.21Å; D39-F82 PolarHBondContact N-O 3.2Å; D39-V83 HydrophobicContact CB-CB 4.32Å; D39-V83 HydrophobicContact CB-CG1 4.16Å; D39-R84 IonicContact OD1-CZ 2.85Å; D39-R84 IonicContact OD1-NE 3.45Å; D39-R84 IonicContact OD1-NH2 3.06Å; D39-R84 PolarHBondContact OD1-NH2 3.18Å; D39-R84 WeakPolarHBondContact OD2-CB 3.42Å; D39-R84 WeakPolarHBondContact OD2-CG 3.38Å; D39-R84 IonicContact OD2-CZ 2.76Å; D39-R84 PolarHBondContact OD2-N 3.2Å; D39-R84 IonicContact OD2-NE 3.56Å; D39-R84 PolarHBondContact OD2-NE 3.07Å; D39-R84 IonicContact OD2-NH2 3.07Å; D39-R84 PolarHBondContact OD2-NH2 3.15Å; D39-L89 HydrophobicContact CB-CD1 4.16Å; D39-L89 WeakPolarHBondContact OD2-CD1 3.25Å | ||
| 40 | E | 95.8 | Very high | 95.8 | Very high | 131 Ų | 131 | 22.8 Ų | 22.8 | 61% | 0.612 | 15% | 0.146 | S | C | * | . | G | 310 helix | trans | -51.9 | -37.6 | -169.3 | -173.8 | 168.9 | -174.5 | 0 | 0 | 112 | W38 L42 T43 T65 | W38-E40 PolarHBondContact O-N 3.18Å; W38-E40 VanDerWaalsContact O-N 3.13Å; E40-L42 VanDerWaalsContact C-N 3.29Å; E40-L42 PolarHBondContact O-N 2.77Å; E40-T43 WeakPolarHBondContact O-CB 3.4Å; E40-T43 WeakPolarHBondContact O-CG2 3.41Å; E40-T43 PolarHBondContact O-N 2.98Å; E40-T43 PolarHBondContact O-OG1 3.35Å; E40-T65 HydrophobicContact CB-CG2 3.84Å; E40-T65 HydrophobicContact CG-CG2 4.14Å |
| 41 | Y | 95.1 | Very high | 95.4 | Very high | 45 Ų | 45 | 28.5 Ų | 28.5 | 18% | 0.176 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -58.1 | -39.4 | 178.1 | -178.2 | -99.3 | 0 | 0 | 0 | 113.3 | D39 T43 P45 R84 E155 E157 | D39-Y41 PolarHBondContact O-N 2.88Å; D39-Y41 PolarHBondContact OD1-N 2.89Å; Y41-T43 PolarHBondContact O-N 3.2Å; Y41-P45 HydrophobicContact CE1-CG 4.3Å; Y41-P45 WeakPolarHBondContact O-CD 3.45Å; Y41-R84 VanDerWaalsContact CD1-CZ 3.45Å; Y41-R84 VanDerWaalsContact CD1-NH1 3.33Å; Y41-R84 VanDerWaalsContact CG-NH1 3.26Å; Y41-E155 VanDerWaalsContact OH-C 3.3Å; Y41-E155 PolarHBondContact OH-O 3.28Å; Y41-E157 HydrophobicContact CE2-CG 3.88Å; Y41-E157 WeakPolarHBondContact CE2-OE1 3.44Å; Y41-E157 WeakPolarHBondContact CE2-OE2 3.48Å |
| 42 | L | 96.6 | Very high | 95.2 | Very high | 7 Ų | 7 | 31.1 Ų | 31.1 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -70.6 | -18.4 | -175.2 | -69.3 | -179.2 | 0 | 0 | 0 | 113.1 | W38 D39 E40 G44 P45 F46 R84 V114 | W38-L42 HydrophobicContact CE3-CB 4.15Å; W38-L42 HydrophobicContact CZ3-CB 4.43Å; D39-L42 HydrophobicContact CB-CD1 4.13Å; D39-L42 HydrophobicContact CB-CG 4.21Å; D39-L42 WeakPolarHBondContact O-CB 3.43Å; D39-L42 PolarHBondContact O-N 2.91Å; E40-L42 VanDerWaalsContact C-N 3.29Å; E40-L42 PolarHBondContact O-N 2.77Å; L42-G44 VanDerWaalsContact C-N 3.28Å; L42-G44 PolarHBondContact O-N 3.36Å; L42-P45 WeakPolarHBondContact O-CD 3.3Å; L42-F46 HydrophobicContact CB-CD2 4.03Å; L42-F46 HydrophobicContact CB-CE2 4.27Å; L42-F46 HydrophobicContact CD1-CE2 4.36Å; L42-F46 HydrophobicContact CD2-CE2 4.38Å; L42-F46 WeakPolarHBondContact O-CB 3.14Å; L42-F46 WeakPolarHBondContact O-CD2 3.19Å; L42-F46 PolarHBondContact O-N 3.49Å; L42-R84 HydrophobicContact CD1-CG 4.39Å; L42-R84 HydrophobicContact CD2-CG 3.88Å; L42-R84 HydrophobicContact CG-CG 4.17Å; L42-V114 HydrophobicContact CD1-CB 3.94Å; L42-V114 HydrophobicContact CD1-CG2 3.92Å; L42-V114 HydrophobicContact CD2-CB 4.21Å; L42-V114 HydrophobicContact CD2-CG1 4.17Å |
| 43 | T | 95.2 | Very high | 95.1 | Very high | 69 Ų | 69 | 33 Ų | 33 | 42% | 0.423 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59.8 | -37.9 | -178.3 | 62.4 | 0 | 0 | 0 | 0 | 112.7 | W38 E40 Y41 G47 | W38-T43 HydrophobicContact CB-CG2 3.68Å; W38-T43 HydrophobicContact CD2-CG2 4.12Å; W38-T43 HydrophobicContact CE3-CG2 4.41Å; W38-T43 HydrophobicContact CG-CG2 3.82Å; E40-T43 WeakPolarHBondContact O-CB 3.4Å; E40-T43 WeakPolarHBondContact O-CG2 3.41Å; E40-T43 PolarHBondContact O-N 2.98Å; E40-T43 PolarHBondContact O-OG1 3.35Å; Y41-T43 PolarHBondContact O-N 3.2Å; T43-G47 PolarHBondContact O-N 2.93Å |
| 44 | G | 94.2 | Very high | 94.9 | Very high | 18 Ų | 18 | 32 Ų | 32 | 19% | 0.186 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.1 | -61.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L42 F46 G47 L48 N258 | L42-G44 VanDerWaalsContact C-N 3.28Å; L42-G44 PolarHBondContact O-N 3.36Å; G44-F46 VanDerWaalsContact C-N 3.32Å; G44-F46 PolarHBondContact O-N 3.38Å; G44-G47 PolarHBondContact O-N 3.48Å; G44-L48 PolarHBondContact O-N 3.06Å; G44-N258 VanDerWaalsContact C-CG 3.49Å; G44-N258 WeakPolarHBondContact CA-OD1 3.46Å |
| 45 | P | 95.3 | Very high | 94.8 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -50.2 | -45.2 | 174.3 | -32.7 | 39.5 | 0 | 0 | 0 | 113.9 | Y41 L42 G47 L48 I145 E155 | Y41-P45 HydrophobicContact CE1-CG 4.3Å; Y41-P45 WeakPolarHBondContact O-CD 3.45Å; L42-P45 WeakPolarHBondContact O-CD 3.3Å; P45-G47 VanDerWaalsContact C-N 3.33Å; P45-G47 PolarHBondContact O-N 3.49Å; P45-L48 WeakPolarHBondContact O-CB 3.27Å; P45-L48 PolarHBondContact O-N 2.7Å; P45-I145 HydrophobicContact CB-CD1 3.69Å; P45-E155 HydrophobicContact CG-CB 4.04Å; P45-E155 HydrophobicContact CG-CG 4.27Å |
| 46 | F | 94.9 | Very high | 94.8 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.9 | -32.4 | 177.2 | -89.5 | -101.6 | 0 | 0 | 0 | 112.7 | L23 W38 L42 G44 L48 I49 A50 F82 V114 Y140 L142 | L23-F46 HydrophobicContact CD1-CE1 4.31Å; L23-F46 HydrophobicContact CD2-CD1 4.45Å; L23-F46 HydrophobicContact CD2-CE1 4.26Å; W38-F46 HydrophobicContact CH2-CB 3.8Å; W38-F46 AromaticContact CH2-CD1 3.67Å; W38-F46 HydrophobicContact CH2-CD1 3.67Å; W38-F46 HydrophobicContact CH2-CD2 4.34Å; W38-F46 HydrophobicContact CH2-CE1 4.28Å; W38-F46 AromaticContact CH2-CG 3.68Å; W38-F46 HydrophobicContact CH2-CG 3.68Å; W38-F46 HydrophobicContact CZ3-CB 3.75Å; W38-F46 AromaticContact CZ3-CD1 3.83Å; W38-F46 HydrophobicContact CZ3-CD1 3.83Å; W38-F46 AromaticContact CZ3-CD2 3.67Å; W38-F46 HydrophobicContact CZ3-CD2 3.67Å; W38-F46 HydrophobicContact CZ3-CE1 4.3Å; W38-F46 HydrophobicContact CZ3-CE2 4.14Å; W38-F46 AromaticContact CZ3-CG 3.47Å; W38-F46 HydrophobicContact CZ3-CG 3.47Å; W38-F46 VanDerWaalsContact CZ3-CG 3.47Å; W38-F46 HydrophobicContact CZ3-CZ 4.42Å; L42-F46 HydrophobicContact CB-CD2 4.03Å; L42-F46 HydrophobicContact CB-CE2 4.27Å; L42-F46 HydrophobicContact CD1-CE2 4.36Å; L42-F46 HydrophobicContact CD2-CE2 4.38Å; L42-F46 WeakPolarHBondContact O-CB 3.14Å; L42-F46 WeakPolarHBondContact O-CD2 3.19Å; L42-F46 PolarHBondContact O-N 3.49Å; G44-F46 VanDerWaalsContact C-N 3.32Å; G44-F46 PolarHBondContact O-N 3.38Å; F46-L48 PolarHBondContact O-N 2.76Å; F46-L48 VanDerWaalsContact O-N 3.16Å; F46-I49 CarbonylContact O-C 3.59Å; F46-I49 PolarHBondContact O-N 3.39Å; F46-A50 PolarHBondContact O-N 3.01Å; F46-F82 HydrophobicContact CD1-CD2 4.46Å; F46-F82 HydrophobicContact CD1-CE2 4.41Å; F46-F82 AromaticContact CE1-CD2 3.82Å; F46-F82 HydrophobicContact CE1-CD2 3.82Å; F46-F82 AromaticContact CE1-CE2 3.72Å; F46-F82 HydrophobicContact CE1-CE2 3.72Å; F46-F82 HydrophobicContact CE2-CD2 4.42Å; F46-F82 AromaticContact CZ-CD2 3.77Å; F46-F82 HydrophobicContact CZ-CD2 3.77Å; F46-F82 HydrophobicContact CZ-CE2 4.07Å; F46-V114 HydrophobicContact CE2-CG1 4.08Å; F46-V114 HydrophobicContact CE2-CG2 3.91Å; F46-V114 HydrophobicContact CZ-CG1 4.48Å; F46-V114 HydrophobicContact CZ-CG2 3.88Å; F46-Y140 HydrophobicContact CE1-CD1 4Å; F46-Y140 AromaticContact CE1-CE1 3.55Å; F46-Y140 HydrophobicContact CE1-CE1 3.55Å; F46-Y140 HydrophobicContact CE2-CD1 4.45Å; F46-Y140 HydrophobicContact CE2-CE1 4.41Å; F46-Y140 AromaticContact CZ-CD1 3.51Å; F46-Y140 HydrophobicContact CZ-CD1 3.51Å; F46-Y140 AromaticContact CZ-CE1 3.47Å; F46-Y140 HydrophobicContact CZ-CE1 3.47Å; F46-Y140 VanDerWaalsContact CZ-CE1 3.47Å; F46-L142 HydrophobicContact CD2-CD2 4.26Å; F46-L142 HydrophobicContact CE2-CD2 4.07Å; F46-L142 HydrophobicContact CZ-CD2 4.47Å |
| 47 | G | 93.8 | Very high | 94.7 | Very high | 40 Ų | 40 | 44.8 Ų | 44.8 | 41% | 0.412 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.8 | -25.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | T43 G44 P45 | T43-G47 PolarHBondContact O-N 2.93Å; G44-G47 PolarHBondContact O-N 3.48Å; P45-G47 VanDerWaalsContact C-N 3.33Å; P45-G47 PolarHBondContact O-N 3.49Å |
| 48 | L | 93.7 | Very high | 94.6 | Very high | 19 Ų | 19 | 46 Ų | 46 | 10% | 0.099 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -78.2 | -29.2 | 174 | -63.5 | 171.8 | 0 | 0 | 0 | 112.6 | G44 P45 F46 I145 F147 N258 | G44-L48 PolarHBondContact O-N 3.06Å; P45-L48 WeakPolarHBondContact O-CB 3.27Å; P45-L48 PolarHBondContact O-N 2.7Å; F46-L48 PolarHBondContact O-N 2.76Å; F46-L48 VanDerWaalsContact O-N 3.16Å; L48-I145 HydrophobicContact CB-CG2 3.7Å; L48-I145 HydrophobicContact CD1-CG2 3.74Å; L48-I145 HydrophobicContact CG-CG2 4.38Å; L48-F147 HydrophobicContact CD1-CD1 4.11Å; L48-F147 HydrophobicContact CD1-CD2 3.93Å; L48-F147 HydrophobicContact CD1-CE1 3.72Å; L48-F147 HydrophobicContact CD1-CE2 3.46Å; L48-F147 VanDerWaalsContact CD1-CE2 3.46Å; L48-F147 HydrophobicContact CD1-CG 4.21Å; L48-F147 HydrophobicContact CD1-CZ 3.36Å; L48-N258 HydrophobicContact CD1-CB 4.05Å; L48-N258 HydrophobicContact CG-CB 4.33Å |
| 49 | I | 93.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -91.5 | -58.2 | -178.9 | -59.1 | -61.7 | 0 | 0 | 0 | 111.3 | R16 V19 R20 F46 L142 I145 | R16-I49 HydrophobicContact CG-CD1 4.21Å; V19-I49 HydrophobicContact CG1-CG2 4.33Å; R20-I49 HydrophobicContact CG-CG2 4.04Å; R20-I49 PolarHBondContact NE-O 3.46Å; R20-I49 PolarHBondContact NH2-O 3.04Å; F46-I49 CarbonylContact O-C 3.59Å; F46-I49 PolarHBondContact O-N 3.39Å; I49-L142 HydrophobicContact CD1-CD1 4Å; I49-L142 HydrophobicContact CG1-CD1 3.78Å; I49-L142 HydrophobicContact CG1-CD2 4.39Å; I49-I145 HydrophobicContact CD1-CB 4.41Å; I49-I145 HydrophobicContact CD1-CG1 4.33Å; I49-I145 HydrophobicContact CD1-CG2 3.91Å; I49-I145 HydrophobicContact CG1-CG1 4.34Å; I49-I145 HydrophobicContact CG1-CG2 4.21Å |
| 50 | A | 91.7 | Very high | 94.6 | Very high | 7 Ų | 7 | 49.7 Ų | 49.7 | 6% | 0.058 | 25% | 0.254 | C | S | . | . | trans | -122.7 | 116.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L23 F46 L54 L55 | L23-A50 HydrophobicContact CD2-CB 3.78Å; F46-A50 PolarHBondContact O-N 3.01Å; A50-L54 HydrophobicContact CB-CD2 4.1Å; A50-L55 HydrophobicContact CB-CD2 4.39Å | ||
| 51 | Q | 88.1 | Confident | 94.7 | Very high | 122 Ų | 122 | 48.2 Ų | 48.2 | 57% | 0.57 | 25% | 0.247 | S | C | * | . | trans | -76.9 | 159.5 | 171.1 | -65.4 | 179.7 | 0.2 | 0 | 0 | 110 | S53 L54 L55 | Q51-S53 PolarHBondContact O-N 2.98Å; Q51-S53 VanDerWaalsContact O-N 3.09Å; Q51-L54 WeakPolarHBondContact O-CB 3.3Å; Q51-L54 PolarHBondContact O-N 3.26Å; Q51-L55 PolarHBondContact O-N 2.88Å | ||
| 52 | Y | 90.4 | Very high | 94.7 | Very high | 113 Ų | 113 | 51 Ų | 51 | 44% | 0.443 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -53.3 | -33.2 | 178.4 | 176.6 | -113.1 | 0 | 0 | 0 | 113.4 | L54 L55 K56 M63 | Y52-L54 VanDerWaalsContact C-N 3.32Å; Y52-L54 PolarHBondContact O-N 3.34Å; Y52-L55 PolarHBondContact O-N 3.1Å; Y52-K56 HydrophobicContact CE1-CD 4.08Å; Y52-K56 WeakPolarHBondContact O-CB 2.95Å; Y52-K56 PolarHBondContact O-N 2.97Å; Y52-M63 HydrophobicContact CD2-CE 3.33Å; Y52-M63 HydrophobicContact CD2-SD 4.13Å; Y52-M63 HydrophobicContact CE2-CE 3.65Å; Y52-M63 HydrophobicContact CG-CE 4.35Å |
| 53 | S | 93.6 | Very high | 94.7 | Very high | 61 Ų | 61 | 54.5 Ų | 54.5 | 43% | 0.427 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.8 | -41.8 | 175.8 | 58.1 | 0 | 0 | 0 | 0 | 112.6 | Q51 K56 E57 | Q51-S53 PolarHBondContact O-N 2.98Å; Q51-S53 VanDerWaalsContact O-N 3.09Å; S53-K56 PolarHBondContact O-N 2.75Å; S53-E57 VanDerWaalsContact O-CG 3.31Å; S53-E57 WeakPolarHBondContact O-CG 3.31Å; S53-E57 PolarHBondContact O-N 3.23Å |
| 54 | L | 94.4 | Very high | 94.7 | Very high | 7 Ų | 7 | 52.8 Ų | 52.8 | 4% | 0.037 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.3 | -44.3 | 177.1 | -176.4 | 154.7 | 0 | 0 | 0 | 110.7 | R20 L23 R24 A50 Q51 Y52 K56 E57 H58 | R20-L54 HydrophobicContact CB-CD1 4.28Å; R20-L54 HydrophobicContact CG-CD1 3.86Å; L23-L54 HydrophobicContact CD2-CD2 4.3Å; R24-L54 HydrophobicContact CG-CD2 4.44Å; A50-L54 HydrophobicContact CB-CD2 4.1Å; Q51-L54 WeakPolarHBondContact O-CB 3.3Å; Q51-L54 PolarHBondContact O-N 3.26Å; Y52-L54 VanDerWaalsContact C-N 3.32Å; Y52-L54 PolarHBondContact O-N 3.34Å; L54-K56 VanDerWaalsContact C-N 3.31Å; L54-K56 PolarHBondContact O-N 3.32Å; L54-E57 WeakPolarHBondContact O-CB 3.33Å; L54-E57 PolarHBondContact O-N 3.09Å; L54-H58 PolarHBondContact O-CD2 3.48Å |
| 55 | L | 96.4 | Very high | 94.9 | Very high | 6 Ų | 6 | 54.6 Ų | 54.6 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 178.2 | -60.3 | 178.4 | 0 | 0 | 0 | 111.1 | L23 L27 I36 W38 A50 Q51 Y52 E57 H58 V60 M63 | L23-L55 HydrophobicContact CD2-CD2 4.18Å; L27-L55 HydrophobicContact CD1-CD2 4.07Å; I36-L55 HydrophobicContact CD1-CD1 4.37Å; I36-L55 HydrophobicContact CD1-CD2 4.23Å; W38-L55 HydrophobicContact CZ2-CD1 4.03Å; A50-L55 HydrophobicContact CB-CD2 4.39Å; Q51-L55 PolarHBondContact O-N 2.88Å; Y52-L55 PolarHBondContact O-N 3.1Å; L55-E57 VanDerWaalsContact C-N 3.34Å; L55-E57 PolarHBondContact O-N 3.46Å; L55-H58 CarbonylContact O-C 3.53Å; L55-H58 PolarHBondContact O-N 3.34Å; L55-H58 VanDerWaalsContact O-N 3.09Å; L55-V60 HydrophobicContact CB-CB 3.93Å; L55-V60 HydrophobicContact CB-CG1 4.3Å; L55-V60 HydrophobicContact CB-CG2 4.06Å; L55-V60 VanDerWaalsContact O-CB 3.26Å; L55-V60 WeakPolarHBondContact O-CB 3.49Å; L55-V60 VanDerWaalsContact O-CG2 3.31Å; L55-V60 WeakPolarHBondContact O-CG2 3.45Å; L55-V60 PolarHBondContact O-N 3.42Å; L55-V60 VanDerWaalsContact O-N 3.14Å; L55-M63 HydrophobicContact CD1-SD 3.9Å |
| 56 | K | 96 | Very high | 95 | Very high | 132 Ų | 132 | 55.2 Ų | 55.2 | 57% | 0.574 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -64.2 | -36.4 | 178.2 | -172.6 | 177.9 | 179.9 | -179.6 | 0 | 112.7 | Y52 S53 L54 H58 E59 | Y52-K56 HydrophobicContact CE1-CD 4.08Å; Y52-K56 WeakPolarHBondContact O-CB 2.95Å; Y52-K56 PolarHBondContact O-N 2.97Å; S53-K56 PolarHBondContact O-N 2.75Å; L54-K56 VanDerWaalsContact C-N 3.31Å; L54-K56 PolarHBondContact O-N 3.32Å; K56-H58 PolarHBondContact O-N 2.99Å; K56-E59 PolarHBondContact O-N 3.01Å |
| 57 | E | 96.4 | Very high | 95 | Very high | 133 Ų | 133 | 61.6 Ų | 61.6 | 62% | 0.621 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -58.6 | -26.3 | 173.4 | -76.3 | 164.1 | -165.3 | 0 | 0 | 112.5 | S53 L54 L55 | S53-E57 VanDerWaalsContact O-CG 3.31Å; S53-E57 WeakPolarHBondContact O-CG 3.31Å; S53-E57 PolarHBondContact O-N 3.23Å; L54-E57 WeakPolarHBondContact O-CB 3.33Å; L54-E57 PolarHBondContact O-N 3.09Å; L55-E57 VanDerWaalsContact C-N 3.34Å; L55-E57 PolarHBondContact O-N 3.46Å |
| 58 | H | 96.8 | Very high | 94.9 | Very high | 26 Ų | 26 | 61 Ų | 61 | 12% | 0.12 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 32.5 | 178.9 | -68 | -92.3 | 0 | 0 | 0 | 112.6 | R24 L27 D28 K34 L54 L55 K56 V60 | R24-H58 WeakPolarHBondContact CD-NE2 2.87Å; R24-H58 WeakPolarHBondContact CG-NE2 3.37Å; L27-H58 HydrophobicContact CB-CB 4.01Å; L27-H58 HydrophobicContact CD1-CB 3.91Å; D28-H58 IonicContact OD1-CE1 4Å; D28-H58 PolarHBondContact OD1-CE1 3.38Å; D28-H58 IonicContact OD1-CG 3.62Å; D28-H58 IonicContact OD1-ND1 3.13Å; D28-H58 PolarHBondContact OD1-ND1 3.44Å; D28-H58 IonicContact OD2-CE1 2.97Å; D28-H58 IonicContact OD2-ND1 2.7Å; K34-H58 WeakPolarHBondContact CD-O 3.26Å; K34-H58 WeakPolarHBondContact CE-O 3.2Å; K34-H58 PolarHBondContact NZ-O 3.18Å; L54-H58 PolarHBondContact O-CD2 3.48Å; L55-H58 CarbonylContact O-C 3.53Å; L55-H58 PolarHBondContact O-N 3.34Å; L55-H58 VanDerWaalsContact O-N 3.09Å; K56-H58 PolarHBondContact O-N 2.99Å; H58-V60 VanDerWaalsContact C-N 3.29Å; H58-V60 PolarHBondContact O-N 2.88Å |
| 59 | E | 97.3 | Very high | 94.7 | Very high | 99 Ų | 99 | 65.4 Ų | 65.4 | 46% | 0.463 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 25.2 | 174.4 | -42.5 | 173.8 | 122.6 | 0 | 0 | 115.2 | G32 K34 K56 E61 | G32-E59 VanDerWaalsContact C-OE2 3.31Å; G32-E59 WeakPolarHBondContact CA-OE2 3.38Å; G32-E59 PolarHBondContact N-OE2 3.14Å; G32-E59 VanDerWaalsContact O-OE2 3.05Å; K34-E59 PolarHBondContact N-O 2.88Å; K34-E59 IonicContact NZ-OE2 3.73Å; K34-E59 PolarHBondContact NZ-OE2 3.28Å; K56-E59 PolarHBondContact O-N 3.01Å; E59-E61 PolarHBondContact O-N 3.35Å |
| 60 | V | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 107.3 | 168.7 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | L27 K34 I36 L55 H58 M63 | L27-V60 HydrophobicContact CD1-CG2 4.47Å; L27-V60 HydrophobicContact CD2-CG2 4.23Å; K34-V60 HydrophobicContact CB-CG2 4.28Å; K34-V60 HydrophobicContact CD-CG2 4.23Å; I36-V60 HydrophobicContact CD1-CB 4.48Å; I36-V60 HydrophobicContact CD1-CG1 3.84Å; I36-V60 HydrophobicContact CD1-CG2 3.81Å; I36-V60 HydrophobicContact CG1-CG1 3.87Å; I36-V60 HydrophobicContact CG1-CG2 4.2Å; L55-V60 HydrophobicContact CB-CB 3.93Å; L55-V60 HydrophobicContact CB-CG1 4.3Å; L55-V60 HydrophobicContact CB-CG2 4.06Å; L55-V60 VanDerWaalsContact O-CB 3.26Å; L55-V60 WeakPolarHBondContact O-CB 3.49Å; L55-V60 VanDerWaalsContact O-CG2 3.31Å; L55-V60 WeakPolarHBondContact O-CG2 3.45Å; L55-V60 PolarHBondContact O-N 3.42Å; L55-V60 VanDerWaalsContact O-N 3.14Å; H58-V60 VanDerWaalsContact C-N 3.29Å; H58-V60 PolarHBondContact O-N 2.88Å; V60-M63 HydrophobicContact CG1-CG 4.08Å |
| 61 | E | 97 | Very high | 94.6 | Very high | 99 Ų | 99 | 71.6 Ų | 71.6 | 46% | 0.463 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | -33.4 | -174.9 | -64.3 | -175.3 | -167.8 | 0 | 0 | 113 | S33 K34 E59 V76 | S33-E61 WeakPolarHBondContact CB-OE1 3.4Å; K34-E61 PolarHBondContact O-N 2.86Å; E59-E61 PolarHBondContact O-N 3.35Å; E61-V76 HydrophobicContact CB-CG1 4.32Å |
| 62 | K | 96.5 | Very high | 94.7 | Very high | 105 Ų | 105 | 69 Ų | 69 | 46% | 0.457 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 151.8 | -176.3 | -58.9 | -65.4 | 177.5 | -177 | 0 | 110.8 | A35 I36 F64 A74 | A35-K62 VanDerWaalsContact CA-O 3.25Å; A35-K62 WeakPolarHBondContact CA-O 3.42Å; A35-K62 HydrophobicContact CB-CB 3.89Å; I36-K62 PolarHBondContact N-O 3.03Å; K62-F64 HydrophobicContact CB-CE1 4.32Å; K62-F64 HydrophobicContact CB-CE2 3.94Å; K62-F64 HydrophobicContact CB-CZ 3.64Å; K62-F64 HydrophobicContact CG-CZ 4.21Å; K62-A74 HydrophobicContact CG-CB 4.29Å |
| 63 | M | 96.2 | Very high | 94.6 | Very high | 80 Ų | 80 | 68.5 Ų | 68.5 | 39% | 0.394 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 135 | 175.2 | -63.9 | 179.9 | -63.9 | 0 | 0 | 108.6 | I36 Y52 L55 V60 | I36-M63 HydrophobicContact CB-CG 4.48Å; I36-M63 CarbonylContact O-C 3.5Å; I36-M63 VanDerWaalsContact O-CA 3.27Å; I36-M63 WeakPolarHBondContact O-CA 3.43Å; Y52-M63 HydrophobicContact CD2-CE 3.33Å; Y52-M63 HydrophobicContact CD2-SD 4.13Å; Y52-M63 HydrophobicContact CE2-CE 3.65Å; Y52-M63 HydrophobicContact CG-CE 4.35Å; L55-M63 HydrophobicContact CD1-SD 3.9Å; V60-M63 HydrophobicContact CG1-CG 4.08Å |
| 64 | F | 96.1 | Very high | 94.4 | Very high | 32 Ų | 32 | 65.9 Ų | 65.9 | 14% | 0.14 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 153.3 | -178.5 | -53.3 | -59.6 | 0 | 0 | 0 | 110.1 | A35 I36 V37 W38 K62 P72 A74 | A35-F64 HydrophobicContact CB-CD2 4.19Å; A35-F64 HydrophobicContact CB-CE2 3.71Å; I36-F64 PolarHBondContact O-N 3.3Å; V37-F64 CarbonylContact C-O 3.55Å; V37-F64 WeakPolarHBondContact CA-O 3.36Å; V37-F64 HydrophobicContact CG2-CD2 4.35Å; W38-F64 PolarHBondContact N-O 3.16Å; K62-F64 HydrophobicContact CB-CE1 4.32Å; K62-F64 HydrophobicContact CB-CE2 3.94Å; K62-F64 HydrophobicContact CB-CZ 3.64Å; K62-F64 HydrophobicContact CG-CZ 4.21Å; F64-P72 HydrophobicContact CD1-CB 3.98Å; F64-P72 HydrophobicContact CD1-CG 3.7Å; F64-P72 HydrophobicContact CE1-CB 3.67Å; F64-P72 HydrophobicContact CE1-CG 3.95Å; F64-P72 HydrophobicContact CG-CG 4.21Å; F64-P72 HydrophobicContact CZ-CB 4.13Å; F64-A74 HydrophobicContact CE2-CB 3.85Å; F64-A74 HydrophobicContact CZ-CB 3.79Å |
| 65 | T | 97 | Very high | 94.2 | Very high | 56 Ų | 56 | 72.3 Ų | 72.3 | 34% | 0.344 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 135.8 | 166.4 | -52.6 | 0 | 0 | 0 | 0 | 108.9 | E40 K67 | E40-T65 HydrophobicContact CB-CG2 3.84Å; E40-T65 HydrophobicContact CG-CG2 4.14Å; T65-K67 HydrophobicContact CG2-CG 4.39Å; T65-K67 PolarHBondContact O-N 3.13Å |
| 66 | L | 97.6 | Very high | 94.2 | Very high | 17 Ų | 17 | 72.3 Ų | 72.3 | 9% | 0.089 | 37% | 0.372 | C | S | . | . | trans | -62.8 | 114.2 | 173.8 | -178 | 60.8 | 0 | 0 | 0 | 109.4 | V37 W38 F81 V83 L89 I92 I93 N96 | V37-L66 HydrophobicContact CG1-CB 3.92Å; V37-L66 HydrophobicContact CG1-CD1 3.82Å; V37-L66 HydrophobicContact CG1-CG 4.5Å; W38-L66 WeakPolarHBondContact O-CB 3.49Å; W38-L66 PolarHBondContact O-N 3.45Å; L66-F81 HydrophobicContact CD1-CD1 4.09Å; L66-F81 HydrophobicContact CD1-CE1 4.13Å; L66-V83 HydrophobicContact CD2-CG1 3.93Å; L66-L89 HydrophobicContact CD2-CB 4.24Å; L66-L89 HydrophobicContact CD2-CD2 4.06Å; L66-I92 HydrophobicContact CD1-CB 4.43Å; L66-I92 HydrophobicContact CD1-CG2 3.74Å; L66-I92 HydrophobicContact CG-CB 4.42Å; L66-I92 HydrophobicContact CG-CG2 3.85Å; L66-I93 HydrophobicContact CD1-CG1 3.94Å; L66-I93 HydrophobicContact CD2-CD1 4.49Å; L66-I93 HydrophobicContact CD2-CG1 4.04Å; L66-N96 WeakPolarHBondContact CD1-OD1 3.48Å | ||
| 67 | K | 95.3 | Very high | 94.2 | Very high | 138 Ų | 138 | 70.5 Ų | 70.5 | 60% | 0.6 | 36% | 0.364 | S | S | * | . | trans | -141.7 | 155.8 | 177.6 | -66 | -173.4 | 178.1 | -175.7 | 0 | 108.3 | T65 I92 N96 | T65-K67 HydrophobicContact CG2-CG 4.39Å; T65-K67 PolarHBondContact O-N 3.13Å; K67-I92 VanDerWaalsContact C-CG2 3.41Å; K67-N96 PolarHBondContact O-ND2 2.98Å | ||
| 68 | G | 91 | Very high | 94.2 | Very high | 28 Ų | 28 | 64.3 Ų | 64.3 | 29% | 0.289 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -60.8 | 169 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E95 | G68-E95 VanDerWaalsContact CA-OE2 3.27Å; G68-E95 WeakPolarHBondContact CA-OE2 3.31Å |
| 69 | N | 89.5 | Confident | 94.2 | Very high | 111 Ų | 111 | 63 Ų | 63 | 59% | 0.594 | 33% | 0.329 | S | S | * | . | S | Bend | trans | 69.7 | -162.2 | -175.3 | -48.8 | -84.8 | 0 | 0 | 0 | 114.7 | E95 N96 | N69-E95 WeakPolarHBondContact CA-OE1 3.47Å; N69-E95 PolarHBondContact N-OE1 2.9Å; N69-E95 PolarHBondContact N-OE2 2.87Å; N69-E95 PolarHBondContact OD1-OE1 2.83Å; N69-N96 PolarHBondContact O-ND2 2.71Å |
| 70 | R | 90.3 | Very high | 94.3 | Very high | 130 Ų | 130 | 58.3 Ų | 58.3 | 49% | 0.491 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -69.4 | 138.7 | -177.8 | -173 | -175.1 | -89.7 | -167.6 | -3.1 | 111.5 | S99 D101 | R70-S99 PolarHBondContact NE-O 2.93Å; R70-D101 VanDerWaalsContact CZ-CB 3.48Å; R70-D101 IonicContact CZ-OD2 2.76Å; R70-D101 IonicContact NH1-OD2 3.94Å; R70-D101 PolarHBondContact NH1-OD2 3.05Å; R70-D101 IonicContact NH2-OD1 3.46Å; R70-D101 IonicContact NH2-OD2 3.8Å; R70-D101 PolarHBondContact NH2-OD2 3.33Å |
| 71 | L | 92.2 | Very high | 94.3 | Very high | 9 Ų | 9 | 58.3 Ų | 58.3 | 5% | 0.047 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 148.2 | 170.5 | -67.5 | 173.1 | 0 | 0 | 0 | 111.5 | V37 I79 F81 N96 | V37-L71 HydrophobicContact CG1-CD2 4.04Å; V37-L71 HydrophobicContact CG2-CD1 4.02Å; V37-L71 HydrophobicContact CG2-CD2 3.84Å; L71-I79 HydrophobicContact CD1-CG2 3.79Å; L71-F81 HydrophobicContact CD1-CZ 4.21Å; L71-N96 HydrophobicContact CD1-CB 4.41Å; L71-N96 HydrophobicContact CD2-CB 4.36Å; L71-N96 HydrophobicContact CG-CB 4.07Å |
| 72 | P | 91.5 | Very high | 94.4 | Very high | 68 Ų | 68 | 53.6 Ų | 53.6 | 44% | 0.442 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -55 | 148.4 | 172 | -23.9 | 34.4 | 0 | 0 | 0 | 111.8 | F64 A74 | F64-P72 HydrophobicContact CD1-CB 3.98Å; F64-P72 HydrophobicContact CD1-CG 3.7Å; F64-P72 HydrophobicContact CE1-CB 3.67Å; F64-P72 HydrophobicContact CE1-CG 3.95Å; F64-P72 HydrophobicContact CG-CG 4.21Å; F64-P72 HydrophobicContact CZ-CB 4.13Å; P72-A74 PolarHBondContact O-N 3.02Å |
| 73 | A | 88.5 | Confident | 94.5 | Very high | 101 Ų | 101 | 48.6 Ų | 48.6 | 84% | 0.835 | 26% | 0.263 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 126.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 74 | A | 89 | Confident | 94.6 | Very high | 6 Ų | 6 | 47.1 Ų | 47.1 | 5% | 0.05 | 25% | 0.253 | C | S | . | . | trans | -139.5 | 124.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | K62 F64 P72 V76 R107 | K62-A74 HydrophobicContact CG-CB 4.29Å; F64-A74 HydrophobicContact CE2-CB 3.85Å; F64-A74 HydrophobicContact CZ-CB 3.79Å; P72-A74 PolarHBondContact O-N 3.02Å; A74-V76 HydrophobicContact CB-CG1 4.34Å; A74-V76 HydrophobicContact CB-CG2 3.89Å; A74-V76 PolarHBondContact O-N 2.85Å; A74-R107 VanDerWaalsContact O-CZ 3.23Å; A74-R107 PolarHBondContact O-NE 3.06Å; A74-R107 PolarHBondContact O-NH2 3.22Å | ||
| 75 | D | 91.2 | Very high | 94.6 | Very high | 143 Ų | 143 | 47.6 Ų | 47.6 | 77% | 0.765 | 26% | 0.26 | S | S | * | . | trans | -82.3 | 67.2 | 175.1 | -167.4 | 22.3 | 0 | 0 | 0 | 109.9 | ||||
| 76 | V | 94.7 | Very high | 94.5 | Very high | 6 Ų | 6 | 49.9 Ų | 49.9 | 4% | 0.036 | 26% | 0.262 | C | S | . | . | trans | -128.3 | 149.1 | -177.9 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | S33 A35 E61 A74 I79 | S33-V76 WeakPolarHBondContact OG-CA 3.45Å; A35-V76 HydrophobicContact CB-CG1 4.42Å; A35-V76 HydrophobicContact CB-CG2 3.73Å; E61-V76 HydrophobicContact CB-CG1 4.32Å; A74-V76 HydrophobicContact CB-CG1 4.34Å; A74-V76 HydrophobicContact CB-CG2 3.89Å; A74-V76 PolarHBondContact O-N 2.85Å; V76-I79 HydrophobicContact CG2-CD1 3.55Å | ||
| 77 | K | 95.7 | Very high | 94.4 | Very high | 94 Ų | 94 | 53.1 Ų | 53.1 | 41% | 0.409 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -76.9 | -41.8 | 177.2 | -178.6 | -177.8 | 167.4 | -151.9 | 0 | 112.3 | A31 S33 R107 D108 | A31-K77 PolarHBondContact O-NZ 2.95Å; S33-K77 PolarHBondContact O-N 3.19Å; S33-K77 PolarHBondContact OG-N 3.45Å; S33-K77 VanDerWaalsContact OG-N 3.13Å; K77-R107 WeakPolarHBondContact O-CA 3.31Å; K77-D108 VanDerWaalsContact CE-OD2 3.28Å; K77-D108 WeakPolarHBondContact CE-OD2 3.33Å; K77-D108 IonicContact NZ-OD2 3.34Å; K77-D108 PolarHBondContact O-N 2.86Å |
| 78 | N | 97.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.011 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 132.1 | -171.8 | -52.2 | -89.5 | 0 | 0 | 0 | 111 | C30 A31 G32 S33 K34 A35 D108 H110 | C30-N78 HydrophobicContact CB-CB 4.41Å; C30-N78 PolarHBondContact O-ND2 3.41Å; A31-N78 PolarHBondContact O-ND2 2.8Å; G32-N78 PolarHBondContact O-ND2 2.83Å; S33-N78 PolarHBondContact O-N 2.91Å; S33-N78 PolarHBondContact O-ND2 2.83Å; S33-N78 VanDerWaalsContact O-ND2 3.08Å; K34-N78 CarbonylContact C-O 3.08Å; K34-N78 WeakPolarHBondContact CA-O 3.39Å; K34-N78 HydrophobicContact CB-CB 4.48Å; K34-N78 HydrophobicContact CG-CB 4.23Å; A35-N78 PolarHBondContact N-O 2.96Å; N78-D108 CarbonylContact C-O 3.53Å; N78-D108 WeakPolarHBondContact CA-O 3.12Å; N78-H110 PolarHBondContact OD1-NE2 3.41Å |
| 79 | I | 97.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 120.5 | 169.7 | -57.8 | -60.3 | 0 | 0 | 0 | 108.2 | A35 V37 L71 V76 F81 R107 D108 F109 H110 | A35-I79 HydrophobicContact CB-CD1 3.88Å; V37-I79 HydrophobicContact CG2-CG2 3.84Å; L71-I79 HydrophobicContact CD1-CG2 3.79Å; V76-I79 HydrophobicContact CG2-CD1 3.55Å; I79-F81 HydrophobicContact CG2-CD2 4.46Å; I79-F81 HydrophobicContact CG2-CE2 3.92Å; I79-F81 HydrophobicContact CG2-CZ 4.04Å; I79-R107 HydrophobicContact CG1-CB 4.24Å; I79-D108 PolarHBondContact N-O 3.36Å; I79-F109 HydrophobicContact CB-CD1 3.72Å; I79-F109 HydrophobicContact CB-CE1 3.91Å; I79-F109 HydrophobicContact CG1-CD1 4.33Å; I79-F109 HydrophobicContact CG1-CE1 4.06Å; I79-F109 HydrophobicContact CG2-CD1 3.97Å; I79-F109 HydrophobicContact CG2-CE1 4.07Å; I79-F109 WeakPolarHBondContact O-CA 3.32Å; I79-H110 PolarHBondContact O-N 3.26Å |
| 80 | I | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 117.1 | -175.7 | -44.5 | 176.7 | 0 | 0 | 0 | 110.2 | F26 L27 C30 K34 A35 I36 V37 F82 H110 | F26-I80 HydrophobicContact CE1-CG2 3.72Å; F26-I80 HydrophobicContact CZ-CG2 3.85Å; L27-I80 HydrophobicContact CD2-CD1 4.07Å; C30-I80 HydrophobicContact CB-CD1 3.9Å; K34-I80 HydrophobicContact CB-CD1 4.3Å; K34-I80 HydrophobicContact CD-CD1 3.98Å; K34-I80 HydrophobicContact CG-CD1 4.33Å; A35-I80 PolarHBondContact O-N 2.91Å; I36-I80 CarbonylContact C-O 3.55Å; I36-I80 WeakPolarHBondContact CA-O 3.46Å; V37-I80 PolarHBondContact N-O 2.86Å; I80-F82 HydrophobicContact CB-CD1 4.37Å; I80-F82 HydrophobicContact CB-CE1 4.07Å; I80-F82 HydrophobicContact CG2-CD1 3.77Å; I80-F82 HydrophobicContact CG2-CE1 3.47Å; I80-F82 VanDerWaalsContact CG2-CE1 3.47Å; I80-H110 WeakPolarHBondContact CA-O 3.44Å; I80-H110 HydrophobicContact CB-CB 4.4Å; I80-H110 HydrophobicContact CG1-CB 4.17Å; I80-H110 HydrophobicContact CG2-CB 4Å |
| 81 | F | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 117.4 | 175.9 | -62.4 | -89.1 | 0 | 0 | 0 | 110.2 | V37 L66 L71 I79 V83 I93 N96 V97 F109 H110 I111 L112 F134 | V37-F81 HydrophobicContact CB-CD1 3.63Å; V37-F81 HydrophobicContact CB-CE1 3.93Å; V37-F81 HydrophobicContact CB-CG 4.37Å; V37-F81 HydrophobicContact CG1-CD1 3.76Å; V37-F81 HydrophobicContact CG1-CE1 3.87Å; V37-F81 HydrophobicContact CG2-CD1 4.2Å; V37-F81 HydrophobicContact CG2-CE1 4.06Å; V37-F81 WeakPolarHBondContact O-CA 3.43Å; L66-F81 HydrophobicContact CD1-CD1 4.09Å; L66-F81 HydrophobicContact CD1-CE1 4.13Å; L71-F81 HydrophobicContact CD1-CZ 4.21Å; I79-F81 HydrophobicContact CG2-CD2 4.46Å; I79-F81 HydrophobicContact CG2-CE2 3.92Å; I79-F81 HydrophobicContact CG2-CZ 4.04Å; F81-V83 HydrophobicContact CB-CG1 4.23Å; F81-I93 HydrophobicContact CB-CD1 4.31Å; F81-I93 HydrophobicContact CD1-CD1 4.43Å; F81-I93 HydrophobicContact CD1-CG1 3.82Å; F81-I93 HydrophobicContact CD1-CG2 4.27Å; F81-I93 HydrophobicContact CD2-CG2 4.23Å; F81-I93 HydrophobicContact CE1-CG1 4.2Å; F81-I93 HydrophobicContact CE1-CG2 4.23Å; F81-I93 HydrophobicContact CE2-CG2 4.16Å; F81-I93 HydrophobicContact CG-CD1 4.45Å; F81-I93 HydrophobicContact CG-CG1 4.26Å; F81-I93 HydrophobicContact CG-CG2 4.26Å; F81-I93 HydrophobicContact CZ-CG2 4.18Å; F81-N96 HydrophobicContact CE1-CB 4.27Å; F81-N96 HydrophobicContact CZ-CB 4.18Å; F81-V97 HydrophobicContact CE2-CG2 4.21Å; F81-V97 HydrophobicContact CZ-CG2 4.28Å; F81-F109 AromaticContact CE2-CD1 3.78Å; F81-F109 HydrophobicContact CE2-CD1 3.78Å; F81-F109 HydrophobicContact CE2-CE1 4.4Å; F81-F109 HydrophobicContact CZ-CD1 4.4Å; F81-H110 WeakPolarHBondContact CD2-O 3.39Å; F81-H110 PolarHBondContact N-O 2.81Å; F81-I111 HydrophobicContact CB-CG1 4.32Å; F81-L112 PolarHBondContact O-N 2.67Å; F81-F134 AromaticContact CD2-CE1 3.76Å; F81-F134 HydrophobicContact CD2-CE1 3.76Å; F81-F134 HydrophobicContact CD2-CZ 4.44Å; F81-F134 AromaticContact CE2-CE1 3.93Å; F81-F134 HydrophobicContact CE2-CE1 3.93Å; F81-F134 HydrophobicContact CE2-CZ 4.39Å |
| 82 | F | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 108.2 | 174.3 | -81.5 | 44 | 0 | 0 | 0 | 107.6 | L23 F26 L27 I36 V37 W38 D39 F46 I80 L112 | L23-F82 HydrophobicContact CD1-CE2 3.77Å; L23-F82 HydrophobicContact CD1-CZ 3.87Å; F26-F82 HydrophobicContact CE1-CE1 4.22Å; L27-F82 HydrophobicContact CD2-CZ 4.19Å; I36-F82 HydrophobicContact CD1-CE1 3.96Å; I36-F82 HydrophobicContact CD1-CE2 4.24Å; I36-F82 HydrophobicContact CD1-CZ 3.78Å; I36-F82 HydrophobicContact CG1-CD1 4.45Å; I36-F82 HydrophobicContact CG1-CE1 4.02Å; I36-F82 HydrophobicContact CG1-CZ 4.36Å; I36-F82 HydrophobicContact CG2-CB 4.12Å; I36-F82 HydrophobicContact CG2-CD1 3.55Å; I36-F82 HydrophobicContact CG2-CD2 4.29Å; I36-F82 HydrophobicContact CG2-CE1 3.97Å; I36-F82 HydrophobicContact CG2-CG 3.74Å; V37-F82 PolarHBondContact O-N 3.49Å; W38-F82 HydrophobicContact CD2-CB 4.47Å; W38-F82 HydrophobicContact CE3-CB 3.87Å; W38-F82 HydrophobicContact CE3-CD2 4.16Å; W38-F82 HydrophobicContact CE3-CG 4.36Å; W38-F82 AromaticContact CH2-CD2 3.6Å; W38-F82 HydrophobicContact CH2-CD2 3.6Å; W38-F82 AromaticContact CH2-CE2 3.96Å; W38-F82 HydrophobicContact CH2-CE2 3.96Å; W38-F82 HydrophobicContact CH2-CG 4.4Å; W38-F82 HydrophobicContact CZ2-CD2 4.38Å; W38-F82 HydrophobicContact CZ3-CB 4.03Å; W38-F82 AromaticContact CZ3-CD2 3.47Å; W38-F82 HydrophobicContact CZ3-CD2 3.47Å; W38-F82 VanDerWaalsContact CZ3-CD2 3.47Å; W38-F82 HydrophobicContact CZ3-CE2 4.28Å; W38-F82 HydrophobicContact CZ3-CG 4.11Å; D39-F82 WeakPolarHBondContact CB-O 3.21Å; D39-F82 PolarHBondContact N-O 3.2Å; F46-F82 HydrophobicContact CD1-CD2 4.46Å; F46-F82 HydrophobicContact CD1-CE2 4.41Å; F46-F82 AromaticContact CE1-CD2 3.82Å; F46-F82 HydrophobicContact CE1-CD2 3.82Å; F46-F82 AromaticContact CE1-CE2 3.72Å; F46-F82 HydrophobicContact CE1-CE2 3.72Å; F46-F82 HydrophobicContact CE2-CD2 4.42Å; F46-F82 AromaticContact CZ-CD2 3.77Å; F46-F82 HydrophobicContact CZ-CD2 3.77Å; F46-F82 HydrophobicContact CZ-CE2 4.07Å; I80-F82 HydrophobicContact CB-CD1 4.37Å; I80-F82 HydrophobicContact CB-CE1 4.07Å; I80-F82 HydrophobicContact CG2-CD1 3.77Å; I80-F82 HydrophobicContact CG2-CE1 3.47Å; I80-F82 VanDerWaalsContact CG2-CE1 3.47Å; F82-L112 HydrophobicContact CD1-CB 4.14Å; F82-L112 HydrophobicContact CD1-CD2 4.3Å; F82-L112 HydrophobicContact CD2-CD2 4.14Å; F82-L112 HydrophobicContact CE1-CB 4.28Å; F82-L112 HydrophobicContact CE1-CD2 3.94Å; F82-L112 HydrophobicContact CE2-CD2 3.76Å; F82-L112 HydrophobicContact CG-CD2 4.4Å; F82-L112 HydrophobicContact CZ-CD2 3.64Å |
| 83 | V | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 147.1 | -167.3 | -62.3 | 0 | 0 | 0 | 0 | 113.3 | D39 L66 F81 L89 M90 I93 I111 L112 F113 V114 | D39-V83 HydrophobicContact CB-CB 4.32Å; D39-V83 HydrophobicContact CB-CG1 4.16Å; L66-V83 HydrophobicContact CD2-CG1 3.93Å; F81-V83 HydrophobicContact CB-CG1 4.23Å; V83-L89 HydrophobicContact CB-CD1 4.25Å; V83-M90 HydrophobicContact CG2-CE 3.97Å; V83-I93 HydrophobicContact CB-CD1 4.47Å; V83-I93 HydrophobicContact CG1-CD1 3.84Å; V83-I93 HydrophobicContact CG2-CD1 4.12Å; V83-I111 HydrophobicContact CG2-CD1 3.78Å; V83-I111 HydrophobicContact CG2-CG1 3.84Å; V83-L112 PolarHBondContact N-O 3.44Å; V83-L112 VanDerWaalsContact N-O 3.1Å; V83-F113 HydrophobicContact CG2-CD1 4.08Å; V83-F113 HydrophobicContact CG2-CE1 4.24Å; V83-F113 CarbonylContact O-C 3.58Å; V83-F113 WeakPolarHBondContact O-CA 3.43Å; V83-V114 PolarHBondContact O-N 2.9Å |
| 84 | R | 97.2 | Very high | 96.6 | Very high | 48 Ų | 48 | 36 Ų | 36 | 18% | 0.181 | 18% | 0.176 | C | C | . | . | trans | -69.6 | 154.9 | 163.8 | -70.3 | 173.8 | -66.4 | 170.9 | 3.5 | 110.4 | D39 Y41 L42 R86 L89 V114 | D39-R84 IonicContact OD1-CZ 2.85Å; D39-R84 IonicContact OD1-NE 3.45Å; D39-R84 IonicContact OD1-NH2 3.06Å; D39-R84 PolarHBondContact OD1-NH2 3.18Å; D39-R84 WeakPolarHBondContact OD2-CB 3.42Å; D39-R84 WeakPolarHBondContact OD2-CG 3.38Å; D39-R84 IonicContact OD2-CZ 2.76Å; D39-R84 PolarHBondContact OD2-N 3.2Å; D39-R84 IonicContact OD2-NE 3.56Å; D39-R84 PolarHBondContact OD2-NE 3.07Å; D39-R84 IonicContact OD2-NH2 3.07Å; D39-R84 PolarHBondContact OD2-NH2 3.15Å; Y41-R84 VanDerWaalsContact CD1-CZ 3.45Å; Y41-R84 VanDerWaalsContact CD1-NH1 3.33Å; Y41-R84 VanDerWaalsContact CG-NH1 3.26Å; L42-R84 HydrophobicContact CD1-CG 4.39Å; L42-R84 HydrophobicContact CD2-CG 3.88Å; L42-R84 HydrophobicContact CG-CG 4.17Å; R84-R86 HydrophobicContact CB-CG 4.28Å; R84-R86 PolarHBondContact O-N 3.42Å; R84-L89 HydrophobicContact CB-CD1 4.49Å; R84-V114 WeakPolarHBondContact CA-O 3.48Å | ||
| 85 | P | 96.1 | Very high | 96.9 | Very high | 42 Ų | 42 | 39.2 Ų | 39.2 | 27% | 0.273 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -75.6 | 59.9 | 179.7 | 31.9 | -37.2 | 0 | 0 | 0 | 112.9 | F113 V114 R116 | P85-F113 HydrophobicContact CB-CD1 4.29Å; P85-V114 VanDerWaalsContact CD-O 3.23Å; P85-V114 WeakPolarHBondContact CD-O 3.2Å; P85-R116 HydrophobicContact CG-CG 4.3Å |
| 86 | R | 95.3 | Very high | 97.2 | Very high | 104 Ų | 104 | 32.5 Ų | 32.5 | 39% | 0.392 | 15% | 0.154 | S | C | . | . | trans | -107.8 | 134.1 | 178.8 | -63.3 | -178.6 | 66.9 | 147.2 | -0.4 | 111.1 | R84 E88 L89 | R84-R86 HydrophobicContact CB-CG 4.28Å; R84-R86 PolarHBondContact O-N 3.42Å; R86-E88 VanDerWaalsContact C-N 3.35Å; R86-E88 HydrophobicContact CB-CG 4.15Å; R86-E88 IonicContact CZ-OE1 2.68Å; R86-E88 IonicContact CZ-OE2 3.37Å; R86-E88 IonicContact NE-OE1 3.34Å; R86-E88 PolarHBondContact NE-OE1 3.15Å; R86-E88 IonicContact NE-OE2 3.03Å; R86-E88 PolarHBondContact NE-OE2 3.23Å; R86-E88 IonicContact NH2-OE1 3.93Å; R86-E88 PolarHBondContact NH2-OE1 3.41Å; R86-E88 IonicContact NH2-OE2 2.76Å; R86-E88 PolarHBondContact NH2-OE2 2.95Å; R86-E88 PolarHBondContact O-N 2.74Å; R86-L89 HydrophobicContact CB-CD1 4.06Å; R86-L89 HydrophobicContact CB-CG 4.03Å; R86-L89 PolarHBondContact O-N 3.26Å | ||
| 87 | L | 96.3 | Very high | 97.2 | Very high | 86 Ų | 86 | 32.9 Ų | 32.9 | 45% | 0.45 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -61.2 | -41 | -177.8 | -67.8 | 178.9 | 0 | 0 | 0 | 112.9 | L89 M90 D91 L120 R124 | L87-L89 PolarHBondContact O-N 3.4Å; L87-M90 VanDerWaalsContact O-CB 3.31Å; L87-M90 WeakPolarHBondContact O-CB 3.44Å; L87-M90 PolarHBondContact O-N 3.1Å; L87-D91 PolarHBondContact O-N 3.43Å; L87-L120 HydrophobicContact CD2-CB 4.04Å; L87-R124 HydrophobicContact CD2-CB 3.98Å; L87-R124 HydrophobicContact CD2-CG 4.46Å |
| 88 | E | 95.7 | Very high | 97.2 | Very high | 99 Ų | 99 | 33.8 Ų | 33.8 | 46% | 0.463 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -57.8 | -31.7 | 177.8 | 68.6 | -161.1 | -142.8 | 0 | 0 | 113.1 | R86 M90 | R86-E88 VanDerWaalsContact C-N 3.35Å; R86-E88 HydrophobicContact CB-CG 4.15Å; R86-E88 IonicContact CZ-OE1 2.68Å; R86-E88 IonicContact CZ-OE2 3.37Å; R86-E88 IonicContact NE-OE1 3.34Å; R86-E88 PolarHBondContact NE-OE1 3.15Å; R86-E88 IonicContact NE-OE2 3.03Å; R86-E88 PolarHBondContact NE-OE2 3.23Å; R86-E88 IonicContact NH2-OE1 3.93Å; R86-E88 PolarHBondContact NH2-OE1 3.41Å; R86-E88 IonicContact NH2-OE2 2.76Å; R86-E88 PolarHBondContact NH2-OE2 2.95Å; R86-E88 PolarHBondContact O-N 2.74Å; E88-M90 VanDerWaalsContact C-N 3.33Å |
| 89 | L | 97.8 | Very high | 96.9 | Very high | 13 Ų | 13 | 35.7 Ų | 35.7 | 7% | 0.068 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -74 | -28.5 | 177.6 | -59.9 | 179.7 | 0 | 0 | 0 | 111.3 | D39 L66 V83 R84 R86 L87 D91 I92 I93 | D39-L89 HydrophobicContact CB-CD1 4.16Å; D39-L89 WeakPolarHBondContact OD2-CD1 3.25Å; L66-L89 HydrophobicContact CD2-CB 4.24Å; L66-L89 HydrophobicContact CD2-CD2 4.06Å; V83-L89 HydrophobicContact CB-CD1 4.25Å; R84-L89 HydrophobicContact CB-CD1 4.49Å; R86-L89 HydrophobicContact CB-CD1 4.06Å; R86-L89 HydrophobicContact CB-CG 4.03Å; R86-L89 PolarHBondContact O-N 3.26Å; L87-L89 PolarHBondContact O-N 3.4Å; L89-D91 VanDerWaalsContact C-N 3.3Å; L89-D91 PolarHBondContact O-N 2.82Å; L89-I92 HydrophobicContact CD2-CD1 4.42Å; L89-I92 PolarHBondContact O-N 3.09Å; L89-I93 WeakPolarHBondContact O-CD1 3.48Å; L89-I93 WeakPolarHBondContact O-CG1 3.46Å; L89-I93 PolarHBondContact O-N 2.95Å |
| 90 | M | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.1 | -33.7 | 179.1 | -56.9 | -57.1 | 100.7 | 0 | 0 | 111.4 | V83 L87 E88 I93 A94 I111 F113 C121 R124 L125 | V83-M90 HydrophobicContact CG2-CE 3.97Å; L87-M90 VanDerWaalsContact O-CB 3.31Å; L87-M90 WeakPolarHBondContact O-CB 3.44Å; L87-M90 PolarHBondContact O-N 3.1Å; E88-M90 VanDerWaalsContact C-N 3.33Å; M90-I93 HydrophobicContact CE-CD1 3.57Å; M90-I93 PolarHBondContact O-N 3.32Å; M90-I93 HydrophobicContact SD-CD1 4.28Å; M90-A94 WeakPolarHBondContact O-CB 3.5Å; M90-A94 PolarHBondContact O-N 2.71Å; M90-I111 HydrophobicContact CE-CD1 4.31Å; M90-I111 HydrophobicContact SD-CD1 4.2Å; M90-F113 HydrophobicContact CE-CE1 3.98Å; M90-F113 HydrophobicContact SD-CE1 3.98Å; M90-F113 HydrophobicContact SD-CZ 4.16Å; M90-C121 HydrophobicContact CG-CB 3.78Å; M90-C121 HydrophobicContact SD-CB 3.69Å; M90-R124 HydrophobicContact CB-CB 4.28Å; M90-R124 HydrophobicContact CB-CG 3.89Å; M90-L125 HydrophobicContact CB-CD2 3.95Å; M90-L125 HydrophobicContact CB-CG 4.15Å; M90-L125 HydrophobicContact CG-CD2 4.49Å; M90-L125 HydrophobicContact CG-CG 4.28Å; M90-L125 HydrophobicContact SD-CD1 3.77Å; M90-L125 HydrophobicContact SD-CD2 4.09Å; M90-L125 HydrophobicContact SD-CG 3.83Å |
| 91 | D | 97.9 | Very high | 95.4 | Very high | 61 Ų | 61 | 40.2 Ų | 40.2 | 33% | 0.326 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.4 | -45.9 | 174.9 | -65 | -38.9 | 0 | 0 | 0 | 111 | L87 L89 A94 E95 R124 L128 | L87-D91 PolarHBondContact O-N 3.43Å; L89-D91 VanDerWaalsContact C-N 3.3Å; L89-D91 PolarHBondContact O-N 2.82Å; D91-A94 PolarHBondContact O-N 2.96Å; D91-E95 PolarHBondContact O-N 3.44Å; D91-R124 IonicContact OD1-CZ 2.65Å; D91-R124 IonicContact OD1-NE 3.53Å; D91-R124 PolarHBondContact OD1-NE 2.78Å; D91-R124 IonicContact OD1-NH2 3.88Å; D91-R124 PolarHBondContact OD1-NH2 2.68Å; D91-R124 IonicContact OD2-NH2 3.72Å; D91-L128 WeakPolarHBondContact OD1-CD1 3.41Å |
| 92 | I | 98.1 | Very high | 94.4 | Very high | 48 Ų | 48 | 51.5 Ų | 51.5 | 25% | 0.246 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.4 | -44.4 | 178.3 | -56.5 | 171.1 | 0 | 0 | 0 | 111 | L66 K67 L89 A94 E95 N96 | L66-I92 HydrophobicContact CD1-CB 4.43Å; L66-I92 HydrophobicContact CD1-CG2 3.74Å; L66-I92 HydrophobicContact CG-CB 4.42Å; L66-I92 HydrophobicContact CG-CG2 3.85Å; K67-I92 VanDerWaalsContact C-CG2 3.41Å; L89-I92 HydrophobicContact CD2-CD1 4.42Å; L89-I92 PolarHBondContact O-N 3.09Å; I92-A94 VanDerWaalsContact C-N 3.33Å; I92-A94 PolarHBondContact O-N 3.25Å; I92-E95 WeakPolarHBondContact O-CB 3.33Å; I92-E95 PolarHBondContact O-N 3.4Å; I92-N96 PolarHBondContact O-N 3.15Å; I92-N96 PolarHBondContact O-OD1 3.38Å |
| 93 | I | 98.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 177.6 | -69.1 | 167.6 | 0 | 0 | 0 | 110.7 | L66 F81 V83 L89 M90 E95 N96 V97 I111 L125 F134 | L66-I93 HydrophobicContact CD1-CG1 3.94Å; L66-I93 HydrophobicContact CD2-CD1 4.49Å; L66-I93 HydrophobicContact CD2-CG1 4.04Å; F81-I93 HydrophobicContact CB-CD1 4.31Å; F81-I93 HydrophobicContact CD1-CD1 4.43Å; F81-I93 HydrophobicContact CD1-CG1 3.82Å; F81-I93 HydrophobicContact CD1-CG2 4.27Å; F81-I93 HydrophobicContact CD2-CG2 4.23Å; F81-I93 HydrophobicContact CE1-CG1 4.2Å; F81-I93 HydrophobicContact CE1-CG2 4.23Å; F81-I93 HydrophobicContact CE2-CG2 4.16Å; F81-I93 HydrophobicContact CG-CD1 4.45Å; F81-I93 HydrophobicContact CG-CG1 4.26Å; F81-I93 HydrophobicContact CG-CG2 4.26Å; F81-I93 HydrophobicContact CZ-CG2 4.18Å; V83-I93 HydrophobicContact CB-CD1 4.47Å; V83-I93 HydrophobicContact CG1-CD1 3.84Å; V83-I93 HydrophobicContact CG2-CD1 4.12Å; L89-I93 WeakPolarHBondContact O-CD1 3.48Å; L89-I93 WeakPolarHBondContact O-CG1 3.46Å; L89-I93 PolarHBondContact O-N 2.95Å; M90-I93 HydrophobicContact CE-CD1 3.57Å; M90-I93 PolarHBondContact O-N 3.32Å; M90-I93 HydrophobicContact SD-CD1 4.28Å; I93-E95 VanDerWaalsContact C-N 3.31Å; I93-E95 PolarHBondContact O-N 3.48Å; I93-N96 WeakPolarHBondContact O-CB 3.35Å; I93-N96 PolarHBondContact O-N 3.29Å; I93-V97 HydrophobicContact CG2-CG2 4.46Å; I93-V97 WeakPolarHBondContact O-CG2 3.41Å; I93-V97 PolarHBondContact O-N 3.3Å; I93-I111 HydrophobicContact CD1-CD1 3.96Å; I93-L125 HydrophobicContact CG2-CD2 4.29Å; I93-F134 HydrophobicContact CG2-CE1 4.29Å; I93-F134 HydrophobicContact CG2-CE2 4.44Å; I93-F134 HydrophobicContact CG2-CZ 3.54Å |
| 94 | A | 97.5 | Very high | 92.2 | Very high | 3 Ų | 3 | 64.4 Ų | 64.4 | 3% | 0.025 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | M90 D91 I92 N96 V97 L98 L128 V130 | M90-A94 WeakPolarHBondContact O-CB 3.5Å; M90-A94 PolarHBondContact O-N 2.71Å; D91-A94 PolarHBondContact O-N 2.96Å; I92-A94 VanDerWaalsContact C-N 3.33Å; I92-A94 PolarHBondContact O-N 3.25Å; A94-N96 PolarHBondContact O-N 3.19Å; A94-V97 PolarHBondContact O-N 3.28Å; A94-L98 WeakPolarHBondContact O-CB 3.34Å; A94-L98 WeakPolarHBondContact O-CG 3.4Å; A94-L98 PolarHBondContact O-N 3.25Å; A94-L128 HydrophobicContact CB-CB 3.88Å; A94-L128 HydrophobicContact CB-CD1 3.55Å; A94-L128 HydrophobicContact CB-CG 4.27Å; A94-V130 HydrophobicContact CB-CB 4.49Å; A94-V130 HydrophobicContact CB-CG1 4.1Å; A94-V130 HydrophobicContact CB-CG2 3.63Å |
| 95 | E | 96.8 | Very high | 91.3 | Very high | 75 Ų | 75 | 66.5 Ų | 66.5 | 35% | 0.35 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59 | -44.6 | 174.2 | -166.5 | -169.9 | 167.8 | 0 | 0 | 111.9 | G68 N69 D91 I92 I93 L98 S99 | G68-E95 VanDerWaalsContact CA-OE2 3.27Å; G68-E95 WeakPolarHBondContact CA-OE2 3.31Å; N69-E95 WeakPolarHBondContact CA-OE1 3.47Å; N69-E95 PolarHBondContact N-OE1 2.9Å; N69-E95 PolarHBondContact N-OE2 2.87Å; N69-E95 PolarHBondContact OD1-OE1 2.83Å; D91-E95 PolarHBondContact O-N 3.44Å; I92-E95 WeakPolarHBondContact O-CB 3.33Å; I92-E95 PolarHBondContact O-N 3.4Å; I93-E95 VanDerWaalsContact C-N 3.31Å; I93-E95 PolarHBondContact O-N 3.48Å; E95-L98 PolarHBondContact O-N 2.93Å; E95-S99 WeakPolarHBondContact O-CB 3.43Å; E95-S99 PolarHBondContact O-N 3.36Å; E95-S99 PolarHBondContact O-OG 3.32Å |
| 96 | N | 96.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.9 | -49.8 | 176.4 | -65.4 | 154.8 | 0 | 0 | 0 | 111.9 | L66 K67 N69 L71 F81 I92 I93 A94 L98 S99 E100 | L66-N96 WeakPolarHBondContact CD1-OD1 3.48Å; K67-N96 PolarHBondContact O-ND2 2.98Å; N69-N96 PolarHBondContact O-ND2 2.71Å; L71-N96 HydrophobicContact CD1-CB 4.41Å; L71-N96 HydrophobicContact CD2-CB 4.36Å; L71-N96 HydrophobicContact CG-CB 4.07Å; F81-N96 HydrophobicContact CE1-CB 4.27Å; F81-N96 HydrophobicContact CZ-CB 4.18Å; I92-N96 PolarHBondContact O-N 3.15Å; I92-N96 PolarHBondContact O-OD1 3.38Å; I93-N96 WeakPolarHBondContact O-CB 3.35Å; I93-N96 PolarHBondContact O-N 3.29Å; A94-N96 PolarHBondContact O-N 3.19Å; N96-L98 PolarHBondContact O-N 2.97Å; N96-S99 PolarHBondContact O-N 3.1Å; N96-E100 PolarHBondContact O-N 2.88Å |
| 97 | V | 95.4 | Very high | 90.6 | Very high | 15 Ų | 15 | 67.8 Ų | 67.8 | 9% | 0.091 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64 | -41 | -178.1 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | F81 I93 A94 S99 E100 F109 V130 F134 | F81-V97 HydrophobicContact CE2-CG2 4.21Å; F81-V97 HydrophobicContact CZ-CG2 4.28Å; I93-V97 HydrophobicContact CG2-CG2 4.46Å; I93-V97 WeakPolarHBondContact O-CG2 3.41Å; I93-V97 PolarHBondContact O-N 3.3Å; A94-V97 PolarHBondContact O-N 3.28Å; V97-S99 VanDerWaalsContact C-N 3.34Å; V97-E100 WeakPolarHBondContact O-CB 3.48Å; V97-F109 HydrophobicContact CG1-CD2 4.44Å; V97-F109 HydrophobicContact CG1-CE2 4.32Å; V97-F109 HydrophobicContact CG2-CD1 4.12Å; V97-F109 HydrophobicContact CG2-CE1 4.21Å; V97-F109 HydrophobicContact CG2-CG 4.32Å; V97-F109 HydrophobicContact CG2-CZ 4.5Å; V97-V130 HydrophobicContact CB-CG1 4.32Å; V97-V130 HydrophobicContact CG1-CB 4.31Å; V97-V130 HydrophobicContact CG1-CG1 4.15Å; V97-F134 HydrophobicContact CG2-CZ 3.92Å |
| 98 | L | 94.3 | Very high | 90.6 | Very high | 113 Ų | 113 | 66 Ų | 66 | 59% | 0.592 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -72.5 | -26.8 | 179.1 | -68.2 | 170.5 | 0 | 0 | 0 | 113.1 | A94 E95 N96 E100 V130 | A94-L98 WeakPolarHBondContact O-CB 3.34Å; A94-L98 WeakPolarHBondContact O-CG 3.4Å; A94-L98 PolarHBondContact O-N 3.25Å; E95-L98 PolarHBondContact O-N 2.93Å; N96-L98 PolarHBondContact O-N 2.97Å; L98-E100 VanDerWaalsContact C-N 3.29Å; L98-V130 HydrophobicContact CD1-CG1 4.11Å; L98-V130 HydrophobicContact CD2-CG1 3.86Å; L98-V130 HydrophobicContact CG-CG1 3.69Å |
| 99 | S | 92.6 | Very high | 90.6 | Very high | 41 Ų | 41 | 62.1 Ų | 62.1 | 29% | 0.287 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -1.8 | -179.9 | -60.3 | 0 | 0 | 0 | 0 | 114.1 | R70 E95 N96 V97 | R70-S99 PolarHBondContact NE-O 2.93Å; E95-S99 WeakPolarHBondContact O-CB 3.43Å; E95-S99 PolarHBondContact O-N 3.36Å; E95-S99 PolarHBondContact O-OG 3.32Å; N96-S99 PolarHBondContact O-N 3.1Å; V97-S99 VanDerWaalsContact C-N 3.34Å |
| 100 | E | 87.2 | Confident | 90.7 | Very high | 35 Ų | 35 | 61.7 Ų | 61.7 | 16% | 0.164 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -64.5 | 143.8 | -176 | -162.6 | 69.4 | 167.4 | 0 | 0 | 112.2 | N96 V97 L98 R102 R107 F109 | N96-E100 PolarHBondContact O-N 2.88Å; V97-E100 WeakPolarHBondContact O-CB 3.48Å; L98-E100 VanDerWaalsContact C-N 3.29Å; E100-R102 PolarHBondContact O-N 3.1Å; E100-R102 VanDerWaalsContact O-N 3.11Å; E100-R107 WeakPolarHBondContact OE1-CD 3.4Å; E100-R107 IonicContact OE1-CZ 3.2Å; E100-R107 VanDerWaalsContact OE1-CZ 3.26Å; E100-R107 IonicContact OE1-NE 3.26Å; E100-R107 IonicContact OE1-NH1 2.87Å; E100-R107 PolarHBondContact OE1-NH1 2.73Å; E100-R107 IonicContact OE2-NH1 3.77Å; E100-F109 HydrophobicContact CB-CZ 4.34Å; E100-F109 HydrophobicContact CG-CZ 4.03Å |
| 101 | D | 77.6 | Confident | 90.7 | Very high | 60 Ų | 60 | 61.7 Ų | 61.7 | 32% | 0.321 | 31% | 0.308 | S | S | . | . | trans | -71.8 | 107.8 | -179.6 | -150.8 | -31.6 | 0 | 0 | 0 | 111.8 | R70 R103 G104 | R70-D101 VanDerWaalsContact CZ-CB 3.48Å; R70-D101 IonicContact CZ-OD2 2.76Å; R70-D101 IonicContact NH1-OD2 3.94Å; R70-D101 PolarHBondContact NH1-OD2 3.05Å; R70-D101 IonicContact NH2-OD1 3.46Å; R70-D101 IonicContact NH2-OD2 3.8Å; R70-D101 PolarHBondContact NH2-OD2 3.33Å; D101-R103 PolarHBondContact O-N 2.68Å; D101-R103 VanDerWaalsContact O-N 3.08Å; D101-R103 VanDerWaalsContact OD1-CB 3.27Å; D101-R103 WeakPolarHBondContact OD1-CB 3.39Å; D101-R103 PolarHBondContact OD1-N 2.77Å; D101-G104 PolarHBondContact O-N 3.32Å | ||
| 102 | R | 76.5 | Confident | 90.7 | Very high | 238 Ų | 238 | 58.8 Ų | 58.8 | 90% | 0.898 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -11.8 | 172.6 | -60.9 | -174.7 | -176.6 | -175.7 | 0.7 | 113.3 | E100 | E100-R102 PolarHBondContact O-N 3.1Å; E100-R102 VanDerWaalsContact O-N 3.11Å |
| 103 | R | 77.3 | Confident | 90.7 | Very high | 237 Ų | 237 | 56.5 Ų | 56.5 | 89% | 0.894 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -15.3 | 173.6 | -56.6 | 178.6 | 179.7 | -179.8 | 0.8 | 113.1 | D101 | D101-R103 PolarHBondContact O-N 2.68Å; D101-R103 VanDerWaalsContact O-N 3.08Å; D101-R103 VanDerWaalsContact OD1-CB 3.27Å; D101-R103 WeakPolarHBondContact OD1-CB 3.39Å; D101-R103 PolarHBondContact OD1-N 2.77Å |
| 104 | G | 73.1 | Confident | 90.7 | Very high | 34 Ų | 34 | 56.8 Ų | 56.8 | 35% | 0.351 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -80 | 173.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | D101 | D101-G104 PolarHBondContact O-N 3.32Š|
| 105 | P | 78.1 | Confident | 90.6 | Very high | 92 Ų | 92 | 58 Ų | 58 | 60% | 0.597 | 29% | 0.29 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 139.7 | 169.9 | 26.9 | -33.2 | 0 | 0 | 0 | 110.1 | R107 | P105-R107 PolarHBondContact O-N 2.97Š|
| 106 | T | 85.7 | Confident | 90.5 | Very high | 135 Ų | 135 | 58.7 Ų | 58.7 | 83% | 0.828 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 126.8 | 174.6 | -50.6 | 0 | 0 | 0 | 0 | 109.6 | ||
| 107 | R | 91.2 | Very high | 90.5 | Very high | 38 Ų | 38 | 63.2 Ų | 63.2 | 14% | 0.143 | 31% | 0.306 | C | S | . | . | trans | -106 | 146 | 174.8 | -58.2 | -170.6 | -175 | 146.5 | -0.2 | 110.7 | A74 K77 I79 E100 P105 | A74-R107 VanDerWaalsContact O-CZ 3.23Å; A74-R107 PolarHBondContact O-NE 3.06Å; A74-R107 PolarHBondContact O-NH2 3.22Å; K77-R107 WeakPolarHBondContact O-CA 3.31Å; I79-R107 HydrophobicContact CG1-CB 4.24Å; E100-R107 WeakPolarHBondContact OE1-CD 3.4Å; E100-R107 IonicContact OE1-CZ 3.2Å; E100-R107 VanDerWaalsContact OE1-CZ 3.26Å; E100-R107 IonicContact OE1-NE 3.26Å; E100-R107 IonicContact OE1-NH1 2.87Å; E100-R107 PolarHBondContact OE1-NH1 2.73Å; E100-R107 IonicContact OE2-NH1 3.77Å; P105-R107 PolarHBondContact O-N 2.97Å | ||
| 108 | D | 95.9 | Very high | 90.5 | Very high | 47 Ų | 47 | 63.5 Ų | 63.5 | 25% | 0.251 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 127.3 | 174.1 | -69.3 | -26.4 | 0 | 0 | 0 | 109.3 | K77 N78 I79 I135 | K77-D108 VanDerWaalsContact CE-OD2 3.28Å; K77-D108 WeakPolarHBondContact CE-OD2 3.33Å; K77-D108 IonicContact NZ-OD2 3.34Å; K77-D108 PolarHBondContact O-N 2.86Å; N78-D108 CarbonylContact C-O 3.53Å; N78-D108 WeakPolarHBondContact CA-O 3.12Å; I79-D108 PolarHBondContact N-O 3.36Å; D108-I135 HydrophobicContact CB-CD1 3.65Å; D108-I135 VanDerWaalsContact CG-CD1 3.45Å; D108-I135 WeakPolarHBondContact OD1-CD1 3.42Å |
