| 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 | 92.3 | Very high | 96.1 | Very high | 41 Ų | 41 | 61.5 Ų | 61.5 | 20% | 0.202 | 29% | 0.294 | C | S | . | . | 0 | 131.8 | 0 | -82.8 | -174.2 | -178.2 | 0 | 0 | 108.3 | V3 P87 F88 N89 F366 P367 | M1-V3 HydrophobicContact CB-CG2 4.48Å; M1-P87 PolarHBondContact N-O 3.08Å; M1-F88 HydrophobicContact CB-CD1 3.93Å; M1-F88 HydrophobicContact CB-CE1 4.45Å; M1-F88 CarbonylContact O-C 3.33Å; M1-F88 WeakPolarHBondContact O-CA 3.48Å; M1-F88 HydrophobicContact SD-CD1 4.19Å; M1-F88 HydrophobicContact SD-CE1 3.78Å; M1-N89 PolarHBondContact O-N 2.7Å; M1-F366 HydrophobicContact CE-CD1 3.54Å; M1-F366 HydrophobicContact CE-CD2 3.65Å; M1-F366 HydrophobicContact CE-CE1 3.3Å; M1-F366 HydrophobicContact CE-CE2 3.44Å; M1-F366 VanDerWaalsContact CE-CE2 3.44Å; M1-F366 HydrophobicContact CE-CG 3.7Å; M1-F366 HydrophobicContact CE-CZ 3.26Å; M1-F366 HydrophobicContact CG-CD1 3.73Å; M1-F366 HydrophobicContact CG-CE1 3.81Å; M1-F366 HydrophobicContact SD-CD1 3.9Å; M1-F366 HydrophobicContact SD-CE1 3.4Å; M1-F366 WeakPolarHBondContact SD-CE1 3.38Å; M1-F366 HydrophobicContact SD-CZ 3.78Å; M1-P367 HydrophobicContact CG-CG 4.43Å | |||
| 2 | E | 94.9 | Very high | 96.2 | Very high | 69 Ų | 69 | 57 Ų | 57 | 32% | 0.322 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 115.1 | 178.3 | -61.4 | -69.6 | 96.7 | 0 | 0 | 110.3 | N7 N89 Y91 K125 | E2-N7 PolarHBondContact O-ND2 2.76Å; E2-N89 VanDerWaalsContact OE1-CB 3.27Å; E2-N89 WeakPolarHBondContact OE1-CB 3.4Å; E2-N89 PolarHBondContact OE1-ND2 3.03Å; E2-Y91 VanDerWaalsContact OE2-CE2 3.27Å; E2-Y91 WeakPolarHBondContact OE2-CE2 3.39Å; E2-Y91 PolarHBondContact OE2-OH 3.41Å; E2-K125 IonicContact OE2-NZ 2.65Å; E2-K125 PolarHBondContact OE2-NZ 2.97Å |
| 3 | V | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 118.4 | -174.8 | -165.1 | 0 | 0 | 0 | 0 | 110.1 | M1 N7 F8 C11 F88 N89 F90 Y91 I131 | M1-V3 HydrophobicContact CB-CG2 4.48Å; V3-N7 WeakPolarHBondContact CA-OD1 3.33Å; V3-F8 HydrophobicContact CG1-CB 4.22Å; V3-F8 HydrophobicContact CG1-CD2 3.86Å; V3-C11 HydrophobicContact CG1-CB 4.41Å; V3-F88 HydrophobicContact CG2-CD1 4.24Å; V3-N89 WeakPolarHBondContact CA-O 3.41Å; V3-N89 WeakPolarHBondContact CB-O 3.21Å; V3-N89 PolarHBondContact N-O 2.9Å; V3-F90 HydrophobicContact CB-CD1 3.64Å; V3-F90 HydrophobicContact CB-CE1 3.95Å; V3-F90 HydrophobicContact CB-CG 4.37Å; V3-F90 HydrophobicContact CG1-CD1 3.75Å; V3-F90 HydrophobicContact CG1-CE1 3.87Å; V3-F90 HydrophobicContact CG2-CD1 4.09Å; V3-F90 HydrophobicContact CG2-CE1 3.94Å; V3-F90 HydrophobicContact CG2-CZ 4.5Å; V3-Y91 PolarHBondContact O-N 3.45Å; V3-I131 HydrophobicContact CG1-CD1 4.07Å |
| 4 | T | 98.1 | Very high | 96.3 | Very high | 15 Ų | 15 | 58.4 Ų | 58.4 | 9% | 0.092 | 30% | 0.298 | C | S | . | . | trans | -126.5 | 176 | 179.3 | 69.7 | 0 | 0 | 0 | 0 | 109.6 | Q6 N7 F8 Y91 K125 H129 I131 | T4-Q6 PolarHBondContact O-N 2.9Å; T4-Q6 PolarHBondContact OG1-N 2.81Å; T4-N7 PolarHBondContact N-OD1 2.91Å; T4-N7 PolarHBondContact O-N 3.45Å; T4-N7 PolarHBondContact O-OD1 3.21Å; T4-F8 VanDerWaalsContact O-CB 3.28Å; T4-F8 WeakPolarHBondContact O-CB 3.33Å; T4-F8 PolarHBondContact O-N 3.24Å; T4-Y91 HydrophobicContact CG2-CD2 3.97Å; T4-Y91 HydrophobicContact CG2-CG 4.49Å; T4-K125 HydrophobicContact CG2-CB 4.26Å; T4-K125 HydrophobicContact CG2-CG 4.4Å; T4-H129 WeakPolarHBondContact CB-O 3.26Å; T4-H129 HydrophobicContact CG2-CB 4.4Å; T4-I131 VanDerWaalsContact C-CG1 3.41Å | ||
| 5 | R | 97.1 | Very high | 96.4 | Very high | 95 Ų | 95 | 54.6 Ų | 54.6 | 36% | 0.358 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -29.1 | 176.1 | -172.9 | 172.7 | 68.2 | -130.5 | -1.2 | 113.4 | G128 H129 G130 | R5-G128 PolarHBondContact NH1-O 3.21Å; R5-G128 PolarHBondContact NH2-O 3Å; R5-H129 WeakPolarHBondContact CB-O 2.72Å; R5-H129 PolarHBondContact N-O 2.65Å; R5-G130 WeakPolarHBondContact CB-O 3.31Å; R5-G130 PolarHBondContact NH1-O 3.46Å |
| 6 | Q | 96.5 | Very high | 96.5 | Very high | 140 Ų | 140 | 55.8 Ų | 55.8 | 65% | 0.654 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -36.2 | -176.5 | -68.4 | 179.6 | -13.8 | 0 | 0 | 113.1 | T4 H129 | T4-Q6 PolarHBondContact O-N 2.9Å; T4-Q6 PolarHBondContact OG1-N 2.81Å; Q6-H129 PolarHBondContact NE2-CE1 3.44Å; Q6-H129 PolarHBondContact NE2-ND1 3.05Å |
| 7 | N | 96.9 | Very high | 96.6 | Very high | 51 Ų | 51 | 54.8 Ų | 54.8 | 27% | 0.273 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | -4.1 | -175.3 | 66.2 | -4.6 | 0 | 0 | 0 | 113.6 | E2 V3 T4 K9 D10 C11 | E2-N7 PolarHBondContact O-ND2 2.76Å; V3-N7 WeakPolarHBondContact CA-OD1 3.33Å; T4-N7 PolarHBondContact N-OD1 2.91Å; T4-N7 PolarHBondContact O-N 3.45Å; T4-N7 PolarHBondContact O-OD1 3.21Å; N7-K9 VanDerWaalsContact C-N 3.32Å; N7-K9 PolarHBondContact O-N 2.92Å; N7-D10 PolarHBondContact O-N 3Å; N7-D10 VanDerWaalsContact O-N 3.11Å; N7-C11 PolarHBondContact O-N 2.84Å; N7-C11 PolarHBondContact O-SG 3Å; N7-C11 VanDerWaalsContact O-SG 3.37Å |
| 8 | F | 97.8 | Very high | 96.7 | Very high | 13 Ų | 13 | 51.8 Ų | 51.8 | 6% | 0.057 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -53 | -45.9 | -176.4 | 179.5 | -112.7 | 0 | 0 | 0 | 113.4 | V3 T4 D10 C11 L12 F90 I131 G269 F270 V273 | V3-F8 HydrophobicContact CG1-CB 4.22Å; V3-F8 HydrophobicContact CG1-CD2 3.86Å; T4-F8 VanDerWaalsContact O-CB 3.28Å; T4-F8 WeakPolarHBondContact O-CB 3.33Å; T4-F8 PolarHBondContact O-N 3.24Å; F8-D10 PolarHBondContact O-N 2.82Å; F8-C11 PolarHBondContact O-N 2.81Å; F8-L12 HydrophobicContact CE1-CD1 4.45Å; F8-L12 HydrophobicContact CE2-CD1 4.06Å; F8-L12 HydrophobicContact CZ-CD1 3.83Å; F8-L12 WeakPolarHBondContact O-CB 3.28Å; F8-L12 PolarHBondContact O-N 3.06Å; F8-F90 HydrophobicContact CD2-CD1 4.36Å; F8-F90 HydrophobicContact CD2-CE1 4.44Å; F8-F90 HydrophobicContact CE2-CD1 4.29Å; F8-F90 HydrophobicContact CE2-CE1 4.25Å; F8-I131 HydrophobicContact CB-CD1 4.19Å; F8-I131 HydrophobicContact CB-CG1 4.07Å; F8-I131 HydrophobicContact CB-CG2 4.33Å; F8-I131 HydrophobicContact CD1-CG2 3.79Å; F8-I131 HydrophobicContact CD2-CD1 3.61Å; F8-I131 HydrophobicContact CD2-CG1 4.24Å; F8-I131 HydrophobicContact CD2-CG2 4.06Å; F8-I131 HydrophobicContact CE1-CG2 4.06Å; F8-I131 HydrophobicContact CE2-CD1 4.25Å; F8-I131 HydrophobicContact CE2-CG2 4.3Å; F8-I131 HydrophobicContact CG-CD1 4.08Å; F8-I131 HydrophobicContact CG-CG1 4.2Å; F8-I131 HydrophobicContact CG-CG2 3.8Å; F8-I131 HydrophobicContact CZ-CG2 4.3Å; F8-G269 WeakPolarHBondContact CE1-O 3.48Å; F8-G269 VanDerWaalsContact CZ-O 3.29Å; F8-G269 WeakPolarHBondContact CZ-O 3.38Å; F8-F270 HydrophobicContact CE2-CD2 4.38Å; F8-V273 HydrophobicContact CE2-CG2 3.72Å; F8-V273 HydrophobicContact CZ-CG2 3.93Å |
| 9 | K | 95.4 | Very high | 96.8 | Very high | 108 Ų | 108 | 49.3 Ų | 49.3 | 47% | 0.47 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61 | -44.9 | 179.8 | -174.3 | -175.4 | 177.9 | -171.2 | 0 | 111.7 | N7 L12 E262 | N7-K9 VanDerWaalsContact C-N 3.32Å; N7-K9 PolarHBondContact O-N 2.92Å; K9-L12 PolarHBondContact O-N 3.4Å; K9-E262 WeakPolarHBondContact CE-OE1 3.44Å; K9-E262 IonicContact NZ-OE1 2.68Å; K9-E262 PolarHBondContact NZ-OE1 3.15Å; K9-E262 IonicContact NZ-OE2 3.15Å; K9-E262 PolarHBondContact NZ-OE2 2.96Å; K9-E262 VanDerWaalsContact NZ-OE2 3.11Å |
| 10 | D | 95.3 | Very high | 96.9 | Very high | 121 Ų | 121 | 54.6 Ų | 54.6 | 65% | 0.647 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -71.6 | -34.4 | -176.4 | -58.8 | -28.6 | 0 | 0 | 0 | 111.5 | N7 F8 | N7-D10 PolarHBondContact O-N 3Å; N7-D10 VanDerWaalsContact O-N 3.11Å; F8-D10 PolarHBondContact O-N 2.82Å |
| 11 | C | 95.5 | Very high | 96.9 | Very high | 24 Ų | 24 | 55.8 Ų | 55.8 | 16% | 0.162 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -79.6 | -16.2 | 178 | -64.9 | 0 | 0 | 0 | 0 | 113.8 | V3 N7 F8 S13 T14 V15 | V3-C11 HydrophobicContact CG1-CB 4.41Å; N7-C11 PolarHBondContact O-N 2.84Å; N7-C11 PolarHBondContact O-SG 3Å; N7-C11 VanDerWaalsContact O-SG 3.37Å; F8-C11 PolarHBondContact O-N 2.81Å; C11-S13 PolarHBondContact O-N 3.09Å; C11-T14 WeakPolarHBondContact O-CB 3.47Å; C11-T14 PolarHBondContact O-N 3.45Å; C11-T14 VanDerWaalsContact O-N 3.1Å; C11-V15 WeakPolarHBondContact O-CG2 3.43Å; C11-V15 PolarHBondContact O-N 2.96Å |
| 12 | L | 96.2 | Very high | 97.2 | Very high | 7 Ų | 7 | 54.1 Ų | 54.1 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.2 | -36.5 | -167.3 | -169 | 61.2 | 0 | 0 | 0 | 113.8 | F8 K9 T14 V15 Y16 R272 V273 | F8-L12 HydrophobicContact CE1-CD1 4.45Å; F8-L12 HydrophobicContact CE2-CD1 4.06Å; F8-L12 HydrophobicContact CZ-CD1 3.83Å; F8-L12 WeakPolarHBondContact O-CB 3.28Å; F8-L12 PolarHBondContact O-N 3.06Å; K9-L12 PolarHBondContact O-N 3.4Å; L12-T14 VanDerWaalsContact C-N 3.33Å; L12-V15 PolarHBondContact O-N 2.83Å; L12-Y16 HydrophobicContact CD1-CD1 4.49Å; L12-Y16 HydrophobicContact CD1-CE1 3.91Å; L12-Y16 HydrophobicContact CD1-CE2 4.21Å; L12-Y16 HydrophobicContact CD2-CE2 3.94Å; L12-Y16 HydrophobicContact CG-CD2 4.19Å; L12-Y16 HydrophobicContact CG-CE1 4.28Å; L12-Y16 HydrophobicContact CG-CE2 3.65Å; L12-Y16 WeakPolarHBondContact O-CD2 3.18Å; L12-Y16 PolarHBondContact O-N 3.32Å; L12-R272 VanDerWaalsContact CD2-NH1 3.3Å; L12-R272 VanDerWaalsContact CD2-NH2 3.25Å; L12-V273 HydrophobicContact CD1-CG2 3.97Å |
| 13 | S | 96.8 | Very high | 97.4 | Very high | 81 Ų | 81 | 52.1 Ų | 52.1 | 57% | 0.566 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -62.7 | -41.7 | 174.9 | 55.3 | 0 | 0 | 0 | 0 | 111.6 | C11 Y16 S17 | C11-S13 PolarHBondContact O-N 3.09Å; S13-Y16 PolarHBondContact O-N 3.18Å; S13-S17 PolarHBondContact O-N 2.86Å |
| 14 | T | 97.1 | Very high | 97.4 | Very high | 53 Ų | 53 | 52.1 Ų | 52.1 | 33% | 0.325 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 175 | -54.7 | 0 | 0 | 0 | 0 | 111.6 | C11 L12 A18 F366 | C11-T14 WeakPolarHBondContact O-CB 3.47Å; C11-T14 PolarHBondContact O-N 3.45Å; C11-T14 VanDerWaalsContact O-N 3.1Å; L12-T14 VanDerWaalsContact C-N 3.33Å; T14-A18 WeakPolarHBondContact O-CB 3.46Å; T14-A18 PolarHBondContact O-N 3.37Å; T14-F366 HydrophobicContact CG2-CE2 4.2Å; T14-F366 HydrophobicContact CG2-CZ 3.7Å |
| 15 | V | 98.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 175.7 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | C11 L12 A18 I19 F88 F90 V273 | C11-V15 WeakPolarHBondContact O-CG2 3.43Å; C11-V15 PolarHBondContact O-N 2.96Å; L12-V15 PolarHBondContact O-N 2.83Å; V15-A18 WeakPolarHBondContact O-CB 3.4Å; V15-A18 PolarHBondContact O-N 3.21Å; V15-I19 HydrophobicContact CG1-CD1 3.88Å; V15-I19 WeakPolarHBondContact O-CG1 3.46Å; V15-I19 PolarHBondContact O-N 2.7Å; V15-F88 HydrophobicContact CG2-CD1 3.94Å; V15-F88 HydrophobicContact CG2-CE1 3.65Å; V15-F88 HydrophobicContact CG2-CZ 4.13Å; V15-F90 HydrophobicContact CG1-CZ 3.93Å; V15-F90 HydrophobicContact CG2-CE1 3.98Å; V15-F90 HydrophobicContact CG2-CZ 3.71Å; V15-V273 HydrophobicContact CG1-CG1 4.02Å; V15-V273 HydrophobicContact CG1-CG2 4.21Å |
| 16 | Y | 98.6 | Very high | 97.6 | Very high | 74 Ų | 74 | 46.9 Ų | 46.9 | 29% | 0.29 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.1 | -45.2 | 177.9 | -68 | -27.3 | 0 | 0 | 0 | 112.8 | L12 S13 A18 I19 E20 R272 A276 | L12-Y16 HydrophobicContact CD1-CD1 4.49Å; L12-Y16 HydrophobicContact CD1-CE1 3.91Å; L12-Y16 HydrophobicContact CD1-CE2 4.21Å; L12-Y16 HydrophobicContact CD2-CE2 3.94Å; L12-Y16 HydrophobicContact CG-CD2 4.19Å; L12-Y16 HydrophobicContact CG-CE1 4.28Å; L12-Y16 HydrophobicContact CG-CE2 3.65Å; L12-Y16 WeakPolarHBondContact O-CD2 3.18Å; L12-Y16 PolarHBondContact O-N 3.32Å; S13-Y16 PolarHBondContact O-N 3.18Å; Y16-A18 VanDerWaalsContact C-N 3.32Å; Y16-A18 PolarHBondContact O-N 3.25Å; Y16-I19 PolarHBondContact O-N 2.72Å; Y16-E20 VanDerWaalsContact O-CB 3.31Å; Y16-E20 WeakPolarHBondContact O-CB 3.47Å; Y16-E20 PolarHBondContact O-N 2.7Å; Y16-R272 WeakPolarHBondContact OH-CB 3.46Å; Y16-R272 PolarHBondContact OH-NE 3.41Å; Y16-R272 PolarHBondContact OH-O 3.39Å; Y16-A276 HydrophobicContact CD1-CB 3.65Å; Y16-A276 HydrophobicContact CE1-CB 3.53Å |
| 17 | S | 98.1 | Very high | 97.7 | Very high | 38 Ų | 38 | 40.2 Ų | 40.2 | 27% | 0.266 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.7 | -40.8 | 174 | 148.2 | 0 | 0 | 0 | 0 | 111.6 | S13 E20 E21 | S13-S17 PolarHBondContact O-N 2.86Å; S17-E20 PolarHBondContact O-N 2.85Å; S17-E21 WeakPolarHBondContact O-CB 3.43Å; S17-E21 VanDerWaalsContact O-CG 3.24Å; S17-E21 WeakPolarHBondContact O-CG 3.41Å; S17-E21 PolarHBondContact O-N 3.05Å; S17-E21 PolarHBondContact OG-OE1 3.46Å |
| 18 | A | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.2 | -46 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | T14 V15 Y16 A22 T73 K86 F88 | T14-A18 WeakPolarHBondContact O-CB 3.46Å; T14-A18 PolarHBondContact O-N 3.37Å; V15-A18 WeakPolarHBondContact O-CB 3.4Å; V15-A18 PolarHBondContact O-N 3.21Å; Y16-A18 VanDerWaalsContact C-N 3.32Å; Y16-A18 PolarHBondContact O-N 3.25Å; A18-A22 WeakPolarHBondContact O-CB 3.37Å; A18-A22 PolarHBondContact O-N 3.17Å; A18-T73 HydrophobicContact CB-CG2 3.94Å; A18-K86 HydrophobicContact CB-CB 4.37Å; A18-K86 HydrophobicContact CB-CD 3.6Å; A18-F88 HydrophobicContact CB-CE2 3.87Å; A18-F88 HydrophobicContact CB-CZ 3.89Å |
| 19 | I | 98.6 | Very high | 97.8 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64 | -42.9 | 176.5 | -68.4 | 166.3 | 0 | 0 | 0 | 110.6 | V15 Y16 L25 L71 V273 A276 I277 K282 | V15-I19 HydrophobicContact CG1-CD1 3.88Å; V15-I19 WeakPolarHBondContact O-CG1 3.46Å; V15-I19 PolarHBondContact O-N 2.7Å; Y16-I19 PolarHBondContact O-N 2.72Å; I19-L25 HydrophobicContact CG1-CD2 4.49Å; I19-L25 HydrophobicContact CG2-CD1 4.41Å; I19-L71 HydrophobicContact CD1-CD2 4.27Å; I19-L71 HydrophobicContact CG1-CD2 4.22Å; I19-V273 HydrophobicContact CD1-CG1 4.24Å; I19-A276 HydrophobicContact CD1-CB 4.04Å; I19-I277 HydrophobicContact CD1-CG1 3.85Å; I19-I277 HydrophobicContact CG1-CG1 4.46Å; I19-K282 WeakPolarHBondContact O-CE 3.41Å; I19-K282 PolarHBondContact O-NZ 2.9Å |