| 109 | F | 97.6 | Very high | 90.6 | Very high | 19 Ų | 19 | 64.6 Ų | 64.6 | 8% | 0.083 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 139 | 179.4 | -65.7 | -77.1 | 0 | 0 | 0 | 111.5 | I79 F81 V97 E100 F134 I135 | I79-F109 HydrophobicContact CB-CD1 3.72Å; I79-F109 HydrophobicContact CB-CE1 3.91Å; I79-F109 HydrophobicContact CG1-CD1 4.33Å; I79-F109 HydrophobicContact CG1-CE1 4.06Å; I79-F109 HydrophobicContact CG2-CD1 3.97Å; I79-F109 HydrophobicContact CG2-CE1 4.07Å; I79-F109 WeakPolarHBondContact O-CA 3.32Å; F81-F109 AromaticContact CE2-CD1 3.78Å; F81-F109 HydrophobicContact CE2-CD1 3.78Å; F81-F109 HydrophobicContact CE2-CE1 4.4Å; F81-F109 HydrophobicContact CZ-CD1 4.4Å; V97-F109 HydrophobicContact CG1-CD2 4.44Å; V97-F109 HydrophobicContact CG1-CE2 4.32Å; V97-F109 HydrophobicContact CG2-CD1 4.12Å; V97-F109 HydrophobicContact CG2-CE1 4.21Å; V97-F109 HydrophobicContact CG2-CG 4.32Å; V97-F109 HydrophobicContact CG2-CZ 4.5Å; E100-F109 HydrophobicContact CB-CZ 4.34Å; E100-F109 HydrophobicContact CG-CZ 4.03Å; F109-F134 HydrophobicContact CB-CD1 3.87Å; F109-F134 HydrophobicContact CB-CE1 3.97Å; F109-F134 CarbonylContact O-C 3.6Å; F109-F134 VanDerWaalsContact O-CA 3.3Å; F109-F134 WeakPolarHBondContact O-CA 3.26Å; F109-I135 PolarHBondContact O-N 3.19Å |
| 110 | H | 98.5 | Very high | 90.8 | Very high | 3 Ų | 3 | 68.4 Ų | 68.4 | 1% | 0.014 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 151.2 | 178.8 | -48.9 | -91.2 | 0 | 0 | 0 | 110.1 | N78 I79 I80 F81 H136 | N78-H110 PolarHBondContact OD1-NE2 3.41Å; I79-H110 PolarHBondContact O-N 3.26Å; I80-H110 WeakPolarHBondContact CA-O 3.44Å; I80-H110 HydrophobicContact CB-CB 4.4Å; I80-H110 HydrophobicContact CG1-CB 4.17Å; I80-H110 HydrophobicContact CG2-CB 4Å; F81-H110 WeakPolarHBondContact CD2-O 3.39Å; F81-H110 PolarHBondContact N-O 2.81Å; H110-H136 WeakPolarHBondContact CA-O 3.21Å; H110-H136 HydrophobicContact CB-CB 4.39Å; H110-H136 AromaticContact CE1-CD2 3.58Å; H110-H136 AromaticContact ND1-CD2 3.28Å; H110-H136 PolarHBondContact ND1-CD2 2.87Å; H110-H136 VanDerWaalsContact ND1-CD2 3.28Å; H110-H136 AromaticContact ND1-CG 3.71Å |
| 111 | I | 98.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 129.3 | 174.6 | -172.7 | 164.2 | 0 | 0 | 0 | 109.8 | F81 V83 M90 I93 F113 L125 F134 H136 R137 E138 | F81-I111 HydrophobicContact CB-CG1 4.32Å; V83-I111 HydrophobicContact CG2-CD1 3.78Å; V83-I111 HydrophobicContact CG2-CG1 3.84Å; M90-I111 HydrophobicContact CE-CD1 4.31Å; M90-I111 HydrophobicContact SD-CD1 4.2Å; I93-I111 HydrophobicContact CD1-CD1 3.96Å; I111-F113 HydrophobicContact CB-CE2 4.45Å; I111-F113 HydrophobicContact CD1-CD1 4.49Å; I111-F113 HydrophobicContact CD1-CD2 4.43Å; I111-F113 HydrophobicContact CD1-CE1 3.79Å; I111-F113 HydrophobicContact CD1-CE2 3.73Å; I111-F113 HydrophobicContact CD1-CZ 3.37Å; I111-F113 HydrophobicContact CG1-CD2 4.11Å; I111-F113 HydrophobicContact CG1-CE1 4.36Å; I111-F113 HydrophobicContact CG1-CE2 3.81Å; I111-F113 HydrophobicContact CG1-CZ 3.95Å; I111-F113 HydrophobicContact CG2-CD2 4.38Å; I111-F113 HydrophobicContact CG2-CE2 3.8Å; I111-F113 HydrophobicContact CG2-CZ 4.45Å; I111-L125 HydrophobicContact CD1-CD1 4.2Å; I111-F134 HydrophobicContact CB-CD1 4.1Å; I111-F134 HydrophobicContact CB-CE1 4.23Å; I111-F134 HydrophobicContact CG2-CD1 4.14Å; I111-F134 HydrophobicContact CG2-CG 4.37Å; I111-H136 PolarHBondContact N-O 2.88Å; I111-R137 HydrophobicContact CG2-CB 3.85Å; I111-R137 HydrophobicContact CG2-CG 3.69Å; I111-R137 WeakPolarHBondContact O-CA 3.04Å; I111-E138 PolarHBondContact O-N 3.36Å |
| 112 | L | 98.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 107.2 | 174.1 | -170.4 | 66.8 | 0 | 0 | 0 | 108.5 | L23 F26 F81 F82 V83 E138 Y140 | L23-L112 HydrophobicContact CD1-CD2 4.33Å; F26-L112 HydrophobicContact CD1-CB 4.44Å; F26-L112 HydrophobicContact CD1-CD1 3.8Å; F26-L112 HydrophobicContact CD1-CD2 3.64Å; F26-L112 HydrophobicContact CD1-CG 4.16Å; F26-L112 HydrophobicContact CD2-CD1 3.83Å; F26-L112 HydrophobicContact CE1-CB 3.72Å; F26-L112 HydrophobicContact CE1-CD1 3.81Å; F26-L112 HydrophobicContact CE1-CD2 3.69Å; F26-L112 HydrophobicContact CE1-CG 3.94Å; F26-L112 HydrophobicContact CE2-CD1 3.87Å; F26-L112 HydrophobicContact CG-CD1 3.8Å; F26-L112 HydrophobicContact CG-CD2 4.38Å; F26-L112 HydrophobicContact CZ-CB 3.81Å; F26-L112 HydrophobicContact CZ-CD1 3.86Å; F26-L112 HydrophobicContact CZ-CD2 4.5Å; F26-L112 HydrophobicContact CZ-CG 4.26Å; F81-L112 PolarHBondContact O-N 2.67Å; F82-L112 HydrophobicContact CD1-CB 4.14Å; F82-L112 HydrophobicContact CD1-CD2 4.3Å; F82-L112 HydrophobicContact CD2-CD2 4.14Å; F82-L112 HydrophobicContact CE1-CB 4.28Å; F82-L112 HydrophobicContact CE1-CD2 3.94Å; F82-L112 HydrophobicContact CE2-CD2 3.76Å; F82-L112 HydrophobicContact CG-CD2 4.4Å; F82-L112 HydrophobicContact CZ-CD2 3.64Å; V83-L112 PolarHBondContact N-O 3.44Å; V83-L112 VanDerWaalsContact N-O 3.1Å; L112-E138 HydrophobicContact CD1-CB 4.06Å; L112-Y140 HydrophobicContact CD2-CG 4.33Å |
| 113 | F | 98.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 135.1 | 177.8 | -68.7 | -85.9 | 0 | 0 | 0 | 111.5 | V83 P85 M90 I111 R116 R117 C121 E138 E139 Y140 | V83-F113 HydrophobicContact CG2-CD1 4.08Å; V83-F113 HydrophobicContact CG2-CE1 4.24Å; V83-F113 CarbonylContact O-C 3.58Å; V83-F113 WeakPolarHBondContact O-CA 3.43Å; P85-F113 HydrophobicContact CB-CD1 4.29Å; M90-F113 HydrophobicContact CE-CE1 3.98Å; M90-F113 HydrophobicContact SD-CE1 3.98Å; M90-F113 HydrophobicContact SD-CZ 4.16Å; I111-F113 HydrophobicContact CB-CE2 4.45Å; I111-F113 HydrophobicContact CD1-CD1 4.49Å; I111-F113 HydrophobicContact CD1-CD2 4.43Å; I111-F113 HydrophobicContact CD1-CE1 3.79Å; I111-F113 HydrophobicContact CD1-CE2 3.73Å; I111-F113 HydrophobicContact CD1-CZ 3.37Å; I111-F113 HydrophobicContact CG1-CD2 4.11Å; I111-F113 HydrophobicContact CG1-CE1 4.36Å; I111-F113 HydrophobicContact CG1-CE2 3.81Å; I111-F113 HydrophobicContact CG1-CZ 3.95Å; I111-F113 HydrophobicContact CG2-CD2 4.38Å; I111-F113 HydrophobicContact CG2-CE2 3.8Å; I111-F113 HydrophobicContact CG2-CZ 4.45Å; F113-R116 WeakPolarHBondContact CB-O 3.38Å; F113-R117 HydrophobicContact CB-CG 4.21Å; F113-R117 HydrophobicContact CD2-CB 4.45Å; F113-R117 HydrophobicContact CD2-CG 3.62Å; F113-R117 HydrophobicContact CE2-CG 4.33Å; F113-R117 HydrophobicContact CG-CG 4.21Å; F113-C121 HydrophobicContact CE1-CB 3.73Å; F113-C121 HydrophobicContact CZ-CB 3.98Å; F113-E138 PolarHBondContact N-O 2.82Å; F113-E139 CarbonylContact O-C 3.52Å; F113-E139 VanDerWaalsContact O-CA 3.26Å; F113-E139 WeakPolarHBondContact O-CA 3.4Å; F113-Y140 PolarHBondContact O-N 3.24Å |
| 114 | V | 97.4 | Very high | 94.3 | Very high | 5 Ų | 5 | 50.8 Ų | 50.8 | 3% | 0.03 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -124.8 | 125.1 | -178.4 | -170.8 | 0 | 0 | 0 | 0 | 110.4 | L42 F46 V83 R84 P85 Y140 L142 | L42-V114 HydrophobicContact CD1-CB 3.94Å; L42-V114 HydrophobicContact CD1-CG2 3.92Å; L42-V114 HydrophobicContact CD2-CB 4.21Å; L42-V114 HydrophobicContact CD2-CG1 4.17Å; F46-V114 HydrophobicContact CE2-CG1 4.08Å; F46-V114 HydrophobicContact CE2-CG2 3.91Å; F46-V114 HydrophobicContact CZ-CG1 4.48Å; F46-V114 HydrophobicContact CZ-CG2 3.88Å; V83-V114 PolarHBondContact O-N 2.9Å; R84-V114 WeakPolarHBondContact CA-O 3.48Å; P85-V114 VanDerWaalsContact CD-O 3.23Å; P85-V114 WeakPolarHBondContact CD-O 3.2Å; V114-Y140 HydrophobicContact CG1-CD1 4.34Å; V114-Y140 HydrophobicContact CG2-CD1 4.25Å; V114-L142 HydrophobicContact CG1-CB 3.94Å; V114-L142 HydrophobicContact CG1-CD2 4.37Å |
| 115 | P | 95.8 | Very high | 95.5 | Very high | 29 Ų | 29 | 49.2 Ų | 49.2 | 19% | 0.188 | 25% | 0.247 | C | C | . | . | S | Bend | cis | -87.6 | -1.6 | -4 | 35.5 | -36.7 | 0 | 0 | 0 | 114.2 | Y140 H174 | P115-Y140 CarbonylContact C-O 3.6Å; P115-Y140 VanDerWaalsContact CA-O 3.23Å; P115-Y140 WeakPolarHBondContact CA-O 3.22Å; P115-H174 VanDerWaalsContact CG-CE1 3.47Å; P115-H174 WeakPolarHBondContact CG-CE1 3.34Å |
| 116 | R | 95.4 | Very high | 96.5 | Very high | 89 Ų | 89 | 50.9 Ų | 50.9 | 34% | 0.336 | 25% | 0.245 | S | C | . | . | trans | -146.7 | 154.8 | -174.7 | 61.7 | 171.8 | -72.6 | -177.9 | 2.5 | 113.5 | P85 F113 H174 | P85-R116 HydrophobicContact CG-CG 4.3Å; F113-R116 WeakPolarHBondContact CB-O 3.38Å; R116-H174 VanDerWaalsContact CD-CE1 3.44Å; R116-H174 WeakPolarHBondContact CD-CE1 3.42Å; R116-H174 WeakPolarHBondContact CD-NE2 3.38Å | ||
| 117 | R | 95.5 | Very high | 97.1 | Very high | 96 Ų | 96 | 49.5 Ų | 49.5 | 36% | 0.362 | 23% | 0.232 | S | C | . | . | trans | -68.9 | 151.1 | 165.8 | -81 | 169.2 | 70.5 | -160.9 | -0.8 | 111.5 | F113 E122 R137 E139 | F113-R117 HydrophobicContact CB-CG 4.21Å; F113-R117 HydrophobicContact CD2-CB 4.45Å; F113-R117 HydrophobicContact CD2-CG 3.62Å; F113-R117 HydrophobicContact CE2-CG 4.33Å; F113-R117 HydrophobicContact CG-CG 4.21Å; R117-E122 IonicContact CZ-OE1 2.69Å; R117-E122 IonicContact NE-OE1 2.7Å; R117-E122 PolarHBondContact NE-OE1 3.22Å; R117-E122 IonicContact NH2-OE1 3.44Å; R117-E122 PolarHBondContact NH2-OE1 3.47Å; R117-E122 IonicContact NH2-OE2 3.65Å; R117-E122 PolarHBondContact NH2-OE2 3.08Å; R117-R137 WeakPolarHBondContact CD-O 2.97Å; R117-R137 PolarHBondContact NE-O 2.88Å; R117-E139 HydrophobicContact CB-CB 4.5Å; R117-E139 HydrophobicContact CG-CB 3.98Å; R117-E139 PolarHBondContact N-OE2 2.87Å | ||
| 118 | S | 95 | Very high | 97.4 | Very high | 21 Ų | 21 | 50.3 Ų | 50.3 | 15% | 0.147 | 24% | 0.239 | C | C | . | . | trans | -128.7 | 122.1 | 175.6 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | L120 C121 E122 | S118-L120 PolarHBondContact O-N 3.41Å; S118-L120 PolarHBondContact OG-N 3.36Å; S118-C121 WeakPolarHBondContact O-CB 3.25Å; S118-C121 PolarHBondContact O-N 3.15Å; S118-C121 VanDerWaalsContact O-N 3.15Å; S118-C121 PolarHBondContact OG-N 3.35Å; S118-E122 PolarHBondContact O-N 3.32Å | ||
| 119 | L | 96.3 | Very high | 97.5 | Very high | 137 Ų | 137 | 51.1 Ų | 51.1 | 72% | 0.717 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60 | -33.6 | 174.7 | -176.6 | 64.6 | 0 | 0 | 0 | 111.5 | E122 Q123 | L119-E122 PolarHBondContact O-N 3.09Å; L119-Q123 WeakPolarHBondContact O-CB 3.39Å; L119-Q123 PolarHBondContact O-N 3.15Å |
| 120 | L | 97.1 | Very high | 97.5 | Very high | 120 Ų | 120 | 50.2 Ų | 50.2 | 63% | 0.628 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -66.8 | -39.9 | 177 | -61.7 | 177.2 | 0 | 0 | 0 | 111.5 | L87 S118 Q123 R124 | L87-L120 HydrophobicContact CD2-CB 4.04Å; S118-L120 PolarHBondContact O-N 3.41Å; S118-L120 PolarHBondContact OG-N 3.36Å; L120-Q123 PolarHBondContact O-N 2.71Å; L120-R124 WeakPolarHBondContact O-CB 3.37Å; L120-R124 PolarHBondContact O-N 2.98Å |
| 121 | C | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.6 | -43 | 175.2 | -72.3 | 0 | 0 | 0 | 0 | 111.7 | M90 F113 S118 Q123 R124 L125 | M90-C121 HydrophobicContact CG-CB 3.78Å; M90-C121 HydrophobicContact SD-CB 3.69Å; F113-C121 HydrophobicContact CE1-CB 3.73Å; F113-C121 HydrophobicContact CZ-CB 3.98Å; S118-C121 WeakPolarHBondContact O-CB 3.25Å; S118-C121 PolarHBondContact O-N 3.15Å; S118-C121 VanDerWaalsContact O-N 3.15Å; S118-C121 PolarHBondContact OG-N 3.35Å; C121-Q123 VanDerWaalsContact C-N 3.35Å; C121-Q123 PolarHBondContact O-N 2.85Å; C121-R124 PolarHBondContact O-N 3.01Å; C121-L125 WeakPolarHBondContact O-CG 3.5Å; C121-L125 PolarHBondContact O-N 2.92Å |
| 122 | E | 98 | Very high | 97.3 | Very high | 26 Ų | 26 | 55.4 Ų | 55.4 | 12% | 0.121 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.4 | -41.3 | 176 | -69.1 | -176.7 | 179.7 | 0 | 0 | 112 | R117 S118 L119 L125 K126 L131 | R117-E122 IonicContact CZ-OE1 2.69Å; R117-E122 IonicContact NE-OE1 2.7Å; R117-E122 PolarHBondContact NE-OE1 3.22Å; R117-E122 IonicContact NH2-OE1 3.44Å; R117-E122 PolarHBondContact NH2-OE1 3.47Å; R117-E122 IonicContact NH2-OE2 3.65Å; R117-E122 PolarHBondContact NH2-OE2 3.08Å; S118-E122 PolarHBondContact O-N 3.32Å; L119-E122 PolarHBondContact O-N 3.09Å; E122-L125 PolarHBondContact O-N 3.26Å; E122-K126 WeakPolarHBondContact O-CB 3.16Å; E122-K126 PolarHBondContact O-N 3.16Å; E122-L131 HydrophobicContact CB-CD1 4.29Å; E122-L131 HydrophobicContact CG-CD1 4.47Å |
| 123 | Q | 98.3 | Very high | 97.2 | Very high | 81 Ų | 81 | 57.9 Ų | 57.9 | 38% | 0.379 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.4 | -42 | 174.5 | -174.6 | 58.3 | 42.9 | 0 | 0 | 111.3 | L119 L120 C121 L125 K126 D127 | L119-Q123 WeakPolarHBondContact O-CB 3.39Å; L119-Q123 PolarHBondContact O-N 3.15Å; L120-Q123 PolarHBondContact O-N 2.71Å; C121-Q123 VanDerWaalsContact C-N 3.35Å; C121-Q123 PolarHBondContact O-N 2.85Å; Q123-L125 PolarHBondContact O-N 3.5Å; Q123-K126 WeakPolarHBondContact O-CA 3.26Å; Q123-K126 VanDerWaalsContact O-CB 3.3Å; Q123-K126 WeakPolarHBondContact O-CB 3.46Å; Q123-K126 PolarHBondContact O-N 3.46Å; Q123-K126 VanDerWaalsContact O-N 3.1Å; Q123-D127 PolarHBondContact NE2-OD1 2.95Å; Q123-D127 PolarHBondContact O-N 3.06Å |
| 124 | R | 98.3 | Very high | 97.2 | Very high | 94 Ų | 94 | 58.1 Ų | 58.1 | 36% | 0.355 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 176.3 | -176.5 | 56.7 | 175.7 | 177.6 | -0.5 | 112.3 | L87 M90 D91 L120 C121 K126 D127 L128 | L87-R124 HydrophobicContact CD2-CB 3.98Å; L87-R124 HydrophobicContact CD2-CG 4.46Å; M90-R124 HydrophobicContact CB-CB 4.28Å; M90-R124 HydrophobicContact CB-CG 3.89Å; D91-R124 IonicContact OD1-CZ 2.65Å; D91-R124 IonicContact OD1-NE 3.53Å; D91-R124 PolarHBondContact OD1-NE 2.78Å; D91-R124 IonicContact OD1-NH2 3.88Å; D91-R124 PolarHBondContact OD1-NH2 2.68Å; D91-R124 IonicContact OD2-NH2 3.72Å; L120-R124 WeakPolarHBondContact O-CB 3.37Å; L120-R124 PolarHBondContact O-N 2.98Å; C121-R124 PolarHBondContact O-N 3.01Å; R124-K126 PolarHBondContact O-N 3.01Å; R124-D127 PolarHBondContact O-N 2.74Å; R124-L128 HydrophobicContact CG-CD1 4.04Å; R124-L128 VanDerWaalsContact O-CG 3.27Å; R124-L128 WeakPolarHBondContact O-CG 3.28Å; R124-L128 PolarHBondContact O-N 3.38Å |
| 125 | L | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.2 | -32.2 | 174.7 | -69.6 | 172.4 | 0 | 0 | 0 | 112.3 | M90 I93 I111 C121 E122 Q123 G129 V130 L131 F134 | M90-L125 HydrophobicContact CB-CD2 3.95Å; M90-L125 HydrophobicContact CB-CG 4.15Å; M90-L125 HydrophobicContact CG-CD2 4.49Å; M90-L125 HydrophobicContact CG-CG 4.28Å; M90-L125 HydrophobicContact SD-CD1 3.77Å; M90-L125 HydrophobicContact SD-CD2 4.09Å; M90-L125 HydrophobicContact SD-CG 3.83Å; I93-L125 HydrophobicContact CG2-CD2 4.29Å; I111-L125 HydrophobicContact CD1-CD1 4.2Å; C121-L125 WeakPolarHBondContact O-CG 3.5Å; C121-L125 PolarHBondContact O-N 2.92Å; E122-L125 PolarHBondContact O-N 3.26Å; Q123-L125 PolarHBondContact O-N 3.5Å; L125-G129 PolarHBondContact O-N 3.34Å; L125-V130 HydrophobicContact CB-CG2 4.18Å; L125-V130 HydrophobicContact CD2-CG2 3.72Å; L125-V130 WeakPolarHBondContact O-CG2 3.37Å; L125-V130 PolarHBondContact O-N 2.93Å; L125-L131 HydrophobicContact CB-CB 4.05Å; L125-L131 HydrophobicContact CB-CD1 4.02Å; L125-L131 HydrophobicContact CD1-CD1 4.29Å; L125-L131 PolarHBondContact O-N 3.12Å; L125-F134 HydrophobicContact CD1-CE2 4.25Å; L125-F134 HydrophobicContact CD2-CE2 4.33Å |
| 126 | K | 98.2 | Very high | 97.2 | Very high | 128 Ų | 128 | 63.3 Ų | 63.3 | 56% | 0.557 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -69.2 | -45.8 | 175.3 | -174.4 | -178.6 | 173.6 | -175.7 | 0 | 111.2 | E122 Q123 R124 L128 G129 L131 | E122-K126 WeakPolarHBondContact O-CB 3.16Å; E122-K126 PolarHBondContact O-N 3.16Å; Q123-K126 WeakPolarHBondContact O-CA 3.26Å; Q123-K126 VanDerWaalsContact O-CB 3.3Å; Q123-K126 WeakPolarHBondContact O-CB 3.46Å; Q123-K126 PolarHBondContact O-N 3.46Å; Q123-K126 VanDerWaalsContact O-N 3.1Å; R124-K126 PolarHBondContact O-N 3.01Å; K126-L128 PolarHBondContact O-N 2.98Å; K126-G129 WeakPolarHBondContact O-CA 3.29Å; K126-G129 PolarHBondContact O-N 3.35Å; K126-L131 HydrophobicContact CB-CB 4.13Å; K126-L131 HydrophobicContact CB-CD2 3.84Å; K126-L131 HydrophobicContact CG-CD2 4.34Å |
| 127 | D | 98.3 | Very high | 97.3 | Very high | 105 Ų | 105 | 63.1 Ų | 63.1 | 56% | 0.561 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -64.1 | -32.8 | 178.9 | -63.8 | -22.9 | 0 | 0 | 0 | 111.7 | Q123 R124 G129 | Q123-D127 PolarHBondContact NE2-OD1 2.95Å; Q123-D127 PolarHBondContact O-N 3.06Å; R124-D127 PolarHBondContact O-N 2.74Å; D127-G129 PolarHBondContact O-N 3.29Å |
| 128 | L | 97.8 | Very high | 97.4 | Very high | 55 Ų | 55 | 61 Ų | 61 | 29% | 0.288 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -1.7 | 172.8 | -64.2 | 168.9 | 0 | 0 | 0 | 113.5 | D91 A94 R124 K126 V130 | D91-L128 WeakPolarHBondContact OD1-CD1 3.41Å; A94-L128 HydrophobicContact CB-CB 3.88Å; A94-L128 HydrophobicContact CB-CD1 3.55Å; A94-L128 HydrophobicContact CB-CG 4.27Å; R124-L128 HydrophobicContact CG-CD1 4.04Å; R124-L128 VanDerWaalsContact O-CG 3.27Å; R124-L128 WeakPolarHBondContact O-CG 3.28Å; R124-L128 PolarHBondContact O-N 3.38Å; K126-L128 PolarHBondContact O-N 2.98Å; L128-V130 VanDerWaalsContact C-N 3.32Å; L128-V130 HydrophobicContact CB-CG2 4.32Å; L128-V130 PolarHBondContact O-N 3.32Å |
| 129 | G | 97.5 | Very high | 97.5 | Very high | 64 Ų | 64 | 63.6 Ų | 63.6 | 66% | 0.66 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | 10.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | L125 K126 D127 | L125-G129 PolarHBondContact O-N 3.34Å; K126-G129 WeakPolarHBondContact O-CA 3.29Å; K126-G129 PolarHBondContact O-N 3.35Å; D127-G129 PolarHBondContact O-N 3.29Å |
| 130 | V | 97.2 | Very high | 97.5 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | trans | -107.2 | -13.7 | -174.3 | -64.4 | 0 | 0 | 0 | 0 | 114.5 | A94 V97 L98 L125 L128 G132 S133 F134 | A94-V130 HydrophobicContact CB-CB 4.49Å; A94-V130 HydrophobicContact CB-CG1 4.1Å; A94-V130 HydrophobicContact CB-CG2 3.63Å; V97-V130 HydrophobicContact CB-CG1 4.32Å; V97-V130 HydrophobicContact CG1-CB 4.31Å; V97-V130 HydrophobicContact CG1-CG1 4.15Å; L98-V130 HydrophobicContact CD1-CG1 4.11Å; L98-V130 HydrophobicContact CD2-CG1 3.86Å; L98-V130 HydrophobicContact CG-CG1 3.69Å; L125-V130 HydrophobicContact CB-CG2 4.18Å; L125-V130 HydrophobicContact CD2-CG2 3.72Å; L125-V130 WeakPolarHBondContact O-CG2 3.37Å; L125-V130 PolarHBondContact O-N 2.93Å; L128-V130 VanDerWaalsContact C-N 3.32Å; L128-V130 HydrophobicContact CB-CG2 4.32Å; L128-V130 PolarHBondContact O-N 3.32Å; V130-G132 PolarHBondContact O-N 3.08Å; V130-G132 VanDerWaalsContact O-N 3.1Å; V130-S133 VanDerWaalsContact O-CB 3.28Å; V130-S133 WeakPolarHBondContact O-CB 3.37Å; V130-S133 PolarHBondContact O-N 3.29Å; V130-S133 PolarHBondContact O-OG 2.56Å; V130-F134 HydrophobicContact CG2-CE2 4.4Å | ||
| 131 | L | 97.4 | Very high | 97.4 | Very high | 30 Ų | 30 | 52.6 Ų | 52.6 | 16% | 0.157 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -52.5 | -38.2 | -176 | -176.8 | 68.9 | 0 | 0 | 0 | 113.3 | E122 L125 K126 S133 F134 R137 | E122-L131 HydrophobicContact CB-CD1 4.29Å; E122-L131 HydrophobicContact CG-CD1 4.47Å; L125-L131 HydrophobicContact CB-CB 4.05Å; L125-L131 HydrophobicContact CB-CD1 4.02Å; L125-L131 HydrophobicContact CD1-CD1 4.29Å; L125-L131 PolarHBondContact O-N 3.12Å; K126-L131 HydrophobicContact CB-CB 4.13Å; K126-L131 HydrophobicContact CB-CD2 3.84Å; K126-L131 HydrophobicContact CG-CD2 4.34Å; L131-S133 PolarHBondContact O-N 3.33Å; L131-F134 PolarHBondContact O-N 2.88Å; L131-R137 VanDerWaalsContact CD1-CD 3.47Å |
| 132 | G | 96.7 | Very high | 97.3 | Very high | 81 Ų | 81 | 53 Ų | 53 | 84% | 0.835 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -67.8 | -14.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | V130 F134 | V130-G132 PolarHBondContact O-N 3.08Å; V130-G132 VanDerWaalsContact O-N 3.1Å; G132-F134 VanDerWaalsContact C-N 3.29Å |
| 133 | S | 95.8 | Very high | 97.3 | Very high | 53 Ų | 53 | 52 Ų | 52 | 37% | 0.371 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -78.3 | -14.7 | 178.6 | -45.9 | 0 | 0 | 0 | 0 | 112.8 | V130 L131 | V130-S133 VanDerWaalsContact O-CB 3.28Å; V130-S133 WeakPolarHBondContact O-CB 3.37Å; V130-S133 PolarHBondContact O-N 3.29Å; V130-S133 PolarHBondContact O-OG 2.56Å; L131-S133 PolarHBondContact O-N 3.33Å |
| 134 | F | 97.6 | Very high | 97.2 | Very high | 5 Ų | 5 | 48.4 Ų | 48.4 | 2% | 0.022 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 116.9 | -176.8 | -65.6 | -81.4 | 0 | 0 | 0 | 112.1 | F81 I93 V97 F109 I111 L125 V130 L131 G132 R137 | F81-F134 AromaticContact CD2-CE1 3.76Å; F81-F134 HydrophobicContact CD2-CE1 3.76Å; F81-F134 HydrophobicContact CD2-CZ 4.44Å; F81-F134 AromaticContact CE2-CE1 3.93Å; F81-F134 HydrophobicContact CE2-CE1 3.93Å; F81-F134 HydrophobicContact CE2-CZ 4.39Å; I93-F134 HydrophobicContact CG2-CE1 4.29Å; I93-F134 HydrophobicContact CG2-CE2 4.44Å; I93-F134 HydrophobicContact CG2-CZ 3.54Å; V97-F134 HydrophobicContact CG2-CZ 3.92Å; F109-F134 HydrophobicContact CB-CD1 3.87Å; F109-F134 HydrophobicContact CB-CE1 3.97Å; F109-F134 CarbonylContact O-C 3.6Å; F109-F134 VanDerWaalsContact O-CA 3.3Å; F109-F134 WeakPolarHBondContact O-CA 3.26Å; I111-F134 HydrophobicContact CB-CD1 4.1Å; I111-F134 HydrophobicContact CB-CE1 4.23Å; I111-F134 HydrophobicContact CG2-CD1 4.14Å; I111-F134 HydrophobicContact CG2-CG 4.37Å; L125-F134 HydrophobicContact CD1-CE2 4.25Å; L125-F134 HydrophobicContact CD2-CE2 4.33Å; V130-F134 HydrophobicContact CG2-CE2 4.4Å; L131-F134 PolarHBondContact O-N 2.88Å; G132-F134 VanDerWaalsContact C-N 3.29Å; F134-R137 HydrophobicContact CB-CG 3.73Å; F134-R137 PolarHBondContact O-NH1 2.83Å |
| 135 | I | 97.3 | Very high | 97.2 | Very high | 89 Ų | 89 | 44.1 Ų | 44.1 | 46% | 0.456 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | -51.5 | 177.1 | -59.4 | -174.9 | 0 | 0 | 0 | 110.6 | D108 F109 | D108-I135 HydrophobicContact CB-CD1 3.65Å; D108-I135 VanDerWaalsContact CG-CD1 3.45Å; D108-I135 WeakPolarHBondContact OD1-CD1 3.42Å; F109-I135 PolarHBondContact O-N 3.19Å |
| 136 | H | 97.3 | Very high | 97.2 | Very high | 54 Ų | 54 | 44.2 Ų | 44.2 | 25% | 0.25 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 130.2 | 177.6 | -62.4 | -53.6 | 0 | 0 | 0 | 110.2 | F26 H110 I111 | F26-H136 HydrophobicContact CE2-CB 4.33Å; H110-H136 WeakPolarHBondContact CA-O 3.21Å; H110-H136 HydrophobicContact CB-CB 4.39Å; H110-H136 AromaticContact CE1-CD2 3.58Å; H110-H136 AromaticContact ND1-CD2 3.28Å; H110-H136 PolarHBondContact ND1-CD2 2.87Å; H110-H136 VanDerWaalsContact ND1-CD2 3.28Å; H110-H136 AromaticContact ND1-CG 3.71Å; I111-H136 PolarHBondContact N-O 2.88Å |
| 137 | R | 97.1 | Very high | 97.1 | Very high | 86 Ų | 86 | 38.5 Ų | 38.5 | 33% | 0.325 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 87.8 | 174.7 | -55.7 | -174 | -61.8 | -75.7 | -3.2 | 107.5 | I111 R117 L131 F134 | I111-R137 HydrophobicContact CG2-CB 3.85Å; I111-R137 HydrophobicContact CG2-CG 3.69Å; I111-R137 WeakPolarHBondContact O-CA 3.04Å; R117-R137 WeakPolarHBondContact CD-O 2.97Å; R117-R137 PolarHBondContact NE-O 2.88Å; L131-R137 VanDerWaalsContact CD1-CD 3.47Å; F134-R137 HydrophobicContact CB-CG 3.73Å; F134-R137 PolarHBondContact O-NH1 2.83Å |
| 138 | E | 97.6 | Very high | 97 | Very high | 50 Ų | 50 | 33.7 Ų | 33.7 | 23% | 0.234 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 168 | -171.7 | -63.2 | -162.1 | -171.1 | 0 | 0 | 111.3 | F26 K29 I111 L112 F113 | F26-E138 HydrophobicContact CD2-CB 4.04Å; F26-E138 HydrophobicContact CD2-CG 4.24Å; F26-E138 HydrophobicContact CE2-CB 3.96Å; F26-E138 HydrophobicContact CE2-CG 4.16Å; K29-E138 WeakPolarHBondContact CD-OE1 3.25Å; K29-E138 IonicContact NZ-OE1 3.2Å; K29-E138 PolarHBondContact NZ-OE1 3.37Å; K29-E138 IonicContact NZ-OE2 3.45Å; K29-E138 PolarHBondContact NZ-OE2 2.88Å; I111-E138 PolarHBondContact O-N 3.36Å; L112-E138 HydrophobicContact CD1-CB 4.06Å; F113-E138 PolarHBondContact N-O 2.82Å |
| 139 | E | 96.6 | Very high | 96.8 | Very high | 76 Ų | 76 | 31.2 Ų | 31.2 | 36% | 0.355 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 154 | 167.8 | 55 | -175.9 | -135.4 | 0 | 0 | 110.4 | F113 R117 K177 | F113-E139 CarbonylContact O-C 3.52Å; F113-E139 VanDerWaalsContact O-CA 3.26Å; F113-E139 WeakPolarHBondContact O-CA 3.4Å; R117-E139 HydrophobicContact CB-CB 4.5Å; R117-E139 HydrophobicContact CG-CB 3.98Å; R117-E139 PolarHBondContact N-OE2 2.87Å; E139-K177 IonicContact OE1-NZ 3.11Å |
| 140 | Y | 97.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | trans | -122.8 | 112.5 | 172.7 | 175 | -119.2 | 0 | 0 | 0 | 109.1 | V19 E22 L23 F46 L112 F113 V114 P115 L142 | V19-Y140 HydrophobicContact CG1-CE1 4.08Å; V19-Y140 HydrophobicContact CG1-CE2 3.85Å; V19-Y140 WeakPolarHBondContact CG1-OH 3.23Å; V19-Y140 VanDerWaalsContact O-CE2 3.29Å; V19-Y140 WeakPolarHBondContact O-CE2 3.32Å; V19-Y140 PolarHBondContact O-OH 3.49Å; V19-Y140 VanDerWaalsContact O-OH 3.08Å; E22-Y140 HydrophobicContact CB-CD2 4.26Å; E22-Y140 HydrophobicContact CB-CE2 4Å; E22-Y140 HydrophobicContact CG-CD2 3.84Å; E22-Y140 HydrophobicContact CG-CE2 4.11Å; E22-Y140 WeakPolarHBondContact OE1-CA 3.29Å; L23-Y140 HydrophobicContact CB-CE2 3.67Å; F46-Y140 HydrophobicContact CE1-CD1 4Å; F46-Y140 AromaticContact CE1-CE1 3.55Å; F46-Y140 HydrophobicContact CE1-CE1 3.55Å; F46-Y140 HydrophobicContact CE2-CD1 4.45Å; F46-Y140 HydrophobicContact CE2-CE1 4.41Å; F46-Y140 AromaticContact CZ-CD1 3.51Å; F46-Y140 HydrophobicContact CZ-CD1 3.51Å; F46-Y140 AromaticContact CZ-CE1 3.47Å; F46-Y140 HydrophobicContact CZ-CE1 3.47Å; F46-Y140 VanDerWaalsContact CZ-CE1 3.47Å; L112-Y140 HydrophobicContact CD2-CG 4.33Å; F113-Y140 PolarHBondContact O-N 3.24Å; V114-Y140 HydrophobicContact CG1-CD1 4.34Å; V114-Y140 HydrophobicContact CG2-CD1 4.25Å; P115-Y140 CarbonylContact C-O 3.6Å; P115-Y140 VanDerWaalsContact CA-O 3.23Å; P115-Y140 WeakPolarHBondContact CA-O 3.22Å; Y140-L142 HydrophobicContact CD1-CB 3.84Å; Y140-L142 HydrophobicContact CE1-CB 3.77Å; Y140-L142 HydrophobicContact CE1-CD1 4.37Å; Y140-L142 HydrophobicContact CE1-CD2 4.08Å; Y140-L142 HydrophobicContact CE1-CG 4.3Å; Y140-L142 PolarHBondContact O-N 3.46Å | ||
| 141 | S | 94.1 | Very high | 96.8 | Very high | 25 Ų | 25 | 29.3 Ų | 29.3 | 18% | 0.175 | 17% | 0.169 | C | C | . | . | trans | -78.2 | 63.4 | -168.8 | -60.9 | 0 | 0 | 0 | 0 | 112.9 | E22 D143 K177 | E22-S141 PolarHBondContact OE1-N 2.86Å; S141-D143 VanDerWaalsContact C-N 3.3Å; S141-D143 PolarHBondContact O-N 2.93Å; S141-D143 VanDerWaalsContact O-N 3.13Å; S141-K177 PolarHBondContact OG-NZ 3.43Å | ||
| 142 | L | 96.3 | Very high | 96.9 | Very high | 9 Ų | 9 | 27.9 Ų | 27.9 | 5% | 0.047 | 16% | 0.161 | C | C | . | . | trans | -86.7 | 65.4 | 176.1 | -172.1 | 64.1 | 0 | 0 | 0 | 111.2 | V19 F46 I49 V114 Y140 I145 | V19-L142 HydrophobicContact CG1-CD1 3.46Å; V19-L142 VanDerWaalsContact CG1-CD1 3.46Å; F46-L142 HydrophobicContact CD2-CD2 4.26Å; F46-L142 HydrophobicContact CE2-CD2 4.07Å; F46-L142 HydrophobicContact CZ-CD2 4.47Å; I49-L142 HydrophobicContact CD1-CD1 4Å; I49-L142 HydrophobicContact CG1-CD1 3.78Å; I49-L142 HydrophobicContact CG1-CD2 4.39Å; V114-L142 HydrophobicContact CG1-CB 3.94Å; V114-L142 HydrophobicContact CG1-CD2 4.37Å; Y140-L142 HydrophobicContact CD1-CB 3.84Å; Y140-L142 HydrophobicContact CE1-CB 3.77Å; Y140-L142 HydrophobicContact CE1-CD1 4.37Å; Y140-L142 HydrophobicContact CE1-CD2 4.08Å; Y140-L142 HydrophobicContact CE1-CG 4.3Å; Y140-L142 PolarHBondContact O-N 3.46Å; L142-I145 HydrophobicContact CD1-CG1 3.71Å; L142-I145 HydrophobicContact CD2-CD1 4.06Å; L142-I145 HydrophobicContact CD2-CG1 4.01Å; L142-I145 HydrophobicContact CG-CD1 4.18Å; L142-I145 HydrophobicContact CG-CG1 3.8Å | ||
| 143 | D | 97.2 | Very high | 97 | Very high | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.027 | 12% | 0.122 | C | C | . | . | trans | -76.8 | -31.4 | -178.8 | -61.4 | -64.7 | 0 | 0 | 0 | 112.8 | S141 M154 H174 K177 | S141-D143 VanDerWaalsContact C-N 3.3Å; S141-D143 PolarHBondContact O-N 2.93Å; S141-D143 VanDerWaalsContact O-N 3.13Å; D143-M154 WeakPolarHBondContact O-CA 3.27Å; D143-M154 WeakPolarHBondContact O-CB 3.45Å; D143-M154 VanDerWaalsContact O-CG 3.25Å; D143-M154 WeakPolarHBondContact O-CG 3.3Å; D143-H174 IonicContact OD1-CE1 2.79Å; D143-H174 IonicContact OD1-CG 3.56Å; D143-H174 IonicContact OD1-ND1 2.68Å; D143-H174 PolarHBondContact OD1-ND1 3.18Å; D143-K177 WeakPolarHBondContact OD2-CD 3.33Å; D143-K177 WeakPolarHBondContact OD2-CE 3.48Å; D143-K177 VanDerWaalsContact OD2-CG 3.29Å; D143-K177 WeakPolarHBondContact OD2-CG 3.35Å | ||
| 144 | L | 98.1 | Very high | 97.1 | Very high | 6 Ų | 6 | 22.5 Ų | 22.5 | 3% | 0.031 | 11% | 0.109 | C | C | . | . | trans | -137.1 | 132.3 | 179.9 | -73.1 | 171.4 | 0 | 0 | 0 | 111.5 | L15 L152 M154 L182 F548 | L15-L144 HydrophobicContact CD2-CB 4.2Å; L144-L152 HydrophobicContact CD2-CB 4.36Å; L144-M154 HydrophobicContact CD2-CG 3.72Å; L144-L182 HydrophobicContact CD1-CD1 3.69Å; L144-L182 HydrophobicContact CD1-CD2 4.42Å; L144-L182 HydrophobicContact CD1-CG 3.88Å; L144-F548 HydrophobicContact CD1-CE2 4.43Å; L144-F548 HydrophobicContact CD2-CE2 4.01Å; L144-F548 HydrophobicContact CD2-CZ 4.08Å | ||
| 145 | I | 97.9 | Very high | 97.1 | Very high | 3 Ų | 3 | 22.7 Ų | 22.7 | 2% | 0.015 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 127 | -179.5 | -62.7 | 148.7 | 0 | 0 | 0 | 109 | P45 L48 I49 L142 F147 L152 S153 E155 | P45-I145 HydrophobicContact CB-CD1 3.69Å; L48-I145 HydrophobicContact CB-CG2 3.7Å; L48-I145 HydrophobicContact CD1-CG2 3.74Å; L48-I145 HydrophobicContact CG-CG2 4.38Å; I49-I145 HydrophobicContact CD1-CB 4.41Å; I49-I145 HydrophobicContact CD1-CG1 4.33Å; I49-I145 HydrophobicContact CD1-CG2 3.91Å; I49-I145 HydrophobicContact CG1-CG1 4.34Å; I49-I145 HydrophobicContact CG1-CG2 4.21Å; L142-I145 HydrophobicContact CD1-CG1 3.71Å; L142-I145 HydrophobicContact CD2-CD1 4.06Å; L142-I145 HydrophobicContact CD2-CG1 4.01Å; L142-I145 HydrophobicContact CG-CD1 4.18Å; L142-I145 HydrophobicContact CG-CG1 3.8Å; I145-F147 HydrophobicContact CB-CE2 4.21Å; I145-F147 HydrophobicContact CG2-CD2 4.21Å; I145-F147 HydrophobicContact CG2-CE2 3.96Å; I145-F147 WeakPolarHBondContact O-CD2 3.23Å; I145-L152 CarbonylContact O-C 3.56Å; I145-L152 VanDerWaalsContact O-CA 3.31Å; I145-L152 WeakPolarHBondContact O-CA 3.41Å; I145-S153 WeakPolarHBondContact CB-O 3.47Å; I145-S153 PolarHBondContact N-O 3.23Å; I145-S153 PolarHBondContact O-N 2.89Å; I145-E155 HydrophobicContact CD1-CB 4.14Å; I145-E155 HydrophobicContact CD1-CG 4.01Å |
| 146 | P | 97.2 | Very high | 96.9 | Very high | 3 Ų | 3 | 19.7 Ų | 19.7 | 2% | 0.019 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 124.9 | 172.4 | 30.1 | -31.4 | 0 | 0 | 0 | 112.2 | L5 L12 R16 L152 | L5-P146 HydrophobicContact CD1-CB 4.27Å; L5-P146 HydrophobicContact CD1-CG 4.1Å; L5-P146 HydrophobicContact CD2-CB 4Å; L12-P146 HydrophobicContact CB-CB 4.17Å; R16-P146 HydrophobicContact CB-CG 3.96Å; P146-L152 HydrophobicContact CB-CD2 3.79Å |
| 147 | F | 96.7 | Very high | 96.6 | Very high | 8 Ų | 8 | 22 Ų | 22 | 4% | 0.035 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -37.5 | 175.9 | -83.4 | -116 | 0 | 0 | 0 | 111.3 | L48 I145 L151 E155 S259 L581 | L48-F147 HydrophobicContact CD1-CD1 4.11Å; L48-F147 HydrophobicContact CD1-CD2 3.93Å; L48-F147 HydrophobicContact CD1-CE1 3.72Å; L48-F147 HydrophobicContact CD1-CE2 3.46Å; L48-F147 VanDerWaalsContact CD1-CE2 3.46Å; L48-F147 HydrophobicContact CD1-CG 4.21Å; L48-F147 HydrophobicContact CD1-CZ 3.36Å; I145-F147 HydrophobicContact CB-CE2 4.21Å; I145-F147 HydrophobicContact CG2-CD2 4.21Å; I145-F147 HydrophobicContact CG2-CE2 3.96Å; I145-F147 WeakPolarHBondContact O-CD2 3.23Å; F147-L151 HydrophobicContact CB-CB 4.3Å; F147-L151 HydrophobicContact CB-CD2 3.92Å; F147-L151 HydrophobicContact CB-CG 4Å; F147-L151 PolarHBondContact N-O 3.25Å; F147-E155 HydrophobicContact CE2-CG 3.89Å; F147-E155 VanDerWaalsContact CZ-CD 3.45Å; F147-E155 HydrophobicContact CZ-CG 3.69Å; F147-E155 WeakPolarHBondContact CZ-OE1 3.46Å; F147-S259 WeakPolarHBondContact CD1-OG 3.49Å; F147-L581 HydrophobicContact CD1-CD1 3.66Å; F147-L581 HydrophobicContact CE1-CD1 3.59Å; F147-L581 HydrophobicContact CG-CD1 4.31Å; F147-L581 HydrophobicContact CZ-CD1 4.24Å |
| 148 | D | 95.9 | Very high | 96.3 | Very high | 4 Ų | 4 | 19.1 Ų | 19.1 | 2% | 0.021 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | -178.6 | 177.4 | -137 | -20 | 0 | 0 | 0 | 111 | H4 Y7 L12 D150 L151 S291 R300 | H4-D148 IonicContact CD2-OD1 2.84Å; Y7-D148 VanDerWaalsContact CE1-OD1 3.25Å; Y7-D148 WeakPolarHBondContact CE1-OD1 3.34Å; Y7-D148 VanDerWaalsContact OH-CG 3.29Å; Y7-D148 PolarHBondContact OH-OD1 2.88Å; L12-D148 VanDerWaalsContact CD1-O 3.32Å; L12-D148 WeakPolarHBondContact CD1-O 3.15Å; D148-D150 PolarHBondContact O-N 3.27Å; D148-D150 VanDerWaalsContact O-N 3.13Å; D148-L151 HydrophobicContact CB-CB 4.21Å; D148-L151 PolarHBondContact N-O 3.19Å; D148-L151 PolarHBondContact O-N 2.83Å; D148-S291 VanDerWaalsContact CG-OG 3.22Å; D148-S291 WeakPolarHBondContact OD1-CB 3.5Å; D148-S291 PolarHBondContact OD1-OG 3.21Å; D148-S291 WeakPolarHBondContact OD2-CB 3.07Å; D148-S291 PolarHBondContact OD2-N 3.05Å; D148-S291 PolarHBondContact OD2-OG 3.14Å; D148-R300 IonicContact OD2-CZ 3.45Å; D148-R300 IonicContact OD2-NH1 2.68Å; D148-R300 PolarHBondContact OD2-NH1 3.3Å; D148-R300 IonicContact OD2-NH2 3.28Å |
| 149 | G | 94.9 | Very high | 96.2 | Very high | 3 Ų | 3 | 16.8 Ų | 16.8 | 3% | 0.031 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -17.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | H4 L12 | H4-G149 WeakPolarHBondContact O-CA 3.27Å; H4-G149 PolarHBondContact O-N 2.94Å; L12-G149 WeakPolarHBondContact CD1-O 3.44Å |
| 150 | D | 96.6 | Very high | 96.3 | Very high | 19 Ų | 19 | 13.5 Ų | 13.5 | 10% | 0.102 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.9 | 6.2 | -178.4 | 60.8 | -1.9 | 0 | 0 | 0 | 113.6 | Y7 D148 R562 I576 | Y7-D150 PolarHBondContact OH-OD1 2.65Å; D148-D150 PolarHBondContact O-N 3.27Å; D148-D150 VanDerWaalsContact O-N 3.13Å; D150-R562 IonicContact OD1-CZ 2.82Å; D150-R562 IonicContact OD1-NE 3.3Å; D150-R562 IonicContact OD1-NH2 3.9Å; D150-R562 PolarHBondContact OD1-NH2 3.48Å; D150-R562 WeakPolarHBondContact OD2-CG 3.09Å; D150-R562 IonicContact OD2-CZ 2.67Å; D150-R562 IonicContact OD2-NE 3.69Å; D150-R562 PolarHBondContact OD2-NE 3.34Å; D150-R562 IonicContact OD2-NH2 3.68Å; D150-I576 PolarHBondContact O-N 3.41Å |
| 151 | L | 98.1 | Very high | 96.2 | Very high | 6 Ų | 6 | 15.4 Ų | 15.4 | 3% | 0.031 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 124 | -169.7 | -176.6 | 62 | 0 | 0 | 0 | 113.1 | F147 D148 I558 I576 L581 | F147-L151 HydrophobicContact CB-CB 4.3Å; F147-L151 HydrophobicContact CB-CD2 3.92Å; F147-L151 HydrophobicContact CB-CG 4Å; F147-L151 PolarHBondContact N-O 3.25Å; D148-L151 HydrophobicContact CB-CB 4.21Å; D148-L151 PolarHBondContact N-O 3.19Å; D148-L151 PolarHBondContact O-N 2.83Å; L151-I558 HydrophobicContact CD1-CD1 3.78Å; L151-I558 HydrophobicContact CD1-CG1 4.35Å; L151-I558 HydrophobicContact CD2-CD1 3.97Å; L151-I576 CarbonylContact C-O 3.21Å; L151-I576 WeakPolarHBondContact CA-O 3.49Å; L151-I576 HydrophobicContact CD1-CB 3.89Å; L151-I576 HydrophobicContact CD1-CG2 3.89Å; L151-L581 HydrophobicContact CD1-CD2 4.25Å; L151-L581 HydrophobicContact CD2-CD1 4.23Å; L151-L581 HydrophobicContact CD2-CD2 4.15Å |
| 152 | L | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 142.2 | 175.3 | -60.1 | 169.2 | 0 | 0 | 0 | 109.8 | L12 L15 L144 I145 P146 L182 I576 A577 T578 | L12-L152 HydrophobicContact CD1-CD2 3.9Å; L12-L152 HydrophobicContact CD1-CG 4.02Å; L12-L152 HydrophobicContact CD2-CD1 4.22Å; L12-L152 HydrophobicContact CD2-CD2 4.13Å; L12-L152 HydrophobicContact CD2-CG 4.4Å; L12-L152 HydrophobicContact CG-CD2 4.5Å; L15-L152 HydrophobicContact CD2-CD2 3.62Å; L144-L152 HydrophobicContact CD2-CB 4.36Å; I145-L152 CarbonylContact O-C 3.56Å; I145-L152 VanDerWaalsContact O-CA 3.31Å; I145-L152 WeakPolarHBondContact O-CA 3.41Å; P146-L152 HydrophobicContact CB-CD2 3.79Å; L152-L182 HydrophobicContact CD1-CD1 3.89Å; L152-L182 HydrophobicContact CD1-CD2 4.02Å; L152-I576 PolarHBondContact N-O 3.11Å; L152-A577 HydrophobicContact CB-CB 4.14Å; L152-A577 CarbonylContact O-C 3.54Å; L152-A577 VanDerWaalsContact O-CA 3.3Å; L152-A577 WeakPolarHBondContact O-CA 3.34Å; L152-T578 PolarHBondContact O-N 3.31Å; L152-T578 VanDerWaalsContact O-N 3.08Å |
| 153 | S | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 143.9 | 173.4 | 177.8 | 0 | 0 | 0 | 0 | 110.2 | I145 E155 T578 | I145-S153 WeakPolarHBondContact CB-O 3.47Å; I145-S153 PolarHBondContact N-O 3.23Å; I145-S153 PolarHBondContact O-N 2.89Å; S153-E155 VanDerWaalsContact C-N 3.26Å; S153-E155 PolarHBondContact OG-N 2.97Å; S153-E155 PolarHBondContact OG-OE1 3.43Å; S153-T578 CarbonylContact C-O 3.3Å; S153-T578 WeakPolarHBondContact CA-O 3.32Å |
| 154 | M | 98.3 | Very high | 96.2 | Very high | 20 Ų | 20 | 18.6 Ų | 18.6 | 10% | 0.099 | 10% | 0.099 | C | C | . | . | trans | -77.6 | -15.6 | 168.8 | -53.9 | 175.1 | 54 | 0 | 0 | 112.3 | D143 L144 S156 S171 H174 A175 F548 T578 T579 | D143-M154 WeakPolarHBondContact O-CA 3.27Å; D143-M154 WeakPolarHBondContact O-CB 3.45Å; D143-M154 VanDerWaalsContact O-CG 3.25Å; D143-M154 WeakPolarHBondContact O-CG 3.3Å; L144-M154 HydrophobicContact CD2-CG 3.72Å; M154-S156 VanDerWaalsContact C-N 3.29Å; M154-S156 PolarHBondContact O-N 3.41Å; M154-S171 WeakPolarHBondContact CE-O 3.35Å; M154-H174 HydrophobicContact CE-CB 3.39Å; M154-A175 HydrophobicContact CE-CB 4.49Å; M154-A175 HydrophobicContact SD-CB 3.86Å; M154-F548 HydrophobicContact CG-CZ 3.98Å; M154-F548 HydrophobicContact SD-CE1 4.08Å; M154-F548 HydrophobicContact SD-CZ 3.64Å; M154-T578 PolarHBondContact N-O 3.47Å; M154-T579 HydrophobicContact SD-CG2 3.83Å | ||
| 155 | E | 96.9 | Very high | 96 | Very high | 9 Ų | 9 | 18.7 Ų | 18.7 | 4% | 0.042 | 10% | 0.1 | C | C | . | . | trans | 50.1 | 50.3 | -171.6 | -69.2 | -65.1 | 100.4 | 0 | 0 | 111.8 | Y41 P45 I145 F147 S153 N258 T579 K580 | Y41-E155 VanDerWaalsContact OH-C 3.3Å; Y41-E155 PolarHBondContact OH-O 3.28Å; P45-E155 HydrophobicContact CG-CB 4.04Å; P45-E155 HydrophobicContact CG-CG 4.27Å; I145-E155 HydrophobicContact CD1-CB 4.14Å; I145-E155 HydrophobicContact CD1-CG 4.01Å; F147-E155 HydrophobicContact CE2-CG 3.89Å; F147-E155 VanDerWaalsContact CZ-CD 3.45Å; F147-E155 HydrophobicContact CZ-CG 3.69Å; F147-E155 WeakPolarHBondContact CZ-OE1 3.46Å; S153-E155 VanDerWaalsContact C-N 3.26Å; S153-E155 PolarHBondContact OG-N 2.97Å; S153-E155 PolarHBondContact OG-OE1 3.43Å; E155-N258 PolarHBondContact OE2-ND2 3.42Å; E155-T579 PolarHBondContact N-O 3.31Å; E155-K580 VanDerWaalsContact CD-NZ 3.28Å; E155-K580 IonicContact OE1-NZ 2.71Å; E155-K580 PolarHBondContact OE1-NZ 2.9Å; E155-K580 IonicContact OE2-NZ 3.83Å; E155-K580 PolarHBondContact OE2-NZ 3.5Å | ||
| 156 | S | 95.1 | Very high | 95.9 | Very high | 26 Ų | 26 | 24 Ų | 24 | 18% | 0.182 | 13% | 0.125 | C | C | . | . | trans | -109 | 89.9 | 177.9 | 179.9 | 0 | 0 | 0 | 0 | 110.1 | M154 G158 A159 T579 | M154-S156 VanDerWaalsContact C-N 3.29Å; M154-S156 PolarHBondContact O-N 3.41Å; S156-G158 VanDerWaalsContact C-N 3.25Å; S156-G158 PolarHBondContact O-N 3.43Å; S156-A159 WeakPolarHBondContact O-CB 3.41Å; S156-A159 PolarHBondContact O-N 3.08Å; S156-T579 PolarHBondContact N-O 3.02Å | ||
| 157 | E | 90.4 | Very high | 95.7 | Very high | 104 Ų | 104 | 26.4 Ų | 26.4 | 49% | 0.486 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -35.4 | -177.4 | -72.6 | 175.4 | 151.9 | 0 | 0 | 113.7 | Y41 K580 | Y41-E157 HydrophobicContact CE2-CG 3.88Å; Y41-E157 WeakPolarHBondContact CE2-OE1 3.44Å; Y41-E157 WeakPolarHBondContact CE2-OE2 3.48Å; E157-K580 HydrophobicContact CG-CD 4.25Å |
| 158 | G | 90.7 | Very high | 95.7 | Very high | 25 Ų | 25 | 29.1 Ų | 29.1 | 26% | 0.258 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -11.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | S156 F160 K161 E162 | S156-G158 VanDerWaalsContact C-N 3.25Å; S156-G158 PolarHBondContact O-N 3.43Å; G158-F160 VanDerWaalsContact C-N 3.29Å; G158-F160 PolarHBondContact O-N 2.93Å; G158-K161 CarbonylContact O-C 3.56Å; G158-K161 WeakPolarHBondContact O-CA 3.45Å; G158-K161 PolarHBondContact O-N 3.09Å; G158-E162 WeakPolarHBondContact O-CB 3.33Å; G158-E162 WeakPolarHBondContact O-CG 3.17Å; G158-E162 PolarHBondContact O-N 3.32Å |
| 159 | A | 96.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -54.1 | -40.7 | -162.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | S156 C163 T579 | S156-A159 WeakPolarHBondContact O-CB 3.41Å; S156-A159 PolarHBondContact O-N 3.08Å; A159-C163 WeakPolarHBondContact O-CB 3.42Å; A159-C163 PolarHBondContact O-N 2.86Å; A159-C163 VanDerWaalsContact O-N 3.14Å; A159-C163 PolarHBondContact O-SG 3.32Å; A159-T579 HydrophobicContact CB-CG2 3.88Å |
| 160 | F | 97.2 | Very high | 95.6 | Very high | 7 Ų | 7 | 36 Ų | 36 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.1 | -47.1 | 176.3 | -174.4 | -82.2 | 0 | 0 | 0 | 112 | G158 C163 Y164 R232 L236 A450 W587 L591 | G158-F160 VanDerWaalsContact C-N 3.29Å; G158-F160 PolarHBondContact O-N 2.93Å; F160-C163 PolarHBondContact O-N 3.42Å; F160-Y164 HydrophobicContact CD1-CD2 4.12Å; F160-Y164 AromaticContact CD2-CD2 3.52Å; F160-Y164 HydrophobicContact CD2-CD2 3.52Å; F160-Y164 AromaticContact CD2-CE2 3.68Å; F160-Y164 HydrophobicContact CD2-CE2 3.68Å; F160-Y164 HydrophobicContact CE1-CD2 4.05Å; F160-Y164 HydrophobicContact CE1-CG 4.47Å; F160-Y164 AromaticContact CE2-CD2 3.42Å; F160-Y164 HydrophobicContact CE2-CD2 3.42Å; F160-Y164 VanDerWaalsContact CE2-CD2 3.42Å; F160-Y164 AromaticContact CE2-CE2 3.63Å; F160-Y164 HydrophobicContact CE2-CE2 3.63Å; F160-Y164 HydrophobicContact CE2-CG 4.3Å; F160-Y164 AromaticContact CG-CD2 3.87Å; F160-Y164 HydrophobicContact CG-CD2 3.87Å; F160-Y164 HydrophobicContact CG-CE2 4.4Å; F160-Y164 AromaticContact CZ-CD2 3.69Å; F160-Y164 HydrophobicContact CZ-CD2 3.69Å; F160-Y164 HydrophobicContact CZ-CE2 4.32Å; F160-Y164 HydrophobicContact CZ-CG 4.17Å; F160-Y164 WeakPolarHBondContact O-CD2 3.47Å; F160-Y164 PolarHBondContact O-N 3.48Å; F160-R232 HydrophobicContact CD2-CB 3.85Å; F160-R232 HydrophobicContact CD2-CG 3.76Å; F160-R232 HydrophobicContact CE2-CB 3.98Å; F160-R232 HydrophobicContact CE2-CG 3.77Å; F160-L236 HydrophobicContact CE2-CD2 4.08Å; F160-L236 HydrophobicContact CZ-CD2 3.92Å; F160-A450 HydrophobicContact CE1-CB 4.11Å; F160-W587 HydrophobicContact CD1-CZ2 4.49Å; F160-W587 AromaticContact CD1-NE1 3.28Å; F160-W587 VanDerWaalsContact CD1-NE1 3.28Å; F160-W587 HydrophobicContact CD2-CZ2 4.21Å; F160-W587 AromaticContact CD2-NE1 3.73Å; F160-W587 AromaticContact CE1-CZ2 3.97Å; F160-W587 HydrophobicContact CE1-CZ2 3.97Å; F160-W587 AromaticContact CE1-NE1 3.56Å; F160-W587 AromaticContact CE2-CZ2 3.66Å; F160-W587 HydrophobicContact CE2-CZ2 3.66Å; F160-W587 AromaticContact CE2-NE1 4Å; F160-W587 AromaticContact CG-NE1 3.38Å; F160-W587 AromaticContact CZ-CZ2 3.54Å; F160-W587 HydrophobicContact CZ-CZ2 3.54Å; F160-W587 AromaticContact CZ-NE1 3.93Å; F160-L591 HydrophobicContact CD1-CD2 3.89Å; F160-L591 HydrophobicContact CE1-CD1 4.34Å; F160-L591 HydrophobicContact CE1-CD2 4.05Å |
| 161 | K | 96.3 | Very high | 95.6 | Very high | 40 Ų | 40 | 35.3 Ų | 35.3 | 17% | 0.174 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.4 | -48 | 178.1 | 174 | 170.2 | -172.1 | 178.2 | 0 | 110.8 | G158 C163 L165 E166 A590 L591 E593 | G158-K161 CarbonylContact O-C 3.56Å; G158-K161 WeakPolarHBondContact O-CA 3.45Å; G158-K161 PolarHBondContact O-N 3.09Å; K161-C163 PolarHBondContact O-N 2.99Å; K161-L165 HydrophobicContact CG-CB 4.22Å; K161-L165 HydrophobicContact CG-CD1 4.02Å; K161-L165 WeakPolarHBondContact O-CA 3.33Å; K161-L165 VanDerWaalsContact O-CB 3.25Å; K161-L165 WeakPolarHBondContact O-CB 3.17Å; K161-L165 PolarHBondContact O-N 3.43Å; K161-E166 WeakPolarHBondContact CE-OE1 3.43Å; K161-E166 HydrophobicContact CG-CG 4.36Å; K161-E166 PolarHBondContact O-N 3.22Å; K161-E166 VanDerWaalsContact O-N 3.1Å; K161-A590 WeakPolarHBondContact CD-O 3.45Å; K161-L591 HydrophobicContact CB-CD2 4.43Å; K161-E593 IonicContact NZ-OE2 3.58Å; K161-E593 PolarHBondContact NZ-OE2 3.15Å |
| 162 | E | 95.3 | Very high | 95.6 | Very high | 41 Ų | 41 | 35.1 Ų | 35.1 | 19% | 0.192 | 20% | 0.195 | C | C | . | . | I | π-helix | trans | -51.1 | -55.1 | 176 | -73.8 | 167.2 | -164.6 | 0 | 0 | 110.7 | G158 E166 G167 D168 S171 | G158-E162 WeakPolarHBondContact O-CB 3.33Å; G158-E162 WeakPolarHBondContact O-CG 3.17Å; G158-E162 PolarHBondContact O-N 3.32Å; E162-E166 CarbonylContact O-C 3.55Å; E162-E166 PolarHBondContact O-N 3.18Å; E162-G167 PolarHBondContact O-N 3.05Å; E162-D168 CarbonylContact C-O 3.47Å; E162-D168 HydrophobicContact CB-CB 4.05Å; E162-D168 HydrophobicContact CG-CB 4.43Å; E162-D168 PolarHBondContact O-N 3.48Å; E162-S171 VanDerWaalsContact OE2-CB 3.26Å; E162-S171 WeakPolarHBondContact OE2-CB 3.43Å; E162-S171 PolarHBondContact OE2-OG 3.31Å |
| 163 | C | 96.7 | Very high | 95.6 | Very high | 24 Ų | 24 | 39.7 Ų | 39.7 | 16% | 0.162 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -69.5 | -45.6 | -175.1 | -67.5 | 0 | 0 | 0 | 0 | 113.3 | A159 F160 K161 | A159-C163 WeakPolarHBondContact O-CB 3.42Å; A159-C163 PolarHBondContact O-N 2.86Å; A159-C163 VanDerWaalsContact O-N 3.14Å; A159-C163 PolarHBondContact O-SG 3.32Å; F160-C163 PolarHBondContact O-N 3.42Å; K161-C163 PolarHBondContact O-N 2.99Å |
| 164 | Y | 95.3 | Very high | 95.5 | Very high | 41 Ų | 41 | 40.1 Ų | 40.1 | 16% | 0.161 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -101.1 | -17.3 | -167.5 | -62.6 | -71.1 | 0 | 0 | 0 | 114.4 | F160 D231 N233 | F160-Y164 HydrophobicContact CD1-CD2 4.12Å; F160-Y164 AromaticContact CD2-CD2 3.52Å; F160-Y164 HydrophobicContact CD2-CD2 3.52Å; F160-Y164 AromaticContact CD2-CE2 3.68Å; F160-Y164 HydrophobicContact CD2-CE2 3.68Å; F160-Y164 HydrophobicContact CE1-CD2 4.05Å; F160-Y164 HydrophobicContact CE1-CG 4.47Å; F160-Y164 AromaticContact CE2-CD2 3.42Å; F160-Y164 HydrophobicContact CE2-CD2 3.42Å; F160-Y164 VanDerWaalsContact CE2-CD2 3.42Å; F160-Y164 AromaticContact CE2-CE2 3.63Å; F160-Y164 HydrophobicContact CE2-CE2 3.63Å; F160-Y164 HydrophobicContact CE2-CG 4.3Å; F160-Y164 AromaticContact CG-CD2 3.87Å; F160-Y164 HydrophobicContact CG-CD2 3.87Å; F160-Y164 HydrophobicContact CG-CE2 4.4Å; F160-Y164 AromaticContact CZ-CD2 3.69Å; F160-Y164 HydrophobicContact CZ-CD2 3.69Å; F160-Y164 HydrophobicContact CZ-CE2 4.32Å; F160-Y164 HydrophobicContact CZ-CG 4.17Å; F160-Y164 WeakPolarHBondContact O-CD2 3.47Å; F160-Y164 PolarHBondContact O-N 3.48Å; Y164-D231 VanDerWaalsContact OH-CB 3.25Å; Y164-D231 WeakPolarHBondContact OH-CB 3.38Å; Y164-D231 PolarHBondContact OH-OD2 3.3Å; Y164-N233 HydrophobicContact CD1-CB 4.2Å; Y164-N233 HydrophobicContact CE1-CB 3.51Å; Y164-N233 HydrophobicContact CE2-CB 4.13Å; Y164-N233 VanDerWaalsContact CZ-CB 3.47Å |
| 165 | L | 94.5 | Very high | 95.5 | Very high | 9 Ų | 9 | 39.2 Ų | 39.2 | 5% | 0.047 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -111 | -38.8 | 176.1 | -60.7 | -174.6 | 0 | 0 | 0 | 113 | K161 N446 K449 A450 L591 | K161-L165 HydrophobicContact CG-CB 4.22Å; K161-L165 HydrophobicContact CG-CD1 4.02Å; K161-L165 WeakPolarHBondContact O-CA 3.33Å; K161-L165 VanDerWaalsContact O-CB 3.25Å; K161-L165 WeakPolarHBondContact O-CB 3.17Å; K161-L165 PolarHBondContact O-N 3.43Å; L165-N446 HydrophobicContact CD1-CB 3.77Å; L165-N446 VanDerWaalsContact CD2-O 3.32Å; L165-N446 WeakPolarHBondContact CD2-O 3.48Å; L165-K449 HydrophobicContact CD2-CB 3.68Å; L165-K449 HydrophobicContact CD2-CD 3.9Å; L165-K449 HydrophobicContact CD2-CG 3.77Å; L165-K449 VanDerWaalsContact O-CE 3.28Å; L165-K449 WeakPolarHBondContact O-CE 3.42Å; L165-K449 PolarHBondContact O-NZ 2.87Å; L165-A450 HydrophobicContact CD2-CB 3.99Å; L165-L591 HydrophobicContact CD1-CD2 3.52Å; L165-L591 HydrophobicContact CG-CD2 4.26Å |
| 166 | E | 94.8 | Very high | 95.6 | Very high | 115 Ų | 115 | 38.8 Ų | 38.8 | 54% | 0.537 | 21% | 0.208 | S | C | . | . | I | π-helix | trans | -101.1 | -18.4 | -171.6 | -61.1 | 170.4 | 172.5 | 0 | 0 | 112.5 | K161 E162 D168 | K161-E166 WeakPolarHBondContact CE-OE1 3.43Å; K161-E166 HydrophobicContact CG-CG 4.36Å; K161-E166 PolarHBondContact O-N 3.22Å; K161-E166 VanDerWaalsContact O-N 3.1Å; E162-E166 CarbonylContact O-C 3.55Å; E162-E166 PolarHBondContact O-N 3.18Å; E166-D168 HydrophobicContact CB-CB 4.44Å; E166-D168 PolarHBondContact O-N 3.41Å |
| 167 | G | 94 | Very high | 95.7 | Very high | 53 Ų | 53 | 39.2 Ų | 39.2 | 55% | 0.546 | 21% | 0.207 | S | C | . | . | trans | 70.3 | 17.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E162 | E162-G167 PolarHBondContact O-N 3.05Š| ||
| 168 | D | 95.4 | Very high | 96.1 | Very high | 64 Ų | 64 | 34.3 Ų | 34.3 | 34% | 0.342 | 18% | 0.184 | S | C | . | . | trans | -83.2 | 121.2 | 176.6 | -171.5 | -12.2 | 0 | 0 | 0 | 109.8 | E162 E166 T170 | E162-D168 CarbonylContact C-O 3.47Å; E162-D168 HydrophobicContact CB-CB 4.05Å; E162-D168 HydrophobicContact CG-CB 4.43Å; E162-D168 PolarHBondContact O-N 3.48Å; E166-D168 HydrophobicContact CB-CB 4.44Å; E166-D168 PolarHBondContact O-N 3.41Å; D168-T170 WeakPolarHBondContact OD1-CB 3.46Å; D168-T170 PolarHBondContact OD1-N 3.29Å; D168-T170 PolarHBondContact OD1-OG1 3.44Å | ||
| 169 | Q | 95 | Very high | 96.4 | Very high | 98 Ų | 98 | 33.1 Ų | 33.1 | 46% | 0.458 | 17% | 0.172 | S | C | . | . | trans | -100.9 | 12 | -177.8 | -61.3 | 176.4 | 1.3 | 0 | 0 | 112.4 | S171 L172 Y173 Q201 | Q169-S171 VanDerWaalsContact C-N 3.35Å; Q169-S171 PolarHBondContact O-N 3.45Å; Q169-L172 HydrophobicContact CB-CB 4.48Å; Q169-L172 HydrophobicContact CB-CD1 4.29Å; Q169-L172 HydrophobicContact CG-CD1 4.24Å; Q169-L172 WeakPolarHBondContact O-CB 3.4Å; Q169-L172 PolarHBondContact O-N 3.04Å; Q169-Y173 PolarHBondContact O-N 3.32Å; Q169-Q201 VanDerWaalsContact NE2-OE1 3.09Å | ||
| 170 | T | 94.8 | Very high | 96.4 | Very high | 55 Ų | 55 | 34.8 Ų | 34.8 | 34% | 0.337 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -57.9 | -46 | -177.9 | -64.5 | 0 | 0 | 0 | 0 | 111.4 | D168 L172 Y173 H174 | D168-T170 WeakPolarHBondContact OD1-CB 3.46Å; D168-T170 PolarHBondContact OD1-N 3.29Å; D168-T170 PolarHBondContact OD1-OG1 3.44Å; T170-L172 VanDerWaalsContact C-N 3.29Å; T170-L172 PolarHBondContact O-N 2.97Å; T170-Y173 WeakPolarHBondContact O-CB 3.31Å; T170-Y173 PolarHBondContact O-N 3.34Å; T170-H174 PolarHBondContact O-CD2 3.24Å; T170-H174 PolarHBondContact O-N 2.92Å; T170-H174 VanDerWaalsContact O-N 3.15Å |
| 171 | S | 96.5 | Very high | 96.4 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.6 | -33.9 | 174.7 | 43.4 | 0 | 0 | 0 | 0 | 112.8 | M154 E162 Q169 H174 A175 | M154-S171 WeakPolarHBondContact CE-O 3.35Å; E162-S171 VanDerWaalsContact OE2-CB 3.26Å; E162-S171 WeakPolarHBondContact OE2-CB 3.43Å; E162-S171 PolarHBondContact OE2-OG 3.31Å; Q169-S171 VanDerWaalsContact C-N 3.35Å; Q169-S171 PolarHBondContact O-N 3.45Å; S171-H174 PolarHBondContact O-N 3.49Å; S171-A175 PolarHBondContact O-N 3.23Å |
| 172 | L | 98.2 | Very high | 96.4 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.3 | -38.4 | 175.6 | -54.9 | -172.9 | 0 | 0 | 0 | 112.5 | Q169 T170 H174 A175 A176 C198 Q201 V202 M205 L550 | Q169-L172 HydrophobicContact CB-CB 4.48Å; Q169-L172 HydrophobicContact CB-CD1 4.29Å; Q169-L172 HydrophobicContact CG-CD1 4.24Å; Q169-L172 WeakPolarHBondContact O-CB 3.4Å; Q169-L172 PolarHBondContact O-N 3.04Å; T170-L172 VanDerWaalsContact C-N 3.29Å; T170-L172 PolarHBondContact O-N 2.97Å; L172-H174 VanDerWaalsContact C-N 3.31Å; L172-H174 PolarHBondContact O-N 2.84Å; L172-A175 PolarHBondContact O-N 3.05Å; L172-A176 PolarHBondContact O-N 2.91Å; L172-C198 HydrophobicContact CD1-CB 3.73Å; L172-C198 HydrophobicContact CD2-CB 3.7Å; L172-C198 HydrophobicContact CG-CB 4.39Å; L172-Q201 HydrophobicContact CD1-CB 4.32Å; L172-V202 HydrophobicContact CB-CG2 3.83Å; L172-V202 HydrophobicContact CD2-CG2 3.99Å; L172-V202 HydrophobicContact CG-CG2 4.4Å; L172-M205 VanDerWaalsContact C-CE 3.43Å; L172-M205 HydrophobicContact CB-CE 3.66Å; L172-M205 WeakPolarHBondContact O-CE 3.45Å; L172-L550 HydrophobicContact CD2-CD2 4.28Å |
| 173 | Y | 97.4 | Very high | 96.4 | Very high | 95 Ų | 95 | 32.9 Ų | 32.9 | 37% | 0.373 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -59.6 | -44.4 | 172.7 | 171.7 | -91.7 | 0 | 0 | 0 | 111 | Q169 T170 A176 K177 M205 M209 | Q169-Y173 PolarHBondContact O-N 3.32Å; T170-Y173 WeakPolarHBondContact O-CB 3.31Å; T170-Y173 PolarHBondContact O-N 3.34Å; Y173-A176 PolarHBondContact O-N 3.45Å; Y173-K177 HydrophobicContact CE1-CD 4.34Å; Y173-K177 PolarHBondContact O-N 3.36Å; Y173-M205 HydrophobicContact CD2-SD 4.41Å; Y173-M209 HydrophobicContact CD2-CE 3.54Å; Y173-M209 HydrophobicContact CE2-CE 3.27Å; Y173-M209 HydrophobicContact CG-CE 4.4Å |
| 174 | H | 97.6 | Very high | 96.2 | Very high | 10 Ų | 10 | 34.1 Ų | 34.1 | 5% | 0.046 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.7 | -35.9 | 177.4 | -73.8 | -62.8 | 0 | 0 | 0 | 113 | P115 R116 D143 M154 T170 S171 L172 A176 K177 G178 | P115-H174 VanDerWaalsContact CG-CE1 3.47Å; P115-H174 WeakPolarHBondContact CG-CE1 3.34Å; R116-H174 VanDerWaalsContact CD-CE1 3.44Å; R116-H174 WeakPolarHBondContact CD-CE1 3.42Å; R116-H174 WeakPolarHBondContact CD-NE2 3.38Å; D143-H174 IonicContact OD1-CE1 2.79Å; D143-H174 IonicContact OD1-CG 3.56Å; D143-H174 IonicContact OD1-ND1 2.68Å; D143-H174 PolarHBondContact OD1-ND1 3.18Å; M154-H174 HydrophobicContact CE-CB 3.39Å; T170-H174 PolarHBondContact O-CD2 3.24Å; T170-H174 PolarHBondContact O-N 2.92Å; T170-H174 VanDerWaalsContact O-N 3.15Å; S171-H174 PolarHBondContact O-N 3.49Å; L172-H174 VanDerWaalsContact C-N 3.31Å; L172-H174 PolarHBondContact O-N 2.84Å; H174-A176 VanDerWaalsContact C-N 3.34Å; H174-A176 PolarHBondContact O-N 2.93Å; H174-K177 PolarHBondContact O-N 3.31Å; H174-G178 PolarHBondContact O-N 2.98Å |
| 175 | A | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60 | -44.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | M154 S171 L172 G178 L179 V202 F548 L550 | M154-A175 HydrophobicContact CE-CB 4.49Å; M154-A175 HydrophobicContact SD-CB 3.86Å; S171-A175 PolarHBondContact O-N 3.23Å; L172-A175 PolarHBondContact O-N 3.05Å; A175-G178 PolarHBondContact O-N 3.21Å; A175-L179 WeakPolarHBondContact O-CB 3.49Å; A175-L179 VanDerWaalsContact O-CG 3.29Å; A175-L179 WeakPolarHBondContact O-CG 3.27Å; A175-L179 PolarHBondContact O-N 3.44Å; A175-V202 HydrophobicContact CB-CG1 4.36Å; A175-V202 HydrophobicContact CB-CG2 4.18Å; A175-F548 HydrophobicContact CB-CE1 4.08Å; A175-F548 HydrophobicContact CB-CE2 4.25Å; A175-F548 HydrophobicContact CB-CZ 3.74Å; A175-L550 HydrophobicContact CB-CD2 3.91Å |
| 176 | A | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64 | -41.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | L172 Y173 H174 L179 M180 V202 M205 M206 M209 | L172-A176 PolarHBondContact O-N 2.91Å; Y173-A176 PolarHBondContact O-N 3.45Å; H174-A176 VanDerWaalsContact C-N 3.34Å; H174-A176 PolarHBondContact O-N 2.93Å; A176-L179 PolarHBondContact O-N 3.15Å; A176-M180 WeakPolarHBondContact O-CG 3.32Å; A176-M180 PolarHBondContact O-N 2.52Å; A176-V202 HydrophobicContact CB-CG1 4.29Å; A176-M205 HydrophobicContact CB-CB 3.73Å; A176-M206 HydrophobicContact CB-CB 4.32Å; A176-M209 HydrophobicContact CB-CE 4.15Å; A176-M209 HydrophobicContact CB-SD 4.11Å |
| 177 | K | 97 | Very high | 96.2 | Very high | 35 Ų | 35 | 29 Ų | 29 | 15% | 0.152 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.2 | -45.4 | 175.8 | -171 | 179.9 | 167.7 | -174 | 0 | 111.5 | E139 S141 D143 Y173 H174 L179 M180 T181 | E139-K177 IonicContact OE1-NZ 3.11Å; S141-K177 PolarHBondContact OG-NZ 3.43Å; D143-K177 WeakPolarHBondContact OD2-CD 3.33Å; D143-K177 WeakPolarHBondContact OD2-CE 3.48Å; D143-K177 VanDerWaalsContact OD2-CG 3.29Å; D143-K177 WeakPolarHBondContact OD2-CG 3.35Å; Y173-K177 HydrophobicContact CE1-CD 4.34Å; Y173-K177 PolarHBondContact O-N 3.36Å; H174-K177 PolarHBondContact O-N 3.31Å; K177-L179 VanDerWaalsContact C-N 3.35Å; K177-L179 PolarHBondContact O-N 3.48Å; K177-M180 WeakPolarHBondContact O-CB 3.4Å; K177-M180 PolarHBondContact O-N 2.94Å; K177-M180 VanDerWaalsContact O-N 3.11Å; K177-T181 PolarHBondContact O-N 3.15Å; K177-T181 PolarHBondContact O-OG1 3.06Å |
| 178 | G | 97.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.1 | -42.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | H174 A175 M180 T181 L182 | H174-G178 PolarHBondContact O-N 2.98Å; A175-G178 PolarHBondContact O-N 3.21Å; G178-M180 PolarHBondContact O-N 3.17Å; G178-T181 WeakPolarHBondContact O-CB 3.09Å; G178-T181 PolarHBondContact O-N 3.31Å; G178-L182 WeakPolarHBondContact O-CG 3.34Å; G178-L182 PolarHBondContact O-N 3.27Å |
| 179 | L | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.8 | -39.4 | 173.1 | -75.1 | 166.1 | 0 | 0 | 0 | 112.4 | A175 A176 K177 T181 L182 Q183 V202 M206 L227 L229 L546 F548 | A175-L179 WeakPolarHBondContact O-CB 3.49Å; A175-L179 VanDerWaalsContact O-CG 3.29Å; A175-L179 WeakPolarHBondContact O-CG 3.27Å; A175-L179 PolarHBondContact O-N 3.44Å; A176-L179 PolarHBondContact O-N 3.15Å; K177-L179 VanDerWaalsContact C-N 3.35Å; K177-L179 PolarHBondContact O-N 3.48Å; L179-T181 VanDerWaalsContact C-N 3.34Å; L179-L182 PolarHBondContact O-N 2.96Å; L179-Q183 WeakPolarHBondContact O-CG 3.42Å; L179-Q183 PolarHBondContact O-N 2.62Å; L179-V202 HydrophobicContact CD1-CG1 3.64Å; L179-M206 HydrophobicContact CB-CG 4.33Å; L179-M206 HydrophobicContact CB-SD 3.67Å; L179-M206 HydrophobicContact CD1-SD 4.05Å; L179-M206 HydrophobicContact CG-SD 4.38Å; L179-L227 HydrophobicContact CD1-CD2 4.06Å; L179-L227 HydrophobicContact CD2-CD1 3.74Å; L179-L227 HydrophobicContact CD2-CD2 3.96Å; L179-L229 HydrophobicContact CD1-CD2 3.99Å; L179-L546 HydrophobicContact CD2-CD2 3.8Å; L179-F548 HydrophobicContact CD1-CD2 4.22Å; L179-F548 HydrophobicContact CD2-CD2 3.92Å; L179-F548 HydrophobicContact CD2-CE2 4.5Å; L179-F548 HydrophobicContact CG-CD2 4Å; L179-F548 HydrophobicContact CG-CE2 4.22Å |
| 180 | M | 96.1 | Very high | 96.3 | Very high | 37 Ų | 37 | 20.3 Ų | 20.3 | 18% | 0.182 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.2 | -41.2 | 173.4 | -75 | -59.5 | -61.3 | 0 | 0 | 112 | A176 K177 G178 Q183 A184 M206 M209 K210 | A176-M180 WeakPolarHBondContact O-CG 3.32Å; A176-M180 PolarHBondContact O-N 2.52Å; K177-M180 WeakPolarHBondContact O-CB 3.4Å; K177-M180 PolarHBondContact O-N 2.94Å; K177-M180 VanDerWaalsContact O-N 3.11Å; G178-M180 PolarHBondContact O-N 3.17Å; M180-Q183 PolarHBondContact O-N 3.36Å; M180-Q183 PolarHBondContact SD-NE2 3.43Å; M180-Q183 VanDerWaalsContact SD-NE2 3.43Å; M180-A184 PolarHBondContact O-N 3.38Å; M180-M206 HydrophobicContact CG-CG 4.1Å; M180-M206 HydrophobicContact SD-CG 3.76Å; M180-M209 HydrophobicContact CG-CB 4.02Å; M180-M209 HydrophobicContact CG-SD 4.02Å; M180-M209 HydrophobicContact SD-CB 4.37Å; M180-K210 HydrophobicContact CE-CB 3.82Å; M180-K210 HydrophobicContact CE-CG 4.26Å; M180-K210 HydrophobicContact SD-CB 4.01Å |
| 181 | T | 95.7 | Very high | 96.4 | Very high | 47 Ų | 47 | 20.1 Ų | 20.1 | 29% | 0.288 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -60.5 | -45.3 | 172.9 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | L15 K177 G178 L179 Q183 A184 L185 | L15-T181 HydrophobicContact CD1-CG2 3.94Å; K177-T181 PolarHBondContact O-N 3.15Å; K177-T181 PolarHBondContact O-OG1 3.06Å; G178-T181 WeakPolarHBondContact O-CB 3.09Å; G178-T181 PolarHBondContact O-N 3.31Å; L179-T181 VanDerWaalsContact C-N 3.34Å; T181-Q183 VanDerWaalsContact C-N 3.33Å; T181-Q183 PolarHBondContact O-N 2.86Å; T181-A184 PolarHBondContact O-N 2.75Å; T181-L185 HydrophobicContact CG2-CD1 4.17Å; T181-L185 WeakPolarHBondContact O-CG 3.31Å; T181-L185 PolarHBondContact O-N 3.27Å; T181-L185 VanDerWaalsContact O-N 3.1Å |
| 182 | L | 96.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.9 | -43.2 | 174.4 | -67.5 | -178.6 | 0 | 0 | 0 | 111.6 | L15 L144 L152 G178 L179 A184 L185 Y186 L546 | L15-L182 HydrophobicContact CD2-CD2 4.07Å; L144-L182 HydrophobicContact CD1-CD1 3.69Å; L144-L182 HydrophobicContact CD1-CD2 4.42Å; L144-L182 HydrophobicContact CD1-CG 3.88Å; L152-L182 HydrophobicContact CD1-CD1 3.89Å; L152-L182 HydrophobicContact CD1-CD2 4.02Å; G178-L182 WeakPolarHBondContact O-CG 3.34Å; G178-L182 PolarHBondContact O-N 3.27Å; L179-L182 PolarHBondContact O-N 2.96Å; L182-A184 VanDerWaalsContact C-N 3.3Å; L182-A184 PolarHBondContact O-N 3.02Å; L182-L185 PolarHBondContact O-N 3.46Å; L182-Y186 HydrophobicContact CB-CD2 4.28Å; L182-Y186 HydrophobicContact CD2-CD2 3.94Å; L182-Y186 HydrophobicContact CD2-CE2 3.7Å; L182-Y186 WeakPolarHBondContact O-CB 3.37Å; L182-Y186 VanDerWaalsContact O-CD2 3.29Å; L182-Y186 WeakPolarHBondContact O-CD2 3.49Å; L182-Y186 PolarHBondContact O-N 3.16Å; L182-L546 HydrophobicContact CD1-CD2 3.61Å |
| 183 | Q | 95.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.4 | -34.1 | 177.5 | -71 | -166.6 | 130.9 | 0 | 0 | 113.3 | L179 M180 T181 L185 G187 I189 N218 | L179-Q183 WeakPolarHBondContact O-CG 3.42Å; L179-Q183 PolarHBondContact O-N 2.62Å; M180-Q183 PolarHBondContact O-N 3.36Å; M180-Q183 PolarHBondContact SD-NE2 3.43Å; M180-Q183 VanDerWaalsContact SD-NE2 3.43Å; T181-Q183 VanDerWaalsContact C-N 3.33Å; T181-Q183 PolarHBondContact O-N 2.86Å; Q183-L185 VanDerWaalsContact C-N 3.33Å; Q183-G187 WeakPolarHBondContact CA-O 3.37Å; Q183-G187 CarbonylContact O-C 3.49Å; Q183-G187 VanDerWaalsContact O-CA 3.23Å; Q183-G187 WeakPolarHBondContact O-CA 3.46Å; Q183-G187 PolarHBondContact O-N 3.31Å; Q183-I189 HydrophobicContact CG-CG1 4.06Å; Q183-I189 VanDerWaalsContact OE1-N 3.08Å; Q183-N218 PolarHBondContact O-ND2 2.91Å |
| 184 | A | 93.6 | Very high | 96.6 | Very high | 50 Ų | 50 | 16.3 Ų | 16.3 | 41% | 0.413 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -68 | -33.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M180 T181 L182 I220 | M180-A184 PolarHBondContact O-N 3.38Å; T181-A184 PolarHBondContact O-N 2.75Å; L182-A184 VanDerWaalsContact C-N 3.3Å; L182-A184 PolarHBondContact O-N 3.02Å; A184-I220 VanDerWaalsContact O-CD1 3.24Å; A184-I220 WeakPolarHBondContact O-CD1 3.2Å |
| 185 | L | 94.9 | Very high | 96.6 | Very high | 45 Ų | 45 | 15.9 Ų | 15.9 | 24% | 0.236 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -88.7 | -34.6 | -179.4 | -64.7 | 175.1 | 0 | 0 | 0 | 113.7 | V14 L15 A18 T181 L182 Q183 | V14-L185 HydrophobicContact CG1-CB 4.46Å; V14-L185 HydrophobicContact CG1-CD2 4.22Å; L15-L185 HydrophobicContact CB-CD1 4.11Å; L15-L185 HydrophobicContact CD1-CD1 3.73Å; A18-L185 HydrophobicContact CB-CD1 4.28Å; A18-L185 HydrophobicContact CB-CD2 4.2Å; T181-L185 HydrophobicContact CG2-CD1 4.17Å; T181-L185 WeakPolarHBondContact O-CG 3.31Å; T181-L185 PolarHBondContact O-N 3.27Å; T181-L185 VanDerWaalsContact O-N 3.1Å; L182-L185 PolarHBondContact O-N 3.46Å; Q183-L185 VanDerWaalsContact C-N 3.33Å |
| 186 | Y | 95.2 | Very high | 96.6 | Very high | 10 Ų | 10 | 15.9 Ų | 15.9 | 4% | 0.039 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -119.4 | 8.8 | -168.8 | -58.2 | -72.7 | 0 | 0 | 0 | 113.8 | V10 N11 L12 V14 L15 L182 V223 F224 | V10-Y186 HydrophobicContact CG1-CD1 4.09Å; V10-Y186 HydrophobicContact CG1-CE1 3.83Å; N11-Y186 WeakPolarHBondContact O-CE1 3.41Å; N11-Y186 PolarHBondContact O-OH 2.69Å; L12-Y186 WeakPolarHBondContact CA-OH 3.21Å; V14-Y186 HydrophobicContact CB-CE1 4.32Å; L15-Y186 PolarHBondContact N-OH 2.88Å; L182-Y186 HydrophobicContact CB-CD2 4.28Å; L182-Y186 HydrophobicContact CD2-CD2 3.94Å; L182-Y186 HydrophobicContact CD2-CE2 3.7Å; L182-Y186 WeakPolarHBondContact O-CB 3.37Å; L182-Y186 VanDerWaalsContact O-CD2 3.29Å; L182-Y186 WeakPolarHBondContact O-CD2 3.49Å; L182-Y186 PolarHBondContact O-N 3.16Å; Y186-V223 HydrophobicContact CD1-CG2 4.35Å; Y186-V223 PolarHBondContact O-N 3.2Å; Y186-F224 AromaticContact CD2-CE2 3.99Å; Y186-F224 HydrophobicContact CD2-CE2 3.99Å; Y186-F224 AromaticContact CG-CE2 3.95Å; Y186-F224 HydrophobicContact CG-CE2 3.95Å |
| 187 | G | 94.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | trans | 83.8 | 159.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q183 I189 I220 | Q183-G187 WeakPolarHBondContact CA-O 3.37Å; Q183-G187 CarbonylContact O-C 3.49Å; Q183-G187 VanDerWaalsContact O-CA 3.23Å; Q183-G187 WeakPolarHBondContact O-CA 3.46Å; Q183-G187 PolarHBondContact O-N 3.31Å; G187-I189 PolarHBondContact O-N 3.01Å; G187-I220 WeakPolarHBondContact CA-O 3.46Å | ||
| 188 | T | 94.5 | Very high | 96.7 | Very high | 10 Ų | 10 | 19.7 Ų | 19.7 | 6% | 0.061 | 11% | 0.109 | C | C | . | . | trans | -60.7 | 129.6 | 178.2 | -74.6 | 0 | 0 | 0 | 0 | 110.8 | P190 K210 P222 Q527 L529 | T188-P190 VanDerWaalsContact O-CD 3.27Å; T188-P190 WeakPolarHBondContact O-CD 3.39Å; T188-K210 PolarHBondContact OG1-NZ 2.77Å; T188-P222 VanDerWaalsContact O-CB 3.29Å; T188-P222 WeakPolarHBondContact O-CB 3.36Å; T188-P222 VanDerWaalsContact O-CG 3.23Å; T188-P222 WeakPolarHBondContact O-CG 3.33Å; T188-Q527 HydrophobicContact CG2-CB 3.85Å; T188-L529 HydrophobicContact CG2-CD2 3.54Å | ||
| 189 | I | 96 | Very high | 96.7 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -76.1 | 116.2 | 175.7 | -48 | -175 | 0 | 0 | 0 | 109.3 | Q183 G187 F224 N226 L227 Q527 L546 | Q183-I189 HydrophobicContact CG-CG1 4.06Å; Q183-I189 VanDerWaalsContact OE1-N 3.08Å; G187-I189 PolarHBondContact O-N 3.01Å; I189-F224 HydrophobicContact CD1-CB 4Å; I189-F224 HydrophobicContact CD1-CD2 4.12Å; I189-F224 HydrophobicContact CD1-CG 4.21Å; I189-F224 HydrophobicContact CG1-CB 3.93Å; I189-F224 HydrophobicContact CG1-CD2 4.35Å; I189-F224 HydrophobicContact CG1-CG 4.5Å; I189-F224 HydrophobicContact CG2-CB 3.99Å; I189-N226 VanDerWaalsContact CG2-C 3.45Å; I189-L227 HydrophobicContact CB-CB 4.45Å; I189-L227 HydrophobicContact CD1-CB 4.17Å; I189-L227 HydrophobicContact CG2-CB 3.87Å; I189-Q527 PolarHBondContact O-NE2 2.8Å; I189-L546 HydrophobicContact CD1-CB 4.48Å; I189-L546 HydrophobicContact CD1-CD2 3.83Å | ||
| 190 | P | 95.2 | Very high | 96.7 | Very high | 24 Ų | 24 | 22.6 Ų | 22.6 | 16% | 0.156 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -67.2 | -45.6 | -167.9 | -21.7 | 31.7 | 0 | 0 | 0 | 114.7 | T188 P222 F224 D225 Q527 L529 | T188-P190 VanDerWaalsContact O-CD 3.27Å; T188-P190 WeakPolarHBondContact O-CD 3.39Å; P190-P222 HydrophobicContact CG-CB 4.02Å; P190-P222 HydrophobicContact CG-CG 4.12Å; P190-F224 WeakPolarHBondContact CD-O 3.32Å; P190-D225 WeakPolarHBondContact CD-O 3.44Å; P190-Q527 PolarHBondContact O-N 3.28Å; P190-L529 HydrophobicContact CB-CD1 3.98Å; P190-L529 HydrophobicContact CG-CD1 3.85Å |
| 191 | Q | 97.1 | Very high | 96.8 | Very high | 51 Ų | 51 | 23.4 Ų | 23.4 | 24% | 0.238 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 131.9 | -177 | -55.5 | -156.2 | -84.2 | 0 | 0 | 110.3 | F193 D225 N226 L227 E524 | Q191-F193 HydrophobicContact CB-CD2 4.47Å; Q191-F193 HydrophobicContact CB-CE2 3.69Å; Q191-F193 HydrophobicContact CB-CZ 4.21Å; Q191-D225 PolarHBondContact N-O 3.02Å; Q191-N226 CarbonylContact O-C 3.45Å; Q191-N226 WeakPolarHBondContact O-CA 3.48Å; Q191-N226 PolarHBondContact OE1-OD1 3.28Å; Q191-L227 PolarHBondContact O-N 2.89Å; Q191-E524 PolarHBondContact NE2-OE1 3.37Å |
| 192 | I | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 124.3 | 175.2 | -52.2 | 160.3 | 0 | 0 | 0 | 107.6 | A203 M206 I207 L227 L229 F523 E524 E525 Q527 | I192-A203 HydrophobicContact CG2-CB 4.36Å; I192-M206 HydrophobicContact CD1-CE 3.26Å; I192-M206 HydrophobicContact CG1-CE 3.97Å; I192-I207 HydrophobicContact CD1-CD1 4.12Å; I192-I207 HydrophobicContact CD1-CG1 4.22Å; I192-L227 CarbonylContact C-O 3.49Å; I192-L227 WeakPolarHBondContact CA-O 3.28Å; I192-L227 HydrophobicContact CG1-CB 4.41Å; I192-L227 HydrophobicContact CG1-CD2 4.33Å; I192-L227 HydrophobicContact CG2-CB 4.44Å; I192-L227 HydrophobicContact CG2-CD2 4.06Å; I192-L227 HydrophobicContact CG2-CG 4.27Å; I192-L229 HydrophobicContact CG2-CD1 4.32Å; I192-F523 HydrophobicContact CG2-CE2 4.27Å; I192-E524 CarbonylContact O-C 3.58Å; I192-E524 WeakPolarHBondContact O-CA 3.42Å; I192-E525 HydrophobicContact CB-CB 4.25Å; I192-E525 HydrophobicContact CD1-CB 4.46Å; I192-E525 PolarHBondContact N-O 2.85Å; I192-E525 PolarHBondContact O-N 3.31Å; I192-Q527 HydrophobicContact CD1-CG 3.72Å; I192-Q527 HydrophobicContact CG1-CG 4.39Å |
| 193 | F | 98.7 | Very high | 97.1 | Very high | 21 Ų | 21 | 21.1 Ų | 21.1 | 9% | 0.092 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 150.3 | 169.9 | -58.1 | -87.1 | 0 | 0 | 0 | 108.2 | Q191 N226 L227 L228 L229 L503 W508 F523 E524 | Q191-F193 HydrophobicContact CB-CD2 4.47Å; Q191-F193 HydrophobicContact CB-CE2 3.69Å; Q191-F193 HydrophobicContact CB-CZ 4.21Å; F193-N226 HydrophobicContact CD2-CB 4.4Å; F193-N226 HydrophobicContact CE2-CB 4.28Å; F193-L227 PolarHBondContact N-O 2.76Å; F193-L228 HydrophobicContact CB-CD1 3.98Å; F193-L228 CarbonylContact O-C 3.53Å; F193-L228 WeakPolarHBondContact O-CA 3.42Å; F193-L229 PolarHBondContact O-N 3.27Å; F193-L503 HydrophobicContact CB-CD1 4.31Å; F193-L503 HydrophobicContact CB-CD2 3.87Å; F193-L503 HydrophobicContact CD1-CD1 3.6Å; F193-L503 HydrophobicContact CD1-CD2 4.48Å; F193-L503 HydrophobicContact CD2-CD1 4.24Å; F193-L503 HydrophobicContact CD2-CD2 3.83Å; F193-L503 HydrophobicContact CD2-CG 4.48Å; F193-L503 HydrophobicContact CE1-CD1 3.87Å; F193-L503 HydrophobicContact CE2-CD1 4.48Å; F193-L503 HydrophobicContact CG-CD1 3.78Å; F193-L503 HydrophobicContact CG-CD2 3.8Å; F193-L503 HydrophobicContact CG-CG 4.38Å; F193-L503 HydrophobicContact CZ-CD1 4.31Å; F193-W508 HydrophobicContact CB-CZ3 4.34Å; F193-F523 WeakPolarHBondContact CA-O 3.47Å; F193-E524 HydrophobicContact CD1-CB 3.96Å; F193-E524 HydrophobicContact CD1-CG 3.94Å; F193-E524 HydrophobicContact CE1-CB 3.97Å; F193-E524 HydrophobicContact CE1-CG 3.5Å; F193-E524 HydrophobicContact CZ-CG 4.18Å |
| 194 | G | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 149.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L229 W508 H522 F523 | G194-L229 CarbonylContact C-O 3.55Å; G194-L229 WeakPolarHBondContact CA-O 3.29Å; G194-W508 WeakPolarHBondContact O-CZ3 3.27Å; G194-H522 CarbonylContact O-C 3.54Å; G194-H522 VanDerWaalsContact O-CA 3.24Å; G194-H522 WeakPolarHBondContact O-CA 3.36Å; G194-F523 PolarHBondContact N-O 2.89Å; G194-F523 VanDerWaalsContact N-O 3.08Å; G194-F523 WeakPolarHBondContact O-CD1 3.38Å; G194-F523 PolarHBondContact O-N 2.87Å |
| 195 | K | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 114.1 | 172.9 | 177.4 | 61.4 | -169.6 | 169.8 | 0 | 109 | L229 L230 D231 V234 L499 W508 L515 L518 P519 G520 P521 H522 | K195-L229 PolarHBondContact N-O 3.37Å; K195-L230 HydrophobicContact CB-CD2 3.88Å; K195-D231 PolarHBondContact O-N 2.98Å; K195-V234 HydrophobicContact CD-CG2 4.48Å; K195-V234 HydrophobicContact CG-CB 4.37Å; K195-V234 HydrophobicContact CG-CG1 3.77Å; K195-V234 HydrophobicContact CG-CG2 3.67Å; K195-L499 HydrophobicContact CG-CD1 4.49Å; K195-W508 HydrophobicContact CB-CH2 3.73Å; K195-W508 HydrophobicContact CB-CZ3 4.27Å; K195-L515 HydrophobicContact CD-CD2 4.36Å; K195-L515 PolarHBondContact NZ-O 3.17Å; K195-L518 VanDerWaalsContact CE-CB 3.42Å; K195-L518 PolarHBondContact NZ-O 2.98Å; K195-P519 WeakPolarHBondContact CE-O 3.3Å; K195-P519 PolarHBondContact NZ-O 2.97Å; K195-P519 VanDerWaalsContact NZ-O 3.07Å; K195-G520 PolarHBondContact NZ-O 3.4Å; K195-P521 CarbonylContact C-O 3.54Å; K195-P521 WeakPolarHBondContact CA-O 3.45Å; K195-H522 HydrophobicContact CD-CB 3.93Å |
| 196 | G | 98.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.01 | 11% | 0.11 | C | C | . | . | S | Bend | trans | 124.1 | 165.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | R200 D231 P521 | G196-R200 PolarHBondContact O-N 3.24Å; G196-D231 VanDerWaalsContact CA-CG 3.4Å; G196-D231 WeakPolarHBondContact CA-OD2 3.26Å; G196-P521 PolarHBondContact N-O 3.36Å |
| 197 | E | 98 | Very high | 97.4 | Very high | 106 Ų | 106 | 23.6 Ų | 23.6 | 50% | 0.495 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -74.6 | -42.3 | -179.7 | -67.9 | -62.6 | 162.5 | 0 | 0 | 111.1 | A199 R200 Q201 D231 P521 | E197-A199 VanDerWaalsContact C-N 3.31Å; E197-A199 PolarHBondContact O-N 2.94Å; E197-R200 PolarHBondContact O-N 2.89Å; E197-Q201 WeakPolarHBondContact O-CG 3.47Å; E197-Q201 PolarHBondContact O-N 3.36Å; E197-D231 PolarHBondContact N-OD2 3.3Å; E197-P521 VanDerWaalsContact CD-CD 3.49Å; E197-P521 WeakPolarHBondContact OE1-CD 3.36Å |
| 198 | C | 98.5 | Very high | 97.5 | Very high | 8 Ų | 8 | 31.2 Ų | 31.2 | 5% | 0.054 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.6 | -40.9 | 177.7 | -55.7 | 0 | 0 | 0 | 0 | 110.1 | L172 R200 Q201 V202 D231 L550 | L172-C198 HydrophobicContact CD1-CB 3.73Å; L172-C198 HydrophobicContact CD2-CB 3.7Å; L172-C198 HydrophobicContact CG-CB 4.39Å; C198-R200 VanDerWaalsContact C-N 3.32Å; C198-R200 PolarHBondContact O-N 3.44Å; C198-Q201 PolarHBondContact O-N 3.03Å; C198-Q201 VanDerWaalsContact O-N 3.14Å; C198-V202 WeakPolarHBondContact O-CG2 3.39Å; C198-V202 PolarHBondContact O-N 3.1Å; C198-D231 WeakPolarHBondContact CA-OD1 3.48Å; C198-D231 VanDerWaalsContact CB-OD1 3.27Å; C198-D231 WeakPolarHBondContact CB-OD1 3.34Å; C198-D231 WeakPolarHBondContact CB-OD2 3.44Å; C198-D231 PolarHBondContact N-OD1 3.17Å; C198-D231 PolarHBondContact N-OD2 3.48Å; C198-L550 HydrophobicContact CB-CB 4.33Å; C198-L550 HydrophobicContact CB-CD1 3.99Å |
| 199 | A | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -55.3 | -46 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E197 A203 L229 D231 F523 L550 | E197-A199 VanDerWaalsContact C-N 3.31Å; E197-A199 PolarHBondContact O-N 2.94Å; A199-A203 WeakPolarHBondContact O-CB 3.2Å; A199-A203 PolarHBondContact O-N 3.36Å; A199-L229 HydrophobicContact CB-CB 3.56Å; A199-L229 VanDerWaalsContact O-CD1 3.26Å; A199-L229 WeakPolarHBondContact O-CD1 3.38Å; A199-D231 WeakPolarHBondContact CB-OD1 3.44Å; A199-D231 PolarHBondContact N-OD1 2.9Å; A199-F523 HydrophobicContact CB-CE1 4.2Å; A199-F523 HydrophobicContact CB-CZ 4.44Å; A199-L550 VanDerWaalsContact CA-CD1 3.43Å; A199-L550 HydrophobicContact CB-CD1 4.08Å; A199-L550 VanDerWaalsContact N-CD1 3.32Å |
| 200 | R | 98.6 | Very high | 97.2 | Very high | 62 Ų | 62 | 35 Ų | 35 | 23% | 0.234 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.5 | -42.9 | 176.9 | 176.7 | 57.7 | 74.7 | 171.4 | 17.2 | 111.6 | G196 E197 C198 A203 N204 P521 F523 E525 | G196-R200 PolarHBondContact O-N 3.24Å; E197-R200 PolarHBondContact O-N 2.89Å; C198-R200 VanDerWaalsContact C-N 3.32Å; C198-R200 PolarHBondContact O-N 3.44Å; R200-A203 PolarHBondContact O-N 3.38Å; R200-N204 WeakPolarHBondContact O-CB 3.19Å; R200-N204 PolarHBondContact O-N 3.45Å; R200-N204 PolarHBondContact O-ND2 3.07Å; R200-P521 HydrophobicContact CB-CG 4.17Å; R200-F523 HydrophobicContact CB-CD1 4.42Å; R200-F523 HydrophobicContact CB-CE1 3.86Å; R200-F523 HydrophobicContact CB-CZ 4.48Å; R200-F523 VanDerWaalsContact CZ-CB 3.5Å; R200-E525 IonicContact CZ-OE1 3.71Å; R200-E525 IonicContact NH1-OE1 3.31Å; R200-E525 PolarHBondContact NH1-OE1 3.21Å |
| 201 | Q | 98.4 | Very high | 96.9 | Very high | 54 Ų | 54 | 43 Ų | 43 | 25% | 0.252 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.4 | -46 | 178.9 | -68.3 | 174.8 | 27.2 | 0 | 0 | 112.1 | Q169 L172 E197 C198 A203 N204 M205 | Q169-Q201 VanDerWaalsContact NE2-OE1 3.09Å; L172-Q201 HydrophobicContact CD1-CB 4.32Å; E197-Q201 WeakPolarHBondContact O-CG 3.47Å; E197-Q201 PolarHBondContact O-N 3.36Å; C198-Q201 PolarHBondContact O-N 3.03Å; C198-Q201 VanDerWaalsContact O-N 3.14Å; Q201-A203 PolarHBondContact O-N 2.81Å; Q201-N204 PolarHBondContact O-N 2.89Å; Q201-M205 WeakPolarHBondContact O-CG 3.49Å; Q201-M205 PolarHBondContact O-N 2.83Å |
| 202 | V | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.1 | -46.7 | 176.7 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | L172 A175 A176 L179 C198 N204 M205 M206 L229 L550 | L172-V202 HydrophobicContact CB-CG2 3.83Å; L172-V202 HydrophobicContact CD2-CG2 3.99Å; L172-V202 HydrophobicContact CG-CG2 4.4Å; A175-V202 HydrophobicContact CB-CG1 4.36Å; A175-V202 HydrophobicContact CB-CG2 4.18Å; A176-V202 HydrophobicContact CB-CG1 4.29Å; L179-V202 HydrophobicContact CD1-CG1 3.64Å; C198-V202 WeakPolarHBondContact O-CG2 3.39Å; C198-V202 PolarHBondContact O-N 3.1Å; V202-N204 VanDerWaalsContact C-N 3.35Å; V202-N204 PolarHBondContact O-N 3.41Å; V202-M205 HydrophobicContact CG2-CE 4.48Å; V202-M205 PolarHBondContact O-N 2.98Å; V202-M206 WeakPolarHBondContact O-CB 3.34Å; V202-M206 PolarHBondContact O-N 2.63Å; V202-L229 HydrophobicContact CB-CD1 4.19Å; V202-L229 HydrophobicContact CG1-CD1 4.02Å; V202-L229 HydrophobicContact CG1-CD2 4.28Å; V202-L550 HydrophobicContact CB-CD1 4.29Å; V202-L550 HydrophobicContact CG2-CD1 3.85Å; V202-L550 HydrophobicContact CG2-CD2 3.97Å |
| 203 | A | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.5 | -46.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I192 A199 R200 Q201 M206 I207 L229 F523 | I192-A203 HydrophobicContact CG2-CB 4.36Å; A199-A203 WeakPolarHBondContact O-CB 3.2Å; A199-A203 PolarHBondContact O-N 3.36Å; R200-A203 PolarHBondContact O-N 3.38Å; Q201-A203 PolarHBondContact O-N 2.81Å; A203-M206 PolarHBondContact O-N 3.37Å; A203-I207 WeakPolarHBondContact O-CB 3.45Å; A203-I207 WeakPolarHBondContact O-CD1 3.25Å; A203-I207 VanDerWaalsContact O-CG1 3.24Å; A203-I207 WeakPolarHBondContact O-CG1 3.42Å; A203-I207 PolarHBondContact O-N 3.31Å; A203-L229 HydrophobicContact CB-CD1 3.86Å; A203-F523 HydrophobicContact CB-CE2 3.78Å; A203-F523 HydrophobicContact CB-CZ 3.76Å |
| 204 | N | 98.3 | Very high | 93.8 | Very high | 84 Ų | 84 | 57.7 Ų | 57.7 | 45% | 0.449 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.7 | -45 | 178.7 | -72.1 | -12.8 | 0 | 0 | 0 | 112 | R200 Q201 V202 R208 | R200-N204 WeakPolarHBondContact O-CB 3.19Å; R200-N204 PolarHBondContact O-N 3.45Å; R200-N204 PolarHBondContact O-ND2 3.07Å; Q201-N204 PolarHBondContact O-N 2.89Å; V202-N204 VanDerWaalsContact C-N 3.35Å; V202-N204 PolarHBondContact O-N 3.41Å; N204-R208 VanDerWaalsContact O-CB 3.26Å; N204-R208 WeakPolarHBondContact O-CB 3.44Å; N204-R208 PolarHBondContact O-N 2.86Å |
| 205 | M | 98.1 | Very high | 91.8 | Very high | 43 Ų | 43 | 60.8 Ų | 60.8 | 21% | 0.212 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.1 | -47.8 | 176.7 | -75.7 | -169.8 | -73.6 | 0 | 0 | 111.5 | L172 Y173 A176 Q201 V202 I207 R208 M209 | L172-M205 VanDerWaalsContact C-CE 3.43Å; L172-M205 HydrophobicContact CB-CE 3.66Å; L172-M205 WeakPolarHBondContact O-CE 3.45Å; Y173-M205 HydrophobicContact CD2-SD 4.41Å; A176-M205 HydrophobicContact CB-CB 3.73Å; Q201-M205 WeakPolarHBondContact O-CG 3.49Å; Q201-M205 PolarHBondContact O-N 2.83Å; V202-M205 HydrophobicContact CG2-CE 4.48Å; V202-M205 PolarHBondContact O-N 2.98Å; M205-I207 PolarHBondContact O-N 3Å; M205-R208 PolarHBondContact O-N 3Å; M205-M209 WeakPolarHBondContact O-CB 3.46Å; M205-M209 VanDerWaalsContact O-CG 3.25Å; M205-M209 WeakPolarHBondContact O-CG 3.21Å; M205-M209 PolarHBondContact O-N 3.02Å |
| 206 | M | 95.8 | Very high | 90 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.7 | -47.2 | 178.8 | -177 | -172.4 | 67 | 0 | 0 | 111.7 | A176 L179 M180 I192 V202 A203 R208 M209 K210 L227 | A176-M206 HydrophobicContact CB-CB 4.32Å; L179-M206 HydrophobicContact CB-CG 4.33Å; L179-M206 HydrophobicContact CB-SD 3.67Å; L179-M206 HydrophobicContact CD1-SD 4.05Å; L179-M206 HydrophobicContact CG-SD 4.38Å; M180-M206 HydrophobicContact CG-CG 4.1Å; M180-M206 HydrophobicContact SD-CG 3.76Å; I192-M206 HydrophobicContact CD1-CE 3.26Å; I192-M206 HydrophobicContact CG1-CE 3.97Å; V202-M206 WeakPolarHBondContact O-CB 3.34Å; V202-M206 PolarHBondContact O-N 2.63Å; A203-M206 PolarHBondContact O-N 3.37Å; M206-R208 VanDerWaalsContact C-N 3.32Å; M206-R208 PolarHBondContact O-N 3.23Å; M206-M209 PolarHBondContact O-N 3.2Å; M206-K210 PolarHBondContact O-N 3.38Å; M206-K210 VanDerWaalsContact O-N 3.08Å; M206-L227 HydrophobicContact CE-CD2 3.87Å; M206-L227 HydrophobicContact SD-CD2 4.04Å |
| 207 | I | 94.6 | Very high | 88.4 | Confident | 31 Ų | 31 | 71.7 Ų | 71.7 | 16% | 0.159 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 178.4 | -68.9 | 166.3 | 0 | 0 | 0 | 110.8 | I192 A203 M205 R211 E525 | I192-I207 HydrophobicContact CD1-CD1 4.12Å; I192-I207 HydrophobicContact CD1-CG1 4.22Å; A203-I207 WeakPolarHBondContact O-CB 3.45Å; A203-I207 WeakPolarHBondContact O-CD1 3.25Å; A203-I207 VanDerWaalsContact O-CG1 3.24Å; A203-I207 WeakPolarHBondContact O-CG1 3.42Å; A203-I207 PolarHBondContact O-N 3.31Å; M205-I207 PolarHBondContact O-N 3Å; I207-R211 WeakPolarHBondContact O-CG 3.44Å; I207-R211 PolarHBondContact O-N 2.82Å; I207-E525 HydrophobicContact CD1-CB 4.46Å; I207-E525 HydrophobicContact CD1-CG 4.5Å |
| 208 | R | 94.9 | Very high | 87 | Confident | 160 Ų | 160 | 68.6 Ų | 68.6 | 60% | 0.604 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -65.2 | -49.4 | 177.2 | 179.9 | -179.4 | 167.4 | -173.1 | -5 | 111.9 | N204 M205 M206 K210 R211 E212 | N204-R208 VanDerWaalsContact O-CB 3.26Å; N204-R208 WeakPolarHBondContact O-CB 3.44Å; N204-R208 PolarHBondContact O-N 2.86Å; M205-R208 PolarHBondContact O-N 3Å; M206-R208 VanDerWaalsContact C-N 3.32Å; M206-R208 PolarHBondContact O-N 3.23Å; R208-K210 PolarHBondContact O-N 3.13Å; R208-R211 WeakPolarHBondContact O-CB 3.45Å; R208-R211 PolarHBondContact O-N 2.83Å; R208-E212 IonicContact CZ-OE1 3.32Å; R208-E212 IonicContact NE-OE1 3.43Å; R208-E212 PolarHBondContact NE-OE1 3.2Å; R208-E212 IonicContact NH2-OE1 2.97Å; R208-E212 PolarHBondContact NH2-OE1 2.81Å; R208-E212 PolarHBondContact O-N 2.76Å |
| 209 | M | 94.6 | Very high | 86.2 | Confident | 38 Ų | 38 | 73.1 Ų | 73.1 | 19% | 0.187 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -53.7 | -43.2 | 176.7 | -73.5 | 171.1 | 176.6 | 0 | 0 | 111.2 | Y173 A176 M180 M205 M206 R211 E212 F213 | Y173-M209 HydrophobicContact CD2-CE 3.54Å; Y173-M209 HydrophobicContact CE2-CE 3.27Å; Y173-M209 HydrophobicContact CG-CE 4.4Å; A176-M209 HydrophobicContact CB-CE 4.15Å; A176-M209 HydrophobicContact CB-SD 4.11Å; M180-M209 HydrophobicContact CG-CB 4.02Å; M180-M209 HydrophobicContact CG-SD 4.02Å; M180-M209 HydrophobicContact SD-CB 4.37Å; M205-M209 WeakPolarHBondContact O-CB 3.46Å; M205-M209 VanDerWaalsContact O-CG 3.25Å; M205-M209 WeakPolarHBondContact O-CG 3.21Å; M205-M209 PolarHBondContact O-N 3.02Å; M206-M209 PolarHBondContact O-N 3.2Å; M209-R211 PolarHBondContact O-N 3.21Å; M209-E212 PolarHBondContact O-N 3.06Å; M209-F213 PolarHBondContact O-N 3Å |
| 210 | K | 90 | Very high | 85.7 | Confident | 51 Ų | 51 | 76.4 Ų | 76.4 | 22% | 0.222 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.5 | -38.5 | 176.8 | -171 | -179.5 | -176.4 | -179.4 | 0 | 113.5 | M180 T188 M206 R208 E212 F213 Q527 | M180-K210 HydrophobicContact CE-CB 3.82Å; M180-K210 HydrophobicContact CE-CG 4.26Å; M180-K210 HydrophobicContact SD-CB 4.01Å; T188-K210 PolarHBondContact OG1-NZ 2.77Å; M206-K210 PolarHBondContact O-N 3.38Å; M206-K210 VanDerWaalsContact O-N 3.08Å; R208-K210 PolarHBondContact O-N 3.13Å; K210-E212 VanDerWaalsContact C-N 3.34Å; K210-F213 PolarHBondContact O-N 3Å; K210-Q527 VanDerWaalsContact CD-OE1 3.31Å |
| 211 | R | 88.5 | Confident | 85.4 | Confident | 193 Ų | 193 | 79.2 Ų | 79.2 | 73% | 0.728 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -68.2 | -36 | 177.1 | -70.4 | 173.8 | -176.2 | -179.5 | 2.4 | 111.9 | I207 R208 M209 F213 T214 | I207-R211 WeakPolarHBondContact O-CG 3.44Å; I207-R211 PolarHBondContact O-N 2.82Å; R208-R211 WeakPolarHBondContact O-CB 3.45Å; R208-R211 PolarHBondContact O-N 2.83Å; M209-R211 PolarHBondContact O-N 3.21Å; R211-F213 VanDerWaalsContact C-N 3.34Å; R211-T214 WeakPolarHBondContact O-CG2 3.35Å |
| 212 | E | 89.1 | Confident | 85.2 | Confident | 118 Ų | 118 | 77.2 Ų | 77.2 | 55% | 0.551 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -73 | -29.3 | 177.6 | -67.8 | 173.1 | -178.9 | 0 | 0 | 111.4 | R208 M209 K210 T214 | R208-E212 IonicContact CZ-OE1 3.32Å; R208-E212 IonicContact NE-OE1 3.43Å; R208-E212 PolarHBondContact NE-OE1 3.2Å; R208-E212 IonicContact NH2-OE1 2.97Å; R208-E212 PolarHBondContact NH2-OE1 2.81Å; R208-E212 PolarHBondContact O-N 2.76Å; M209-E212 PolarHBondContact O-N 3.06Å; K210-E212 VanDerWaalsContact C-N 3.34Å; E212-T214 VanDerWaalsContact C-N 3.29Å; E212-T214 PolarHBondContact O-N 2.95Å |
| 213 | F | 81.2 | Confident | 85 | Confident | 133 Ų | 133 | 79.5 Ų | 79.5 | 58% | 0.583 | 41% | 0.41 | S | S | * | . | trans | -80.9 | 68.7 | 174.5 | -152 | -94.9 | 0 | 0 | 0 | 112 | M209 K210 R211 G215 | M209-F213 PolarHBondContact O-N 3Å; K210-F213 PolarHBondContact O-N 3Å; R211-F213 VanDerWaalsContact C-N 3.34Å; F213-G215 PolarHBondContact O-N 3.19Å | ||
| 214 | T | 59.2 | Low | 84.8 | Confident | 130 Ų | 130 | 79.6 Ų | 79.6 | 80% | 0.798 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -9.3 | -177.6 | 53.7 | 0 | 0 | 0 | 0 | 114.5 | R211 E212 | R211-T214 WeakPolarHBondContact O-CG2 3.35Å; E212-T214 VanDerWaalsContact C-N 3.29Å; E212-T214 PolarHBondContact O-N 2.95Å |
| 215 | G | 57.7 | Low | 84.7 | Confident | 65 Ų | 65 | 76.8 Ų | 76.8 | 67% | 0.67 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -8.3 | -167.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | F213 | F213-G215 PolarHBondContact O-N 3.19Š|
| 216 | S | 59.9 | Low | 84.7 | Confident | 73 Ų | 73 | 75.1 Ų | 75.1 | 51% | 0.51 | 39% | 0.387 | S | S | . | . | trans | -151.1 | 102.4 | 179.5 | -60 | 0 | 0 | 0 | 0 | 110.7 | N218 | S216-N218 PolarHBondContact O-N 3.34Å; S216-N218 VanDerWaalsContact O-N 3.16Å | ||
| 217 | Q | 64.7 | Low | 84.8 | Confident | 157 Ų | 157 | 75.1 Ų | 75.1 | 73% | 0.734 | 39% | 0.387 | S | S | * | . | trans | -64.1 | 115.1 | 162.2 | -69 | -69.4 | -22.6 | 0 | 0 | 107 | S219 | Q217-S219 PolarHBondContact O-N 3.23Š| ||
| 218 | N | 68.5 | Low | 85 | Confident | 41 Ų | 41 | 73.6 Ų | 73.6 | 22% | 0.219 | 38% | 0.379 | C | S | . | . | trans | -57.1 | 113.1 | 175.9 | -71.8 | -5.9 | 0 | 0 | 0 | 108.4 | Q183 S216 L533 | Q183-N218 PolarHBondContact O-ND2 2.91Å; S216-N218 PolarHBondContact O-N 3.34Å; S216-N218 VanDerWaalsContact O-N 3.16Å; N218-L533 WeakPolarHBondContact O-CD1 3.38Å | ||
| 219 | S | 81.1 | Confident | 85.2 | Confident | 102 Ų | 102 | 66 Ų | 66 | 71% | 0.713 | 35% | 0.35 | S | S | * | . | trans | -85.3 | 2.9 | 177.3 | 53.6 | 0 | 0 | 0 | 0 | 112.9 | Q217 | Q217-S219 PolarHBondContact O-N 3.23Š| ||
| 220 | I | 90 | Very high | 85.4 | Confident | 69 Ų | 69 | 64.3 Ų | 64.3 | 35% | 0.354 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -85.6 | 129.4 | -177.9 | -54.6 | 178.6 | 0 | 0 | 0 | 109.2 | A184 G187 | A184-I220 VanDerWaalsContact O-CD1 3.24Å; A184-I220 WeakPolarHBondContact O-CD1 3.2Å; G187-I220 WeakPolarHBondContact CA-O 3.46Å |
| 221 | F | 91.6 | Very high | 85.8 | Confident | 121 Ų | 121 | 62.2 Ų | 62.2 | 53% | 0.531 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 133.8 | 171.9 | -79.7 | -82.8 | 0 | 0 | 0 | 110.5 | V223 G532 L533 | F221-V223 PolarHBondContact O-N 2.9Å; F221-G532 VanDerWaalsContact CE1-O 3.27Å; F221-G532 WeakPolarHBondContact CE1-O 3.22Å; F221-G532 WeakPolarHBondContact CZ-O 3.29Å; F221-L533 HydrophobicContact CD1-CD2 3.9Å; F221-L533 HydrophobicContact CD2-CD2 4.08Å; F221-L533 HydrophobicContact CE1-CD2 3.94Å; F221-L533 HydrophobicContact CE2-CD2 4.12Å; F221-L533 HydrophobicContact CG-CD2 3.97Å; F221-L533 HydrophobicContact CZ-CD2 4.05Å |
| 222 | P | 93.8 | Very high | 86.2 | Confident | 12 Ų | 12 | 53 Ų | 53 | 8% | 0.078 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 121 | 176.8 | -24.9 | 34.3 | 0 | 0 | 0 | 111.9 | T188 P190 L529 | T188-P222 VanDerWaalsContact O-CB 3.29Å; T188-P222 WeakPolarHBondContact O-CB 3.36Å; T188-P222 VanDerWaalsContact O-CG 3.23Å; T188-P222 WeakPolarHBondContact O-CG 3.33Å; P190-P222 HydrophobicContact CG-CB 4.02Å; P190-P222 HydrophobicContact CG-CG 4.12Å; P222-L529 HydrophobicContact CG-CD1 4.21Å; P222-L529 HydrophobicContact CG-CD2 4.13Å |
| 223 | V | 94.5 | Very high | 86.6 | Confident | 49 Ų | 49 | 49.6 Ų | 49.6 | 30% | 0.297 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -80.1 | -41.8 | 169.8 | 178.5 | 0 | 0 | 0 | 0 | 110.2 | V10 Y186 F221 | V10-V223 HydrophobicContact CG1-CG1 4.49Å; V10-V223 HydrophobicContact CG2-CG1 3.8Å; Y186-V223 HydrophobicContact CD1-CG2 4.35Å; Y186-V223 PolarHBondContact O-N 3.2Å; F221-V223 PolarHBondContact O-N 2.9Å |
| 224 | F | 95.6 | Very high | 87.4 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | trans | -86.8 | 134 | 173.9 | -58.7 | -76.9 | 0 | 0 | 0 | 110.7 | V10 Y186 I189 P190 V544 L546 V575 | V10-F224 HydrophobicContact CB-CZ 4.49Å; V10-F224 HydrophobicContact CG1-CE1 4.37Å; V10-F224 HydrophobicContact CG1-CE2 4.37Å; V10-F224 HydrophobicContact CG1-CZ 3.76Å; V10-F224 HydrophobicContact CG2-CD1 4.45Å; V10-F224 HydrophobicContact CG2-CE1 3.78Å; V10-F224 HydrophobicContact CG2-CZ 4.02Å; Y186-F224 AromaticContact CD2-CE2 3.99Å; Y186-F224 HydrophobicContact CD2-CE2 3.99Å; Y186-F224 AromaticContact CG-CE2 3.95Å; Y186-F224 HydrophobicContact CG-CE2 3.95Å; I189-F224 HydrophobicContact CD1-CB 4Å; I189-F224 HydrophobicContact CD1-CD2 4.12Å; I189-F224 HydrophobicContact CD1-CG 4.21Å; I189-F224 HydrophobicContact CG1-CB 3.93Å; I189-F224 HydrophobicContact CG1-CD2 4.35Å; I189-F224 HydrophobicContact CG1-CG 4.5Å; I189-F224 HydrophobicContact CG2-CB 3.99Å; P190-F224 WeakPolarHBondContact CD-O 3.32Å; F224-V544 HydrophobicContact CD1-CG1 3.74Å; F224-V544 HydrophobicContact CE1-CG1 4.1Å; F224-L546 HydrophobicContact CD1-CB 3.71Å; F224-L546 HydrophobicContact CE1-CB 3.92Å; F224-L546 HydrophobicContact CE1-CD1 4.34Å; F224-L546 HydrophobicContact CG-CB 4.23Å; F224-V575 HydrophobicContact CE1-CB 3.87Å; F224-V575 HydrophobicContact CE1-CG1 4.15Å; F224-V575 HydrophobicContact CE1-CG2 3.93Å; F224-V575 HydrophobicContact CZ-CG1 4.46Å | ||
| 225 | D | 95.1 | Very high | 89.3 | Confident | 25 Ų | 25 | 37.7 Ų | 37.7 | 13% | 0.134 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -87.6 | -40.6 | 174.8 | -63 | -81.7 | 0 | 0 | 0 | 111.9 | P190 Q191 R537 R543 V544 | P190-D225 WeakPolarHBondContact CD-O 3.44Å; Q191-D225 PolarHBondContact N-O 3.02Å; D225-R537 IonicContact OD1-CZ 3.37Å; D225-R537 IonicContact OD1-NH1 2.63Å; D225-R537 PolarHBondContact OD1-NH1 3.22Å; D225-R537 IonicContact OD2-CZ 2.74Å; D225-R537 IonicContact OD2-NH1 2.7Å; D225-R537 PolarHBondContact OD2-NH1 3.25Å; D225-R537 IonicContact OD2-NH2 2.62Å; D225-R543 HydrophobicContact CB-CB 4.35Å; D225-R543 VanDerWaalsContact OD2-CA 3.25Å; D225-R543 WeakPolarHBondContact OD2-CA 3.46Å; D225-V544 PolarHBondContact N-O 3.17Å; D225-V544 PolarHBondContact OD2-N 3.35Å |
| 226 | N | 97.2 | Very high | 91.2 | Very high | 8 Ų | 8 | 35.4 Ų | 35.4 | 4% | 0.043 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 143.4 | -175.3 | -49.5 | -50.3 | 0 | 0 | 0 | 110.4 | I189 Q191 F193 V544 T545 L546 | I189-N226 VanDerWaalsContact CG2-C 3.45Å; Q191-N226 CarbonylContact O-C 3.45Å; Q191-N226 WeakPolarHBondContact O-CA 3.48Å; Q191-N226 PolarHBondContact OE1-OD1 3.28Å; F193-N226 HydrophobicContact CD2-CB 4.4Å; F193-N226 HydrophobicContact CE2-CB 4.28Å; N226-V544 PolarHBondContact N-O 2.92Å; N226-T545 HydrophobicContact CB-CG2 3.97Å; N226-T545 PolarHBondContact ND2-OG1 3.17Å; N226-T545 VanDerWaalsContact ND2-OG1 3.09Å; N226-T545 WeakPolarHBondContact O-CA 3.36Å; N226-L546 PolarHBondContact O-N 3.36Å |
| 227 | L | 98.7 | Very high | 93 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 128.4 | 160.9 | 172.2 | 60.5 | 0 | 0 | 0 | 107.4 | L179 I189 Q191 I192 F193 M206 L229 L546 F548 | L179-L227 HydrophobicContact CD1-CD2 4.06Å; L179-L227 HydrophobicContact CD2-CD1 3.74Å; L179-L227 HydrophobicContact CD2-CD2 3.96Å; I189-L227 HydrophobicContact CB-CB 4.45Å; I189-L227 HydrophobicContact CD1-CB 4.17Å; I189-L227 HydrophobicContact CG2-CB 3.87Å; Q191-L227 PolarHBondContact O-N 2.89Å; I192-L227 CarbonylContact C-O 3.49Å; I192-L227 WeakPolarHBondContact CA-O 3.28Å; I192-L227 HydrophobicContact CG1-CB 4.41Å; I192-L227 HydrophobicContact CG1-CD2 4.33Å; I192-L227 HydrophobicContact CG2-CB 4.44Å; I192-L227 HydrophobicContact CG2-CD2 4.06Å; I192-L227 HydrophobicContact CG2-CG 4.27Å; F193-L227 PolarHBondContact N-O 2.76Å; M206-L227 HydrophobicContact CE-CD2 3.87Å; M206-L227 HydrophobicContact SD-CD2 4.04Å; L227-L229 HydrophobicContact CD1-CD2 3.78Å; L227-L229 HydrophobicContact CD1-CG 4.42Å; L227-L229 HydrophobicContact CD2-CD1 4.49Å; L227-L229 HydrophobicContact CD2-CD2 4Å; L227-L229 HydrophobicContact CD2-CG 4.23Å; L227-L229 HydrophobicContact CG-CD2 3.93Å; L227-L229 HydrophobicContact CG-CG 4.08Å; L227-L546 CarbonylContact C-O 3.57Å; L227-L546 WeakPolarHBondContact CA-O 3.35Å; L227-L546 HydrophobicContact CD1-CB 4.28Å; L227-L546 HydrophobicContact CD1-CD2 4.01Å; L227-L546 HydrophobicContact CD1-CG 4Å; L227-F548 HydrophobicContact CD1-CB 4.45Å |
| 228 | L | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 113.3 | 171.2 | 170.1 | 56.7 | 0 | 0 | 0 | 109.1 | F193 L230 A500 L503 W508 T545 L546 I547 F548 | F193-L228 HydrophobicContact CB-CD1 3.98Å; F193-L228 CarbonylContact O-C 3.53Å; F193-L228 WeakPolarHBondContact O-CA 3.42Å; L228-L230 HydrophobicContact CD1-CD2 3.77Å; L228-L230 HydrophobicContact CD1-CG 4.07Å; L228-L230 HydrophobicContact CD2-CD1 4.03Å; L228-L230 HydrophobicContact CD2-CD2 4.37Å; L228-L230 HydrophobicContact CD2-CG 4.19Å; L228-L230 HydrophobicContact CG-CD1 4.25Å; L228-L230 HydrophobicContact CG-CD2 4.13Å; L228-L230 HydrophobicContact CG-CG 3.89Å; L228-A500 HydrophobicContact CD2-CB 3.78Å; L228-L503 HydrophobicContact CB-CD2 4.12Å; L228-L503 HydrophobicContact CD1-CD2 3.98Å; L228-L503 HydrophobicContact CD2-CD2 3.85Å; L228-L503 HydrophobicContact CG-CD2 4.18Å; L228-W508 HydrophobicContact CD1-CH2 3.46Å; L228-W508 VanDerWaalsContact CD1-CH2 3.46Å; L228-W508 HydrophobicContact CD1-CZ2 3.68Å; L228-W508 HydrophobicContact CD1-CZ3 4.48Å; L228-T545 HydrophobicContact CB-CG2 4.3Å; L228-L546 PolarHBondContact N-O 2.75Å; L228-I547 HydrophobicContact CB-CG1 4.28Å; L228-I547 HydrophobicContact CD2-CD1 4.39Å; L228-I547 HydrophobicContact CD2-CG1 4.26Å; L228-I547 HydrophobicContact CD2-CG2 4.39Å; L228-I547 HydrophobicContact CG-CG2 4.35Å; L228-I547 CarbonylContact O-C 3.55Å; L228-I547 WeakPolarHBondContact O-CA 3.27Å; L228-F548 PolarHBondContact O-N 2.85Å |
| 229 | L | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 122 | 175.5 | -58.4 | 176.9 | 0 | 0 | 0 | 110 | L179 I192 F193 G194 K195 A199 V202 A203 L227 F548 L550 | L179-L229 HydrophobicContact CD1-CD2 3.99Å; I192-L229 HydrophobicContact CG2-CD1 4.32Å; F193-L229 PolarHBondContact O-N 3.27Å; G194-L229 CarbonylContact C-O 3.55Å; G194-L229 WeakPolarHBondContact CA-O 3.29Å; K195-L229 PolarHBondContact N-O 3.37Å; A199-L229 HydrophobicContact CB-CB 3.56Å; A199-L229 VanDerWaalsContact O-CD1 3.26Å; A199-L229 WeakPolarHBondContact O-CD1 3.38Å; V202-L229 HydrophobicContact CB-CD1 4.19Å; V202-L229 HydrophobicContact CG1-CD1 4.02Å; V202-L229 HydrophobicContact CG1-CD2 4.28Å; A203-L229 HydrophobicContact CB-CD1 3.86Å; L227-L229 HydrophobicContact CD1-CD2 3.78Å; L227-L229 HydrophobicContact CD1-CG 4.42Å; L227-L229 HydrophobicContact CD2-CD1 4.49Å; L227-L229 HydrophobicContact CD2-CD2 4Å; L227-L229 HydrophobicContact CD2-CG 4.23Å; L227-L229 HydrophobicContact CG-CD2 3.93Å; L227-L229 HydrophobicContact CG-CG 4.08Å; L229-F548 HydrophobicContact CD2-CB 3.61Å; L229-F548 HydrophobicContact CD2-CG 4.37Å; L229-L550 HydrophobicContact CB-CD1 4.5Å |
| 230 | L | 98.8 | Very high | 96.9 | Very high | 3 Ų | 3 | 18 Ų | 18 | 2% | 0.016 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 118.9 | -179.3 | -67.3 | 178.1 | 0 | 0 | 0 | 110.9 | K195 L228 W508 I547 F548 F549 L550 | K195-L230 HydrophobicContact CB-CD2 3.88Å; L228-L230 HydrophobicContact CD1-CD2 3.77Å; L228-L230 HydrophobicContact CD1-CG 4.07Å; L228-L230 HydrophobicContact CD2-CD1 4.03Å; L228-L230 HydrophobicContact CD2-CD2 4.37Å; L228-L230 HydrophobicContact CD2-CG 4.19Å; L228-L230 HydrophobicContact CG-CD1 4.25Å; L228-L230 HydrophobicContact CG-CD2 4.13Å; L228-L230 HydrophobicContact CG-CG 3.89Å; L230-W508 HydrophobicContact CD2-CH2 4.43Å; L230-W508 HydrophobicContact CD2-CZ2 4.45Å; L230-I547 HydrophobicContact CD1-CG2 4.01Å; L230-I547 HydrophobicContact CG-CG2 4.47Å; L230-F548 PolarHBondContact N-O 2.9Å; L230-F549 HydrophobicContact CD1-CE1 4.25Å; L230-F549 HydrophobicContact CD1-CZ 4.4Å; L230-L550 PolarHBondContact O-N 3Å |
| 231 | D | 98.7 | Very high | 97.3 | Very high | 6 Ų | 6 | 14.7 Ų | 14.7 | 3% | 0.032 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 134.7 | 168.3 | -83.1 | 36.2 | 0 | 0 | 0 | 110.5 | Y164 K195 G196 E197 C198 A199 N233 V234 | Y164-D231 VanDerWaalsContact OH-CB 3.25Å; Y164-D231 WeakPolarHBondContact OH-CB 3.38Å; Y164-D231 PolarHBondContact OH-OD2 3.3Å; K195-D231 PolarHBondContact O-N 2.98Å; G196-D231 VanDerWaalsContact CA-CG 3.4Å; G196-D231 WeakPolarHBondContact CA-OD2 3.26Å; E197-D231 PolarHBondContact N-OD2 3.3Å; C198-D231 WeakPolarHBondContact CA-OD1 3.48Å; C198-D231 VanDerWaalsContact CB-OD1 3.27Å; C198-D231 WeakPolarHBondContact CB-OD1 3.34Å; C198-D231 WeakPolarHBondContact CB-OD2 3.44Å; C198-D231 PolarHBondContact N-OD1 3.17Å; C198-D231 PolarHBondContact N-OD2 3.48Å; A199-D231 WeakPolarHBondContact CB-OD1 3.44Å; A199-D231 PolarHBondContact N-OD1 2.9Å; D231-N233 PolarHBondContact O-N 3.4Å; D231-V234 HydrophobicContact CB-CG2 3.83Å; D231-V234 VanDerWaalsContact O-CB 3.25Å; D231-V234 WeakPolarHBondContact O-CB 3.49Å; D231-V234 WeakPolarHBondContact O-CG2 3.33Å; D231-V234 PolarHBondContact O-N 2.89Å |
| 232 | R | 98 | Very high | 97.6 | Very high | 1 Ų | 1 | 9 Ų | 9 | 0% | 0.004 | 5% | 0.051 | C | C | . | . | G | 310 helix | trans | -58.6 | -34.8 | 173.2 | 179.7 | 70.8 | -68.2 | 159.2 | -0 | 111.8 | F160 V234 D235 L550 G552 E557 W587 | F160-R232 HydrophobicContact CD2-CB 3.85Å; F160-R232 HydrophobicContact CD2-CG 3.76Å; F160-R232 HydrophobicContact CE2-CB 3.98Å; F160-R232 HydrophobicContact CE2-CG 3.77Å; R232-V234 PolarHBondContact O-N 3.21Å; R232-V234 VanDerWaalsContact O-N 3.08Å; R232-D235 PolarHBondContact NE-O 3.05Å; R232-D235 PolarHBondContact NH2-O 2.85Å; R232-D235 VanDerWaalsContact NH2-O 3.15Å; R232-D235 IonicContact NH2-OD2 3.77Å; R232-D235 PolarHBondContact NH2-OD2 3.04Å; R232-D235 CarbonylContact O-C 3.6Å; R232-D235 PolarHBondContact O-N 3.21Å; R232-L550 WeakPolarHBondContact CB-O 3.34Å; R232-L550 PolarHBondContact N-O 3.16Å; R232-G552 WeakPolarHBondContact CD-O 3.45Å; R232-G552 PolarHBondContact NH1-O 3.22Å; R232-G552 VanDerWaalsContact NH1-O 3.11Å; R232-E557 IonicContact CZ-OE1 3.15Å; R232-E557 VanDerWaalsContact CZ-OE1 3.27Å; R232-E557 VanDerWaalsContact NH1-CD 3.25Å; R232-E557 IonicContact NH1-OE1 3.98Å; R232-E557 PolarHBondContact NH1-OE1 3.4Å; R232-E557 IonicContact NH1-OE2 3.76Å; R232-E557 PolarHBondContact NH1-OE2 3.17Å; R232-E557 IonicContact NH2-OE1 3Å; R232-E557 PolarHBondContact NH2-OE1 3.14Å; R232-W587 HydrophobicContact CG-CZ2 4.31Å |
| 233 | N | 96.9 | Very high | 97.9 | Very high | 46 Ų | 46 | 8.4 Ų | 8.4 | 25% | 0.246 | 5% | 0.047 | C | C | . | . | G | 310 helix | trans | -62.2 | -15 | 178.3 | -168.9 | 41.4 | 0 | 0 | 0 | 114 | Y164 D231 D235 P519 | Y164-N233 HydrophobicContact CD1-CB 4.2Å; Y164-N233 HydrophobicContact CE1-CB 3.51Å; Y164-N233 HydrophobicContact CE2-CB 4.13Å; Y164-N233 VanDerWaalsContact CZ-CB 3.47Å; D231-N233 PolarHBondContact O-N 3.4Å; N233-D235 VanDerWaalsContact C-N 3.26Å; N233-P519 WeakPolarHBondContact O-CG 3.43Å |
| 234 | V | 98.3 | Very high | 98.1 | Very high | 10 Ų | 10 | 6.7 Ų | 6.7 | 6% | 0.061 | 4% | 0.036 | C | C | . | . | G | 310 helix | trans | -69.2 | -29.3 | 172.4 | 176.3 | 0 | 0 | 0 | 0 | 111.6 | K195 D231 R232 L495 L499 L518 | K195-V234 HydrophobicContact CD-CG2 4.48Å; K195-V234 HydrophobicContact CG-CB 4.37Å; K195-V234 HydrophobicContact CG-CG1 3.77Å; K195-V234 HydrophobicContact CG-CG2 3.67Å; D231-V234 HydrophobicContact CB-CG2 3.83Å; D231-V234 VanDerWaalsContact O-CB 3.25Å; D231-V234 WeakPolarHBondContact O-CB 3.49Å; D231-V234 WeakPolarHBondContact O-CG2 3.33Å; D231-V234 PolarHBondContact O-N 2.89Å; R232-V234 PolarHBondContact O-N 3.21Å; R232-V234 VanDerWaalsContact O-N 3.08Å; V234-L495 HydrophobicContact CG1-CD2 4.18Å; V234-L499 HydrophobicContact CG1-CD1 3.73Å; V234-L518 HydrophobicContact CG1-CB 4.42Å; V234-L518 HydrophobicContact CG1-CD1 4.26Å |
| 235 | D | 98.5 | Very high | 98.2 | Very high | 3 Ų | 3 | 6.7 Ų | 6.7 | 2% | 0.016 | 4% | 0.036 | C | C | . | . | trans | -142.2 | 83.7 | -179.4 | 175.8 | 13.7 | 0 | 0 | 0 | 109.1 | R232 N233 L237 T238 L495 S496 | R232-D235 PolarHBondContact NE-O 3.05Å; R232-D235 PolarHBondContact NH2-O 2.85Å; R232-D235 VanDerWaalsContact NH2-O 3.15Å; R232-D235 IonicContact NH2-OD2 3.77Å; R232-D235 PolarHBondContact NH2-OD2 3.04Å; R232-D235 CarbonylContact O-C 3.6Å; R232-D235 PolarHBondContact O-N 3.21Å; N233-D235 VanDerWaalsContact C-N 3.26Å; D235-L237 PolarHBondContact OD1-N 3.34Å; D235-T238 PolarHBondContact OD1-N 3.3Å; D235-T238 PolarHBondContact OD1-OG1 3.32Å; D235-T238 VanDerWaalsContact OD1-OG1 3.13Å; D235-T238 WeakPolarHBondContact OD2-CB 3.45Å; D235-T238 PolarHBondContact OD2-OG1 3.05Å; D235-L495 HydrophobicContact CB-CB 4.02Å; D235-L495 HydrophobicContact CB-CD2 4.12Å; D235-L495 HydrophobicContact CB-CG 4.47Å; D235-L495 WeakPolarHBondContact OD2-CB 3.44Å; D235-L495 PolarHBondContact OD2-N 2.99Å; D235-S496 PolarHBondContact OD2-N 2.88Å | ||
| 236 | L | 98 | Very high | 98.4 | Very high | 17 Ų | 17 | 5.5 Ų | 5.5 | 9% | 0.089 | 3% | 0.029 | C | C | . | . | S | Bend | trans | -77.5 | -11.4 | 172.4 | -63.6 | 176.3 | 0 | 0 | 0 | 112.4 | F160 L240 V415 L452 W587 | F160-L236 HydrophobicContact CE2-CD2 4.08Å; F160-L236 HydrophobicContact CZ-CD2 3.92Å; L236-L240 WeakPolarHBondContact O-CD1 3.25Å; L236-L240 WeakPolarHBondContact O-CG 3.37Å; L236-V415 HydrophobicContact CB-CG1 4.28Å; L236-V415 HydrophobicContact CB-CG2 4.11Å; L236-L452 HydrophobicContact CB-CD2 4Å; L236-L452 HydrophobicContact CD1-CD2 4.2Å; L236-L452 HydrophobicContact CD2-CD2 4.24Å; L236-L452 HydrophobicContact CG-CD2 4.39Å; L236-W587 HydrophobicContact CB-CH2 4.1Å; L236-W587 HydrophobicContact CD2-CH2 3.54Å; L236-W587 HydrophobicContact CD2-CZ2 3.67Å; L236-W587 HydrophobicContact CG-CH2 4.43Å |
| 237 | L | 97.7 | Very high | 98.5 | Very high | 5 Ų | 5 | 5.5 Ų | 5.5 | 3% | 0.026 | 3% | 0.029 | C | C | . | . | S | Bend | trans | -80 | -51 | -171.1 | -174.2 | 69.1 | 0 | 0 | 0 | 111 | D235 L240 M381 L412 V415 C416 Y463 Y492 | D235-L237 PolarHBondContact OD1-N 3.34Å; L237-L240 PolarHBondContact O-N 2.8Å; L237-L240 VanDerWaalsContact O-N 3.09Å; L237-M381 HydrophobicContact CD1-CG 4.35Å; L237-M381 HydrophobicContact CD2-CG 4.34Å; L237-M381 HydrophobicContact CG-CG 4.46Å; L237-L412 HydrophobicContact CD1-CD1 3.37Å; L237-L412 HydrophobicContact CD1-CG 4.27Å; L237-L412 HydrophobicContact CG-CD1 4.28Å; L237-V415 HydrophobicContact CB-CG1 4.07Å; L237-V415 HydrophobicContact CD1-CB 4.46Å; L237-V415 HydrophobicContact CD1-CG1 4.06Å; L237-C416 WeakPolarHBondContact CD1-SG 3.39Å; L237-Y463 HydrophobicContact CD2-CE2 3.58Å; L237-Y463 VanDerWaalsContact CD2-OH 3.29Å; L237-Y463 WeakPolarHBondContact CD2-OH 3.18Å; L237-Y492 HydrophobicContact CD2-CD2 4.37Å; L237-Y492 HydrophobicContact CD2-CE2 3.53Å |
| 238 | T | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.029 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -46.2 | -174.2 | -62.6 | 0 | 0 | 0 | 0 | 114.2 | D235 L240 A241 Y489 Y492 P494 E557 | D235-T238 PolarHBondContact OD1-N 3.3Å; D235-T238 PolarHBondContact OD1-OG1 3.32Å; D235-T238 VanDerWaalsContact OD1-OG1 3.13Å; D235-T238 WeakPolarHBondContact OD2-CB 3.45Å; D235-T238 PolarHBondContact OD2-OG1 3.05Å; T238-L240 VanDerWaalsContact C-N 3.29Å; T238-L240 PolarHBondContact O-N 2.91Å; T238-A241 PolarHBondContact O-N 2.83Å; T238-Y489 HydrophobicContact CG2-CE2 3.92Å; T238-Y489 VanDerWaalsContact CG2-OH 3.32Å; T238-Y489 WeakPolarHBondContact CG2-OH 3.49Å; T238-Y489 PolarHBondContact O-OH 3.38Å; T238-Y489 VanDerWaalsContact O-OH 3.08Å; T238-Y492 WeakPolarHBondContact OG1-CE1 3.42Å; T238-Y492 PolarHBondContact OG1-OH 3.3Å; T238-P494 HydrophobicContact CG2-CB 3.86Å; T238-P494 HydrophobicContact CG2-CG 4.17Å; T238-E557 HydrophobicContact CG2-CG 3.54Å |
| 239 | P | 98.4 | Very high | 98.5 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.03 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -19.8 | -177.3 | -12.3 | 26.9 | 0 | 0 | 0 | 114.3 | T554 M582 G584 W587 | P239-T554 HydrophobicContact CB-CG2 3.97Å; P239-T554 HydrophobicContact CG-CG2 4.45Å; P239-M582 HydrophobicContact CB-SD 4.12Å; P239-M582 HydrophobicContact CG-SD 4.41Å; P239-G584 WeakPolarHBondContact O-CA 3.17Å; P239-G584 PolarHBondContact O-N 3.04Å; P239-W587 HydrophobicContact CB-CD2 4.49Å; P239-W587 HydrophobicContact CB-CE3 3.65Å; P239-W587 HydrophobicContact CB-CZ3 3.75Å; P239-W587 HydrophobicContact CG-CE3 4.19Å; P239-W587 HydrophobicContact CG-CH2 4.39Å; P239-W587 HydrophobicContact CG-CZ3 3.87Å |