| 20 | E | 98.4 | Very high | 97.9 | Very high | 156 Ų | 156 | 34.2 Ų | 34.2 | 73% | 0.729 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -68.7 | -35.3 | -177.7 | -176.3 | 176.5 | -163.6 | 0 | 0 | 113.2 | Y16 S17 K282 | Y16-E20 VanDerWaalsContact O-CB 3.31Å; Y16-E20 WeakPolarHBondContact O-CB 3.47Å; Y16-E20 PolarHBondContact O-N 2.7Å; S17-E20 PolarHBondContact O-N 2.85Å; E20-K282 PolarHBondContact O-NZ 3.31Å |
| 21 | E | 97.6 | Very high | 98.1 | Very high | 79 Ų | 79 | 29.8 Ų | 29.8 | 37% | 0.369 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -84.9 | -17 | -178.7 | -69.1 | 167.1 | -156.7 | 0 | 0 | 114 | S17 R75 K86 | S17-E21 WeakPolarHBondContact O-CB 3.43Å; S17-E21 VanDerWaalsContact O-CG 3.24Å; S17-E21 WeakPolarHBondContact O-CG 3.41Å; S17-E21 PolarHBondContact O-N 3.05Å; S17-E21 PolarHBondContact OG-OE1 3.46Å; E21-R75 WeakPolarHBondContact O-CD 3.46Å; E21-R75 WeakPolarHBondContact O-CG 3.29Å; E21-R75 IonicContact OE2-NH1 2.63Å; E21-R75 PolarHBondContact OE2-NH1 3.16Å; E21-R75 VanDerWaalsContact OE2-NH1 3.1Å; E21-K86 IonicContact OE2-NZ 3.09Å; E21-K86 PolarHBondContact OE2-NZ 2.96Å |
| 22 | A | 98.5 | Very high | 98.2 | Very high | 6 Ų | 6 | 28.6 Ų | 28.6 | 5% | 0.05 | 15% | 0.152 | C | C | . | . | trans | -67.3 | 152.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | A18 L25 K282 | A18-A22 WeakPolarHBondContact O-CB 3.37Å; A18-A22 PolarHBondContact O-N 3.17Å; A22-L25 HydrophobicContact CB-CD2 3.8Å; A22-K282 HydrophobicContact CB-CD 4.45Å; A22-K282 WeakPolarHBondContact O-CD 3.36Å; A22-K282 VanDerWaalsContact O-CE 3.25Å; A22-K282 WeakPolarHBondContact O-CE 3.5Å; A22-K282 PolarHBondContact O-NZ 2.79Å | ||
| 23 | D | 98.4 | Very high | 98.2 | Very high | 27 Ų | 27 | 28.3 Ų | 28.3 | 14% | 0.144 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -83.1 | -37.4 | 165 | -77.4 | -58.5 | 0 | 0 | 0 | 111.9 | F74 Y76 P410 R411 | D23-F74 PolarHBondContact N-O 3.22Å; D23-Y76 PolarHBondContact OD2-N 2.65Å; D23-P410 HydrophobicContact CB-CG 4.19Å; D23-R411 IonicContact OD1-CZ 2.76Å; D23-R411 IonicContact OD1-NH1 2.7Å; D23-R411 PolarHBondContact OD1-NH1 3.09Å; D23-R411 VanDerWaalsContact OD1-NH1 3.1Å; D23-R411 IonicContact OD1-NH2 3.24Å |
| 24 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 167.1 | 175 | 75.4 | -82 | 0 | 0 | 0 | 110.4 | F74 Y83 L283 V285 F390 I391 P410 | F24-F74 HydrophobicContact CD1-CB 3.74Å; F24-F74 HydrophobicContact CD2-CB 4.48Å; F24-F74 HydrophobicContact CD2-CD2 4.27Å; F24-F74 HydrophobicContact CE1-CB 3.27Å; F24-F74 HydrophobicContact CE1-CD1 4.32Å; F24-F74 HydrophobicContact CE1-CD2 4.33Å; F24-F74 AromaticContact CE1-CG 3.75Å; F24-F74 HydrophobicContact CE1-CG 3.75Å; F24-F74 HydrophobicContact CE2-CB 4.06Å; F24-F74 AromaticContact CE2-CD2 3.56Å; F24-F74 HydrophobicContact CE2-CD2 3.56Å; F24-F74 HydrophobicContact CE2-CE2 4.16Å; F24-F74 AromaticContact CE2-CG 3.82Å; F24-F74 HydrophobicContact CE2-CG 3.82Å; F24-F74 HydrophobicContact CG-CB 4.34Å; F24-F74 HydrophobicContact CZ-CB 3.44Å; F24-F74 VanDerWaalsContact CZ-CB 3.44Å; F24-F74 AromaticContact CZ-CD1 3.82Å; F24-F74 HydrophobicContact CZ-CD1 3.82Å; F24-F74 AromaticContact CZ-CD2 3.6Å; F24-F74 HydrophobicContact CZ-CD2 3.6Å; F24-F74 HydrophobicContact CZ-CE1 4.49Å; F24-F74 HydrophobicContact CZ-CE2 4.32Å; F24-F74 AromaticContact CZ-CG 3.34Å; F24-F74 HydrophobicContact CZ-CG 3.34Å; F24-F74 PolarHBondContact N-O 2.91Å; F24-F74 PolarHBondContact O-N 3.18Å; F24-F74 VanDerWaalsContact O-N 3.1Å; F24-Y83 HydrophobicContact CE1-CD1 4.5Å; F24-Y83 AromaticContact CE1-CE1 3.98Å; F24-Y83 HydrophobicContact CE1-CE1 3.98Å; F24-L283 WeakPolarHBondContact CA-O 3.5Å; F24-L283 HydrophobicContact CB-CB 3.96Å; F24-L283 HydrophobicContact CB-CD2 4.41Å; F24-L283 HydrophobicContact CB-CG 4.44Å; F24-L283 WeakPolarHBondContact CB-O 3.36Å; F24-V285 HydrophobicContact CD2-CB 4.49Å; F24-V285 HydrophobicContact CD2-CG2 3.68Å; F24-V285 HydrophobicContact CE2-CG2 4.1Å; F24-F390 HydrophobicContact CD1-CE1 4.17Å; F24-F390 HydrophobicContact CD2-CD1 4.06Å; F24-F390 HydrophobicContact CD2-CE1 4.11Å; F24-F390 HydrophobicContact CE1-CD1 4.16Å; F24-F390 HydrophobicContact CE1-CE1 4.06Å; F24-F390 AromaticContact CE2-CD1 3.6Å; F24-F390 HydrophobicContact CE2-CD1 3.6Å; F24-F390 HydrophobicContact CE2-CE1 4.05Å; F24-F390 HydrophobicContact CG-CE1 4.17Å; F24-F390 AromaticContact CZ-CD1 3.65Å; F24-F390 HydrophobicContact CZ-CD1 3.65Å; F24-F390 HydrophobicContact CZ-CE1 4.01Å; F24-I391 HydrophobicContact CE1-CD1 4.07Å; F24-I391 HydrophobicContact CE1-CG1 3.96Å; F24-I391 HydrophobicContact CZ-CD1 3.75Å; F24-I391 HydrophobicContact CZ-CG1 3.68Å; F24-P410 HydrophobicContact CB-CB 4.07Å; F24-P410 HydrophobicContact CB-CG 4.19Å; F24-P410 HydrophobicContact CD1-CB 4.19Å; F24-P410 HydrophobicContact CD1-CG 3.46Å; F24-P410 VanDerWaalsContact CD1-CG 3.46Å; F24-P410 HydrophobicContact CE1-CG 4.17Å; F24-P410 HydrophobicContact CG-CB 4.37Å; F24-P410 HydrophobicContact CG-CG 4.12Å |
| 25 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 145.6 | -179.1 | -50.7 | 171.8 | 0 | 0 | 0 | 108.2 | I19 A22 L71 T73 I277 L283 V284 V285 | I19-L25 HydrophobicContact CG1-CD2 4.49Å; I19-L25 HydrophobicContact CG2-CD1 4.41Å; A22-L25 HydrophobicContact CB-CD2 3.8Å; L25-L71 HydrophobicContact CB-CD1 4.13Å; L25-L71 HydrophobicContact CD2-CD1 4.41Å; L25-T73 HydrophobicContact CD2-CG2 3.68Å; L25-I277 HydrophobicContact CD1-CB 4.32Å; L25-I277 HydrophobicContact CD1-CG1 4.06Å; L25-I277 HydrophobicContact CD1-CG2 3.8Å; L25-L283 PolarHBondContact N-O 3.17Å; L25-V284 HydrophobicContact CB-CG2 4.49Å; L25-V284 HydrophobicContact CD1-CG2 4.34Å; L25-V284 CarbonylContact O-C 3.55Å; L25-V284 WeakPolarHBondContact O-CA 3.28Å; L25-V285 PolarHBondContact O-N 3.25Å |
| 26 | A | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 141.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | C72 F74 V285 A383 | A26-C72 PolarHBondContact N-O 3.44Å; A26-C72 PolarHBondContact O-N 3.19Å; A26-F74 HydrophobicContact CB-CE2 3.89Å; A26-V285 CarbonylContact C-O 3.15Å; A26-V285 WeakPolarHBondContact CA-O 3.25Å; A26-V285 HydrophobicContact CB-CB 4.35Å; A26-A383 HydrophobicContact CB-CB 4.48Å; A26-A383 WeakPolarHBondContact CB-O 3.3Å |
| 27 | I | 98.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 155.9 | -177.8 | 64.9 | 169.2 | 0 | 0 | 0 | 110.9 | F69 G70 L71 V284 V285 M289 F319 | I27-F69 HydrophobicContact CB-CE1 4.29Å; I27-F69 HydrophobicContact CB-CE2 4.46Å; I27-F69 HydrophobicContact CB-CZ 3.88Å; I27-F69 HydrophobicContact CD1-CE2 4.35Å; I27-F69 HydrophobicContact CD1-CZ 4.14Å; I27-F69 HydrophobicContact CG2-CE1 3.85Å; I27-F69 HydrophobicContact CG2-CZ 3.65Å; I27-G70 VanDerWaalsContact CA-O 3.28Å; I27-G70 WeakPolarHBondContact CA-O 3.29Å; I27-L71 HydrophobicContact CG2-CD1 3.88Å; I27-V284 HydrophobicContact CB-CG1 4.49Å; I27-V284 HydrophobicContact CD1-CG1 3.57Å; I27-V284 HydrophobicContact CG1-CG1 3.67Å; I27-V284 HydrophobicContact CG2-CG1 4.06Å; I27-V285 PolarHBondContact N-O 3.11Å; I27-M289 HydrophobicContact CD1-CE 3.86Å; I27-M289 HydrophobicContact CG1-CE 3.95Å; I27-F319 HydrophobicContact CD1-CE1 4.47Å; I27-F319 HydrophobicContact CD1-CZ 4.18Å |
| 28 | D | 98.8 | Very high | 93.6 | Very high | 20 Ų | 20 | 30.1 Ų | 30.1 | 11% | 0.107 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 157.1 | 173.4 | -170.6 | 70.7 | 0 | 0 | 0 | 108.6 | G70 A379 D382 A383 | D28-G70 PolarHBondContact N-O 3.23Å; D28-G70 WeakPolarHBondContact O-CA 3.4Å; D28-G70 PolarHBondContact O-N 3.26Å; D28-A379 WeakPolarHBondContact CB-O 3.32Å; D28-D382 HydrophobicContact CB-CB 4.23Å; D28-A383 HydrophobicContact CB-CB 4.15Å |
| 29 | G | 98.4 | Very high | 92.2 | Very high | 4 Ų | 4 | 35.3 Ų | 35.3 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 137.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F31 Q68 D292 | G29-F31 WeakPolarHBondContact O-CZ 3.39Å; G29-Q68 WeakPolarHBondContact CA-O 3.39Å; G29-D292 WeakPolarHBondContact CA-OD1 3.47Å; G29-D292 PolarHBondContact N-OD1 2.99Å |
| 30 | E | 98.4 | Very high | 90.9 | Very high | 21 Ų | 21 | 38.8 Ų | 38.8 | 10% | 0.098 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 134.9 | 170.1 | -60.1 | -66.5 | 179 | 0 | 0 | 111 | M66 F67 Q68 L116 F121 H377 A379 | E30-M66 WeakPolarHBondContact O-CA 3.47Å; E30-F67 HydrophobicContact CB-CD1 4.22Å; E30-F67 HydrophobicContact CB-CE1 3.84Å; E30-F67 WeakPolarHBondContact O-CD1 3.32Å; E30-F67 PolarHBondContact O-N 3Å; E30-Q68 HydrophobicContact CB-CB 3.99Å; E30-Q68 HydrophobicContact CG-CB 4.29Å; E30-Q68 VanDerWaalsContact CG-OE1 3.3Å; E30-Q68 PolarHBondContact N-O 2.84Å; E30-L116 HydrophobicContact CB-CD2 4.39Å; E30-L116 HydrophobicContact CG-CD2 4.2Å; E30-L116 WeakPolarHBondContact OE2-CD2 3.43Å; E30-F121 HydrophobicContact CB-CE2 4.47Å; E30-H377 WeakPolarHBondContact OE1-CA 3.49Å; E30-A379 HydrophobicContact CG-CB 4.18Å |
| 31 | F | 98.2 | Very high | 89.5 | Confident | 28 Ų | 28 | 34.7 Ų | 34.7 | 12% | 0.123 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 149.7 | -172.9 | -44.8 | -60.6 | 0 | 0 | 0 | 112.3 | G29 G33 L65 M66 L291 D292 H295 | G29-F31 WeakPolarHBondContact O-CZ 3.39Å; F31-G33 VanDerWaalsContact CB-O 3.25Å; F31-G33 WeakPolarHBondContact CB-O 3.45Å; F31-G33 PolarHBondContact O-N 3.43Å; F31-G33 VanDerWaalsContact O-N 3.16Å; F31-L65 CarbonylContact C-O 3.5Å; F31-L65 VanDerWaalsContact CA-O 3.29Å; F31-L65 WeakPolarHBondContact CA-O 3.42Å; F31-M66 HydrophobicContact CD1-CB 3.69Å; F31-M66 HydrophobicContact CD1-CG 3.76Å; F31-M66 HydrophobicContact CE1-CB 3.88Å; F31-M66 HydrophobicContact CE1-CG 3.62Å; F31-M66 HydrophobicContact CE1-SD 4.15Å; F31-L291 HydrophobicContact CE2-CB 4.16Å; F31-L291 HydrophobicContact CZ-CB 4.15Å; F31-D292 WeakPolarHBondContact CZ-OD1 3.46Å; F31-H295 AromaticContact CD1-CD2 3.56Å; F31-H295 AromaticContact CD1-NE2 3.92Å; F31-H295 HydrophobicContact CE1-CB 4.13Å; F31-H295 AromaticContact CE1-CD2 3.38Å; F31-H295 WeakPolarHBondContact CE1-CD2 3.32Å; F31-H295 AromaticContact CE1-CG 3.93Å; F31-H295 AromaticContact CZ-CD2 3.97Å |
| 32 | S | 98.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -67 | -10.5 | 171.3 | 66.2 | 0 | 0 | 0 | 0 | 113.3 | L65 I107 C108 Q109 | S32-L65 PolarHBondContact N-O 2.9Å; S32-L65 PolarHBondContact OG-N 3.09Å; S32-I107 WeakPolarHBondContact CB-O 3.32Å; S32-I107 PolarHBondContact OG-O 3.17Å; S32-C108 WeakPolarHBondContact O-CA 3.49Å; S32-Q109 PolarHBondContact O-N 2.86Å |
| 33 | G | 95.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | 173.8 | 177.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F31 F64 | F31-G33 VanDerWaalsContact CB-O 3.25Å; F31-G33 WeakPolarHBondContact CB-O 3.45Å; F31-G33 PolarHBondContact O-N 3.43Å; F31-G33 VanDerWaalsContact O-N 3.16Å; G33-F64 WeakPolarHBondContact O-CB 3.41Å; G33-F64 WeakPolarHBondContact O-CG 3.32Å | ||
| 34 | I | 90.4 | Very high | 86.3 | Confident | 90 Ų | 90 | 31.8 Ų | 31.8 | 46% | 0.462 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -115.6 | -41 | -173.7 | -58 | 176 | 0 | 0 | 0 | 111.4 | S61 L291 | I34-S61 WeakPolarHBondContact O-CB 3.26Å; I34-S61 PolarHBondContact O-OG 3.41Å; I34-L291 HydrophobicContact CG2-CD1 4.26Å |
| 35 | S | 88.2 | Confident | 85.5 | Confident | 22 Ų | 22 | 32.4 Ų | 32.4 | 15% | 0.154 | 20% | 0.196 | C | C | . | . | trans | -153.4 | 138.9 | -179.3 | -168.7 | 0 | 0 | 0 | 0 | 113.1 | G37 L43 H60 F64 | S35-G37 PolarHBondContact OG-N 2.88Å; S35-L43 WeakPolarHBondContact OG-CD2 3.2Å; S35-H60 VanDerWaalsContact CA-O 3.31Å; S35-H60 WeakPolarHBondContact CA-O 3.35Å; S35-F64 VanDerWaalsContact C-CZ 3.44Å; S35-F64 VanDerWaalsContact CA-CE2 3.48Å | ||
| 36 | D | 82.9 | Confident | 84.7 | Confident | 71 Ų | 71 | 33.2 Ų | 33.2 | 38% | 0.38 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -99.5 | -4.2 | 169.8 | 79.3 | -14.9 | 0 | 0 | 0 | 112.6 | H60 F64 I107 | D36-H60 PolarHBondContact N-O 3.06Å; D36-H60 WeakPolarHBondContact OD1-CA 3.5Å; D36-H60 WeakPolarHBondContact OD1-CB 3.41Å; D36-H60 IonicContact OD1-CG 3.66Å; D36-H60 IonicContact OD1-ND1 3.55Å; D36-H60 PolarHBondContact OD1-ND1 3.4Å; D36-F64 HydrophobicContact CB-CE2 4.13Å; D36-F64 HydrophobicContact CB-CZ 4.06Å; D36-I107 HydrophobicContact CB-CD1 4.41Å |
| 37 | G | 68.1 | Low | 84.1 | Confident | 25 Ų | 25 | 33.5 Ų | 33.5 | 26% | 0.258 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -83.6 | -171.8 | -172 | 0 | 0 | 0 | 0 | 0 | 113.3 | S35 H60 | S35-G37 PolarHBondContact OG-N 2.88Å; G37-H60 WeakPolarHBondContact CA-ND1 3.33Å |
| 38 | P | 63.5 | Low | 83.5 | Confident | 77 Ų | 77 | 33.8 Ų | 33.8 | 50% | 0.5 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -56.4 | 168.3 | 170.4 | 26.3 | -33.7 | 0 | 0 | 0 | 110.8 | A42 | P38-A42 HydrophobicContact CB-CB 3.81Å; P38-A42 HydrophobicContact CG-CB 3.64Å |
| 39 | N | 69.4 | Low | 83.1 | Confident | 110 Ų | 110 | 34.2 Ų | 34.2 | 59% | 0.588 | 21% | 0.211 | S | C | * | . | trans | -40.8 | 152.5 | -177.1 | 64.5 | 19.2 | 0 | 0 | 0 | 114 | S41 A42 L43 | N39-S41 PolarHBondContact ND2-OG 2.99Å; N39-S41 PolarHBondContact O-N 2.93Å; N39-S41 PolarHBondContact OD1-OG 2.88Å; N39-A42 PolarHBondContact O-N 3.36Å; N39-A42 WeakPolarHBondContact OD1-CB 3.34Å; N39-A42 PolarHBondContact OD1-N 3.13Å; N39-A42 VanDerWaalsContact OD1-N 3.11Å; N39-L43 PolarHBondContact O-N 3.47Å | ||
| 40 | V | 71.4 | Confident | 82.8 | Confident | 77 Ų | 77 | 34.5 Ų | 34.5 | 47% | 0.467 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -50 | -33.7 | -174.7 | -171.8 | 0 | 0 | 0 | 0 | 112.5 | A42 L43 T44 R426 | V40-A42 PolarHBondContact O-N 2.86Å; V40-L43 PolarHBondContact O-N 3.19Å; V40-T44 HydrophobicContact CG1-CG2 4.45Å; V40-T44 PolarHBondContact O-N 2.86Å; V40-T44 PolarHBondContact O-OG1 3.04Å; V40-R426 VanDerWaalsContact CG1-NH1 3.28Å |
| 41 | S | 67.9 | Low | 82.5 | Confident | 70 Ų | 70 | 36.4 Ų | 36.4 | 49% | 0.49 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.9 | -37.1 | 175.5 | 39.8 | 0 | 0 | 0 | 0 | 114.8 | N39 T44 N45 | N39-S41 PolarHBondContact ND2-OG 2.99Å; N39-S41 PolarHBondContact O-N 2.93Å; N39-S41 PolarHBondContact OD1-OG 2.88Å; S41-T44 CarbonylContact O-C 3.51Å; S41-N45 PolarHBondContact O-N 2.83Å |
| 42 | A | 71.5 | Confident | 82.2 | Confident | 34 Ų | 34 | 36.7 Ų | 36.7 | 28% | 0.281 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -74.4 | -37.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | P38 N39 V40 T44 K56 | P38-A42 HydrophobicContact CB-CB 3.81Å; P38-A42 HydrophobicContact CG-CB 3.64Å; N39-A42 PolarHBondContact O-N 3.36Å; N39-A42 WeakPolarHBondContact OD1-CB 3.34Å; N39-A42 PolarHBondContact OD1-N 3.13Å; N39-A42 VanDerWaalsContact OD1-N 3.11Å; V40-A42 PolarHBondContact O-N 2.86Å; A42-T44 VanDerWaalsContact C-N 3.34Å; A42-K56 PolarHBondContact O-NZ 3.08Å; A42-K56 VanDerWaalsContact O-NZ 3.09Å |
| 43 | L | 76.6 | Confident | 81.9 | Confident | 7 Ų | 7 | 36.9 Ų | 36.9 | 4% | 0.037 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.2 | -38 | 175.2 | -170.5 | 74.4 | 0 | 0 | 0 | 111.8 | S35 N39 V40 R53 K56 L57 H60 | S35-L43 WeakPolarHBondContact OG-CD2 3.2Å; N39-L43 PolarHBondContact O-N 3.47Å; V40-L43 PolarHBondContact O-N 3.19Å; L43-R53 PolarHBondContact O-NE 3.39Å; L43-K56 HydrophobicContact CD1-CB 4.06Å; L43-L57 HydrophobicContact CD1-CD2 4.43Å; L43-L57 HydrophobicContact CD2-CD2 3.94Å; L43-L57 HydrophobicContact CG-CD2 4.12Å; L43-H60 HydrophobicContact CD1-CB 3.66Å |
| 44 | T | 78.8 | Confident | 81.9 | Confident | 10 Ų | 10 | 37.1 Ų | 37.1 | 6% | 0.061 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | 52.3 | -179 | 69.1 | 0 | 0 | 0 | 0 | 111.6 | V40 S41 A42 G46 R53 M425 R426 | V40-T44 HydrophobicContact CG1-CG2 4.45Å; V40-T44 PolarHBondContact O-N 2.86Å; V40-T44 PolarHBondContact O-OG1 3.04Å; S41-T44 CarbonylContact O-C 3.51Å; A42-T44 VanDerWaalsContact C-N 3.34Å; T44-G46 PolarHBondContact O-N 3.3Å; T44-R53 VanDerWaalsContact C-NH2 3.3Å; T44-M425 HydrophobicContact CG2-CE 3.73Å; T44-R426 WeakPolarHBondContact OG1-CD 3.27Å; T44-R426 PolarHBondContact OG1-NH1 3.49Å |
| 45 | N | 82.2 | Confident | 82.1 | Confident | 14 Ų | 14 | 36.2 Ų | 36.2 | 8% | 0.075 | 22% | 0.223 | C | C | . | . | trans | -63.1 | 132.6 | -179.4 | -177.6 | -31.4 | 0 | 0 | 0 | 109.1 | S41 L47 D48 R53 S474 W475 | S41-N45 PolarHBondContact O-N 2.83Å; N45-L47 PolarHBondContact O-N 3.28Å; N45-L47 PolarHBondContact OD1-N 2.98Å; N45-D48 WeakPolarHBondContact CB-OD1 3.43Å; N45-D48 PolarHBondContact N-OD2 3.28Å; N45-D48 WeakPolarHBondContact O-CB 3.48Å; N45-D48 PolarHBondContact O-N 3.35Å; N45-D48 VanDerWaalsContact O-N 3.13Å; N45-R53 PolarHBondContact O-NH2 3.39Å; N45-S474 PolarHBondContact ND2-OG 3.29Å; N45-S474 PolarHBondContact OD1-OG 3.03Å; N45-W475 PolarHBondContact ND2-O 3.33Å | ||
| 46 | G | 83.3 | Confident | 82.3 | Confident | 16 Ų | 16 | 37.8 Ų | 37.8 | 17% | 0.165 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -14.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115 | T44 R426 I428 | T44-G46 PolarHBondContact O-N 3.3Å; G46-R426 WeakPolarHBondContact CA-O 3.2Å; G46-I428 PolarHBondContact O-N 3.16Å; G46-I428 VanDerWaalsContact O-N 3.12Å |
| 47 | L | 85.5 | Confident | 82.8 | Confident | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 13.1 | 176.4 | -64 | 175.6 | 0 | 0 | 0 | 112.9 | N45 T49 I428 R444 V447 F482 | N45-L47 PolarHBondContact O-N 3.28Å; N45-L47 PolarHBondContact OD1-N 2.98Å; L47-T49 PolarHBondContact O-N 3.05Å; L47-I428 HydrophobicContact CD2-CD1 4.34Å; L47-R444 PolarHBondContact O-NH1 3.42Å; L47-V447 HydrophobicContact CD1-CG1 3.95Å; L47-V447 HydrophobicContact CD2-CG2 4.39Å; L47-F482 HydrophobicContact CB-CD2 4.2Å; L47-F482 HydrophobicContact CD1-CB 3.48Å; L47-F482 VanDerWaalsContact CD1-CB 3.48Å; L47-F482 HydrophobicContact CD1-CD2 4.06Å; L47-F482 HydrophobicContact CD1-CG 3.97Å |
| 48 | D | 87.2 | Confident | 84.1 | Confident | 7 Ų | 7 | 36 Ų | 36 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | trans | -59.2 | 139.9 | 170.8 | -72.2 | -27.9 | 0 | 0 | 0 | 110.1 | N45 E52 R53 K56 R444 | N45-D48 WeakPolarHBondContact CB-OD1 3.43Å; N45-D48 PolarHBondContact N-OD2 3.28Å; N45-D48 WeakPolarHBondContact O-CB 3.48Å; N45-D48 PolarHBondContact O-N 3.35Å; N45-D48 VanDerWaalsContact O-N 3.13Å; D48-E52 HydrophobicContact CB-CB 4.34Å; D48-R53 HydrophobicContact CB-CB 4.26Å; D48-R53 IonicContact OD2-CZ 2.67Å; D48-R53 IonicContact OD2-NE 2.54Å; D48-R53 PolarHBondContact OD2-NE 2.84Å; D48-R53 IonicContact OD2-NH2 3.1Å; D48-R53 PolarHBondContact OD2-NH2 2.91Å; D48-K56 VanDerWaalsContact CG-NZ 3.34Å; D48-K56 WeakPolarHBondContact OD1-CE 3.44Å; D48-K56 IonicContact OD1-NZ 2.75Å; D48-K56 PolarHBondContact OD1-NZ 3.31Å; D48-K56 IonicContact OD2-NZ 2.72Å; D48-K56 PolarHBondContact OD2-NZ 3.47Å; D48-R444 PolarHBondContact O-NH2 3.37Å | ||
| 49 | T | 89.1 | Confident | 85.6 | Confident | 30 Ų | 30 | 39 Ų | 39 | 18% | 0.184 | 22% | 0.215 | C | C | . | . | trans | -70.7 | 158.4 | 156.2 | 60.1 | 0 | 0 | 0 | 0 | 109.5 | L47 E51 E52 R53 | L47-T49 PolarHBondContact O-N 3.05Å; T49-E51 PolarHBondContact O-N 2.93Å; T49-E52 WeakPolarHBondContact CB-OE2 3.47Å; T49-E52 WeakPolarHBondContact CG2-OE2 3.28Å; T49-E52 PolarHBondContact N-OE2 3.28Å; T49-E52 PolarHBondContact O-N 3.07Å; T49-E52 VanDerWaalsContact O-N 3.16Å; T49-E52 WeakPolarHBondContact OG1-CB 3.45Å; T49-E52 WeakPolarHBondContact OG1-CG 3.26Å; T49-E52 PolarHBondContact OG1-N 3.18Å; T49-E52 PolarHBondContact OG1-OE2 2.92Å; T49-R53 PolarHBondContact O-N 3.48Å | ||
| 50 | P | 92.4 | Very high | 86.7 | Confident | 10 Ų | 10 | 35.5 Ų | 35.5 | 7% | 0.065 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55.5 | -38.5 | 175.3 | -27.8 | 37.7 | 0 | 0 | 0 | 112.8 | R53 Y54 L308 I430 L433 D439 | P50-R53 PolarHBondContact O-N 3.38Å; P50-Y54 WeakPolarHBondContact O-CB 3.45Å; P50-Y54 PolarHBondContact O-N 3.1Å; P50-L308 HydrophobicContact CB-CD2 3.73Å; P50-I430 HydrophobicContact CG-CD1 3.95Å; P50-I430 HydrophobicContact CG-CG2 4.36Å; P50-L433 HydrophobicContact CB-CD1 3.92Å; P50-D439 HydrophobicContact CB-CB 4.39Å; P50-D439 HydrophobicContact CG-CB 3.71Å |
| 51 | E | 92.6 | Very high | 87.8 | Confident | 61 Ų | 61 | 31.9 Ų | 31.9 | 29% | 0.285 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.1 | -47.7 | 175.6 | -172.5 | 69.8 | -141.8 | 0 | 0 | 112.2 | T49 R53 Y54 T55 L308 | T49-E51 PolarHBondContact O-N 2.93Å; E51-R53 VanDerWaalsContact C-N 3.34Å; E51-R53 PolarHBondContact O-N 3.41Å; E51-Y54 PolarHBondContact O-N 3.48Å; E51-T55 WeakPolarHBondContact O-CB 3.4Å; E51-T55 PolarHBondContact O-N 3.32Å; E51-T55 PolarHBondContact O-OG1 3.47Å; E51-L308 PolarHBondContact OE1-N 2.9Å; E51-L308 WeakPolarHBondContact OE2-CB 3.3Å |
| 52 | E | 91.1 | Very high | 89.2 | Confident | 33 Ų | 33 | 29 Ų | 29 | 15% | 0.154 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.8 | -40.9 | 178 | -73.4 | 161 | 157.6 | 0 | 0 | 111.2 | D48 T49 T55 K56 K516 | D48-E52 HydrophobicContact CB-CB 4.34Å; T49-E52 WeakPolarHBondContact CB-OE2 3.47Å; T49-E52 WeakPolarHBondContact CG2-OE2 3.28Å; T49-E52 PolarHBondContact N-OE2 3.28Å; T49-E52 PolarHBondContact O-N 3.07Å; T49-E52 VanDerWaalsContact O-N 3.16Å; T49-E52 WeakPolarHBondContact OG1-CB 3.45Å; T49-E52 WeakPolarHBondContact OG1-CG 3.26Å; T49-E52 PolarHBondContact OG1-N 3.18Å; T49-E52 PolarHBondContact OG1-OE2 2.92Å; E52-T55 PolarHBondContact O-N 3.15Å; E52-K56 WeakPolarHBondContact O-CB 3.31Å; E52-K56 VanDerWaalsContact O-CG 3.27Å; E52-K56 WeakPolarHBondContact O-CG 3.21Å; E52-K56 PolarHBondContact O-N 2.9Å; E52-K516 IonicContact OE1-NZ 2.63Å; E52-K516 PolarHBondContact OE1-NZ 3.48Å |
| 53 | R | 92.1 | Very high | 90.4 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.015 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.8 | -48.9 | 175.4 | 179 | 56.7 | 59.5 | 78.4 | 2.7 | 110.9 | L43 T44 N45 D48 T49 P50 E51 K56 L57 L424 M425 | L43-R53 PolarHBondContact O-NE 3.39Å; T44-R53 VanDerWaalsContact C-NH2 3.3Å; N45-R53 PolarHBondContact O-NH2 3.39Å; D48-R53 HydrophobicContact CB-CB 4.26Å; D48-R53 IonicContact OD2-CZ 2.67Å; D48-R53 IonicContact OD2-NE 2.54Å; D48-R53 PolarHBondContact OD2-NE 2.84Å; D48-R53 IonicContact OD2-NH2 3.1Å; D48-R53 PolarHBondContact OD2-NH2 2.91Å; T49-R53 PolarHBondContact O-N 3.48Å; P50-R53 PolarHBondContact O-N 3.38Å; E51-R53 VanDerWaalsContact C-N 3.34Å; E51-R53 PolarHBondContact O-N 3.41Å; R53-K56 PolarHBondContact O-N 3.2Å; R53-L57 HydrophobicContact CG-CD1 4.07Å; R53-L57 HydrophobicContact CG-CG 4.46Å; R53-L57 WeakPolarHBondContact O-CG 3.42Å; R53-L57 PolarHBondContact O-N 2.89Å; R53-L424 HydrophobicContact CG-CD2 4.2Å; R53-M425 PolarHBondContact NH1-O 3.26Å; R53-M425 PolarHBondContact NH2-O 3.38Å |
| 54 | Y | 95.7 | Very high | 91.4 | Very high | 6 Ų | 6 | 31.3 Ų | 31.3 | 2% | 0.024 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.6 | -48.9 | 177.7 | 171.1 | -105.5 | 0 | 0 | 0 | 111.7 | P50 E51 K56 L57 K58 M294 L304 P305 L308 F311 | P50-Y54 WeakPolarHBondContact O-CB 3.45Å; P50-Y54 PolarHBondContact O-N 3.1Å; E51-Y54 PolarHBondContact O-N 3.48Å; Y54-K56 VanDerWaalsContact C-N 3.32Å; Y54-K56 PolarHBondContact O-N 3.35Å; Y54-L57 PolarHBondContact O-N 3.4Å; Y54-K58 HydrophobicContact CE1-CD 4.2Å; Y54-K58 WeakPolarHBondContact O-CB 3.43Å; Y54-K58 PolarHBondContact O-N 3.33Å; Y54-M294 HydrophobicContact CD2-CE 4Å; Y54-M294 HydrophobicContact CE2-CE 3.99Å; Y54-L304 HydrophobicContact CE2-CD1 4.31Å; Y54-P305 PolarHBondContact OH-O 3.22Å; Y54-L308 HydrophobicContact CD1-CB 4.02Å; Y54-L308 HydrophobicContact CD1-CD1 4.37Å; Y54-L308 HydrophobicContact CD2-CD1 4.02Å; Y54-L308 HydrophobicContact CG-CB 4.26Å; Y54-L308 HydrophobicContact CG-CD1 3.8Å; Y54-F311 HydrophobicContact CD2-CB 4.47Å; Y54-F311 HydrophobicContact CD2-CD1 4.17Å; Y54-F311 HydrophobicContact CD2-CG 4.15Å; Y54-F311 HydrophobicContact CE1-CB 4.44Å; Y54-F311 HydrophobicContact CE2-CB 3.69Å; Y54-F311 AromaticContact CE2-CD1 3.97Å; Y54-F311 HydrophobicContact CE2-CD1 3.97Å; Y54-F311 AromaticContact CE2-CD2 3.71Å; Y54-F311 HydrophobicContact CE2-CD2 3.71Å; Y54-F311 HydrophobicContact CE2-CE2 4.33Å; Y54-F311 AromaticContact CE2-CG 3.49Å; Y54-F311 HydrophobicContact CE2-CG 3.49Å; Y54-F311 VanDerWaalsContact CE2-CG 3.49Å |
| 55 | T | 94.4 | Very high | 92.3 | Very high | 70 Ų | 70 | 31 Ų | 31 | 43% | 0.429 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -58.3 | -44.2 | 178.6 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | E51 E52 K59 | E51-T55 WeakPolarHBondContact O-CB 3.4Å; E51-T55 PolarHBondContact O-N 3.32Å; E51-T55 PolarHBondContact O-OG1 3.47Å; E52-T55 PolarHBondContact O-N 3.15Å; T55-K59 WeakPolarHBondContact O-CB 3.21Å; T55-K59 PolarHBondContact O-N 3.01Å |
| 56 | K | 92.6 | Very high | 93.1 | Very high | 55 Ų | 55 | 30.4 Ų | 30.4 | 24% | 0.239 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.3 | -48.1 | 177 | -76.8 | 176.2 | 179.5 | -175.9 | 0 | 111.8 | A42 L43 D48 E52 R53 Y54 K59 H60 | A42-K56 PolarHBondContact O-NZ 3.08Å; A42-K56 VanDerWaalsContact O-NZ 3.09Å; L43-K56 HydrophobicContact CD1-CB 4.06Å; D48-K56 VanDerWaalsContact CG-NZ 3.34Å; D48-K56 WeakPolarHBondContact OD1-CE 3.44Å; D48-K56 IonicContact OD1-NZ 2.75Å; D48-K56 PolarHBondContact OD1-NZ 3.31Å; D48-K56 IonicContact OD2-NZ 2.72Å; D48-K56 PolarHBondContact OD2-NZ 3.47Å; E52-K56 WeakPolarHBondContact O-CB 3.31Å; E52-K56 VanDerWaalsContact O-CG 3.27Å; E52-K56 WeakPolarHBondContact O-CG 3.21Å; E52-K56 PolarHBondContact O-N 2.9Å; R53-K56 PolarHBondContact O-N 3.2Å; Y54-K56 VanDerWaalsContact C-N 3.32Å; Y54-K56 PolarHBondContact O-N 3.35Å; K56-K59 PolarHBondContact O-N 2.91Å; K56-H60 VanDerWaalsContact O-CB 3.32Å; K56-H60 WeakPolarHBondContact O-CB 2.93Å; K56-H60 PolarHBondContact O-CD2 2.99Å; K56-H60 PolarHBondContact O-N 3.41Å |
| 57 | L | 94.4 | Very high | 93.8 | Very high | 13 Ų | 13 | 29.6 Ų | 29.6 | 7% | 0.068 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.4 | -41.9 | 179.3 | -66.7 | 178.3 | 0 | 0 | 0 | 111.7 | L43 R53 Y54 K59 H60 S61 L290 L291 M294 | L43-L57 HydrophobicContact CD1-CD2 4.43Å; L43-L57 HydrophobicContact CD2-CD2 3.94Å; L43-L57 HydrophobicContact CG-CD2 4.12Å; R53-L57 HydrophobicContact CG-CD1 4.07Å; R53-L57 HydrophobicContact CG-CG 4.46Å; R53-L57 WeakPolarHBondContact O-CG 3.42Å; R53-L57 PolarHBondContact O-N 2.89Å; Y54-L57 PolarHBondContact O-N 3.4Å; L57-K59 VanDerWaalsContact C-N 3.28Å; L57-K59 PolarHBondContact O-N 3.33Å; L57-H60 PolarHBondContact O-N 3.4Å; L57-S61 WeakPolarHBondContact O-CA 3.34Å; L57-S61 VanDerWaalsContact O-CB 3.23Å; L57-S61 WeakPolarHBondContact O-CB 3.4Å; L57-S61 PolarHBondContact O-N 3.25Å; L57-L290 HydrophobicContact CD1-CD2 3.63Å; L57-L290 HydrophobicContact CD1-CG 4.24Å; L57-L291 HydrophobicContact CD1-CD2 4.46Å; L57-L291 HydrophobicContact CD2-CD2 4.24Å; L57-M294 HydrophobicContact CB-CE 3.74Å; L57-M294 HydrophobicContact CB-SD 3.96Å; L57-M294 HydrophobicContact CD1-SD 4.04Å |
| 58 | K | 95.5 | Very high | 94.4 | Very high | 45 Ų | 45 | 29.4 Ų | 29.4 | 20% | 0.196 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56.1 | -45.6 | 174.1 | 176.5 | 172.5 | 177.3 | -83.7 | 0 | 110.9 | Y54 M62 M294 L304 P305 E306 | Y54-K58 HydrophobicContact CE1-CD 4.2Å; Y54-K58 WeakPolarHBondContact O-CB 3.43Å; Y54-K58 PolarHBondContact O-N 3.33Å; K58-M62 WeakPolarHBondContact O-CB 3.33Å; K58-M294 HydrophobicContact CB-CE 4.42Å; K58-L304 HydrophobicContact CD-CB 4.18Å; K58-L304 WeakPolarHBondContact CE-O 3.25Å; K58-L304 HydrophobicContact CG-CB 4.4Å; K58-P305 WeakPolarHBondContact CD-O 3.29Å; K58-P305 VanDerWaalsContact CE-O 3.25Å; K58-P305 WeakPolarHBondContact CE-O 3.23Å; K58-E306 IonicContact NZ-OE1 3.67Å; K58-E306 PolarHBondContact NZ-OE1 2.87Å; K58-E306 IonicContact NZ-OE2 3.2Å; K58-E306 PolarHBondContact NZ-OE2 3.45Å |
| 59 | K | 93.6 | Very high | 95 | Very high | 142 Ų | 142 | 29.1 Ų | 29.1 | 62% | 0.617 | 14% | 0.143 | S | C | * | . | H | α-helix | trans | -72.6 | -39.8 | -178.5 | -175.9 | 176.8 | 177.1 | -174.8 | 0 | 113.6 | T55 K56 L57 | T55-K59 WeakPolarHBondContact O-CB 3.21Å; T55-K59 PolarHBondContact O-N 3.01Å; K56-K59 PolarHBondContact O-N 2.91Å; L57-K59 VanDerWaalsContact C-N 3.28Å; L57-K59 PolarHBondContact O-N 3.33Å |