| 240 | L | 98.5 | Very high | 98.5 | Very high | 1 Ų | 1 | 5.7 Ų | 5.7 | 1% | 0.005 | 3% | 0.03 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -34.4 | 178.7 | -66.2 | 169.4 | 0 | 0 | 0 | 111.6 | L236 L237 T238 R408 C411 L412 V415 L452 W587 I588 | L236-L240 WeakPolarHBondContact O-CD1 3.25Å; L236-L240 WeakPolarHBondContact O-CG 3.37Å; L237-L240 PolarHBondContact O-N 2.8Å; L237-L240 VanDerWaalsContact O-N 3.09Å; T238-L240 VanDerWaalsContact C-N 3.29Å; T238-L240 PolarHBondContact O-N 2.91Å; L240-R408 PolarHBondContact O-NE 2.95Å; L240-R408 PolarHBondContact O-NH2 3.16Å; L240-C411 HydrophobicContact CD1-CB 3.91Å; L240-C411 HydrophobicContact CD2-CB 3.99Å; L240-L412 HydrophobicContact CB-CB 4.3Å; L240-L412 HydrophobicContact CB-CD1 3.65Å; L240-L412 HydrophobicContact CD1-CB 4.28Å; L240-L412 HydrophobicContact CD1-CD1 4.28Å; L240-V415 HydrophobicContact CD1-CG2 4.19Å; L240-L452 HydrophobicContact CD1-CD2 4.05Å; L240-W587 HydrophobicContact CD2-CE3 4.2Å; L240-W587 HydrophobicContact CD2-CZ3 4.01Å; L240-W587 HydrophobicContact CG-CE3 4.5Å; L240-W587 HydrophobicContact CG-CZ3 3.93Å; L240-I588 HydrophobicContact CD2-CD1 4.12Å; L240-I588 HydrophobicContact CD2-CG1 4.47Å |
| 241 | A | 98.3 | Very high | 98.5 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.031 | C | C | . | . | S | Bend | trans | -69.3 | 146.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | T238 Q243 M381 Y489 | T238-A241 PolarHBondContact O-N 2.83Å; A241-Q243 PolarHBondContact O-N 3.22Å; A241-M381 HydrophobicContact CB-CE 4.04Å; A241-M381 HydrophobicContact CB-SD 3.67Å; A241-Y489 HydrophobicContact CB-CD1 3.79Å; A241-Y489 HydrophobicContact CB-CE1 3.64Å |
| 242 | T | 98.7 | Very high | 98.4 | Very high | 2 Ų | 2 | 6.9 Ų | 6.9 | 1% | 0.012 | 4% | 0.036 | C | C | . | . | P | Polyproline II helix | trans | -67.9 | 121.4 | 175.5 | -56.8 | 0 | 0 | 0 | 0 | 110.8 | L244 L249 E252 F370 K373 E377 Y489 | T242-L244 HydrophobicContact CG2-CD2 4.14Å; T242-L249 HydrophobicContact CG2-CD2 4.47Å; T242-E252 HydrophobicContact CG2-CG 4.34Å; T242-F370 HydrophobicContact CG2-CE2 3.86Å; T242-F370 HydrophobicContact CG2-CZ 4.06Å; T242-K373 VanDerWaalsContact OG1-CE 3.23Å; T242-K373 WeakPolarHBondContact OG1-CE 3.38Å; T242-K373 PolarHBondContact OG1-NZ 3.48Å; T242-E377 VanDerWaalsContact CB-OE2 3.25Å; T242-E377 WeakPolarHBondContact CB-OE2 3.35Å; T242-E377 PolarHBondContact N-OE2 3.13Å; T242-E377 VanDerWaalsContact OG1-CD 3.25Å; T242-E377 PolarHBondContact OG1-OE1 3.41Å; T242-E377 VanDerWaalsContact OG1-OE1 3.04Å; T242-E377 PolarHBondContact OG1-OE2 3.15Å; T242-Y489 WeakPolarHBondContact O-CD1 3.16Å; T242-Y489 WeakPolarHBondContact O-CE1 3.42Å |
| 243 | Q | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.048 | C | C | . | . | P | Polyproline II helix | trans | -67.4 | 132 | 174.8 | -59.3 | 173 | 81.1 | 0 | 0 | 110.7 | A241 L249 E252 Y489 A556 | A241-Q243 PolarHBondContact O-N 3.22Å; Q243-L249 WeakPolarHBondContact O-CD2 3.27Å; Q243-L249 WeakPolarHBondContact O-CG 3.28Å; Q243-E252 HydrophobicContact CB-CG 4.05Å; Q243-E252 HydrophobicContact CG-CG 4.4Å; Q243-E252 WeakPolarHBondContact CG-OE1 3.28Å; Q243-E252 PolarHBondContact NE2-OE1 2.92Å; Q243-Y489 HydrophobicContact CG-CE1 4.25Å; Q243-A556 HydrophobicContact CB-CB 3.98Å; Q243-A556 HydrophobicContact CG-CB 3.73Å |
| 244 | L | 98.8 | Very high | 98.5 | Very high | 13 Ų | 13 | 10.1 Ų | 10.1 | 7% | 0.068 | 5% | 0.048 | C | C | . | . | trans | -111.6 | 5.8 | -176.4 | -57.3 | -178 | 0 | 0 | 0 | 114.1 | T242 L249 N303 F304 F370 L374 V488 S490 | T242-L244 HydrophobicContact CG2-CD2 4.14Å; L244-L249 HydrophobicContact CD2-CD2 4.4Å; L244-N303 WeakPolarHBondContact O-CA 3.35Å; L244-F304 PolarHBondContact O-N 2.92Å; L244-F370 HydrophobicContact CD2-CZ 3.97Å; L244-L374 HydrophobicContact CD1-CD1 4.21Å; L244-L374 HydrophobicContact CD1-CD2 4.2Å; L244-L374 HydrophobicContact CD2-CD1 4.21Å; L244-L374 HydrophobicContact CD2-CD2 4.15Å; L244-V488 WeakPolarHBondContact CB-O 3.28Å; L244-V488 PolarHBondContact N-O 3.36Å; L244-S490 WeakPolarHBondContact CD1-OG 3.43Å | ||
| 245 | T | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.058 | C | C | . | . | B | Isolated β-bridge | trans | -76 | 161.1 | 168.1 | 62.4 | 0 | 0 | 0 | 0 | 111.2 | G248 L249 K302 Y487 V488 A559 | T245-G248 PolarHBondContact O-N 2.86Å; T245-G248 PolarHBondContact OG1-N 3.41Å; T245-L249 WeakPolarHBondContact O-CB 3.46Å; T245-L249 WeakPolarHBondContact O-CG 3.5Å; T245-L249 PolarHBondContact O-N 3.05Å; T245-K302 CarbonylContact C-O 3.47Å; T245-K302 VanDerWaalsContact CA-O 3.22Å; T245-K302 WeakPolarHBondContact CA-O 3.43Å; T245-Y487 HydrophobicContact CG2-CE2 4.48Å; T245-V488 HydrophobicContact CG2-CB 3.79Å; T245-V488 HydrophobicContact CG2-CG1 3.69Å; T245-A559 HydrophobicContact CG2-CB 3.87Å |
| 246 | Y | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -57.8 | -51.8 | 178.8 | -179.1 | -103.2 | 0 | 0 | 0 | 112.6 | G248 L249 I250 Y296 I299 K302 F304 V307 H354 I357 A358 I361 | Y246-G248 VanDerWaalsContact C-N 3.35Å; Y246-L249 PolarHBondContact O-N 2.82Å; Y246-I250 HydrophobicContact CD1-CD1 3.94Å; Y246-I250 HydrophobicContact CE1-CD1 3.46Å; Y246-I250 VanDerWaalsContact CE1-CD1 3.46Å; Y246-I250 HydrophobicContact CE2-CD1 4.47Å; Y246-I250 WeakPolarHBondContact O-CG1 3.43Å; Y246-I250 PolarHBondContact O-N 3.27Å; Y246-I250 VanDerWaalsContact O-N 3.16Å; Y246-Y296 HydrophobicContact CD1-CD2 4.49Å; Y246-Y296 HydrophobicContact CD1-CE2 4.21Å; Y246-Y296 HydrophobicContact CE1-CD2 4.06Å; Y246-Y296 AromaticContact CE1-CE2 3.98Å; Y246-Y296 HydrophobicContact CE1-CE2 3.98Å; Y246-I299 WeakPolarHBondContact CB-O 3.37Å; Y246-I299 HydrophobicContact CD1-CD1 3.99Å; Y246-I299 HydrophobicContact CD1-CG1 3.78Å; Y246-I299 HydrophobicContact CE1-CD1 3.67Å; Y246-I299 HydrophobicContact CE1-CG1 3.91Å; Y246-I299 HydrophobicContact CE2-CD1 4.31Å; Y246-I299 HydrophobicContact CG-CD1 4.45Å; Y246-I299 HydrophobicContact CG-CG1 4.31Å; Y246-K302 PolarHBondContact N-O 2.91Å; Y246-F304 HydrophobicContact CD2-CD2 4.05Å; Y246-F304 HydrophobicContact CD2-CE2 4.17Å; Y246-V307 HydrophobicContact CD2-CB 4.5Å; Y246-V307 HydrophobicContact CD2-CG1 3.96Å; Y246-V307 HydrophobicContact CD2-CG2 3.93Å; Y246-V307 HydrophobicContact CE2-CG1 4.24Å; Y246-V307 HydrophobicContact CG-CG2 4.15Å; Y246-H354 AromaticContact CE1-ND1 3.72Å; Y246-H354 AromaticContact CZ-ND1 3.65Å; Y246-H354 PolarHBondContact OH-ND1 2.88Å; Y246-I357 HydrophobicContact CE2-CG2 4.11Å; Y246-I357 WeakPolarHBondContact OH-CB 3.49Å; Y246-I357 WeakPolarHBondContact OH-CG2 3.15Å; Y246-A358 HydrophobicContact CE2-CB 4.5Å; Y246-I361 HydrophobicContact CD2-CD1 3.94Å; Y246-I361 HydrophobicContact CE2-CD1 3.8Å |
| 247 | E | 98.8 | Very high | 98.4 | Very high | 9 Ų | 9 | 17.1 Ų | 17.1 | 4% | 0.042 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.5 | -39.2 | 177 | 178 | 169.8 | -120.6 | 0 | 0 | 111.5 | L249 I250 D251 I256 Y296 R300 F555 R562 | E247-L249 PolarHBondContact O-N 2.87Å; E247-I250 PolarHBondContact O-N 2.64Å; E247-D251 PolarHBondContact O-N 2.81Å; E247-I256 HydrophobicContact CG-CD1 3.92Å; E247-Y296 WeakPolarHBondContact CG-OH 3.16Å; E247-Y296 PolarHBondContact OE1-OH 2.72Å; E247-R300 HydrophobicContact CB-CB 3.94Å; E247-R300 WeakPolarHBondContact CB-O 3.48Å; E247-R300 PolarHBondContact N-O 3.1Å; E247-F555 HydrophobicContact CG-CB 3.98Å; E247-F555 HydrophobicContact CG-CD1 3.54Å; E247-F555 HydrophobicContact CG-CD2 4.38Å; E247-F555 HydrophobicContact CG-CE1 4.04Å; E247-F555 HydrophobicContact CG-CG 3.72Å; E247-F555 VanDerWaalsContact OE2-CD1 3.28Å; E247-F555 WeakPolarHBondContact OE2-CD1 3.46Å; E247-R562 IonicContact OE2-NH1 3.51Å |
| 248 | G | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.3 | -45 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | T245 Y246 D251 E252 | T245-G248 PolarHBondContact O-N 2.86Å; T245-G248 PolarHBondContact OG1-N 3.41Å; Y246-G248 VanDerWaalsContact C-N 3.35Å; G248-D251 WeakPolarHBondContact O-CB 3.32Å; G248-D251 PolarHBondContact O-N 2.98Å; G248-E252 WeakPolarHBondContact O-CG 3.32Å; G248-E252 PolarHBondContact O-N 2.91Å |
| 249 | L | 98.9 | Very high | 98.2 | Very high | 3 Ų | 3 | 18.6 Ų | 18.6 | 2% | 0.016 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -70 | -33.5 | 177.9 | -74.8 | 169.9 | 0 | 0 | 0 | 113 | T242 Q243 L244 T245 Y246 E247 D251 I253 F304 I361 T365 F370 | T242-L249 HydrophobicContact CG2-CD2 4.47Å; Q243-L249 WeakPolarHBondContact O-CD2 3.27Å; Q243-L249 WeakPolarHBondContact O-CG 3.28Å; L244-L249 HydrophobicContact CD2-CD2 4.4Å; T245-L249 WeakPolarHBondContact O-CB 3.46Å; T245-L249 WeakPolarHBondContact O-CG 3.5Å; T245-L249 PolarHBondContact O-N 3.05Å; Y246-L249 PolarHBondContact O-N 2.82Å; E247-L249 PolarHBondContact O-N 2.87Å; L249-D251 VanDerWaalsContact C-N 3.26Å; L249-D251 PolarHBondContact O-N 2.85Å; L249-I253 WeakPolarHBondContact O-CB 3.36Å; L249-I253 WeakPolarHBondContact O-CD1 3.23Å; L249-I253 WeakPolarHBondContact O-CG1 3.46Å; L249-I253 PolarHBondContact O-N 3.45Å; L249-I253 VanDerWaalsContact O-N 3.1Å; L249-F304 HydrophobicContact CD1-CB 3.44Å; L249-F304 VanDerWaalsContact CD1-CB 3.44Å; L249-F304 HydrophobicContact CD1-CD1 4.15Å; L249-F304 HydrophobicContact CD1-CD2 4.14Å; L249-F304 HydrophobicContact CD1-CG 3.64Å; L249-I361 HydrophobicContact CB-CD1 4.31Å; L249-I361 HydrophobicContact CB-CG2 3.91Å; L249-I361 HydrophobicContact CD1-CG2 3.67Å; L249-I361 HydrophobicContact CG-CG2 4.34Å; L249-T365 HydrophobicContact CD1-CG2 4.04Å; L249-T365 HydrophobicContact CD2-CG2 4.09Å; L249-F370 HydrophobicContact CD2-CE2 4.18Å; L249-F370 HydrophobicContact CD2-CZ 4.09Å |
| 250 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.7 | -45.8 | 170.5 | -66.5 | 169.6 | 0 | 0 | 0 | 109.4 | Y246 E247 Y254 G255 I256 V261 L289 Y296 I357 I361 | Y246-I250 HydrophobicContact CD1-CD1 3.94Å; Y246-I250 HydrophobicContact CE1-CD1 3.46Å; Y246-I250 VanDerWaalsContact CE1-CD1 3.46Å; Y246-I250 HydrophobicContact CE2-CD1 4.47Å; Y246-I250 WeakPolarHBondContact O-CG1 3.43Å; Y246-I250 PolarHBondContact O-N 3.27Å; Y246-I250 VanDerWaalsContact O-N 3.16Å; E247-I250 PolarHBondContact O-N 2.64Å; I250-Y254 PolarHBondContact O-N 3.22Å; I250-G255 PolarHBondContact O-N 3.24Å; I250-I256 HydrophobicContact CB-CD1 4.26Å; I250-I256 HydrophobicContact CG2-CD1 3.99Å; I250-I256 HydrophobicContact CG2-CG1 3.95Å; I250-V261 HydrophobicContact CG2-CB 4.09Å; I250-V261 HydrophobicContact CG2-CG1 4.46Å; I250-V261 HydrophobicContact CG2-CG2 3.63Å; I250-L289 HydrophobicContact CD1-CD1 4.23Å; I250-L289 HydrophobicContact CG2-CD1 4.04Å; I250-Y296 HydrophobicContact CD1-CE2 4.49Å; I250-I357 HydrophobicContact CD1-CG2 3.84Å; I250-I357 HydrophobicContact CG1-CG2 3.79Å; I250-I361 HydrophobicContact CG1-CD1 3.79Å |
| 251 | D | 98.7 | Very high | 98.1 | Very high | 8 Ų | 8 | 22.1 Ų | 22.1 | 4% | 0.043 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.2 | -41.6 | -179.3 | -171.8 | 51.6 | 0 | 0 | 0 | 113.1 | E247 G248 L249 I253 G255 I256 F555 N583 | E247-D251 PolarHBondContact O-N 2.81Å; G248-D251 WeakPolarHBondContact O-CB 3.32Å; G248-D251 PolarHBondContact O-N 2.98Å; L249-D251 VanDerWaalsContact C-N 3.26Å; L249-D251 PolarHBondContact O-N 2.85Å; D251-I253 VanDerWaalsContact C-N 3.32Å; D251-I253 PolarHBondContact O-N 2.99Å; D251-G255 WeakPolarHBondContact O-CA 3.43Å; D251-G255 PolarHBondContact O-N 2.91Å; D251-I256 HydrophobicContact CB-CB 4.48Å; D251-I256 HydrophobicContact CB-CD1 3.97Å; D251-I256 HydrophobicContact CB-CG1 3.99Å; D251-I256 PolarHBondContact OD1-N 3.12Å; D251-F555 HydrophobicContact CB-CD2 3.73Å; D251-F555 HydrophobicContact CB-CE2 3.99Å; D251-N583 PolarHBondContact O-ND2 3.39Å; D251-N583 PolarHBondContact OD1-ND2 3.34Å; D251-N583 VanDerWaalsContact OD2-CB 3.31Å; D251-N583 WeakPolarHBondContact OD2-CB 3.47Å; D251-N583 PolarHBondContact OD2-ND2 3.3Å |
| 252 | E | 98.1 | Very high | 98.1 | Very high | 27 Ų | 27 | 28.6 Ų | 28.6 | 13% | 0.126 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.8 | -36.8 | 176.4 | -70.7 | -67.8 | 157.2 | 0 | 0 | 112.8 | T242 Q243 G248 R408 | T242-E252 HydrophobicContact CG2-CG 4.34Å; Q243-E252 HydrophobicContact CB-CG 4.05Å; Q243-E252 HydrophobicContact CG-CG 4.4Å; Q243-E252 WeakPolarHBondContact CG-OE1 3.28Å; Q243-E252 PolarHBondContact NE2-OE1 2.92Å; G248-E252 WeakPolarHBondContact O-CG 3.32Å; G248-E252 PolarHBondContact O-N 2.91Å; E252-R408 IonicContact OE1-NH2 2.72Å; E252-R408 IonicContact OE2-CZ 3.51Å; E252-R408 IonicContact OE2-NH1 2.8Å; E252-R408 PolarHBondContact OE2-NH1 3.37Å; E252-R408 IonicContact OE2-NH2 3.87Å; E252-R408 PolarHBondContact OE2-NH2 3.5Å |
| 253 | I | 98.2 | Very high | 98 | Very high | 50 Ų | 50 | 28.7 Ų | 28.7 | 26% | 0.256 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -92 | -42 | -172.2 | -59.3 | 167.2 | 0 | 0 | 0 | 111.9 | L249 D251 I361 V364 | L249-I253 WeakPolarHBondContact O-CB 3.36Å; L249-I253 WeakPolarHBondContact O-CD1 3.23Å; L249-I253 WeakPolarHBondContact O-CG1 3.46Å; L249-I253 PolarHBondContact O-N 3.45Å; L249-I253 VanDerWaalsContact O-N 3.1Å; D251-I253 VanDerWaalsContact C-N 3.32Å; D251-I253 PolarHBondContact O-N 2.99Å; I253-I361 HydrophobicContact CD1-CB 4.4Å; I253-I361 HydrophobicContact CD1-CG1 4.28Å; I253-I361 HydrophobicContact CD1-CG2 4.18Å; I253-V364 HydrophobicContact CD1-CB 3.89Å; I253-V364 HydrophobicContact CD1-CG1 4.07Å; I253-V364 HydrophobicContact CD1-CG2 4.08Å; I253-V364 HydrophobicContact CG1-CG1 4.25Å; I253-V364 HydrophobicContact CG2-CG2 4.01Å |
| 254 | Y | 98 | Very high | 97.8 | Very high | 65 Ų | 65 | 30.7 Ų | 30.7 | 26% | 0.255 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -120.2 | -13.9 | -170.8 | -58.8 | -71.5 | 0 | 0 | 0 | 113.8 | I250 L263 P264 L360 | I250-Y254 PolarHBondContact O-N 3.22Å; Y254-L263 HydrophobicContact CD1-CD2 4.15Å; Y254-L263 HydrophobicContact CD2-CD2 3.54Å; Y254-L263 HydrophobicContact CE1-CD2 4.45Å; Y254-L263 HydrophobicContact CE2-CD2 3.89Å; Y254-L263 HydrophobicContact CG-CD2 3.7Å; Y254-P264 HydrophobicContact CE1-CG 3.98Å; Y254-L360 HydrophobicContact CE2-CB 4.25Å; Y254-L360 WeakPolarHBondContact OH-CB 3.4Å |
| 255 | G | 97.8 | Very high | 97.5 | Very high | 25 Ų | 25 | 30.8 Ų | 30.8 | 26% | 0.258 | 15% | 0.152 | S | C | . | . | trans | 71.4 | 138.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | I250 D251 | I250-G255 PolarHBondContact O-N 3.24Å; D251-G255 WeakPolarHBondContact O-CA 3.43Å; D251-G255 PolarHBondContact O-N 2.91Å | ||
| 256 | I | 98.2 | Very high | 97 | Very high | 19 Ų | 19 | 36.1 Ų | 36.1 | 10% | 0.097 | 18% | 0.177 | C | C | . | . | trans | -111.2 | 123.5 | 170.7 | -60.5 | 176.2 | 0 | 0 | 0 | 108.9 | E247 I250 D251 Y260 L289 F555 | E247-I256 HydrophobicContact CG-CD1 3.92Å; I250-I256 HydrophobicContact CB-CD1 4.26Å; I250-I256 HydrophobicContact CG2-CD1 3.99Å; I250-I256 HydrophobicContact CG2-CG1 3.95Å; D251-I256 HydrophobicContact CB-CB 4.48Å; D251-I256 HydrophobicContact CB-CD1 3.97Å; D251-I256 HydrophobicContact CB-CG1 3.99Å; D251-I256 PolarHBondContact OD1-N 3.12Å; I256-Y260 WeakPolarHBondContact CA-O 3.22Å; I256-L289 HydrophobicContact CD1-CD1 3.88Å; I256-L289 HydrophobicContact CG1-CD1 4.22Å; I256-F555 HydrophobicContact CB-CE2 3.94Å; I256-F555 HydrophobicContact CB-CZ 4.08Å; I256-F555 HydrophobicContact CD1-CD2 4.44Å; I256-F555 HydrophobicContact CD1-CE2 3.97Å; I256-F555 HydrophobicContact CD1-CZ 4.11Å; I256-F555 HydrophobicContact CG1-CE2 4.43Å; I256-F555 HydrophobicContact CG2-CE2 4.34Å; I256-F555 HydrophobicContact CG2-CZ 3.95Å | ||
| 257 | Q | 96.1 | Very high | 96.5 | Very high | 132 Ų | 132 | 38.9 Ų | 38.9 | 62% | 0.617 | 19% | 0.189 | S | C | * | . | B | Isolated β-bridge | trans | -123.1 | 120.4 | 177.7 | -67.4 | 179.7 | -7.8 | 0 | 0 | 109.9 | S259 Y260 | Q257-S259 VanDerWaalsContact C-N 3.29Å; Q257-S259 PolarHBondContact O-N 3.05Å; Q257-Y260 PolarHBondContact N-O 3.02Å; Q257-Y260 PolarHBondContact O-N 2.66Å |
| 258 | N | 96.1 | Very high | 96.1 | Very high | 27 Ų | 27 | 40.1 Ų | 40.1 | 14% | 0.144 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 45.2 | 177.5 | -49.9 | 108.7 | 0 | 0 | 0 | 113.2 | G44 L48 E155 Y260 | G44-N258 VanDerWaalsContact C-CG 3.49Å; G44-N258 WeakPolarHBondContact CA-OD1 3.46Å; L48-N258 HydrophobicContact CD1-CB 4.05Å; L48-N258 HydrophobicContact CG-CB 4.33Å; E155-N258 PolarHBondContact OE2-ND2 3.42Å; N258-Y260 VanDerWaalsContact C-N 3.26Å; N258-Y260 WeakPolarHBondContact O-CD2 3.42Å; N258-Y260 PolarHBondContact O-N 3.46Å |
| 259 | S | 96.2 | Very high | 95.2 | Very high | 9 Ų | 9 | 41.9 Ų | 41.9 | 6% | 0.063 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 20.9 | -175.2 | -55.2 | 0 | 0 | 0 | 0 | 114.9 | F147 Q257 Q288 L289 | F147-S259 WeakPolarHBondContact CD1-OG 3.49Å; Q257-S259 VanDerWaalsContact C-N 3.29Å; Q257-S259 PolarHBondContact O-N 3.05Å; S259-Q288 CarbonylContact O-C 3.58Å; S259-Q288 VanDerWaalsContact O-CA 3.31Å; S259-Q288 WeakPolarHBondContact O-CA 3.31Å; S259-Q288 WeakPolarHBondContact O-CG 3.45Å; S259-L289 WeakPolarHBondContact CB-O 3.42Å; S259-L289 PolarHBondContact O-N 3.48Å |
| 260 | Y | 97.3 | Very high | 93.8 | Very high | 75 Ų | 75 | 46.8 Ų | 46.8 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 145 | 173.1 | -68.9 | -89.5 | 0 | 0 | 0 | 111.9 | I256 Q257 N258 K286 L287 Q288 | I256-Y260 WeakPolarHBondContact CA-O 3.22Å; Q257-Y260 PolarHBondContact N-O 3.02Å; Q257-Y260 PolarHBondContact O-N 2.66Å; N258-Y260 VanDerWaalsContact C-N 3.26Å; N258-Y260 WeakPolarHBondContact O-CD2 3.42Å; N258-Y260 PolarHBondContact O-N 3.46Å; Y260-K286 HydrophobicContact CD1-CD 4.18Å; Y260-K286 HydrophobicContact CD1-CG 3.92Å; Y260-L287 VanDerWaalsContact CA-O 3.26Å; Y260-L287 WeakPolarHBondContact CA-O 2.98Å; Y260-L287 WeakPolarHBondContact CD1-O 3.3Å; Y260-Q288 HydrophobicContact CD1-CB 3.89Å; Y260-Q288 HydrophobicContact CD1-CG 4.25Å; Y260-Q288 HydrophobicContact CE1-CB 3.52Å; Y260-Q288 HydrophobicContact CE1-CG 3.8Å; Y260-Q288 HydrophobicContact CE2-CG 4.25Å |
| 261 | V | 98 | Very high | 92 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 145.9 | 167.9 | 66.2 | 0 | 0 | 0 | 0 | 109.6 | I250 L263 K286 L287 L289 | I250-V261 HydrophobicContact CG2-CB 4.09Å; I250-V261 HydrophobicContact CG2-CG1 4.46Å; I250-V261 HydrophobicContact CG2-CG2 3.63Å; V261-L263 HydrophobicContact CG1-CD1 3.69Å; V261-L263 HydrophobicContact CG1-CG 3.97Å; V261-L263 HydrophobicContact CG2-CD1 4.45Å; V261-L263 HydrophobicContact CG2-CD2 3.81Å; V261-L263 HydrophobicContact CG2-CG 3.86Å; V261-K286 WeakPolarHBondContact O-CA 3.46Å; V261-L287 HydrophobicContact CG1-CB 4.03Å; V261-L287 PolarHBondContact N-O 3.36Å; V261-L287 PolarHBondContact O-N 2.89Å; V261-L289 HydrophobicContact CB-CD1 3.94Å; V261-L289 HydrophobicContact CG1-CD1 3.69Å; V261-L289 HydrophobicContact CG1-CD2 4.4Å; V261-L289 HydrophobicContact CG1-CG 4.04Å |
| 262 | K | 97.7 | Very high | 90 | Very high | 136 Ų | 136 | 64.1 Ų | 64.1 | 59% | 0.591 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 121.6 | 169.9 | -66.2 | 176.2 | -176.3 | 170.1 | 0 | 108.4 | A284 | K262-A284 HydrophobicContact CB-CB 4.22Å |
| 263 | L | 97.3 | Very high | 87.4 | Confident | 3 Ų | 3 | 72.3 Ų | 72.3 | 2% | 0.016 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 152.1 | -171.3 | -64.1 | 157.9 | 0 | 0 | 0 | 111.5 | Y254 V261 F268 A284 K285 L287 I357 L360 | Y254-L263 HydrophobicContact CD1-CD2 4.15Å; Y254-L263 HydrophobicContact CD2-CD2 3.54Å; Y254-L263 HydrophobicContact CE1-CD2 4.45Å; Y254-L263 HydrophobicContact CE2-CD2 3.89Å; Y254-L263 HydrophobicContact CG-CD2 3.7Å; V261-L263 HydrophobicContact CG1-CD1 3.69Å; V261-L263 HydrophobicContact CG1-CG 3.97Å; V261-L263 HydrophobicContact CG2-CD1 4.45Å; V261-L263 HydrophobicContact CG2-CD2 3.81Å; V261-L263 HydrophobicContact CG2-CG 3.86Å; L263-F268 HydrophobicContact CB-CE2 3.82Å; L263-F268 HydrophobicContact CB-CZ 4.23Å; L263-F268 HydrophobicContact CD1-CE2 4.18Å; L263-F268 HydrophobicContact CD1-CZ 3.71Å; L263-A284 CarbonylContact O-C 3.51Å; L263-A284 WeakPolarHBondContact O-CA 3.19Å; L263-K285 HydrophobicContact CB-CB 4.33Å; L263-K285 PolarHBondContact N-O 3.47Å; L263-K285 PolarHBondContact O-N 3.3Å; L263-L287 HydrophobicContact CD1-CD1 3.89Å; L263-I357 HydrophobicContact CD1-CD1 3.95Å; L263-I357 HydrophobicContact CD1-CG1 3.66Å; L263-L360 HydrophobicContact CB-CD1 4.3Å; L263-L360 HydrophobicContact CD2-CD1 4.1Å |
| 264 | P | 95.2 | Very high | 85.2 | Confident | 43 Ų | 43 | 73.6 Ų | 73.6 | 28% | 0.279 | 38% | 0.38 | S | S | . | . | trans | -55.1 | 127.8 | 170.8 | -23.9 | 33.4 | 0 | 0 | 0 | 111.2 | Y254 E266 F268 L360 | Y254-P264 HydrophobicContact CE1-CG 3.98Å; P264-E266 VanDerWaalsContact C-N 3.32Å; P264-E266 VanDerWaalsContact C-OE2 3.29Å; P264-E266 WeakPolarHBondContact CB-OE2 3.32Å; P264-E266 PolarHBondContact O-N 3.14Å; P264-F268 VanDerWaalsContact O-CD2 3.25Å; P264-F268 WeakPolarHBondContact O-CD2 3.42Å; P264-F268 WeakPolarHBondContact O-CE2 3.43Å; P264-L360 HydrophobicContact CG-CD2 4.43Å | ||
| 265 | P | 92.3 | Very high | 82.8 | Confident | 15 Ų | 15 | 76.1 Ų | 76.1 | 10% | 0.097 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -74 | -18.2 | -170.7 | 27.7 | -34.4 | 0 | 0 | 0 | 114.8 | K267 F268 A269 P281 E283 | P265-K267 VanDerWaalsContact C-N 3.31Å; P265-K267 PolarHBondContact O-N 2.87Å; P265-F268 PolarHBondContact O-N 2.83Å; P265-A269 PolarHBondContact O-N 3.22Å; P265-P281 HydrophobicContact CB-CB 4.15Å; P265-P281 HydrophobicContact CB-CG 4.22Å; P265-P281 WeakPolarHBondContact CG-O 3.39Å; P265-E283 WeakPolarHBondContact CB-O 3.5Å |
| 266 | E | 88.6 | Confident | 80.4 | Confident | 112 Ų | 112 | 79.5 Ų | 79.5 | 52% | 0.523 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -59.5 | -40.3 | -168.4 | -61.4 | 74.3 | -162.5 | 0 | 0 | 112 | P264 F268 | P264-E266 VanDerWaalsContact C-N 3.32Å; P264-E266 VanDerWaalsContact C-OE2 3.29Å; P264-E266 WeakPolarHBondContact CB-OE2 3.32Å; P264-E266 PolarHBondContact O-N 3.14Å; E266-F268 VanDerWaalsContact C-N 3.28Å; E266-F268 PolarHBondContact O-N 3.21Å |
| 267 | K | 87.1 | Confident | 78.3 | Confident | 58 Ų | 58 | 82.1 Ų | 82.1 | 25% | 0.252 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -79 | -6.1 | 178.7 | -60.9 | -153.6 | -172.5 | -179 | 0 | 114.1 | P265 S356 E359 L360 D363 | P265-K267 VanDerWaalsContact C-N 3.31Å; P265-K267 PolarHBondContact O-N 2.87Å; K267-S356 WeakPolarHBondContact O-CB 3.31Å; K267-S356 PolarHBondContact O-OG 2.96Å; K267-E359 HydrophobicContact CD-CB 3.92Å; K267-E359 PolarHBondContact NZ-O 3.35Å; K267-L360 HydrophobicContact CD-CD2 3.78Å; K267-L360 HydrophobicContact CD-CG 3.9Å; K267-L360 HydrophobicContact CG-CD2 4.03Å; K267-L360 HydrophobicContact CG-CG 4.35Å; K267-D363 WeakPolarHBondContact CE-OD2 3.34Å; K267-D363 IonicContact NZ-OD1 2.76Å; K267-D363 PolarHBondContact NZ-OD1 2.86Å; K267-D363 IonicContact NZ-OD2 3.48Å; K267-D363 PolarHBondContact NZ-OD2 2.94Å |
| 268 | F | 89.8 | Confident | 76.2 | Confident | 34 Ų | 34 | 83.5 Ų | 83.5 | 15% | 0.149 | 47% | 0.468 | C | S | . | . | G | 310 helix | trans | -107.1 | -10.1 | -179.9 | -60.7 | -89.6 | 0 | 0 | 0 | 113.4 | L263 P264 P265 E266 K285 L287 N353 I357 L360 | L263-F268 HydrophobicContact CB-CE2 3.82Å; L263-F268 HydrophobicContact CB-CZ 4.23Å; L263-F268 HydrophobicContact CD1-CE2 4.18Å; L263-F268 HydrophobicContact CD1-CZ 3.71Å; P264-F268 VanDerWaalsContact O-CD2 3.25Å; P264-F268 WeakPolarHBondContact O-CD2 3.42Å; P264-F268 WeakPolarHBondContact O-CE2 3.43Å; P265-F268 PolarHBondContact O-N 2.83Å; E266-F268 VanDerWaalsContact C-N 3.28Å; E266-F268 PolarHBondContact O-N 3.21Å; F268-K285 HydrophobicContact CB-CB 4.5Å; F268-K285 HydrophobicContact CB-CD 4.16Å; F268-K285 HydrophobicContact CB-CG 4.18Å; F268-K285 HydrophobicContact CD1-CD 4.35Å; F268-K285 HydrophobicContact CD1-CG 3.89Å; F268-K285 HydrophobicContact CD2-CB 3.86Å; F268-K285 HydrophobicContact CD2-CG 3.89Å; F268-K285 HydrophobicContact CE1-CG 4.26Å; F268-K285 HydrophobicContact CE2-CB 4.29Å; F268-K285 HydrophobicContact CE2-CG 4.28Å; F268-K285 HydrophobicContact CG-CB 4.12Å; F268-K285 HydrophobicContact CG-CD 4.18Å; F268-K285 HydrophobicContact CG-CG 3.7Å; F268-K285 HydrophobicContact CZ-CG 4.47Å; F268-L287 HydrophobicContact CE1-CD1 4.05Å; F268-N353 HydrophobicContact CE1-CB 4.29Å; F268-I357 HydrophobicContact CE1-CG1 4.19Å; F268-I357 HydrophobicContact CZ-CG1 3.79Å; F268-L360 HydrophobicContact CE2-CD1 3.85Å; F268-L360 HydrophobicContact CZ-CD1 4.26Å |
| 269 | A | 80.4 | Confident | 74.7 | Confident | 38 Ų | 38 | 89.8 Ų | 89.8 | 31% | 0.314 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -66 | 137.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | P265 K271 P281 | P265-A269 PolarHBondContact O-N 3.22Å; A269-K271 PolarHBondContact O-N 3.34Å; A269-K271 VanDerWaalsContact O-N 3.15Å; A269-P281 HydrophobicContact CB-CG 4.03Å |
| 270 | P | 69.8 | Low | 73.2 | Confident | 106 Ų | 106 | 95.7 Ų | 95.7 | 69% | 0.688 | 53% | 0.532 | S | S | * | . | trans | -60.8 | 122.5 | 172.1 | 24.2 | -30.9 | 0 | 0 | 0 | 108.8 | K272 | P270-K272 PolarHBondContact O-N 3.22Š| ||
| 271 | K | 62.2 | Low | 72 | Confident | 202 Ų | 202 | 94.9 Ų | 94.9 | 88% | 0.878 | 54% | 0.536 | S | S | * | . | trans | -64.3 | 80.1 | 172.2 | -65.7 | -177.8 | -178.5 | 177.3 | 0 | 109.2 | A269 Q273 | A269-K271 PolarHBondContact O-N 3.34Å; A269-K271 VanDerWaalsContact O-N 3.15Å; K271-Q273 PolarHBondContact O-N 2.95Å; K271-Q273 VanDerWaalsContact O-N 3.15Å | ||
| 272 | K | 54.8 | Low | 71.2 | Confident | 169 Ų | 169 | 101.2 Ų | 101.2 | 74% | 0.735 | 58% | 0.575 | S | S | * | * | trans | -72.4 | 104.6 | 169 | -77.1 | -172.3 | 177.3 | -179 | 0 | 107.6 | P270 G274 | P270-K272 PolarHBondContact O-N 3.22Å; K272-G274 PolarHBondContact O-N 3.38Å | ||
| 273 | Q | 45.3 | Very low | 70.8 | Confident | 200 Ų | 200 | 102.6 Ų | 102.6 | 94% | 0.935 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | 110.8 | 163.5 | -74.1 | 177.6 | -1.5 | 0 | 0 | 107.6 | K271 | K271-Q273 PolarHBondContact O-N 2.95Å; K271-Q273 VanDerWaalsContact O-N 3.15Å |
| 274 | G | 51 | Low | 70.6 | Confident | 76 Ų | 76 | 105 Ų | 105 | 78% | 0.784 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 124.2 | 12.3 | 159.1 | 0 | 0 | 0 | 0 | 0 | 120 | K272 | K272-G274 PolarHBondContact O-N 3.38Š|
| 275 | D | 46.8 | Very low | 70.6 | Confident | 119 Ų | 119 | 106.5 Ų | 106.5 | 64% | 0.636 | 61% | 0.606 | S | S | * | * | trans | -136.4 | 95.4 | 174.6 | -124.2 | -1.7 | 0 | 0 | 0 | 111.3 | G277 | D275-G277 VanDerWaalsContact C-N 3.26Å; D275-G277 PolarHBondContact O-N 3.41Å | ||
| 276 | G | 49.1 | Very low | 70.7 | Confident | 96 Ų | 96 | 111.6 Ų | 111.6 | 99% | 0.99 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | 51.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 277 | G | 52.5 | Low | 71.1 | Confident | 73 Ų | 73 | 107.5 Ų | 107.5 | 75% | 0.753 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -177.1 | 27.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | D275 | D275-G277 VanDerWaalsContact C-N 3.26Å; D275-G277 PolarHBondContact O-N 3.41Å |
| 278 | K | 53.7 | Low | 71.5 | Confident | 161 Ų | 161 | 108.7 Ų | 108.7 | 70% | 0.7 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -105.4 | 129.2 | 170.7 | -76.5 | -176.1 | 176.7 | 169.3 | 0 | 110.8 | L280 | K278-L280 PolarHBondContact O-N 3.3Š|
| 279 | D | 63.5 | Low | 71.9 | Confident | 160 Ų | 160 | 107.2 Ų | 107.2 | 86% | 0.856 | 61% | 0.608 | S | S | * | * | trans | -33.5 | 122 | 179.5 | -61.6 | -51.6 | 0 | 0 | 0 | 111.4 | ||||
| 280 | L | 65.5 | Low | 72.6 | Confident | 133 Ų | 133 | 105.8 Ų | 105.8 | 70% | 0.696 | 60% | 0.595 | S | S | * | * | trans | -52.4 | 129.3 | 168.1 | -77.2 | 159.8 | 0 | 0 | 0 | 107.2 | K278 T282 | K278-L280 PolarHBondContact O-N 3.3Å; L280-T282 PolarHBondContact O-N 3.48Å | ||
| 281 | P | 71.8 | Confident | 73.8 | Confident | 58 Ų | 58 | 101.7 Ų | 101.7 | 38% | 0.377 | 57% | 0.569 | S | S | . | * | trans | -57.1 | 118.3 | 176.8 | 15.3 | -22.1 | 0 | 0 | 0 | 108.5 | P265 A269 | P265-P281 HydrophobicContact CB-CB 4.15Å; P265-P281 HydrophobicContact CB-CG 4.22Å; P265-P281 WeakPolarHBondContact CG-O 3.39Å; A269-P281 HydrophobicContact CB-CG 4.03Å | ||
| 282 | T | 81.6 | Confident | 75.3 | Confident | 134 Ų | 134 | 95.4 Ų | 95.4 | 82% | 0.822 | 56% | 0.555 | S | S | * | * | trans | -89.4 | -18.6 | -177.7 | 52.6 | 0 | 0 | 0 | 0 | 112.6 | L280 | L280-T282 PolarHBondContact O-N 3.48Š| ||
| 283 | E | 88.6 | Confident | 77.2 | Confident | 164 Ų | 164 | 89.6 Ų | 89.6 | 77% | 0.766 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -82.2 | 130.5 | -178.8 | -66.7 | -170.4 | 169.9 | 0 | 0 | 111.3 | P265 K285 | P265-E283 WeakPolarHBondContact CB-O 3.5Å; E283-K285 PolarHBondContact O-N 2.94Å |
| 284 | A | 92.6 | Very high | 79.5 | Confident | 55 Ų | 55 | 85.7 Ų | 85.7 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | trans | -57.1 | 135.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | K262 L263 K286 | K262-A284 HydrophobicContact CB-CB 4.22Å; L263-A284 CarbonylContact O-C 3.51Å; L263-A284 WeakPolarHBondContact O-CA 3.19Å; A284-K286 PolarHBondContact O-N 3.26Å; A284-K286 VanDerWaalsContact O-N 3.1Å | ||
| 285 | K | 95 | Very high | 81.7 | Confident | 73 Ų | 73 | 82.7 Ų | 82.7 | 32% | 0.317 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 108 | 173 | 179.4 | 71.4 | 176 | -172.6 | 0 | 108.9 | L263 F268 E283 L287 | L263-K285 HydrophobicContact CB-CB 4.33Å; L263-K285 PolarHBondContact N-O 3.47Å; L263-K285 PolarHBondContact O-N 3.3Å; F268-K285 HydrophobicContact CB-CB 4.5Å; F268-K285 HydrophobicContact CB-CD 4.16Å; F268-K285 HydrophobicContact CB-CG 4.18Å; F268-K285 HydrophobicContact CD1-CD 4.35Å; F268-K285 HydrophobicContact CD1-CG 3.89Å; F268-K285 HydrophobicContact CD2-CB 3.86Å; F268-K285 HydrophobicContact CD2-CG 3.89Å; F268-K285 HydrophobicContact CE1-CG 4.26Å; F268-K285 HydrophobicContact CE2-CB 4.29Å; F268-K285 HydrophobicContact CE2-CG 4.28Å; F268-K285 HydrophobicContact CG-CB 4.12Å; F268-K285 HydrophobicContact CG-CD 4.18Å; F268-K285 HydrophobicContact CG-CG 3.7Å; F268-K285 HydrophobicContact CZ-CG 4.47Å; E283-K285 PolarHBondContact O-N 2.94Å; K285-L287 HydrophobicContact CG-CD1 4.42Å; K285-L287 HydrophobicContact CG-CG 4.14Å |
| 286 | K | 95.6 | Very high | 84.2 | Confident | 123 Ų | 123 | 77 Ų | 77 | 54% | 0.535 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 125.4 | 173.1 | -170.4 | 176 | 179.6 | -179.6 | 0 | 110.5 | Y260 V261 A284 | Y260-K286 HydrophobicContact CD1-CD 4.18Å; Y260-K286 HydrophobicContact CD1-CG 3.92Å; V261-K286 WeakPolarHBondContact O-CA 3.46Å; A284-K286 PolarHBondContact O-N 3.26Å; A284-K286 VanDerWaalsContact O-N 3.1Å |
| 287 | L | 96.7 | Very high | 86.4 | Confident | 25 Ų | 25 | 74 Ų | 74 | 13% | 0.131 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 142.1 | 176.3 | -69.3 | 176 | 0 | 0 | 0 | 110.5 | Y260 V261 L263 F268 K285 N353 I357 | Y260-L287 VanDerWaalsContact CA-O 3.26Å; Y260-L287 WeakPolarHBondContact CA-O 2.98Å; Y260-L287 WeakPolarHBondContact CD1-O 3.3Å; V261-L287 HydrophobicContact CG1-CB 4.03Å; V261-L287 PolarHBondContact N-O 3.36Å; V261-L287 PolarHBondContact O-N 2.89Å; L263-L287 HydrophobicContact CD1-CD1 3.89Å; F268-L287 HydrophobicContact CE1-CD1 4.05Å; K285-L287 HydrophobicContact CG-CD1 4.42Å; K285-L287 HydrophobicContact CG-CG 4.14Å; L287-N353 HydrophobicContact CD1-CB 4.06Å; L287-I357 HydrophobicContact CD1-CD1 3.87Å |
| 288 | Q | 96 | Very high | 88.6 | Confident | 84 Ų | 84 | 74.1 Ų | 74.1 | 39% | 0.393 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 132.9 | 171.1 | -165.9 | 177 | 17.2 | 0 | 0 | 109 | S259 Y260 N290 | S259-Q288 CarbonylContact O-C 3.58Å; S259-Q288 VanDerWaalsContact O-CA 3.31Å; S259-Q288 WeakPolarHBondContact O-CA 3.31Å; S259-Q288 WeakPolarHBondContact O-CG 3.45Å; Y260-Q288 HydrophobicContact CD1-CB 3.89Å; Y260-Q288 HydrophobicContact CD1-CG 4.25Å; Y260-Q288 HydrophobicContact CE1-CB 3.52Å; Y260-Q288 HydrophobicContact CE1-CG 3.8Å; Y260-Q288 HydrophobicContact CE2-CG 4.25Å; Q288-N290 PolarHBondContact NE2-ND2 2.89Å |
| 289 | L | 97.3 | Very high | 90.7 | Very high | 3 Ų | 3 | 66.5 Ų | 66.5 | 2% | 0.016 | 36% | 0.361 | C | S | . | . | trans | -120.2 | 103.4 | -175.2 | -62.3 | -175.6 | 0 | 0 | 0 | 109.4 | I250 I256 S259 V261 Y296 | I250-L289 HydrophobicContact CD1-CD1 4.23Å; I250-L289 HydrophobicContact CG2-CD1 4.04Å; I256-L289 HydrophobicContact CD1-CD1 3.88Å; I256-L289 HydrophobicContact CG1-CD1 4.22Å; S259-L289 WeakPolarHBondContact CB-O 3.42Å; S259-L289 PolarHBondContact O-N 3.48Å; V261-L289 HydrophobicContact CB-CD1 3.94Å; V261-L289 HydrophobicContact CG1-CD1 3.69Å; V261-L289 HydrophobicContact CG1-CD2 4.4Å; V261-L289 HydrophobicContact CG1-CG 4.04Å; L289-Y296 HydrophobicContact CB-CD1 4.49Å; L289-Y296 HydrophobicContact CB-CE1 3.79Å; L289-Y296 HydrophobicContact CB-CE2 4.24Å; L289-Y296 HydrophobicContact CD1-CE2 4.39Å; L289-Y296 HydrophobicContact CD2-CD2 4.12Å; L289-Y296 HydrophobicContact CD2-CE2 3.86Å; L289-Y296 HydrophobicContact CG-CE2 4.38Å | ||
| 290 | N | 95.3 | Very high | 92.4 | Very high | 7 Ų | 7 | 59.3 Ų | 59.3 | 4% | 0.037 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -163.3 | 175.9 | 172.7 | 59.9 | 42.4 | 0 | 0 | 0 | 110.6 | Q288 A292 E293 Y296 | Q288-N290 PolarHBondContact NE2-ND2 2.89Å; N290-A292 PolarHBondContact O-N 3.37Å; N290-A292 WeakPolarHBondContact OD1-CB 3.39Å; N290-A292 PolarHBondContact OD1-N 2.63Å; N290-E293 PolarHBondContact O-N 3.48Å; N290-Y296 WeakPolarHBondContact O-CD1 3.32Å |
| 291 | S | 95.4 | Very high | 94 | Very high | 20 Ų | 20 | 53.8 Ų | 53.8 | 14% | 0.14 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 7.4 | -177.2 | -51.3 | 0 | 0 | 0 | 0 | 115.5 | Y7 D148 R300 | Y7-S291 WeakPolarHBondContact CE1-OG 3.24Å; Y7-S291 PolarHBondContact OH-OG 3.32Å; Y7-S291 VanDerWaalsContact OH-OG 3.07Å; D148-S291 VanDerWaalsContact CG-OG 3.22Å; D148-S291 WeakPolarHBondContact OD1-CB 3.5Å; D148-S291 PolarHBondContact OD1-OG 3.21Å; D148-S291 WeakPolarHBondContact OD2-CB 3.07Å; D148-S291 PolarHBondContact OD2-N 3.05Å; D148-S291 PolarHBondContact OD2-OG 3.14Å; S291-R300 PolarHBondContact OG-NH1 3.14Å; S291-R300 PolarHBondContact OG-NH2 3.45Å |
| 292 | A | 93.3 | Very high | 95.3 | Very high | 71 Ų | 71 | 54.4 Ų | 54.4 | 59% | 0.587 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -23.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | H4 N290 | H4-A292 HydrophobicContact CB-CB 4.17Å; N290-A292 PolarHBondContact O-N 3.37Å; N290-A292 WeakPolarHBondContact OD1-CB 3.39Å; N290-A292 PolarHBondContact OD1-N 2.63Å |
| 293 | E | 94.4 | Very high | 96.1 | Very high | 47 Ų | 47 | 48.2 Ų | 48.2 | 22% | 0.22 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -97.6 | 111.9 | 174 | -177.5 | 172.4 | -150.3 | 0 | 0 | 110 | N290 L295 Y296 A297 S350 H354 | N290-E293 PolarHBondContact O-N 3.48Å; E293-L295 PolarHBondContact O-N 3.48Å; E293-Y296 PolarHBondContact O-N 3.03Å; E293-A297 PolarHBondContact O-N 3.06Å; E293-S350 VanDerWaalsContact CD-OG 3.27Å; E293-S350 WeakPolarHBondContact CG-OG 3.2Å; E293-S350 VanDerWaalsContact OE1-CA 3.27Å; E293-S350 WeakPolarHBondContact OE1-CA 3.35Å; E293-S350 WeakPolarHBondContact OE1-CB 3.29Å; E293-S350 PolarHBondContact OE1-OG 3.02Å; E293-H354 VanDerWaalsContact CD-NE2 3.3Å; E293-H354 IonicContact OE1-CD2 2.86Å; E293-H354 IonicContact OE1-NE2 3.6Å; E293-H354 PolarHBondContact OE1-NE2 3.35Å; E293-H354 IonicContact OE2-CE1 3.66Å; E293-H354 IonicContact OE2-NE2 3.63Å; E293-H354 PolarHBondContact OE2-NE2 3.41Å; E293-H354 VanDerWaalsContact OE2-NE2 3.15Å |
| 294 | E | 94.1 | Very high | 96.5 | Very high | 118 Ų | 118 | 41.6 Ų | 41.6 | 55% | 0.551 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -57.3 | -45.4 | -173.5 | -173.6 | -166.8 | 142.2 | 0 | 0 | 112.8 | Y296 A297 E298 K314 | E294-Y296 PolarHBondContact O-N 3.12Å; E294-A297 PolarHBondContact O-N 3.17Å; E294-E298 PolarHBondContact O-N 3.07Å; E294-E298 VanDerWaalsContact O-N 3.11Å; E294-K314 IonicContact OE1-NZ 3.75Å; E294-K314 PolarHBondContact OE1-NZ 3.38Å |
| 295 | L | 97.6 | Very high | 96.8 | Very high | 13 Ų | 13 | 43.6 Ų | 43.6 | 7% | 0.068 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.9 | -42.9 | -179.9 | 179.2 | 59.2 | 0 | 0 | 0 | 111.3 | E293 E298 I299 L311 K314 S350 L351 H354 | E293-L295 PolarHBondContact O-N 3.48Å; L295-E298 PolarHBondContact O-N 3.24Å; L295-I299 HydrophobicContact CD1-CG2 4.16Å; L295-I299 HydrophobicContact CG-CD1 4.43Å; L295-I299 WeakPolarHBondContact O-CG1 3.41Å; L295-I299 PolarHBondContact O-N 3.44Å; L295-I299 VanDerWaalsContact O-N 3.16Å; L295-L311 HydrophobicContact CD1-CD2 4.31Å; L295-L311 HydrophobicContact CD2-CD2 4.06Å; L295-K314 HydrophobicContact CD1-CB 4.42Å; L295-K314 HydrophobicContact CD1-CD 4.38Å; L295-K314 HydrophobicContact CD1-CG 3.87Å; L295-S350 WeakPolarHBondContact CB-OG 3.41Å; L295-L351 HydrophobicContact CD2-CB 4.15Å; L295-L351 HydrophobicContact CD2-CD1 4.06Å; L295-H354 HydrophobicContact CD2-CB 4.16Å |
| 296 | Y | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.7 | -47.7 | 177 | -177.6 | -112.7 | 0 | 0 | 0 | 111.3 | Y246 E247 I250 L289 N290 E293 E294 E298 I299 R300 H354 | Y246-Y296 HydrophobicContact CD1-CD2 4.49Å; Y246-Y296 HydrophobicContact CD1-CE2 4.21Å; Y246-Y296 HydrophobicContact CE1-CD2 4.06Å; Y246-Y296 AromaticContact CE1-CE2 3.98Å; Y246-Y296 HydrophobicContact CE1-CE2 3.98Å; E247-Y296 WeakPolarHBondContact CG-OH 3.16Å; E247-Y296 PolarHBondContact OE1-OH 2.72Å; I250-Y296 HydrophobicContact CD1-CE2 4.49Å; L289-Y296 HydrophobicContact CB-CD1 4.49Å; L289-Y296 HydrophobicContact CB-CE1 3.79Å; L289-Y296 HydrophobicContact CB-CE2 4.24Å; L289-Y296 HydrophobicContact CD1-CE2 4.39Å; L289-Y296 HydrophobicContact CD2-CD2 4.12Å; L289-Y296 HydrophobicContact CD2-CE2 3.86Å; L289-Y296 HydrophobicContact CG-CE2 4.38Å; N290-Y296 WeakPolarHBondContact O-CD1 3.32Å; E293-Y296 PolarHBondContact O-N 3.03Å; E294-Y296 PolarHBondContact O-N 3.12Å; Y296-E298 PolarHBondContact O-N 3.44Å; Y296-I299 PolarHBondContact O-N 2.91Å; Y296-I299 VanDerWaalsContact O-N 3.13Å; Y296-R300 HydrophobicContact CD1-CB 4.46Å; Y296-R300 HydrophobicContact CD2-CB 4.33Å; Y296-R300 HydrophobicContact CE1-CB 4.07Å; Y296-R300 HydrophobicContact CE2-CB 3.96Å; Y296-R300 VanDerWaalsContact O-CB 3.29Å; Y296-R300 WeakPolarHBondContact O-CB 3.45Å; Y296-R300 WeakPolarHBondContact O-CG 3.25Å; Y296-R300 PolarHBondContact O-N 2.92Å; Y296-H354 AromaticContact CD2-CE1 3.41Å; Y296-H354 VanDerWaalsContact CD2-CE1 3.41Å; Y296-H354 WeakPolarHBondContact CD2-CE1 3.33Å |
| 297 | A | 96.8 | Very high | 97.1 | Very high | 33 Ų | 33 | 34.6 Ų | 34.6 | 27% | 0.273 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -56.3 | -33.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E293 E294 | E293-A297 PolarHBondContact O-N 3.06Å; E294-A297 PolarHBondContact O-N 3.17Å |
| 298 | E | 97.5 | Very high | 97.1 | Very high | 75 Ų | 75 | 35.4 Ų | 35.4 | 35% | 0.35 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -76.3 | -34.1 | 178.4 | -174.9 | 176.5 | 164.4 | 0 | 0 | 113.6 | E294 L295 Y296 K302 V310 K314 | E294-E298 PolarHBondContact O-N 3.07Å; E294-E298 VanDerWaalsContact O-N 3.11Å; L295-E298 PolarHBondContact O-N 3.24Å; Y296-E298 PolarHBondContact O-N 3.44Å; E298-K302 WeakPolarHBondContact O-CE 3.32Å; E298-V310 HydrophobicContact CG-CG1 4.34Å; E298-V310 WeakPolarHBondContact OE1-CG1 3.32Å; E298-K314 WeakPolarHBondContact OE2-CE 3.31Å; E298-K314 IonicContact OE2-NZ 3.16Å; E298-K314 PolarHBondContact OE2-NZ 2.9Å |
| 299 | I | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -102.3 | -22.6 | -172 | 68.8 | -178.6 | 0 | 0 | 0 | 114.6 | Y246 L295 Y296 D301 K302 V307 V310 L311 H354 | Y246-I299 WeakPolarHBondContact CB-O 3.37Å; Y246-I299 HydrophobicContact CD1-CD1 3.99Å; Y246-I299 HydrophobicContact CD1-CG1 3.78Å; Y246-I299 HydrophobicContact CE1-CD1 3.67Å; Y246-I299 HydrophobicContact CE1-CG1 3.91Å; Y246-I299 HydrophobicContact CE2-CD1 4.31Å; Y246-I299 HydrophobicContact CG-CD1 4.45Å; Y246-I299 HydrophobicContact CG-CG1 4.31Å; L295-I299 HydrophobicContact CD1-CG2 4.16Å; L295-I299 HydrophobicContact CG-CD1 4.43Å; L295-I299 WeakPolarHBondContact O-CG1 3.41Å; L295-I299 PolarHBondContact O-N 3.44Å; L295-I299 VanDerWaalsContact O-N 3.16Å; Y296-I299 PolarHBondContact O-N 2.91Å; Y296-I299 VanDerWaalsContact O-N 3.13Å; I299-D301 VanDerWaalsContact C-N 3.27Å; I299-D301 PolarHBondContact O-N 3.46Å; I299-D301 VanDerWaalsContact O-N 3.17Å; I299-K302 WeakPolarHBondContact O-CB 3.39Å; I299-K302 PolarHBondContact O-N 2.88Å; I299-V307 HydrophobicContact CB-CG1 4.48Å; I299-V307 HydrophobicContact CD1-CG1 4.33Å; I299-V310 HydrophobicContact CG2-CB 4.11Å; I299-V310 HydrophobicContact CG2-CG1 3.65Å; I299-L311 HydrophobicContact CD1-CD2 4.24Å; I299-H354 HydrophobicContact CD1-CB 4.04Å |
| 300 | R | 98.5 | Very high | 97.3 | Very high | 10 Ų | 10 | 35.2 Ų | 35.2 | 4% | 0.038 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -40.2 | -172.5 | 62.5 | 172.9 | -174.4 | -169.9 | -7.9 | 114.5 | Y7 D148 E247 S291 Y296 R562 | Y7-R300 PolarHBondContact OH-NH2 3.31Å; Y7-R300 VanDerWaalsContact OH-NH2 3.1Å; D148-R300 IonicContact OD2-CZ 3.45Å; D148-R300 IonicContact OD2-NH1 2.68Å; D148-R300 PolarHBondContact OD2-NH1 3.3Å; D148-R300 IonicContact OD2-NH2 3.28Å; E247-R300 HydrophobicContact CB-CB 3.94Å; E247-R300 WeakPolarHBondContact CB-O 3.48Å; E247-R300 PolarHBondContact N-O 3.1Å; S291-R300 PolarHBondContact OG-NH1 3.14Å; S291-R300 PolarHBondContact OG-NH2 3.45Å; Y296-R300 HydrophobicContact CD1-CB 4.46Å; Y296-R300 HydrophobicContact CD2-CB 4.33Å; Y296-R300 HydrophobicContact CE1-CB 4.07Å; Y296-R300 HydrophobicContact CE2-CB 3.96Å; Y296-R300 VanDerWaalsContact O-CB 3.29Å; Y296-R300 WeakPolarHBondContact O-CB 3.45Å; Y296-R300 WeakPolarHBondContact O-CG 3.25Å; Y296-R300 PolarHBondContact O-N 2.92Å; R300-R562 VanDerWaalsContact NE-NH1 3.14Å; R300-R562 VanDerWaalsContact NH2-CZ 3.27Å |
| 301 | D | 98.6 | Very high | 97.4 | Very high | 16 Ų | 16 | 35.5 Ų | 35.5 | 9% | 0.086 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -4.6 | -173.7 | -56.3 | -50.8 | 0 | 0 | 0 | 111.8 | I299 Y487 A559 R562 | I299-D301 VanDerWaalsContact C-N 3.27Å; I299-D301 PolarHBondContact O-N 3.46Å; I299-D301 VanDerWaalsContact O-N 3.17Å; D301-Y487 WeakPolarHBondContact O-CE2 3.26Å; D301-Y487 PolarHBondContact O-OH 3.15Å; D301-A559 HydrophobicContact CB-CB 3.79Å; D301-A559 WeakPolarHBondContact OD1-CA 3.45Å; D301-R562 VanDerWaalsContact OD1-CD 3.3Å; D301-R562 WeakPolarHBondContact OD1-CD 3.35Å; D301-R562 IonicContact OD1-NH1 3.69Å; D301-R562 PolarHBondContact OD1-NH1 2.69Å; D301-R562 VanDerWaalsContact OD1-NH1 3.11Å; D301-R562 WeakPolarHBondContact OD2-CD 3.14Å |
| 302 | K | 98.7 | Very high | 97.5 | Very high | 72 Ų | 72 | 37.9 Ų | 37.9 | 31% | 0.313 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -78.5 | 145.2 | 180 | -65.4 | -173.1 | 179.8 | -62.7 | 0 | 110.5 | T245 Y246 E298 I299 A306 V307 V310 | T245-K302 CarbonylContact C-O 3.47Å; T245-K302 VanDerWaalsContact CA-O 3.22Å; T245-K302 WeakPolarHBondContact CA-O 3.43Å; Y246-K302 PolarHBondContact N-O 2.91Å; E298-K302 WeakPolarHBondContact O-CE 3.32Å; I299-K302 WeakPolarHBondContact O-CB 3.39Å; I299-K302 PolarHBondContact O-N 2.88Å; K302-A306 HydrophobicContact CB-CB 4.34Å; K302-V307 HydrophobicContact CB-CG2 4.37Å; K302-V310 HydrophobicContact CD-CG2 3.82Å |
| 303 | N | 98.7 | Very high | 97.8 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -58.1 | 140.6 | 163.4 | -177.7 | -69.6 | 0 | 0 | 0 | 108.9 | L244 N305 A306 E479 Y487 S490 | L244-N303 WeakPolarHBondContact O-CA 3.35Å; N303-N305 PolarHBondContact O-N 3.35Å; N303-N305 VanDerWaalsContact O-N 3.13Å; N303-N305 WeakPolarHBondContact OD1-CB 3.2Å; N303-N305 PolarHBondContact OD1-N 2.99Å; N303-A306 WeakPolarHBondContact O-CB 3.33Å; N303-A306 PolarHBondContact O-N 3.28Å; N303-E479 HydrophobicContact CB-CB 4Å; N303-E479 HydrophobicContact CB-CG 4.45Å; N303-Y487 HydrophobicContact CB-CD2 3.95Å; N303-Y487 PolarHBondContact ND2-O 3.31Å; N303-S490 PolarHBondContact ND2-OG 2.84Å |
| 304 | F | 98.6 | Very high | 97.9 | Very high | 26 Ų | 26 | 40.6 Ų | 40.6 | 11% | 0.114 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -55.9 | -34.1 | -173.5 | -171.7 | -116.2 | 0 | 0 | 0 | 113.8 | L244 Y246 L249 A306 V307 A358 I361 K362 | L244-F304 PolarHBondContact O-N 2.92Å; Y246-F304 HydrophobicContact CD2-CD2 4.05Å; Y246-F304 HydrophobicContact CD2-CE2 4.17Å; L249-F304 HydrophobicContact CD1-CB 3.44Å; L249-F304 VanDerWaalsContact CD1-CB 3.44Å; L249-F304 HydrophobicContact CD1-CD1 4.15Å; L249-F304 HydrophobicContact CD1-CD2 4.14Å; L249-F304 HydrophobicContact CD1-CG 3.64Å; F304-A306 PolarHBondContact O-N 3.2Å; F304-A306 VanDerWaalsContact O-N 3.14Å; F304-V307 HydrophobicContact CD2-CB 4.44Å; F304-V307 HydrophobicContact CD2-CG2 4.23Å; F304-V307 WeakPolarHBondContact O-CB 3.38Å; F304-V307 PolarHBondContact O-N 3.48Å; F304-A358 HydrophobicContact CE2-CB 4.17Å; F304-A358 HydrophobicContact CZ-CB 4.37Å; F304-A358 WeakPolarHBondContact CZ-O 3.46Å; F304-I361 HydrophobicContact CD1-CG2 3.99Å; F304-I361 HydrophobicContact CD2-CB 4.49Å; F304-I361 HydrophobicContact CD2-CD1 4.31Å; F304-I361 HydrophobicContact CD2-CG2 3.86Å; F304-I361 HydrophobicContact CE1-CB 4.31Å; F304-I361 HydrophobicContact CE1-CG2 3.68Å; F304-I361 HydrophobicContact CE2-CB 3.76Å; F304-I361 HydrophobicContact CE2-CD1 3.91Å; F304-I361 HydrophobicContact CE2-CG1 4.46Å; F304-I361 HydrophobicContact CE2-CG2 3.56Å; F304-I361 HydrophobicContact CG-CG2 4.08Å; F304-I361 HydrophobicContact CZ-CB 3.66Å; F304-I361 HydrophobicContact CZ-CG2 3.47Å; F304-I361 VanDerWaalsContact CZ-CG2 3.47Å; F304-K362 HydrophobicContact CE1-CB 4.33Å; F304-K362 HydrophobicContact CZ-CB 4.33Å |
| 305 | N | 97.8 | Very high | 98.1 | Very high | 97 Ų | 97 | 36.5 Ų | 36.5 | 52% | 0.519 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64 | -19.5 | 177.7 | -71.9 | -21.6 | 0 | 0 | 0 | 113.3 | N303 E479 | N303-N305 PolarHBondContact O-N 3.35Å; N303-N305 VanDerWaalsContact O-N 3.13Å; N303-N305 WeakPolarHBondContact OD1-CB 3.2Å; N303-N305 PolarHBondContact OD1-N 2.99Å; N305-E479 HydrophobicContact CB-CB 4.38Å; N305-E479 WeakPolarHBondContact CB-OE2 3.25Å; N305-E479 PolarHBondContact ND2-OE2 3.47Å |
| 306 | A | 98.2 | Very high | 98.1 | Very high | 5 Ų | 5 | 43.5 Ų | 43.5 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -88.9 | -15 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | K302 N303 F304 S309 Q480 | K302-A306 HydrophobicContact CB-CB 4.34Å; N303-A306 WeakPolarHBondContact O-CB 3.33Å; N303-A306 PolarHBondContact O-N 3.28Å; F304-A306 PolarHBondContact O-N 3.2Å; F304-A306 VanDerWaalsContact O-N 3.14Å; A306-S309 PolarHBondContact O-OG 2.91Å; A306-Q480 HydrophobicContact CB-CG 4.46Å |
| 307 | V | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.5 | -41.8 | -171.6 | 175.6 | 0 | 0 | 0 | 0 | 111.8 | Y246 I299 K302 F304 S309 V310 L311 | Y246-V307 HydrophobicContact CD2-CB 4.5Å; Y246-V307 HydrophobicContact CD2-CG1 3.96Å; Y246-V307 HydrophobicContact CD2-CG2 3.93Å; Y246-V307 HydrophobicContact CE2-CG1 4.24Å; Y246-V307 HydrophobicContact CG-CG2 4.15Å; I299-V307 HydrophobicContact CB-CG1 4.48Å; I299-V307 HydrophobicContact CD1-CG1 4.33Å; K302-V307 HydrophobicContact CB-CG2 4.37Å; F304-V307 HydrophobicContact CD2-CB 4.44Å; F304-V307 HydrophobicContact CD2-CG2 4.23Å; F304-V307 WeakPolarHBondContact O-CB 3.38Å; F304-V307 PolarHBondContact O-N 3.48Å; V307-S309 VanDerWaalsContact C-N 3.27Å; V307-S309 PolarHBondContact O-N 2.9Å; V307-V310 PolarHBondContact O-N 3.45Å; V307-V310 VanDerWaalsContact O-N 3.1Å; V307-L311 HydrophobicContact CG1-CD1 3.84Å; V307-L311 HydrophobicContact CG1-CG 3.99Å; V307-L311 WeakPolarHBondContact O-CG 3.49Å; V307-L311 PolarHBondContact O-N 2.97Å |
| 308 | G | 97.9 | Very high | 97.9 | Very high | 43 Ų | 43 | 47.5 Ų | 47.5 | 44% | 0.443 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.7 | -35.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S312 | G308-S312 WeakPolarHBondContact O-CB 3.34Å; G308-S312 PolarHBondContact O-N 2.97Å; G308-S312 PolarHBondContact O-OG 3.43Å |
| 309 | S | 97.4 | Very high | 97.8 | Very high | 66 Ų | 66 | 47.3 Ų | 47.3 | 46% | 0.462 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -69.5 | -38.6 | 177.3 | 68.3 | 0 | 0 | 0 | 0 | 111.7 | A306 V307 S312 K313 | A306-S309 PolarHBondContact O-OG 2.91Å; V307-S309 VanDerWaalsContact C-N 3.27Å; V307-S309 PolarHBondContact O-N 2.9Å; S309-S312 PolarHBondContact O-N 3.04Å; S309-K313 WeakPolarHBondContact O-CB 3.31Å; S309-K313 PolarHBondContact O-N 2.96Å |
| 310 | V | 98.1 | Very high | 97.6 | Very high | 17 Ų | 17 | 50 Ų | 50 | 10% | 0.103 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.7 | -48.3 | 176.5 | -178.7 | 0 | 0 | 0 | 0 | 111 | E298 I299 K302 V307 S312 K313 K314 | E298-V310 HydrophobicContact CG-CG1 4.34Å; E298-V310 WeakPolarHBondContact OE1-CG1 3.32Å; I299-V310 HydrophobicContact CG2-CB 4.11Å; I299-V310 HydrophobicContact CG2-CG1 3.65Å; K302-V310 HydrophobicContact CD-CG2 3.82Å; V307-V310 PolarHBondContact O-N 3.45Å; V307-V310 VanDerWaalsContact O-N 3.1Å; V310-S312 VanDerWaalsContact C-N 3.31Å; V310-S312 PolarHBondContact O-N 3.22Å; V310-K313 PolarHBondContact O-N 3.12Å; V310-K313 VanDerWaalsContact O-N 3.17Å; V310-K314 HydrophobicContact CG1-CG 4.4Å; V310-K314 WeakPolarHBondContact O-CG 3.14Å; V310-K314 PolarHBondContact O-N 3.18Å |
| 311 | L | 98.4 | Very high | 97.3 | Very high | 13 Ų | 13 | 50.8 Ų | 50.8 | 7% | 0.068 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.7 | -44 | 177 | -66.1 | 179.8 | 0 | 0 | 0 | 111.2 | L295 I299 V307 K313 K314 A315 L351 H354 A358 | L295-L311 HydrophobicContact CD1-CD2 4.31Å; L295-L311 HydrophobicContact CD2-CD2 4.06Å; I299-L311 HydrophobicContact CD1-CD2 4.24Å; V307-L311 HydrophobicContact CG1-CD1 3.84Å; V307-L311 HydrophobicContact CG1-CG 3.99Å; V307-L311 WeakPolarHBondContact O-CG 3.49Å; V307-L311 PolarHBondContact O-N 2.97Å; L311-K313 VanDerWaalsContact C-N 3.35Å; L311-K313 PolarHBondContact O-N 2.68Å; L311-K314 PolarHBondContact O-N 3.38Å; L311-A315 WeakPolarHBondContact O-CB 3.07Å; L311-A315 PolarHBondContact O-N 3.16Å; L311-L351 HydrophobicContact CB-CD1 4.39Å; L311-L351 HydrophobicContact CD2-CD1 3.99Å; L311-H354 HydrophobicContact CD2-CB 4.08Å; L311-A358 HydrophobicContact CD1-CB 3.86Å |
| 312 | S | 98.2 | Very high | 97 | Very high | 70 Ų | 70 | 51.9 Ų | 51.9 | 49% | 0.49 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 176.9 | -62.5 | 0 | 0 | 0 | 0 | 112.5 | G308 S309 V310 K316 | G308-S312 WeakPolarHBondContact O-CB 3.34Å; G308-S312 PolarHBondContact O-N 2.97Å; G308-S312 PolarHBondContact O-OG 3.43Å; S309-S312 PolarHBondContact O-N 3.04Å; V310-S312 VanDerWaalsContact C-N 3.31Å; V310-S312 PolarHBondContact O-N 3.22Å; S312-K316 WeakPolarHBondContact O-CG 3.23Å; S312-K316 PolarHBondContact O-N 3.3Å |
| 313 | K | 98 | Very high | 96.7 | Very high | 138 Ų | 138 | 54 Ų | 54 | 60% | 0.6 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -65.2 | -46.6 | 176.1 | -175.5 | -178.5 | 177.6 | -175.2 | 0 | 111.2 | S309 V310 L311 A315 K316 I317 | S309-K313 WeakPolarHBondContact O-CB 3.31Å; S309-K313 PolarHBondContact O-N 2.96Å; V310-K313 PolarHBondContact O-N 3.12Å; V310-K313 VanDerWaalsContact O-N 3.17Å; L311-K313 VanDerWaalsContact C-N 3.35Å; L311-K313 PolarHBondContact O-N 2.68Å; K313-A315 VanDerWaalsContact C-N 3.34Å; K313-A315 PolarHBondContact O-N 3.03Å; K313-K316 PolarHBondContact O-N 3.04Å; K313-I317 HydrophobicContact CG-CD1 4.1Å; K313-I317 WeakPolarHBondContact O-CG1 3.41Å; K313-I317 PolarHBondContact O-N 2.53Å; K313-I317 VanDerWaalsContact O-N 3.08Å |
| 314 | K | 97.2 | Very high | 96.3 | Very high | 36 Ų | 36 | 58.9 Ų | 58.9 | 16% | 0.157 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64 | -38 | 178.2 | -72.2 | -79.2 | -175.2 | 167.4 | 0 | 112.1 | E294 L295 E298 V310 L311 K316 I317 I318 L351 | E294-K314 IonicContact OE1-NZ 3.75Å; E294-K314 PolarHBondContact OE1-NZ 3.38Å; L295-K314 HydrophobicContact CD1-CB 4.42Å; L295-K314 HydrophobicContact CD1-CD 4.38Å; L295-K314 HydrophobicContact CD1-CG 3.87Å; E298-K314 WeakPolarHBondContact OE2-CE 3.31Å; E298-K314 IonicContact OE2-NZ 3.16Å; E298-K314 PolarHBondContact OE2-NZ 2.9Å; V310-K314 HydrophobicContact CG1-CG 4.4Å; V310-K314 WeakPolarHBondContact O-CG 3.14Å; V310-K314 PolarHBondContact O-N 3.18Å; L311-K314 PolarHBondContact O-N 3.38Å; K314-K316 VanDerWaalsContact C-N 3.34Å; K314-K316 PolarHBondContact O-N 3.45Å; K314-I317 PolarHBondContact O-N 2.68Å; K314-I318 WeakPolarHBondContact O-CB 3.31Å; K314-I318 WeakPolarHBondContact O-CG1 3.49Å; K314-I318 PolarHBondContact O-N 3.34Å; K314-L351 HydrophobicContact CB-CD1 4.28Å |
| 315 | A | 97.7 | Very high | 95.7 | Very high | 33 Ų | 33 | 65.8 Ų | 65.8 | 27% | 0.273 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.7 | -44.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L311 K313 S319 L351 | L311-A315 WeakPolarHBondContact O-CB 3.07Å; L311-A315 PolarHBondContact O-N 3.16Å; K313-A315 VanDerWaalsContact C-N 3.34Å; K313-A315 PolarHBondContact O-N 3.03Å; A315-S319 WeakPolarHBondContact O-CB 3.33Å; A315-S319 PolarHBondContact O-N 3.36Å; A315-S319 PolarHBondContact O-OG 3.26Å; A315-L351 VanDerWaalsContact CA-CD2 3.46Å; A315-L351 HydrophobicContact CB-CD2 3.72Å |
| 316 | K | 98 | Very high | 95.2 | Very high | 160 Ų | 160 | 67.4 Ų | 67.4 | 70% | 0.696 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.4 | -44.9 | 176.3 | -69.2 | 175.7 | -177.5 | 180 | 0 | 112 | S312 K313 K314 S319 A320 | S312-K316 WeakPolarHBondContact O-CG 3.23Å; S312-K316 PolarHBondContact O-N 3.3Å; K313-K316 PolarHBondContact O-N 3.04Å; K314-K316 VanDerWaalsContact C-N 3.34Å; K314-K316 PolarHBondContact O-N 3.45Å; K316-S319 PolarHBondContact O-N 3.33Å; K316-A320 WeakPolarHBondContact O-CB 3.06Å; K316-A320 PolarHBondContact O-N 3.36Å |
| 317 | I | 96.2 | Very high | 94.7 | Very high | 93 Ų | 93 | 72.6 Ų | 72.6 | 48% | 0.477 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.7 | -49.4 | 178.7 | -67.6 | 167.2 | 0 | 0 | 0 | 110.8 | K313 K314 S319 A320 A321 | K313-I317 HydrophobicContact CG-CD1 4.1Å; K313-I317 WeakPolarHBondContact O-CG1 3.41Å; K313-I317 PolarHBondContact O-N 2.53Å; K313-I317 VanDerWaalsContact O-N 3.08Å; K314-I317 PolarHBondContact O-N 2.68Å; I317-S319 VanDerWaalsContact C-N 3.35Å; I317-S319 PolarHBondContact O-N 3.13Å; I317-A320 PolarHBondContact O-N 3.31Å; I317-A321 PolarHBondContact O-N 3.26Å |
| 318 | I | 95 | Very high | 94 | Very high | 24 Ų | 24 | 73.6 Ų | 73.6 | 12% | 0.123 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 179.7 | -71 | 165.1 | 0 | 0 | 0 | 110 | K314 A320 A321 F322 A347 R348 L351 | K314-I318 WeakPolarHBondContact O-CB 3.31Å; K314-I318 WeakPolarHBondContact O-CG1 3.49Å; K314-I318 PolarHBondContact O-N 3.34Å; I318-A320 PolarHBondContact O-N 3.34Å; I318-A321 PolarHBondContact O-N 2.85Å; I318-F322 HydrophobicContact CG2-CD2 3.84Å; I318-F322 HydrophobicContact CG2-CE2 3.8Å; I318-F322 VanDerWaalsContact O-CD2 3.31Å; I318-F322 WeakPolarHBondContact O-CD2 3.3Å; I318-F322 PolarHBondContact O-N 3.37Å; I318-A347 HydrophobicContact CD1-CB 4.06Å; I318-A347 HydrophobicContact CG1-CB 4.38Å; I318-R348 HydrophobicContact CG2-CB 4.19Å; I318-L351 HydrophobicContact CD1-CB 4.03Å; I318-L351 HydrophobicContact CD1-CD2 3.9Å |
| 319 | S | 95 | Very high | 93.7 | Very high | 70 Ų | 70 | 80.3 Ų | 80.3 | 49% | 0.49 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -59.2 | -47 | 178.3 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | A315 K316 I317 A321 F322 E323 | A315-S319 WeakPolarHBondContact O-CB 3.33Å; A315-S319 PolarHBondContact O-N 3.36Å; A315-S319 PolarHBondContact O-OG 3.26Å; K316-S319 PolarHBondContact O-N 3.33Å; I317-S319 VanDerWaalsContact C-N 3.35Å; I317-S319 PolarHBondContact O-N 3.13Å; S319-A321 VanDerWaalsContact C-N 3.34Å; S319-A321 PolarHBondContact O-N 3.25Å; S319-F322 PolarHBondContact O-N 3.25Å; S319-F322 VanDerWaalsContact O-N 3.17Å; S319-E323 WeakPolarHBondContact O-CG 3.41Å; S319-E323 PolarHBondContact O-N 3.06Å; S319-E323 VanDerWaalsContact O-N 3.14Å |
| 320 | A | 94.9 | Very high | 93.4 | Very high | 58 Ų | 58 | 80.6 Ų | 80.6 | 48% | 0.479 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.6 | -42.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K316 I317 I318 F322 E323 E324 | K316-A320 WeakPolarHBondContact O-CB 3.06Å; K316-A320 PolarHBondContact O-N 3.36Å; I317-A320 PolarHBondContact O-N 3.31Å; I318-A320 PolarHBondContact O-N 3.34Å; A320-F322 VanDerWaalsContact C-N 3.31Å; A320-F322 PolarHBondContact O-N 2.68Å; A320-E323 PolarHBondContact O-N 3.47Å; A320-E323 VanDerWaalsContact O-N 3.14Å; A320-E324 PolarHBondContact O-N 2.85Å |
| 321 | A | 92.9 | Very high | 93 | Very high | 26 Ų | 26 | 85.8 Ų | 85.8 | 22% | 0.215 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -61.8 | -37 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I317 I318 S319 E324 M344 | I317-A321 PolarHBondContact O-N 3.26Å; I318-A321 PolarHBondContact O-N 2.85Å; S319-A321 VanDerWaalsContact C-N 3.34Å; S319-A321 PolarHBondContact O-N 3.25Å; A321-E324 WeakPolarHBondContact O-CB 3.36Å; A321-E324 PolarHBondContact O-N 3.16Å; A321-M344 HydrophobicContact CB-CE 3.81Å; A321-M344 WeakPolarHBondContact O-CE 3.37Å |
| 322 | F | 92.6 | Very high | 92.7 | Very high | 38 Ų | 38 | 87.5 Ų | 87.5 | 17% | 0.167 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -68.6 | -32.6 | 175 | -87.4 | -84.8 | 0 | 0 | 0 | 112.9 | I318 S319 A320 E324 R325 L341 M344 Q345 R348 | I318-F322 HydrophobicContact CG2-CD2 3.84Å; I318-F322 HydrophobicContact CG2-CE2 3.8Å; I318-F322 VanDerWaalsContact O-CD2 3.31Å; I318-F322 WeakPolarHBondContact O-CD2 3.3Å; I318-F322 PolarHBondContact O-N 3.37Å; S319-F322 PolarHBondContact O-N 3.25Å; S319-F322 VanDerWaalsContact O-N 3.17Å; A320-F322 VanDerWaalsContact C-N 3.31Å; A320-F322 PolarHBondContact O-N 2.68Å; F322-E324 VanDerWaalsContact C-N 3.28Å; F322-E324 PolarHBondContact O-N 3.49Å; F322-R325 VanDerWaalsContact O-CB 3.22Å; F322-R325 WeakPolarHBondContact O-CB 3.47Å; F322-R325 PolarHBondContact O-N 3.21Å; F322-L341 HydrophobicContact CE1-CD1 4.01Å; F322-M344 HydrophobicContact CB-CE 4.27Å; F322-M344 HydrophobicContact CD1-CE 4.02Å; F322-M344 HydrophobicContact CD2-CE 3.79Å; F322-M344 HydrophobicContact CE1-CE 4.29Å; F322-M344 HydrophobicContact CE2-CB 3.84Å; F322-M344 HydrophobicContact CE2-CE 4.06Å; F322-M344 HydrophobicContact CG-CE 3.76Å; F322-M344 HydrophobicContact CZ-CB 3.8Å; F322-M344 HydrophobicContact CZ-CE 4.31Å; F322-Q345 HydrophobicContact CZ-CG 4.44Å; F322-R348 HydrophobicContact CE2-CB 4.13Å; F322-R348 HydrophobicContact CZ-CB 4.44Å |
| 323 | E | 91.8 | Very high | 92.4 | Very high | 116 Ų | 116 | 88.1 Ų | 88.1 | 54% | 0.542 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69.2 | -23.6 | 175.9 | -66.3 | -57.9 | 135.8 | 0 | 0 | 112.8 | S319 A320 R325 H326 | S319-E323 WeakPolarHBondContact O-CG 3.41Å; S319-E323 PolarHBondContact O-N 3.06Å; S319-E323 VanDerWaalsContact O-N 3.14Å; A320-E323 PolarHBondContact O-N 3.47Å; A320-E323 VanDerWaalsContact O-N 3.14Å; E323-R325 PolarHBondContact O-N 3.05Å; E323-H326 WeakPolarHBondContact O-CB 3.46Å; E323-H326 PolarHBondContact O-N 2.77Å; E323-H326 IonicContact OE2-CD2 3.48Å; E323-H326 PolarHBondContact OE2-CD2 3.1Å; E323-H326 IonicContact OE2-NE2 2.77Å |
| 324 | E | 89 | Confident | 92 | Very high | 107 Ų | 107 | 85.4 Ų | 85.4 | 50% | 0.5 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -57.9 | -22.6 | 173.9 | -65.6 | -175.9 | 179 | 0 | 0 | 112.7 | A320 A321 F322 H326 N327 A328 | A320-E324 PolarHBondContact O-N 2.85Å; A321-E324 WeakPolarHBondContact O-CB 3.36Å; A321-E324 PolarHBondContact O-N 3.16Å; F322-E324 VanDerWaalsContact C-N 3.28Å; F322-E324 PolarHBondContact O-N 3.49Å; E324-H326 PolarHBondContact O-N 2.93Å; E324-N327 WeakPolarHBondContact O-CB 3.45Å; E324-N327 PolarHBondContact O-N 3.29Å; E324-A328 PolarHBondContact O-N 3.47Å |
| 325 | R | 87.2 | Confident | 91.8 | Very high | 170 Ų | 170 | 91.6 Ų | 91.6 | 64% | 0.642 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -51.3 | -41.2 | 170.7 | -172.4 | -176.6 | 173.3 | -174.9 | -1.5 | 112.2 | F322 E323 N327 A328 F337 | F322-R325 VanDerWaalsContact O-CB 3.22Å; F322-R325 WeakPolarHBondContact O-CB 3.47Å; F322-R325 PolarHBondContact O-N 3.21Å; E323-R325 PolarHBondContact O-N 3.05Å; R325-N327 PolarHBondContact O-N 3.47Å; R325-A328 PolarHBondContact O-N 3.17Å; R325-F337 HydrophobicContact CB-CD1 4.41Å; R325-F337 HydrophobicContact CB-CD2 4.33Å; R325-F337 HydrophobicContact CB-CE1 3.83Å; R325-F337 HydrophobicContact CB-CE2 3.74Å; R325-F337 HydrophobicContact CB-CZ 3.48Å; R325-F337 VanDerWaalsContact CB-CZ 3.48Å; R325-F337 HydrophobicContact CG-CD1 4.2Å; R325-F337 HydrophobicContact CG-CE1 3.75Å; R325-F337 HydrophobicContact CG-CZ 3.94Å |
| 326 | H | 87.7 | Confident | 91.5 | Very high | 131 Ų | 131 | 95.8 Ų | 95.8 | 61% | 0.606 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -72.1 | -18.1 | -177.9 | -65.9 | -65.6 | 0 | 0 | 0 | 112.5 | E323 E324 | E323-H326 WeakPolarHBondContact O-CB 3.46Å; E323-H326 PolarHBondContact O-N 2.77Å; E323-H326 IonicContact OE2-CD2 3.48Å; E323-H326 PolarHBondContact OE2-CD2 3.1Å; E323-H326 IonicContact OE2-NE2 2.77Å; E324-H326 PolarHBondContact O-N 2.93Å |
| 327 | N | 87 | Confident | 91.2 | Very high | 115 Ų | 115 | 89.1 Ų | 89.1 | 62% | 0.615 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -89.6 | -18.7 | 178.1 | -63.2 | -30.8 | 0 | 0 | 0 | 113.2 | E324 R325 K329 | E324-N327 WeakPolarHBondContact O-CB 3.45Å; E324-N327 PolarHBondContact O-N 3.29Å; R325-N327 PolarHBondContact O-N 3.47Å; N327-K329 PolarHBondContact O-N 3.21Å; N327-K329 VanDerWaalsContact O-N 3.14Å |
| 328 | A | 84.8 | Confident | 91 | Very high | 22 Ų | 22 | 88.8 Ų | 88.8 | 18% | 0.182 | 47% | 0.465 | C | S | . | . | trans | -72.7 | 101.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | E324 R325 E333 I334 | E324-A328 PolarHBondContact O-N 3.47Å; R325-A328 PolarHBondContact O-N 3.17Å; A328-E333 HydrophobicContact CB-CB 3.82Å; A328-I334 HydrophobicContact CB-CG1 4.03Å | ||
| 329 | K | 90.5 | Very high | 91 | Very high | 183 Ų | 183 | 91.8 Ų | 91.8 | 80% | 0.796 | 49% | 0.488 | S | S | * | . | trans | -103 | -30.2 | -175.8 | -68.1 | 179.5 | -176.3 | 178.1 | 0 | 112.7 | N327 E333 | N327-K329 PolarHBondContact O-N 3.21Å; N327-K329 VanDerWaalsContact O-N 3.14Å; K329-E333 PolarHBondContact N-OE2 2.9Å | ||
| 330 | T | 91.5 | Very high | 90.9 | Very high | 72 Ų | 72 | 92.6 Ų | 92.6 | 44% | 0.442 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -91.6 | 154.9 | 179.4 | 69.7 | 0 | 0 | 0 | 0 | 111.4 | G332 E333 I334 | T330-G332 PolarHBondContact O-N 3.04Å; T330-E333 PolarHBondContact N-OE2 3.34Å; T330-E333 PolarHBondContact O-N 2.71Å; T330-E333 WeakPolarHBondContact OG1-CB 3.24Å; T330-E333 VanDerWaalsContact OG1-CD 3.24Å; T330-E333 WeakPolarHBondContact OG1-CG 3.32Å; T330-E333 PolarHBondContact OG1-N 2.76Å; T330-E333 VanDerWaalsContact OG1-N 3.15Å; T330-E333 PolarHBondContact OG1-OE2 2.93Å; T330-I334 VanDerWaalsContact O-CG1 3.28Å; T330-I334 WeakPolarHBondContact O-CG1 3.31Å; T330-I334 PolarHBondContact O-N 3.03Å |
| 331 | V | 89.2 | Confident | 90.8 | Very high | 126 Ų | 126 | 92.1 Ų | 92.1 | 76% | 0.764 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -57 | -34.4 | 174.5 | 179.7 | 0 | 0 | 0 | 0 | 111.5 | K335 | V331-K335 WeakPolarHBondContact O-CB 3.46Å; V331-K335 PolarHBondContact O-N 2.68Å |
| 332 | G | 92.3 | Very high | 90.9 | Very high | 49 Ų | 49 | 94.7 Ų | 94.7 | 51% | 0.505 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.6 | -49.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | T330 I334 K335 Q336 | T330-G332 PolarHBondContact O-N 3.04Å; G332-I334 VanDerWaalsContact C-N 3.34Å; G332-I334 PolarHBondContact O-N 2.93Å; G332-K335 PolarHBondContact O-N 2.89Å; G332-Q336 PolarHBondContact O-N 3.28Å |
| 333 | E | 91.2 | Very high | 90.9 | Very high | 84 Ų | 84 | 98.8 Ų | 98.8 | 39% | 0.393 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -42 | 175.9 | -70 | 160.8 | 171.1 | 0 | 0 | 111.4 | A328 K329 T330 K335 Q336 F337 | A328-E333 HydrophobicContact CB-CB 3.82Å; K329-E333 PolarHBondContact N-OE2 2.9Å; T330-E333 PolarHBondContact N-OE2 3.34Å; T330-E333 PolarHBondContact O-N 2.71Å; T330-E333 WeakPolarHBondContact OG1-CB 3.24Å; T330-E333 VanDerWaalsContact OG1-CD 3.24Å; T330-E333 WeakPolarHBondContact OG1-CG 3.32Å; T330-E333 PolarHBondContact OG1-N 2.76Å; T330-E333 VanDerWaalsContact OG1-N 3.15Å; T330-E333 PolarHBondContact OG1-OE2 2.93Å; E333-K335 PolarHBondContact O-N 3.08Å; E333-Q336 PolarHBondContact O-N 3.23Å; E333-F337 WeakPolarHBondContact O-CB 2.92Å; E333-F337 PolarHBondContact O-N 2.98Å |
| 334 | I | 90.2 | Very high | 91 | Very high | 81 Ų | 81 | 94.1 Ų | 94.1 | 42% | 0.415 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 176.7 | -66.6 | 166.3 | 0 | 0 | 0 | 110.2 | A328 T330 G332 Q336 F337 V338 | A328-I334 HydrophobicContact CB-CG1 4.03Å; T330-I334 VanDerWaalsContact O-CG1 3.28Å; T330-I334 WeakPolarHBondContact O-CG1 3.31Å; T330-I334 PolarHBondContact O-N 3.03Å; G332-I334 VanDerWaalsContact C-N 3.34Å; G332-I334 PolarHBondContact O-N 2.93Å; I334-Q336 VanDerWaalsContact C-N 3.35Å; I334-Q336 PolarHBondContact O-N 2.94Å; I334-F337 PolarHBondContact O-N 3.03Å; I334-V338 HydrophobicContact CG2-CG2 4.3Å; I334-V338 WeakPolarHBondContact O-CB 2.79Å; I334-V338 VanDerWaalsContact O-CG2 3.23Å; I334-V338 WeakPolarHBondContact O-CG2 3.29Å; I334-V338 PolarHBondContact O-N 3.2Å |
| 335 | K | 92.5 | Very high | 91.3 | Very high | 165 Ų | 165 | 94.4 Ų | 94.4 | 72% | 0.717 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.1 | -41.2 | 178 | -173.3 | 179.5 | 179 | -178.1 | 0 | 111.7 | V331 G332 E333 V338 S339 | V331-K335 WeakPolarHBondContact O-CB 3.46Å; V331-K335 PolarHBondContact O-N 2.68Å; G332-K335 PolarHBondContact O-N 2.89Å; E333-K335 PolarHBondContact O-N 3.08Å; K335-V338 PolarHBondContact O-N 3Å; K335-S339 PolarHBondContact O-N 3.42Å |
| 336 | Q | 91.9 | Very high | 91.6 | Very high | 121 Ų | 121 | 89.3 Ų | 89.3 | 57% | 0.565 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.7 | -47.6 | 175.8 | -177 | 178.3 | -6.3 | 0 | 0 | 111.1 | G332 E333 I334 V338 S339 Q340 | G332-Q336 PolarHBondContact O-N 3.28Å; E333-Q336 PolarHBondContact O-N 3.23Å; I334-Q336 VanDerWaalsContact C-N 3.35Å; I334-Q336 PolarHBondContact O-N 2.94Å; Q336-V338 PolarHBondContact O-N 3.22Å; Q336-S339 WeakPolarHBondContact O-CB 3.29Å; Q336-S339 PolarHBondContact O-N 3.18Å; Q336-S339 PolarHBondContact O-OG 3.34Å; Q336-Q340 PolarHBondContact O-N 2.94Å |
| 337 | F | 92.2 | Very high | 92 | Very high | 20 Ų | 20 | 84.4 Ų | 84.4 | 9% | 0.088 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -59.2 | -48 | 175.9 | -179.5 | -89.5 | 0 | 0 | 0 | 112 | R325 E333 I334 S339 Q340 L341 M344 | R325-F337 HydrophobicContact CB-CD1 4.41Å; R325-F337 HydrophobicContact CB-CD2 4.33Å; R325-F337 HydrophobicContact CB-CE1 3.83Å; R325-F337 HydrophobicContact CB-CE2 3.74Å; R325-F337 HydrophobicContact CB-CZ 3.48Å; R325-F337 VanDerWaalsContact CB-CZ 3.48Å; R325-F337 HydrophobicContact CG-CD1 4.2Å; R325-F337 HydrophobicContact CG-CE1 3.75Å; R325-F337 HydrophobicContact CG-CZ 3.94Å; E333-F337 WeakPolarHBondContact O-CB 2.92Å; E333-F337 PolarHBondContact O-N 2.98Å; I334-F337 PolarHBondContact O-N 3.03Å; F337-S339 PolarHBondContact O-N 2.96Å; F337-Q340 PolarHBondContact O-N 3.49Å; F337-L341 HydrophobicContact CE1-CD1 4.24Å; F337-L341 PolarHBondContact O-N 3.46Å; F337-M344 HydrophobicContact CE2-CE 3.95Å; F337-M344 HydrophobicContact CE2-SD 4.14Å; F337-M344 HydrophobicContact CZ-CE 4.1Å; F337-M344 HydrophobicContact CZ-SD 4.38Å |
| 338 | V | 92.7 | Very high | 92.4 | Very high | 87 Ų | 87 | 86.3 Ų | 86.3 | 53% | 0.527 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.6 | -33.7 | 178.1 | 169.6 | 0 | 0 | 0 | 0 | 111.6 | I334 K335 Q336 Q340 L341 | I334-V338 HydrophobicContact CG2-CG2 4.3Å; I334-V338 WeakPolarHBondContact O-CB 2.79Å; I334-V338 VanDerWaalsContact O-CG2 3.23Å; I334-V338 WeakPolarHBondContact O-CG2 3.29Å; I334-V338 PolarHBondContact O-N 3.2Å; K335-V338 PolarHBondContact O-N 3Å; Q336-V338 PolarHBondContact O-N 3.22Å; V338-Q340 VanDerWaalsContact C-N 3.34Å; V338-Q340 PolarHBondContact O-N 3.15Å; V338-L341 WeakPolarHBondContact O-CB 3.46Å; V338-L341 PolarHBondContact O-N 2.98Å |
| 339 | S | 94.3 | Very high | 93 | Very high | 86 Ų | 86 | 86.9 Ų | 86.9 | 60% | 0.601 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -69.1 | -28.3 | 176.7 | 77.4 | 0 | 0 | 0 | 0 | 114 | K335 Q336 F337 | K335-S339 PolarHBondContact O-N 3.42Å; Q336-S339 WeakPolarHBondContact O-CB 3.29Å; Q336-S339 PolarHBondContact O-N 3.18Å; Q336-S339 PolarHBondContact O-OG 3.34Å; F337-S339 PolarHBondContact O-N 2.96Å |
| 340 | Q | 93 | Very high | 93.3 | Very high | 88 Ų | 88 | 78.7 Ų | 78.7 | 41% | 0.411 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -88.8 | -19.6 | 178.4 | -66.9 | -178.8 | -16 | 0 | 0 | 113 | Q336 F337 V338 P342 H343 M344 | Q336-Q340 PolarHBondContact O-N 2.94Å; F337-Q340 PolarHBondContact O-N 3.49Å; V338-Q340 VanDerWaalsContact C-N 3.34Å; V338-Q340 PolarHBondContact O-N 3.15Å; Q340-P342 VanDerWaalsContact C-CD 3.42Å; Q340-P342 VanDerWaalsContact C-N 3.35Å; Q340-H343 PolarHBondContact O-N 3.36Å; Q340-M344 HydrophobicContact CB-SD 4.28Å; Q340-M344 PolarHBondContact O-N 3.09Å; Q340-M344 VanDerWaalsContact O-N 3.12Å |
| 341 | L | 92.6 | Very high | 93.6 | Very high | 48 Ų | 48 | 76.1 Ų | 76.1 | 25% | 0.251 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -50.1 | -42.4 | -176.3 | -176 | 63.9 | 0 | 0 | 0 | 114.3 | F322 F337 V338 H343 M344 Q345 | F322-L341 HydrophobicContact CE1-CD1 4.01Å; F337-L341 HydrophobicContact CE1-CD1 4.24Å; F337-L341 PolarHBondContact O-N 3.46Å; V338-L341 WeakPolarHBondContact O-CB 3.46Å; V338-L341 PolarHBondContact O-N 2.98Å; L341-H343 VanDerWaalsContact C-N 3.35Å; L341-H343 PolarHBondContact O-N 3.48Å; L341-M344 PolarHBondContact O-N 3.01Å; L341-Q345 HydrophobicContact CD1-CG 4.13Å; L341-Q345 HydrophobicContact CG-CG 4.29Å; L341-Q345 WeakPolarHBondContact O-CB 3.42Å; L341-Q345 VanDerWaalsContact O-CG 3.31Å; L341-Q345 WeakPolarHBondContact O-CG 3.49Å; L341-Q345 PolarHBondContact O-N 3.26Å |
| 342 | P | 94.3 | Very high | 94 | Very high | 80 Ų | 80 | 72.7 Ų | 72.7 | 52% | 0.519 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 178.1 | -24.1 | 35.3 | 0 | 0 | 0 | 113.3 | Q340 Q345 A346 | Q340-P342 VanDerWaalsContact C-CD 3.42Å; Q340-P342 VanDerWaalsContact C-N 3.35Å; P342-Q345 PolarHBondContact O-N 3.34Å; P342-A346 WeakPolarHBondContact O-CB 3.39Å; P342-A346 PolarHBondContact O-N 3.11Å |
| 343 | H | 93.1 | Very high | 94.2 | Very high | 124 Ų | 124 | 72 Ų | 72 | 57% | 0.574 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -67.4 | -43.1 | 177.5 | 176 | 73.9 | 0 | 0 | 0 | 111 | Q340 L341 Q345 A346 A347 | Q340-H343 PolarHBondContact O-N 3.36Å; L341-H343 VanDerWaalsContact C-N 3.35Å; L341-H343 PolarHBondContact O-N 3.48Å; H343-Q345 VanDerWaalsContact C-N 3.34Å; H343-Q345 PolarHBondContact O-N 2.89Å; H343-A346 PolarHBondContact O-N 3.43Å; H343-A347 WeakPolarHBondContact O-CB 3.32Å; H343-A347 PolarHBondContact O-N 2.95Å |
| 344 | M | 93.7 | Very high | 94.6 | Very high | 17 Ų | 17 | 68.1 Ų | 68.1 | 8% | 0.084 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.3 | -38.8 | 176.1 | -63 | 169.2 | 62.4 | 0 | 0 | 112.5 | A321 F322 F337 Q340 L341 A347 R348 | A321-M344 HydrophobicContact CB-CE 3.81Å; A321-M344 WeakPolarHBondContact O-CE 3.37Å; F322-M344 HydrophobicContact CB-CE 4.27Å; F322-M344 HydrophobicContact CD1-CE 4.02Å; F322-M344 HydrophobicContact CD2-CE 3.79Å; F322-M344 HydrophobicContact CE1-CE 4.29Å; F322-M344 HydrophobicContact CE2-CB 3.84Å; F322-M344 HydrophobicContact CE2-CE 4.06Å; F322-M344 HydrophobicContact CG-CE 3.76Å; F322-M344 HydrophobicContact CZ-CB 3.8Å; F322-M344 HydrophobicContact CZ-CE 4.31Å; F337-M344 HydrophobicContact CE2-CE 3.95Å; F337-M344 HydrophobicContact CE2-SD 4.14Å; F337-M344 HydrophobicContact CZ-CE 4.1Å; F337-M344 HydrophobicContact CZ-SD 4.38Å; Q340-M344 HydrophobicContact CB-SD 4.28Å; Q340-M344 PolarHBondContact O-N 3.09Å; Q340-M344 VanDerWaalsContact O-N 3.12Å; L341-M344 PolarHBondContact O-N 3.01Å; M344-A347 PolarHBondContact O-N 3.46Å; M344-R348 WeakPolarHBondContact O-CB 3.39Å; M344-R348 PolarHBondContact O-N 2.9Å |
| 345 | Q | 95.3 | Very high | 94.9 | Very high | 113 Ų | 113 | 66.7 Ų | 66.7 | 53% | 0.528 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.7 | -43 | 174.9 | -76 | 177.2 | -18.3 | 0 | 0 | 111.8 | F322 L341 P342 H343 R348 G349 | F322-Q345 HydrophobicContact CZ-CG 4.44Å; L341-Q345 HydrophobicContact CD1-CG 4.13Å; L341-Q345 HydrophobicContact CG-CG 4.29Å; L341-Q345 WeakPolarHBondContact O-CB 3.42Å; L341-Q345 VanDerWaalsContact O-CG 3.31Å; L341-Q345 WeakPolarHBondContact O-CG 3.49Å; L341-Q345 PolarHBondContact O-N 3.26Å; P342-Q345 PolarHBondContact O-N 3.34Å; H343-Q345 VanDerWaalsContact C-N 3.34Å; H343-Q345 PolarHBondContact O-N 2.89Å; Q345-R348 PolarHBondContact O-N 2.82Å; Q345-G349 PolarHBondContact O-N 3.32Å |
| 346 | A | 94.2 | Very high | 95.2 | Very high | 63 Ų | 63 | 59.6 Ų | 59.6 | 52% | 0.521 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | P342 H343 R348 G349 S350 | P342-A346 WeakPolarHBondContact O-CB 3.39Å; P342-A346 PolarHBondContact O-N 3.11Å; H343-A346 PolarHBondContact O-N 3.43Å; A346-R348 PolarHBondContact O-N 2.84Å; A346-G349 PolarHBondContact O-N 3.45Å; A346-S350 WeakPolarHBondContact O-CB 3.41Å; A346-S350 PolarHBondContact O-N 3.21Å |
| 347 | A | 95.7 | Very high | 95.5 | Very high | 29 Ų | 29 | 53.8 Ų | 53.8 | 24% | 0.24 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.8 | -40 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I318 H343 M344 S350 L351 | I318-A347 HydrophobicContact CD1-CB 4.06Å; I318-A347 HydrophobicContact CG1-CB 4.38Å; H343-A347 WeakPolarHBondContact O-CB 3.32Å; H343-A347 PolarHBondContact O-N 2.95Å; M344-A347 PolarHBondContact O-N 3.46Å; A347-S350 WeakPolarHBondContact O-CB 3.49Å; A347-S350 PolarHBondContact O-N 3.43Å; A347-L351 WeakPolarHBondContact O-CB 3.41Å; A347-L351 PolarHBondContact O-N 3.1Å |
| 348 | R | 96.2 | Very high | 95.8 | Very high | 155 Ų | 155 | 53.5 Ų | 53.5 | 59% | 0.585 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -65.4 | -41.9 | 174.5 | -176 | 177.1 | 177.6 | 169.7 | 0.8 | 112.2 | I318 F322 M344 Q345 A346 A352 | I318-R348 HydrophobicContact CG2-CB 4.19Å; F322-R348 HydrophobicContact CE2-CB 4.13Å; F322-R348 HydrophobicContact CZ-CB 4.44Å; M344-R348 WeakPolarHBondContact O-CB 3.39Å; M344-R348 PolarHBondContact O-N 2.9Å; Q345-R348 PolarHBondContact O-N 2.82Å; A346-R348 PolarHBondContact O-N 2.84Å; R348-A352 WeakPolarHBondContact O-CB 3.39Å; R348-A352 PolarHBondContact O-N 3.23Å |
| 349 | G | 96.1 | Very high | 96.1 | Very high | 34 Ų | 34 | 53.6 Ų | 53.6 | 35% | 0.351 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.8 | -43 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q345 A346 A352 N353 | Q345-G349 PolarHBondContact O-N 3.32Å; A346-G349 PolarHBondContact O-N 3.45Å; G349-A352 PolarHBondContact O-N 2.97Å; G349-N353 PolarHBondContact O-N 3Å; G349-N353 PolarHBondContact O-ND2 3.4Å |
| 350 | S | 96.9 | Very high | 96.3 | Very high | 10 Ų | 10 | 50 Ų | 50 | 7% | 0.07 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.1 | -53.2 | 172.6 | 177.2 | 0 | 0 | 0 | 0 | 111.8 | E293 L295 A346 A347 A352 N353 H354 | E293-S350 VanDerWaalsContact CD-OG 3.27Å; E293-S350 WeakPolarHBondContact CG-OG 3.2Å; E293-S350 VanDerWaalsContact OE1-CA 3.27Å; E293-S350 WeakPolarHBondContact OE1-CA 3.35Å; E293-S350 WeakPolarHBondContact OE1-CB 3.29Å; E293-S350 PolarHBondContact OE1-OG 3.02Å; L295-S350 WeakPolarHBondContact CB-OG 3.41Å; A346-S350 WeakPolarHBondContact O-CB 3.41Å; A346-S350 PolarHBondContact O-N 3.21Å; A347-S350 WeakPolarHBondContact O-CB 3.49Å; A347-S350 PolarHBondContact O-N 3.43Å; S350-A352 VanDerWaalsContact C-N 3.3Å; S350-A352 PolarHBondContact O-N 3.28Å; S350-N353 PolarHBondContact O-N 3.41Å; S350-H354 PolarHBondContact O-CD2 3.19Å; S350-H354 VanDerWaalsContact O-CD2 3.27Å; S350-H354 PolarHBondContact O-N 3.48Å |
| 351 | L | 98 | Very high | 96.5 | Very high | 19 Ų | 19 | 45.8 Ų | 45.8 | 10% | 0.099 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.8 | -42.4 | 177.5 | 178.9 | 68.3 | 0 | 0 | 0 | 112.1 | L295 L311 K314 A315 I318 A347 T355 | L295-L351 HydrophobicContact CD2-CB 4.15Å; L295-L351 HydrophobicContact CD2-CD1 4.06Å; L311-L351 HydrophobicContact CB-CD1 4.39Å; L311-L351 HydrophobicContact CD2-CD1 3.99Å; K314-L351 HydrophobicContact CB-CD1 4.28Å; A315-L351 VanDerWaalsContact CA-CD2 3.46Å; A315-L351 HydrophobicContact CB-CD2 3.72Å; I318-L351 HydrophobicContact CD1-CB 4.03Å; I318-L351 HydrophobicContact CD1-CD2 3.9Å; A347-L351 WeakPolarHBondContact O-CB 3.41Å; A347-L351 PolarHBondContact O-N 3.1Å; L351-T355 VanDerWaalsContact O-CB 3.3Å; L351-T355 WeakPolarHBondContact O-CB 3.44Å; L351-T355 PolarHBondContact O-N 3.46Å; L351-T355 PolarHBondContact O-OG1 3.31Å |
| 352 | A | 97.1 | Very high | 96.8 | Very high | 54 Ų | 54 | 49.4 Ų | 49.4 | 45% | 0.446 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R348 G349 S350 H354 T355 S356 | R348-A352 WeakPolarHBondContact O-CB 3.39Å; R348-A352 PolarHBondContact O-N 3.23Å; G349-A352 PolarHBondContact O-N 2.97Å; S350-A352 VanDerWaalsContact C-N 3.3Å; S350-A352 PolarHBondContact O-N 3.28Å; A352-H354 PolarHBondContact O-N 3.46Å; A352-T355 PolarHBondContact O-N 3.14Å; A352-S356 PolarHBondContact O-N 3.03Å; A352-S356 PolarHBondContact O-OG 2.98Å |
| 353 | N | 97.6 | Very high | 97 | Very high | 35 Ų | 35 | 50.1 Ų | 50.1 | 19% | 0.187 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.9 | -49.5 | 177.8 | -68.2 | -32 | 0 | 0 | 0 | 111.6 | F268 L287 G349 S350 T355 S356 I357 | F268-N353 HydrophobicContact CE1-CB 4.29Å; L287-N353 HydrophobicContact CD1-CB 4.06Å; G349-N353 PolarHBondContact O-N 3Å; G349-N353 PolarHBondContact O-ND2 3.4Å; S350-N353 PolarHBondContact O-N 3.41Å; N353-T355 VanDerWaalsContact C-N 3.33Å; N353-T355 PolarHBondContact O-N 3.45Å; N353-S356 PolarHBondContact O-N 3.04Å; N353-I357 WeakPolarHBondContact O-CG1 3.25Å; N353-I357 PolarHBondContact O-N 2.86Å |
| 354 | H | 98.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.5 | -27.8 | -178.1 | -74 | -61.8 | 0 | 0 | 0 | 113.7 | Y246 E293 L295 Y296 I299 L311 S350 A352 A358 | Y246-H354 AromaticContact CE1-ND1 3.72Å; Y246-H354 AromaticContact CZ-ND1 3.65Å; Y246-H354 PolarHBondContact OH-ND1 2.88Å; E293-H354 VanDerWaalsContact CD-NE2 3.3Å; E293-H354 IonicContact OE1-CD2 2.86Å; E293-H354 IonicContact OE1-NE2 3.6Å; E293-H354 PolarHBondContact OE1-NE2 3.35Å; E293-H354 IonicContact OE2-CE1 3.66Å; E293-H354 IonicContact OE2-NE2 3.63Å; E293-H354 PolarHBondContact OE2-NE2 3.41Å; E293-H354 VanDerWaalsContact OE2-NE2 3.15Å; L295-H354 HydrophobicContact CD2-CB 4.16Å; Y296-H354 AromaticContact CD2-CE1 3.41Å; Y296-H354 VanDerWaalsContact CD2-CE1 3.41Å; Y296-H354 WeakPolarHBondContact CD2-CE1 3.33Å; I299-H354 HydrophobicContact CD1-CB 4.04Å; L311-H354 HydrophobicContact CD2-CB 4.08Å; S350-H354 PolarHBondContact O-CD2 3.19Å; S350-H354 VanDerWaalsContact O-CD2 3.27Å; S350-H354 PolarHBondContact O-N 3.48Å; A352-H354 PolarHBondContact O-N 3.46Å; H354-A358 VanDerWaalsContact O-CB 3.31Å; H354-A358 WeakPolarHBondContact O-CB 3.32Å; H354-A358 PolarHBondContact O-N 3.18Å |
| 355 | T | 98.2 | Very high | 97.4 | Very high | 51 Ų | 51 | 47.1 Ų | 47.1 | 31% | 0.313 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65 | -47.9 | 169.7 | -57 | 0 | 0 | 0 | 0 | 110.3 | L351 A352 N353 I357 A358 E359 | L351-T355 VanDerWaalsContact O-CB 3.3Å; L351-T355 WeakPolarHBondContact O-CB 3.44Å; L351-T355 PolarHBondContact O-N 3.46Å; L351-T355 PolarHBondContact O-OG1 3.31Å; A352-T355 PolarHBondContact O-N 3.14Å; N353-T355 VanDerWaalsContact C-N 3.33Å; N353-T355 PolarHBondContact O-N 3.45Å; T355-I357 PolarHBondContact O-N 3.19Å; T355-A358 PolarHBondContact O-N 3.14Å; T355-E359 WeakPolarHBondContact O-CG 3.34Å; T355-E359 PolarHBondContact O-N 3.49Å |
| 356 | S | 98.1 | Very high | 97.5 | Very high | 16 Ų | 16 | 46.3 Ų | 46.3 | 11% | 0.112 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.8 | -40.4 | 177 | -60.2 | 0 | 0 | 0 | 0 | 112.6 | K267 A352 N353 E359 L360 | K267-S356 WeakPolarHBondContact O-CB 3.31Å; K267-S356 PolarHBondContact O-OG 2.96Å; A352-S356 PolarHBondContact O-N 3.03Å; A352-S356 PolarHBondContact O-OG 2.98Å; N353-S356 PolarHBondContact O-N 3.04Å; S356-E359 PolarHBondContact O-N 3.06Å; S356-L360 WeakPolarHBondContact O-CG 3.21Å; S356-L360 PolarHBondContact O-N 2.96Å |
| 357 | I | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 174 | -64.3 | 166.2 | 0 | 0 | 0 | 110.7 | Y246 I250 L263 F268 L287 N353 T355 E359 L360 I361 | Y246-I357 HydrophobicContact CE2-CG2 4.11Å; Y246-I357 WeakPolarHBondContact OH-CB 3.49Å; Y246-I357 WeakPolarHBondContact OH-CG2 3.15Å; I250-I357 HydrophobicContact CD1-CG2 3.84Å; I250-I357 HydrophobicContact CG1-CG2 3.79Å; L263-I357 HydrophobicContact CD1-CD1 3.95Å; L263-I357 HydrophobicContact CD1-CG1 3.66Å; F268-I357 HydrophobicContact CE1-CG1 4.19Å; F268-I357 HydrophobicContact CZ-CG1 3.79Å; L287-I357 HydrophobicContact CD1-CD1 3.87Å; N353-I357 WeakPolarHBondContact O-CG1 3.25Å; N353-I357 PolarHBondContact O-N 2.86Å; T355-I357 PolarHBondContact O-N 3.19Å; I357-E359 VanDerWaalsContact C-N 3.27Å; I357-E359 PolarHBondContact O-N 3.45Å; I357-L360 WeakPolarHBondContact O-CB 3.37Å; I357-L360 PolarHBondContact O-N 3.44Å; I357-I361 HydrophobicContact CG2-CD1 3.78Å; I357-I361 HydrophobicContact CG2-CG1 4.22Å; I357-I361 WeakPolarHBondContact O-CG1 3.25Å; I357-I361 PolarHBondContact O-N 3.2Å |
| 358 | A | 98.5 | Very high | 97.7 | Very high | 14 Ų | 14 | 51.3 Ų | 51.3 | 12% | 0.116 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61 | -37.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y246 F304 L311 H354 T355 I361 K362 | Y246-A358 HydrophobicContact CE2-CB 4.5Å; F304-A358 HydrophobicContact CE2-CB 4.17Å; F304-A358 HydrophobicContact CZ-CB 4.37Å; F304-A358 WeakPolarHBondContact CZ-O 3.46Å; L311-A358 HydrophobicContact CD1-CB 3.86Å; H354-A358 VanDerWaalsContact O-CB 3.31Å; H354-A358 WeakPolarHBondContact O-CB 3.32Å; H354-A358 PolarHBondContact O-N 3.18Å; T355-A358 PolarHBondContact O-N 3.14Å; A358-I361 PolarHBondContact O-N 2.48Å; A358-K362 VanDerWaalsContact O-CB 3.24Å; A358-K362 WeakPolarHBondContact O-CB 3.43Å; A358-K362 PolarHBondContact O-N 3.06Å |
| 359 | E | 98.1 | Very high | 97.7 | Very high | 88 Ų | 88 | 47.4 Ų | 47.4 | 41% | 0.411 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 172.1 | -70.2 | 177 | 175.6 | 0 | 0 | 112.1 | K267 T355 S356 I357 K362 D363 | K267-E359 HydrophobicContact CD-CB 3.92Å; K267-E359 PolarHBondContact NZ-O 3.35Å; T355-E359 WeakPolarHBondContact O-CG 3.34Å; T355-E359 PolarHBondContact O-N 3.49Å; S356-E359 PolarHBondContact O-N 3.06Å; I357-E359 VanDerWaalsContact C-N 3.27Å; I357-E359 PolarHBondContact O-N 3.45Å; E359-K362 PolarHBondContact O-N 3.31Å; E359-D363 VanDerWaalsContact O-CG 3.29Å; E359-D363 PolarHBondContact O-N 3.07Å; E359-D363 VanDerWaalsContact O-N 3.16Å |
| 360 | L | 98.2 | Very high | 97.8 | Very high | 11 Ų | 11 | 46.8 Ų | 46.8 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 175.3 | -78.2 | 177.2 | 0 | 0 | 0 | 112.5 | Y254 L263 P264 K267 F268 S356 I357 | Y254-L360 HydrophobicContact CE2-CB 4.25Å; Y254-L360 WeakPolarHBondContact OH-CB 3.4Å; L263-L360 HydrophobicContact CB-CD1 4.3Å; L263-L360 HydrophobicContact CD2-CD1 4.1Å; P264-L360 HydrophobicContact CG-CD2 4.43Å; K267-L360 HydrophobicContact CD-CD2 3.78Å; K267-L360 HydrophobicContact CD-CG 3.9Å; K267-L360 HydrophobicContact CG-CD2 4.03Å; K267-L360 HydrophobicContact CG-CG 4.35Å; F268-L360 HydrophobicContact CE2-CD1 3.85Å; F268-L360 HydrophobicContact CZ-CD1 4.26Å; S356-L360 WeakPolarHBondContact O-CG 3.21Å; S356-L360 PolarHBondContact O-N 2.96Å; I357-L360 WeakPolarHBondContact O-CB 3.37Å; I357-L360 PolarHBondContact O-N 3.44Å |
| 361 | I | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65 | -45.2 | 176.4 | -65.4 | 168.6 | 0 | 0 | 0 | 109.7 | Y246 L249 I250 I253 F304 I357 A358 D363 V364 T365 | Y246-I361 HydrophobicContact CD2-CD1 3.94Å; Y246-I361 HydrophobicContact CE2-CD1 3.8Å; L249-I361 HydrophobicContact CB-CD1 4.31Å; L249-I361 HydrophobicContact CB-CG2 3.91Å; L249-I361 HydrophobicContact CD1-CG2 3.67Å; L249-I361 HydrophobicContact CG-CG2 4.34Å; I250-I361 HydrophobicContact CG1-CD1 3.79Å; I253-I361 HydrophobicContact CD1-CB 4.4Å; I253-I361 HydrophobicContact CD1-CG1 4.28Å; I253-I361 HydrophobicContact CD1-CG2 4.18Å; F304-I361 HydrophobicContact CD1-CG2 3.99Å; F304-I361 HydrophobicContact CD2-CB 4.49Å; F304-I361 HydrophobicContact CD2-CD1 4.31Å; F304-I361 HydrophobicContact CD2-CG2 3.86Å; F304-I361 HydrophobicContact CE1-CB 4.31Å; F304-I361 HydrophobicContact CE1-CG2 3.68Å; F304-I361 HydrophobicContact CE2-CB 3.76Å; F304-I361 HydrophobicContact CE2-CD1 3.91Å; F304-I361 HydrophobicContact CE2-CG1 4.46Å; F304-I361 HydrophobicContact CE2-CG2 3.56Å; F304-I361 HydrophobicContact CG-CG2 4.08Å; F304-I361 HydrophobicContact CZ-CB 3.66Å; F304-I361 HydrophobicContact CZ-CG2 3.47Å; F304-I361 VanDerWaalsContact CZ-CG2 3.47Å; I357-I361 HydrophobicContact CG2-CD1 3.78Å; I357-I361 HydrophobicContact CG2-CG1 4.22Å; I357-I361 WeakPolarHBondContact O-CG1 3.25Å; I357-I361 PolarHBondContact O-N 3.2Å; A358-I361 PolarHBondContact O-N 2.48Å; I361-D363 VanDerWaalsContact C-N 3.29Å; I361-D363 PolarHBondContact O-N 3.29Å; I361-V364 PolarHBondContact O-N 3.29Å; I361-T365 HydrophobicContact CG2-CG2 3.72Å; I361-T365 WeakPolarHBondContact O-CG2 3.48Å; I361-T365 PolarHBondContact O-N 3.4Å; I361-T365 PolarHBondContact O-OG1 3.37Å |
| 362 | K | 98.2 | Very high | 97.9 | Very high | 123 Ų | 123 | 54.5 Ų | 54.5 | 54% | 0.535 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.7 | -39.1 | -179.1 | -173.8 | 178.4 | 179 | -178.1 | 0 | 112.7 | F304 A358 E359 V364 T365 T366 | F304-K362 HydrophobicContact CE1-CB 4.33Å; F304-K362 HydrophobicContact CZ-CB 4.33Å; A358-K362 VanDerWaalsContact O-CB 3.24Å; A358-K362 WeakPolarHBondContact O-CB 3.43Å; A358-K362 PolarHBondContact O-N 3.06Å; E359-K362 PolarHBondContact O-N 3.31Å; K362-V364 PolarHBondContact O-N 3.11Å; K362-T365 PolarHBondContact O-N 3.3Å; K362-T366 HydrophobicContact CG-CG2 3.82Å; K362-T366 WeakPolarHBondContact O-CB 3.42Å; K362-T366 WeakPolarHBondContact O-CG2 3.46Å; K362-T366 PolarHBondContact O-N 2.78Å; K362-T366 PolarHBondContact O-OG1 2.69Å |
| 363 | D | 97.7 | Very high | 97.9 | Very high | 95 Ų | 95 | 53.3 Ų | 53.3 | 51% | 0.508 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.6 | -35.8 | 176.6 | -68.6 | -5.8 | 0 | 0 | 0 | 111.7 | K267 E359 I361 | K267-D363 WeakPolarHBondContact CE-OD2 3.34Å; K267-D363 IonicContact NZ-OD1 2.76Å; K267-D363 PolarHBondContact NZ-OD1 2.86Å; K267-D363 IonicContact NZ-OD2 3.48Å; K267-D363 PolarHBondContact NZ-OD2 2.94Å; E359-D363 VanDerWaalsContact O-CG 3.29Å; E359-D363 PolarHBondContact O-N 3.07Å; E359-D363 VanDerWaalsContact O-N 3.16Å; I361-D363 VanDerWaalsContact C-N 3.29Å; I361-D363 PolarHBondContact O-N 3.29Å |
| 364 | V | 98 | Very high | 98 | Very high | 48 Ų | 48 | 52.8 Ų | 52.8 | 29% | 0.291 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -80.2 | -49.9 | 176.9 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | I253 I361 K362 T366 S367 F370 | I253-V364 HydrophobicContact CD1-CB 3.89Å; I253-V364 HydrophobicContact CD1-CG1 4.07Å; I253-V364 HydrophobicContact CD1-CG2 4.08Å; I253-V364 HydrophobicContact CG1-CG1 4.25Å; I253-V364 HydrophobicContact CG2-CG2 4.01Å; I361-V364 PolarHBondContact O-N 3.29Å; K362-V364 PolarHBondContact O-N 3.11Å; V364-T366 PolarHBondContact O-N 2.84Å; V364-S367 WeakPolarHBondContact O-CB 3.41Å; V364-S367 PolarHBondContact O-N 3.4Å; V364-S367 PolarHBondContact O-OG 3.27Å; V364-F370 HydrophobicContact CG1-CD2 4.06Å; V364-F370 WeakPolarHBondContact O-CB 3.35Å |
| 365 | T | 98.1 | Very high | 98 | Very high | 31 Ų | 31 | 54.7 Ų | 54.7 | 19% | 0.19 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -72.5 | -11.7 | -172 | 64.4 | 0 | 0 | 0 | 0 | 114.2 | L249 I361 K362 F370 | L249-T365 HydrophobicContact CD1-CG2 4.04Å; L249-T365 HydrophobicContact CD2-CG2 4.09Å; I361-T365 HydrophobicContact CG2-CG2 3.72Å; I361-T365 WeakPolarHBondContact O-CG2 3.48Å; I361-T365 PolarHBondContact O-N 3.4Å; I361-T365 PolarHBondContact O-OG1 3.37Å; K362-T365 PolarHBondContact O-N 3.3Å; T365-F370 HydrophobicContact CG2-CD1 4.49Å; T365-F370 HydrophobicContact CG2-CE1 4.03Å; T365-F370 HydrophobicContact CG2-CE2 4.12Å; T365-F370 HydrophobicContact CG2-CZ 3.84Å |
| 366 | T | 97.5 | Very high | 98 | Very high | 96 Ų | 96 | 52.8 Ų | 52.8 | 59% | 0.589 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 0.1 | 173.5 | 58.7 | 0 | 0 | 0 | 0 | 113.2 | K362 V364 | K362-T366 HydrophobicContact CG-CG2 3.82Å; K362-T366 WeakPolarHBondContact O-CB 3.42Å; K362-T366 WeakPolarHBondContact O-CG2 3.46Å; K362-T366 PolarHBondContact O-N 2.78Å; K362-T366 PolarHBondContact O-OG1 2.69Å; V364-T366 PolarHBondContact O-N 2.84Å |
| 367 | S | 97.9 | Very high | 98 | Very high | 42 Ų | 42 | 52.1 Ų | 52.1 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -74.7 | 149.1 | 174.6 | 71.7 | 0 | 0 | 0 | 0 | 111.7 | V364 D369 F370 F371 | V364-S367 WeakPolarHBondContact O-CB 3.41Å; V364-S367 PolarHBondContact O-N 3.4Å; V364-S367 PolarHBondContact O-OG 3.27Å; S367-D369 VanDerWaalsContact C-N 3.32Å; S367-D369 PolarHBondContact O-N 3.15Å; S367-F370 PolarHBondContact O-N 3.15Å; S367-F370 WeakPolarHBondContact OG-CB 3.44Å; S367-F370 PolarHBondContact OG-N 3.39Å; S367-F371 PolarHBondContact O-N 2.96Å; S367-F371 VanDerWaalsContact O-N 3.16Å |
| 368 | E | 97.2 | Very high | 98 | Very high | 155 Ų | 155 | 54.4 Ų | 54.4 | 72% | 0.724 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -59.3 | -42.8 | 173.8 | -173.3 | 174.4 | -167.6 | 0 | 0 | 111.1 | F370 F371 D372 | E368-F370 VanDerWaalsContact C-N 3.32Å; E368-F370 PolarHBondContact O-N 3.08Å; E368-F371 PolarHBondContact O-N 3.25Å; E368-F371 VanDerWaalsContact O-N 3.1Å; E368-D372 PolarHBondContact O-N 2.96Å |
| 369 | D | 96.1 | Very high | 97.9 | Very high | 72 Ų | 72 | 56.9 Ų | 56.9 | 39% | 0.385 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.6 | -42.6 | 178.8 | -171.4 | 69.1 | 0 | 0 | 0 | 113 | S367 K373 Y392 H401 K405 | S367-D369 VanDerWaalsContact C-N 3.32Å; S367-D369 PolarHBondContact O-N 3.15Å; D369-K373 VanDerWaalsContact O-CB 3.31Å; D369-K373 WeakPolarHBondContact O-CB 3.35Å; D369-K373 PolarHBondContact O-N 3.33Å; D369-Y392 PolarHBondContact O-OH 2.98Å; D369-H401 IonicContact OD1-CE1 3.27Å; D369-H401 PolarHBondContact OD1-CE1 3.47Å; D369-H401 IonicContact OD1-ND1 2.78Å; D369-K405 IonicContact OD1-NZ 2.93Å; D369-K405 PolarHBondContact OD1-NZ 3.43Å; D369-K405 IonicContact OD2-NZ 3.55Å; D369-K405 PolarHBondContact OD2-NZ 2.96Å |
| 370 | F | 98 | Very high | 97.9 | Very high | 22 Ų | 22 | 52.7 Ų | 52.7 | 10% | 0.096 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.7 | -44.4 | 176.9 | -178.6 | -87.9 | 0 | 0 | 0 | 111.4 | T242 L244 L249 V364 T365 S367 E368 L374 | T242-F370 HydrophobicContact CG2-CE2 3.86Å; T242-F370 HydrophobicContact CG2-CZ 4.06Å; L244-F370 HydrophobicContact CD2-CZ 3.97Å; L249-F370 HydrophobicContact CD2-CE2 4.18Å; L249-F370 HydrophobicContact CD2-CZ 4.09Å; V364-F370 HydrophobicContact CG1-CD2 4.06Å; V364-F370 WeakPolarHBondContact O-CB 3.35Å; T365-F370 HydrophobicContact CG2-CD1 4.49Å; T365-F370 HydrophobicContact CG2-CE1 4.03Å; T365-F370 HydrophobicContact CG2-CE2 4.12Å; T365-F370 HydrophobicContact CG2-CZ 3.84Å; S367-F370 PolarHBondContact O-N 3.15Å; S367-F370 WeakPolarHBondContact OG-CB 3.44Å; S367-F370 PolarHBondContact OG-N 3.39Å; E368-F370 VanDerWaalsContact C-N 3.32Å; E368-F370 PolarHBondContact O-N 3.08Å; F370-L374 HydrophobicContact CE1-CD2 3.87Å; F370-L374 HydrophobicContact CZ-CD2 4.45Å; F370-L374 VanDerWaalsContact O-CB 3.29Å; F370-L374 WeakPolarHBondContact O-CB 2.76Å; F370-L374 PolarHBondContact O-N 3.28Å |
| 371 | F | 97.6 | Very high | 97.9 | Very high | 131 Ų | 131 | 52.3 Ų | 52.3 | 58% | 0.575 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -64.8 | -46.3 | -177.7 | -177.4 | -94.3 | 0 | 0 | 0 | 112.4 | S367 E368 L374 T375 | S367-F371 PolarHBondContact O-N 2.96Å; S367-F371 VanDerWaalsContact O-N 3.16Å; E368-F371 PolarHBondContact O-N 3.25Å; E368-F371 VanDerWaalsContact O-N 3.1Å; F371-L374 PolarHBondContact O-N 3.25Å; F371-T375 WeakPolarHBondContact O-CB 3.49Å; F371-T375 PolarHBondContact O-N 3.32Å; F371-T375 PolarHBondContact O-OG1 3.43Å |
| 372 | D | 98.2 | Very high | 97.8 | Very high | 60 Ų | 60 | 53 Ų | 53 | 32% | 0.321 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.9 | -45 | 179.3 | -69.2 | -14.1 | 0 | 0 | 0 | 111 | E368 L374 T375 V376 Y392 | E368-D372 PolarHBondContact O-N 2.96Å; D372-L374 PolarHBondContact O-N 2.8Å; D372-T375 PolarHBondContact O-N 2.89Å; D372-V376 WeakPolarHBondContact O-CG2 3.41Å; D372-V376 PolarHBondContact O-N 3.39Å; D372-V376 VanDerWaalsContact O-N 3.13Å; D372-Y392 HydrophobicContact CB-CD2 4.12Å; D372-Y392 HydrophobicContact CB-CE2 3.54Å |
| 373 | K | 98.2 | Very high | 97.6 | Very high | 28 Ų | 28 | 48.9 Ų | 48.9 | 12% | 0.122 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.2 | -49.9 | 175.5 | -168.1 | -162.8 | 71.4 | 158.3 | 0 | 111 | T242 D369 T375 V376 E377 Y392 K405 L409 | T242-K373 VanDerWaalsContact OG1-CE 3.23Å; T242-K373 WeakPolarHBondContact OG1-CE 3.38Å; T242-K373 PolarHBondContact OG1-NZ 3.48Å; D369-K373 VanDerWaalsContact O-CB 3.31Å; D369-K373 WeakPolarHBondContact O-CB 3.35Å; D369-K373 PolarHBondContact O-N 3.33Å; K373-T375 VanDerWaalsContact C-N 3.3Å; K373-T375 PolarHBondContact O-N 3.44Å; K373-V376 PolarHBondContact O-N 3.5Å; K373-E377 WeakPolarHBondContact CD-OE1 3.38Å; K373-E377 WeakPolarHBondContact CE-OE1 3.43Å; K373-E377 IonicContact NZ-OE1 3.77Å; K373-E377 PolarHBondContact NZ-OE1 2.87Å; K373-E377 WeakPolarHBondContact O-CG 2.94Å; K373-E377 PolarHBondContact O-N 3.04Å; K373-Y392 HydrophobicContact CB-CE1 4.29Å; K373-Y392 WeakPolarHBondContact CB-OH 3.37Å; K373-Y392 HydrophobicContact CG-CE1 4.46Å; K373-Y392 PolarHBondContact N-OH 3.21Å; K373-K405 HydrophobicContact CD-CG 4.34Å; K373-L409 HydrophobicContact CG-CD1 4.43Å; K373-L409 HydrophobicContact CG-CD2 4.15Å |
| 374 | L | 98.2 | Very high | 97.5 | Very high | 24 Ų | 24 | 48.3 Ų | 48.3 | 13% | 0.126 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.9 | -38.6 | -177.2 | -179.5 | 61.2 | 0 | 0 | 0 | 111.7 | L244 F370 F371 D372 E377 Q378 | L244-L374 HydrophobicContact CD1-CD1 4.21Å; L244-L374 HydrophobicContact CD1-CD2 4.2Å; L244-L374 HydrophobicContact CD2-CD1 4.21Å; L244-L374 HydrophobicContact CD2-CD2 4.15Å; F370-L374 HydrophobicContact CE1-CD2 3.87Å; F370-L374 HydrophobicContact CZ-CD2 4.45Å; F370-L374 VanDerWaalsContact O-CB 3.29Å; F370-L374 WeakPolarHBondContact O-CB 2.76Å; F370-L374 PolarHBondContact O-N 3.28Å; F371-L374 PolarHBondContact O-N 3.25Å; D372-L374 PolarHBondContact O-N 2.8Å; L374-E377 PolarHBondContact O-N 3.44Å; L374-Q378 HydrophobicContact CD1-CG 4.33Å; L374-Q378 WeakPolarHBondContact O-CB 3.33Å; L374-Q378 WeakPolarHBondContact O-CG 3.14Å; L374-Q378 PolarHBondContact O-N 2.85Å |
| 375 | T | 98.1 | Very high | 97.3 | Very high | 42 Ų | 42 | 50.7 Ų | 50.7 | 26% | 0.258 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.3 | -48.8 | 177.3 | -64.4 | 0 | 0 | 0 | 0 | 110.7 | F371 D372 K373 E377 Q378 E379 | F371-T375 WeakPolarHBondContact O-CB 3.49Å; F371-T375 PolarHBondContact O-N 3.32Å; F371-T375 PolarHBondContact O-OG1 3.43Å; D372-T375 PolarHBondContact O-N 2.89Å; K373-T375 VanDerWaalsContact C-N 3.3Å; K373-T375 PolarHBondContact O-N 3.44Å; T375-E377 VanDerWaalsContact C-N 3.33Å; T375-E377 PolarHBondContact O-N 2.7Å; T375-Q378 PolarHBondContact O-N 3.17Å; T375-E379 HydrophobicContact CG2-CG 4.5Å; T375-E379 WeakPolarHBondContact O-CG 3.44Å; T375-E379 PolarHBondContact O-N 3Å |
| 376 | V | 98.5 | Very high | 97.2 | Very high | 10 Ų | 10 | 49.8 Ų | 49.8 | 6% | 0.061 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.7 | -40.7 | 176.6 | 173.2 | 0 | 0 | 0 | 0 | 111.7 | D372 K373 Q378 E379 F380 Y392 L409 | D372-V376 WeakPolarHBondContact O-CG2 3.41Å; D372-V376 PolarHBondContact O-N 3.39Å; D372-V376 VanDerWaalsContact O-N 3.13Å; K373-V376 PolarHBondContact O-N 3.5Å; V376-Q378 VanDerWaalsContact C-N 3.34Å; V376-Q378 PolarHBondContact O-N 3.25Å; V376-E379 PolarHBondContact O-N 3.36Å; V376-F380 HydrophobicContact CG1-CD2 4.02Å; V376-F380 HydrophobicContact CG1-CE1 4.34Å; V376-F380 HydrophobicContact CG1-CE2 3.41Å; V376-F380 VanDerWaalsContact CG1-CE2 3.41Å; V376-F380 HydrophobicContact CG1-CZ 3.61Å; V376-F380 WeakPolarHBondContact O-CD2 3.28Å; V376-F380 WeakPolarHBondContact O-CG 3.3Å; V376-F380 PolarHBondContact O-N 2.98Å; V376-F380 VanDerWaalsContact O-N 3.07Å; V376-Y392 HydrophobicContact CB-CD1 4.34Å; V376-Y392 HydrophobicContact CG2-CD1 3.85Å; V376-Y392 HydrophobicContact CG2-CG 3.95Å; V376-L409 HydrophobicContact CG1-CD2 4.28Å |
| 377 | E | 98.5 | Very high | 97.1 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 1% | 0.014 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.2 | -45.9 | 175.2 | -69.8 | 177.7 | -171.1 | 0 | 0 | 111.5 | T242 K373 L374 T375 F380 M381 L409 L412 | T242-E377 VanDerWaalsContact CB-OE2 3.25Å; T242-E377 WeakPolarHBondContact CB-OE2 3.35Å; T242-E377 PolarHBondContact N-OE2 3.13Å; T242-E377 VanDerWaalsContact OG1-CD 3.25Å; T242-E377 PolarHBondContact OG1-OE1 3.41Å; T242-E377 VanDerWaalsContact OG1-OE1 3.04Å; T242-E377 PolarHBondContact OG1-OE2 3.15Å; K373-E377 WeakPolarHBondContact CD-OE1 3.38Å; K373-E377 WeakPolarHBondContact CE-OE1 3.43Å; K373-E377 IonicContact NZ-OE1 3.77Å; K373-E377 PolarHBondContact NZ-OE1 2.87Å; K373-E377 WeakPolarHBondContact O-CG 2.94Å; K373-E377 PolarHBondContact O-N 3.04Å; L374-E377 PolarHBondContact O-N 3.44Å; T375-E377 VanDerWaalsContact C-N 3.33Å; T375-E377 PolarHBondContact O-N 2.7Å; E377-F380 PolarHBondContact O-N 2.97Å; E377-M381 HydrophobicContact CB-CE 4.3Å; E377-M381 WeakPolarHBondContact O-CB 3.29Å; E377-M381 WeakPolarHBondContact O-CE 3.44Å; E377-M381 VanDerWaalsContact O-CG 3.3Å; E377-M381 WeakPolarHBondContact O-CG 3.46Å; E377-M381 PolarHBondContact O-N 3.1Å; E377-L409 HydrophobicContact CG-CD2 3.74Å; E377-L412 HydrophobicContact CB-CD2 3.69Å; E377-L412 HydrophobicContact CG-CD2 3.71Å |
| 378 | Q | 97.8 | Very high | 97 | Very high | 48 Ų | 48 | 51.6 Ų | 51.6 | 22% | 0.224 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68 | -38.9 | 179.6 | -76.7 | 179.8 | -15.3 | 0 | 0 | 113.2 | L374 T375 V376 M381 S382 W473 | L374-Q378 HydrophobicContact CD1-CG 4.33Å; L374-Q378 WeakPolarHBondContact O-CB 3.33Å; L374-Q378 WeakPolarHBondContact O-CG 3.14Å; L374-Q378 PolarHBondContact O-N 2.85Å; T375-Q378 PolarHBondContact O-N 3.17Å; V376-Q378 VanDerWaalsContact C-N 3.34Å; V376-Q378 PolarHBondContact O-N 3.25Å; Q378-M381 HydrophobicContact CG-CE 4.1Å; Q378-M381 PolarHBondContact O-N 3.23Å; Q378-S382 WeakPolarHBondContact O-CB 2.98Å; Q378-S382 PolarHBondContact O-N 3.16Å; Q378-S382 PolarHBondContact O-OG 3.11Å; Q378-S382 VanDerWaalsContact O-OG 3.08Å; Q378-W473 HydrophobicContact CB-CH2 3.85Å; Q378-W473 HydrophobicContact CG-CH2 4.09Å |
| 379 | E | 97.8 | Very high | 97.1 | Very high | 66 Ų | 66 | 46.1 Ų | 46.1 | 31% | 0.308 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59 | -48.8 | 172.5 | -74.8 | 175.1 | 164.5 | 0 | 0 | 111 | T375 V376 M381 S382 G383 I384 | T375-E379 HydrophobicContact CG2-CG 4.5Å; T375-E379 WeakPolarHBondContact O-CG 3.44Å; T375-E379 PolarHBondContact O-N 3Å; V376-E379 PolarHBondContact O-N 3.36Å; E379-M381 PolarHBondContact O-N 3.17Å; E379-S382 PolarHBondContact O-N 3.21Å; E379-S382 PolarHBondContact O-OG 3.07Å; E379-G383 PolarHBondContact O-N 3.06Å; E379-I384 HydrophobicContact CB-CB 4.16Å; E379-I384 HydrophobicContact CB-CG2 4.49Å; E379-I384 WeakPolarHBondContact O-CB 3.22Å; E379-I384 PolarHBondContact O-N 2.88Å |
| 380 | F | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.2 | -45.2 | 176.5 | -64.8 | -25.1 | 0 | 0 | 0 | 112.5 | V376 E377 S382 G383 T386 N390 I393 L412 Q413 C416 | V376-F380 HydrophobicContact CG1-CD2 4.02Å; V376-F380 HydrophobicContact CG1-CE1 4.34Å; V376-F380 HydrophobicContact CG1-CE2 3.41Å; V376-F380 VanDerWaalsContact CG1-CE2 3.41Å; V376-F380 HydrophobicContact CG1-CZ 3.61Å; V376-F380 WeakPolarHBondContact O-CD2 3.28Å; V376-F380 WeakPolarHBondContact O-CG 3.3Å; V376-F380 PolarHBondContact O-N 2.98Å; V376-F380 VanDerWaalsContact O-N 3.07Å; E377-F380 PolarHBondContact O-N 2.97Å; F380-S382 VanDerWaalsContact C-N 3.3Å; F380-S382 PolarHBondContact O-N 3.14Å; F380-G383 WeakPolarHBondContact O-CA 3.48Å; F380-G383 PolarHBondContact O-N 2.89Å; F380-T386 HydrophobicContact CB-CG2 4.27Å; F380-T386 HydrophobicContact CD1-CG2 3.96Å; F380-T386 HydrophobicContact CG-CG2 4.47Å; F380-N390 HydrophobicContact CE1-CB 4.41Å; F380-N390 HydrophobicContact CZ-CB 3.85Å; F380-I393 HydrophobicContact CE2-CD1 3.99Å; F380-I393 HydrophobicContact CZ-CD1 4.07Å; F380-L412 HydrophobicContact CB-CD2 4.35Å; F380-L412 HydrophobicContact CB-CG 4.41Å; F380-L412 HydrophobicContact CD2-CD2 4.2Å; F380-L412 HydrophobicContact CD2-CG 4.46Å; F380-Q413 HydrophobicContact CD1-CB 4.47Å; F380-Q413 HydrophobicContact CD1-CG 4.12Å; F380-Q413 HydrophobicContact CD2-CB 3.88Å; F380-Q413 HydrophobicContact CD2-CG 4.38Å; F380-Q413 HydrophobicContact CE1-CB 4.29Å; F380-Q413 HydrophobicContact CE1-CG 3.78Å; F380-Q413 HydrophobicContact CE2-CB 3.67Å; F380-Q413 HydrophobicContact CE2-CG 4.08Å; F380-Q413 HydrophobicContact CG-CB 4.28Å; F380-Q413 HydrophobicContact CG-CG 4.4Å; F380-Q413 HydrophobicContact CZ-CB 3.88Å; F380-Q413 HydrophobicContact CZ-CG 3.76Å; F380-C416 VanDerWaalsContact C-SG 3.53Å; F380-C416 HydrophobicContact CB-CB 4.48Å; F380-C416 WeakPolarHBondContact O-CB 3.39Å; F380-C416 PolarHBondContact O-SG 3.05Å |
| 381 | M | 97.5 | Very high | 97.2 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.2 | -34 | 178.5 | -73.2 | -172.2 | -69.8 | 0 | 0 | 112.8 | L237 A241 E377 Q378 E379 G383 L412 Y463 R467 W473 Y492 | L237-M381 HydrophobicContact CD1-CG 4.35Å; L237-M381 HydrophobicContact CD2-CG 4.34Å; L237-M381 HydrophobicContact CG-CG 4.46Å; A241-M381 HydrophobicContact CB-CE 4.04Å; A241-M381 HydrophobicContact CB-SD 3.67Å; E377-M381 HydrophobicContact CB-CE 4.3Å; E377-M381 WeakPolarHBondContact O-CB 3.29Å; E377-M381 WeakPolarHBondContact O-CE 3.44Å; E377-M381 VanDerWaalsContact O-CG 3.3Å; E377-M381 WeakPolarHBondContact O-CG 3.46Å; E377-M381 PolarHBondContact O-N 3.1Å; Q378-M381 HydrophobicContact CG-CE 4.1Å; Q378-M381 PolarHBondContact O-N 3.23Å; E379-M381 PolarHBondContact O-N 3.17Å; M381-G383 VanDerWaalsContact C-N 3.28Å; M381-L412 HydrophobicContact CG-CD1 4.37Å; M381-Y463 VanDerWaalsContact O-CE1 3.3Å; M381-Y463 WeakPolarHBondContact O-CE1 3.32Å; M381-Y463 PolarHBondContact O-OH 3.41Å; M381-R467 WeakPolarHBondContact O-CD 3.39Å; M381-W473 HydrophobicContact CB-CE3 4.26Å; M381-W473 HydrophobicContact CB-CZ3 3.88Å; M381-Y492 HydrophobicContact CB-CD2 4.46Å; M381-Y492 HydrophobicContact SD-CD1 4.05Å; M381-Y492 HydrophobicContact SD-CD2 4.24Å; M381-Y492 HydrophobicContact SD-CG 3.78Å |
| 382 | S | 96.2 | Very high | 97.2 | Very high | 16 Ų | 16 | 43.6 Ų | 43.6 | 11% | 0.112 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -76.6 | -16.9 | 173.1 | 66.6 | 0 | 0 | 0 | 0 | 112.9 | Q378 E379 F380 I384 R467 | Q378-S382 WeakPolarHBondContact O-CB 2.98Å; Q378-S382 PolarHBondContact O-N 3.16Å; Q378-S382 PolarHBondContact O-OG 3.11Å; Q378-S382 VanDerWaalsContact O-OG 3.08Å; E379-S382 PolarHBondContact O-N 3.21Å; E379-S382 PolarHBondContact O-OG 3.07Å; F380-S382 VanDerWaalsContact C-N 3.3Å; F380-S382 PolarHBondContact O-N 3.14Å; S382-I384 WeakPolarHBondContact OG-CD1 3.36Å; S382-I384 WeakPolarHBondContact OG-CG1 3.43Å; S382-R467 PolarHBondContact O-NE 3.13Å; S382-R467 VanDerWaalsContact O-NE 3.16Å; S382-R467 PolarHBondContact O-NH2 3.2Å |
| 383 | G | 94.9 | Very high | 97.3 | Very high | 35 Ų | 35 | 40.7 Ų | 40.7 | 36% | 0.361 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97.5 | 22.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | E379 F380 M381 | E379-G383 PolarHBondContact O-N 3.06Å; F380-G383 WeakPolarHBondContact O-CA 3.48Å; F380-G383 PolarHBondContact O-N 2.89Å; M381-G383 VanDerWaalsContact C-N 3.28Å |
| 384 | I | 96 | Very high | 97.3 | Very high | 83 Ų | 83 | 42.4 Ų | 42.4 | 43% | 0.426 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -90.4 | 136.3 | 179.5 | -60 | 171.9 | 0 | 0 | 0 | 109.5 | E379 S382 T386 | E379-I384 HydrophobicContact CB-CB 4.16Å; E379-I384 HydrophobicContact CB-CG2 4.49Å; E379-I384 WeakPolarHBondContact O-CB 3.22Å; E379-I384 PolarHBondContact O-N 2.88Å; S382-I384 WeakPolarHBondContact OG-CD1 3.36Å; S382-I384 WeakPolarHBondContact OG-CG1 3.43Å; I384-T386 VanDerWaalsContact C-N 3.25Å; I384-T386 WeakPolarHBondContact O-CG2 3.41Å; I384-T386 PolarHBondContact O-N 3.03Å |