| 60 | H | 93.6 | Very high | 95.5 | Very high | 36 Ų | 36 | 27.7 Ų | 27.7 | 17% | 0.167 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -110.9 | -6.2 | -165.6 | -68 | -62.3 | 0 | 0 | 0 | 115.3 | S35 D36 G37 L43 K56 L57 | S35-H60 VanDerWaalsContact CA-O 3.31Å; S35-H60 WeakPolarHBondContact CA-O 3.35Å; D36-H60 PolarHBondContact N-O 3.06Å; D36-H60 WeakPolarHBondContact OD1-CA 3.5Å; D36-H60 WeakPolarHBondContact OD1-CB 3.41Å; D36-H60 IonicContact OD1-CG 3.66Å; D36-H60 IonicContact OD1-ND1 3.55Å; D36-H60 PolarHBondContact OD1-ND1 3.4Å; G37-H60 WeakPolarHBondContact CA-ND1 3.33Å; L43-H60 HydrophobicContact CD1-CB 3.66Å; K56-H60 VanDerWaalsContact O-CB 3.32Å; K56-H60 WeakPolarHBondContact O-CB 2.93Å; K56-H60 PolarHBondContact O-CD2 2.99Å; K56-H60 PolarHBondContact O-N 3.41Å; L57-H60 PolarHBondContact O-N 3.4Å |
| 61 | S | 94.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -123.3 | -21 | -177.2 | -59.2 | 0 | 0 | 0 | 0 | 113.3 | I34 L57 D63 F64 H295 | I34-S61 WeakPolarHBondContact O-CB 3.26Å; I34-S61 PolarHBondContact O-OG 3.41Å; L57-S61 WeakPolarHBondContact O-CA 3.34Å; L57-S61 VanDerWaalsContact O-CB 3.23Å; L57-S61 WeakPolarHBondContact O-CB 3.4Å; L57-S61 PolarHBondContact O-N 3.25Å; S61-D63 PolarHBondContact O-N 3.18Å; S61-F64 WeakPolarHBondContact O-CD2 3.38Å; S61-F64 PolarHBondContact O-N 3.39Å; S61-H295 PolarHBondContact O-CE1 3.1Å |
| 62 | M | 96.4 | Very high | 96 | Very high | 10 Ų | 10 | 24.3 Ų | 24.3 | 5% | 0.049 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -10.6 | -173.8 | -63 | -62.7 | 100.2 | 0 | 0 | 115.1 | K58 F64 L291 M294 H295 H298 L304 | K58-M62 WeakPolarHBondContact O-CB 3.33Å; M62-F64 PolarHBondContact O-N 2.86Å; M62-L291 HydrophobicContact CE-CD2 4.12Å; M62-M294 HydrophobicContact CE-CB 3.82Å; M62-M294 HydrophobicContact CE-CE 4.23Å; M62-M294 HydrophobicContact CG-CE 4.42Å; M62-M294 HydrophobicContact SD-CB 3.84Å; M62-M294 HydrophobicContact SD-CE 4.28Å; M62-H295 VanDerWaalsContact CE-CE1 3.49Å; M62-H295 WeakPolarHBondContact CE-CE1 3.33Å; M62-H295 WeakPolarHBondContact CE-NE2 3.44Å; M62-H298 HydrophobicContact SD-CB 4.2Å; M62-L304 HydrophobicContact CG-CD1 3.72Å; M62-L304 HydrophobicContact SD-CD1 3.61Å; M62-L304 HydrophobicContact SD-CG 4.39Å |
| 63 | D | 96.4 | Very high | 96.4 | Very high | 83 Ų | 83 | 22.9 Ų | 22.9 | 44% | 0.444 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -9.8 | 170.3 | -74.4 | -16.1 | 0 | 0 | 0 | 112.7 | S61 F106 I107 | S61-D63 PolarHBondContact O-N 3.18Å; D63-F106 CarbonylContact O-C 3.04Å; D63-F106 WeakPolarHBondContact O-CA 3.27Å; D63-I107 HydrophobicContact CB-CD1 3.74Å; D63-I107 HydrophobicContact CB-CG1 4.08Å; D63-I107 PolarHBondContact O-N 3.22Å |
| 64 | F | 98.2 | Very high | 96.7 | Very high | 6 Ų | 6 | 22.7 Ų | 22.7 | 3% | 0.026 | 11% | 0.11 | C | C | . | . | B | Isolated β-bridge | trans | -83.2 | 148.3 | 170.3 | -62.1 | -78.8 | 0 | 0 | 0 | 111.2 | G33 S35 D36 S61 M62 I107 Q109 H295 | G33-F64 WeakPolarHBondContact O-CB 3.41Å; G33-F64 WeakPolarHBondContact O-CG 3.32Å; S35-F64 VanDerWaalsContact C-CZ 3.44Å; S35-F64 VanDerWaalsContact CA-CE2 3.48Å; D36-F64 HydrophobicContact CB-CE2 4.13Å; D36-F64 HydrophobicContact CB-CZ 4.06Å; S61-F64 WeakPolarHBondContact O-CD2 3.38Å; S61-F64 PolarHBondContact O-N 3.39Å; M62-F64 PolarHBondContact O-N 2.86Å; F64-I107 HydrophobicContact CD1-CB 4.18Å; F64-I107 HydrophobicContact CD1-CG2 4.35Å; F64-I107 VanDerWaalsContact CD1-O 3.3Å; F64-I107 WeakPolarHBondContact CD1-O 3.43Å; F64-I107 HydrophobicContact CE1-CB 3.96Å; F64-I107 HydrophobicContact CE1-CG2 3.66Å; F64-I107 HydrophobicContact CZ-CB 4.46Å; F64-I107 HydrophobicContact CZ-CG2 4.09Å; F64-Q109 HydrophobicContact CE1-CB 3.8Å; F64-Q109 HydrophobicContact CZ-CB 4.33Å; F64-H295 PolarHBondContact O-CE1 2.67Å; F64-H295 PolarHBondContact O-ND1 2.88Å |
| 65 | L | 98.4 | Very high | 96.8 | Very high | 5 Ų | 5 | 26.8 Ų | 26.8 | 3% | 0.026 | 13% | 0.126 | C | C | . | . | trans | -94.8 | 132.5 | -179 | -175.7 | 66.1 | 0 | 0 | 0 | 110 | F31 S32 F67 F93 P94 F106 Y133 | F31-L65 CarbonylContact C-O 3.5Å; F31-L65 VanDerWaalsContact CA-O 3.29Å; F31-L65 WeakPolarHBondContact CA-O 3.42Å; S32-L65 PolarHBondContact N-O 2.9Å; S32-L65 PolarHBondContact OG-N 3.09Å; L65-F67 HydrophobicContact CD2-CB 4.07Å; L65-F67 HydrophobicContact CG-CB 4.18Å; L65-F67 PolarHBondContact O-N 3.19Å; L65-F93 HydrophobicContact CD2-CD2 4.06Å; L65-F93 HydrophobicContact CD2-CE2 4.43Å; L65-P94 HydrophobicContact CD1-CG 4.29Å; L65-F106 HydrophobicContact CB-CB 4.05Å; L65-F106 HydrophobicContact CB-CD2 3.8Å; L65-F106 HydrophobicContact CB-CE2 4.49Å; L65-F106 HydrophobicContact CB-CG 3.96Å; L65-F106 HydrophobicContact CD2-CD1 4.31Å; L65-F106 HydrophobicContact CD2-CD2 4.22Å; L65-F106 HydrophobicContact CD2-CE1 4.34Å; L65-F106 HydrophobicContact CD2-CE2 4.23Å; L65-F106 HydrophobicContact CD2-CG 4.27Å; L65-F106 HydrophobicContact CD2-CZ 4.32Å; L65-Y133 VanDerWaalsContact CD1-OH 3.23Å; L65-Y133 WeakPolarHBondContact CD1-OH 3.49Å | ||
| 66 | M | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 106.2 | 162.8 | -173.4 | -166.9 | 79.6 | 0 | 0 | 107.8 | E30 F31 F69 V92 H295 Q299 F300 | E30-M66 WeakPolarHBondContact O-CA 3.47Å; F31-M66 HydrophobicContact CD1-CB 3.69Å; F31-M66 HydrophobicContact CD1-CG 3.76Å; F31-M66 HydrophobicContact CE1-CB 3.88Å; F31-M66 HydrophobicContact CE1-CG 3.62Å; F31-M66 HydrophobicContact CE1-SD 4.15Å; M66-F69 HydrophobicContact CE-CB 3.93Å; M66-F69 HydrophobicContact CE-CD2 3.42Å; M66-F69 VanDerWaalsContact CE-CD2 3.42Å; M66-F69 HydrophobicContact CE-CE2 4.34Å; M66-F69 HydrophobicContact CE-CG 4.14Å; M66-F69 HydrophobicContact SD-CD2 3.88Å; M66-V92 WeakPolarHBondContact O-CG2 3.26Å; M66-H295 HydrophobicContact CB-CB 3.95Å; M66-H295 HydrophobicContact SD-CB 4.3Å; M66-Q299 PolarHBondContact O-OE1 3.42Å; M66-F300 HydrophobicContact CE-CE2 3.3Å; M66-F300 HydrophobicContact CE-CZ 3.6Å |
| 67 | F | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | -7 | -169.7 | 54 | 19.3 | 0 | 0 | 0 | 114.9 | E30 L65 Y91 V92 I113 L116 F121 F123 V126 F127 | E30-F67 HydrophobicContact CB-CD1 4.22Å; E30-F67 HydrophobicContact CB-CE1 3.84Å; E30-F67 WeakPolarHBondContact O-CD1 3.32Å; E30-F67 PolarHBondContact O-N 3Å; L65-F67 HydrophobicContact CD2-CB 4.07Å; L65-F67 HydrophobicContact CG-CB 4.18Å; L65-F67 PolarHBondContact O-N 3.19Å; F67-Y91 CarbonylContact O-C 3.55Å; F67-Y91 WeakPolarHBondContact O-CA 3.11Å; F67-V92 PolarHBondContact O-N 3.46Å; F67-I113 HydrophobicContact CE2-CD1 4.2Å; F67-I113 HydrophobicContact CZ-CD1 4.4Å; F67-L116 HydrophobicContact CE1-CD1 3.67Å; F67-L116 HydrophobicContact CZ-CD1 3.45Å; F67-L116 VanDerWaalsContact CZ-CD1 3.45Å; F67-F121 AromaticContact CD1-CZ 3.91Å; F67-F121 HydrophobicContact CD1-CZ 3.91Å; F67-F121 HydrophobicContact CE1-CE1 4.23Å; F67-F121 HydrophobicContact CE1-CE2 4.24Å; F67-F121 AromaticContact CE1-CZ 3.77Å; F67-F121 HydrophobicContact CE1-CZ 3.77Å; F67-F121 HydrophobicContact CZ-CE1 4.38Å; F67-F121 HydrophobicContact CZ-CZ 4.36Å; F67-F123 HydrophobicContact CE2-CD1 4.44Å; F67-F123 HydrophobicContact CE2-CE1 4.19Å; F67-F123 HydrophobicContact CZ-CE1 4.11Å; F67-V126 HydrophobicContact CB-CB 4.44Å; F67-V126 HydrophobicContact CB-CG1 3.6Å; F67-V126 HydrophobicContact CB-CG2 3.94Å; F67-V126 HydrophobicContact CD1-CG2 4.47Å; F67-V126 HydrophobicContact CD2-CG1 4.02Å; F67-V126 HydrophobicContact CD2-CG2 4.33Å; F67-V126 HydrophobicContact CG-CG1 4.11Å; F67-V126 HydrophobicContact CG-CG2 4.01Å; F67-F127 HydrophobicContact CD2-CZ 4.44Å |
| 68 | Q | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 127.5 | 169.5 | -166 | -172.3 | 45.8 | 0 | 0 | 107.2 | G29 E30 N89 F90 Y91 F121 A379 | G29-Q68 WeakPolarHBondContact CA-O 3.39Å; E30-Q68 HydrophobicContact CB-CB 3.99Å; E30-Q68 HydrophobicContact CG-CB 4.29Å; E30-Q68 VanDerWaalsContact CG-OE1 3.3Å; E30-Q68 PolarHBondContact N-O 2.84Å; Q68-N89 HydrophobicContact CG-CB 4.49Å; Q68-F90 CarbonylContact C-O 3.42Å; Q68-F90 VanDerWaalsContact CA-O 3.26Å; Q68-F90 WeakPolarHBondContact CA-O 3.47Å; Q68-Y91 HydrophobicContact CG-CD1 4.32Å; Q68-Y91 HydrophobicContact CG-CE1 4.13Å; Q68-Y91 VanDerWaalsContact NE2-CZ 3.29Å; Q68-Y91 PolarHBondContact NE2-OH 2.95Å; Q68-F121 HydrophobicContact CB-CE2 3.89Å; Q68-F121 HydrophobicContact CB-CZ 4.12Å; Q68-F121 HydrophobicContact CG-CE2 4.27Å; Q68-A379 HydrophobicContact CG-CB 4.11Å; Q68-A379 VanDerWaalsContact OE1-N 3.15Å |
| 69 | F | 98.8 | Very high | 97 | Very high | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 119.3 | 173.1 | -172.1 | -89.4 | 0 | 0 | 0 | 109.2 | I27 M66 L71 F90 F270 I274 I277 T296 | I27-F69 HydrophobicContact CB-CE1 4.29Å; I27-F69 HydrophobicContact CB-CE2 4.46Å; I27-F69 HydrophobicContact CB-CZ 3.88Å; I27-F69 HydrophobicContact CD1-CE2 4.35Å; I27-F69 HydrophobicContact CD1-CZ 4.14Å; I27-F69 HydrophobicContact CG2-CE1 3.85Å; I27-F69 HydrophobicContact CG2-CZ 3.65Å; M66-F69 HydrophobicContact CE-CB 3.93Å; M66-F69 HydrophobicContact CE-CD2 3.42Å; M66-F69 VanDerWaalsContact CE-CD2 3.42Å; M66-F69 HydrophobicContact CE-CE2 4.34Å; M66-F69 HydrophobicContact CE-CG 4.14Å; M66-F69 HydrophobicContact SD-CD2 3.88Å; F69-L71 HydrophobicContact CD1-CB 4.37Å; F69-L71 HydrophobicContact CE1-CB 4.18Å; F69-F90 HydrophobicContact CB-CB 4.32Å; F69-F90 HydrophobicContact CD1-CD2 4.28Å; F69-F90 PolarHBondContact N-O 3.06Å; F69-F90 WeakPolarHBondContact O-CD2 3.49Å; F69-F90 PolarHBondContact O-N 3.42Å; F69-F270 HydrophobicContact CB-CE1 4.02Å; F69-F270 HydrophobicContact CB-CE2 4.47Å; F69-F270 HydrophobicContact CB-CZ 3.62Å; F69-F270 HydrophobicContact CD1-CE1 4.44Å; F69-F270 HydrophobicContact CD1-CE2 4.42Å; F69-F270 AromaticContact CD1-CZ 3.58Å; F69-F270 HydrophobicContact CD1-CZ 3.58Å; F69-F270 HydrophobicContact CD2-CE1 4.42Å; F69-F270 HydrophobicContact CD2-CZ 4.31Å; F69-F270 HydrophobicContact CE1-CZ 4.24Å; F69-F270 HydrophobicContact CG-CE1 4.06Å; F69-F270 AromaticContact CG-CZ 3.58Å; F69-F270 HydrophobicContact CG-CZ 3.58Å; F69-I274 HydrophobicContact CE1-CD1 4.41Å; F69-I274 HydrophobicContact CE2-CD1 4.13Å; F69-I274 HydrophobicContact CZ-CD1 3.95Å; F69-I277 HydrophobicContact CE1-CD1 4.2Å; F69-I277 HydrophobicContact CZ-CD1 4.35Å; F69-T296 HydrophobicContact CE2-CG2 4.42Å |
| 70 | G | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 131.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | I27 D28 F88 A379 | I27-G70 VanDerWaalsContact CA-O 3.28Å; I27-G70 WeakPolarHBondContact CA-O 3.29Å; D28-G70 PolarHBondContact N-O 3.23Å; D28-G70 WeakPolarHBondContact O-CA 3.4Å; D28-G70 PolarHBondContact O-N 3.26Å; G70-F88 WeakPolarHBondContact CA-O 3.27Å; G70-A379 VanDerWaalsContact CA-C 3.45Å; G70-A379 VanDerWaalsContact CA-CB 3.47Å |
| 71 | L | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 122 | 171.2 | 174.5 | 65.9 | 0 | 0 | 0 | 109 | I19 L25 I27 F69 T73 P87 F88 F90 V273 I277 | I19-L71 HydrophobicContact CD1-CD2 4.27Å; I19-L71 HydrophobicContact CG1-CD2 4.22Å; L25-L71 HydrophobicContact CB-CD1 4.13Å; L25-L71 HydrophobicContact CD2-CD1 4.41Å; I27-L71 HydrophobicContact CG2-CD1 3.88Å; F69-L71 HydrophobicContact CD1-CB 4.37Å; F69-L71 HydrophobicContact CE1-CB 4.18Å; L71-T73 HydrophobicContact CD2-CG2 4.45Å; L71-T73 HydrophobicContact CG-CG2 4.31Å; L71-P87 CarbonylContact O-C 3.37Å; L71-P87 WeakPolarHBondContact O-CA 3.42Å; L71-F88 HydrophobicContact CB-CB 4.4Å; L71-F88 HydrophobicContact CD2-CD2 4.32Å; L71-F88 HydrophobicContact CG-CD2 4.41Å; L71-F88 PolarHBondContact N-O 3.37Å; L71-F88 PolarHBondContact O-N 2.73Å; L71-F90 HydrophobicContact CB-CE2 4Å; L71-F90 HydrophobicContact CD2-CE2 4.15Å; L71-V273 HydrophobicContact CD2-CG1 4.49Å; L71-I277 HydrophobicContact CD1-CD1 4.19Å; L71-I277 HydrophobicContact CD2-CD1 4.42Å |
| 72 | C | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 123.5 | 168.3 | -167.6 | 0 | 0 | 0 | 0 | 110.2 | A26 F74 P87 A383 | A26-C72 PolarHBondContact N-O 3.44Å; A26-C72 PolarHBondContact O-N 3.19Å; C72-F74 HydrophobicContact CB-CE2 3.79Å; C72-F74 HydrophobicContact CB-CZ 4.35Å; C72-F74 VanDerWaalsContact SG-CE2 3.54Å; C72-P87 HydrophobicContact CB-CB 4.48Å; C72-A383 HydrophobicContact CB-CB 4.15Å |
| 73 | T | 98.6 | Very high | 97 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 3% | 0.025 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 142.1 | 176.9 | 71.6 | 0 | 0 | 0 | 0 | 110.3 | A18 L25 L71 T85 K86 F88 | A18-T73 HydrophobicContact CB-CG2 3.94Å; L25-T73 HydrophobicContact CD2-CG2 3.68Å; L71-T73 HydrophobicContact CD2-CG2 4.45Å; L71-T73 HydrophobicContact CG-CG2 4.31Å; T73-T85 VanDerWaalsContact O-CA 3.25Å; T73-T85 WeakPolarHBondContact O-CA 3.34Å; T73-K86 PolarHBondContact N-O 3.35Å; T73-K86 PolarHBondContact O-N 2.97Å; T73-K86 VanDerWaalsContact O-N 3.15Å; T73-K86 WeakPolarHBondContact OG1-CB 3.4Å; T73-K86 PolarHBondContact OG1-O 3.31Å; T73-F88 HydrophobicContact CG2-CE2 4.39Å |