| 385 | D | 93.7 | Very high | 97.3 | Very high | 99 Ų | 99 | 45 Ų | 45 | 53% | 0.529 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 46.9 | 38.7 | 172.7 | -67.9 | -32.2 | 0 | 0 | 0 | 116.3 | Q413 | D385-Q413 PolarHBondContact O-NE2 2.95Š|
| 386 | T | 95.3 | Very high | 97.3 | Very high | 11 Ų | 11 | 43.1 Ų | 43.1 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -5.4 | -177.8 | 61.2 | 0 | 0 | 0 | 0 | 114.6 | F380 I384 C416 N417 | F380-T386 HydrophobicContact CB-CG2 4.27Å; F380-T386 HydrophobicContact CD1-CG2 3.96Å; F380-T386 HydrophobicContact CG-CG2 4.47Å; I384-T386 VanDerWaalsContact C-N 3.25Å; I384-T386 WeakPolarHBondContact O-CG2 3.41Å; I384-T386 PolarHBondContact O-N 3.03Å; T386-C416 HydrophobicContact CG2-CB 3.91Å; T386-N417 PolarHBondContact OG1-OD1 2.93Å |
| 387 | D | 94.6 | Very high | 97.3 | Very high | 51 Ų | 51 | 42.9 Ų | 42.9 | 27% | 0.273 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 1.8 | -168.2 | 84.2 | -49.6 | 0 | 0 | 0 | 115.7 | K421 | D387-K421 IonicContact OD2-NZ 3.56Å; D387-K421 PolarHBondContact OD2-NZ 2.63Å |
| 388 | K | 97 | Very high | 97.3 | Very high | 126 Ų | 126 | 46.5 Ų | 46.5 | 55% | 0.548 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -131.1 | 168.2 | -177.6 | -65.7 | 170.7 | -166.3 | 163.3 | 0 | 111.1 | N390 Q413 | K388-N390 PolarHBondContact O-N 3.1Å; K388-Q413 PolarHBondContact O-NE2 3.44Å |
| 389 | V | 98.2 | Very high | 97.3 | Very high | 40 Ų | 40 | 50.5 Ų | 50.5 | 24% | 0.242 | 28% | 0.275 | C | S | . | . | trans | -60.5 | 132.1 | 168.1 | 178 | 0 | 0 | 0 | 0 | 108.4 | E394 V424 Y427 Y428 | V389-E394 HydrophobicContact CG1-CB 4.45Å; V389-V424 HydrophobicContact CG2-CG1 3.98Å; V389-V424 HydrophobicContact CG2-CG2 4.48Å; V389-Y427 HydrophobicContact CB-CD1 4.33Å; V389-Y427 HydrophobicContact CG1-CD1 3.78Å; V389-Y427 HydrophobicContact CG1-CE1 3.63Å; V389-Y427 HydrophobicContact CG2-CD1 3.53Å; V389-Y427 HydrophobicContact CG2-CE1 4.15Å; V389-Y427 HydrophobicContact CG2-CG 3.82Å; V389-Y428 HydrophobicContact CG1-CE1 3.95Å | ||
| 390 | N | 98.4 | Very high | 97.3 | Very high | 20 Ų | 20 | 54.1 Ų | 54.1 | 11% | 0.107 | 29% | 0.29 | C | S | . | . | trans | -94 | 128.1 | 177.3 | 175.3 | -76.2 | 0 | 0 | 0 | 109.3 | F380 K388 Y392 I393 E394 Y428 | F380-N390 HydrophobicContact CE1-CB 4.41Å; F380-N390 HydrophobicContact CZ-CB 3.85Å; K388-N390 PolarHBondContact O-N 3.1Å; N390-Y392 VanDerWaalsContact C-N 3.34Å; N390-Y392 PolarHBondContact O-N 3.48Å; N390-Y392 WeakPolarHBondContact OD1-CA 3.49Å; N390-Y392 VanDerWaalsContact OD1-CB 3.32Å; N390-Y392 WeakPolarHBondContact OD1-CB 3.48Å; N390-Y392 PolarHBondContact OD1-N 2.9Å; N390-I393 HydrophobicContact CB-CB 4.38Å; N390-I393 HydrophobicContact CB-CD1 4.03Å; N390-I393 HydrophobicContact CB-CG1 4.11Å; N390-I393 PolarHBondContact O-N 3.13Å; N390-I393 PolarHBondContact OD1-N 2.99Å; N390-I393 VanDerWaalsContact OD1-N 3.1Å; N390-E394 PolarHBondContact O-N 2.88Å; N390-Y428 PolarHBondContact N-OH 3.44Å | ||
| 391 | N | 98.2 | Very high | 97.3 | Very high | 114 Ų | 114 | 56.5 Ų | 56.5 | 61% | 0.61 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62.8 | -38.4 | -174.7 | -63.8 | -10.1 | 0 | 0 | 0 | 112.4 | I393 E394 D395 | N391-I393 VanDerWaalsContact C-N 3.34Å; N391-I393 PolarHBondContact O-N 3.31Å; N391-E394 WeakPolarHBondContact O-CB 3.4Å; N391-E394 PolarHBondContact O-N 2.85Å; N391-D395 WeakPolarHBondContact O-CB 3.42Å; N391-D395 PolarHBondContact O-N 3.31Å |
| 392 | Y | 98.5 | Very high | 97.3 | Very high | 37 Ų | 37 | 59.7 Ų | 59.7 | 15% | 0.145 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.4 | -39 | 178.1 | 174.8 | -97.9 | 0 | 0 | 0 | 112 | D369 D372 K373 V376 N390 D395 C396 K405 L409 | D369-Y392 PolarHBondContact O-OH 2.98Å; D372-Y392 HydrophobicContact CB-CD2 4.12Å; D372-Y392 HydrophobicContact CB-CE2 3.54Å; K373-Y392 HydrophobicContact CB-CE1 4.29Å; K373-Y392 WeakPolarHBondContact CB-OH 3.37Å; K373-Y392 HydrophobicContact CG-CE1 4.46Å; K373-Y392 PolarHBondContact N-OH 3.21Å; V376-Y392 HydrophobicContact CB-CD1 4.34Å; V376-Y392 HydrophobicContact CG2-CD1 3.85Å; V376-Y392 HydrophobicContact CG2-CG 3.95Å; N390-Y392 VanDerWaalsContact C-N 3.34Å; N390-Y392 PolarHBondContact O-N 3.48Å; N390-Y392 WeakPolarHBondContact OD1-CA 3.49Å; N390-Y392 VanDerWaalsContact OD1-CB 3.32Å; N390-Y392 WeakPolarHBondContact OD1-CB 3.48Å; N390-Y392 PolarHBondContact OD1-N 2.9Å; Y392-D395 PolarHBondContact O-N 3.11Å; Y392-C396 VanDerWaalsContact CE1-SG 3.55Å; Y392-C396 WeakPolarHBondContact O-CB 3.29Å; Y392-C396 PolarHBondContact O-N 3.31Å; Y392-C396 PolarHBondContact O-SG 3.31Å; Y392-K405 WeakPolarHBondContact OH-CE 3.37Å; Y392-K405 PolarHBondContact OH-NZ 3.08Å; Y392-L409 HydrophobicContact CD1-CD1 4.14Å; Y392-L409 HydrophobicContact CE1-CD1 3.77Å |
| 393 | I | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 174.2 | -62.5 | 179.8 | 0 | 0 | 0 | 110.5 | F380 N390 N391 C396 I397 V406 L409 V410 Y428 | F380-I393 HydrophobicContact CE2-CD1 3.99Å; F380-I393 HydrophobicContact CZ-CD1 4.07Å; N390-I393 HydrophobicContact CB-CB 4.38Å; N390-I393 HydrophobicContact CB-CD1 4.03Å; N390-I393 HydrophobicContact CB-CG1 4.11Å; N390-I393 PolarHBondContact O-N 3.13Å; N390-I393 PolarHBondContact OD1-N 2.99Å; N390-I393 VanDerWaalsContact OD1-N 3.1Å; N391-I393 VanDerWaalsContact C-N 3.34Å; N391-I393 PolarHBondContact O-N 3.31Å; I393-C396 WeakPolarHBondContact O-CB 3.37Å; I393-C396 PolarHBondContact O-N 2.71Å; I393-I397 HydrophobicContact CG2-CD1 4.06Å; I393-I397 WeakPolarHBondContact O-CG1 3.24Å; I393-I397 PolarHBondContact O-N 3.11Å; I393-V406 HydrophobicContact CG2-CG1 4.36Å; I393-L409 HydrophobicContact CD1-CB 3.73Å; I393-L409 HydrophobicContact CG1-CB 3.89Å; I393-L409 HydrophobicContact CG1-CD1 4.21Å; I393-V410 HydrophobicContact CD1-CG2 4.08Å; I393-V410 HydrophobicContact CG2-CG2 3.59Å; I393-Y428 HydrophobicContact CB-CE1 4.14Å; I393-Y428 HydrophobicContact CG2-CD1 4.14Å; I393-Y428 HydrophobicContact CG2-CE1 3.59Å |
| 394 | E | 98.4 | Very high | 97.5 | Very high | 63 Ų | 63 | 59.1 Ų | 59.1 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58 | -47 | 175.6 | 178.6 | 174.3 | -93.9 | 0 | 0 | 111.4 | V389 N390 N391 C396 I397 A398 Y427 | V389-E394 HydrophobicContact CG1-CB 4.45Å; N390-E394 PolarHBondContact O-N 2.88Å; N391-E394 WeakPolarHBondContact O-CB 3.4Å; N391-E394 PolarHBondContact O-N 2.85Å; E394-C396 PolarHBondContact O-N 3.03Å; E394-I397 PolarHBondContact O-N 3.46Å; E394-I397 VanDerWaalsContact O-N 3.17Å; E394-A398 WeakPolarHBondContact O-CB 3.45Å; E394-A398 PolarHBondContact O-N 2.84Å; E394-Y427 WeakPolarHBondContact OE1-CE1 3.38Å; E394-Y427 PolarHBondContact OE1-OH 3.44Å |
| 395 | D | 98.4 | Very high | 97.7 | Very high | 80 Ų | 80 | 56.4 Ų | 56.4 | 43% | 0.428 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 176 | -72 | -30.1 | 0 | 0 | 0 | 112 | N391 Y392 I397 A398 Q399 | N391-D395 WeakPolarHBondContact O-CB 3.42Å; N391-D395 PolarHBondContact O-N 3.31Å; Y392-D395 PolarHBondContact O-N 3.11Å; D395-I397 VanDerWaalsContact C-N 3.28Å; D395-I397 PolarHBondContact O-N 2.86Å; D395-A398 PolarHBondContact O-N 2.76Å; D395-Q399 VanDerWaalsContact O-CB 3.32Å; D395-Q399 WeakPolarHBondContact O-CB 3.29Å; D395-Q399 WeakPolarHBondContact O-CG 3.13Å; D395-Q399 PolarHBondContact O-N 2.83Å |
| 396 | C | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.014 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.8 | -40.3 | 174.6 | -75.1 | 0 | 0 | 0 | 0 | 111.8 | Y392 I393 E394 K400 H401 V406 Y436 | Y392-C396 VanDerWaalsContact CE1-SG 3.55Å; Y392-C396 WeakPolarHBondContact O-CB 3.29Å; Y392-C396 PolarHBondContact O-N 3.31Å; Y392-C396 PolarHBondContact O-SG 3.31Å; I393-C396 WeakPolarHBondContact O-CB 3.37Å; I393-C396 PolarHBondContact O-N 2.71Å; E394-C396 PolarHBondContact O-N 3.03Å; C396-K400 PolarHBondContact O-N 2.81Å; C396-H401 HydrophobicContact CB-CB 4.16Å; C396-H401 WeakPolarHBondContact O-CB 3.25Å; C396-H401 PolarHBondContact O-N 3.1Å; C396-V406 HydrophobicContact CB-CG2 4.08Å; C396-Y436 PolarHBondContact O-OH 3.27Å |
| 397 | I | 98.7 | Very high | 98.1 | Very high | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.5 | -51.6 | 175.4 | -64.6 | 163.9 | 0 | 0 | 0 | 109.7 | I393 E394 D395 Q399 K400 V406 Y428 E431 I432 T435 Y436 | I393-I397 HydrophobicContact CG2-CD1 4.06Å; I393-I397 WeakPolarHBondContact O-CG1 3.24Å; I393-I397 PolarHBondContact O-N 3.11Å; E394-I397 PolarHBondContact O-N 3.46Å; E394-I397 VanDerWaalsContact O-N 3.17Å; D395-I397 VanDerWaalsContact C-N 3.28Å; D395-I397 PolarHBondContact O-N 2.86Å; I397-Q399 VanDerWaalsContact C-N 3.26Å; I397-Q399 PolarHBondContact O-N 2.77Å; I397-K400 WeakPolarHBondContact O-CA 3.38Å; I397-K400 PolarHBondContact O-N 3.2Å; I397-V406 HydrophobicContact CD1-CG1 3.86Å; I397-V406 HydrophobicContact CG1-CB 4.44Å; I397-V406 HydrophobicContact CG1-CG1 3.59Å; I397-V406 HydrophobicContact CG1-CG2 3.94Å; I397-Y428 HydrophobicContact CD1-CD1 4.3Å; I397-E431 HydrophobicContact CD1-CB 4.22Å; I397-E431 HydrophobicContact CG2-CB 3.94Å; I397-I432 HydrophobicContact CD1-CG1 4.08Å; I397-T435 HydrophobicContact CG2-CG2 4.23Å; I397-T435 WeakPolarHBondContact CG2-OG1 3.35Å; I397-T435 WeakPolarHBondContact O-CG2 3.49Å; I397-Y436 HydrophobicContact CG1-CE2 4.39Å; I397-Y436 HydrophobicContact CG2-CE2 4.15Å |
| 398 | A | 98.2 | Very high | 98.2 | Very high | 80 Ų | 80 | 49.3 Ų | 49.3 | 66% | 0.661 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -59.1 | -35.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E394 D395 K400 | E394-A398 WeakPolarHBondContact O-CB 3.45Å; E394-A398 PolarHBondContact O-N 2.84Å; D395-A398 PolarHBondContact O-N 2.76Å; A398-K400 VanDerWaalsContact C-N 3.3Å |
| 399 | Q | 98.1 | Very high | 98.3 | Very high | 132 Ų | 132 | 43.4 Ų | 43.4 | 62% | 0.617 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | 1.1 | 176.2 | -65.7 | 177.3 | 28.7 | 0 | 0 | 113.7 | D395 I397 H401 | D395-Q399 VanDerWaalsContact O-CB 3.32Å; D395-Q399 WeakPolarHBondContact O-CB 3.29Å; D395-Q399 WeakPolarHBondContact O-CG 3.13Å; D395-Q399 PolarHBondContact O-N 2.83Å; I397-Q399 VanDerWaalsContact C-N 3.26Å; I397-Q399 PolarHBondContact O-N 2.77Å; Q399-H401 PolarHBondContact O-N 2.95Å; Q399-H401 PolarHBondContact OE1-NE2 3.39Å |
| 400 | K | 97.8 | Very high | 98.4 | Very high | 142 Ų | 142 | 41.5 Ų | 41.5 | 62% | 0.617 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 48.2 | 179.7 | -160.4 | 178.5 | -175.7 | 174.1 | 0 | 113 | C396 I397 A398 T435 Y436 | C396-K400 PolarHBondContact O-N 2.81Å; I397-K400 WeakPolarHBondContact O-CA 3.38Å; I397-K400 PolarHBondContact O-N 3.2Å; A398-K400 VanDerWaalsContact C-N 3.3Å; K400-T435 HydrophobicContact CB-CG2 4.27Å; K400-T435 HydrophobicContact CG-CG2 4.07Å; K400-Y436 HydrophobicContact CG-CE1 4.05Å |
| 401 | H | 98.2 | Very high | 98.4 | Very high | 49 Ų | 49 | 40.5 Ų | 40.5 | 23% | 0.227 | 21% | 0.214 | C | C | . | . | trans | -60.3 | 175.8 | 168.2 | -80.4 | -122.9 | 0 | 0 | 0 | 110.9 | D369 C396 Q399 L403 K405 Y436 | D369-H401 IonicContact OD1-CE1 3.27Å; D369-H401 PolarHBondContact OD1-CE1 3.47Å; D369-H401 IonicContact OD1-ND1 2.78Å; C396-H401 HydrophobicContact CB-CB 4.16Å; C396-H401 WeakPolarHBondContact O-CB 3.25Å; C396-H401 PolarHBondContact O-N 3.1Å; Q399-H401 PolarHBondContact O-N 2.95Å; Q399-H401 PolarHBondContact OE1-NE2 3.39Å; H401-L403 PolarHBondContact O-N 3.34Å; H401-K405 HydrophobicContact CB-CD 4.42Å; H401-K405 PolarHBondContact ND1-NZ 2.92Å; H401-Y436 PolarHBondContact N-OH 2.99Å; H401-Y436 WeakPolarHBondContact O-CE1 3.48Å; H401-Y436 PolarHBondContact O-OH 3.5Å | ||
| 402 | S | 97.5 | Very high | 98.4 | Very high | 69 Ų | 69 | 35.1 Ų | 35.1 | 48% | 0.483 | 19% | 0.185 | S | C | . | . | trans | -55.1 | 130.1 | 175.8 | 175.3 | 0 | 0 | 0 | 0 | 111.6 | I404 K405 V406 | S402-I404 PolarHBondContact O-N 3.36Å; S402-I404 PolarHBondContact OG-N 2.93Å; S402-K405 WeakPolarHBondContact O-CB 3.27Å; S402-K405 PolarHBondContact O-N 3.41Å; S402-V406 PolarHBondContact O-N 2.86Å | ||
| 403 | L | 98.2 | Very high | 98.4 | Very high | 16 Ų | 16 | 33.4 Ų | 33.4 | 8% | 0.084 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56 | -37.6 | 175.7 | 176.3 | 59.2 | 0 | 0 | 0 | 111.3 | H401 K405 V406 L407 I432 Y436 H440 M592 | H401-L403 PolarHBondContact O-N 3.34Å; L403-K405 VanDerWaalsContact C-N 3.31Å; L403-K405 PolarHBondContact O-N 3.47Å; L403-V406 PolarHBondContact O-N 2.93Å; L403-L407 HydrophobicContact CD1-CD1 4.05Å; L403-L407 HydrophobicContact CD1-CD2 4.17Å; L403-L407 HydrophobicContact CD1-CG 3.81Å; L403-L407 HydrophobicContact CD2-CD1 4.31Å; L403-L407 HydrophobicContact CG-CD1 3.8Å; L403-L407 HydrophobicContact CG-CG 4.04Å; L403-L407 WeakPolarHBondContact O-CB 3.48Å; L403-L407 VanDerWaalsContact O-CG 3.29Å; L403-L407 WeakPolarHBondContact O-CG 3.47Å; L403-L407 PolarHBondContact O-N 2.74Å; L403-I432 HydrophobicContact CD1-CG2 3.76Å; L403-Y436 HydrophobicContact CB-CD1 3.79Å; L403-Y436 HydrophobicContact CB-CE1 3.99Å; L403-Y436 HydrophobicContact CB-CG 4.2Å; L403-Y436 HydrophobicContact CD1-CD1 4.28Å; L403-Y436 HydrophobicContact CD1-CD2 3.76Å; L403-Y436 HydrophobicContact CD1-CE2 4.16Å; L403-Y436 HydrophobicContact CD1-CG 3.83Å; L403-Y436 HydrophobicContact CD2-CG 4.45Å; L403-Y436 HydrophobicContact CG-CD1 4.45Å; L403-Y436 HydrophobicContact CG-CG 4.37Å; L403-H440 VanDerWaalsContact CD2-CE1 3.45Å; L403-H440 WeakPolarHBondContact CD2-CE1 3.32Å; L403-H440 WeakPolarHBondContact CD2-NE2 3.15Å; L403-M592 HydrophobicContact CD2-CE 3.95Å |
| 404 | I | 98.1 | Very high | 98.4 | Very high | 24 Ų | 24 | 33.4 Ų | 33.4 | 12% | 0.123 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.7 | -40 | 179.2 | -64.1 | 160.7 | 0 | 0 | 0 | 110.9 | S402 L407 R408 T585 I588 E589 M592 | S402-I404 PolarHBondContact O-N 3.36Å; S402-I404 PolarHBondContact OG-N 2.93Å; I404-L407 PolarHBondContact O-N 2.9Å; I404-R408 HydrophobicContact CG2-CG 4.32Å; I404-R408 WeakPolarHBondContact O-CB 3.32Å; I404-R408 VanDerWaalsContact O-CG 3.28Å; I404-R408 WeakPolarHBondContact O-CG 3.24Å; I404-R408 PolarHBondContact O-N 2.96Å; I404-T585 HydrophobicContact CD1-CG2 4.29Å; I404-T585 HydrophobicContact CG2-CG2 4.07Å; I404-I588 HydrophobicContact CG1-CG2 4.44Å; I404-I588 HydrophobicContact CG2-CB 4.19Å; I404-I588 HydrophobicContact CG2-CG2 4.14Å; I404-E589 HydrophobicContact CD1-CG 3.45Å; I404-E589 VanDerWaalsContact CD1-CG 3.45Å; I404-E589 VanDerWaalsContact CD1-OE1 3.3Å; I404-E589 WeakPolarHBondContact CD1-OE1 3.45Å; I404-E589 HydrophobicContact CG1-CG 4.24Å; I404-M592 HydrophobicContact CG1-SD 3.9Å |
| 405 | K | 98.2 | Very high | 98.3 | Very high | 26 Ų | 26 | 31.7 Ų | 31.7 | 11% | 0.113 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.8 | -48.4 | 174.8 | 176.3 | -179.7 | 174.8 | -179.3 | 0 | 110.7 | D369 K373 Y392 H401 S402 L403 R408 L409 | D369-K405 IonicContact OD1-NZ 2.93Å; D369-K405 PolarHBondContact OD1-NZ 3.43Å; D369-K405 IonicContact OD2-NZ 3.55Å; D369-K405 PolarHBondContact OD2-NZ 2.96Å; K373-K405 HydrophobicContact CD-CG 4.34Å; Y392-K405 WeakPolarHBondContact OH-CE 3.37Å; Y392-K405 PolarHBondContact OH-NZ 3.08Å; H401-K405 HydrophobicContact CB-CD 4.42Å; H401-K405 PolarHBondContact ND1-NZ 2.92Å; S402-K405 WeakPolarHBondContact O-CB 3.27Å; S402-K405 PolarHBondContact O-N 3.41Å; L403-K405 VanDerWaalsContact C-N 3.31Å; L403-K405 PolarHBondContact O-N 3.47Å; K405-R408 PolarHBondContact O-N 3.35Å; K405-L409 HydrophobicContact CG-CD1 4.21Å; K405-L409 WeakPolarHBondContact O-CG 3.4Å; K405-L409 PolarHBondContact O-N 2.85Å; K405-L409 VanDerWaalsContact O-N 3.14Å |
| 406 | V | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.3 | -48.8 | 177.6 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | I393 C396 I397 S402 L403 R408 L409 V410 I432 Y436 | I393-V406 HydrophobicContact CG2-CG1 4.36Å; C396-V406 HydrophobicContact CB-CG2 4.08Å; I397-V406 HydrophobicContact CD1-CG1 3.86Å; I397-V406 HydrophobicContact CG1-CB 4.44Å; I397-V406 HydrophobicContact CG1-CG1 3.59Å; I397-V406 HydrophobicContact CG1-CG2 3.94Å; S402-V406 PolarHBondContact O-N 2.86Å; L403-V406 PolarHBondContact O-N 2.93Å; V406-R408 PolarHBondContact O-N 3.11Å; V406-L409 PolarHBondContact O-N 3.3Å; V406-V410 HydrophobicContact CG1-CG2 4.28Å; V406-V410 WeakPolarHBondContact O-CG2 3.37Å; V406-V410 PolarHBondContact O-N 2.87Å; V406-I432 HydrophobicContact CG1-CD1 4.04Å; V406-I432 HydrophobicContact CG1-CG1 4.02Å; V406-Y436 HydrophobicContact CG2-CE2 4.48Å |
| 407 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.3 | -42.6 | -179.5 | -68 | 177.7 | 0 | 0 | 0 | 111.6 | L403 I404 L409 V410 C411 I432 T443 L444 L447 I588 | L403-L407 HydrophobicContact CD1-CD1 4.05Å; L403-L407 HydrophobicContact CD1-CD2 4.17Å; L403-L407 HydrophobicContact CD1-CG 3.81Å; L403-L407 HydrophobicContact CD2-CD1 4.31Å; L403-L407 HydrophobicContact CG-CD1 3.8Å; L403-L407 HydrophobicContact CG-CG 4.04Å; L403-L407 WeakPolarHBondContact O-CB 3.48Å; L403-L407 VanDerWaalsContact O-CG 3.29Å; L403-L407 WeakPolarHBondContact O-CG 3.47Å; L403-L407 PolarHBondContact O-N 2.74Å; I404-L407 PolarHBondContact O-N 2.9Å; L407-L409 PolarHBondContact O-N 3.13Å; L407-V410 PolarHBondContact O-N 3.42Å; L407-C411 WeakPolarHBondContact O-CB 3.35Å; L407-C411 PolarHBondContact O-N 3.23Å; L407-C411 PolarHBondContact O-SG 3.28Å; L407-I432 HydrophobicContact CD2-CD1 4.1Å; L407-T443 HydrophobicContact CD1-CG2 3.92Å; L407-L444 HydrophobicContact CD2-CD2 3.93Å; L407-L447 HydrophobicContact CB-CD1 4.39Å; L407-L447 HydrophobicContact CD1-CD1 4.16Å; L407-L447 HydrophobicContact CD2-CD1 3.74Å; L407-L447 HydrophobicContact CG-CD1 4.3Å; L407-I588 HydrophobicContact CB-CG2 3.97Å; L407-I588 HydrophobicContact CD1-CG2 3.93Å |
| 408 | R | 98.5 | Very high | 98 | Very high | 12 Ų | 12 | 29.9 Ų | 29.9 | 5% | 0.045 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.5 | -49.1 | 175 | -76.2 | 176 | 68.3 | 166.7 | 1.2 | 111.4 | L240 E252 I404 K405 V406 C411 L412 T585 I588 | L240-R408 PolarHBondContact O-NE 2.95Å; L240-R408 PolarHBondContact O-NH2 3.16Å; E252-R408 IonicContact OE1-NH2 2.72Å; E252-R408 IonicContact OE2-CZ 3.51Å; E252-R408 IonicContact OE2-NH1 2.8Å; E252-R408 PolarHBondContact OE2-NH1 3.37Å; E252-R408 IonicContact OE2-NH2 3.87Å; E252-R408 PolarHBondContact OE2-NH2 3.5Å; I404-R408 HydrophobicContact CG2-CG 4.32Å; I404-R408 WeakPolarHBondContact O-CB 3.32Å; I404-R408 VanDerWaalsContact O-CG 3.28Å; I404-R408 WeakPolarHBondContact O-CG 3.24Å; I404-R408 PolarHBondContact O-N 2.96Å; K405-R408 PolarHBondContact O-N 3.35Å; V406-R408 PolarHBondContact O-N 3.11Å; R408-C411 PolarHBondContact O-N 2.84Å; R408-L412 VanDerWaalsContact O-CB 3.29Å; R408-L412 WeakPolarHBondContact O-CB 3.43Å; R408-L412 PolarHBondContact O-N 3.21Å; R408-T585 PolarHBondContact NH1-OG1 3.29Å; R408-I588 HydrophobicContact CG-CG1 3.75Å |
| 409 | L | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.3 | -45.4 | -178.6 | -69 | 167.9 | 0 | 0 | 0 | 112.5 | K373 V376 E377 Y392 I393 K405 V406 L407 L412 Q413 | K373-L409 HydrophobicContact CG-CD1 4.43Å; K373-L409 HydrophobicContact CG-CD2 4.15Å; V376-L409 HydrophobicContact CG1-CD2 4.28Å; E377-L409 HydrophobicContact CG-CD2 3.74Å; Y392-L409 HydrophobicContact CD1-CD1 4.14Å; Y392-L409 HydrophobicContact CE1-CD1 3.77Å; I393-L409 HydrophobicContact CD1-CB 3.73Å; I393-L409 HydrophobicContact CG1-CB 3.89Å; I393-L409 HydrophobicContact CG1-CD1 4.21Å; K405-L409 HydrophobicContact CG-CD1 4.21Å; K405-L409 WeakPolarHBondContact O-CG 3.4Å; K405-L409 PolarHBondContact O-N 2.85Å; K405-L409 VanDerWaalsContact O-N 3.14Å; V406-L409 PolarHBondContact O-N 3.3Å; L407-L409 PolarHBondContact O-N 3.13Å; L409-L412 PolarHBondContact O-N 3.32Å; L409-Q413 WeakPolarHBondContact O-CB 3.47Å; L409-Q413 PolarHBondContact O-N 3.31Å |
| 410 | V | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.4 | -39.6 | 179.2 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | I393 V406 L407 S414 L420 Y428 L453 | I393-V410 HydrophobicContact CD1-CG2 4.08Å; I393-V410 HydrophobicContact CG2-CG2 3.59Å; V406-V410 HydrophobicContact CG1-CG2 4.28Å; V406-V410 WeakPolarHBondContact O-CG2 3.37Å; V406-V410 PolarHBondContact O-N 2.87Å; L407-V410 PolarHBondContact O-N 3.42Å; V410-S414 VanDerWaalsContact O-CB 3.29Å; V410-S414 WeakPolarHBondContact O-CB 3.5Å; V410-S414 PolarHBondContact O-N 3.35Å; V410-L420 HydrophobicContact CG1-CD1 4.28Å; V410-Y428 HydrophobicContact CG1-CD2 3.79Å; V410-Y428 HydrophobicContact CG1-CE2 4.26Å; V410-Y428 HydrophobicContact CG1-CG 4.2Å; V410-Y428 HydrophobicContact CG2-CD1 4.12Å; V410-Y428 HydrophobicContact CG2-CD2 4.17Å; V410-Y428 HydrophobicContact CG2-CE1 4.27Å; V410-Y428 HydrophobicContact CG2-CE2 4.28Å; V410-Y428 HydrophobicContact CG2-CG 4.07Å; V410-L453 HydrophobicContact CG1-CD1 3.47Å; V410-L453 VanDerWaalsContact CG1-CD1 3.47Å; V410-L453 HydrophobicContact CG1-CD2 3.89Å; V410-L453 HydrophobicContact CG1-CG 4.29Å |
| 411 | C | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.8 | -41.7 | 172.8 | -71.3 | 0 | 0 | 0 | 0 | 111.6 | L240 L407 R408 Q413 S414 V415 L452 | L240-C411 HydrophobicContact CD1-CB 3.91Å; L240-C411 HydrophobicContact CD2-CB 3.99Å; L407-C411 WeakPolarHBondContact O-CB 3.35Å; L407-C411 PolarHBondContact O-N 3.23Å; L407-C411 PolarHBondContact O-SG 3.28Å; R408-C411 PolarHBondContact O-N 2.84Å; C411-Q413 PolarHBondContact O-N 3.41Å; C411-S414 PolarHBondContact O-N 3.09Å; C411-V415 VanDerWaalsContact O-CG2 3.3Å; C411-V415 WeakPolarHBondContact O-CG2 3.49Å; C411-V415 PolarHBondContact O-N 2.79Å; C411-L452 HydrophobicContact CB-CB 4.11Å |
| 412 | L | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.1 | -48.3 | 178.4 | -171.3 | 76 | 0 | 0 | 0 | 110.4 | L237 L240 E377 F380 M381 R408 L409 S414 V415 C416 | L237-L412 HydrophobicContact CD1-CD1 3.37Å; L237-L412 HydrophobicContact CD1-CG 4.27Å; L237-L412 HydrophobicContact CG-CD1 4.28Å; L240-L412 HydrophobicContact CB-CB 4.3Å; L240-L412 HydrophobicContact CB-CD1 3.65Å; L240-L412 HydrophobicContact CD1-CB 4.28Å; L240-L412 HydrophobicContact CD1-CD1 4.28Å; E377-L412 HydrophobicContact CB-CD2 3.69Å; E377-L412 HydrophobicContact CG-CD2 3.71Å; F380-L412 HydrophobicContact CB-CD2 4.35Å; F380-L412 HydrophobicContact CB-CG 4.41Å; F380-L412 HydrophobicContact CD2-CD2 4.2Å; F380-L412 HydrophobicContact CD2-CG 4.46Å; M381-L412 HydrophobicContact CG-CD1 4.37Å; R408-L412 VanDerWaalsContact O-CB 3.29Å; R408-L412 WeakPolarHBondContact O-CB 3.43Å; R408-L412 PolarHBondContact O-N 3.21Å; L409-L412 PolarHBondContact O-N 3.32Å; L412-S414 VanDerWaalsContact C-N 3.35Å; L412-S414 PolarHBondContact O-N 2.78Å; L412-V415 PolarHBondContact O-N 2.9Å; L412-C416 WeakPolarHBondContact O-CB 3.45Å; L412-C416 PolarHBondContact O-N 2.99Å; L412-C416 PolarHBondContact O-SG 3.43Å; L412-C416 VanDerWaalsContact O-SG 3.37Å |
| 413 | Q | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -56.4 | -48.8 | 175.1 | -167.5 | -177.4 | 26.9 | 0 | 0 | 111.7 | F380 D385 K388 L409 C411 C416 N417 L420 Y428 | F380-Q413 HydrophobicContact CD1-CB 4.47Å; F380-Q413 HydrophobicContact CD1-CG 4.12Å; F380-Q413 HydrophobicContact CD2-CB 3.88Å; F380-Q413 HydrophobicContact CD2-CG 4.38Å; F380-Q413 HydrophobicContact CE1-CB 4.29Å; F380-Q413 HydrophobicContact CE1-CG 3.78Å; F380-Q413 HydrophobicContact CE2-CB 3.67Å; F380-Q413 HydrophobicContact CE2-CG 4.08Å; F380-Q413 HydrophobicContact CG-CB 4.28Å; F380-Q413 HydrophobicContact CG-CG 4.4Å; F380-Q413 HydrophobicContact CZ-CB 3.88Å; F380-Q413 HydrophobicContact CZ-CG 3.76Å; D385-Q413 PolarHBondContact O-NE2 2.95Å; K388-Q413 PolarHBondContact O-NE2 3.44Å; L409-Q413 WeakPolarHBondContact O-CB 3.47Å; L409-Q413 PolarHBondContact O-N 3.31Å; C411-Q413 PolarHBondContact O-N 3.41Å; Q413-C416 PolarHBondContact O-N 3.4Å; Q413-N417 WeakPolarHBondContact O-CB 3.37Å; Q413-N417 PolarHBondContact O-N 3.27Å; Q413-N417 VanDerWaalsContact O-N 3.1Å; Q413-L420 HydrophobicContact CG-CD2 4.07Å; Q413-Y428 PolarHBondContact OE1-OH 3.23Å |
| 414 | S | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.7 | -47.3 | 178.6 | 167.2 | 0 | 0 | 0 | 0 | 111.9 | V410 C411 L412 N417 S418 G419 L452 K454 | V410-S414 VanDerWaalsContact O-CB 3.29Å; V410-S414 WeakPolarHBondContact O-CB 3.5Å; V410-S414 PolarHBondContact O-N 3.35Å; C411-S414 PolarHBondContact O-N 3.09Å; L412-S414 VanDerWaalsContact C-N 3.35Å; L412-S414 PolarHBondContact O-N 2.78Å; S414-N417 CarbonylContact O-C 3.54Å; S414-N417 PolarHBondContact O-N 3Å; S414-S418 PolarHBondContact O-N 3.11Å; S414-S418 VanDerWaalsContact O-N 3.07Å; S414-G419 PolarHBondContact O-N 2.94Å; S414-L452 WeakPolarHBondContact CB-O 3.41Å; S414-L452 PolarHBondContact OG-O 2.96Å; S414-K454 PolarHBondContact OG-N 3.12Å |
| 415 | V | 97.4 | Very high | 97.7 | Very high | 28 Ų | 28 | 24.2 Ų | 24.2 | 17% | 0.17 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.2 | -44.6 | 179.3 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | L236 L237 L240 C411 L412 N417 S418 L452 | L236-V415 HydrophobicContact CB-CG1 4.28Å; L236-V415 HydrophobicContact CB-CG2 4.11Å; L237-V415 HydrophobicContact CB-CG1 4.07Å; L237-V415 HydrophobicContact CD1-CB 4.46Å; L237-V415 HydrophobicContact CD1-CG1 4.06Å; L240-V415 HydrophobicContact CD1-CG2 4.19Å; C411-V415 VanDerWaalsContact O-CG2 3.3Å; C411-V415 WeakPolarHBondContact O-CG2 3.49Å; C411-V415 PolarHBondContact O-N 2.79Å; L412-V415 PolarHBondContact O-N 2.9Å; V415-N417 PolarHBondContact O-N 2.94Å; V415-S418 PolarHBondContact O-N 2.95Å; V415-L452 HydrophobicContact CG2-CD2 4.17Å |
| 416 | C | 96.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.007 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.2 | -23.1 | 176.1 | -71.5 | 0 | 0 | 0 | 0 | 113.8 | L237 F380 T386 L412 Q413 N461 Y463 | L237-C416 WeakPolarHBondContact CD1-SG 3.39Å; F380-C416 VanDerWaalsContact C-SG 3.53Å; F380-C416 HydrophobicContact CB-CB 4.48Å; F380-C416 WeakPolarHBondContact O-CB 3.39Å; F380-C416 PolarHBondContact O-SG 3.05Å; T386-C416 HydrophobicContact CG2-CB 3.91Å; L412-C416 WeakPolarHBondContact O-CB 3.45Å; L412-C416 PolarHBondContact O-N 2.99Å; L412-C416 PolarHBondContact O-SG 3.43Å; L412-C416 VanDerWaalsContact O-SG 3.37Å; Q413-C416 PolarHBondContact O-N 3.4Å; C416-N461 PolarHBondContact O-ND2 3.25Å; C416-N461 VanDerWaalsContact O-ND2 3.14Å; C416-Y463 HydrophobicContact CB-CD1 4.18Å; C416-Y463 HydrophobicContact CB-CE1 4.23Å; C416-Y463 WeakPolarHBondContact O-CB 3.3Å; C416-Y463 VanDerWaalsContact O-CD1 3.3Å; C416-Y463 WeakPolarHBondContact O-CD1 3.43Å |
| 417 | N | 96.3 | Very high | 97.7 | Very high | 11 Ų | 11 | 29 Ų | 29 | 6% | 0.059 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -103.7 | 3.4 | 179.7 | -160.5 | 42.3 | 0 | 0 | 0 | 114.9 | T386 Q413 S414 V415 G419 N461 | T386-N417 PolarHBondContact OG1-OD1 2.93Å; Q413-N417 WeakPolarHBondContact O-CB 3.37Å; Q413-N417 PolarHBondContact O-N 3.27Å; Q413-N417 VanDerWaalsContact O-N 3.1Å; S414-N417 CarbonylContact O-C 3.54Å; S414-N417 PolarHBondContact O-N 3Å; V415-N417 PolarHBondContact O-N 2.94Å; N417-G419 WeakPolarHBondContact CB-O 3.5Å; N417-G419 PolarHBondContact ND2-O 3.25Å; N417-G419 PolarHBondContact O-N 2.96Å; N417-N461 WeakPolarHBondContact CA-ND2 3.27Å; N417-N461 PolarHBondContact OD1-ND2 3.14Å |
| 418 | S | 95.3 | Very high | 97.7 | Very high | 36 Ų | 36 | 29 Ų | 29 | 25% | 0.252 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 36.8 | -170.1 | -56.1 | 0 | 0 | 0 | 0 | 113.3 | S414 V415 N461 | S414-S418 PolarHBondContact O-N 3.11Å; S414-S418 VanDerWaalsContact O-N 3.07Å; V415-S418 PolarHBondContact O-N 2.95Å; S418-N461 PolarHBondContact OG-OD1 3Å |
| 419 | G | 97.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | S | Bend | trans | 106.3 | 165 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113 | S414 N417 K454 | S414-G419 PolarHBondContact O-N 2.94Å; N417-G419 WeakPolarHBondContact CB-O 3.5Å; N417-G419 PolarHBondContact ND2-O 3.25Å; N417-G419 PolarHBondContact O-N 2.96Å; G419-K454 CarbonylContact C-O 3.35Å; G419-K454 WeakPolarHBondContact CA-O 3.39Å |
| 420 | L | 97.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | B | Isolated β-bridge | trans | -102.6 | 147.7 | 179.4 | -60.4 | 178.2 | 0 | 0 | 0 | 111.1 | V410 Q413 V424 L425 Y428 L453 K454 P455 Q456 | V410-L420 HydrophobicContact CG1-CD1 4.28Å; Q413-L420 HydrophobicContact CG-CD2 4.07Å; L420-V424 HydrophobicContact CB-CB 4.47Å; L420-V424 HydrophobicContact CB-CG1 4.47Å; L420-V424 HydrophobicContact CD1-CG1 4.28Å; L420-L425 HydrophobicContact CB-CB 4.22Å; L420-Y428 HydrophobicContact CD1-CD2 3.76Å; L420-Y428 HydrophobicContact CD1-CE2 3.89Å; L420-L453 HydrophobicContact CD1-CD1 3.77Å; L420-K454 PolarHBondContact N-O 3.27Å; L420-P455 CarbonylContact O-C 3.52Å; L420-P455 WeakPolarHBondContact O-CA 3.47Å; L420-Q456 PolarHBondContact O-N 2.94Å |
| 421 | K | 96.5 | Very high | 97.7 | Very high | 91 Ų | 91 | 37.3 Ų | 37.3 | 40% | 0.396 | 17% | 0.173 | S | C | . | . | trans | -57.3 | 141.7 | 169.6 | -69.3 | 171 | -177.1 | 160 | 0 | 109.1 | D387 K423 V424 L425 | D387-K421 IonicContact OD2-NZ 3.56Å; D387-K421 PolarHBondContact OD2-NZ 2.63Å; K421-K423 PolarHBondContact O-N 3.08Å; K421-K423 VanDerWaalsContact O-N 3.08Å; K421-V424 HydrophobicContact CB-CG2 4.31Å; K421-V424 WeakPolarHBondContact O-CA 3.35Å; K421-V424 WeakPolarHBondContact O-CB 3.33Å; K421-V424 PolarHBondContact O-N 3.23Å; K421-L425 PolarHBondContact O-N 3.46Å | ||
| 422 | Q | 96.3 | Very high | 97.7 | Very high | 102 Ų | 102 | 37.4 Ų | 37.4 | 48% | 0.477 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -49 | -44.7 | -174.6 | -169.1 | 63.3 | 48.3 | 0 | 0 | 113 | V424 L425 D426 | Q422-V424 VanDerWaalsContact C-N 3.35Å; Q422-V424 PolarHBondContact O-N 2.73Å; Q422-L425 PolarHBondContact O-N 2.85Å; Q422-D426 PolarHBondContact NE2-OD1 3.43Å; Q422-D426 PolarHBondContact NE2-OD2 3.43Å; Q422-D426 WeakPolarHBondContact O-CB 3.46Å; Q422-D426 PolarHBondContact O-N 2.89Å |
| 423 | K | 97.5 | Very high | 97.7 | Very high | 184 Ų | 184 | 38.5 Ų | 38.5 | 80% | 0.8 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -60.4 | -39.1 | 178 | -174.4 | 178.3 | 178.3 | -177.9 | 0 | 113.7 | K421 Y427 | K421-K423 PolarHBondContact O-N 3.08Å; K421-K423 VanDerWaalsContact O-N 3.08Å; K423-Y427 WeakPolarHBondContact O-CB 3.39Å; K423-Y427 PolarHBondContact O-N 2.78Å; K423-Y427 VanDerWaalsContact O-N 3.11Å |
| 424 | V | 98.2 | Very high | 97.7 | Very high | 14 Ų | 14 | 43.9 Ų | 43.9 | 9% | 0.085 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -73.2 | -41.7 | 178.6 | 179.4 | 0 | 0 | 0 | 0 | 109.9 | V389 L420 K421 Q422 Y427 Y428 | V389-V424 HydrophobicContact CG2-CG1 3.98Å; V389-V424 HydrophobicContact CG2-CG2 4.48Å; L420-V424 HydrophobicContact CB-CB 4.47Å; L420-V424 HydrophobicContact CB-CG1 4.47Å; L420-V424 HydrophobicContact CD1-CG1 4.28Å; K421-V424 HydrophobicContact CB-CG2 4.31Å; K421-V424 WeakPolarHBondContact O-CA 3.35Å; K421-V424 WeakPolarHBondContact O-CB 3.33Å; K421-V424 PolarHBondContact O-N 3.23Å; Q422-V424 VanDerWaalsContact C-N 3.35Å; Q422-V424 PolarHBondContact O-N 2.73Å; V424-Y427 WeakPolarHBondContact O-CB 3.46Å; V424-Y427 PolarHBondContact O-N 3.28Å; V424-Y428 HydrophobicContact CG1-CD2 4.03Å; V424-Y428 HydrophobicContact CG1-CE2 3.66Å; V424-Y428 WeakPolarHBondContact O-CD2 3.29Å; V424-Y428 PolarHBondContact O-N 2.83Å |
| 425 | L | 98.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.8 | -49.7 | 175.9 | -176.4 | 62 | 0 | 0 | 0 | 111.7 | L420 K421 Q422 Y427 Y428 K429 L453 P455 | L420-L425 HydrophobicContact CB-CB 4.22Å; K421-L425 PolarHBondContact O-N 3.46Å; Q422-L425 PolarHBondContact O-N 2.85Å; L425-Y427 PolarHBondContact O-N 3.33Å; L425-Y428 PolarHBondContact O-N 3.07Å; L425-K429 HydrophobicContact CD1-CD 4.37Å; L425-K429 HydrophobicContact CD1-CG 4.36Å; L425-K429 HydrophobicContact CG-CD 4.15Å; L425-K429 HydrophobicContact CG-CG 4.48Å; L425-K429 WeakPolarHBondContact O-CB 3.13Å; L425-K429 WeakPolarHBondContact O-CG 3.3Å; L425-K429 PolarHBondContact O-N 2.96Å; L425-L453 HydrophobicContact CD1-CD1 3.45Å; L425-L453 VanDerWaalsContact CD1-CD1 3.45Å; L425-L453 HydrophobicContact CD1-CD2 4.4Å; L425-L453 HydrophobicContact CD1-CG 3.71Å; L425-P455 HydrophobicContact CD2-CB 4.02Å; L425-P455 HydrophobicContact CD2-CG 4.48Å |
| 426 | D | 98.3 | Very high | 97.7 | Very high | 72 Ų | 72 | 46 Ų | 46 | 39% | 0.385 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.3 | -33.6 | 178.6 | -66.8 | -19.8 | 0 | 0 | 0 | 111.8 | Q422 R430 | Q422-D426 PolarHBondContact NE2-OD1 3.43Å; Q422-D426 PolarHBondContact NE2-OD2 3.43Å; Q422-D426 WeakPolarHBondContact O-CB 3.46Å; Q422-D426 PolarHBondContact O-N 2.89Å; D426-R430 VanDerWaalsContact O-CB 3.27Å; D426-R430 WeakPolarHBondContact O-CB 3.46Å; D426-R430 PolarHBondContact O-N 3.43Å |
| 427 | Y | 98.7 | Very high | 97.7 | Very high | 56 Ų | 56 | 46.8 Ų | 46.8 | 22% | 0.22 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.9 | -61.1 | 172.8 | -173.9 | -90.9 | 0 | 0 | 0 | 110.7 | V389 E394 K423 V424 L425 K429 R430 E431 | V389-Y427 HydrophobicContact CB-CD1 4.33Å; V389-Y427 HydrophobicContact CG1-CD1 3.78Å; V389-Y427 HydrophobicContact CG1-CE1 3.63Å; V389-Y427 HydrophobicContact CG2-CD1 3.53Å; V389-Y427 HydrophobicContact CG2-CE1 4.15Å; V389-Y427 HydrophobicContact CG2-CG 3.82Å; E394-Y427 WeakPolarHBondContact OE1-CE1 3.38Å; E394-Y427 PolarHBondContact OE1-OH 3.44Å; K423-Y427 WeakPolarHBondContact O-CB 3.39Å; K423-Y427 PolarHBondContact O-N 2.78Å; K423-Y427 VanDerWaalsContact O-N 3.11Å; V424-Y427 WeakPolarHBondContact O-CB 3.46Å; V424-Y427 PolarHBondContact O-N 3.28Å; L425-Y427 PolarHBondContact O-N 3.33Å; Y427-K429 VanDerWaalsContact C-N 3.34Å; Y427-K429 PolarHBondContact O-N 3.27Å; Y427-R430 VanDerWaalsContact CE2-NH2 3.26Å; Y427-R430 PolarHBondContact O-N 3.08Å; Y427-R430 VanDerWaalsContact O-N 3.12Å; Y427-E431 HydrophobicContact CD1-CG 4.03Å; Y427-E431 HydrophobicContact CE1-CG 3.6Å; Y427-E431 HydrophobicContact CE2-CG 4.17Å; Y427-E431 HydrophobicContact CG-CG 4.49Å; Y427-E431 WeakPolarHBondContact O-CG 3.38Å; Y427-E431 PolarHBondContact O-N 3.2Å |
| 428 | Y | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59 | -43.3 | -179.6 | -70.2 | -47.4 | 0 | 0 | 0 | 112.7 | V389 N390 I393 I397 V410 Q413 L420 V424 L425 R430 E431 I432 | V389-Y428 HydrophobicContact CG1-CE1 3.95Å; N390-Y428 PolarHBondContact N-OH 3.44Å; I393-Y428 HydrophobicContact CB-CE1 4.14Å; I393-Y428 HydrophobicContact CG2-CD1 4.14Å; I393-Y428 HydrophobicContact CG2-CE1 3.59Å; I397-Y428 HydrophobicContact CD1-CD1 4.3Å; V410-Y428 HydrophobicContact CG1-CD2 3.79Å; V410-Y428 HydrophobicContact CG1-CE2 4.26Å; V410-Y428 HydrophobicContact CG1-CG 4.2Å; V410-Y428 HydrophobicContact CG2-CD1 4.12Å; V410-Y428 HydrophobicContact CG2-CD2 4.17Å; V410-Y428 HydrophobicContact CG2-CE1 4.27Å; V410-Y428 HydrophobicContact CG2-CE2 4.28Å; V410-Y428 HydrophobicContact CG2-CG 4.07Å; Q413-Y428 PolarHBondContact OE1-OH 3.23Å; L420-Y428 HydrophobicContact CD1-CD2 3.76Å; L420-Y428 HydrophobicContact CD1-CE2 3.89Å; V424-Y428 HydrophobicContact CG1-CD2 4.03Å; V424-Y428 HydrophobicContact CG1-CE2 3.66Å; V424-Y428 WeakPolarHBondContact O-CD2 3.29Å; V424-Y428 PolarHBondContact O-N 2.83Å; L425-Y428 PolarHBondContact O-N 3.07Å; Y428-R430 VanDerWaalsContact C-N 3.3Å; Y428-R430 PolarHBondContact O-N 3.01Å; Y428-E431 PolarHBondContact O-N 2.92Å; Y428-I432 VanDerWaalsContact O-CB 3.28Å; Y428-I432 WeakPolarHBondContact O-CB 3.44Å; Y428-I432 WeakPolarHBondContact O-CD1 3.48Å; Y428-I432 WeakPolarHBondContact O-CG1 3.26Å; Y428-I432 PolarHBondContact O-N 2.78Å |
| 429 | K | 98.6 | Very high | 97.7 | Very high | 44 Ų | 44 | 56.8 Ų | 56.8 | 19% | 0.191 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.4 | -44.4 | 177.3 | -73.3 | -175.4 | 173.2 | -179.1 | 0 | 111.1 | L425 Y427 L433 L444 E448 | L425-K429 HydrophobicContact CD1-CD 4.37Å; L425-K429 HydrophobicContact CD1-CG 4.36Å; L425-K429 HydrophobicContact CG-CD 4.15Å; L425-K429 HydrophobicContact CG-CG 4.48Å; L425-K429 WeakPolarHBondContact O-CB 3.13Å; L425-K429 WeakPolarHBondContact O-CG 3.3Å; L425-K429 PolarHBondContact O-N 2.96Å; Y427-K429 VanDerWaalsContact C-N 3.34Å; Y427-K429 PolarHBondContact O-N 3.27Å; K429-L433 WeakPolarHBondContact O-CB 3.16Å; K429-L433 WeakPolarHBondContact O-CD1 3.47Å; K429-L433 WeakPolarHBondContact O-CG 3.49Å; K429-L433 PolarHBondContact O-N 3.4Å; K429-L433 VanDerWaalsContact O-N 3.08Å; K429-L444 HydrophobicContact CB-CD1 4.27Å; K429-L444 HydrophobicContact CG-CD1 4.14Å; K429-E448 IonicContact NZ-OE2 2.73Å; K429-E448 PolarHBondContact NZ-OE2 3.47Å |
| 430 | R | 98.6 | Very high | 97.6 | Very high | 102 Ų | 102 | 57.9 Ų | 57.9 | 39% | 0.385 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.5 | -51.1 | 178.7 | -176 | -177.4 | 64 | -104.6 | -10.7 | 111.9 | D426 Y427 Y428 I432 L433 Q434 | D426-R430 VanDerWaalsContact O-CB 3.27Å; D426-R430 WeakPolarHBondContact O-CB 3.46Å; D426-R430 PolarHBondContact O-N 3.43Å; Y427-R430 VanDerWaalsContact CE2-NH2 3.26Å; Y427-R430 PolarHBondContact O-N 3.08Å; Y427-R430 VanDerWaalsContact O-N 3.12Å; Y428-R430 VanDerWaalsContact C-N 3.3Å; Y428-R430 PolarHBondContact O-N 3.01Å; R430-I432 VanDerWaalsContact C-N 3.31Å; R430-I432 PolarHBondContact O-N 2.99Å; R430-L433 PolarHBondContact O-N 3.28Å; R430-Q434 HydrophobicContact CG-CG 4.34Å; R430-Q434 WeakPolarHBondContact O-CB 3.39Å; R430-Q434 WeakPolarHBondContact O-CG 3.49Å; R430-Q434 PolarHBondContact O-N 3.44Å |
| 431 | E | 98.7 | Very high | 97.6 | Very high | 41 Ų | 41 | 62.8 Ų | 62.8 | 19% | 0.192 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.3 | -38.8 | -177.4 | -59.1 | -47.2 | 123.3 | 0 | 0 | 111.6 | I397 Y427 Y428 T435 | I397-E431 HydrophobicContact CD1-CB 4.22Å; I397-E431 HydrophobicContact CG2-CB 3.94Å; Y427-E431 HydrophobicContact CD1-CG 4.03Å; Y427-E431 HydrophobicContact CE1-CG 3.6Å; Y427-E431 HydrophobicContact CE2-CG 4.17Å; Y427-E431 HydrophobicContact CG-CG 4.49Å; Y427-E431 WeakPolarHBondContact O-CG 3.38Å; Y427-E431 PolarHBondContact O-N 3.2Å; Y428-E431 PolarHBondContact O-N 2.92Å; E431-T435 VanDerWaalsContact O-CB 3.27Å; E431-T435 WeakPolarHBondContact O-CB 3.46Å; E431-T435 PolarHBondContact O-N 2.7Å; E431-T435 VanDerWaalsContact O-N 3.11Å; E431-T435 PolarHBondContact O-OG1 2.86Å |
| 432 | I | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.8 | -51.7 | 175.3 | -70.6 | 166.5 | 0 | 0 | 0 | 110.8 | I397 L403 V406 L407 Y428 R430 Q434 T435 Y436 L444 | I397-I432 HydrophobicContact CD1-CG1 4.08Å; L403-I432 HydrophobicContact CD1-CG2 3.76Å; V406-I432 HydrophobicContact CG1-CD1 4.04Å; V406-I432 HydrophobicContact CG1-CG1 4.02Å; L407-I432 HydrophobicContact CD2-CD1 4.1Å; Y428-I432 VanDerWaalsContact O-CB 3.28Å; Y428-I432 WeakPolarHBondContact O-CB 3.44Å; Y428-I432 WeakPolarHBondContact O-CD1 3.48Å; Y428-I432 WeakPolarHBondContact O-CG1 3.26Å; Y428-I432 PolarHBondContact O-N 2.78Å; R430-I432 VanDerWaalsContact C-N 3.31Å; R430-I432 PolarHBondContact O-N 2.99Å; I432-Q434 VanDerWaalsContact C-N 3.35Å; I432-Q434 PolarHBondContact O-N 3.37Å; I432-T435 PolarHBondContact O-N 3.32Å; I432-Y436 HydrophobicContact CB-CD2 4.49Å; I432-Y436 HydrophobicContact CG2-CD2 4.14Å; I432-Y436 WeakPolarHBondContact O-CB 3.2Å; I432-Y436 WeakPolarHBondContact O-CD2 3.33Å; I432-Y436 PolarHBondContact O-N 3.43Å; I432-L444 HydrophobicContact CD1-CD2 4.23Å; I432-L444 HydrophobicContact CG2-CD1 4.39Å; I432-L444 HydrophobicContact CG2-CD2 4.45Å |
| 433 | L | 98.2 | Very high | 97.6 | Very high | 24 Ų | 24 | 57.3 Ų | 57.3 | 13% | 0.126 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.5 | -38 | -176.7 | -67.8 | 170.6 | 0 | 0 | 0 | 112.3 | K429 R430 T435 G437 Y438 H440 I441 L444 | K429-L433 WeakPolarHBondContact O-CB 3.16Å; K429-L433 WeakPolarHBondContact O-CD1 3.47Å; K429-L433 WeakPolarHBondContact O-CG 3.49Å; K429-L433 PolarHBondContact O-N 3.4Å; K429-L433 VanDerWaalsContact O-N 3.08Å; R430-L433 PolarHBondContact O-N 3.28Å; L433-T435 VanDerWaalsContact C-N 3.35Å; L433-G437 CarbonylContact O-C 3.51Å; L433-G437 VanDerWaalsContact O-C 3.3Å; L433-G437 WeakPolarHBondContact O-CA 3.5Å; L433-G437 PolarHBondContact O-N 2.99Å; L433-G437 VanDerWaalsContact O-N 3.09Å; L433-Y438 HydrophobicContact CB-CD1 4.21Å; L433-Y438 HydrophobicContact CB-CE1 4.28Å; L433-H440 HydrophobicContact CD2-CB 4.28Å; L433-I441 HydrophobicContact CD2-CB 4.19Å; L433-L444 HydrophobicContact CD1-CD1 4.18Å; L433-L444 HydrophobicContact CD2-CD1 3.87Å; L433-L444 HydrophobicContact CG-CD1 3.83Å |
| 434 | Q | 98.3 | Very high | 97.7 | Very high | 113 Ų | 113 | 48.8 Ų | 48.8 | 53% | 0.528 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -69 | -32.3 | 178.3 | -72.7 | -179.9 | -5.9 | 0 | 0 | 112.8 | R430 I432 | R430-Q434 HydrophobicContact CG-CG 4.34Å; R430-Q434 WeakPolarHBondContact O-CB 3.39Å; R430-Q434 WeakPolarHBondContact O-CG 3.49Å; R430-Q434 PolarHBondContact O-N 3.44Å; I432-Q434 VanDerWaalsContact C-N 3.35Å; I432-Q434 PolarHBondContact O-N 3.37Å |
| 435 | T | 98.4 | Very high | 97.6 | Very high | 43 Ų | 43 | 53.1 Ų | 53.1 | 26% | 0.264 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -89.6 | -41.3 | -176.5 | -56.8 | 0 | 0 | 0 | 0 | 113.1 | I397 K400 E431 I432 L433 | I397-T435 HydrophobicContact CG2-CG2 4.23Å; I397-T435 WeakPolarHBondContact CG2-OG1 3.35Å; I397-T435 WeakPolarHBondContact O-CG2 3.49Å; K400-T435 HydrophobicContact CB-CG2 4.27Å; K400-T435 HydrophobicContact CG-CG2 4.07Å; E431-T435 VanDerWaalsContact O-CB 3.27Å; E431-T435 WeakPolarHBondContact O-CB 3.46Å; E431-T435 PolarHBondContact O-N 2.7Å; E431-T435 VanDerWaalsContact O-N 3.11Å; E431-T435 PolarHBondContact O-OG1 2.86Å; I432-T435 PolarHBondContact O-N 3.32Å; L433-T435 VanDerWaalsContact C-N 3.35Å |
| 436 | Y | 97.5 | Very high | 97.6 | Very high | 30 Ų | 30 | 54.1 Ų | 54.1 | 12% | 0.118 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -104 | -17.8 | -170.7 | -63 | -80 | 0 | 0 | 0 | 114.1 | C396 I397 K400 H401 L403 V406 I432 | C396-Y436 PolarHBondContact O-OH 3.27Å; I397-Y436 HydrophobicContact CG1-CE2 4.39Å; I397-Y436 HydrophobicContact CG2-CE2 4.15Å; K400-Y436 HydrophobicContact CG-CE1 4.05Å; H401-Y436 PolarHBondContact N-OH 2.99Å; H401-Y436 WeakPolarHBondContact O-CE1 3.48Å; H401-Y436 PolarHBondContact O-OH 3.5Å; L403-Y436 HydrophobicContact CB-CD1 3.79Å; L403-Y436 HydrophobicContact CB-CE1 3.99Å; L403-Y436 HydrophobicContact CB-CG 4.2Å; L403-Y436 HydrophobicContact CD1-CD1 4.28Å; L403-Y436 HydrophobicContact CD1-CD2 3.76Å; L403-Y436 HydrophobicContact CD1-CE2 4.16Å; L403-Y436 HydrophobicContact CD1-CG 3.83Å; L403-Y436 HydrophobicContact CD2-CG 4.45Å; L403-Y436 HydrophobicContact CG-CD1 4.45Å; L403-Y436 HydrophobicContact CG-CG 4.37Å; V406-Y436 HydrophobicContact CG2-CE2 4.48Å; I432-Y436 HydrophobicContact CB-CD2 4.49Å; I432-Y436 HydrophobicContact CG2-CD2 4.14Å; I432-Y436 WeakPolarHBondContact O-CB 3.2Å; I432-Y436 WeakPolarHBondContact O-CD2 3.33Å; I432-Y436 PolarHBondContact O-N 3.43Å |
| 437 | G | 96.5 | Very high | 97.6 | Very high | 17 Ų | 17 | 50.7 Ų | 50.7 | 18% | 0.175 | 24% | 0.237 | C | C | . | . | trans | 119.4 | 149.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L433 E439 H440 | L433-G437 CarbonylContact O-C 3.51Å; L433-G437 VanDerWaalsContact O-C 3.3Å; L433-G437 WeakPolarHBondContact O-CA 3.5Å; L433-G437 PolarHBondContact O-N 2.99Å; L433-G437 VanDerWaalsContact O-N 3.09Å; G437-E439 VanDerWaalsContact C-N 3.3Å; G437-E439 WeakPolarHBondContact CA-OE2 3.2Å; G437-E439 PolarHBondContact O-N 2.83Å; G437-H440 PolarHBondContact O-N 2.77Å | ||
| 438 | Y | 96 | Very high | 97.5 | Very high | 153 Ų | 153 | 51.1 Ų | 51.1 | 60% | 0.6 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -75.5 | -18.1 | -177.2 | -75.5 | -85.2 | 0 | 0 | 0 | 113.3 | L433 H440 I441 | L433-Y438 HydrophobicContact CB-CD1 4.21Å; L433-Y438 HydrophobicContact CB-CE1 4.28Å; Y438-H440 PolarHBondContact O-N 2.92Å; Y438-H440 VanDerWaalsContact O-N 3.15Å; Y438-I441 WeakPolarHBondContact O-CB 3.21Å; Y438-I441 WeakPolarHBondContact O-CG2 3.44Å; Y438-I441 PolarHBondContact O-N 3.44Å; Y438-I441 VanDerWaalsContact O-N 3.08Å |
| 439 | E | 94.8 | Very high | 97.4 | Very high | 104 Ų | 104 | 57 Ų | 57 | 49% | 0.486 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -55 | -27 | 171.3 | 60.1 | -91.7 | -141.5 | 0 | 0 | 112.4 | G437 I441 P595 | G437-E439 VanDerWaalsContact C-N 3.3Å; G437-E439 WeakPolarHBondContact CA-OE2 3.2Å; G437-E439 PolarHBondContact O-N 2.83Å; E439-I441 PolarHBondContact O-N 2.93Å; E439-P595 HydrophobicContact CG-CB 4.49Å |
| 440 | H | 96.7 | Very high | 97.3 | Very high | 24 Ų | 24 | 55.1 Ų | 55.1 | 11% | 0.111 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -77 | 2.7 | 178.7 | -65.9 | -59 | 0 | 0 | 0 | 114.4 | L403 L433 G437 Y438 L442 T443 L444 | L403-H440 VanDerWaalsContact CD2-CE1 3.45Å; L403-H440 WeakPolarHBondContact CD2-CE1 3.32Å; L403-H440 WeakPolarHBondContact CD2-NE2 3.15Å; L433-H440 HydrophobicContact CD2-CB 4.28Å; G437-H440 PolarHBondContact O-N 2.77Å; Y438-H440 PolarHBondContact O-N 2.92Å; Y438-H440 VanDerWaalsContact O-N 3.15Å; H440-L442 PolarHBondContact O-N 3.01Å; H440-T443 WeakPolarHBondContact O-CB 3.34Å; H440-T443 PolarHBondContact O-N 3.22Å; H440-T443 VanDerWaalsContact O-N 3.09Å; H440-L444 WeakPolarHBondContact O-CG 3.21Å; H440-L444 PolarHBondContact O-N 3.04Å |
| 441 | I | 96.8 | Very high | 97.2 | Very high | 102 Ų | 102 | 51 Ų | 51 | 52% | 0.523 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.5 | -38.5 | 174.1 | -165 | 168.8 | 0 | 0 | 0 | 112.1 | L433 Y438 E439 L444 H445 | L433-I441 HydrophobicContact CD2-CB 4.19Å; Y438-I441 WeakPolarHBondContact O-CB 3.21Å; Y438-I441 WeakPolarHBondContact O-CG2 3.44Å; Y438-I441 PolarHBondContact O-N 3.44Å; Y438-I441 VanDerWaalsContact O-N 3.08Å; E439-I441 PolarHBondContact O-N 2.93Å; I441-L444 PolarHBondContact O-N 3.14Å; I441-H445 WeakPolarHBondContact O-CB 3.41Å; I441-H445 PolarHBondContact O-N 3.39Å |
| 442 | L | 95.8 | Very high | 97.1 | Very high | 77 Ų | 77 | 49 Ų | 49 | 40% | 0.403 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -70.8 | -35.2 | 176 | -64.3 | -179.2 | 0 | 0 | 0 | 111.6 | H440 H445 N446 E593 | H440-L442 PolarHBondContact O-N 3.01Å; L442-H445 PolarHBondContact O-N 2.89Å; L442-N446 WeakPolarHBondContact O-CB 3.43Å; L442-N446 PolarHBondContact O-N 3.27Å; L442-N446 PolarHBondContact O-OD1 2.79Å; L442-E593 HydrophobicContact CB-CB 4Å; L442-E593 HydrophobicContact CB-CG 4.29Å; L442-E593 HydrophobicContact CD1-CG 4.14Å |
| 443 | T | 97.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.6 | -48.3 | 172.6 | -64.8 | 0 | 0 | 0 | 0 | 110.8 | L407 H440 H445 N446 L447 M592 E593 | L407-T443 HydrophobicContact CD1-CG2 3.92Å; H440-T443 WeakPolarHBondContact O-CB 3.34Å; H440-T443 PolarHBondContact O-N 3.22Å; H440-T443 VanDerWaalsContact O-N 3.09Å; T443-H445 VanDerWaalsContact C-N 3.31Å; T443-H445 PolarHBondContact O-N 3.41Å; T443-N446 WeakPolarHBondContact O-CB 3.43Å; T443-N446 PolarHBondContact O-N 3.37Å; T443-L447 HydrophobicContact CG2-CD1 4.35Å; T443-L447 WeakPolarHBondContact O-CG 3.06Å; T443-L447 PolarHBondContact O-N 2.87Å; T443-M592 HydrophobicContact CG2-CB 4.29Å; T443-M592 HydrophobicContact CG2-CG 3.7Å; T443-E593 PolarHBondContact OG1-N 3Å |
| 444 | L | 98.2 | Very high | 97 | Very high | 6 Ų | 6 | 51.9 Ų | 51.9 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.1 | -37.2 | 178 | -65.5 | 172.3 | 0 | 0 | 0 | 111.9 | L407 K429 I432 L433 H440 I441 L447 E448 L453 | L407-L444 HydrophobicContact CD2-CD2 3.93Å; K429-L444 HydrophobicContact CB-CD1 4.27Å; K429-L444 HydrophobicContact CG-CD1 4.14Å; I432-L444 HydrophobicContact CD1-CD2 4.23Å; I432-L444 HydrophobicContact CG2-CD1 4.39Å; I432-L444 HydrophobicContact CG2-CD2 4.45Å; L433-L444 HydrophobicContact CD1-CD1 4.18Å; L433-L444 HydrophobicContact CD2-CD1 3.87Å; L433-L444 HydrophobicContact CG-CD1 3.83Å; H440-L444 WeakPolarHBondContact O-CG 3.21Å; H440-L444 PolarHBondContact O-N 3.04Å; I441-L444 PolarHBondContact O-N 3.14Å; L444-L447 PolarHBondContact O-N 3.08Å; L444-E448 PolarHBondContact O-N 2.87Å; L444-L453 HydrophobicContact CD2-CD2 3.95Å |
| 445 | H | 96.9 | Very high | 96.9 | Very high | 105 Ų | 105 | 48 Ų | 48 | 49% | 0.486 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.9 | -42.8 | 173.5 | -178.5 | 67.6 | 0 | 0 | 0 | 112.3 | I441 L442 T443 L447 E448 K449 | I441-H445 WeakPolarHBondContact O-CB 3.41Å; I441-H445 PolarHBondContact O-N 3.39Å; L442-H445 PolarHBondContact O-N 2.89Å; T443-H445 VanDerWaalsContact C-N 3.31Å; T443-H445 PolarHBondContact O-N 3.41Å; H445-L447 PolarHBondContact O-N 2.82Å; H445-E448 WeakPolarHBondContact O-CB 3.5Å; H445-E448 PolarHBondContact O-N 3.27Å; H445-K449 WeakPolarHBondContact O-CB 3.23Å; H445-K449 PolarHBondContact O-N 2.97Å |
| 446 | N | 97.6 | Very high | 96.6 | Very high | 21 Ų | 21 | 49.4 Ų | 49.4 | 11% | 0.112 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.7 | -45 | 175.8 | -73.4 | -9.6 | 0 | 0 | 0 | 111.1 | L165 L442 T443 E448 K449 A450 L591 | L165-N446 HydrophobicContact CD1-CB 3.77Å; L165-N446 VanDerWaalsContact CD2-O 3.32Å; L165-N446 WeakPolarHBondContact CD2-O 3.48Å; L442-N446 WeakPolarHBondContact O-CB 3.43Å; L442-N446 PolarHBondContact O-N 3.27Å; L442-N446 PolarHBondContact O-OD1 2.79Å; T443-N446 WeakPolarHBondContact O-CB 3.43Å; T443-N446 PolarHBondContact O-N 3.37Å; N446-E448 VanDerWaalsContact C-N 3.3Å; N446-E448 PolarHBondContact O-N 2.92Å; N446-K449 PolarHBondContact O-N 2.67Å; N446-A450 WeakPolarHBondContact O-CB 3.33Å; N446-A450 PolarHBondContact O-N 3Å; N446-L591 WeakPolarHBondContact CB-O 3.35Å; N446-L591 PolarHBondContact ND2-O 3.44Å |
| 447 | L | 98.3 | Very high | 96 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.4 | -35.5 | 176.8 | -66 | 172.7 | 0 | 0 | 0 | 112.6 | L407 T443 L444 H445 G451 L452 L453 I588 L591 | L407-L447 HydrophobicContact CB-CD1 4.39Å; L407-L447 HydrophobicContact CD1-CD1 4.16Å; L407-L447 HydrophobicContact CD2-CD1 3.74Å; L407-L447 HydrophobicContact CG-CD1 4.3Å; T443-L447 HydrophobicContact CG2-CD1 4.35Å; T443-L447 WeakPolarHBondContact O-CG 3.06Å; T443-L447 PolarHBondContact O-N 2.87Å; L444-L447 PolarHBondContact O-N 3.08Å; H445-L447 PolarHBondContact O-N 2.82Å; L447-G451 PolarHBondContact O-N 3.18Å; L447-L452 HydrophobicContact CD2-CB 4.39Å; L447-L452 HydrophobicContact CD2-CD1 3.8Å; L447-L452 PolarHBondContact O-N 2.69Å; L447-L453 HydrophobicContact CB-CB 3.94Å; L447-L453 PolarHBondContact O-N 3.3Å; L447-I588 HydrophobicContact CD2-CD1 3.85Å; L447-L591 HydrophobicContact CD2-CB 4.25Å; L447-L591 HydrophobicContact CD2-CD1 3.96Å |
| 448 | E | 97.3 | Very high | 95 | Very high | 65 Ų | 65 | 57 Ų | 57 | 30% | 0.304 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.6 | -47.4 | 174.1 | -176.1 | 169.8 | 167.2 | 0 | 0 | 111.8 | K429 L444 H445 N446 A450 G451 L453 K454 | K429-E448 IonicContact NZ-OE2 2.73Å; K429-E448 PolarHBondContact NZ-OE2 3.47Å; L444-E448 PolarHBondContact O-N 2.87Å; H445-E448 WeakPolarHBondContact O-CB 3.5Å; H445-E448 PolarHBondContact O-N 3.27Å; N446-E448 VanDerWaalsContact C-N 3.3Å; N446-E448 PolarHBondContact O-N 2.92Å; E448-A450 VanDerWaalsContact C-N 3.33Å; E448-A450 PolarHBondContact O-N 2.9Å; E448-G451 WeakPolarHBondContact O-CA 3.35Å; E448-G451 PolarHBondContact O-N 2.93Å; E448-L453 WeakPolarHBondContact CA-O 3.33Å; E448-L453 VanDerWaalsContact CB-O 3.25Å; E448-L453 WeakPolarHBondContact CB-O 3.35Å; E448-K454 HydrophobicContact CG-CB 4.47Å |
| 449 | K | 96.2 | Very high | 94.1 | Very high | 124 Ų | 124 | 52 Ų | 52 | 54% | 0.539 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.1 | -36.4 | 177.9 | -172.9 | 178.8 | -176 | -178.3 | 0 | 112.4 | L165 H445 N446 G451 | L165-K449 HydrophobicContact CD2-CB 3.68Å; L165-K449 HydrophobicContact CD2-CD 3.9Å; L165-K449 HydrophobicContact CD2-CG 3.77Å; L165-K449 VanDerWaalsContact O-CE 3.28Å; L165-K449 WeakPolarHBondContact O-CE 3.42Å; L165-K449 PolarHBondContact O-NZ 2.87Å; H445-K449 WeakPolarHBondContact O-CB 3.23Å; H445-K449 PolarHBondContact O-N 2.97Å; N446-K449 PolarHBondContact O-N 2.67Å; K449-G451 PolarHBondContact O-N 3.13Å |
| 450 | A | 96.6 | Very high | 93.7 | Very high | 4 Ų | 4 | 56.3 Ų | 56.3 | 3% | 0.033 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -7.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | F160 L165 N446 E448 L452 | F160-A450 HydrophobicContact CE1-CB 4.11Å; L165-A450 HydrophobicContact CD2-CB 3.99Å; N446-A450 WeakPolarHBondContact O-CB 3.33Å; N446-A450 PolarHBondContact O-N 3Å; E448-A450 VanDerWaalsContact C-N 3.33Å; E448-A450 PolarHBondContact O-N 2.9Å; A450-L452 VanDerWaalsContact C-N 3.29Å; A450-L452 HydrophobicContact CB-CD1 4.21Å; A450-L452 HydrophobicContact CB-CG 4.36Å; A450-L452 PolarHBondContact O-N 2.53Å |