| 74 | F | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 124 | -179 | -69.2 | -98.8 | 0 | 0 | 0 | 110.3 | D23 F24 A26 C72 Y83 T85 Y384 L388 I391 | D23-F74 PolarHBondContact N-O 3.22Å; F24-F74 HydrophobicContact CD1-CB 3.74Å; F24-F74 HydrophobicContact CD2-CB 4.48Å; F24-F74 HydrophobicContact CD2-CD2 4.27Å; F24-F74 HydrophobicContact CE1-CB 3.27Å; F24-F74 HydrophobicContact CE1-CD1 4.32Å; F24-F74 HydrophobicContact CE1-CD2 4.33Å; F24-F74 AromaticContact CE1-CG 3.75Å; F24-F74 HydrophobicContact CE1-CG 3.75Å; F24-F74 HydrophobicContact CE2-CB 4.06Å; F24-F74 AromaticContact CE2-CD2 3.56Å; F24-F74 HydrophobicContact CE2-CD2 3.56Å; F24-F74 HydrophobicContact CE2-CE2 4.16Å; F24-F74 AromaticContact CE2-CG 3.82Å; F24-F74 HydrophobicContact CE2-CG 3.82Å; F24-F74 HydrophobicContact CG-CB 4.34Å; F24-F74 HydrophobicContact CZ-CB 3.44Å; F24-F74 VanDerWaalsContact CZ-CB 3.44Å; F24-F74 AromaticContact CZ-CD1 3.82Å; F24-F74 HydrophobicContact CZ-CD1 3.82Å; F24-F74 AromaticContact CZ-CD2 3.6Å; F24-F74 HydrophobicContact CZ-CD2 3.6Å; F24-F74 HydrophobicContact CZ-CE1 4.49Å; F24-F74 HydrophobicContact CZ-CE2 4.32Å; F24-F74 AromaticContact CZ-CG 3.34Å; F24-F74 HydrophobicContact CZ-CG 3.34Å; F24-F74 PolarHBondContact N-O 2.91Å; F24-F74 PolarHBondContact O-N 3.18Å; F24-F74 VanDerWaalsContact O-N 3.1Å; A26-F74 HydrophobicContact CB-CE2 3.89Å; C72-F74 HydrophobicContact CB-CE2 3.79Å; C72-F74 HydrophobicContact CB-CZ 4.35Å; C72-F74 VanDerWaalsContact SG-CE2 3.54Å; F74-Y83 HydrophobicContact CB-CD1 4.25Å; F74-Y83 HydrophobicContact CD1-CD1 4.49Å; F74-T85 HydrophobicContact CD1-CG2 3.4Å; F74-T85 VanDerWaalsContact CD1-CG2 3.4Å; F74-T85 HydrophobicContact CE1-CG2 3.36Å; F74-T85 HydrophobicContact CG-CG2 4.15Å; F74-T85 HydrophobicContact CZ-CG2 4.07Å; F74-Y384 HydrophobicContact CE1-CD2 4.37Å; F74-Y384 HydrophobicContact CZ-CD2 4.07Å; F74-Y384 WeakPolarHBondContact CZ-O 3.39Å; F74-L388 HydrophobicContact CE1-CD2 4.15Å; F74-I391 HydrophobicContact CD1-CD1 3.65Å; F74-I391 HydrophobicContact CE1-CD1 3.96Å; F74-I391 HydrophobicContact CG-CD1 4.48Å |
| 75 | R | 97.9 | Very high | 97.1 | Very high | 91 Ų | 91 | 30.6 Ų | 30.6 | 34% | 0.343 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 128.7 | 172.9 | -176.2 | -177.8 | 74.4 | -172.7 | 3.6 | 110 | E21 Y83 I84 | E21-R75 WeakPolarHBondContact O-CD 3.46Å; E21-R75 WeakPolarHBondContact O-CG 3.29Å; E21-R75 IonicContact OE2-NH1 2.63Å; E21-R75 PolarHBondContact OE2-NH1 3.16Å; E21-R75 VanDerWaalsContact OE2-NH1 3.1Å; R75-Y83 CarbonylContact O-C 3.6Å; R75-Y83 WeakPolarHBondContact O-CA 3.48Å; R75-I84 PolarHBondContact N-O 3.1Å; R75-I84 PolarHBondContact O-N 2.92Å |
| 76 | Y | 97.6 | Very high | 97 | Very high | 49 Ų | 49 | 31.6 Ų | 31.6 | 19% | 0.192 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 123.4 | 175.7 | -168.6 | -111.4 | 0 | 0 | 0 | 111.3 | D23 S81 Y83 Y407 | D23-Y76 PolarHBondContact OD2-N 2.65Å; Y76-S81 WeakPolarHBondContact OH-CA 3.43Å; Y76-Y83 HydrophobicContact CD2-CD1 4.11Å; Y76-Y83 AromaticContact CD2-CD2 3.7Å; Y76-Y83 HydrophobicContact CD2-CD2 3.7Å; Y76-Y83 AromaticContact CD2-CE1 3.95Å; Y76-Y83 HydrophobicContact CD2-CE1 3.95Å; Y76-Y83 AromaticContact CD2-CE2 3.49Å; Y76-Y83 HydrophobicContact CD2-CE2 3.49Å; Y76-Y83 VanDerWaalsContact CD2-CE2 3.49Å; Y76-Y83 HydrophobicContact CD2-CG 4.02Å; Y76-Y83 AromaticContact CD2-CZ 3.66Å; Y76-Y83 HydrophobicContact CE2-CD2 4.15Å; Y76-Y83 AromaticContact CE2-CE2 3.88Å; Y76-Y83 HydrophobicContact CE2-CE2 3.88Å; Y76-Y83 HydrophobicContact CG-CE1 4.36Å; Y76-Y407 HydrophobicContact CD1-CD1 4.41Å; Y76-Y407 AromaticContact CD1-CD2 3.83Å; Y76-Y407 HydrophobicContact CD1-CD2 3.83Å; Y76-Y407 HydrophobicContact CD1-CE1 4.07Å; Y76-Y407 AromaticContact CD1-CE2 3.39Å; Y76-Y407 HydrophobicContact CD1-CE2 3.39Å; Y76-Y407 HydrophobicContact CD1-CG 4.3Å; Y76-Y407 AromaticContact CD1-CZ 3.54Å; Y76-Y407 AromaticContact CD2-CD2 3.69Å; Y76-Y407 HydrophobicContact CD2-CD2 3.69Å; Y76-Y407 AromaticContact CD2-CE2 3.44Å; Y76-Y407 HydrophobicContact CD2-CE2 3.44Å; Y76-Y407 VanDerWaalsContact CD2-CE2 3.44Å; Y76-Y407 HydrophobicContact CE1-CD1 4.1Å; Y76-Y407 AromaticContact CE1-CD2 3.61Å; Y76-Y407 HydrophobicContact CE1-CD2 3.61Å; Y76-Y407 HydrophobicContact CE1-CE1 4.22Å; Y76-Y407 AromaticContact CE1-CE2 3.71Å; Y76-Y407 HydrophobicContact CE1-CE2 3.71Å; Y76-Y407 AromaticContact CE1-CG 3.8Å; Y76-Y407 HydrophobicContact CE1-CG 3.8Å; Y76-Y407 AromaticContact CE2-CD2 3.48Å; Y76-Y407 HydrophobicContact CE2-CD2 3.48Å; Y76-Y407 VanDerWaalsContact CE2-CD2 3.48Å; Y76-Y407 AromaticContact CE2-CE2 3.77Å; Y76-Y407 HydrophobicContact CE2-CE2 3.77Å; Y76-Y407 HydrophobicContact CE2-CG 4.3Å; Y76-Y407 AromaticContact CG-CD2 3.85Å; Y76-Y407 HydrophobicContact CG-CD2 3.85Å; Y76-Y407 AromaticContact CG-CE2 3.23Å; Y76-Y407 HydrophobicContact CG-CE2 3.23Å; Y76-Y407 AromaticContact CG-CZ 3.72Å; Y76-Y407 AromaticContact CZ-CD2 3.43Å; Y76-Y407 VanDerWaalsContact CZ-CD2 3.43Å; Y76-Y407 AromaticContact CZ-CE2 3.88Å; Y76-Y407 AromaticContact CZ-CG 3.79Å |
| 77 | D | 96.1 | Very high | 96.9 | Very high | 33 Ų | 33 | 31.7 Ų | 31.7 | 18% | 0.176 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 102.7 | 169.2 | -176.8 | -22 | 0 | 0 | 0 | 108.7 | A79 K80 S81 K82 I84 | D77-A79 VanDerWaalsContact C-N 3.29Å; D77-A79 PolarHBondContact O-N 3.32Å; D77-A79 WeakPolarHBondContact OD1-CB 3.41Å; D77-A79 PolarHBondContact OD1-N 3.41Å; D77-K80 HydrophobicContact CB-CB 4.4Å; D77-K80 PolarHBondContact O-N 3.08Å; D77-K80 PolarHBondContact OD1-N 2.63Å; D77-K80 VanDerWaalsContact OD1-N 3.08Å; D77-K80 WeakPolarHBondContact OD2-CD 3.27Å; D77-K80 WeakPolarHBondContact OD2-CG 3.25Å; D77-S81 WeakPolarHBondContact O-CA 3.44Å; D77-S81 PolarHBondContact O-N 2.9Å; D77-K82 PolarHBondContact N-O 2.83Å; D77-K82 PolarHBondContact O-N 3.18Å; D77-I84 HydrophobicContact CB-CD1 4.02Å; D77-I84 HydrophobicContact CB-CG1 4.45Å |
| 78 | S | 92.9 | Very high | 96.9 | Very high | 96 Ų | 96 | 31.7 Ų | 31.7 | 67% | 0.671 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67 | -28.2 | -179.4 | 56.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 79 | A | 94.3 | Very high | 96.9 | Very high | 95 Ų | 95 | 31.6 Ų | 31.6 | 79% | 0.785 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -36.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D77 | D77-A79 VanDerWaalsContact C-N 3.29Å; D77-A79 PolarHBondContact O-N 3.32Å; D77-A79 WeakPolarHBondContact OD1-CB 3.41Å; D77-A79 PolarHBondContact OD1-N 3.41Å |
| 80 | K | 92.8 | Very high | 96.9 | Very high | 130 Ų | 130 | 31.6 Ų | 31.6 | 57% | 0.565 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -4.7 | 178.4 | -61.7 | -178.5 | -170.7 | 170.6 | 0 | 113.8 | D77 K82 | D77-K80 HydrophobicContact CB-CB 4.4Å; D77-K80 PolarHBondContact O-N 3.08Å; D77-K80 PolarHBondContact OD1-N 2.63Å; D77-K80 VanDerWaalsContact OD1-N 3.08Å; D77-K80 WeakPolarHBondContact OD2-CD 3.27Å; D77-K80 WeakPolarHBondContact OD2-CG 3.25Å; K80-K82 VanDerWaalsContact C-N 3.26Å; K80-K82 HydrophobicContact CB-CD 4.04Å; K80-K82 HydrophobicContact CB-CG 3.86Å; K80-K82 HydrophobicContact CD-CD 4.48Å; K80-K82 PolarHBondContact O-N 2.86Å |
| 81 | S | 93.6 | Very high | 96.9 | Very high | 73 Ų | 73 | 31.9 Ų | 31.9 | 51% | 0.51 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 40.5 | -176 | -62.4 | 0 | 0 | 0 | 0 | 113.7 | Y76 D77 | Y76-S81 WeakPolarHBondContact OH-CA 3.43Å; D77-S81 WeakPolarHBondContact O-CA 3.44Å; D77-S81 PolarHBondContact O-N 2.9Å |
| 82 | K | 95.6 | Very high | 96.9 | Very high | 40 Ų | 40 | 31.9 Ų | 31.9 | 17% | 0.174 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 158.2 | -177.9 | 71.5 | -174.4 | -172.8 | 176.9 | 0 | 112.3 | D77 K80 Q359 E361 | D77-K82 PolarHBondContact N-O 2.83Å; D77-K82 PolarHBondContact O-N 3.18Å; K80-K82 VanDerWaalsContact C-N 3.26Å; K80-K82 HydrophobicContact CB-CD 4.04Å; K80-K82 HydrophobicContact CB-CG 3.86Å; K80-K82 HydrophobicContact CD-CD 4.48Å; K80-K82 PolarHBondContact O-N 2.86Å; K82-Q359 CarbonylContact C-O 3.53Å; K82-Q359 WeakPolarHBondContact CA-O 3.43Å; K82-Q359 HydrophobicContact CB-CB 3.83Å; K82-Q359 WeakPolarHBondContact CB-O 3.28Å; K82-E361 HydrophobicContact CD-CB 4.24Å; K82-E361 WeakPolarHBondContact CE-OE2 3.43Å; K82-E361 IonicContact NZ-OE1 3.65Å; K82-E361 PolarHBondContact NZ-OE1 3.06Å; K82-E361 IonicContact NZ-OE2 3.83Å; K82-E361 PolarHBondContact NZ-OE2 2.71Å |
| 83 | Y | 97 | Very high | 96.9 | Very high | 5 Ų | 5 | 34 Ų | 34 | 2% | 0.02 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 139.3 | 172.7 | -75.1 | -90.8 | 0 | 0 | 0 | 111.2 | F24 F74 R75 Y76 Q359 V360 E361 I391 Y407 | F24-Y83 HydrophobicContact CE1-CD1 4.5Å; F24-Y83 AromaticContact CE1-CE1 3.98Å; F24-Y83 HydrophobicContact CE1-CE1 3.98Å; F74-Y83 HydrophobicContact CB-CD1 4.25Å; F74-Y83 HydrophobicContact CD1-CD1 4.49Å; R75-Y83 CarbonylContact O-C 3.6Å; R75-Y83 WeakPolarHBondContact O-CA 3.48Å; Y76-Y83 HydrophobicContact CD2-CD1 4.11Å; Y76-Y83 AromaticContact CD2-CD2 3.7Å; Y76-Y83 HydrophobicContact CD2-CD2 3.7Å; Y76-Y83 AromaticContact CD2-CE1 3.95Å; Y76-Y83 HydrophobicContact CD2-CE1 3.95Å; Y76-Y83 AromaticContact CD2-CE2 3.49Å; Y76-Y83 HydrophobicContact CD2-CE2 3.49Å; Y76-Y83 VanDerWaalsContact CD2-CE2 3.49Å; Y76-Y83 HydrophobicContact CD2-CG 4.02Å; Y76-Y83 AromaticContact CD2-CZ 3.66Å; Y76-Y83 HydrophobicContact CE2-CD2 4.15Å; Y76-Y83 AromaticContact CE2-CE2 3.88Å; Y76-Y83 HydrophobicContact CE2-CE2 3.88Å; Y76-Y83 HydrophobicContact CG-CE1 4.36Å; Y83-Q359 PolarHBondContact N-O 2.83Å; Y83-V360 CarbonylContact O-C 3.49Å; Y83-V360 WeakPolarHBondContact O-CA 3.44Å; Y83-E361 PolarHBondContact O-N 3.49Å; Y83-I391 HydrophobicContact CD1-CD1 3.89Å; Y83-I391 HydrophobicContact CD2-CD1 3.85Å; Y83-I391 HydrophobicContact CD2-CG2 4.12Å; Y83-I391 HydrophobicContact CE1-CD1 3.9Å; Y83-I391 HydrophobicContact CE1-CG1 4.2Å; Y83-I391 HydrophobicContact CE2-CB 4.43Å; Y83-I391 HydrophobicContact CE2-CD1 3.89Å; Y83-I391 HydrophobicContact CE2-CG1 4.1Å; Y83-I391 HydrophobicContact CE2-CG2 3.43Å; Y83-I391 VanDerWaalsContact CE2-CG2 3.43Å; Y83-I391 HydrophobicContact CG-CD1 3.83Å; Y83-Y407 HydrophobicContact CE1-CE2 4.47Å; Y83-Y407 HydrophobicContact CE2-CD2 4.46Å; Y83-Y407 HydrophobicContact CE2-CE2 4.39Å; Y83-Y407 AromaticContact CZ-CE2 3.8Å; Y83-Y407 WeakPolarHBondContact OH-CE2 3.41Å |
| 84 | I | 97.3 | Very high | 96.8 | Very high | 19 Ų | 19 | 34.2 Ų | 34.2 | 10% | 0.097 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 125.5 | 170.7 | -60.4 | 168.9 | 0 | 0 | 0 | 107.8 | R75 D77 E361 A363 | R75-I84 PolarHBondContact N-O 3.1Å; R75-I84 PolarHBondContact O-N 2.92Å; D77-I84 HydrophobicContact CB-CD1 4.02Å; D77-I84 HydrophobicContact CB-CG1 4.45Å; I84-E361 CarbonylContact C-O 3.58Å; I84-E361 VanDerWaalsContact CA-O 3.26Å; I84-E361 WeakPolarHBondContact CA-O 3.24Å; I84-A363 HydrophobicContact CG2-CB 3.86Å |
| 85 | T | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 146.6 | -177.5 | 59.9 | 0 | 0 | 0 | 0 | 113.6 | T73 F74 V360 E361 A363 Y384 | T73-T85 VanDerWaalsContact O-CA 3.25Å; T73-T85 WeakPolarHBondContact O-CA 3.34Å; F74-T85 HydrophobicContact CD1-CG2 3.4Å; F74-T85 VanDerWaalsContact CD1-CG2 3.4Å; F74-T85 HydrophobicContact CE1-CG2 3.36Å; F74-T85 HydrophobicContact CG-CG2 4.15Å; F74-T85 HydrophobicContact CZ-CG2 4.07Å; T85-V360 HydrophobicContact CG2-CG2 3.49Å; T85-V360 VanDerWaalsContact CG2-CG2 3.49Å; T85-E361 PolarHBondContact N-O 3.18Å; T85-A363 PolarHBondContact O-N 3.09Å; T85-Y384 HydrophobicContact CG2-CD2 4.23Å; T85-Y384 HydrophobicContact CG2-CE2 4.02Å |
| 86 | K | 97.7 | Very high | 96.3 | Very high | 27 Ų | 27 | 37.5 Ų | 37.5 | 12% | 0.117 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 99.3 | 171.5 | -58.8 | 171.3 | -177.7 | 171.2 | 0 | 108.8 | A18 E21 T73 F88 A363 F366 | A18-K86 HydrophobicContact CB-CB 4.37Å; A18-K86 HydrophobicContact CB-CD 3.6Å; E21-K86 IonicContact OE2-NZ 3.09Å; E21-K86 PolarHBondContact OE2-NZ 2.96Å; T73-K86 PolarHBondContact N-O 3.35Å; T73-K86 PolarHBondContact O-N 2.97Å; T73-K86 VanDerWaalsContact O-N 3.15Å; T73-K86 WeakPolarHBondContact OG1-CB 3.4Å; T73-K86 PolarHBondContact OG1-O 3.31Å; K86-F88 HydrophobicContact CB-CE2 3.94Å; K86-F88 HydrophobicContact CB-CZ 4.3Å; K86-F88 WeakPolarHBondContact O-CD2 3.35Å; K86-F88 WeakPolarHBondContact O-CE2 3.43Å; K86-A363 HydrophobicContact CD-CB 4.4Å; K86-A363 HydrophobicContact CG-CB 3.68Å; K86-F366 HydrophobicContact CB-CD1 3.83Å; K86-F366 HydrophobicContact CB-CE1 3.54Å; K86-F366 HydrophobicContact CB-CE2 4.32Å; K86-F366 HydrophobicContact CB-CG 4.35Å; K86-F366 HydrophobicContact CB-CZ 3.79Å; K86-F366 HydrophobicContact CD-CE2 3.99Å; K86-F366 HydrophobicContact CD-CZ 3.88Å; K86-F366 HydrophobicContact CG-CD1 4.29Å; K86-F366 HydrophobicContact CG-CD2 4.15Å; K86-F366 HydrophobicContact CG-CE1 4.05Å; K86-F366 HydrophobicContact CG-CE2 3.89Å; K86-F366 HydrophobicContact CG-CG 4.34Å; K86-F366 HydrophobicContact CG-CZ 3.83Å |
| 87 | P | 96.6 | Very high | 96 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 146.3 | 177.9 | 32.1 | -32.9 | 0 | 0 | 0 | 113 | M1 L71 C72 Y369 | M1-P87 PolarHBondContact N-O 3.08Å; L71-P87 CarbonylContact O-C 3.37Å; L71-P87 WeakPolarHBondContact O-CA 3.42Å; C72-P87 HydrophobicContact CB-CB 4.48Å; P87-Y369 HydrophobicContact CB-CD2 4.29Å; P87-Y369 HydrophobicContact CB-CE2 3.51Å; P87-Y369 HydrophobicContact CG-CD2 4.1Å; P87-Y369 HydrophobicContact CG-CE2 3.65Å |
| 88 | F | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 141.1 | -180 | -56.2 | -92.9 | 0 | 0 | 0 | 110.9 | M1 V3 V15 A18 G70 L71 T73 K86 F90 F366 | M1-F88 HydrophobicContact CB-CD1 3.93Å; M1-F88 HydrophobicContact CB-CE1 4.45Å; M1-F88 CarbonylContact O-C 3.33Å; M1-F88 WeakPolarHBondContact O-CA 3.48Å; M1-F88 HydrophobicContact SD-CD1 4.19Å; M1-F88 HydrophobicContact SD-CE1 3.78Å; V3-F88 HydrophobicContact CG2-CD1 4.24Å; V15-F88 HydrophobicContact CG2-CD1 3.94Å; V15-F88 HydrophobicContact CG2-CE1 3.65Å; V15-F88 HydrophobicContact CG2-CZ 4.13Å; A18-F88 HydrophobicContact CB-CE2 3.87Å; A18-F88 HydrophobicContact CB-CZ 3.89Å; G70-F88 WeakPolarHBondContact CA-O 3.27Å; L71-F88 HydrophobicContact CB-CB 4.4Å; L71-F88 HydrophobicContact CD2-CD2 4.32Å; L71-F88 HydrophobicContact CG-CD2 4.41Å; L71-F88 PolarHBondContact N-O 3.37Å; L71-F88 PolarHBondContact O-N 2.73Å; T73-F88 HydrophobicContact CG2-CE2 4.39Å; K86-F88 HydrophobicContact CB-CE2 3.94Å; K86-F88 HydrophobicContact CB-CZ 4.3Å; K86-F88 WeakPolarHBondContact O-CD2 3.35Å; K86-F88 WeakPolarHBondContact O-CE2 3.43Å; F88-F90 HydrophobicContact CB-CD2 4.12Å; F88-F90 HydrophobicContact CB-CE2 3.44Å; F88-F90 VanDerWaalsContact CB-CE2 3.44Å; F88-F90 HydrophobicContact CB-CZ 3.8Å; F88-F90 HydrophobicContact CD1-CZ 4.29Å; F88-F90 HydrophobicContact CG-CE2 4.15Å; F88-F90 HydrophobicContact CG-CZ 4.11Å; F88-F366 HydrophobicContact CD1-CE1 4.34Å; F88-F366 AromaticContact CE1-CE1 3.58Å; F88-F366 HydrophobicContact CE1-CE1 3.58Å; F88-F366 HydrophobicContact CE1-CZ 4.03Å; F88-F366 HydrophobicContact CE2-CE1 4.02Å; F88-F366 AromaticContact CZ-CE1 3.4Å; F88-F366 HydrophobicContact CZ-CE1 3.4Å; F88-F366 VanDerWaalsContact CZ-CE1 3.4Å; F88-F366 AromaticContact CZ-CZ 3.7Å; F88-F366 HydrophobicContact CZ-CZ 3.7Å |