| 451 | G | 96.1 | Very high | 93.5 | Very high | 15 Ų | 15 | 56.6 Ų | 56.6 | 16% | 0.155 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 5.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | L447 E448 K449 | L447-G451 PolarHBondContact O-N 3.18Å; E448-G451 WeakPolarHBondContact O-CA 3.35Å; E448-G451 PolarHBondContact O-N 2.93Å; K449-G451 PolarHBondContact O-N 3.13Å |
| 452 | L | 98 | Very high | 93.3 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -78.2 | -42.2 | -179.4 | -71.8 | 168.1 | 0 | 0 | 0 | 112.2 | L236 L240 C411 S414 V415 L447 A450 W587 I588 L591 | L236-L452 HydrophobicContact CB-CD2 4Å; L236-L452 HydrophobicContact CD1-CD2 4.2Å; L236-L452 HydrophobicContact CD2-CD2 4.24Å; L236-L452 HydrophobicContact CG-CD2 4.39Å; L240-L452 HydrophobicContact CD1-CD2 4.05Å; C411-L452 HydrophobicContact CB-CB 4.11Å; S414-L452 WeakPolarHBondContact CB-O 3.41Å; S414-L452 PolarHBondContact OG-O 2.96Å; V415-L452 HydrophobicContact CG2-CD2 4.17Å; L447-L452 HydrophobicContact CD2-CB 4.39Å; L447-L452 HydrophobicContact CD2-CD1 3.8Å; L447-L452 PolarHBondContact O-N 2.69Å; A450-L452 VanDerWaalsContact C-N 3.29Å; A450-L452 HydrophobicContact CB-CD1 4.21Å; A450-L452 HydrophobicContact CB-CG 4.36Å; A450-L452 PolarHBondContact O-N 2.53Å; L452-W587 HydrophobicContact CD1-CH2 4.28Å; L452-W587 HydrophobicContact CD1-CZ2 4.16Å; L452-W587 HydrophobicContact CD2-CH2 3.6Å; L452-W587 HydrophobicContact CD2-CZ2 4.21Å; L452-W587 HydrophobicContact CD2-CZ3 4.01Å; L452-W587 HydrophobicContact CG-CH2 4.42Å; L452-I588 HydrophobicContact CD1-CD1 4.43Å; L452-L591 HydrophobicContact CD1-CD1 3.4Å; L452-L591 VanDerWaalsContact CD1-CD1 3.4Å |
| 453 | L | 97.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -128 | 85.1 | -179.7 | -178.5 | 51.6 | 0 | 0 | 0 | 110.7 | V410 L420 L425 L444 L447 E448 | V410-L453 HydrophobicContact CG1-CD1 3.47Å; V410-L453 VanDerWaalsContact CG1-CD1 3.47Å; V410-L453 HydrophobicContact CG1-CD2 3.89Å; V410-L453 HydrophobicContact CG1-CG 4.29Å; L420-L453 HydrophobicContact CD1-CD1 3.77Å; L425-L453 HydrophobicContact CD1-CD1 3.45Å; L425-L453 VanDerWaalsContact CD1-CD1 3.45Å; L425-L453 HydrophobicContact CD1-CD2 4.4Å; L425-L453 HydrophobicContact CD1-CG 3.71Å; L444-L453 HydrophobicContact CD2-CD2 3.95Å; L447-L453 HydrophobicContact CB-CB 3.94Å; L447-L453 PolarHBondContact O-N 3.3Å; E448-L453 WeakPolarHBondContact CA-O 3.33Å; E448-L453 VanDerWaalsContact CB-O 3.25Å; E448-L453 WeakPolarHBondContact CB-O 3.35Å |
| 454 | K | 95.8 | Very high | 93.3 | Very high | 84 Ų | 84 | 54.2 Ų | 54.2 | 37% | 0.365 | 30% | 0.304 | S | S | . | . | trans | -125.4 | 156.1 | -170.7 | 68 | -178.7 | 179 | -170.7 | 0 | 112.7 | S414 G419 L420 E448 | S414-K454 PolarHBondContact OG-N 3.12Å; G419-K454 CarbonylContact C-O 3.35Å; G419-K454 WeakPolarHBondContact CA-O 3.39Å; L420-K454 PolarHBondContact N-O 3.27Å; E448-K454 HydrophobicContact CG-CB 4.47Å | ||
| 455 | P | 96.4 | Very high | 93.2 | Very high | 33 Ų | 33 | 56.1 Ų | 56.1 | 21% | 0.214 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -64.6 | 144 | 168.3 | 28.1 | -34.6 | 0 | 0 | 0 | 110.2 | L420 L425 T457 | L420-P455 CarbonylContact O-C 3.52Å; L420-P455 WeakPolarHBondContact O-CA 3.47Å; L425-P455 HydrophobicContact CD2-CB 4.02Å; L425-P455 HydrophobicContact CD2-CG 4.48Å; P455-T457 PolarHBondContact O-N 3.3Å |
| 456 | Q | 93 | Very high | 93.3 | Very high | 71 Ų | 71 | 51.9 Ų | 51.9 | 33% | 0.332 | 30% | 0.297 | S | S | . | . | trans | -65 | 114.9 | 167.4 | -175.5 | 171.3 | 61.5 | 0 | 0 | 108.4 | L420 | L420-Q456 PolarHBondContact O-N 2.94Š| ||
| 457 | T | 84.1 | Confident | 93.3 | Very high | 110 Ų | 110 | 54.2 Ų | 54.2 | 68% | 0.675 | 30% | 0.304 | S | S | * | . | trans | -77.6 | 150.9 | 166.5 | 59.7 | 0 | 0 | 0 | 0 | 107.7 | P455 G459 | P455-T457 PolarHBondContact O-N 3.3Å; T457-G459 PolarHBondContact O-N 3.39Å | ||
| 458 | G | 75.3 | Confident | 93.2 | Very high | 96 Ų | 96 | 62.4 Ų | 62.4 | 99% | 0.99 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -59.9 | 14.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 459 | G | 77.4 | Confident | 93.2 | Very high | 49 Ų | 49 | 62.8 Ų | 62.8 | 51% | 0.505 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -75.8 | 163.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | T457 | T457-G459 PolarHBondContact O-N 3.39Š|
| 460 | R | 85.5 | Confident | 93.3 | Very high | 194 Ų | 194 | 57 Ų | 57 | 73% | 0.732 | 32% | 0.322 | S | S | * | . | trans | -70.4 | 137 | 176.3 | -176.3 | 178.4 | 179.3 | 175.4 | 0.7 | 110.3 | N462 | R460-N462 PolarHBondContact O-N 3.38Å; R460-N462 VanDerWaalsContact O-N 3.1Å | ||
| 461 | N | 92 | Very high | 93.4 | Very high | 31 Ų | 31 | 65.9 Ų | 65.9 | 17% | 0.166 | 35% | 0.354 | C | S | . | . | trans | -62.9 | 112.3 | 165.8 | 179.8 | 8.1 | 0 | 0 | 0 | 109.2 | C416 N417 S418 Y463 | C416-N461 PolarHBondContact O-ND2 3.25Å; C416-N461 VanDerWaalsContact O-ND2 3.14Å; N417-N461 WeakPolarHBondContact CA-ND2 3.27Å; N417-N461 PolarHBondContact OD1-ND2 3.14Å; S418-N461 PolarHBondContact OG-OD1 3Å; N461-Y463 WeakPolarHBondContact OD1-CB 3.48Å; N461-Y463 PolarHBondContact OD1-N 3.37Å | ||
| 462 | N | 93.8 | Very high | 93.5 | Very high | 57 Ų | 57 | 65.1 Ų | 65.1 | 31% | 0.305 | 35% | 0.347 | S | S | . | . | trans | -89.1 | -12.3 | -176.8 | -73.6 | -38.4 | 0 | 0 | 0 | 113.4 | R460 T465 I466 I517 | R460-N462 PolarHBondContact O-N 3.38Å; R460-N462 VanDerWaalsContact O-N 3.1Å; N462-T465 WeakPolarHBondContact O-CB 3.49Å; N462-T465 PolarHBondContact O-N 2.83Å; N462-I466 HydrophobicContact CB-CD1 4.28Å; N462-I466 WeakPolarHBondContact O-CG1 3.39Å; N462-I466 PolarHBondContact O-N 2.91Å; N462-I517 HydrophobicContact CB-CG2 3.49Å; N462-I517 VanDerWaalsContact CB-CG2 3.49Å | ||
| 463 | Y | 96.2 | Very high | 93.5 | Very high | 13 Ų | 13 | 67.3 Ų | 67.3 | 5% | 0.051 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -55.3 | -43.2 | -177.5 | -179.9 | -113.9 | 0 | 0 | 0 | 113.4 | L237 M381 C416 N461 T465 I466 R467 | L237-Y463 HydrophobicContact CD2-CE2 3.58Å; L237-Y463 VanDerWaalsContact CD2-OH 3.29Å; L237-Y463 WeakPolarHBondContact CD2-OH 3.18Å; M381-Y463 VanDerWaalsContact O-CE1 3.3Å; M381-Y463 WeakPolarHBondContact O-CE1 3.32Å; M381-Y463 PolarHBondContact O-OH 3.41Å; C416-Y463 HydrophobicContact CB-CD1 4.18Å; C416-Y463 HydrophobicContact CB-CE1 4.23Å; C416-Y463 WeakPolarHBondContact O-CB 3.3Å; C416-Y463 VanDerWaalsContact O-CD1 3.3Å; C416-Y463 WeakPolarHBondContact O-CD1 3.43Å; N461-Y463 WeakPolarHBondContact OD1-CB 3.48Å; N461-Y463 PolarHBondContact OD1-N 3.37Å; Y463-T465 VanDerWaalsContact C-N 3.28Å; Y463-T465 PolarHBondContact O-N 2.95Å; Y463-I466 PolarHBondContact O-N 3.34Å; Y463-I466 VanDerWaalsContact O-N 3.17Å; Y463-R467 HydrophobicContact CE2-CB 4.39Å; Y463-R467 VanDerWaalsContact O-CB 3.3Å; Y463-R467 WeakPolarHBondContact O-CB 3.4Å; Y463-R467 PolarHBondContact O-N 2.98Å |
| 464 | P | 96.7 | Very high | 93.4 | Very high | 60 Ų | 60 | 70 Ų | 70 | 39% | 0.39 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.6 | -38 | 175.4 | -26.1 | 35.7 | 0 | 0 | 0 | 113.5 | K468 | P464-K468 VanDerWaalsContact O-CB 3.32Å; P464-K468 WeakPolarHBondContact O-CB 3.45Å; P464-K468 PolarHBondContact O-N 2.9Å |
| 465 | T | 96.5 | Very high | 93.3 | Very high | 45 Ų | 45 | 72.5 Ų | 72.5 | 28% | 0.276 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.8 | -45.1 | 176.5 | -56.6 | 0 | 0 | 0 | 0 | 111 | N462 Y463 T469 I517 | N462-T465 WeakPolarHBondContact O-CB 3.49Å; N462-T465 PolarHBondContact O-N 2.83Å; Y463-T465 VanDerWaalsContact C-N 3.28Å; Y463-T465 PolarHBondContact O-N 2.95Å; T465-T469 VanDerWaalsContact O-CB 3.26Å; T465-T469 WeakPolarHBondContact O-CB 3.37Å; T465-T469 PolarHBondContact O-N 2.96Å; T465-T469 PolarHBondContact O-OG1 3.17Å; T465-I517 HydrophobicContact CG2-CD1 4.22Å |
| 466 | I | 97.9 | Very high | 93 | Very high | 17 Ų | 17 | 78.3 Ų | 78.3 | 9% | 0.087 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.5 | -52.7 | 177.9 | -65.2 | 165.2 | 0 | 0 | 0 | 109.7 | N462 Y463 K468 T469 L470 L472 L495 V514 I517 L518 | N462-I466 HydrophobicContact CB-CD1 4.28Å; N462-I466 WeakPolarHBondContact O-CG1 3.39Å; N462-I466 PolarHBondContact O-N 2.91Å; Y463-I466 PolarHBondContact O-N 3.34Å; Y463-I466 VanDerWaalsContact O-N 3.17Å; I466-K468 VanDerWaalsContact C-N 3.33Å; I466-K468 PolarHBondContact O-N 3.2Å; I466-T469 PolarHBondContact O-N 3.01Å; I466-L470 HydrophobicContact CG2-CD1 3.84Å; I466-L470 WeakPolarHBondContact O-CB 3.49Å; I466-L470 PolarHBondContact O-N 2.79Å; I466-L472 HydrophobicContact CG2-CD1 3.93Å; I466-L495 HydrophobicContact CG2-CD1 3.72Å; I466-V514 HydrophobicContact CB-CG2 4.31Å; I466-V514 HydrophobicContact CG1-CG2 3.95Å; I466-V514 HydrophobicContact CG2-CG2 4.33Å; I466-I517 HydrophobicContact CD1-CG2 3.91Å; I466-I517 HydrophobicContact CG1-CG2 4.03Å; I466-L518 HydrophobicContact CD1-CD2 3.95Å; I466-L518 HydrophobicContact CG1-CD2 4.49Å; I466-L518 HydrophobicContact CG2-CD2 4.29Å |
| 467 | R | 97.7 | Very high | 93.2 | Very high | 70 Ų | 70 | 76.5 Ų | 76.5 | 26% | 0.264 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -54.7 | -46.4 | 179.3 | -177.9 | 175.5 | 68.1 | 85.7 | -8.7 | 112 | M381 S382 Y463 R471 L472 W473 | M381-R467 WeakPolarHBondContact O-CD 3.39Å; S382-R467 PolarHBondContact O-NE 3.13Å; S382-R467 VanDerWaalsContact O-NE 3.16Å; S382-R467 PolarHBondContact O-NH2 3.2Å; Y463-R467 HydrophobicContact CE2-CB 4.39Å; Y463-R467 VanDerWaalsContact O-CB 3.3Å; Y463-R467 WeakPolarHBondContact O-CB 3.4Å; Y463-R467 PolarHBondContact O-N 2.98Å; R467-R471 VanDerWaalsContact O-CA 3.32Å; R467-R471 WeakPolarHBondContact O-CA 3.29Å; R467-R471 PolarHBondContact O-N 2.86Å; R467-L472 HydrophobicContact CG-CB 4.21Å; R467-L472 PolarHBondContact O-N 2.9Å; R467-W473 HydrophobicContact CG-CB 4.04Å |
| 468 | K | 97.5 | Very high | 93.8 | Very high | 173 Ų | 173 | 75.2 Ų | 75.2 | 75% | 0.752 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -68.1 | -49.5 | 178.8 | -176.2 | 177.7 | 179 | 177.6 | 0 | 112.2 | P464 I466 L470 R471 | P464-K468 VanDerWaalsContact O-CB 3.32Å; P464-K468 WeakPolarHBondContact O-CB 3.45Å; P464-K468 PolarHBondContact O-N 2.9Å; I466-K468 VanDerWaalsContact C-N 3.33Å; I466-K468 PolarHBondContact O-N 3.2Å; K468-L470 PolarHBondContact O-N 2.81Å; K468-R471 PolarHBondContact O-N 3.37Å |
| 469 | T | 97.6 | Very high | 94.7 | Very high | 73 Ų | 73 | 73 Ų | 73 | 45% | 0.448 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.2 | -42 | -175 | -55.5 | 0 | 0 | 0 | 0 | 111.6 | T465 I466 V514 | T465-T469 VanDerWaalsContact O-CB 3.26Å; T465-T469 WeakPolarHBondContact O-CB 3.37Å; T465-T469 PolarHBondContact O-N 2.96Å; T465-T469 PolarHBondContact O-OG1 3.17Å; I466-T469 PolarHBondContact O-N 3.01Å; T469-V514 HydrophobicContact CG2-CB 4.06Å; T469-V514 HydrophobicContact CG2-CG1 3.86Å |
| 470 | L | 98 | Very high | 95.6 | Very high | 3 Ų | 3 | 76 Ų | 76 | 2% | 0.016 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 0.7 | -179.5 | -61.3 | -178.1 | 0 | 0 | 0 | 113.1 | I466 K468 L472 L495 R498 L499 L502 I511 V514 | I466-L470 HydrophobicContact CG2-CD1 3.84Å; I466-L470 WeakPolarHBondContact O-CB 3.49Å; I466-L470 PolarHBondContact O-N 2.79Å; K468-L470 PolarHBondContact O-N 2.81Å; L470-L472 VanDerWaalsContact C-N 3.33Å; L470-L472 HydrophobicContact CB-CD1 4.43Å; L470-L472 HydrophobicContact CB-CD2 3.6Å; L470-L472 HydrophobicContact CB-CG 3.8Å; L470-L472 HydrophobicContact CD1-CD2 4.43Å; L470-L472 PolarHBondContact O-N 2.88Å; L470-L495 HydrophobicContact CD1-CD2 4.36Å; L470-L495 HydrophobicContact CD1-CG 4.01Å; L470-R498 HydrophobicContact CB-CG 4.13Å; L470-R498 VanDerWaalsContact O-CD 3.31Å; L470-R498 WeakPolarHBondContact O-CD 3.12Å; L470-R498 VanDerWaalsContact O-CG 3.25Å; L470-R498 WeakPolarHBondContact O-CG 3.31Å; L470-R498 PolarHBondContact O-NE 3.1Å; L470-L499 HydrophobicContact CD1-CD2 4.19Å; L470-L499 HydrophobicContact CD2-CD2 4.4Å; L470-L502 HydrophobicContact CD2-CD1 3.66Å; L470-I511 HydrophobicContact CD2-CD1 4.14Å; L470-I511 HydrophobicContact CD2-CG2 4.44Å; L470-V514 HydrophobicContact CD1-CG2 4.16Å; L470-V514 HydrophobicContact CD2-CG1 3.75Å; L470-V514 HydrophobicContact CD2-CG2 4.5Å; L470-V514 HydrophobicContact CG-CG1 4.24Å; L470-V514 HydrophobicContact CG-CG2 4.09Å |
| 471 | R | 97.7 | Very high | 96.1 | Very high | 189 Ų | 189 | 72 Ų | 72 | 71% | 0.713 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 53.6 | -176.7 | -56.1 | -177.6 | -178.1 | -168.8 | -0.5 | 111.7 | R467 K468 W473 R498 | R467-R471 VanDerWaalsContact O-CA 3.32Å; R467-R471 WeakPolarHBondContact O-CA 3.29Å; R467-R471 PolarHBondContact O-N 2.86Å; K468-R471 PolarHBondContact O-N 3.37Å; R471-W473 VanDerWaalsContact C-N 3.26Å; R471-W473 PolarHBondContact O-N 3.19Å; R471-R498 PolarHBondContact O-NH2 3.43Å |
| 472 | L | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 36% | 0.358 | C | S | . | . | trans | -79.5 | -8.7 | -177.5 | -54.8 | -177.9 | 0 | 0 | 0 | 113.3 | I466 R467 L470 Y492 A493 L495 R498 | I466-L472 HydrophobicContact CG2-CD1 3.93Å; R467-L472 HydrophobicContact CG-CB 4.21Å; R467-L472 PolarHBondContact O-N 2.9Å; L470-L472 VanDerWaalsContact C-N 3.33Å; L470-L472 HydrophobicContact CB-CD1 4.43Å; L470-L472 HydrophobicContact CB-CD2 3.6Å; L470-L472 HydrophobicContact CB-CG 3.8Å; L470-L472 HydrophobicContact CD1-CD2 4.43Å; L470-L472 PolarHBondContact O-N 2.88Å; L472-Y492 HydrophobicContact CB-CD2 4.25Å; L472-Y492 HydrophobicContact CB-CE2 3.82Å; L472-Y492 HydrophobicContact CD1-CE2 4.31Å; L472-Y492 CarbonylContact O-C 3.52Å; L472-Y492 VanDerWaalsContact O-CA 3.3Å; L472-Y492 WeakPolarHBondContact O-CA 3.11Å; L472-Y492 WeakPolarHBondContact O-CD2 3.2Å; L472-A493 WeakPolarHBondContact CD2-O 3.43Å; L472-A493 PolarHBondContact O-N 3.18Å; L472-L495 HydrophobicContact CD1-CB 3.94Å; L472-L495 HydrophobicContact CD1-CD1 3.84Å; L472-L495 HydrophobicContact CD1-CG 3.94Å; L472-L495 HydrophobicContact CD2-CB 4.15Å; L472-L495 HydrophobicContact CD2-CG 4.4Å; L472-R498 HydrophobicContact CD2-CB 4.02Å; L472-R498 HydrophobicContact CD2-CG 4.13Å | ||
| 473 | W | 97.8 | Very high | 96.4 | Very high | 45 Ų | 45 | 75.1 Ų | 75.1 | 17% | 0.17 | 38% | 0.378 | C | S | . | . | B | Isolated β-bridge | trans | -128.7 | 137.1 | 179.6 | -172.8 | -93.4 | 0 | 0 | 0 | 110.6 | Q378 M381 R467 R471 D475 G491 | Q378-W473 HydrophobicContact CB-CH2 3.85Å; Q378-W473 HydrophobicContact CG-CH2 4.09Å; M381-W473 HydrophobicContact CB-CE3 4.26Å; M381-W473 HydrophobicContact CB-CZ3 3.88Å; R467-W473 HydrophobicContact CG-CB 4.04Å; R471-W473 VanDerWaalsContact C-N 3.26Å; R471-W473 PolarHBondContact O-N 3.19Å; W473-D475 PolarHBondContact NE1-OD1 3.46Å; W473-G491 CarbonylContact C-O 3.55Å; W473-G491 WeakPolarHBondContact CA-O 3.42Å |
| 474 | M | 96.3 | Very high | 96.4 | Very high | 57 Ų | 57 | 75.4 Ų | 75.4 | 28% | 0.281 | 38% | 0.381 | S | S | . | . | trans | -134.9 | 127.4 | 174.4 | -71.5 | -172.3 | 56.5 | 0 | 0 | 109.4 | V477 D484 S486 G491 | M474-V477 HydrophobicContact CB-CG2 3.84Å; M474-D484 HydrophobicContact CE-CB 4.29Å; M474-D484 HydrophobicContact SD-CB 3.51Å; M474-D484 VanDerWaalsContact SD-CB 3.51Å; M474-S486 PolarHBondContact SD-OG 2.84Å; M474-S486 VanDerWaalsContact SD-OG 3.33Å; M474-G491 PolarHBondContact N-O 3Å; M474-G491 VanDerWaalsContact O-CA 3.27Å; M474-G491 WeakPolarHBondContact O-CA 3.41Å | ||
| 475 | D | 92.7 | Very high | 96.4 | Very high | 136 Ų | 136 | 72.6 Ų | 72.6 | 73% | 0.727 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -78.6 | -40.9 | -179.2 | -57.2 | -62.6 | 0 | 0 | 0 | 111.9 | W473 V477 | W473-D475 PolarHBondContact NE1-OD1 3.46Å; D475-V477 PolarHBondContact O-N 3.08Å |
| 476 | D | 92 | Very high | 96.5 | Very high | 155 Ų | 155 | 70.5 Ų | 70.5 | 83% | 0.829 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -100.4 | 70.4 | -174.4 | -61.7 | -49.1 | 0 | 0 | 0 | 112.6 | ||
| 477 | V | 95.7 | Very high | 96.5 | Very high | 33 Ų | 33 | 70.1 Ų | 70.1 | 20% | 0.2 | 35% | 0.347 | C | S | . | . | trans | -88.3 | 122.5 | 178.7 | 176.5 | 0 | 0 | 0 | 0 | 111.5 | M474 D475 E479 | M474-V477 HydrophobicContact CB-CG2 3.84Å; D475-V477 PolarHBondContact O-N 3.08Å; V477-E479 HydrophobicContact CG1-CG 4.32Å; V477-E479 PolarHBondContact O-N 2.87Å | ||
| 478 | N | 96.3 | Very high | 96.6 | Very high | 84 Ų | 84 | 66.8 Ų | 66.8 | 45% | 0.449 | 34% | 0.335 | S | S | . | . | trans | -87.9 | 98.7 | 168.7 | -172.8 | -24.4 | 0 | 0 | 0 | 110.5 | Q480 N481 P482 | N478-Q480 VanDerWaalsContact C-N 3.29Å; N478-Q480 PolarHBondContact O-N 2.99Å; N478-Q480 PolarHBondContact OD1-N 3.43Å; N478-Q480 VanDerWaalsContact OD1-N 3.14Å; N478-N481 CarbonylContact O-C 3.56Å; N478-N481 PolarHBondContact O-N 3.49Å; N478-N481 PolarHBondContact OD1-N 3.35Å; N478-P482 WeakPolarHBondContact O-CA 3.41Å | ||
| 479 | E | 96.1 | Very high | 96.6 | Very high | 49 Ų | 49 | 58.6 Ų | 58.6 | 23% | 0.229 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -68 | -25.9 | -177 | -63.5 | 166.7 | 153.3 | 0 | 0 | 113.9 | N303 N305 V477 S490 | N303-E479 HydrophobicContact CB-CB 4Å; N303-E479 HydrophobicContact CB-CG 4.45Å; N305-E479 HydrophobicContact CB-CB 4.38Å; N305-E479 WeakPolarHBondContact CB-OE2 3.25Å; N305-E479 PolarHBondContact ND2-OE2 3.47Å; V477-E479 HydrophobicContact CG1-CG 4.32Å; V477-E479 PolarHBondContact O-N 2.87Å; E479-S490 WeakPolarHBondContact OE1-CB 3.24Å; E479-S490 PolarHBondContact OE1-OG 3.37Å |
| 480 | Q | 95.4 | Very high | 96.6 | Very high | 111 Ų | 111 | 56.2 Ų | 56.2 | 52% | 0.519 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -79.2 | -36.8 | 178.3 | -65.3 | -165.8 | 14.7 | 0 | 0 | 112.3 | A306 N478 | A306-Q480 HydrophobicContact CB-CG 4.46Å; N478-Q480 VanDerWaalsContact C-N 3.29Å; N478-Q480 PolarHBondContact O-N 2.99Å; N478-Q480 PolarHBondContact OD1-N 3.43Å; N478-Q480 VanDerWaalsContact OD1-N 3.14Å |
| 481 | N | 95.4 | Very high | 96.6 | Very high | 110 Ų | 110 | 56.1 Ų | 56.1 | 59% | 0.588 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -134.2 | 73.4 | -179.2 | -58.9 | -75.2 | 0 | 0 | 0 | 109.2 | N478 | N478-N481 CarbonylContact O-C 3.56Å; N478-N481 PolarHBondContact O-N 3.49Å; N478-N481 PolarHBondContact OD1-N 3.35Å |
| 482 | P | 96.7 | Very high | 96.6 | Very high | 35 Ų | 35 | 47.1 Ų | 47.1 | 23% | 0.227 | 25% | 0.251 | C | S | . | . | trans | -71.8 | 144 | -173.5 | 29 | -35.7 | 0 | 0 | 0 | 112.1 | N478 Y487 F563 | N478-P482 WeakPolarHBondContact O-CA 3.41Å; P482-Y487 HydrophobicContact CB-CD1 3.78Å; P482-Y487 HydrophobicContact CB-CD2 4.08Å; P482-Y487 HydrophobicContact CB-CG 3.46Å; P482-Y487 VanDerWaalsContact CB-CG 3.46Å; P482-Y487 HydrophobicContact CG-CD1 4.06Å; P482-Y487 HydrophobicContact CG-CD2 3.9Å; P482-Y487 HydrophobicContact CG-CE1 4.46Å; P482-Y487 HydrophobicContact CG-CE2 4.36Å; P482-Y487 HydrophobicContact CG-CG 3.76Å; P482-F563 HydrophobicContact CB-CE2 4.35Å; P482-F563 HydrophobicContact CG-CD2 4.47Å; P482-F563 HydrophobicContact CG-CE2 3.91Å; P482-F563 WeakPolarHBondContact O-CZ 3.46Å | ||
| 483 | T | 95.1 | Very high | 96.7 | Very high | 119 Ų | 119 | 47.1 Ų | 47.1 | 73% | 0.73 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -111.4 | -7.8 | 177.4 | 54.9 | 0 | 0 | 0 | 0 | 113 | ||
| 484 | D | 96.8 | Very high | 96.7 | Very high | 20 Ų | 20 | 45 Ų | 45 | 11% | 0.107 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -145.8 | 157 | 179.7 | -177 | 75.6 | 0 | 0 | 0 | 109.4 | M474 S486 Y487 R498 | M474-D484 HydrophobicContact CE-CB 4.29Å; M474-D484 HydrophobicContact SD-CB 3.51Å; M474-D484 VanDerWaalsContact SD-CB 3.51Å; D484-S486 PolarHBondContact O-N 2.59Å; D484-S486 VanDerWaalsContact O-N 3.1Å; D484-S486 WeakPolarHBondContact OD2-CB 3.25Å; D484-S486 PolarHBondContact OD2-N 3.05Å; D484-S486 PolarHBondContact OD2-OG 2.99Å; D484-Y487 VanDerWaalsContact O-CD1 3.27Å; D484-Y487 WeakPolarHBondContact O-CD1 3.19Å; D484-Y487 PolarHBondContact O-N 3.36Å; D484-R498 VanDerWaalsContact CG-NH2 3.33Å; D484-R498 IonicContact OD1-CZ 2.76Å; D484-R498 IonicContact OD1-NH1 2.82Å; D484-R498 PolarHBondContact OD1-NH1 3.13Å; D484-R498 IonicContact OD1-NH2 3.55Å; D484-R498 PolarHBondContact OD1-NH2 3.27Å; D484-R498 IonicContact OD2-CZ 3.76Å; D484-R498 IonicContact OD2-NH2 3.2Å; D484-R498 PolarHBondContact OD2-NH2 2.78Å |
| 485 | I | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -61.6 | -12.7 | 178.4 | 53.8 | 170.5 | 0 | 0 | 0 | 114.3 | Y487 V488 A493 V497 R498 A560 F563 L564 | I485-Y487 PolarHBondContact O-N 3.45Å; I485-Y487 VanDerWaalsContact O-N 3.11Å; I485-V488 WeakPolarHBondContact O-CG2 3.42Å; I485-V488 PolarHBondContact O-N 2.86Å; I485-A493 HydrophobicContact CD1-CB 4.07Å; I485-A493 HydrophobicContact CG1-CB 3.79Å; I485-V497 HydrophobicContact CD1-CB 4.08Å; I485-V497 HydrophobicContact CD1-CG1 3.82Å; I485-V497 HydrophobicContact CG2-CG1 4.37Å; I485-R498 HydrophobicContact CD1-CB 4.28Å; I485-A560 HydrophobicContact CB-CB 3.95Å; I485-A560 HydrophobicContact CG2-CB 3.91Å; I485-F563 HydrophobicContact CG2-CD1 3.78Å; I485-F563 HydrophobicContact CG2-CE1 4.4Å; I485-L564 HydrophobicContact CG2-CD1 4.14Å; I485-L564 HydrophobicContact CG2-CD2 3.67Å; I485-L564 HydrophobicContact CG2-CG 3.63Å |
| 486 | S | 98.2 | Very high | 97.1 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.014 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -58.5 | -17.8 | 174.8 | 55.6 | 0 | 0 | 0 | 0 | 115.1 | M474 D484 V488 Y489 S490 G491 Y492 | M474-S486 PolarHBondContact SD-OG 2.84Å; M474-S486 VanDerWaalsContact SD-OG 3.33Å; D484-S486 PolarHBondContact O-N 2.59Å; D484-S486 VanDerWaalsContact O-N 3.1Å; D484-S486 WeakPolarHBondContact OD2-CB 3.25Å; D484-S486 PolarHBondContact OD2-N 3.05Å; D484-S486 PolarHBondContact OD2-OG 2.99Å; S486-V488 PolarHBondContact O-N 2.75Å; S486-Y489 PolarHBondContact O-N 3.05Å; S486-S490 PolarHBondContact O-N 3.18Å; S486-S490 VanDerWaalsContact O-N 3.12Å; S486-G491 WeakPolarHBondContact CB-O 3.47Å; S486-G491 PolarHBondContact O-N 2.55Å; S486-Y492 WeakPolarHBondContact CA-O 3.1Å |
| 487 | Y | 98.5 | Very high | 97.4 | Very high | 8 Ų | 8 | 29 Ų | 29 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -62.6 | -24.6 | 179.2 | 86.4 | -81.2 | 0 | 0 | 0 | 114.8 | T245 D301 N303 P482 D484 I485 Y489 S490 F563 | T245-Y487 HydrophobicContact CG2-CE2 4.48Å; D301-Y487 WeakPolarHBondContact O-CE2 3.26Å; D301-Y487 PolarHBondContact O-OH 3.15Å; N303-Y487 HydrophobicContact CB-CD2 3.95Å; N303-Y487 PolarHBondContact ND2-O 3.31Å; P482-Y487 HydrophobicContact CB-CD1 3.78Å; P482-Y487 HydrophobicContact CB-CD2 4.08Å; P482-Y487 HydrophobicContact CB-CG 3.46Å; P482-Y487 VanDerWaalsContact CB-CG 3.46Å; P482-Y487 HydrophobicContact CG-CD1 4.06Å; P482-Y487 HydrophobicContact CG-CD2 3.9Å; P482-Y487 HydrophobicContact CG-CE1 4.46Å; P482-Y487 HydrophobicContact CG-CE2 4.36Å; P482-Y487 HydrophobicContact CG-CG 3.76Å; D484-Y487 VanDerWaalsContact O-CD1 3.27Å; D484-Y487 WeakPolarHBondContact O-CD1 3.19Å; D484-Y487 PolarHBondContact O-N 3.36Å; I485-Y487 PolarHBondContact O-N 3.45Å; I485-Y487 VanDerWaalsContact O-N 3.11Å; Y487-Y489 PolarHBondContact O-N 3.45Å; Y487-S490 PolarHBondContact O-N 3.07Å; Y487-F563 HydrophobicContact CE1-CB 3.94Å; Y487-F563 HydrophobicContact CE1-CD1 4.28Å; Y487-F563 AromaticContact CE1-CD2 3.91Å; Y487-F563 HydrophobicContact CE1-CD2 3.91Å; Y487-F563 AromaticContact CE1-CG 3.77Å; Y487-F563 HydrophobicContact CE1-CG 3.77Å |
| 488 | V | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -69.1 | -17.9 | -178.6 | -60.8 | 0 | 0 | 0 | 0 | 113.1 | L244 T245 I485 S486 P494 A556 A559 A560 | L244-V488 WeakPolarHBondContact CB-O 3.28Å; L244-V488 PolarHBondContact N-O 3.36Å; T245-V488 HydrophobicContact CG2-CB 3.79Å; T245-V488 HydrophobicContact CG2-CG1 3.69Å; I485-V488 WeakPolarHBondContact O-CG2 3.42Å; I485-V488 PolarHBondContact O-N 2.86Å; S486-V488 PolarHBondContact O-N 2.75Å; V488-P494 HydrophobicContact CG2-CG 3.76Å; V488-A556 HydrophobicContact CB-CB 4.14Å; V488-A556 HydrophobicContact CG2-CB 4.33Å; V488-A559 HydrophobicContact CG1-CB 4.22Å; V488-A560 HydrophobicContact CG1-CB 4.08Å; V488-A560 HydrophobicContact CG2-CB 4.32Å |
| 489 | Y | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.008 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -129.1 | 18.2 | 173.5 | -65.9 | -84.6 | 0 | 0 | 0 | 112.3 | T238 A241 T242 Q243 S486 Y487 G491 Y492 P494 A556 | T238-Y489 HydrophobicContact CG2-CE2 3.92Å; T238-Y489 VanDerWaalsContact CG2-OH 3.32Å; T238-Y489 WeakPolarHBondContact CG2-OH 3.49Å; T238-Y489 PolarHBondContact O-OH 3.38Å; T238-Y489 VanDerWaalsContact O-OH 3.08Å; A241-Y489 HydrophobicContact CB-CD1 3.79Å; A241-Y489 HydrophobicContact CB-CE1 3.64Å; T242-Y489 WeakPolarHBondContact O-CD1 3.16Å; T242-Y489 WeakPolarHBondContact O-CE1 3.42Å; Q243-Y489 HydrophobicContact CG-CE1 4.25Å; S486-Y489 PolarHBondContact O-N 3.05Å; Y487-Y489 PolarHBondContact O-N 3.45Å; Y489-G491 VanDerWaalsContact C-N 3.26Å; Y489-G491 PolarHBondContact O-N 2.97Å; Y489-Y492 HydrophobicContact CD2-CD1 4.07Å; Y489-Y492 HydrophobicContact CG-CD1 4.31Å; Y489-P494 HydrophobicContact CD2-CG 3.96Å; Y489-P494 HydrophobicContact CE2-CG 3.68Å; Y489-A556 HydrophobicContact CE1-CB 4.43Å; Y489-A556 HydrophobicContact CE2-CB 3.6Å; Y489-A556 WeakPolarHBondContact OH-CB 3.4Å |
| 490 | S | 97.6 | Very high | 97.7 | Very high | 23 Ų | 23 | 21.9 Ų | 21.9 | 16% | 0.161 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | 42.9 | 179.2 | -59.1 | 0 | 0 | 0 | 0 | 114.1 | L244 N303 E479 S486 Y487 | L244-S490 WeakPolarHBondContact CD1-OG 3.43Å; N303-S490 PolarHBondContact ND2-OG 2.84Å; E479-S490 WeakPolarHBondContact OE1-CB 3.24Å; E479-S490 PolarHBondContact OE1-OG 3.37Å; S486-S490 PolarHBondContact O-N 3.18Å; S486-S490 VanDerWaalsContact O-N 3.12Å; Y487-S490 PolarHBondContact O-N 3.07Å |
| 491 | G | 97.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 150 | -38.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | W473 M474 S486 Y489 | W473-G491 CarbonylContact C-O 3.55Å; W473-G491 WeakPolarHBondContact CA-O 3.42Å; M474-G491 PolarHBondContact N-O 3Å; M474-G491 VanDerWaalsContact O-CA 3.27Å; M474-G491 WeakPolarHBondContact O-CA 3.41Å; S486-G491 WeakPolarHBondContact CB-O 3.47Å; S486-G491 PolarHBondContact O-N 2.55Å; Y489-G491 VanDerWaalsContact C-N 3.26Å; Y489-G491 PolarHBondContact O-N 2.97Å |
| 492 | Y | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.085 | C | C | . | . | B | Isolated β-bridge | trans | -92.7 | 122.5 | -179.3 | 178.9 | -101.3 | 0 | 0 | 0 | 112.7 | L237 T238 M381 L472 S486 Y489 L495 | L237-Y492 HydrophobicContact CD2-CD2 4.37Å; L237-Y492 HydrophobicContact CD2-CE2 3.53Å; T238-Y492 WeakPolarHBondContact OG1-CE1 3.42Å; T238-Y492 PolarHBondContact OG1-OH 3.3Å; M381-Y492 HydrophobicContact CB-CD2 4.46Å; M381-Y492 HydrophobicContact SD-CD1 4.05Å; M381-Y492 HydrophobicContact SD-CD2 4.24Å; M381-Y492 HydrophobicContact SD-CG 3.78Å; L472-Y492 HydrophobicContact CB-CD2 4.25Å; L472-Y492 HydrophobicContact CB-CE2 3.82Å; L472-Y492 HydrophobicContact CD1-CE2 4.31Å; L472-Y492 CarbonylContact O-C 3.52Å; L472-Y492 VanDerWaalsContact O-CA 3.3Å; L472-Y492 WeakPolarHBondContact O-CA 3.11Å; L472-Y492 WeakPolarHBondContact O-CD2 3.2Å; S486-Y492 WeakPolarHBondContact CA-O 3.1Å; Y489-Y492 HydrophobicContact CD2-CD1 4.07Å; Y489-Y492 HydrophobicContact CG-CD1 4.31Å; Y492-L495 PolarHBondContact OH-N 3.37Å |
| 493 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.079 | C | C | . | . | P | Polyproline II helix | trans | -87.8 | 122.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | L472 I485 L495 | L472-A493 WeakPolarHBondContact CD2-O 3.43Å; L472-A493 PolarHBondContact O-N 3.18Å; I485-A493 HydrophobicContact CD1-CB 4.07Å; I485-A493 HydrophobicContact CG1-CB 3.79Å; A493-L495 PolarHBondContact O-N 3.04Å |
| 494 | P | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.058 | C | C | . | . | P | Polyproline II helix | trans | -53.4 | 123.8 | 179.3 | -30.4 | 38.9 | 0 | 0 | 0 | 112.1 | T238 V488 Y489 S496 V497 R498 E557 | T238-P494 HydrophobicContact CG2-CB 3.86Å; T238-P494 HydrophobicContact CG2-CG 4.17Å; V488-P494 HydrophobicContact CG2-CG 3.76Å; Y489-P494 HydrophobicContact CD2-CG 3.96Å; Y489-P494 HydrophobicContact CE2-CG 3.68Å; P494-S496 VanDerWaalsContact C-N 3.3Å; P494-S496 PolarHBondContact O-N 3Å; P494-V497 HydrophobicContact CB-CB 4.01Å; P494-V497 HydrophobicContact CB-CG2 3.81Å; P494-V497 HydrophobicContact CG-CG2 4.44Å; P494-V497 PolarHBondContact O-N 3.49Å; P494-V497 VanDerWaalsContact O-N 3.17Å; P494-R498 WeakPolarHBondContact O-CB 3.09Å; P494-R498 PolarHBondContact O-N 3.24Å; P494-E557 HydrophobicContact CB-CG 3.99Å; P494-E557 HydrophobicContact CG-CG 4.4Å |
| 495 | L | 98.7 | Very high | 97.3 | Very high | 9 Ų | 9 | 18 Ų | 18 | 5% | 0.047 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -58.1 | -46.9 | -176.5 | -174.3 | 165.5 | 0 | 0 | 0 | 110.5 | V234 D235 I466 L470 L472 Y492 A493 V497 R498 L499 L518 | V234-L495 HydrophobicContact CG1-CD2 4.18Å; D235-L495 HydrophobicContact CB-CB 4.02Å; D235-L495 HydrophobicContact CB-CD2 4.12Å; D235-L495 HydrophobicContact CB-CG 4.47Å; D235-L495 WeakPolarHBondContact OD2-CB 3.44Å; D235-L495 PolarHBondContact OD2-N 2.99Å; I466-L495 HydrophobicContact CG2-CD1 3.72Å; L470-L495 HydrophobicContact CD1-CD2 4.36Å; L470-L495 HydrophobicContact CD1-CG 4.01Å; L472-L495 HydrophobicContact CD1-CB 3.94Å; L472-L495 HydrophobicContact CD1-CD1 3.84Å; L472-L495 HydrophobicContact CD1-CG 3.94Å; L472-L495 HydrophobicContact CD2-CB 4.15Å; L472-L495 HydrophobicContact CD2-CG 4.4Å; Y492-L495 PolarHBondContact OH-N 3.37Å; A493-L495 PolarHBondContact O-N 3.04Å; L495-V497 VanDerWaalsContact C-N 3.31Å; L495-V497 PolarHBondContact O-N 3.5Å; L495-R498 PolarHBondContact O-N 3.17Å; L495-L499 HydrophobicContact CD2-CD1 3.58Å; L495-L499 HydrophobicContact CD2-CG 3.84Å; L495-L499 WeakPolarHBondContact O-CG 3.35Å; L495-L499 PolarHBondContact O-N 3Å; L495-L518 HydrophobicContact CD1-CD2 3.9Å; L495-L518 HydrophobicContact CD2-CD1 4.1Å; L495-L518 HydrophobicContact CD2-CD2 4.18Å |
| 496 | S | 98.6 | Very high | 97.1 | Very high | 3 Ų | 3 | 22.8 Ų | 22.8 | 2% | 0.021 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -54.8 | -43.9 | 177.8 | 65.3 | 0 | 0 | 0 | 0 | 112.9 | D235 P494 L499 A500 E557 | D235-S496 PolarHBondContact OD2-N 2.88Å; P494-S496 VanDerWaalsContact C-N 3.3Å; P494-S496 PolarHBondContact O-N 3Å; S496-L499 WeakPolarHBondContact O-CB 3.47Å; S496-L499 PolarHBondContact O-N 3.07Å; S496-A500 PolarHBondContact O-N 3.07Å; S496-A500 VanDerWaalsContact O-N 3.17Å; S496-E557 WeakPolarHBondContact CB-OE1 3.4Å; S496-E557 PolarHBondContact OG-OE1 3.41Å |
| 497 | V | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -73.9 | -36.8 | -179.7 | -177.5 | 0 | 0 | 0 | 0 | 110.9 | I485 P494 L495 L499 A500 Q501 E557 A560 L561 L564 | I485-V497 HydrophobicContact CD1-CB 4.08Å; I485-V497 HydrophobicContact CD1-CG1 3.82Å; I485-V497 HydrophobicContact CG2-CG1 4.37Å; P494-V497 HydrophobicContact CB-CB 4.01Å; P494-V497 HydrophobicContact CB-CG2 3.81Å; P494-V497 HydrophobicContact CG-CG2 4.44Å; P494-V497 PolarHBondContact O-N 3.49Å; P494-V497 VanDerWaalsContact O-N 3.17Å; L495-V497 VanDerWaalsContact C-N 3.31Å; L495-V497 PolarHBondContact O-N 3.5Å; V497-L499 VanDerWaalsContact C-N 3.3Å; V497-L499 PolarHBondContact O-N 2.96Å; V497-A500 WeakPolarHBondContact O-CB 3.39Å; V497-A500 PolarHBondContact O-N 3.49Å; V497-A500 VanDerWaalsContact O-N 3.16Å; V497-Q501 PolarHBondContact O-N 3.42Å; V497-E557 HydrophobicContact CG2-CB 3.89Å; V497-E557 HydrophobicContact CG2-CG 3.99Å; V497-A560 HydrophobicContact CB-CB 4.33Å; V497-A560 HydrophobicContact CG1-CB 3.81Å; V497-A560 HydrophobicContact CG2-CB 4.14Å; V497-L561 HydrophobicContact CG1-CD2 3.83Å; V497-L561 HydrophobicContact CG1-CG 3.98Å; V497-L561 HydrophobicContact CG2-CG 4.1Å; V497-L564 HydrophobicContact CG1-CD1 3.66Å |
| 498 | R | 98.4 | Very high | 96.8 | Very high | 18 Ų | 18 | 24.2 Ų | 24.2 | 7% | 0.068 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.8 | -38.6 | 172.2 | -177.2 | 69.5 | 76.1 | -169.6 | -0.7 | 111.6 | L470 R471 L472 D484 I485 P494 L495 A500 Q501 L502 | L470-R498 HydrophobicContact CB-CG 4.13Å; L470-R498 VanDerWaalsContact O-CD 3.31Å; L470-R498 WeakPolarHBondContact O-CD 3.12Å; L470-R498 VanDerWaalsContact O-CG 3.25Å; L470-R498 WeakPolarHBondContact O-CG 3.31Å; L470-R498 PolarHBondContact O-NE 3.1Å; R471-R498 PolarHBondContact O-NH2 3.43Å; L472-R498 HydrophobicContact CD2-CB 4.02Å; L472-R498 HydrophobicContact CD2-CG 4.13Å; D484-R498 VanDerWaalsContact CG-NH2 3.33Å; D484-R498 IonicContact OD1-CZ 2.76Å; D484-R498 IonicContact OD1-NH1 2.82Å; D484-R498 PolarHBondContact OD1-NH1 3.13Å; D484-R498 IonicContact OD1-NH2 3.55Å; D484-R498 PolarHBondContact OD1-NH2 3.27Å; D484-R498 IonicContact OD2-CZ 3.76Å; D484-R498 IonicContact OD2-NH2 3.2Å; D484-R498 PolarHBondContact OD2-NH2 2.78Å; I485-R498 HydrophobicContact CD1-CB 4.28Å; P494-R498 WeakPolarHBondContact O-CB 3.09Å; P494-R498 PolarHBondContact O-N 3.24Å; L495-R498 PolarHBondContact O-N 3.17Å; R498-A500 VanDerWaalsContact C-N 3.34Å; R498-Q501 PolarHBondContact O-N 3.01Å; R498-L502 HydrophobicContact CG-CD1 3.84Å; R498-L502 HydrophobicContact CG-CG 4.38Å; R498-L502 WeakPolarHBondContact O-CB 3.39Å; R498-L502 VanDerWaalsContact O-CG 3.28Å; R498-L502 WeakPolarHBondContact O-CG 3.5Å; R498-L502 PolarHBondContact O-N 2.98Å |
| 499 | L | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.7 | -41.2 | 173.5 | -68 | 179.5 | 0 | 0 | 0 | 111.7 | K195 V234 L470 L495 S496 V497 L502 L503 W508 I511 L515 L518 | K195-L499 HydrophobicContact CG-CD1 4.49Å; V234-L499 HydrophobicContact CG1-CD1 3.73Å; L470-L499 HydrophobicContact CD1-CD2 4.19Å; L470-L499 HydrophobicContact CD2-CD2 4.4Å; L495-L499 HydrophobicContact CD2-CD1 3.58Å; L495-L499 HydrophobicContact CD2-CG 3.84Å; L495-L499 WeakPolarHBondContact O-CG 3.35Å; L495-L499 PolarHBondContact O-N 3Å; S496-L499 WeakPolarHBondContact O-CB 3.47Å; S496-L499 PolarHBondContact O-N 3.07Å; V497-L499 VanDerWaalsContact C-N 3.3Å; V497-L499 PolarHBondContact O-N 2.96Å; L499-L502 PolarHBondContact O-N 3.41Å; L499-L503 WeakPolarHBondContact O-CB 3.46Å; L499-L503 PolarHBondContact O-N 3.35Å; L499-W508 HydrophobicContact CB-CZ2 4.39Å; L499-W508 PolarHBondContact O-NE1 3.1Å; L499-I511 HydrophobicContact CD2-CD1 3.98Å; L499-L515 HydrophobicContact CD2-CD2 3.89Å; L499-L518 HydrophobicContact CD1-CD1 4.08Å; L499-L518 HydrophobicContact CD2-CD1 4.12Å |
| 500 | A | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.5 | -41.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L228 S496 V497 R498 L503 S504 I547 L561 Y574 | L228-A500 HydrophobicContact CD2-CB 3.78Å; S496-A500 PolarHBondContact O-N 3.07Å; S496-A500 VanDerWaalsContact O-N 3.17Å; V497-A500 WeakPolarHBondContact O-CB 3.39Å; V497-A500 PolarHBondContact O-N 3.49Å; V497-A500 VanDerWaalsContact O-N 3.16Å; R498-A500 VanDerWaalsContact C-N 3.34Å; A500-L503 PolarHBondContact O-N 3.23Å; A500-S504 PolarHBondContact O-N 2.87Å; A500-I547 HydrophobicContact CB-CD1 3.57Å; A500-L561 HydrophobicContact CB-CD2 4.11Å; A500-Y574 HydrophobicContact CB-CE1 4.39Å; A500-Y574 PolarHBondContact O-OH 2.93Å |
| 501 | Q | 96.8 | Very high | 96.5 | Very high | 47 Ų | 47 | 37.2 Ų | 37.2 | 22% | 0.22 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.8 | -49.8 | 174.6 | -171.1 | -173.9 | 26 | 0 | 0 | 111.2 | V497 R498 L503 S504 R505 L564 | V497-Q501 PolarHBondContact O-N 3.42Å; R498-Q501 PolarHBondContact O-N 3.01Å; Q501-L503 VanDerWaalsContact C-N 3.29Å; Q501-L503 PolarHBondContact O-N 2.94Å; Q501-S504 PolarHBondContact O-N 3.44Å; Q501-R505 PolarHBondContact O-N 2.66Å; Q501-L564 HydrophobicContact CB-CD1 3.78Å; Q501-L564 HydrophobicContact CG-CD1 4.12Å; Q501-L564 HydrophobicContact CG-CD2 3.96Å |
| 502 | L | 96.5 | Very high | 96.5 | Very high | 30 Ų | 30 | 41.1 Ų | 41.1 | 16% | 0.157 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.8 | -23.7 | -177.4 | -68.9 | 170.7 | 0 | 0 | 0 | 112.9 | L470 R498 L499 R505 G507 I511 | L470-L502 HydrophobicContact CD2-CD1 3.66Å; R498-L502 HydrophobicContact CG-CD1 3.84Å; R498-L502 HydrophobicContact CG-CG 4.38Å; R498-L502 WeakPolarHBondContact O-CB 3.39Å; R498-L502 VanDerWaalsContact O-CG 3.28Å; R498-L502 WeakPolarHBondContact O-CG 3.5Å; R498-L502 PolarHBondContact O-N 2.98Å; L499-L502 PolarHBondContact O-N 3.41Å; L502-R505 WeakPolarHBondContact CA-O 3.38Å; L502-R505 CarbonylContact O-C 3.51Å; L502-G507 CarbonylContact O-C 3.18Å; L502-G507 VanDerWaalsContact O-C 3.3Å; L502-G507 WeakPolarHBondContact O-CA 3.45Å; L502-G507 PolarHBondContact O-N 3.14Å; L502-I511 HydrophobicContact CB-CD1 3.99Å; L502-I511 HydrophobicContact CD1-CD1 3.94Å; L502-I511 HydrophobicContact CD1-CG2 4.17Å |
| 503 | L | 96.1 | Very high | 96.4 | Very high | 19 Ų | 19 | 47 Ų | 47 | 10% | 0.099 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.5 | -47.3 | 169.7 | -178.7 | 62.9 | 0 | 0 | 0 | 111 | F193 L228 L499 A500 Q501 G507 W508 | F193-L503 HydrophobicContact CB-CD1 4.31Å; F193-L503 HydrophobicContact CB-CD2 3.87Å; F193-L503 HydrophobicContact CD1-CD1 3.6Å; F193-L503 HydrophobicContact CD1-CD2 4.48Å; F193-L503 HydrophobicContact CD2-CD1 4.24Å; F193-L503 HydrophobicContact CD2-CD2 3.83Å; F193-L503 HydrophobicContact CD2-CG 4.48Å; F193-L503 HydrophobicContact CE1-CD1 3.87Å; F193-L503 HydrophobicContact CE2-CD1 4.48Å; F193-L503 HydrophobicContact CG-CD1 3.78Å; F193-L503 HydrophobicContact CG-CD2 3.8Å; F193-L503 HydrophobicContact CG-CG 4.38Å; F193-L503 HydrophobicContact CZ-CD1 4.31Å; L228-L503 HydrophobicContact CB-CD2 4.12Å; L228-L503 HydrophobicContact CD1-CD2 3.98Å; L228-L503 HydrophobicContact CD2-CD2 3.85Å; L228-L503 HydrophobicContact CG-CD2 4.18Å; L499-L503 WeakPolarHBondContact O-CB 3.46Å; L499-L503 PolarHBondContact O-N 3.35Å; A500-L503 PolarHBondContact O-N 3.23Å; Q501-L503 VanDerWaalsContact C-N 3.29Å; Q501-L503 PolarHBondContact O-N 2.94Å; L503-G507 WeakPolarHBondContact O-CA 3.04Å; L503-W508 HydrophobicContact CB-CG 4.45Å; L503-W508 HydrophobicContact CD1-CB 4.39Å; L503-W508 HydrophobicContact CD1-CD2 3.81Å; L503-W508 HydrophobicContact CD1-CE3 4.3Å; L503-W508 HydrophobicContact CD1-CG 3.81Å |
| 504 | S | 92.8 | Very high | 96.3 | Very high | 40 Ų | 40 | 47.2 Ų | 47.2 | 28% | 0.28 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67.1 | -43.3 | -179.8 | -65 | 0 | 0 | 0 | 0 | 111.8 | A500 Q501 T572 Y574 | A500-S504 PolarHBondContact O-N 2.87Å; Q501-S504 PolarHBondContact O-N 3.44Å; S504-T572 WeakPolarHBondContact CB-OG1 3.4Å; S504-T572 PolarHBondContact OG-OG1 2.95Å; S504-Y574 PolarHBondContact OG-OH 3.4Å |
| 505 | R | 88.5 | Confident | 96.3 | Very high | 177 Ų | 177 | 47.3 Ų | 47.3 | 67% | 0.668 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -154.2 | 126.3 | 176.1 | -169.9 | 174.5 | 179.1 | -175.7 | -2.4 | 110.9 | Q501 L502 | Q501-R505 PolarHBondContact O-N 2.66Å; L502-R505 WeakPolarHBondContact CA-O 3.38Å; L502-R505 CarbonylContact O-C 3.51Å |
| 506 | P | 92.1 | Very high | 96.2 | Very high | 100 Ų | 100 | 54.1 Ų | 54.1 | 65% | 0.649 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -91.5 | 5.3 | 5.2 | 37.4 | -36.3 | 0 | 0 | 0 | 114.5 | S510 | P506-S510 WeakPolarHBondContact CG-OG 3.36Š|
| 507 | G | 94.1 | Very high | 96.1 | Very high | 19 Ų | 19 | 56.4 Ų | 56.4 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | trans | 107.3 | 149.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L502 L503 R509 S510 | L502-G507 CarbonylContact O-C 3.18Å; L502-G507 VanDerWaalsContact O-C 3.3Å; L502-G507 WeakPolarHBondContact O-CA 3.45Å; L502-G507 PolarHBondContact O-N 3.14Å; L503-G507 WeakPolarHBondContact O-CA 3.04Å; G507-R509 PolarHBondContact O-N 3.42Å; G507-R509 VanDerWaalsContact O-N 3.11Å; G507-S510 WeakPolarHBondContact O-CB 3.27Å; G507-S510 PolarHBondContact O-N 3.4Å; G507-S510 PolarHBondContact O-OG 3.4Å | ||
| 508 | W | 97.3 | Very high | 96 | Very high | 21 Ų | 21 | 56.8 Ų | 56.8 | 8% | 0.08 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -62.4 | -19.7 | -174.5 | -84 | 4.9 | 0 | 0 | 0 | 115.8 | F193 G194 K195 L228 L230 L499 L503 S510 I511 E512 L515 H522 | F193-W508 HydrophobicContact CB-CZ3 4.34Å; G194-W508 WeakPolarHBondContact O-CZ3 3.27Å; K195-W508 HydrophobicContact CB-CH2 3.73Å; K195-W508 HydrophobicContact CB-CZ3 4.27Å; L228-W508 HydrophobicContact CD1-CH2 3.46Å; L228-W508 VanDerWaalsContact CD1-CH2 3.46Å; L228-W508 HydrophobicContact CD1-CZ2 3.68Å; L228-W508 HydrophobicContact CD1-CZ3 4.48Å; L230-W508 HydrophobicContact CD2-CH2 4.43Å; L230-W508 HydrophobicContact CD2-CZ2 4.45Å; L499-W508 HydrophobicContact CB-CZ2 4.39Å; L499-W508 PolarHBondContact O-NE1 3.1Å; L503-W508 HydrophobicContact CB-CG 4.45Å; L503-W508 HydrophobicContact CD1-CB 4.39Å; L503-W508 HydrophobicContact CD1-CD2 3.81Å; L503-W508 HydrophobicContact CD1-CE3 4.3Å; L503-W508 HydrophobicContact CD1-CG 3.81Å; W508-S510 PolarHBondContact O-N 3.35Å; W508-S510 VanDerWaalsContact O-N 3.15Å; W508-I511 CarbonylContact O-C 3.51Å; W508-I511 WeakPolarHBondContact O-CG1 3.41Å; W508-I511 PolarHBondContact O-N 2.84Å; W508-E512 PolarHBondContact O-N 3.16Å; W508-L515 HydrophobicContact CB-CD1 3.65Å; W508-L515 HydrophobicContact CD2-CD1 3.91Å; W508-L515 HydrophobicContact CD2-CD2 4.37Å; W508-L515 HydrophobicContact CE3-CD1 4.14Å; W508-L515 HydrophobicContact CG-CD1 3.73Å; W508-H522 HydrophobicContact CE3-CB 4.34Å; W508-H522 HydrophobicContact CZ3-CB 4.22Å |
| 509 | R | 95.8 | Very high | 95.9 | Very high | 214 Ų | 214 | 58.5 Ų | 58.5 | 81% | 0.808 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -57.8 | -26.9 | 171.6 | -64.1 | -175.8 | -174.6 | 179.6 | 1.4 | 112.7 | G507 I511 | G507-R509 PolarHBondContact O-N 3.42Å; G507-R509 VanDerWaalsContact O-N 3.11Å; R509-I511 VanDerWaalsContact C-N 3.27Å; R509-I511 PolarHBondContact O-N 3.17Å |
| 510 | S | 96.3 | Very high | 95.8 | Very high | 70 Ų | 70 | 60 Ų | 60 | 49% | 0.49 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -73.2 | -16.1 | 177.2 | 66.6 | 0 | 0 | 0 | 0 | 114.3 | P506 G507 W508 | P506-S510 WeakPolarHBondContact CG-OG 3.36Å; G507-S510 WeakPolarHBondContact O-CB 3.27Å; G507-S510 PolarHBondContact O-N 3.4Å; G507-S510 PolarHBondContact O-OG 3.4Å; W508-S510 PolarHBondContact O-N 3.35Å; W508-S510 VanDerWaalsContact O-N 3.15Å |
| 511 | I | 96.8 | Very high | 95.8 | Very high | 15 Ų | 15 | 61.9 Ų | 61.9 | 8% | 0.077 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -130.2 | 25.2 | -174.1 | 58.6 | 159.8 | 0 | 0 | 0 | 112.1 | L470 L499 L502 W508 R509 E513 V514 L515 | L470-I511 HydrophobicContact CD2-CD1 4.14Å; L470-I511 HydrophobicContact CD2-CG2 4.44Å; L499-I511 HydrophobicContact CD2-CD1 3.98Å; L502-I511 HydrophobicContact CB-CD1 3.99Å; L502-I511 HydrophobicContact CD1-CD1 3.94Å; L502-I511 HydrophobicContact CD1-CG2 4.17Å; W508-I511 CarbonylContact O-C 3.51Å; W508-I511 WeakPolarHBondContact O-CG1 3.41Å; W508-I511 PolarHBondContact O-N 2.84Å; R509-I511 VanDerWaalsContact C-N 3.27Å; R509-I511 PolarHBondContact O-N 3.17Å; I511-E513 VanDerWaalsContact C-N 3.26Å; I511-E513 PolarHBondContact O-N 3.35Å; I511-V514 HydrophobicContact CB-CG1 3.7Å; I511-V514 HydrophobicContact CG2-CG1 4.4Å; I511-V514 WeakPolarHBondContact O-CG1 3.25Å; I511-V514 PolarHBondContact O-N 2.89Å; I511-L515 HydrophobicContact CD1-CD1 4.25Å; I511-L515 HydrophobicContact CD1-CD2 4.27Å; I511-L515 HydrophobicContact CD1-CG 4.11Å; I511-L515 HydrophobicContact CG1-CD1 3.99Å; I511-L515 HydrophobicContact CG1-CG 4.14Å; I511-L515 WeakPolarHBondContact O-CG 3.23Å; I511-L515 PolarHBondContact O-N 3.02Å |
| 512 | E | 96.5 | Very high | 95.9 | Very high | 81 Ų | 81 | 62.5 Ų | 62.5 | 38% | 0.379 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -56.7 | -39.1 | -173.8 | -166.8 | -178.4 | 165.9 | 0 | 0 | 112.8 | W508 L515 R516 | W508-E512 PolarHBondContact O-N 3.16Å; E512-L515 WeakPolarHBondContact O-CB 3.13Å; E512-L515 PolarHBondContact O-N 3.33Å; E512-R516 WeakPolarHBondContact O-CG 3.39Å; E512-R516 PolarHBondContact O-N 2.98Å; E512-R516 VanDerWaalsContact O-N 3.07Å; E512-R516 IonicContact OE1-CZ 3.5Å; E512-R516 IonicContact OE1-NE 3.61Å; E512-R516 IonicContact OE1-NH2 2.69Å; E512-R516 PolarHBondContact OE1-NH2 2.99Å |
| 513 | E | 96.5 | Very high | 96 | Very high | 125 Ų | 125 | 61.6 Ų | 61.6 | 58% | 0.584 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -64.2 | -46.5 | -179.2 | -175 | 59.4 | -165.3 | 0 | 0 | 112.2 | I511 L515 R516 I517 | I511-E513 VanDerWaalsContact C-N 3.26Å; I511-E513 PolarHBondContact O-N 3.35Å; E513-L515 VanDerWaalsContact C-N 3.3Å; E513-L515 PolarHBondContact O-N 3.48Å; E513-R516 WeakPolarHBondContact O-CB 3.44Å; E513-R516 PolarHBondContact O-N 3.28Å; E513-R516 VanDerWaalsContact O-N 3.12Å; E513-I517 WeakPolarHBondContact O-CG1 3.23Å; E513-I517 PolarHBondContact O-N 3.11Å |
| 514 | V | 97.4 | Very high | 96 | Very high | 4 Ų | 4 | 65.4 Ų | 65.4 | 2% | 0.024 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69.9 | -30.2 | 177.3 | 64.3 | 0 | 0 | 0 | 0 | 111.6 | I466 T469 L470 I511 R516 I517 L518 | I466-V514 HydrophobicContact CB-CG2 4.31Å; I466-V514 HydrophobicContact CG1-CG2 3.95Å; I466-V514 HydrophobicContact CG2-CG2 4.33Å; T469-V514 HydrophobicContact CG2-CB 4.06Å; T469-V514 HydrophobicContact CG2-CG1 3.86Å; L470-V514 HydrophobicContact CD1-CG2 4.16Å; L470-V514 HydrophobicContact CD2-CG1 3.75Å; L470-V514 HydrophobicContact CD2-CG2 4.5Å; L470-V514 HydrophobicContact CG-CG1 4.24Å; L470-V514 HydrophobicContact CG-CG2 4.09Å; I511-V514 HydrophobicContact CB-CG1 3.7Å; I511-V514 HydrophobicContact CG2-CG1 4.4Å; I511-V514 WeakPolarHBondContact O-CG1 3.25Å; I511-V514 PolarHBondContact O-N 2.89Å; V514-R516 PolarHBondContact O-N 2.76Å; V514-I517 PolarHBondContact O-N 3.42Å; V514-L518 WeakPolarHBondContact O-CG 3.29Å; V514-L518 PolarHBondContact O-N 3.1Å; V514-L518 VanDerWaalsContact O-N 3.11Å |
| 515 | L | 98.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64 | -27.3 | 171.3 | -70.4 | 171.9 | 0 | 0 | 0 | 112.8 | K195 L499 W508 I511 E512 E513 H522 | K195-L515 HydrophobicContact CD-CD2 4.36Å; K195-L515 PolarHBondContact NZ-O 3.17Å; L499-L515 HydrophobicContact CD2-CD2 3.89Å; W508-L515 HydrophobicContact CB-CD1 3.65Å; W508-L515 HydrophobicContact CD2-CD1 3.91Å; W508-L515 HydrophobicContact CD2-CD2 4.37Å; W508-L515 HydrophobicContact CE3-CD1 4.14Å; W508-L515 HydrophobicContact CG-CD1 3.73Å; I511-L515 HydrophobicContact CD1-CD1 4.25Å; I511-L515 HydrophobicContact CD1-CD2 4.27Å; I511-L515 HydrophobicContact CD1-CG 4.11Å; I511-L515 HydrophobicContact CG1-CD1 3.99Å; I511-L515 HydrophobicContact CG1-CG 4.14Å; I511-L515 WeakPolarHBondContact O-CG 3.23Å; I511-L515 PolarHBondContact O-N 3.02Å; E512-L515 WeakPolarHBondContact O-CB 3.13Å; E512-L515 PolarHBondContact O-N 3.33Å; E513-L515 VanDerWaalsContact C-N 3.3Å; E513-L515 PolarHBondContact O-N 3.48Å; L515-H522 HydrophobicContact CB-CB 4.36Å; L515-H522 HydrophobicContact CD1-CB 4.4Å |
| 516 | R | 97.1 | Very high | 96.5 | Very high | 153 Ų | 153 | 67.5 Ų | 67.5 | 58% | 0.577 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -77.8 | -27.5 | 174 | -68.2 | 171.6 | -176 | -177 | -0.6 | 113 | E512 E513 V514 | E512-R516 WeakPolarHBondContact O-CG 3.39Å; E512-R516 PolarHBondContact O-N 2.98Å; E512-R516 VanDerWaalsContact O-N 3.07Å; E512-R516 IonicContact OE1-CZ 3.5Å; E512-R516 IonicContact OE1-NE 3.61Å; E512-R516 IonicContact OE1-NH2 2.69Å; E512-R516 PolarHBondContact OE1-NH2 2.99Å; E513-R516 WeakPolarHBondContact O-CB 3.44Å; E513-R516 PolarHBondContact O-N 3.28Å; E513-R516 VanDerWaalsContact O-N 3.12Å; V514-R516 PolarHBondContact O-N 2.76Å |
| 517 | I | 95.3 | Very high | 96.6 | Very high | 50 Ų | 50 | 63.1 Ų | 63.1 | 26% | 0.256 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -74.3 | -38.2 | 176.9 | -65.1 | 173.4 | 0 | 0 | 0 | 111.2 | N462 T465 I466 E513 V514 | N462-I517 HydrophobicContact CB-CG2 3.49Å; N462-I517 VanDerWaalsContact CB-CG2 3.49Å; T465-I517 HydrophobicContact CG2-CD1 4.22Å; I466-I517 HydrophobicContact CD1-CG2 3.91Å; I466-I517 HydrophobicContact CG1-CG2 4.03Å; E513-I517 WeakPolarHBondContact O-CG1 3.23Å; E513-I517 PolarHBondContact O-N 3.11Å; V514-I517 PolarHBondContact O-N 3.42Å |
| 518 | L | 97.2 | Very high | 96.4 | Very high | 8 Ų | 8 | 67.6 Ų | 67.6 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -66.5 | 149.9 | 177.1 | -68.9 | 169.6 | 0 | 0 | 0 | 111.3 | K195 V234 I466 L495 L499 V514 | K195-L518 VanDerWaalsContact CE-CB 3.42Å; K195-L518 PolarHBondContact NZ-O 2.98Å; V234-L518 HydrophobicContact CG1-CB 4.42Å; V234-L518 HydrophobicContact CG1-CD1 4.26Å; I466-L518 HydrophobicContact CD1-CD2 3.95Å; I466-L518 HydrophobicContact CG1-CD2 4.49Å; I466-L518 HydrophobicContact CG2-CD2 4.29Å; L495-L518 HydrophobicContact CD1-CD2 3.9Å; L495-L518 HydrophobicContact CD2-CD1 4.1Å; L495-L518 HydrophobicContact CD2-CD2 4.18Å; L499-L518 HydrophobicContact CD1-CD1 4.08Å; L499-L518 HydrophobicContact CD2-CD1 4.12Å; V514-L518 WeakPolarHBondContact O-CG 3.29Å; V514-L518 PolarHBondContact O-N 3.1Å; V514-L518 VanDerWaalsContact O-N 3.11Å |
| 519 | P | 95.5 | Very high | 95.9 | Very high | 54 Ų | 54 | 68.3 Ų | 68.3 | 35% | 0.351 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -67.5 | 149.4 | -174.9 | 27.2 | -33.5 | 0 | 0 | 0 | 113.2 | K195 N233 | K195-P519 WeakPolarHBondContact CE-O 3.3Å; K195-P519 PolarHBondContact NZ-O 2.97Å; K195-P519 VanDerWaalsContact NZ-O 3.07Å; N233-P519 WeakPolarHBondContact O-CG 3.43Å |
| 520 | G | 97.2 | Very high | 95.5 | Very high | 31 Ų | 31 | 60.6 Ų | 60.6 | 32% | 0.32 | 31% | 0.309 | S | S | . | . | S | Bend | trans | 71.6 | 171.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | K195 | K195-G520 PolarHBondContact NZ-O 3.4Š|
| 521 | P | 98.1 | Very high | 94.8 | Very high | 41 Ų | 41 | 63.2 Ų | 63.2 | 27% | 0.266 | 32% | 0.323 | S | S | . | . | trans | -72.7 | 154.1 | -179.8 | 30.3 | -37.6 | 0 | 0 | 0 | 111.7 | K195 G196 E197 R200 | K195-P521 CarbonylContact C-O 3.54Å; K195-P521 WeakPolarHBondContact CA-O 3.45Å; G196-P521 PolarHBondContact N-O 3.36Å; E197-P521 VanDerWaalsContact CD-CD 3.49Å; E197-P521 WeakPolarHBondContact OE1-CD 3.36Å; R200-P521 HydrophobicContact CB-CG 4.17Å | ||
| 522 | H | 98.3 | Very high | 94.3 | Very high | 59 Ų | 59 | 65.4 Ų | 65.4 | 27% | 0.273 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 146.8 | 158.2 | 64 | -83.9 | 0 | 0 | 0 | 109.2 | G194 K195 W508 L515 | G194-H522 CarbonylContact O-C 3.54Å; G194-H522 VanDerWaalsContact O-CA 3.24Å; G194-H522 WeakPolarHBondContact O-CA 3.36Å; K195-H522 HydrophobicContact CD-CB 3.93Å; W508-H522 HydrophobicContact CE3-CB 4.34Å; W508-H522 HydrophobicContact CZ3-CB 4.22Å; L515-H522 HydrophobicContact CB-CB 4.36Å; L515-H522 HydrophobicContact CD1-CB 4.4Å |
| 523 | F | 98.2 | Very high | 93.8 | Very high | 12 Ų | 12 | 62.4 Ų | 62.4 | 5% | 0.053 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 163.3 | -177.4 | 64.7 | -92.6 | 0 | 0 | 0 | 114.5 | I192 F193 G194 A199 R200 A203 E525 | I192-F523 HydrophobicContact CG2-CE2 4.27Å; F193-F523 WeakPolarHBondContact CA-O 3.47Å; G194-F523 PolarHBondContact N-O 2.89Å; G194-F523 VanDerWaalsContact N-O 3.08Å; G194-F523 WeakPolarHBondContact O-CD1 3.38Å; G194-F523 PolarHBondContact O-N 2.87Å; A199-F523 HydrophobicContact CB-CE1 4.2Å; A199-F523 HydrophobicContact CB-CZ 4.44Å; R200-F523 HydrophobicContact CB-CD1 4.42Å; R200-F523 HydrophobicContact CB-CE1 3.86Å; R200-F523 HydrophobicContact CB-CZ 4.48Å; R200-F523 VanDerWaalsContact CZ-CB 3.5Å; A203-F523 HydrophobicContact CB-CE2 3.78Å; A203-F523 HydrophobicContact CB-CZ 3.76Å; F523-E525 HydrophobicContact CD2-CG 3.95Å; F523-E525 HydrophobicContact CE2-CG 4.3Å |
| 524 | E | 97.7 | Very high | 93.2 | Very high | 98 Ų | 98 | 61.6 Ų | 61.6 | 46% | 0.458 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 128 | 173.4 | 178.2 | 177.9 | 177.5 | 0 | 0 | 108.3 | Q191 I192 F193 | Q191-E524 PolarHBondContact NE2-OE1 3.37Å; I192-E524 CarbonylContact O-C 3.58Å; I192-E524 WeakPolarHBondContact O-CA 3.42Å; F193-E524 HydrophobicContact CD1-CB 3.96Å; F193-E524 HydrophobicContact CD1-CG 3.94Å; F193-E524 HydrophobicContact CE1-CB 3.97Å; F193-E524 HydrophobicContact CE1-CG 3.5Å; F193-E524 HydrophobicContact CZ-CG 4.18Å |