| 89 | N | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 115.9 | 166.8 | -74.6 | -57.1 | 0 | 0 | 0 | 109 | M1 E2 V3 Q68 Y91 Y369 E378 G380 | M1-N89 PolarHBondContact O-N 2.7Å; E2-N89 VanDerWaalsContact OE1-CB 3.27Å; E2-N89 WeakPolarHBondContact OE1-CB 3.4Å; E2-N89 PolarHBondContact OE1-ND2 3.03Å; V3-N89 WeakPolarHBondContact CA-O 3.41Å; V3-N89 WeakPolarHBondContact CB-O 3.21Å; V3-N89 PolarHBondContact N-O 2.9Å; Q68-N89 HydrophobicContact CG-CB 4.49Å; N89-Y91 HydrophobicContact CB-CE2 4.11Å; N89-Y369 PolarHBondContact ND2-OH 2.96Å; N89-E378 PolarHBondContact ND2-OE1 3.39Å; N89-E378 PolarHBondContact ND2-OE2 2.81Å; N89-E378 PolarHBondContact OD1-OE1 2.83Å; N89-G380 WeakPolarHBondContact OD1-CA 3.47Å; N89-G380 PolarHBondContact OD1-N 3.37Å |
| 90 | F | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 116.2 | 175.4 | -60.8 | -88.3 | 0 | 0 | 0 | 109.6 | V3 F8 V15 Q68 F69 L71 F88 V92 I131 F270 V273 | V3-F90 HydrophobicContact CB-CD1 3.64Å; V3-F90 HydrophobicContact CB-CE1 3.95Å; V3-F90 HydrophobicContact CB-CG 4.37Å; V3-F90 HydrophobicContact CG1-CD1 3.75Å; V3-F90 HydrophobicContact CG1-CE1 3.87Å; V3-F90 HydrophobicContact CG2-CD1 4.09Å; V3-F90 HydrophobicContact CG2-CE1 3.94Å; V3-F90 HydrophobicContact CG2-CZ 4.5Å; F8-F90 HydrophobicContact CD2-CD1 4.36Å; F8-F90 HydrophobicContact CD2-CE1 4.44Å; F8-F90 HydrophobicContact CE2-CD1 4.29Å; F8-F90 HydrophobicContact CE2-CE1 4.25Å; V15-F90 HydrophobicContact CG1-CZ 3.93Å; V15-F90 HydrophobicContact CG2-CE1 3.98Å; V15-F90 HydrophobicContact CG2-CZ 3.71Å; Q68-F90 CarbonylContact C-O 3.42Å; Q68-F90 VanDerWaalsContact CA-O 3.26Å; Q68-F90 WeakPolarHBondContact CA-O 3.47Å; F69-F90 HydrophobicContact CB-CB 4.32Å; F69-F90 HydrophobicContact CD1-CD2 4.28Å; F69-F90 PolarHBondContact N-O 3.06Å; F69-F90 WeakPolarHBondContact O-CD2 3.49Å; F69-F90 PolarHBondContact O-N 3.42Å; L71-F90 HydrophobicContact CB-CE2 4Å; L71-F90 HydrophobicContact CD2-CE2 4.15Å; F88-F90 HydrophobicContact CB-CD2 4.12Å; F88-F90 HydrophobicContact CB-CE2 3.44Å; F88-F90 VanDerWaalsContact CB-CE2 3.44Å; F88-F90 HydrophobicContact CB-CZ 3.8Å; F88-F90 HydrophobicContact CD1-CZ 4.29Å; F88-F90 HydrophobicContact CG-CE2 4.15Å; F88-F90 HydrophobicContact CG-CZ 4.11Å; F90-V92 HydrophobicContact CB-CG1 4.33Å; F90-I131 HydrophobicContact CB-CD1 4.19Å; F90-I131 HydrophobicContact CD1-CD1 4.04Å; F90-F270 HydrophobicContact CB-CD2 3.81Å; F90-F270 HydrophobicContact CB-CE2 3.42Å; F90-F270 VanDerWaalsContact CB-CE2 3.42Å; F90-F270 HydrophobicContact CB-CZ 4.11Å; F90-F270 AromaticContact CD1-CD2 3.91Å; F90-F270 HydrophobicContact CD1-CD2 3.91Å; F90-F270 AromaticContact CD1-CE2 3.7Å; F90-F270 HydrophobicContact CD1-CE2 3.7Å; F90-F270 AromaticContact CD2-CE2 3.65Å; F90-F270 HydrophobicContact CD2-CE2 3.65Å; F90-F270 HydrophobicContact CD2-CZ 4.29Å; F90-F270 HydrophobicContact CE1-CE2 4.34Å; F90-F270 HydrophobicContact CE2-CE2 4.28Å; F90-F270 AromaticContact CG-CD2 3.89Å; F90-F270 HydrophobicContact CG-CD2 3.89Å; F90-F270 AromaticContact CG-CE2 3.31Å; F90-F270 HydrophobicContact CG-CE2 3.31Å; F90-F270 HydrophobicContact CG-CZ 4.23Å; F90-V273 HydrophobicContact CE1-CG2 4.22Å; F90-V273 HydrophobicContact CE2-CG1 4.45Å; F90-V273 HydrophobicContact CZ-CG1 4.3Å; F90-V273 HydrophobicContact CZ-CG2 4.43Å |
| 91 | Y | 98.8 | Very high | 94.3 | Very high | 7 Ų | 7 | 43.9 Ų | 43.9 | 3% | 0.027 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 117.2 | 172.9 | -64.8 | -88.6 | 0 | 0 | 0 | 109.1 | E2 V3 T4 F67 Q68 N89 F121 K125 V126 G130 I131 | E2-Y91 VanDerWaalsContact OE2-CE2 3.27Å; E2-Y91 WeakPolarHBondContact OE2-CE2 3.39Å; E2-Y91 PolarHBondContact OE2-OH 3.41Å; V3-Y91 PolarHBondContact O-N 3.45Å; T4-Y91 HydrophobicContact CG2-CD2 3.97Å; T4-Y91 HydrophobicContact CG2-CG 4.49Å; F67-Y91 CarbonylContact O-C 3.55Å; F67-Y91 WeakPolarHBondContact O-CA 3.11Å; Q68-Y91 HydrophobicContact CG-CD1 4.32Å; Q68-Y91 HydrophobicContact CG-CE1 4.13Å; Q68-Y91 VanDerWaalsContact NE2-CZ 3.29Å; Q68-Y91 PolarHBondContact NE2-OH 2.95Å; N89-Y91 HydrophobicContact CB-CE2 4.11Å; Y91-F121 HydrophobicContact CD1-CZ 4.23Å; Y91-F121 HydrophobicContact CE1-CE2 4.11Å; Y91-F121 AromaticContact CE1-CZ 3.9Å; Y91-F121 HydrophobicContact CE1-CZ 3.9Å; Y91-K125 WeakPolarHBondContact CB-O 3.26Å; Y91-K125 HydrophobicContact CD1-CB 3.54Å; Y91-K125 HydrophobicContact CD1-CD 4.44Å; Y91-K125 HydrophobicContact CD2-CB 3.96Å; Y91-K125 HydrophobicContact CD2-CD 4.11Å; Y91-K125 HydrophobicContact CE1-CB 3.76Å; Y91-K125 HydrophobicContact CE1-CD 3.91Å; Y91-K125 HydrophobicContact CE2-CB 4.17Å; Y91-K125 HydrophobicContact CE2-CD 3.54Å; Y91-K125 HydrophobicContact CE2-CG 4.47Å; Y91-K125 HydrophobicContact CG-CB 3.62Å; Y91-K125 VanDerWaalsContact CZ-CD 3.41Å; Y91-V126 HydrophobicContact CD1-CG2 3.77Å; Y91-G130 WeakPolarHBondContact O-CA 3.39Å; Y91-I131 WeakPolarHBondContact O-CB 3.47Å; Y91-I131 WeakPolarHBondContact O-CD1 3.5Å; Y91-I131 VanDerWaalsContact O-CG1 3.23Å; Y91-I131 WeakPolarHBondContact O-CG1 3.36Å; Y91-I131 PolarHBondContact O-N 2.8Å |
| 92 | V | 98.7 | Very high | 94 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -120.2 | 144.5 | -172.1 | -58.2 | 0 | 0 | 0 | 0 | 110.8 | M66 F67 F90 I131 Y133 F270 F300 | M66-V92 WeakPolarHBondContact O-CG2 3.26Å; F67-V92 PolarHBondContact O-N 3.46Å; F90-V92 HydrophobicContact CB-CG1 4.33Å; V92-I131 WeakPolarHBondContact CA-O 3.3Å; V92-I131 HydrophobicContact CG1-CB 4.47Å; V92-Y133 HydrophobicContact CB-CD1 4.27Å; V92-Y133 HydrophobicContact CB-CE1 4.48Å; V92-F270 HydrophobicContact CG1-CB 3.72Å; V92-F270 HydrophobicContact CG1-CD1 3.58Å; V92-F270 HydrophobicContact CG1-CD2 3.91Å; V92-F270 HydrophobicContact CG1-CE1 4.14Å; V92-F270 HydrophobicContact CG1-CE2 4.48Å; V92-F270 HydrophobicContact CG1-CG 3.42Å; V92-F270 VanDerWaalsContact CG1-CG 3.42Å; V92-F300 HydrophobicContact CG2-CZ 4.17Å |
| 93 | F | 98.6 | Very high | 93.9 | Very high | 43 Ų | 43 | 47.9 Ų | 47.9 | 19% | 0.189 | 24% | 0.241 | C | C | . | . | trans | -155.1 | 134.4 | -179.6 | -174.5 | -103.9 | 0 | 0 | 0 | 110.8 | L65 K95 F106 V126 F127 I131 P132 | L65-F93 HydrophobicContact CD2-CD2 4.06Å; L65-F93 HydrophobicContact CD2-CE2 4.43Å; F93-K95 HydrophobicContact CD1-CB 4.26Å; F93-K95 PolarHBondContact O-N 3.11Å; F93-F106 AromaticContact CE2-CE1 3.73Å; F93-F106 HydrophobicContact CE2-CE1 3.73Å; F93-F106 AromaticContact CE2-CZ 3.9Å; F93-F106 HydrophobicContact CE2-CZ 3.9Å; F93-F106 HydrophobicContact CZ-CE1 4.25Å; F93-V126 HydrophobicContact CB-CG1 4.41Å; F93-V126 HydrophobicContact CD2-CG1 4.03Å; F93-F127 AromaticContact CD2-CD1 3.88Å; F93-F127 HydrophobicContact CD2-CD1 3.88Å; F93-F127 HydrophobicContact CD2-CE1 4.31Å; F93-F127 AromaticContact CE2-CD1 3.59Å; F93-F127 HydrophobicContact CE2-CD1 3.59Å; F93-F127 HydrophobicContact CE2-CE1 4.02Å; F93-F127 HydrophobicContact CZ-CD1 4.37Å; F93-I131 PolarHBondContact N-O 3.07Å; F93-P132 WeakPolarHBondContact O-CA 3.33Å | ||
| 94 | P | 97.1 | Very high | 93.7 | Very high | 10 Ų | 10 | 51 Ų | 51 | 7% | 0.065 | 26% | 0.258 | C | S | . | . | trans | -74.6 | 64.1 | -178 | 30.3 | -35 | 0 | 0 | 0 | 111.9 | L65 P96 I104 Y133 | L65-P94 HydrophobicContact CD1-CG 4.29Å; P94-P96 VanDerWaalsContact O-CD 3.28Å; P94-P96 WeakPolarHBondContact O-CD 3.26Å; P94-I104 HydrophobicContact CB-CB 3.87Å; P94-I104 HydrophobicContact CB-CG1 3.87Å; P94-I104 HydrophobicContact CB-CG2 4.29Å; P94-I104 HydrophobicContact CG-CB 3.97Å; P94-I104 HydrophobicContact CG-CG2 4.09Å; P94-Y133 HydrophobicContact CB-CE1 4.02Å; P94-Y133 HydrophobicContact CB-CE2 4.37Å; P94-Y133 WeakPolarHBondContact CB-OH 3.29Å; P94-Y133 HydrophobicContact CG-CE1 4.48Å | ||
| 95 | K | 94.8 | Very high | 93.7 | Very high | 107 Ų | 107 | 59.1 Ų | 59.1 | 47% | 0.465 | 29% | 0.292 | S | S | . | . | trans | -66.8 | 120.3 | 175.7 | 177.7 | -178.7 | 174.4 | 65.9 | 0 | 109.1 | F93 F97 P132 | F93-K95 HydrophobicContact CD1-CB 4.26Å; F93-K95 PolarHBondContact O-N 3.11Å; K95-F97 PolarHBondContact O-N 2.89Å; K95-P132 HydrophobicContact CB-CB 4.45Å | ||
| 96 | P | 92.1 | Very high | 93.7 | Very high | 53 Ų | 53 | 62 Ų | 62 | 34% | 0.344 | 31% | 0.305 | S | S | . | . | trans | -58.1 | 127.2 | 176.9 | -24.4 | 34.1 | 0 | 0 | 0 | 111 | P94 S98 | P94-P96 VanDerWaalsContact O-CD 3.28Å; P94-P96 WeakPolarHBondContact O-CD 3.26Å; P96-S98 VanDerWaalsContact C-N 3.34Å | ||
| 97 | F | 89.3 | Confident | 93.7 | Very high | 85 Ų | 85 | 63.9 Ų | 63.9 | 37% | 0.373 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -65.8 | -38.4 | 179.3 | 174.8 | -107 | 0 | 0 | 0 | 111.8 | K95 L142 A267 | K95-F97 PolarHBondContact O-N 2.89Å; F97-L142 HydrophobicContact CD1-CD1 3.94Å; F97-L142 HydrophobicContact CD1-CD2 3.96Å; F97-L142 HydrophobicContact CE1-CD1 3.96Å; F97-L142 HydrophobicContact CE1-CD2 4.15Å; F97-L142 HydrophobicContact CG-CD2 4.33Å; F97-A267 HydrophobicContact CB-CB 4.44Å; F97-A267 HydrophobicContact CD2-CB 3.39Å; F97-A267 HydrophobicContact CE2-CB 3.73Å; F97-A267 HydrophobicContact CG-CB 3.98Å |
| 98 | S | 86.2 | Confident | 93.7 | Very high | 44 Ų | 44 | 66.6 Ų | 66.6 | 31% | 0.308 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -146.2 | 173.1 | -179.5 | 73.8 | 0 | 0 | 0 | 0 | 111.2 | P96 T100 S101 | P96-S98 VanDerWaalsContact C-N 3.34Å; S98-T100 PolarHBondContact O-N 2.88Å; S98-T100 PolarHBondContact OG-N 3.17Å; S98-T100 PolarHBondContact OG-OG1 3.38Å; S98-S101 PolarHBondContact N-OG 3.36Å; S98-S101 WeakPolarHBondContact O-CB 3.39Å; S98-S101 PolarHBondContact O-N 3.38Å; S98-S101 VanDerWaalsContact O-N 3.12Å; S98-S101 PolarHBondContact OG-N 2.88Å; S98-S101 PolarHBondContact OG-OG 2.93Å |
| 99 | R | 84.5 | Confident | 93.7 | Very high | 256 Ų | 256 | 69.2 Ų | 69.2 | 97% | 0.966 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -17.2 | 176.3 | -70.7 | -175.2 | 177.3 | 169.8 | -1 | 114.3 | ||
| 100 | T | 83.4 | Confident | 93.6 | Very high | 124 Ų | 124 | 74.3 Ų | 74.3 | 76% | 0.761 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -6.4 | 177.9 | 51.3 | 0 | 0 | 0 | 0 | 112.2 | S98 | S98-T100 PolarHBondContact O-N 2.88Å; S98-T100 PolarHBondContact OG-N 3.17Å; S98-T100 PolarHBondContact OG-OG1 3.38Å |
| 101 | S | 86.4 | Confident | 93.4 | Very high | 27 Ų | 27 | 77.6 Ų | 77.6 | 19% | 0.189 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -72.4 | 153.3 | 175.8 | -60 | 0 | 0 | 0 | 0 | 110.5 | S98 D103 | S98-S101 PolarHBondContact N-OG 3.36Å; S98-S101 WeakPolarHBondContact O-CB 3.39Å; S98-S101 PolarHBondContact O-N 3.38Å; S98-S101 VanDerWaalsContact O-N 3.12Å; S98-S101 PolarHBondContact OG-N 2.88Å; S98-S101 PolarHBondContact OG-OG 2.93Å; S101-D103 PolarHBondContact O-N 3.05Å |
| 102 | P | 87.4 | Confident | 93.3 | Very high | 74 Ų | 74 | 78 Ų | 78 | 48% | 0.481 | 41% | 0.409 | S | S | . | . | trans | -53.7 | 136.7 | 173.2 | -24.7 | 34.3 | 0 | 0 | 0 | 111.6 | I104 | P102-I104 HydrophobicContact CB-CD1 4.05Š| ||
| 103 | D | 93.3 | Very high | 93.2 | Very high | 123 Ų | 123 | 80 Ų | 80 | 66% | 0.658 | 42% | 0.419 | S | S | * | . | trans | -101.6 | 93.5 | 173.3 | -171.1 | 23.9 | 0 | 0 | 0 | 108.3 | S101 K105 | S101-D103 PolarHBondContact O-N 3.05Å; D103-K105 PolarHBondContact O-N 3.35Å | ||
| 104 | I | 94.6 | Very high | 93.1 | Very high | 72 Ų | 72 | 83.6 Ų | 83.6 | 37% | 0.369 | 44% | 0.44 | S | S | . | . | trans | -70.3 | 128.1 | -171.9 | -56.9 | -59.6 | 0 | 0 | 0 | 110 | P94 P102 | P94-I104 HydrophobicContact CB-CB 3.87Å; P94-I104 HydrophobicContact CB-CG1 3.87Å; P94-I104 HydrophobicContact CB-CG2 4.29Å; P94-I104 HydrophobicContact CG-CB 3.97Å; P94-I104 HydrophobicContact CG-CG2 4.09Å; P102-I104 HydrophobicContact CB-CD1 4.05Å | ||
| 105 | K | 97 | Very high | 93 | Very high | 189 Ų | 189 | 87.1 Ų | 87.1 | 82% | 0.822 | 46% | 0.455 | S | S | * | . | trans | -102.5 | 135.4 | 172.6 | -60.8 | 175.1 | -174.5 | 174.6 | 0 | 108.3 | D103 | D103-K105 PolarHBondContact O-N 3.35Š| ||
| 106 | F | 97.4 | Very high | 93.1 | Very high | 61 Ų | 61 | 82.2 Ų | 82.2 | 27% | 0.268 | 43% | 0.433 | S | S | . | . | trans | -136.5 | 159.2 | 177.9 | 64.2 | -83.3 | 0 | 0 | 0 | 109.8 | D63 L65 F93 C108 F127 | D63-F106 CarbonylContact O-C 3.04Å; D63-F106 WeakPolarHBondContact O-CA 3.27Å; L65-F106 HydrophobicContact CB-CB 4.05Å; L65-F106 HydrophobicContact CB-CD2 3.8Å; L65-F106 HydrophobicContact CB-CE2 4.49Å; L65-F106 HydrophobicContact CB-CG 3.96Å; L65-F106 HydrophobicContact CD2-CD1 4.31Å; L65-F106 HydrophobicContact CD2-CD2 4.22Å; L65-F106 HydrophobicContact CD2-CE1 4.34Å; L65-F106 HydrophobicContact CD2-CE2 4.23Å; L65-F106 HydrophobicContact CD2-CG 4.27Å; L65-F106 HydrophobicContact CD2-CZ 4.32Å; F93-F106 AromaticContact CE2-CE1 3.73Å; F93-F106 HydrophobicContact CE2-CE1 3.73Å; F93-F106 AromaticContact CE2-CZ 3.9Å; F93-F106 HydrophobicContact CE2-CZ 3.9Å; F93-F106 HydrophobicContact CZ-CE1 4.25Å; F106-C108 VanDerWaalsContact CE2-SG 3.55Å; F106-F127 HydrophobicContact CE2-CE1 4.18Å; F106-F127 AromaticContact CZ-CE1 3.81Å; F106-F127 HydrophobicContact CZ-CE1 3.81Å | ||
| 107 | I | 96.9 | Very high | 93.3 | Very high | 65 Ų | 65 | 82.1 Ų | 82.1 | 33% | 0.333 | 44% | 0.437 | S | S | . | . | B | Isolated β-bridge | trans | -99.2 | 148.7 | -179.6 | -57.7 | 177.1 | 0 | 0 | 0 | 109.5 | S32 D36 D63 F64 | S32-I107 WeakPolarHBondContact CB-O 3.32Å; S32-I107 PolarHBondContact OG-O 3.17Å; D36-I107 HydrophobicContact CB-CD1 4.41Å; D63-I107 HydrophobicContact CB-CD1 3.74Å; D63-I107 HydrophobicContact CB-CG1 4.08Å; D63-I107 PolarHBondContact O-N 3.22Å; F64-I107 HydrophobicContact CD1-CB 4.18Å; F64-I107 HydrophobicContact CD1-CG2 4.35Å; F64-I107 VanDerWaalsContact CD1-O 3.3Å; F64-I107 WeakPolarHBondContact CD1-O 3.43Å; F64-I107 HydrophobicContact CE1-CB 3.96Å; F64-I107 HydrophobicContact CE1-CG2 3.66Å; F64-I107 HydrophobicContact CZ-CB 4.46Å; F64-I107 HydrophobicContact CZ-CG2 4.09Å |
| 108 | C | 97.6 | Very high | 93.5 | Very high | 59 Ų | 59 | 81.9 Ų | 81.9 | 40% | 0.399 | 45% | 0.446 | S | S | . | . | trans | -118.6 | 130.4 | 168.7 | -66.2 | 0 | 0 | 0 | 0 | 109.2 | S32 F106 I113 | S32-C108 WeakPolarHBondContact O-CA 3.49Å; F106-C108 VanDerWaalsContact CE2-SG 3.55Å; C108-I113 HydrophobicContact CB-CD1 4.35Å; C108-I113 HydrophobicContact CB-CG1 4.04Å | ||
| 109 | Q | 96.3 | Very high | 93.9 | Very high | 55 Ų | 55 | 84.1 Ų | 84.1 | 26% | 0.257 | 45% | 0.451 | S | S | . | . | trans | -93 | 118.6 | 173.9 | -178 | 179.3 | -16.7 | 0 | 0 | 108.9 | S32 F64 S111 S112 I113 | S32-Q109 PolarHBondContact O-N 2.86Å; F64-Q109 HydrophobicContact CE1-CB 3.8Å; F64-Q109 HydrophobicContact CZ-CB 4.33Å; Q109-S111 VanDerWaalsContact C-N 3.27Å; Q109-S111 WeakPolarHBondContact CG-OG 3.45Å; Q109-S111 PolarHBondContact NE2-OG 3.04Å; Q109-S111 PolarHBondContact O-N 2.64Å; Q109-S111 VanDerWaalsContact O-N 3.15Å; Q109-S112 PolarHBondContact O-N 3.48Å; Q109-I113 PolarHBondContact O-N 2.87Å | ||
| 110 | S | 96.3 | Very high | 94.2 | Very high | 106 Ų | 106 | 75 Ų | 75 | 74% | 0.741 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -53 | -42.1 | -173.5 | -52.8 | 0 | 0 | 0 | 0 | 113.4 | S112 I113 D114 | S110-S112 PolarHBondContact O-N 3.41Å; S110-I113 PolarHBondContact O-N 2.76Å; S110-D114 WeakPolarHBondContact O-CB 3.44Å; S110-D114 PolarHBondContact O-N 2.8Å |
| 111 | S | 95.2 | Very high | 94.8 | Very high | 69 Ų | 69 | 70.1 Ų | 70.1 | 48% | 0.483 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.1 | -35.5 | 178.5 | 58.8 | 0 | 0 | 0 | 0 | 113.5 | Q109 F115 | Q109-S111 VanDerWaalsContact C-N 3.27Å; Q109-S111 WeakPolarHBondContact CG-OG 3.45Å; Q109-S111 PolarHBondContact NE2-OG 3.04Å; Q109-S111 PolarHBondContact O-N 2.64Å; Q109-S111 VanDerWaalsContact O-N 3.15Å; S111-F115 VanDerWaalsContact O-CB 3.24Å; S111-F115 WeakPolarHBondContact O-CB 3.33Å; S111-F115 PolarHBondContact O-N 2.97Å |
| 112 | S | 95.6 | Very high | 95.3 | Very high | 16 Ų | 16 | 71.6 Ų | 71.6 | 11% | 0.112 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -73.7 | -39.2 | 178.2 | -63.6 | 0 | 0 | 0 | 0 | 111.2 | Q109 S110 F115 L116 | Q109-S112 PolarHBondContact O-N 3.48Å; S110-S112 PolarHBondContact O-N 3.41Å; S112-F115 PolarHBondContact O-N 2.81Å; S112-L116 WeakPolarHBondContact O-CG 3.37Å; S112-L116 PolarHBondContact O-N 3.25Å |
| 113 | I | 97.4 | Very high | 95.8 | Very high | 43 Ų | 43 | 70 Ų | 70 | 22% | 0.221 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.1 | -45.3 | 175.2 | -61.2 | -58 | 0 | 0 | 0 | 111.1 | F67 C108 Q109 S110 F115 L116 A117 F123 | F67-I113 HydrophobicContact CE2-CD1 4.2Å; F67-I113 HydrophobicContact CZ-CD1 4.4Å; C108-I113 HydrophobicContact CB-CD1 4.35Å; C108-I113 HydrophobicContact CB-CG1 4.04Å; Q109-I113 PolarHBondContact O-N 2.87Å; S110-I113 PolarHBondContact O-N 2.76Å; I113-F115 VanDerWaalsContact C-N 3.34Å; I113-L116 PolarHBondContact O-N 2.9Å; I113-A117 WeakPolarHBondContact O-CB 3.34Å; I113-A117 PolarHBondContact O-N 2.61Å; I113-F123 HydrophobicContact CD1-CE1 3.91Å; I113-F123 HydrophobicContact CD1-CZ 4.39Å; I113-F123 HydrophobicContact CG2-CE1 4.19Å; I113-F123 HydrophobicContact CG2-CE2 4.32Å; I113-F123 HydrophobicContact CG2-CZ 3.77Å |
| 114 | D | 97.3 | Very high | 96 | Very high | 117 Ų | 117 | 69.3 Ų | 69.3 | 63% | 0.626 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -60.9 | -43.6 | 176.2 | -177.4 | 65.9 | 0 | 0 | 0 | 111.6 | S110 A117 S118 | S110-D114 WeakPolarHBondContact O-CB 3.44Å; S110-D114 PolarHBondContact O-N 2.8Å; D114-A117 WeakPolarHBondContact O-CB 3.37Å; D114-A117 PolarHBondContact O-N 2.89Å; D114-S118 PolarHBondContact O-N 3.5Å |
| 115 | F | 94.8 | Very high | 96.2 | Very high | 85 Ų | 85 | 68.5 Ų | 68.5 | 37% | 0.373 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -57.3 | -53.7 | 174.7 | 176.8 | -104.7 | 0 | 0 | 0 | 111.8 | S111 S112 I113 A117 S118 Q119 H377 | S111-F115 VanDerWaalsContact O-CB 3.24Å; S111-F115 WeakPolarHBondContact O-CB 3.33Å; S111-F115 PolarHBondContact O-N 2.97Å; S112-F115 PolarHBondContact O-N 2.81Å; I113-F115 VanDerWaalsContact C-N 3.34Å; F115-A117 VanDerWaalsContact C-N 3.31Å; F115-A117 PolarHBondContact O-N 3.23Å; F115-S118 WeakPolarHBondContact O-CB 3.43Å; F115-S118 PolarHBondContact O-N 3.36Å; F115-S118 PolarHBondContact O-OG 2.94Å; F115-Q119 HydrophobicContact CE1-CG 4.45Å; F115-Q119 HydrophobicContact CZ-CG 4.34Å; F115-Q119 WeakPolarHBondContact O-CG 3.33Å; F115-Q119 PolarHBondContact O-N 3.41Å; F115-H377 HydrophobicContact CE1-CB 3.97Å; F115-H377 AromaticContact CE1-CG 3.63Å; F115-H377 AromaticContact CE1-ND1 3.82Å; F115-H377 HydrophobicContact CZ-CB 4.21Å; F115-H377 AromaticContact CZ-CD2 3.42Å; F115-H377 VanDerWaalsContact CZ-CD2 3.42Å; F115-H377 WeakPolarHBondContact CZ-CD2 3.41Å; F115-H377 AromaticContact CZ-CE1 3.74Å; F115-H377 AromaticContact CZ-CG 3.46Å; F115-H377 VanDerWaalsContact CZ-CG 3.46Å; F115-H377 AromaticContact CZ-ND1 3.67Å; F115-H377 AromaticContact CZ-NE2 3.59Å |
| 116 | L | 96.3 | Very high | 96.2 | Very high | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.016 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.5 | -38.2 | 178.4 | -71.9 | 171.1 | 0 | 0 | 0 | 112.6 | E30 F67 S112 I113 S118 Q119 G120 F121 F123 | E30-L116 HydrophobicContact CB-CD2 4.39Å; E30-L116 HydrophobicContact CG-CD2 4.2Å; E30-L116 WeakPolarHBondContact OE2-CD2 3.43Å; F67-L116 HydrophobicContact CE1-CD1 3.67Å; F67-L116 HydrophobicContact CZ-CD1 3.45Å; F67-L116 VanDerWaalsContact CZ-CD1 3.45Å; S112-L116 WeakPolarHBondContact O-CG 3.37Å; S112-L116 PolarHBondContact O-N 3.25Å; I113-L116 PolarHBondContact O-N 2.9Å; L116-S118 VanDerWaalsContact C-N 3.29Å; L116-S118 PolarHBondContact O-N 3.11Å; L116-Q119 PolarHBondContact O-N 2.86Å; L116-Q119 VanDerWaalsContact O-N 3.12Å; L116-G120 PolarHBondContact O-N 2.93Å; L116-F121 HydrophobicContact CB-CB 3.9Å; L116-F121 HydrophobicContact CB-CG 4.24Å; L116-F121 HydrophobicContact CD2-CD2 4.27Å; L116-F121 WeakPolarHBondContact O-CB 3.49Å; L116-F121 PolarHBondContact O-N 2.88Å; L116-F121 VanDerWaalsContact O-N 3.08Å; L116-F123 HydrophobicContact CB-CZ 3.94Å |
| 117 | A | 95.4 | Very high | 96.3 | Very high | 51 Ų | 51 | 60.8 Ų | 60.8 | 42% | 0.421 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.9 | -40.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I113 D114 F115 Q119 G120 F123 | I113-A117 WeakPolarHBondContact O-CB 3.34Å; I113-A117 PolarHBondContact O-N 2.61Å; D114-A117 WeakPolarHBondContact O-CB 3.37Å; D114-A117 PolarHBondContact O-N 2.89Å; F115-A117 VanDerWaalsContact C-N 3.31Å; F115-A117 PolarHBondContact O-N 3.23Å; A117-Q119 PolarHBondContact O-N 2.99Å; A117-G120 PolarHBondContact O-N 3.35Å; A117-G120 VanDerWaalsContact O-N 3.08Å; A117-F123 HydrophobicContact CB-CE2 4.01Å |
| 118 | S | 95 | Very high | 96.3 | Very high | 80 Ų | 80 | 59.2 Ų | 59.2 | 56% | 0.559 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64.4 | -23.9 | 176.9 | 81.7 | 0 | 0 | 0 | 0 | 113.6 | D114 F115 L116 G120 | D114-S118 PolarHBondContact O-N 3.5Å; F115-S118 WeakPolarHBondContact O-CB 3.43Å; F115-S118 PolarHBondContact O-N 3.36Å; F115-S118 PolarHBondContact O-OG 2.94Å; L116-S118 VanDerWaalsContact C-N 3.29Å; L116-S118 PolarHBondContact O-N 3.11Å; S118-G120 VanDerWaalsContact C-N 3.34Å |
| 119 | Q | 92.7 | Very high | 96.3 | Very high | 91 Ų | 91 | 59.6 Ų | 59.6 | 43% | 0.425 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 3.1 | 176.8 | -55.5 | -57.1 | -58.6 | 0 | 0 | 112.7 | F115 L116 A117 H377 | F115-Q119 HydrophobicContact CE1-CG 4.45Å; F115-Q119 HydrophobicContact CZ-CG 4.34Å; F115-Q119 WeakPolarHBondContact O-CG 3.33Å; F115-Q119 PolarHBondContact O-N 3.41Å; L116-Q119 PolarHBondContact O-N 2.86Å; L116-Q119 VanDerWaalsContact O-N 3.12Å; A117-Q119 PolarHBondContact O-N 2.99Å; Q119-H377 HydrophobicContact CB-CB 4.31Å; Q119-H377 HydrophobicContact CG-CB 3.84Å |
| 120 | G | 92.5 | Very high | 96.4 | Very high | 66 Ų | 66 | 57 Ų | 57 | 68% | 0.68 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | 19.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.5 | L116 A117 S118 D122 | L116-G120 PolarHBondContact O-N 2.93Å; A117-G120 PolarHBondContact O-N 3.35Å; A117-G120 VanDerWaalsContact O-N 3.08Å; S118-G120 VanDerWaalsContact C-N 3.34Å; G120-D122 PolarHBondContact O-N 2.94Å |
| 121 | F | 95.3 | Very high | 96.5 | Very high | 20 Ų | 20 | 52 Ų | 52 | 9% | 0.088 | 30% | 0.302 | C | S | . | . | trans | -61.9 | 127.5 | 176.7 | -169.4 | -84.9 | 0 | 0 | 0 | 111.7 | E30 F67 Q68 Y91 L116 F123 V126 | E30-F121 HydrophobicContact CB-CE2 4.47Å; F67-F121 AromaticContact CD1-CZ 3.91Å; F67-F121 HydrophobicContact CD1-CZ 3.91Å; F67-F121 HydrophobicContact CE1-CE1 4.23Å; F67-F121 HydrophobicContact CE1-CE2 4.24Å; F67-F121 AromaticContact CE1-CZ 3.77Å; F67-F121 HydrophobicContact CE1-CZ 3.77Å; F67-F121 HydrophobicContact CZ-CE1 4.38Å; F67-F121 HydrophobicContact CZ-CZ 4.36Å; Q68-F121 HydrophobicContact CB-CE2 3.89Å; Q68-F121 HydrophobicContact CB-CZ 4.12Å; Q68-F121 HydrophobicContact CG-CE2 4.27Å; Y91-F121 HydrophobicContact CD1-CZ 4.23Å; Y91-F121 HydrophobicContact CE1-CE2 4.11Å; Y91-F121 AromaticContact CE1-CZ 3.9Å; Y91-F121 HydrophobicContact CE1-CZ 3.9Å; L116-F121 HydrophobicContact CB-CB 3.9Å; L116-F121 HydrophobicContact CB-CG 4.24Å; L116-F121 HydrophobicContact CD2-CD2 4.27Å; L116-F121 WeakPolarHBondContact O-CB 3.49Å; L116-F121 PolarHBondContact O-N 2.88Å; L116-F121 VanDerWaalsContact O-N 3.08Å; F121-F123 AromaticContact CD1-CD1 3.71Å; F121-F123 HydrophobicContact CD1-CD1 3.71Å; F121-F123 HydrophobicContact CD1-CD2 4.24Å; F121-F123 AromaticContact CD1-CE1 3.71Å; F121-F123 HydrophobicContact CD1-CE1 3.71Å; F121-F123 HydrophobicContact CD1-CE2 4.24Å; F121-F123 AromaticContact CD1-CG 3.98Å; F121-F123 HydrophobicContact CD1-CG 3.98Å; F121-F123 AromaticContact CD1-CZ 3.99Å; F121-F123 HydrophobicContact CD1-CZ 3.99Å; F121-F123 AromaticContact CE1-CD1 3.79Å; F121-F123 HydrophobicContact CE1-CD1 3.79Å; F121-F123 HydrophobicContact CE1-CE1 4.01Å; F121-F123 HydrophobicContact CE1-CG 4.33Å; F121-F123 PolarHBondContact O-N 2.67Å; F121-V126 HydrophobicContact CE1-CG2 3.69Å; F121-V126 HydrophobicContact CZ-CG2 3.71Å | ||
| 122 | D | 96.4 | Very high | 96.6 | Very high | 59 Ų | 59 | 49.7 Ų | 49.7 | 32% | 0.316 | 29% | 0.285 | S | S | . | . | trans | -92.6 | 94.6 | 178.2 | -176.8 | 3.7 | 0 | 0 | 0 | 111.7 | G120 N124 K125 | G120-D122 PolarHBondContact O-N 2.94Å; D122-N124 PolarHBondContact O-N 3.19Å; D122-N124 VanDerWaalsContact O-N 3.12Å; D122-N124 VanDerWaalsContact OD1-CB 3.26Å; D122-N124 WeakPolarHBondContact OD1-CB 3.24Å; D122-N124 PolarHBondContact OD1-N 3.06Å; D122-N124 PolarHBondContact OD1-ND2 2.76Å; D122-K125 HydrophobicContact CB-CD 4.06Å; D122-K125 HydrophobicContact CB-CG 4.11Å; D122-K125 WeakPolarHBondContact O-CB 3.37Å; D122-K125 PolarHBondContact O-N 3.42Å | ||
| 123 | F | 98 | Very high | 96.8 | Very high | 40 Ų | 40 | 49.9 Ų | 49.9 | 18% | 0.175 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.3 | -20 | 177.5 | -65.2 | -76.4 | 0 | 0 | 0 | 114.2 | F67 I113 L116 A117 F121 K125 V126 F127 | F67-F123 HydrophobicContact CE2-CD1 4.44Å; F67-F123 HydrophobicContact CE2-CE1 4.19Å; F67-F123 HydrophobicContact CZ-CE1 4.11Å; I113-F123 HydrophobicContact CD1-CE1 3.91Å; I113-F123 HydrophobicContact CD1-CZ 4.39Å; I113-F123 HydrophobicContact CG2-CE1 4.19Å; I113-F123 HydrophobicContact CG2-CE2 4.32Å; I113-F123 HydrophobicContact CG2-CZ 3.77Å; L116-F123 HydrophobicContact CB-CZ 3.94Å; A117-F123 HydrophobicContact CB-CE2 4.01Å; F121-F123 AromaticContact CD1-CD1 3.71Å; F121-F123 HydrophobicContact CD1-CD1 3.71Å; F121-F123 HydrophobicContact CD1-CD2 4.24Å; F121-F123 AromaticContact CD1-CE1 3.71Å; F121-F123 HydrophobicContact CD1-CE1 3.71Å; F121-F123 HydrophobicContact CD1-CE2 4.24Å; F121-F123 AromaticContact CD1-CG 3.98Å; F121-F123 HydrophobicContact CD1-CG 3.98Å; F121-F123 AromaticContact CD1-CZ 3.99Å; F121-F123 HydrophobicContact CD1-CZ 3.99Å; F121-F123 AromaticContact CE1-CD1 3.79Å; F121-F123 HydrophobicContact CE1-CD1 3.79Å; F121-F123 HydrophobicContact CE1-CE1 4.01Å; F121-F123 HydrophobicContact CE1-CG 4.33Å; F121-F123 PolarHBondContact O-N 2.67Å; F123-K125 VanDerWaalsContact C-N 3.27Å; F123-K125 PolarHBondContact O-N 3.03Å; F123-V126 PolarHBondContact O-N 2.8Å; F123-F127 HydrophobicContact CB-CD2 3.87Å; F123-F127 HydrophobicContact CB-CE2 3.81Å; F123-F127 AromaticContact CD1-CE2 3.78Å; F123-F127 HydrophobicContact CD1-CE2 3.78Å; F123-F127 HydrophobicContact CD1-CZ 4.42Å; F123-F127 HydrophobicContact CG-CE2 4.17Å; F123-F127 VanDerWaalsContact O-CD2 3.29Å; F123-F127 WeakPolarHBondContact O-CD2 3.41Å; F123-F127 PolarHBondContact O-N 2.88Å |
| 124 | N | 98.2 | Very high | 96.7 | Very high | 109 Ų | 109 | 48.8 Ų | 48.8 | 58% | 0.583 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -68.6 | -30 | 175.8 | -60 | -66.4 | 0 | 0 | 0 | 111.7 | D122 V126 G128 H129 | D122-N124 PolarHBondContact O-N 3.19Å; D122-N124 VanDerWaalsContact O-N 3.12Å; D122-N124 VanDerWaalsContact OD1-CB 3.26Å; D122-N124 WeakPolarHBondContact OD1-CB 3.24Å; D122-N124 PolarHBondContact OD1-N 3.06Å; D122-N124 PolarHBondContact OD1-ND2 2.76Å; N124-V126 PolarHBondContact O-N 2.95Å; N124-G128 VanDerWaalsContact O-CA 3.26Å; N124-G128 WeakPolarHBondContact O-CA 3.42Å; N124-G128 PolarHBondContact O-N 3.38Å; N124-H129 PolarHBondContact O-CD2 3.08Å; N124-H129 PolarHBondContact O-N 3.39Å; N124-H129 VanDerWaalsContact O-N 3.07Å |