| 525 | E | 96.5 | Very high | 92.2 | Very high | 69 Ų | 69 | 66.2 Ų | 66.2 | 32% | 0.322 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 142 | 176 | -62.6 | -67.8 | 163.5 | 0 | 0 | 109.3 | I192 R200 I207 F523 | I192-E525 HydrophobicContact CB-CB 4.25Å; I192-E525 HydrophobicContact CD1-CB 4.46Å; I192-E525 PolarHBondContact N-O 2.85Å; I192-E525 PolarHBondContact O-N 3.31Å; R200-E525 IonicContact CZ-OE1 3.71Å; R200-E525 IonicContact NH1-OE1 3.31Å; R200-E525 PolarHBondContact NH1-OE1 3.21Å; I207-E525 HydrophobicContact CD1-CB 4.46Å; I207-E525 HydrophobicContact CD1-CG 4.5Å; F523-E525 HydrophobicContact CD2-CG 3.95Å; F523-E525 HydrophobicContact CE2-CG 4.3Å |
| 526 | R | 95.6 | Very high | 91 | Very high | 193 Ų | 193 | 75.7 Ų | 75.7 | 73% | 0.728 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 124.4 | 176.6 | -173.5 | 176.6 | -179.8 | -173.9 | 0.6 | 110.2 | ||
| 527 | Q | 93.5 | Very high | 89.7 | Confident | 8 Ų | 8 | 71.7 Ų | 71.7 | 4% | 0.037 | 38% | 0.378 | C | S | . | . | trans | -84 | 137.4 | 172.8 | -65.3 | -166.1 | 71.8 | 0 | 0 | 110.9 | T188 I189 P190 I192 K210 | T188-Q527 HydrophobicContact CG2-CB 3.85Å; I189-Q527 PolarHBondContact O-NE2 2.8Å; P190-Q527 PolarHBondContact O-N 3.28Å; I192-Q527 HydrophobicContact CD1-CG 3.72Å; I192-Q527 HydrophobicContact CG1-CG 4.39Å; K210-Q527 VanDerWaalsContact CD-OE1 3.31Å | ||
| 528 | P | 89.3 | Confident | 88.7 | Confident | 112 Ų | 112 | 76.7 Ų | 76.7 | 73% | 0.727 | 40% | 0.4 | S | S | * | . | trans | -66.9 | 137.8 | 173.2 | 28.5 | -33.5 | 0 | 0 | 0 | 110.1 | ||||
| 529 | L | 88.1 | Confident | 87.4 | Confident | 36 Ų | 36 | 82.8 Ų | 82.8 | 19% | 0.188 | 44% | 0.44 | C | S | . | . | trans | -118.1 | 141 | 172 | -62.1 | 175.9 | 0 | 0 | 0 | 109.4 | T188 P190 P222 Q534 | T188-L529 HydrophobicContact CG2-CD2 3.54Å; P190-L529 HydrophobicContact CB-CD1 3.98Å; P190-L529 HydrophobicContact CG-CD1 3.85Å; P222-L529 HydrophobicContact CG-CD1 4.21Å; P222-L529 HydrophobicContact CG-CD2 4.13Å; L529-Q534 HydrophobicContact CB-CG 4.41Å | ||
| 530 | P | 86.2 | Confident | 86.3 | Confident | 52 Ų | 52 | 84 Ų | 84 | 34% | 0.338 | 46% | 0.462 | S | S | . | . | trans | -52.2 | 143.4 | 166.1 | -24.4 | 33.5 | 0 | 0 | 0 | 111.3 | G532 L533 | P530-G532 PolarHBondContact O-N 2.68Å; P530-G532 VanDerWaalsContact O-N 3.09Å; P530-L533 HydrophobicContact CB-CD1 4.39Å; P530-L533 HydrophobicContact CB-CG 4.43Å; P530-L533 HydrophobicContact CG-CD1 4.05Å; P530-L533 PolarHBondContact O-N 2.84Å | ||
| 531 | T | 82.8 | Confident | 85.5 | Confident | 125 Ų | 125 | 85.4 Ų | 85.4 | 77% | 0.767 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -53.5 | -36 | -176.2 | -46.4 | 0 | 0 | 0 | 0 | 112.8 | L533 | T531-L533 VanDerWaalsContact C-N 3.26Å; T531-L533 PolarHBondContact O-N 2.86Å |
| 532 | G | 85.7 | Confident | 84.8 | Confident | 62 Ų | 62 | 85.7 Ų | 85.7 | 64% | 0.639 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -71.8 | -11.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | F221 P530 | F221-G532 VanDerWaalsContact CE1-O 3.27Å; F221-G532 WeakPolarHBondContact CE1-O 3.22Å; F221-G532 WeakPolarHBondContact CZ-O 3.29Å; P530-G532 PolarHBondContact O-N 2.68Å; P530-G532 VanDerWaalsContact O-N 3.09Å |
| 533 | L | 86.3 | Confident | 84.5 | Confident | 18 Ų | 18 | 88.8 Ų | 88.8 | 9% | 0.094 | 47% | 0.469 | C | S | . | . | G | 310 helix | trans | -107.4 | 5.1 | -178.3 | -61.8 | -179.3 | 0 | 0 | 0 | 113.2 | N218 F221 P530 T531 K535 | N218-L533 WeakPolarHBondContact O-CD1 3.38Å; F221-L533 HydrophobicContact CD1-CD2 3.9Å; F221-L533 HydrophobicContact CD2-CD2 4.08Å; F221-L533 HydrophobicContact CE1-CD2 3.94Å; F221-L533 HydrophobicContact CE2-CD2 4.12Å; F221-L533 HydrophobicContact CG-CD2 3.97Å; F221-L533 HydrophobicContact CZ-CD2 4.05Å; P530-L533 HydrophobicContact CB-CD1 4.39Å; P530-L533 HydrophobicContact CB-CG 4.43Å; P530-L533 HydrophobicContact CG-CD1 4.05Å; P530-L533 PolarHBondContact O-N 2.84Å; T531-L533 VanDerWaalsContact C-N 3.26Å; T531-L533 PolarHBondContact O-N 2.86Å; L533-K535 PolarHBondContact O-N 2.87Å; L533-K535 VanDerWaalsContact O-N 3.15Å |
| 534 | Q | 82.4 | Confident | 84.4 | Confident | 107 Ų | 107 | 88.4 Ų | 88.4 | 50% | 0.5 | 47% | 0.468 | S | S | . | . | trans | -75.9 | 101.9 | 173.4 | -64.4 | -175 | 8.8 | 0 | 0 | 109.6 | L529 K536 | L529-Q534 HydrophobicContact CB-CG 4.41Å; Q534-K536 PolarHBondContact O-N 3.22Å | ||
| 535 | K | 76.4 | Confident | 84.4 | Confident | 101 Ų | 101 | 83.8 Ų | 83.8 | 44% | 0.439 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 118.8 | 179.8 | -170.7 | 175.2 | 175.6 | -177.2 | 0 | 110.6 | L533 R537 E541 | L533-K535 PolarHBondContact O-N 2.87Å; L533-K535 VanDerWaalsContact O-N 3.15Å; K535-R537 HydrophobicContact CG-CG 4.42Å; K535-E541 WeakPolarHBondContact CE-OE1 3.38Å; K535-E541 IonicContact NZ-OE1 2.95Å; K535-E541 PolarHBondContact NZ-OE1 3.43Å; K535-E541 IonicContact NZ-OE2 3.33Å |
| 536 | K | 74.2 | Confident | 84.5 | Confident | 200 Ų | 200 | 80.5 Ų | 80.5 | 87% | 0.87 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -79 | 117.1 | 164.1 | -71.8 | -174.4 | 179.6 | 179.9 | 0 | 108.3 | Q534 | Q534-K536 PolarHBondContact O-N 3.22Š|
| 537 | R | 69.4 | Low | 84.6 | Confident | 69 Ų | 69 | 71.3 Ų | 71.3 | 26% | 0.26 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -90.1 | 144 | -177.8 | -59.1 | -163.1 | 76.2 | 159.7 | 2.3 | 111.9 | D225 K535 E541 N542 R543 | D225-R537 IonicContact OD1-CZ 3.37Å; D225-R537 IonicContact OD1-NH1 2.63Å; D225-R537 PolarHBondContact OD1-NH1 3.22Å; D225-R537 IonicContact OD2-CZ 2.74Å; D225-R537 IonicContact OD2-NH1 2.7Å; D225-R537 PolarHBondContact OD2-NH1 3.25Å; D225-R537 IonicContact OD2-NH2 2.62Å; K535-R537 HydrophobicContact CG-CG 4.42Å; R537-E541 IonicContact CZ-OE2 2.96Å; R537-E541 IonicContact NE-OE2 3.93Å; R537-E541 PolarHBondContact NE-OE2 3.09Å; R537-E541 PolarHBondContact NH2-O 3.16Å; R537-E541 IonicContact NH2-OE1 3Å; R537-E541 IonicContact NH2-OE2 2.77Å; R537-N542 PolarHBondContact NH2-O 3.31Å; R537-R543 VanDerWaalsContact NH1-CA 3.32Å; R537-R543 VanDerWaalsContact NH1-CG 3.31Å |
| 538 | Q | 73.7 | Confident | 84.9 | Confident | 155 Ų | 155 | 70.9 Ų | 70.9 | 72% | 0.724 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -82.8 | 145.7 | 172.2 | -62.7 | -177 | 11.3 | 0 | 0 | 109.7 | G540 E541 | Q538-G540 PolarHBondContact O-N 2.88Å; Q538-E541 WeakPolarHBondContact O-CB 3.27Å; Q538-E541 PolarHBondContact O-N 3.35Å |
| 539 | P | 70.7 | Confident | 85.3 | Confident | 137 Ų | 137 | 65.6 Ų | 65.6 | 89% | 0.89 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 132.5 | 168.9 | -23.5 | 33.5 | 0 | 0 | 0 | 110.8 | ||
| 540 | G | 72.5 | Confident | 85.8 | Confident | 79 Ų | 79 | 64 Ų | 64 | 81% | 0.814 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.7 | -3.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q538 N542 | Q538-G540 PolarHBondContact O-N 2.88Å; G540-N542 PolarHBondContact O-N 2.87Å |
| 541 | E | 79.1 | Confident | 86.4 | Confident | 61 Ų | 61 | 61.8 Ų | 61.8 | 29% | 0.285 | 34% | 0.338 | S | S | . | . | trans | -79.1 | 114.7 | 176.6 | -166.7 | -167.2 | -176 | 0 | 0 | 111.8 | K535 R537 Q538 R543 | K535-E541 WeakPolarHBondContact CE-OE1 3.38Å; K535-E541 IonicContact NZ-OE1 2.95Å; K535-E541 PolarHBondContact NZ-OE1 3.43Å; K535-E541 IonicContact NZ-OE2 3.33Å; R537-E541 IonicContact CZ-OE2 2.96Å; R537-E541 IonicContact NE-OE2 3.93Å; R537-E541 PolarHBondContact NE-OE2 3.09Å; R537-E541 PolarHBondContact NH2-O 3.16Å; R537-E541 IonicContact NH2-OE1 3Å; R537-E541 IonicContact NH2-OE2 2.77Å; Q538-E541 WeakPolarHBondContact O-CB 3.27Å; Q538-E541 PolarHBondContact O-N 3.35Å; E541-R543 PolarHBondContact O-N 2.86Å | ||
| 542 | N | 85.3 | Confident | 87.1 | Confident | 46 Ų | 46 | 55.9 Ų | 55.9 | 25% | 0.246 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 135.3 | 178.3 | -63.2 | -5.7 | 0 | 0 | 0 | 113.2 | R9 R537 G540 G571 | R9-N542 PolarHBondContact NH1-O 2.8Å; R537-N542 PolarHBondContact NH2-O 3.31Å; G540-N542 PolarHBondContact O-N 2.87Å; N542-G571 CarbonylContact C-O 3.3Å; N542-G571 VanDerWaalsContact CA-O 3.23Å; N542-G571 WeakPolarHBondContact CA-O 3.37Å; N542-G571 WeakPolarHBondContact OD1-CA 3.34Å |
| 543 | R | 91.7 | Very high | 87.7 | Confident | 124 Ų | 124 | 52.9 Ų | 52.9 | 47% | 0.468 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 146.1 | 172.8 | -48.7 | -156.8 | 170.4 | 177.1 | -1.3 | 111.4 | D225 R537 E541 G571 T572 E573 | D225-R543 HydrophobicContact CB-CB 4.35Å; D225-R543 VanDerWaalsContact OD2-CA 3.25Å; D225-R543 WeakPolarHBondContact OD2-CA 3.46Å; R537-R543 VanDerWaalsContact NH1-CA 3.32Å; R537-R543 VanDerWaalsContact NH1-CG 3.31Å; E541-R543 PolarHBondContact O-N 2.86Å; R543-G571 PolarHBondContact N-O 3.2Å; R543-T572 HydrophobicContact CB-CG2 4.49Å; R543-T572 CarbonylContact O-C 3.51Å; R543-T572 VanDerWaalsContact O-CA 3.23Å; R543-T572 WeakPolarHBondContact O-CA 3.44Å; R543-E573 PolarHBondContact O-N 2.82Å |
| 544 | V | 95.1 | Very high | 88.3 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.024 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 116.9 | 171.2 | -171 | 0 | 0 | 0 | 0 | 108.3 | R9 V10 F224 D225 N226 E573 V575 | R9-V544 HydrophobicContact CB-CG2 3.92Å; R9-V544 HydrophobicContact CG-CG2 4.41Å; V10-V544 HydrophobicContact CG2-CG1 3.82Å; F224-V544 HydrophobicContact CD1-CG1 3.74Å; F224-V544 HydrophobicContact CE1-CG1 4.1Å; D225-V544 PolarHBondContact N-O 3.17Å; D225-V544 PolarHBondContact OD2-N 3.35Å; N226-V544 PolarHBondContact N-O 2.92Å; V544-E573 WeakPolarHBondContact CA-O 3.46Å; V544-V575 HydrophobicContact CG1-CG2 4.17Å |
| 545 | T | 97.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 119.1 | 178.7 | -61.7 | 0 | 0 | 0 | 0 | 109.5 | N226 L228 I547 T572 E573 Y574 V575 | N226-T545 HydrophobicContact CB-CG2 3.97Å; N226-T545 PolarHBondContact ND2-OG1 3.17Å; N226-T545 VanDerWaalsContact ND2-OG1 3.09Å; N226-T545 WeakPolarHBondContact O-CA 3.36Å; L228-T545 HydrophobicContact CB-CG2 4.3Å; T545-I547 HydrophobicContact CG2-CG1 4.03Å; T545-T572 WeakPolarHBondContact OG1-CG2 3.42Å; T545-E573 PolarHBondContact N-O 3Å; T545-Y574 HydrophobicContact CG2-CD1 4.13Å; T545-Y574 HydrophobicContact CG2-CE1 4.19Å; T545-Y574 WeakPolarHBondContact O-CA 3.5Å; T545-V575 PolarHBondContact O-N 3.02Å |
| 546 | L | 98.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 116.8 | 167.2 | 178.6 | 60.9 | 0 | 0 | 0 | 108.5 | L179 L182 I189 F224 N226 L227 L228 V575 A577 | L179-L546 HydrophobicContact CD2-CD2 3.8Å; L182-L546 HydrophobicContact CD1-CD2 3.61Å; I189-L546 HydrophobicContact CD1-CB 4.48Å; I189-L546 HydrophobicContact CD1-CD2 3.83Å; F224-L546 HydrophobicContact CD1-CB 3.71Å; F224-L546 HydrophobicContact CE1-CB 3.92Å; F224-L546 HydrophobicContact CE1-CD1 4.34Å; F224-L546 HydrophobicContact CG-CB 4.23Å; N226-L546 PolarHBondContact O-N 3.36Å; L227-L546 CarbonylContact C-O 3.57Å; L227-L546 WeakPolarHBondContact CA-O 3.35Å; L227-L546 HydrophobicContact CD1-CB 4.28Å; L227-L546 HydrophobicContact CD1-CD2 4.01Å; L227-L546 HydrophobicContact CD1-CG 4Å; L228-L546 PolarHBondContact N-O 2.75Å; L546-V575 CarbonylContact C-O 3.46Å; L546-V575 WeakPolarHBondContact CA-O 3.33Å; L546-V575 HydrophobicContact CD1-CB 4.21Å; L546-V575 HydrophobicContact CD1-CG1 3.96Å; L546-A577 HydrophobicContact CD1-CB 4.01Å |
| 547 | I | 98.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 126.9 | 171.6 | -54.6 | 178.9 | 0 | 0 | 0 | 108.1 | L228 L230 A500 T545 F549 L561 Y574 V575 I576 A577 | L228-I547 HydrophobicContact CB-CG1 4.28Å; L228-I547 HydrophobicContact CD2-CD1 4.39Å; L228-I547 HydrophobicContact CD2-CG1 4.26Å; L228-I547 HydrophobicContact CD2-CG2 4.39Å; L228-I547 HydrophobicContact CG-CG2 4.35Å; L228-I547 CarbonylContact O-C 3.55Å; L228-I547 WeakPolarHBondContact O-CA 3.27Å; L230-I547 HydrophobicContact CD1-CG2 4.01Å; L230-I547 HydrophobicContact CG-CG2 4.47Å; A500-I547 HydrophobicContact CB-CD1 3.57Å; T545-I547 HydrophobicContact CG2-CG1 4.03Å; I547-F549 HydrophobicContact CB-CE2 4.25Å; I547-F549 HydrophobicContact CG2-CD2 3.83Å; I547-F549 HydrophobicContact CG2-CE2 3.47Å; I547-F549 VanDerWaalsContact CG2-CE2 3.47Å; I547-F549 HydrophobicContact CG2-CZ 4.06Å; I547-L561 HydrophobicContact CD1-CD1 3.92Å; I547-L561 HydrophobicContact CD1-CD2 3.41Å; I547-L561 VanDerWaalsContact CD1-CD2 3.41Å; I547-L561 HydrophobicContact CD1-CG 4.33Å; I547-Y574 HydrophobicContact CD1-CD1 3.44Å; I547-Y574 VanDerWaalsContact CD1-CD1 3.44Å; I547-Y574 HydrophobicContact CD1-CE1 3.88Å; I547-Y574 HydrophobicContact CD1-CG 4.17Å; I547-Y574 HydrophobicContact CG1-CD1 3.94Å; I547-V575 PolarHBondContact N-O 3.2Å; I547-I576 CarbonylContact O-C 3.46Å; I547-A577 PolarHBondContact O-N 3.3Å |
| 548 | F | 98.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 111.9 | 172.7 | -152.9 | -56.2 | 0 | 0 | 0 | 110.1 | L144 M154 A175 L179 L227 L228 L229 L230 L550 A577 T579 | L144-F548 HydrophobicContact CD1-CE2 4.43Å; L144-F548 HydrophobicContact CD2-CE2 4.01Å; L144-F548 HydrophobicContact CD2-CZ 4.08Å; M154-F548 HydrophobicContact CG-CZ 3.98Å; M154-F548 HydrophobicContact SD-CE1 4.08Å; M154-F548 HydrophobicContact SD-CZ 3.64Å; A175-F548 HydrophobicContact CB-CE1 4.08Å; A175-F548 HydrophobicContact CB-CE2 4.25Å; A175-F548 HydrophobicContact CB-CZ 3.74Å; L179-F548 HydrophobicContact CD1-CD2 4.22Å; L179-F548 HydrophobicContact CD2-CD2 3.92Å; L179-F548 HydrophobicContact CD2-CE2 4.5Å; L179-F548 HydrophobicContact CG-CD2 4Å; L179-F548 HydrophobicContact CG-CE2 4.22Å; L227-F548 HydrophobicContact CD1-CB 4.45Å; L228-F548 PolarHBondContact O-N 2.85Å; L229-F548 HydrophobicContact CD2-CB 3.61Å; L229-F548 HydrophobicContact CD2-CG 4.37Å; L230-F548 PolarHBondContact N-O 2.9Å; F548-L550 HydrophobicContact CD1-CD2 3.61Å; F548-L550 HydrophobicContact CD1-CG 4.2Å; F548-L550 HydrophobicContact CE1-CD2 3.75Å; F548-L550 HydrophobicContact CG-CD2 4.48Å; F548-A577 CarbonylContact C-O 3.55Å; F548-A577 VanDerWaalsContact CA-O 3.27Å; F548-A577 WeakPolarHBondContact CA-O 3.31Å; F548-A577 HydrophobicContact CB-CB 4.34Å; F548-A577 HydrophobicContact CD1-CB 4.45Å; F548-A577 HydrophobicContact CD2-CB 3.47Å; F548-A577 VanDerWaalsContact CD2-CB 3.47Å; F548-A577 HydrophobicContact CE2-CB 3.78Å; F548-A577 HydrophobicContact CG-CB 3.85Å; F548-A577 HydrophobicContact CZ-CB 4.37Å; F548-T579 HydrophobicContact CE1-CG2 4.2Å |
| 549 | F | 98.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 0% | 0.004 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 112.6 | 172.1 | -71.1 | -97.2 | 0 | 0 | 0 | 110.5 | L230 I547 V553 L561 I576 A577 T578 T579 | L230-F549 HydrophobicContact CD1-CE1 4.25Å; L230-F549 HydrophobicContact CD1-CZ 4.4Å; I547-F549 HydrophobicContact CB-CE2 4.25Å; I547-F549 HydrophobicContact CG2-CD2 3.83Å; I547-F549 HydrophobicContact CG2-CE2 3.47Å; I547-F549 VanDerWaalsContact CG2-CE2 3.47Å; I547-F549 HydrophobicContact CG2-CZ 4.06Å; F549-V553 HydrophobicContact CB-CB 3.94Å; F549-V553 HydrophobicContact CD1-CB 4.12Å; F549-V553 HydrophobicContact CD1-CG2 3.93Å; F549-V553 HydrophobicContact CD2-CB 3.95Å; F549-V553 HydrophobicContact CD2-CG2 3.73Å; F549-V553 HydrophobicContact CE1-CG2 3.93Å; F549-V553 HydrophobicContact CE2-CB 4.48Å; F549-V553 HydrophobicContact CE2-CG2 3.75Å; F549-V553 HydrophobicContact CG-CB 3.76Å; F549-V553 HydrophobicContact CG-CG2 3.82Å; F549-V553 HydrophobicContact CZ-CG2 3.85Å; F549-L561 HydrophobicContact CE2-CD1 3.78Å; F549-L561 HydrophobicContact CZ-CD1 3.98Å; F549-I576 HydrophobicContact CD2-CG2 3.98Å; F549-I576 HydrophobicContact CE2-CG2 4.11Å; F549-A577 PolarHBondContact N-O 3.47Å; F549-T578 WeakPolarHBondContact O-CA 3.42Å; F549-T578 PolarHBondContact O-OG1 3.38Å; F549-T579 PolarHBondContact O-N 3.32Å; F549-T579 VanDerWaalsContact O-N 3.09Å |
| 550 | L | 98.6 | Very high | 95.3 | Very high | 2 Ų | 2 | 15.8 Ų | 15.8 | 1% | 0.01 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 108 | 179.3 | -62.4 | 172.1 | 0 | 0 | 0 | 109.5 | L172 A175 C198 A199 V202 L229 L230 R232 F548 T579 | L172-L550 HydrophobicContact CD2-CD2 4.28Å; A175-L550 HydrophobicContact CB-CD2 3.91Å; C198-L550 HydrophobicContact CB-CB 4.33Å; C198-L550 HydrophobicContact CB-CD1 3.99Å; A199-L550 VanDerWaalsContact CA-CD1 3.43Å; A199-L550 HydrophobicContact CB-CD1 4.08Å; A199-L550 VanDerWaalsContact N-CD1 3.32Å; V202-L550 HydrophobicContact CB-CD1 4.29Å; V202-L550 HydrophobicContact CG2-CD1 3.85Å; V202-L550 HydrophobicContact CG2-CD2 3.97Å; L229-L550 HydrophobicContact CB-CD1 4.5Å; L230-L550 PolarHBondContact O-N 3Å; R232-L550 WeakPolarHBondContact CB-O 3.34Å; R232-L550 PolarHBondContact N-O 3.16Å; F548-L550 HydrophobicContact CD1-CD2 3.61Å; F548-L550 HydrophobicContact CD1-CG 4.2Å; F548-L550 HydrophobicContact CE1-CD2 3.75Å; F548-L550 HydrophobicContact CG-CD2 4.48Å; L550-T579 HydrophobicContact CD2-CG2 4.36Å |
| 551 | G | 97.7 | Very high | 96.5 | Very high | 6 Ų | 6 | 12.1 Ų | 12.1 | 6% | 0.062 | 6% | 0.055 | C | C | . | . | S | Bend | trans | 113 | -24.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T579 M582 | G551-T579 VanDerWaalsContact CA-OG1 3.29Å; G551-T579 WeakPolarHBondContact CA-OG1 3.35Å; G551-T579 PolarHBondContact N-OG1 2.89Å; G551-M582 WeakPolarHBondContact O-CE 3.4Å |
| 552 | G | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 4% | 0.042 | C | C | . | . | trans | 133.2 | 168.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | R232 T578 T579 K580 M582 | R232-G552 WeakPolarHBondContact CD-O 3.45Å; R232-G552 PolarHBondContact NH1-O 3.22Å; R232-G552 VanDerWaalsContact NH1-O 3.11Å; G552-T578 VanDerWaalsContact CA-OG1 3.31Å; G552-T578 WeakPolarHBondContact CA-OG1 3.25Å; G552-T579 PolarHBondContact N-OG1 2.94Å; G552-K580 CarbonylContact C-O 3.56Å; G552-K580 WeakPolarHBondContact CA-O 3.28Å; G552-M582 VanDerWaalsContact CA-CE 3.5Å | ||
| 553 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 4% | 0.036 | C | C | . | . | B | Isolated β-bridge | trans | -139.4 | 149.5 | -177 | 71.8 | 0 | 0 | 0 | 0 | 111.2 | F549 E557 I558 I576 T578 K580 L581 M582 | F549-V553 HydrophobicContact CB-CB 3.94Å; F549-V553 HydrophobicContact CD1-CB 4.12Å; F549-V553 HydrophobicContact CD1-CG2 3.93Å; F549-V553 HydrophobicContact CD2-CB 3.95Å; F549-V553 HydrophobicContact CD2-CG2 3.73Å; F549-V553 HydrophobicContact CE1-CG2 3.93Å; F549-V553 HydrophobicContact CE2-CB 4.48Å; F549-V553 HydrophobicContact CE2-CG2 3.75Å; F549-V553 HydrophobicContact CG-CB 3.76Å; F549-V553 HydrophobicContact CG-CG2 3.82Å; F549-V553 HydrophobicContact CZ-CG2 3.85Å; V553-E557 HydrophobicContact CG2-CB 3.62Å; V553-E557 HydrophobicContact CG2-CG 4.43Å; V553-I558 HydrophobicContact CG1-CD1 3.99Å; V553-I558 HydrophobicContact CG1-CG1 4.23Å; V553-I558 HydrophobicContact CG2-CG1 4.23Å; V553-I576 HydrophobicContact CG1-CG2 4.42Å; V553-T578 HydrophobicContact CG1-CG2 3.73Å; V553-T578 PolarHBondContact N-OG1 2.93Å; V553-K580 PolarHBondContact N-O 3.45Å; V553-L581 HydrophobicContact CG1-CD2 3.88Å; V553-M582 PolarHBondContact O-N 3.35Å |
| 554 | T | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.016 | C | C | . | . | trans | -92.4 | 159.3 | 175.3 | 63.4 | 0 | 0 | 0 | 0 | 112.7 | P239 A556 E557 I558 M582 | P239-T554 HydrophobicContact CB-CG2 3.97Å; P239-T554 HydrophobicContact CG-CG2 4.45Å; T554-A556 VanDerWaalsContact C-N 3.28Å; T554-A556 PolarHBondContact O-N 2.92Å; T554-E557 PolarHBondContact N-OE2 3.27Å; T554-E557 PolarHBondContact O-N 3.08Å; T554-E557 WeakPolarHBondContact OG1-CB 3.2Å; T554-E557 VanDerWaalsContact OG1-CG 3.24Å; T554-E557 WeakPolarHBondContact OG1-CG 3.5Å; T554-E557 PolarHBondContact OG1-N 2.78Å; T554-E557 VanDerWaalsContact OG1-N 3.11Å; T554-E557 PolarHBondContact OG1-OE2 3.02Å; T554-I558 WeakPolarHBondContact O-CG1 3.4Å; T554-I558 PolarHBondContact O-N 3.11Å; T554-I558 VanDerWaalsContact O-N 3.11Å; T554-M582 WeakPolarHBondContact CA-O 3.16Å | ||
| 555 | F | 98.8 | Very high | 98.1 | Very high | 8 Ų | 8 | 4.2 Ų | 4.2 | 4% | 0.035 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -66 | -30.8 | 172.5 | -72.1 | -74.1 | 0 | 0 | 0 | 112.5 | E247 D251 I256 I558 A559 L581 | E247-F555 HydrophobicContact CG-CB 3.98Å; E247-F555 HydrophobicContact CG-CD1 3.54Å; E247-F555 HydrophobicContact CG-CD2 4.38Å; E247-F555 HydrophobicContact CG-CE1 4.04Å; E247-F555 HydrophobicContact CG-CG 3.72Å; E247-F555 VanDerWaalsContact OE2-CD1 3.28Å; E247-F555 WeakPolarHBondContact OE2-CD1 3.46Å; D251-F555 HydrophobicContact CB-CD2 3.73Å; D251-F555 HydrophobicContact CB-CE2 3.99Å; I256-F555 HydrophobicContact CB-CE2 3.94Å; I256-F555 HydrophobicContact CB-CZ 4.08Å; I256-F555 HydrophobicContact CD1-CD2 4.44Å; I256-F555 HydrophobicContact CD1-CE2 3.97Å; I256-F555 HydrophobicContact CD1-CZ 4.11Å; I256-F555 HydrophobicContact CG1-CE2 4.43Å; I256-F555 HydrophobicContact CG2-CE2 4.34Å; I256-F555 HydrophobicContact CG2-CZ 3.95Å; F555-I558 HydrophobicContact CD1-CD1 4.2Å; F555-I558 PolarHBondContact O-N 2.69Å; F555-A559 WeakPolarHBondContact O-CB 3.49Å; F555-A559 PolarHBondContact O-N 2.61Å; F555-L581 HydrophobicContact CE1-CD1 4.35Å; F555-L581 HydrophobicContact CE1-CD2 4.49Å; F555-L581 HydrophobicContact CZ-CD1 4.09Å |
| 556 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -64.7 | -40.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q243 V488 Y489 T554 I558 A559 A560 | Q243-A556 HydrophobicContact CB-CB 3.98Å; Q243-A556 HydrophobicContact CG-CB 3.73Å; V488-A556 HydrophobicContact CB-CB 4.14Å; V488-A556 HydrophobicContact CG2-CB 4.33Å; Y489-A556 HydrophobicContact CE1-CB 4.43Å; Y489-A556 HydrophobicContact CE2-CB 3.6Å; Y489-A556 WeakPolarHBondContact OH-CB 3.4Å; T554-A556 VanDerWaalsContact C-N 3.28Å; T554-A556 PolarHBondContact O-N 2.92Å; A556-I558 VanDerWaalsContact C-N 3.34Å; A556-A559 PolarHBondContact O-N 2.69Å; A556-A560 WeakPolarHBondContact O-CB 3.34Å; A556-A560 PolarHBondContact O-N 2.72Å |
| 557 | E | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63.7 | -40.5 | 172.5 | -75.3 | 168.4 | 118.1 | 0 | 0 | 111.7 | R232 T238 P494 S496 V497 V553 T554 A560 L561 | R232-E557 IonicContact CZ-OE1 3.15Å; R232-E557 VanDerWaalsContact CZ-OE1 3.27Å; R232-E557 VanDerWaalsContact NH1-CD 3.25Å; R232-E557 IonicContact NH1-OE1 3.98Å; R232-E557 PolarHBondContact NH1-OE1 3.4Å; R232-E557 IonicContact NH1-OE2 3.76Å; R232-E557 PolarHBondContact NH1-OE2 3.17Å; R232-E557 IonicContact NH2-OE1 3Å; R232-E557 PolarHBondContact NH2-OE1 3.14Å; T238-E557 HydrophobicContact CG2-CG 3.54Å; P494-E557 HydrophobicContact CB-CG 3.99Å; P494-E557 HydrophobicContact CG-CG 4.4Å; S496-E557 WeakPolarHBondContact CB-OE1 3.4Å; S496-E557 PolarHBondContact OG-OE1 3.41Å; V497-E557 HydrophobicContact CG2-CB 3.89Å; V497-E557 HydrophobicContact CG2-CG 3.99Å; V553-E557 HydrophobicContact CG2-CB 3.62Å; V553-E557 HydrophobicContact CG2-CG 4.43Å; T554-E557 PolarHBondContact N-OE2 3.27Å; T554-E557 PolarHBondContact O-N 3.08Å; T554-E557 WeakPolarHBondContact OG1-CB 3.2Å; T554-E557 VanDerWaalsContact OG1-CG 3.24Å; T554-E557 WeakPolarHBondContact OG1-CG 3.5Å; T554-E557 PolarHBondContact OG1-N 2.78Å; T554-E557 VanDerWaalsContact OG1-N 3.11Å; T554-E557 PolarHBondContact OG1-OE2 3.02Å; E557-A560 PolarHBondContact O-N 2.82Å; E557-L561 WeakPolarHBondContact O-CG 3.48Å; E557-L561 PolarHBondContact O-N 3.37Å |
| 558 | I | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.8 | -47.3 | 175.4 | -66.9 | 163.8 | 0 | 0 | 0 | 110.6 | L151 V553 T554 F555 A556 A560 L561 R562 I576 L581 | L151-I558 HydrophobicContact CD1-CD1 3.78Å; L151-I558 HydrophobicContact CD1-CG1 4.35Å; L151-I558 HydrophobicContact CD2-CD1 3.97Å; V553-I558 HydrophobicContact CG1-CD1 3.99Å; V553-I558 HydrophobicContact CG1-CG1 4.23Å; V553-I558 HydrophobicContact CG2-CG1 4.23Å; T554-I558 WeakPolarHBondContact O-CG1 3.4Å; T554-I558 PolarHBondContact O-N 3.11Å; T554-I558 VanDerWaalsContact O-N 3.11Å; F555-I558 HydrophobicContact CD1-CD1 4.2Å; F555-I558 PolarHBondContact O-N 2.69Å; A556-I558 VanDerWaalsContact C-N 3.34Å; I558-A560 VanDerWaalsContact C-N 3.29Å; I558-A560 PolarHBondContact O-N 3.1Å; I558-L561 PolarHBondContact O-N 2.93Å; I558-L561 VanDerWaalsContact O-N 3.14Å; I558-R562 HydrophobicContact CG2-CG 4.5Å; I558-R562 WeakPolarHBondContact O-CG 3.42Å; I558-R562 PolarHBondContact O-N 2.78Å; I558-I576 HydrophobicContact CG1-CG2 4.45Å; I558-I576 HydrophobicContact CG2-CD1 4.48Å; I558-L581 HydrophobicContact CD1-CD2 3.46Å; I558-L581 VanDerWaalsContact CD1-CD2 3.46Å |
| 559 | A | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.2 | -42.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T245 D301 V488 F555 A556 R562 F563 | T245-A559 HydrophobicContact CG2-CB 3.87Å; D301-A559 HydrophobicContact CB-CB 3.79Å; D301-A559 WeakPolarHBondContact OD1-CA 3.45Å; V488-A559 HydrophobicContact CG1-CB 4.22Å; F555-A559 WeakPolarHBondContact O-CB 3.49Å; F555-A559 PolarHBondContact O-N 2.61Å; A556-A559 PolarHBondContact O-N 2.69Å; A559-R562 PolarHBondContact O-N 2.8Å; A559-F563 WeakPolarHBondContact O-CB 3.3Å; A559-F563 PolarHBondContact O-N 3.48Å |
| 560 | A | 98.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.2 | -39.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I485 V488 V497 A556 E557 I558 F563 L564 | I485-A560 HydrophobicContact CB-CB 3.95Å; I485-A560 HydrophobicContact CG2-CB 3.91Å; V488-A560 HydrophobicContact CG1-CB 4.08Å; V488-A560 HydrophobicContact CG2-CB 4.32Å; V497-A560 HydrophobicContact CB-CB 4.33Å; V497-A560 HydrophobicContact CG1-CB 3.81Å; V497-A560 HydrophobicContact CG2-CB 4.14Å; A556-A560 WeakPolarHBondContact O-CB 3.34Å; A556-A560 PolarHBondContact O-N 2.72Å; E557-A560 PolarHBondContact O-N 2.82Å; I558-A560 VanDerWaalsContact C-N 3.29Å; I558-A560 PolarHBondContact O-N 3.1Å; A560-F563 WeakPolarHBondContact O-CB 3.3Å; A560-F563 PolarHBondContact O-N 2.79Å; A560-L564 WeakPolarHBondContact O-CG 3.32Å; A560-L564 PolarHBondContact O-N 3Å |
| 561 | L | 98.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.3 | -37 | 175.1 | -74 | 168.6 | 0 | 0 | 0 | 112.8 | V497 A500 I547 F549 E557 I558 L564 S565 Y574 I576 | V497-L561 HydrophobicContact CG1-CD2 3.83Å; V497-L561 HydrophobicContact CG1-CG 3.98Å; V497-L561 HydrophobicContact CG2-CG 4.1Å; A500-L561 HydrophobicContact CB-CD2 4.11Å; I547-L561 HydrophobicContact CD1-CD1 3.92Å; I547-L561 HydrophobicContact CD1-CD2 3.41Å; I547-L561 VanDerWaalsContact CD1-CD2 3.41Å; I547-L561 HydrophobicContact CD1-CG 4.33Å; F549-L561 HydrophobicContact CE2-CD1 3.78Å; F549-L561 HydrophobicContact CZ-CD1 3.98Å; E557-L561 WeakPolarHBondContact O-CG 3.48Å; E557-L561 PolarHBondContact O-N 3.37Å; I558-L561 PolarHBondContact O-N 2.93Å; I558-L561 VanDerWaalsContact O-N 3.14Å; L561-L564 PolarHBondContact O-N 2.7Å; L561-S565 PolarHBondContact O-N 3.4Å; L561-S565 PolarHBondContact O-OG 3.34Å; L561-Y574 HydrophobicContact CD2-CD1 4.22Å; L561-Y574 HydrophobicContact CD2-CD2 4.09Å; L561-Y574 HydrophobicContact CD2-CE2 4.45Å; L561-Y574 HydrophobicContact CD2-CG 3.95Å; L561-I576 HydrophobicContact CB-CD1 4.32Å; L561-I576 HydrophobicContact CB-CG1 4.48Å; L561-I576 HydrophobicContact CD1-CD1 4.35Å; L561-I576 HydrophobicContact CD1-CG1 3.63Å |
| 562 | R | 97 | Very high | 92.2 | Very high | 8 Ų | 8 | 32.4 Ų | 32.4 | 3% | 0.03 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.3 | -42.4 | 172.3 | -73.8 | 173.5 | 176.3 | 151 | 1.7 | 111.3 | D150 E247 R300 D301 I558 A559 L564 S565 Q566 | D150-R562 IonicContact OD1-CZ 2.82Å; D150-R562 IonicContact OD1-NE 3.3Å; D150-R562 IonicContact OD1-NH2 3.9Å; D150-R562 PolarHBondContact OD1-NH2 3.48Å; D150-R562 WeakPolarHBondContact OD2-CG 3.09Å; D150-R562 IonicContact OD2-CZ 2.67Å; D150-R562 IonicContact OD2-NE 3.69Å; D150-R562 PolarHBondContact OD2-NE 3.34Å; D150-R562 IonicContact OD2-NH2 3.68Å; E247-R562 IonicContact OE2-NH1 3.51Å; R300-R562 VanDerWaalsContact NE-NH1 3.14Å; R300-R562 VanDerWaalsContact NH2-CZ 3.27Å; D301-R562 VanDerWaalsContact OD1-CD 3.3Å; D301-R562 WeakPolarHBondContact OD1-CD 3.35Å; D301-R562 IonicContact OD1-NH1 3.69Å; D301-R562 PolarHBondContact OD1-NH1 2.69Å; D301-R562 VanDerWaalsContact OD1-NH1 3.11Å; D301-R562 WeakPolarHBondContact OD2-CD 3.14Å; I558-R562 HydrophobicContact CG2-CG 4.5Å; I558-R562 WeakPolarHBondContact O-CG 3.42Å; I558-R562 PolarHBondContact O-N 2.78Å; A559-R562 PolarHBondContact O-N 2.8Å; R562-L564 PolarHBondContact O-N 3.22Å; R562-S565 WeakPolarHBondContact O-CB 3.41Å; R562-S565 PolarHBondContact O-N 3.26Å; R562-S565 VanDerWaalsContact O-N 3.16Å; R562-Q566 WeakPolarHBondContact O-CG 3.37Å; R562-Q566 PolarHBondContact O-N 2.74Å; R562-Q566 VanDerWaalsContact O-N 3.17Å |
| 563 | F | 96.9 | Very high | 92 | Very high | 26 Ų | 26 | 34.3 Ų | 34.3 | 11% | 0.114 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57 | -48.2 | 172.7 | 175.2 | -95.3 | 0 | 0 | 0 | 111.3 | P482 I485 Y487 A559 A560 S565 Q566 L567 | P482-F563 HydrophobicContact CB-CE2 4.35Å; P482-F563 HydrophobicContact CG-CD2 4.47Å; P482-F563 HydrophobicContact CG-CE2 3.91Å; P482-F563 WeakPolarHBondContact O-CZ 3.46Å; I485-F563 HydrophobicContact CG2-CD1 3.78Å; I485-F563 HydrophobicContact CG2-CE1 4.4Å; Y487-F563 HydrophobicContact CE1-CB 3.94Å; Y487-F563 HydrophobicContact CE1-CD1 4.28Å; Y487-F563 AromaticContact CE1-CD2 3.91Å; Y487-F563 HydrophobicContact CE1-CD2 3.91Å; Y487-F563 AromaticContact CE1-CG 3.77Å; Y487-F563 HydrophobicContact CE1-CG 3.77Å; A559-F563 WeakPolarHBondContact O-CB 3.3Å; A559-F563 PolarHBondContact O-N 3.48Å; A560-F563 WeakPolarHBondContact O-CB 3.3Å; A560-F563 PolarHBondContact O-N 2.79Å; F563-S565 VanDerWaalsContact C-N 3.29Å; F563-S565 PolarHBondContact O-N 2.65Å; F563-Q566 PolarHBondContact O-N 2.74Å; F563-Q566 VanDerWaalsContact O-N 3.1Å; F563-L567 HydrophobicContact CE1-CD1 4.19Å; F563-L567 HydrophobicContact CE1-CD2 4.07Å; F563-L567 HydrophobicContact CE1-CG 4.36Å; F563-L567 HydrophobicContact CZ-CD2 3.98Å; F563-L567 PolarHBondContact O-N 3.27Å |
| 564 | L | 96 | Very high | 91.9 | Very high | 7 Ų | 7 | 34.8 Ų | 34.8 | 4% | 0.037 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.4 | -36.2 | 176.3 | -68.5 | 177.7 | 0 | 0 | 0 | 113 | I485 V497 Q501 A560 L561 R562 Q566 L567 Y574 | I485-L564 HydrophobicContact CG2-CD1 4.14Å; I485-L564 HydrophobicContact CG2-CD2 3.67Å; I485-L564 HydrophobicContact CG2-CG 3.63Å; V497-L564 HydrophobicContact CG1-CD1 3.66Å; Q501-L564 HydrophobicContact CB-CD1 3.78Å; Q501-L564 HydrophobicContact CG-CD1 4.12Å; Q501-L564 HydrophobicContact CG-CD2 3.96Å; A560-L564 WeakPolarHBondContact O-CG 3.32Å; A560-L564 PolarHBondContact O-N 3Å; L561-L564 PolarHBondContact O-N 2.7Å; R562-L564 PolarHBondContact O-N 3.22Å; L564-Q566 PolarHBondContact O-N 3.15Å; L564-L567 HydrophobicContact CD2-CD1 3.85Å; L564-L567 PolarHBondContact O-N 3.34Å; L564-Y574 HydrophobicContact CB-CD2 4.2Å; L564-Y574 HydrophobicContact CB-CE2 3.75Å; L564-Y574 HydrophobicContact CD1-CE2 4.23Å |
| 565 | S | 94.6 | Very high | 91.8 | Very high | 29 Ų | 29 | 34.9 Ų | 34.9 | 20% | 0.203 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67 | -22.6 | 177.5 | -58.1 | 0 | 0 | 0 | 0 | 113.2 | L561 R562 F563 T572 Y574 | L561-S565 PolarHBondContact O-N 3.4Å; L561-S565 PolarHBondContact O-OG 3.34Å; R562-S565 WeakPolarHBondContact O-CB 3.41Å; R562-S565 PolarHBondContact O-N 3.26Å; R562-S565 VanDerWaalsContact O-N 3.16Å; F563-S565 VanDerWaalsContact C-N 3.29Å; F563-S565 PolarHBondContact O-N 2.65Å; S565-T572 WeakPolarHBondContact CA-O 3.24Å; S565-Y574 WeakPolarHBondContact OG-CD2 3.37Å; S565-Y574 PolarHBondContact OG-N 2.9Å |
| 566 | Q | 92.4 | Very high | 91.8 | Very high | 142 Ų | 142 | 34.5 Ų | 34.5 | 66% | 0.664 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -89.9 | -12.4 | 179.7 | -68.6 | 171.2 | 13.5 | 0 | 0 | 113.3 | R562 F563 L564 E568 | R562-Q566 WeakPolarHBondContact O-CG 3.37Å; R562-Q566 PolarHBondContact O-N 2.74Å; R562-Q566 VanDerWaalsContact O-N 3.17Å; F563-Q566 PolarHBondContact O-N 2.74Å; F563-Q566 VanDerWaalsContact O-N 3.1Å; L564-Q566 PolarHBondContact O-N 3.15Å; Q566-E568 PolarHBondContact O-N 3.31Å |
| 567 | L | 87.4 | Confident | 91.8 | Very high | 62 Ų | 62 | 34.5 Ų | 34.5 | 33% | 0.325 | 19% | 0.186 | S | C | . | . | trans | -68.6 | 125.4 | 178.5 | -65.3 | 178.1 | 0 | 0 | 0 | 110.5 | F563 L564 D569 G570 | F563-L567 HydrophobicContact CE1-CD1 4.19Å; F563-L567 HydrophobicContact CE1-CD2 4.07Å; F563-L567 HydrophobicContact CE1-CG 4.36Å; F563-L567 HydrophobicContact CZ-CD2 3.98Å; F563-L567 PolarHBondContact O-N 3.27Å; L564-L567 HydrophobicContact CD2-CD1 3.85Å; L564-L567 PolarHBondContact O-N 3.34Å; L567-D569 PolarHBondContact O-N 2.89Å; L567-G570 PolarHBondContact O-N 3.09Å | ||
| 568 | E | 69.5 | Low | 91.8 | Very high | 194 Ų | 194 | 34.5 Ų | 34.5 | 91% | 0.907 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -38.7 | -179.6 | -63.8 | -177.3 | 165.8 | 0 | 0 | 112.2 | Q566 | Q566-E568 PolarHBondContact O-N 3.31Š|
| 569 | D | 71.7 | Confident | 91.8 | Very high | 139 Ų | 139 | 34.6 Ų | 34.6 | 74% | 0.743 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -3.6 | 178.4 | -71.7 | -32.4 | 0 | 0 | 0 | 114.5 | L567 G571 | L567-D569 PolarHBondContact O-N 2.89Å; D569-G571 VanDerWaalsContact C-N 3.35Å; D569-G571 PolarHBondContact O-N 2.8Å |
| 570 | G | 67.7 | Low | 91.7 | Very high | 29 Ų | 29 | 36.1 Ų | 36.1 | 30% | 0.299 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -31.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L567 T572 | L567-G570 PolarHBondContact O-N 3.09Å; G570-T572 PolarHBondContact O-N 2.96Å; G570-T572 PolarHBondContact O-OG1 2.95Å |
| 571 | G | 83.8 | Confident | 91.7 | Very high | 29 Ų | 29 | 37 Ų | 37 | 30% | 0.299 | 20% | 0.198 | S | C | . | . | trans | 56.9 | 12.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | N542 R543 D569 | N542-G571 CarbonylContact C-O 3.3Å; N542-G571 VanDerWaalsContact CA-O 3.23Å; N542-G571 WeakPolarHBondContact CA-O 3.37Å; N542-G571 WeakPolarHBondContact OD1-CA 3.34Å; R543-G571 PolarHBondContact N-O 3.2Å; D569-G571 VanDerWaalsContact C-N 3.35Å; D569-G571 PolarHBondContact O-N 2.8Å | ||
| 572 | T | 91.9 | Very high | 91.7 | Very high | 7 Ų | 7 | 37.5 Ų | 37.5 | 4% | 0.043 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 130.7 | -174.3 | -50.2 | 0 | 0 | 0 | 0 | 109.9 | S504 R543 T545 S565 G570 Y574 | S504-T572 WeakPolarHBondContact CB-OG1 3.4Å; S504-T572 PolarHBondContact OG-OG1 2.95Å; R543-T572 HydrophobicContact CB-CG2 4.49Å; R543-T572 CarbonylContact O-C 3.51Å; R543-T572 VanDerWaalsContact O-CA 3.23Å; R543-T572 WeakPolarHBondContact O-CA 3.44Å; T545-T572 WeakPolarHBondContact OG1-CG2 3.42Å; S565-T572 WeakPolarHBondContact CA-O 3.24Å; G570-T572 PolarHBondContact O-N 2.96Å; G570-T572 PolarHBondContact O-OG1 2.95Å; T572-Y574 HydrophobicContact CG2-CD1 4.18Å; T572-Y574 HydrophobicContact CG2-CE1 3.76Å; T572-Y574 HydrophobicContact CG2-CE2 4.19Å |
| 573 | E | 93.9 | Very high | 91.7 | Very high | 40 Ų | 40 | 37.6 Ų | 37.6 | 19% | 0.187 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 132.6 | 168.7 | -176.2 | 177.2 | 157.1 | 0 | 0 | 108.3 | R9 R543 V544 T545 | R9-E573 WeakPolarHBondContact CD-OE2 3.23Å; R9-E573 WeakPolarHBondContact CG-OE2 3.36Å; R9-E573 PolarHBondContact N-OE1 2.96Å; R9-E573 IonicContact NE-OE2 3.7Å; R9-E573 PolarHBondContact NE-OE2 3.46Å; R543-E573 PolarHBondContact O-N 2.82Å; V544-E573 WeakPolarHBondContact CA-O 3.46Å; T545-E573 PolarHBondContact N-O 3Å |
| 574 | Y | 96.6 | Very high | 91.7 | Very high | 10 Ų | 10 | 36.3 Ų | 36.3 | 4% | 0.039 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 130 | -178.3 | -63.2 | -75.3 | 0 | 0 | 0 | 110.9 | A500 S504 T545 I547 L561 L564 S565 T572 | A500-Y574 HydrophobicContact CB-CE1 4.39Å; A500-Y574 PolarHBondContact O-OH 2.93Å; S504-Y574 PolarHBondContact OG-OH 3.4Å; T545-Y574 HydrophobicContact CG2-CD1 4.13Å; T545-Y574 HydrophobicContact CG2-CE1 4.19Å; T545-Y574 WeakPolarHBondContact O-CA 3.5Å; I547-Y574 HydrophobicContact CD1-CD1 3.44Å; I547-Y574 VanDerWaalsContact CD1-CD1 3.44Å; I547-Y574 HydrophobicContact CD1-CE1 3.88Å; I547-Y574 HydrophobicContact CD1-CG 4.17Å; I547-Y574 HydrophobicContact CG1-CD1 3.94Å; L561-Y574 HydrophobicContact CD2-CD1 4.22Å; L561-Y574 HydrophobicContact CD2-CD2 4.09Å; L561-Y574 HydrophobicContact CD2-CE2 4.45Å; L561-Y574 HydrophobicContact CD2-CG 3.95Å; L564-Y574 HydrophobicContact CB-CD2 4.2Å; L564-Y574 HydrophobicContact CB-CE2 3.75Å; L564-Y574 HydrophobicContact CD1-CE2 4.23Å; S565-Y574 WeakPolarHBondContact OG-CD2 3.37Å; S565-Y574 PolarHBondContact OG-N 2.9Å; T572-Y574 HydrophobicContact CG2-CD1 4.18Å; T572-Y574 HydrophobicContact CG2-CE1 3.76Å; T572-Y574 HydrophobicContact CG2-CE2 4.19Å |
| 575 | V | 97.9 | Very high | 91.8 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 132.9 | 164.4 | 178.4 | 0 | 0 | 0 | 0 | 107 | V10 L12 F224 V544 T545 L546 I547 | V10-V575 HydrophobicContact CB-CG2 4.32Å; V10-V575 HydrophobicContact CG2-CG2 3.79Å; L12-V575 HydrophobicContact CD1-CG1 4.49Å; F224-V575 HydrophobicContact CE1-CB 3.87Å; F224-V575 HydrophobicContact CE1-CG1 4.15Å; F224-V575 HydrophobicContact CE1-CG2 3.93Å; F224-V575 HydrophobicContact CZ-CG1 4.46Å; V544-V575 HydrophobicContact CG1-CG2 4.17Å; T545-V575 PolarHBondContact O-N 3.02Å; L546-V575 CarbonylContact C-O 3.46Å; L546-V575 WeakPolarHBondContact CA-O 3.33Å; L546-V575 HydrophobicContact CD1-CB 4.21Å; L546-V575 HydrophobicContact CD1-CG1 3.96Å; I547-V575 PolarHBondContact N-O 3.2Å |
| 576 | I | 98.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 128.7 | -173.4 | -56.4 | 92 | 0 | 0 | 0 | 109 | D150 L151 L152 I547 F549 V553 I558 L561 | D150-I576 PolarHBondContact O-N 3.41Å; L151-I576 CarbonylContact C-O 3.21Å; L151-I576 WeakPolarHBondContact CA-O 3.49Å; L151-I576 HydrophobicContact CD1-CB 3.89Å; L151-I576 HydrophobicContact CD1-CG2 3.89Å; L152-I576 PolarHBondContact N-O 3.11Å; I547-I576 CarbonylContact O-C 3.46Å; F549-I576 HydrophobicContact CD2-CG2 3.98Å; F549-I576 HydrophobicContact CE2-CG2 4.11Å; V553-I576 HydrophobicContact CG1-CG2 4.42Å; I558-I576 HydrophobicContact CG1-CG2 4.45Å; I558-I576 HydrophobicContact CG2-CD1 4.48Å; L561-I576 HydrophobicContact CB-CD1 4.32Å; L561-I576 HydrophobicContact CB-CG1 4.48Å; L561-I576 HydrophobicContact CD1-CD1 4.35Å; L561-I576 HydrophobicContact CD1-CG1 3.63Å |
| 577 | A | 98.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 149.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | L152 L546 I547 F548 F549 | L152-A577 HydrophobicContact CB-CB 4.14Å; L152-A577 CarbonylContact O-C 3.54Å; L152-A577 VanDerWaalsContact O-CA 3.3Å; L152-A577 WeakPolarHBondContact O-CA 3.34Å; L546-A577 HydrophobicContact CD1-CB 4.01Å; I547-A577 PolarHBondContact O-N 3.3Å; F548-A577 CarbonylContact C-O 3.55Å; F548-A577 VanDerWaalsContact CA-O 3.27Å; F548-A577 WeakPolarHBondContact CA-O 3.31Å; F548-A577 HydrophobicContact CB-CB 4.34Å; F548-A577 HydrophobicContact CD1-CB 4.45Å; F548-A577 HydrophobicContact CD2-CB 3.47Å; F548-A577 VanDerWaalsContact CD2-CB 3.47Å; F548-A577 HydrophobicContact CE2-CB 3.78Å; F548-A577 HydrophobicContact CG-CB 3.85Å; F548-A577 HydrophobicContact CZ-CB 4.37Å; F549-A577 PolarHBondContact N-O 3.47Å |
| 578 | T | 98.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 156.1 | 178.9 | -168.8 | 0 | 0 | 0 | 0 | 111.5 | L152 S153 M154 F549 G552 V553 K580 L581 | L152-T578 PolarHBondContact O-N 3.31Å; L152-T578 VanDerWaalsContact O-N 3.08Å; S153-T578 CarbonylContact C-O 3.3Å; S153-T578 WeakPolarHBondContact CA-O 3.32Å; M154-T578 PolarHBondContact N-O 3.47Å; F549-T578 WeakPolarHBondContact O-CA 3.42Å; F549-T578 PolarHBondContact O-OG1 3.38Å; G552-T578 VanDerWaalsContact CA-OG1 3.31Å; G552-T578 WeakPolarHBondContact CA-OG1 3.25Å; V553-T578 HydrophobicContact CG1-CG2 3.73Å; V553-T578 PolarHBondContact N-OG1 2.93Å; T578-K580 VanDerWaalsContact C-N 3.33Å; T578-K580 PolarHBondContact OG1-N 2.81Å; T578-K580 PolarHBondContact OG1-O 3.06Å; T578-L581 HydrophobicContact CG2-CD2 4.3Å; T578-L581 HydrophobicContact CG2-CG 4.38Å |
| 579 | T | 98.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -66.4 | -39.4 | 168 | 54.4 | 0 | 0 | 0 | 0 | 111.2 | M154 E155 S156 A159 F548 F549 L550 G551 G552 | M154-T579 HydrophobicContact SD-CG2 3.83Å; E155-T579 PolarHBondContact N-O 3.31Å; S156-T579 PolarHBondContact N-O 3.02Å; A159-T579 HydrophobicContact CB-CG2 3.88Å; F548-T579 HydrophobicContact CE1-CG2 4.2Å; F549-T579 PolarHBondContact O-N 3.32Å; F549-T579 VanDerWaalsContact O-N 3.09Å; L550-T579 HydrophobicContact CD2-CG2 4.36Å; G551-T579 VanDerWaalsContact CA-OG1 3.29Å; G551-T579 WeakPolarHBondContact CA-OG1 3.35Å; G551-T579 PolarHBondContact N-OG1 2.89Å; G552-T579 PolarHBondContact N-OG1 2.94Å |
| 580 | K | 97.7 | Very high | 95 | Very high | 33 Ų | 33 | 20 Ų | 20 | 14% | 0.143 | 12% | 0.124 | C | C | . | . | trans | -158.5 | 139 | -179 | -175.4 | 58.2 | -170.2 | 161.2 | 0 | 111.8 | E155 E157 G552 V553 T578 | E155-K580 VanDerWaalsContact CD-NZ 3.28Å; E155-K580 IonicContact OE1-NZ 2.71Å; E155-K580 PolarHBondContact OE1-NZ 2.9Å; E155-K580 IonicContact OE2-NZ 3.83Å; E155-K580 PolarHBondContact OE2-NZ 3.5Å; E157-K580 HydrophobicContact CG-CD 4.25Å; G552-K580 CarbonylContact C-O 3.56Å; G552-K580 WeakPolarHBondContact CA-O 3.28Å; V553-K580 PolarHBondContact N-O 3.45Å; T578-K580 VanDerWaalsContact C-N 3.33Å; T578-K580 PolarHBondContact OG1-N 2.81Å; T578-K580 PolarHBondContact OG1-O 3.06Å | ||
| 581 | L | 98.2 | Very high | 96.3 | Very high | 18 Ų | 18 | 18.7 Ų | 18.7 | 9% | 0.094 | 11% | 0.11 | C | C | . | . | B | Isolated β-bridge | trans | -73.7 | 124.6 | 163.2 | -67.1 | 169.9 | 0 | 0 | 0 | 109 | F147 L151 V553 F555 I558 T578 | F147-L581 HydrophobicContact CD1-CD1 3.66Å; F147-L581 HydrophobicContact CE1-CD1 3.59Å; F147-L581 HydrophobicContact CG-CD1 4.31Å; F147-L581 HydrophobicContact CZ-CD1 4.24Å; L151-L581 HydrophobicContact CD1-CD2 4.25Å; L151-L581 HydrophobicContact CD2-CD1 4.23Å; L151-L581 HydrophobicContact CD2-CD2 4.15Å; V553-L581 HydrophobicContact CG1-CD2 3.88Å; F555-L581 HydrophobicContact CE1-CD1 4.35Å; F555-L581 HydrophobicContact CE1-CD2 4.49Å; F555-L581 HydrophobicContact CZ-CD1 4.09Å; I558-L581 HydrophobicContact CD1-CD2 3.46Å; I558-L581 VanDerWaalsContact CD1-CD2 3.46Å; T578-L581 HydrophobicContact CG2-CD2 4.3Å; T578-L581 HydrophobicContact CG2-CG 4.38Å |
| 582 | M | 96.9 | Very high | 96.9 | Very high | 11 Ų | 11 | 19.1 Ų | 19.1 | 5% | 0.054 | 10% | 0.104 | C | C | . | . | trans | -139.3 | 164.8 | -173.8 | 66.5 | 156.5 | 76 | 0 | 0 | 112.5 | P239 G551 G552 V553 T554 W587 | P239-M582 HydrophobicContact CB-SD 4.12Å; P239-M582 HydrophobicContact CG-SD 4.41Å; G551-M582 WeakPolarHBondContact O-CE 3.4Å; G552-M582 VanDerWaalsContact CA-CE 3.5Å; V553-M582 PolarHBondContact O-N 3.35Å; T554-M582 WeakPolarHBondContact CA-O 3.16Å; M582-W587 HydrophobicContact CE-CG 4.25Å; M582-W587 HydrophobicContact SD-CB 3.9Å; M582-W587 HydrophobicContact SD-CD2 4.22Å; M582-W587 HydrophobicContact SD-CG 3.86Å | ||
| 583 | N | 97.9 | Very high | 96.7 | Very high | 10 Ų | 10 | 22 Ų | 22 | 5% | 0.053 | 12% | 0.117 | C | C | . | . | trans | -134 | 175.8 | 162 | 59.4 | 48.1 | 0 | 0 | 0 | 110.3 | D251 T585 S586 W587 | D251-N583 PolarHBondContact O-ND2 3.39Å; D251-N583 PolarHBondContact OD1-ND2 3.34Å; D251-N583 VanDerWaalsContact OD2-CB 3.31Å; D251-N583 WeakPolarHBondContact OD2-CB 3.47Å; D251-N583 PolarHBondContact OD2-ND2 3.3Å; N583-T585 PolarHBondContact O-N 2.98Å; N583-T585 WeakPolarHBondContact OD1-CA 3.32Å; N583-T585 WeakPolarHBondContact OD1-CB 3.26Å; N583-T585 PolarHBondContact OD1-N 2.73Å; N583-S586 PolarHBondContact N-OG 2.8Å; N583-S586 PolarHBondContact O-N 3.35Å; N583-S586 PolarHBondContact O-OG 3.43Å; N583-S586 PolarHBondContact OD1-N 2.93Å; N583-S586 PolarHBondContact OD1-OG 3.21Å; N583-W587 WeakPolarHBondContact O-CB 3.3Å; N583-W587 PolarHBondContact O-N 3.07Å | ||
| 584 | G | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59 | -32 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | P239 I588 | P239-G584 WeakPolarHBondContact O-CA 3.17Å; P239-G584 PolarHBondContact O-N 3.04Å; G584-I588 WeakPolarHBondContact O-CB 3.39Å; G584-I588 VanDerWaalsContact O-CG1 3.24Å; G584-I588 WeakPolarHBondContact O-CG1 3.41Å; G584-I588 PolarHBondContact O-N 3.24Å; G584-I588 VanDerWaalsContact O-N 3.15Å |
| 585 | T | 97.8 | Very high | 94 | Very high | 40 Ų | 40 | 32.4 Ų | 32.4 | 25% | 0.245 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.6 | -58.7 | 176.8 | -59.7 | 0 | 0 | 0 | 0 | 110.6 | I404 R408 N583 W587 I588 E589 | I404-T585 HydrophobicContact CD1-CG2 4.29Å; I404-T585 HydrophobicContact CG2-CG2 4.07Å; R408-T585 PolarHBondContact NH1-OG1 3.29Å; N583-T585 PolarHBondContact O-N 2.98Å; N583-T585 WeakPolarHBondContact OD1-CA 3.32Å; N583-T585 WeakPolarHBondContact OD1-CB 3.26Å; N583-T585 PolarHBondContact OD1-N 2.73Å; T585-W587 PolarHBondContact O-N 3.27Å; T585-I588 PolarHBondContact O-N 3.02Å; T585-E589 WeakPolarHBondContact O-CB 3.46Å; T585-E589 WeakPolarHBondContact O-CG 3.41Å; T585-E589 PolarHBondContact O-N 3.18Å |
| 586 | S | 96.4 | Very high | 91.7 | Very high | 41 Ų | 41 | 44.7 Ų | 44.7 | 29% | 0.287 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58 | -33.5 | 179.9 | 62.4 | 0 | 0 | 0 | 0 | 113 | N583 A590 | N583-S586 PolarHBondContact N-OG 2.8Å; N583-S586 PolarHBondContact O-N 3.35Å; N583-S586 PolarHBondContact O-OG 3.43Å; N583-S586 PolarHBondContact OD1-N 2.93Å; N583-S586 PolarHBondContact OD1-OG 3.21Å; S586-A590 WeakPolarHBondContact O-CB 3.37Å; S586-A590 PolarHBondContact O-N 3.12Å |
| 587 | W | 97.2 | Very high | 91.4 | Very high | 5 Ų | 5 | 47 Ų | 47 | 2% | 0.019 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -73.5 | -45 | 179.4 | -175.2 | 35.2 | 0 | 0 | 0 | 112.4 | F160 R232 L236 P239 L240 L452 M582 N583 T585 A590 L591 | F160-W587 HydrophobicContact CD1-CZ2 4.49Å; F160-W587 AromaticContact CD1-NE1 3.28Å; F160-W587 VanDerWaalsContact CD1-NE1 3.28Å; F160-W587 HydrophobicContact CD2-CZ2 4.21Å; F160-W587 AromaticContact CD2-NE1 3.73Å; F160-W587 AromaticContact CE1-CZ2 3.97Å; F160-W587 HydrophobicContact CE1-CZ2 3.97Å; F160-W587 AromaticContact CE1-NE1 3.56Å; F160-W587 AromaticContact CE2-CZ2 3.66Å; F160-W587 HydrophobicContact CE2-CZ2 3.66Å; F160-W587 AromaticContact CE2-NE1 4Å; F160-W587 AromaticContact CG-NE1 3.38Å; F160-W587 AromaticContact CZ-CZ2 3.54Å; F160-W587 HydrophobicContact CZ-CZ2 3.54Å; F160-W587 AromaticContact CZ-NE1 3.93Å; R232-W587 HydrophobicContact CG-CZ2 4.31Å; L236-W587 HydrophobicContact CB-CH2 4.1Å; L236-W587 HydrophobicContact CD2-CH2 3.54Å; L236-W587 HydrophobicContact CD2-CZ2 3.67Å; L236-W587 HydrophobicContact CG-CH2 4.43Å; P239-W587 HydrophobicContact CB-CD2 4.49Å; P239-W587 HydrophobicContact CB-CE3 3.65Å; P239-W587 HydrophobicContact CB-CZ3 3.75Å; P239-W587 HydrophobicContact CG-CE3 4.19Å; P239-W587 HydrophobicContact CG-CH2 4.39Å; P239-W587 HydrophobicContact CG-CZ3 3.87Å; L240-W587 HydrophobicContact CD2-CE3 4.2Å; L240-W587 HydrophobicContact CD2-CZ3 4.01Å; L240-W587 HydrophobicContact CG-CE3 4.5Å; L240-W587 HydrophobicContact CG-CZ3 3.93Å; L452-W587 HydrophobicContact CD1-CH2 4.28Å; L452-W587 HydrophobicContact CD1-CZ2 4.16Å; L452-W587 HydrophobicContact CD2-CH2 3.6Å; L452-W587 HydrophobicContact CD2-CZ2 4.21Å; L452-W587 HydrophobicContact CD2-CZ3 4.01Å; L452-W587 HydrophobicContact CG-CH2 4.42Å; M582-W587 HydrophobicContact CE-CG 4.25Å; M582-W587 HydrophobicContact SD-CB 3.9Å; M582-W587 HydrophobicContact SD-CD2 4.22Å; M582-W587 HydrophobicContact SD-CG 3.86Å; N583-W587 WeakPolarHBondContact O-CB 3.3Å; N583-W587 PolarHBondContact O-N 3.07Å; T585-W587 PolarHBondContact O-N 3.27Å; W587-A590 PolarHBondContact O-N 3.11Å; W587-L591 WeakPolarHBondContact O-CG 3.48Å; W587-L591 PolarHBondContact O-N 3.26Å |
| 588 | I | 97.7 | Very high | 91 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.6 | -43.7 | 174.1 | -67.4 | -62.4 | 0 | 0 | 0 | 110.2 | L240 I404 L407 R408 L447 L452 G584 T585 A590 L591 M592 | L240-I588 HydrophobicContact CD2-CD1 4.12Å; L240-I588 HydrophobicContact CD2-CG1 4.47Å; I404-I588 HydrophobicContact CG1-CG2 4.44Å; I404-I588 HydrophobicContact CG2-CB 4.19Å; I404-I588 HydrophobicContact CG2-CG2 4.14Å; L407-I588 HydrophobicContact CB-CG2 3.97Å; L407-I588 HydrophobicContact CD1-CG2 3.93Å; R408-I588 HydrophobicContact CG-CG1 3.75Å; L447-I588 HydrophobicContact CD2-CD1 3.85Å; L452-I588 HydrophobicContact CD1-CD1 4.43Å; G584-I588 WeakPolarHBondContact O-CB 3.39Å; G584-I588 VanDerWaalsContact O-CG1 3.24Å; G584-I588 WeakPolarHBondContact O-CG1 3.41Å; G584-I588 PolarHBondContact O-N 3.24Å; G584-I588 VanDerWaalsContact O-N 3.15Å; T585-I588 PolarHBondContact O-N 3.02Å; I588-A590 VanDerWaalsContact C-N 3.3Å; I588-A590 PolarHBondContact O-N 3.4Å; I588-L591 PolarHBondContact O-N 3.25Å; I588-M592 HydrophobicContact CG2-CG 4.39Å; I588-M592 HydrophobicContact CG2-SD 4.31Å; I588-M592 WeakPolarHBondContact O-CG 3.39Å; I588-M592 PolarHBondContact O-N 3.37Å |
| 589 | E | 96.1 | Very high | 90.5 | Very high | 104 Ų | 104 | 52.2 Ų | 52.2 | 49% | 0.486 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -56.2 | -42.2 | 175.2 | -75.1 | 177.2 | 167.6 | 0 | 0 | 112.5 | I404 T585 L591 M592 | I404-E589 HydrophobicContact CD1-CG 3.45Å; I404-E589 VanDerWaalsContact CD1-CG 3.45Å; I404-E589 VanDerWaalsContact CD1-OE1 3.3Å; I404-E589 WeakPolarHBondContact CD1-OE1 3.45Å; I404-E589 HydrophobicContact CG1-CG 4.24Å; T585-E589 WeakPolarHBondContact O-CB 3.46Å; T585-E589 WeakPolarHBondContact O-CG 3.41Å; T585-E589 PolarHBondContact O-N 3.18Å; E589-L591 PolarHBondContact O-N 2.66Å; E589-M592 WeakPolarHBondContact O-CB 3.45Å; E589-M592 PolarHBondContact O-N 3.04Å |
| 590 | A | 95 | Very high | 90.1 | Very high | 39 Ų | 39 | 55.2 Ų | 55.2 | 32% | 0.322 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.1 | -25.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K161 S586 W587 I588 | K161-A590 WeakPolarHBondContact CD-O 3.45Å; S586-A590 WeakPolarHBondContact O-CB 3.37Å; S586-A590 PolarHBondContact O-N 3.12Å; W587-A590 PolarHBondContact O-N 3.11Å; I588-A590 VanDerWaalsContact C-N 3.3Å; I588-A590 PolarHBondContact O-N 3.4Å |
| 591 | L | 95.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -90.7 | -14.8 | 177.9 | -63.6 | 173.7 | 0 | 0 | 0 | 113.3 | F160 K161 L165 N446 L447 L452 W587 I588 E589 | F160-L591 HydrophobicContact CD1-CD2 3.89Å; F160-L591 HydrophobicContact CE1-CD1 4.34Å; F160-L591 HydrophobicContact CE1-CD2 4.05Å; K161-L591 HydrophobicContact CB-CD2 4.43Å; L165-L591 HydrophobicContact CD1-CD2 3.52Å; L165-L591 HydrophobicContact CG-CD2 4.26Å; N446-L591 WeakPolarHBondContact CB-O 3.35Å; N446-L591 PolarHBondContact ND2-O 3.44Å; L447-L591 HydrophobicContact CD2-CB 4.25Å; L447-L591 HydrophobicContact CD2-CD1 3.96Å; L452-L591 HydrophobicContact CD1-CD1 3.4Å; L452-L591 VanDerWaalsContact CD1-CD1 3.4Å; W587-L591 WeakPolarHBondContact O-CG 3.48Å; W587-L591 PolarHBondContact O-N 3.26Å; I588-L591 PolarHBondContact O-N 3.25Å; E589-L591 PolarHBondContact O-N 2.66Å |
| 592 | M | 94.9 | Very high | 89 | Confident | 38 Ų | 38 | 59.1 Ų | 59.1 | 19% | 0.187 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -70.6 | 138.8 | 176 | -70.4 | 175.8 | 69.7 | 0 | 0 | 110.5 | L403 I404 T443 I588 E589 | L403-M592 HydrophobicContact CD2-CE 3.95Å; I404-M592 HydrophobicContact CG1-SD 3.9Å; T443-M592 HydrophobicContact CG2-CB 4.29Å; T443-M592 HydrophobicContact CG2-CG 3.7Å; I588-M592 HydrophobicContact CG2-CG 4.39Å; I588-M592 HydrophobicContact CG2-SD 4.31Å; I588-M592 WeakPolarHBondContact O-CG 3.39Å; I588-M592 PolarHBondContact O-N 3.37Å; E589-M592 WeakPolarHBondContact O-CB 3.45Å; E589-M592 PolarHBondContact O-N 3.04Å |
| 593 | E | 87.4 | Confident | 88.5 | Confident | 68 Ų | 68 | 62.6 Ų | 62.6 | 32% | 0.318 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -84.9 | 125.6 | 168.9 | -158.4 | 59.4 | -149.7 | 0 | 0 | 107.9 | K161 L442 T443 | K161-E593 IonicContact NZ-OE2 3.58Å; K161-E593 PolarHBondContact NZ-OE2 3.15Å; L442-E593 HydrophobicContact CB-CB 4Å; L442-E593 HydrophobicContact CB-CG 4.29Å; L442-E593 HydrophobicContact CD1-CG 4.14Å; T443-E593 PolarHBondContact OG1-N 3Å |
| 594 | K | 74.6 | Confident | 87.7 | Confident | 181 Ų | 181 | 66.6 Ų | 66.6 | 79% | 0.787 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 133.8 | 175.2 | -67.6 | -176.7 | -179.6 | -179.9 | 0 | 107.8 | F596 | K594-F596 PolarHBondContact O-N 2.69Š|
| 595 | P | 60.3 | Low | 86.9 | Confident | 88 Ų | 88 | 72.2 Ų | 72.2 | 57% | 0.571 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 139.1 | 171.7 | 21.9 | -29.2 | 0 | 0 | 0 | 109.2 | E439 | E439-P595 HydrophobicContact CG-CB 4.49Š|
| 596 | F | 49.6 | Very low | 85.9 | Confident | 260 Ų | 260 | 75.1 Ų | 75.1 | 100% | 1.14 | 38% | 0.375 | S | S | * | . | trans | -55.1 | 0 | 179.8 | -73.3 | -80.1 | 0 | 0 | 0 | 113.1 | K594 | K594-F596 PolarHBondContact O-N 2.69Š|
Retrieved 596 of 596 residues in 5079.8 ms
(Link to these results)