| 125 | K | 98.1 | Very high | 96.7 | Very high | 55 Ų | 55 | 44 Ų | 44 | 24% | 0.239 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.2 | -31.7 | 173.9 | -65.7 | 178.3 | -174.6 | 169.6 | 0 | 111.6 | E2 T4 Y91 D122 F123 H129 G130 | E2-K125 IonicContact OE2-NZ 2.65Å; E2-K125 PolarHBondContact OE2-NZ 2.97Å; T4-K125 HydrophobicContact CG2-CB 4.26Å; T4-K125 HydrophobicContact CG2-CG 4.4Å; Y91-K125 WeakPolarHBondContact CB-O 3.26Å; Y91-K125 HydrophobicContact CD1-CB 3.54Å; Y91-K125 HydrophobicContact CD1-CD 4.44Å; Y91-K125 HydrophobicContact CD2-CB 3.96Å; Y91-K125 HydrophobicContact CD2-CD 4.11Å; Y91-K125 HydrophobicContact CE1-CB 3.76Å; Y91-K125 HydrophobicContact CE1-CD 3.91Å; Y91-K125 HydrophobicContact CE2-CB 4.17Å; Y91-K125 HydrophobicContact CE2-CD 3.54Å; Y91-K125 HydrophobicContact CE2-CG 4.47Å; Y91-K125 HydrophobicContact CG-CB 3.62Å; Y91-K125 VanDerWaalsContact CZ-CD 3.41Å; D122-K125 HydrophobicContact CB-CD 4.06Å; D122-K125 HydrophobicContact CB-CG 4.11Å; D122-K125 WeakPolarHBondContact O-CB 3.37Å; D122-K125 PolarHBondContact O-N 3.42Å; F123-K125 VanDerWaalsContact C-N 3.27Å; F123-K125 PolarHBondContact O-N 3.03Å; K125-H129 CarbonylContact O-C 3.6Å; K125-G130 WeakPolarHBondContact O-CA 3.37Å; K125-G130 PolarHBondContact O-N 3.12Å |
| 126 | V | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -78.6 | -68.4 | 172.3 | 177.9 | 0 | 0 | 0 | 0 | 111 | F67 Y91 F93 F121 F123 N124 G128 G130 | F67-V126 HydrophobicContact CB-CB 4.44Å; F67-V126 HydrophobicContact CB-CG1 3.6Å; F67-V126 HydrophobicContact CB-CG2 3.94Å; F67-V126 HydrophobicContact CD1-CG2 4.47Å; F67-V126 HydrophobicContact CD2-CG1 4.02Å; F67-V126 HydrophobicContact CD2-CG2 4.33Å; F67-V126 HydrophobicContact CG-CG1 4.11Å; F67-V126 HydrophobicContact CG-CG2 4.01Å; Y91-V126 HydrophobicContact CD1-CG2 3.77Å; F93-V126 HydrophobicContact CB-CG1 4.41Å; F93-V126 HydrophobicContact CD2-CG1 4.03Å; F121-V126 HydrophobicContact CE1-CG2 3.69Å; F121-V126 HydrophobicContact CZ-CG2 3.71Å; F123-V126 PolarHBondContact O-N 2.8Å; N124-V126 PolarHBondContact O-N 2.95Å; V126-G128 PolarHBondContact O-N 3.08Å; V126-G130 WeakPolarHBondContact O-CA 3.25Å; V126-G130 PolarHBondContact O-N 2.97Å |
| 127 | F | 98 | Very high | 96.4 | Very high | 87 Ų | 87 | 48.7 Ų | 48.7 | 38% | 0.382 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -76.8 | -29.1 | -165.3 | -56.4 | -56 | 0 | 0 | 0 | 113.2 | F67 F93 F106 F123 | F67-F127 HydrophobicContact CD2-CZ 4.44Å; F93-F127 AromaticContact CD2-CD1 3.88Å; F93-F127 HydrophobicContact CD2-CD1 3.88Å; F93-F127 HydrophobicContact CD2-CE1 4.31Å; F93-F127 AromaticContact CE2-CD1 3.59Å; F93-F127 HydrophobicContact CE2-CD1 3.59Å; F93-F127 HydrophobicContact CE2-CE1 4.02Å; F93-F127 HydrophobicContact CZ-CD1 4.37Å; F106-F127 HydrophobicContact CE2-CE1 4.18Å; F106-F127 AromaticContact CZ-CE1 3.81Å; F106-F127 HydrophobicContact CZ-CE1 3.81Å; F123-F127 HydrophobicContact CB-CD2 3.87Å; F123-F127 HydrophobicContact CB-CE2 3.81Å; F123-F127 AromaticContact CD1-CE2 3.78Å; F123-F127 HydrophobicContact CD1-CE2 3.78Å; F123-F127 HydrophobicContact CD1-CZ 4.42Å; F123-F127 HydrophobicContact CG-CE2 4.17Å; F123-F127 VanDerWaalsContact O-CD2 3.29Å; F123-F127 WeakPolarHBondContact O-CD2 3.41Å; F123-F127 PolarHBondContact O-N 2.88Å |
| 128 | G | 97.2 | Very high | 96.3 | Very high | 32 Ų | 32 | 48 Ų | 48 | 33% | 0.33 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -42.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R5 N124 V126 | R5-G128 PolarHBondContact NH1-O 3.21Å; R5-G128 PolarHBondContact NH2-O 3Å; N124-G128 VanDerWaalsContact O-CA 3.26Å; N124-G128 WeakPolarHBondContact O-CA 3.42Å; N124-G128 PolarHBondContact O-N 3.38Å; V126-G128 PolarHBondContact O-N 3.08Å |
| 129 | H | 97.8 | Very high | 96.3 | Very high | 68 Ų | 68 | 46 Ų | 46 | 32% | 0.315 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.3 | 11.7 | -166.7 | -54.3 | -63.6 | 0 | 0 | 0 | 115 | T4 R5 Q6 N124 K125 | T4-H129 WeakPolarHBondContact CB-O 3.26Å; T4-H129 HydrophobicContact CG2-CB 4.4Å; R5-H129 WeakPolarHBondContact CB-O 2.72Å; R5-H129 PolarHBondContact N-O 2.65Å; Q6-H129 PolarHBondContact NE2-CE1 3.44Å; Q6-H129 PolarHBondContact NE2-ND1 3.05Å; N124-H129 PolarHBondContact O-CD2 3.08Å; N124-H129 PolarHBondContact O-N 3.39Å; N124-H129 VanDerWaalsContact O-N 3.07Å; K125-H129 CarbonylContact O-C 3.6Å |
| 130 | G | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -61.6 | 137.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R5 Y91 K125 V126 | R5-G130 WeakPolarHBondContact CB-O 3.31Å; R5-G130 PolarHBondContact NH1-O 3.46Å; Y91-G130 WeakPolarHBondContact O-CA 3.39Å; K125-G130 WeakPolarHBondContact O-CA 3.37Å; K125-G130 PolarHBondContact O-N 3.12Å; V126-G130 WeakPolarHBondContact O-CA 3.25Å; V126-G130 PolarHBondContact O-N 2.97Å |
| 131 | I | 98.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -66.4 | 125.5 | 174.4 | -54 | 159.6 | 0 | 0 | 0 | 107.1 | V3 T4 F8 F90 Y91 V92 F93 F270 | V3-I131 HydrophobicContact CG1-CD1 4.07Å; T4-I131 VanDerWaalsContact C-CG1 3.41Å; F8-I131 HydrophobicContact CB-CD1 4.19Å; F8-I131 HydrophobicContact CB-CG1 4.07Å; F8-I131 HydrophobicContact CB-CG2 4.33Å; F8-I131 HydrophobicContact CD1-CG2 3.79Å; F8-I131 HydrophobicContact CD2-CD1 3.61Å; F8-I131 HydrophobicContact CD2-CG1 4.24Å; F8-I131 HydrophobicContact CD2-CG2 4.06Å; F8-I131 HydrophobicContact CE1-CG2 4.06Å; F8-I131 HydrophobicContact CE2-CD1 4.25Å; F8-I131 HydrophobicContact CE2-CG2 4.3Å; F8-I131 HydrophobicContact CG-CD1 4.08Å; F8-I131 HydrophobicContact CG-CG1 4.2Å; F8-I131 HydrophobicContact CG-CG2 3.8Å; F8-I131 HydrophobicContact CZ-CG2 4.3Å; F90-I131 HydrophobicContact CB-CD1 4.19Å; F90-I131 HydrophobicContact CD1-CD1 4.04Å; Y91-I131 WeakPolarHBondContact O-CB 3.47Å; Y91-I131 WeakPolarHBondContact O-CD1 3.5Å; Y91-I131 VanDerWaalsContact O-CG1 3.23Å; Y91-I131 WeakPolarHBondContact O-CG1 3.36Å; Y91-I131 PolarHBondContact O-N 2.8Å; V92-I131 WeakPolarHBondContact CA-O 3.3Å; V92-I131 HydrophobicContact CG1-CB 4.47Å; F93-I131 PolarHBondContact N-O 3.07Å; I131-F270 HydrophobicContact CB-CB 4.45Å; I131-F270 HydrophobicContact CG2-CB 3.96Å |
| 132 | P | 98 | Very high | 96 | Very high | 20 Ų | 20 | 45.9 Ų | 45.9 | 13% | 0.13 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -66.3 | 163.9 | 174.3 | 31.9 | -37.2 | 0 | 0 | 0 | 110.7 | F93 K95 N266 G269 F270 | F93-P132 WeakPolarHBondContact O-CA 3.33Å; K95-P132 HydrophobicContact CB-CB 4.45Å; P132-N266 VanDerWaalsContact CG-O 3.23Å; P132-N266 WeakPolarHBondContact CG-O 3.4Å; P132-G269 CarbonylContact O-C 3.59Å; P132-G269 VanDerWaalsContact O-CA 3.29Å; P132-G269 WeakPolarHBondContact O-CA 3.42Å; P132-F270 PolarHBondContact O-N 3.37Å |
| 133 | Y | 98.1 | Very high | 95.7 | Very high | 20 Ų | 20 | 46.7 Ų | 46.7 | 8% | 0.078 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -149.6 | 159.3 | 172.3 | 58.9 | -93.1 | 0 | 0 | 0 | 110.1 | L65 V92 P94 V268 Q299 F300 | L65-Y133 VanDerWaalsContact CD1-OH 3.23Å; L65-Y133 WeakPolarHBondContact CD1-OH 3.49Å; V92-Y133 HydrophobicContact CB-CD1 4.27Å; V92-Y133 HydrophobicContact CB-CE1 4.48Å; P94-Y133 HydrophobicContact CB-CE1 4.02Å; P94-Y133 HydrophobicContact CB-CE2 4.37Å; P94-Y133 WeakPolarHBondContact CB-OH 3.29Å; P94-Y133 HydrophobicContact CG-CE1 4.48Å; Y133-V268 WeakPolarHBondContact CA-O 3.49Å; Y133-Q299 WeakPolarHBondContact CD2-O 3.4Å; Y133-Q299 HydrophobicContact CE2-CB 3.89Å; Y133-Q299 HydrophobicContact CE2-CG 4.4Å; Y133-Q299 WeakPolarHBondContact CE2-O 3.31Å; Y133-Q299 PolarHBondContact OH-OE1 3.37Å; Y133-F300 HydrophobicContact CD1-CD1 4.33Å; Y133-F300 AromaticContact CD1-CE1 3.68Å; Y133-F300 HydrophobicContact CD1-CE1 3.68Å; Y133-F300 AromaticContact CD2-CD1 3.74Å; Y133-F300 HydrophobicContact CD2-CD1 3.74Å; Y133-F300 AromaticContact CD2-CE1 3.79Å; Y133-F300 HydrophobicContact CD2-CE1 3.79Å; Y133-F300 HydrophobicContact CE1-CE1 4.07Å; Y133-F300 HydrophobicContact CE2-CD1 4.41Å; Y133-F300 HydrophobicContact CE2-CE1 4.18Å; Y133-F300 AromaticContact CG-CD1 3.69Å; Y133-F300 HydrophobicContact CG-CD1 3.69Å; Y133-F300 AromaticContact CG-CE1 3.51Å; Y133-F300 HydrophobicContact CG-CE1 3.51Å |
| 134 | L | 97.1 | Very high | 95.4 | Very high | 21 Ų | 21 | 50.4 Ų | 50.4 | 11% | 0.11 | 26% | 0.257 | C | S | . | . | trans | -133.1 | 142.2 | 168.2 | -62.9 | 174 | 0 | 0 | 0 | 108 | E138 E139 L142 A267 V268 S271 | L134-E138 WeakPolarHBondContact CA-OE2 2.96Å; L134-E138 HydrophobicContact CB-CB 4.01Å; L134-E138 HydrophobicContact CD2-CB 4.06Å; L134-E139 HydrophobicContact CB-CB 4.42Å; L134-L142 HydrophobicContact CD1-CD2 3.57Å; L134-A267 HydrophobicContact CD1-CB 3.95Å; L134-V268 HydrophobicContact CD1-CG2 4.36Å; L134-S271 VanDerWaalsContact O-CB 3.28Å; L134-S271 WeakPolarHBondContact O-CB 3.38Å; L134-S271 PolarHBondContact O-OG 2.94Å | ||
| 135 | N | 95.8 | Very high | 94.8 | Very high | 17 Ų | 17 | 49.3 Ų | 49.3 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | trans | -74.4 | 176.7 | 167.8 | 71.5 | 41 | 0 | 0 | 0 | 110.8 | D137 E138 E139 Y301 | N135-D137 VanDerWaalsContact C-N 3.35Å; N135-D137 PolarHBondContact O-N 3.36Å; N135-D137 PolarHBondContact OD1-N 3.02Å; N135-D137 VanDerWaalsContact OD1-N 3.09Å; N135-E138 PolarHBondContact N-OE2 2.82Å; N135-E138 VanDerWaalsContact ND2-CD 3.27Å; N135-E138 PolarHBondContact ND2-OE2 2.95Å; N135-E138 PolarHBondContact O-N 3.49Å; N135-E138 WeakPolarHBondContact OD1-CB 3.37Å; N135-E138 VanDerWaalsContact OD1-CG 3.32Å; N135-E138 WeakPolarHBondContact OD1-CG 3.45Å; N135-E138 PolarHBondContact OD1-N 3.39Å; N135-E139 WeakPolarHBondContact O-CB 3.39Å; N135-E139 PolarHBondContact O-N 2.97Å; N135-Y301 WeakPolarHBondContact CB-O 3.38Å | ||
| 136 | Q | 94 | Very high | 94.2 | Very high | 96 Ų | 96 | 47.1 Ų | 47.1 | 45% | 0.449 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.3 | -41.2 | -174.9 | -174 | 173.8 | 5.6 | 0 | 0 | 112.8 | A140 Y301 | Q136-A140 WeakPolarHBondContact O-CB 3.4Å; Q136-A140 PolarHBondContact O-N 3.24Å; Q136-Y301 WeakPolarHBondContact CB-O 3.34Å; Q136-Y301 PolarHBondContact N-O 3.33Å; Q136-Y301 PolarHBondContact OE1-OH 2.86Å |
| 137 | D | 92.2 | Very high | 93.6 | Very high | 89 Ų | 89 | 52.6 Ų | 52.6 | 48% | 0.476 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -71.1 | -43.6 | -179.1 | -67.8 | -26.2 | 0 | 0 | 0 | 111.3 | N135 A140 Q141 | N135-D137 VanDerWaalsContact C-N 3.35Å; N135-D137 PolarHBondContact O-N 3.36Å; N135-D137 PolarHBondContact OD1-N 3.02Å; N135-D137 VanDerWaalsContact OD1-N 3.09Å; D137-A140 PolarHBondContact O-N 3.01Å; D137-Q141 WeakPolarHBondContact O-CB 3.4Å; D137-Q141 VanDerWaalsContact O-CG 3.24Å; D137-Q141 WeakPolarHBondContact O-CG 3.4Å; D137-Q141 PolarHBondContact O-N 3.1Å |
| 138 | E | 93.1 | Very high | 93 | Very high | 38 Ų | 38 | 53.1 Ų | 53.1 | 18% | 0.178 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 176.4 | -70.2 | 171.4 | 155.3 | 0 | 0 | 111.7 | L134 N135 L142 | L134-E138 WeakPolarHBondContact CA-OE2 2.96Å; L134-E138 HydrophobicContact CB-CB 4.01Å; L134-E138 HydrophobicContact CD2-CB 4.06Å; N135-E138 PolarHBondContact N-OE2 2.82Å; N135-E138 VanDerWaalsContact ND2-CD 3.27Å; N135-E138 PolarHBondContact ND2-OE2 2.95Å; N135-E138 PolarHBondContact O-N 3.49Å; N135-E138 WeakPolarHBondContact OD1-CB 3.37Å; N135-E138 VanDerWaalsContact OD1-CG 3.32Å; N135-E138 WeakPolarHBondContact OD1-CG 3.45Å; N135-E138 PolarHBondContact OD1-N 3.39Å; E138-L142 VanDerWaalsContact O-CB 3.29Å; E138-L142 WeakPolarHBondContact O-CB 3.41Å; E138-L142 PolarHBondContact O-N 3.1Å |
| 139 | E | 94.1 | Very high | 92.2 | Very high | 36 Ų | 36 | 57.2 Ų | 57.2 | 17% | 0.168 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.2 | -54.4 | 172.6 | 176.3 | 173.9 | -179.2 | 0 | 0 | 109.8 | L134 N135 Q141 L142 R143 V268 | L134-E139 HydrophobicContact CB-CB 4.42Å; N135-E139 WeakPolarHBondContact O-CB 3.39Å; N135-E139 PolarHBondContact O-N 2.97Å; E139-Q141 VanDerWaalsContact C-N 3.35Å; E139-Q141 PolarHBondContact O-N 2.89Å; E139-L142 PolarHBondContact O-N 3.21Å; E139-L142 VanDerWaalsContact O-N 3.09Å; E139-R143 HydrophobicContact CG-CG 4.13Å; E139-R143 WeakPolarHBondContact O-CG 3.47Å; E139-R143 PolarHBondContact O-N 2.91Å; E139-R143 IonicContact OE1-CZ 3.11Å; E139-R143 IonicContact OE1-NE 2.88Å; E139-R143 PolarHBondContact OE1-NE 2.82Å; E139-R143 IonicContact OE1-NH2 2.61Å; E139-R143 PolarHBondContact OE1-NH2 3.1Å; E139-V268 HydrophobicContact CB-CG2 4.19Å; E139-V268 VanDerWaalsContact CD-CG2 3.46Å; E139-V268 HydrophobicContact CG-CG2 3.63Å; E139-V268 WeakPolarHBondContact OE2-CG1 3.47Å |
| 140 | A | 93.1 | Very high | 91.1 | Very high | 54 Ų | 54 | 58.2 Ų | 58.2 | 45% | 0.446 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -55.7 | -48 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q136 D137 L142 R143 E144 | Q136-A140 WeakPolarHBondContact O-CB 3.4Å; Q136-A140 PolarHBondContact O-N 3.24Å; D137-A140 PolarHBondContact O-N 3.01Å; A140-L142 VanDerWaalsContact C-N 3.34Å; A140-L142 PolarHBondContact O-N 3.03Å; A140-R143 PolarHBondContact O-N 3.42Å; A140-E144 WeakPolarHBondContact O-CB 3.49Å; A140-E144 PolarHBondContact O-N 3.4Å |
| 141 | Q | 91.7 | Very high | 90.1 | Very high | 107 Ų | 107 | 62.3 Ų | 62.3 | 50% | 0.5 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 176.5 | -71.5 | 173 | 20.3 | 0 | 0 | 111.9 | D137 E139 E144 Q145 | D137-Q141 WeakPolarHBondContact O-CB 3.4Å; D137-Q141 VanDerWaalsContact O-CG 3.24Å; D137-Q141 WeakPolarHBondContact O-CG 3.4Å; D137-Q141 PolarHBondContact O-N 3.1Å; E139-Q141 VanDerWaalsContact C-N 3.35Å; E139-Q141 PolarHBondContact O-N 2.89Å; Q141-E144 PolarHBondContact O-N 2.84Å; Q141-Q145 WeakPolarHBondContact O-CB 3.14Å; Q141-Q145 WeakPolarHBondContact O-CG 2.98Å; Q141-Q145 PolarHBondContact O-N 2.79Å |
| 142 | L | 90.1 | Very high | 88.7 | Confident | 15 Ų | 15 | 67 Ų | 67 | 8% | 0.079 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.2 | -36.8 | 179.3 | -173.8 | 62.6 | 0 | 0 | 0 | 112 | F97 L134 E138 E139 A140 T146 L264 A267 | F97-L142 HydrophobicContact CD1-CD1 3.94Å; F97-L142 HydrophobicContact CD1-CD2 3.96Å; F97-L142 HydrophobicContact CE1-CD1 3.96Å; F97-L142 HydrophobicContact CE1-CD2 4.15Å; F97-L142 HydrophobicContact CG-CD2 4.33Å; L134-L142 HydrophobicContact CD1-CD2 3.57Å; E138-L142 VanDerWaalsContact O-CB 3.29Å; E138-L142 WeakPolarHBondContact O-CB 3.41Å; E138-L142 PolarHBondContact O-N 3.1Å; E139-L142 PolarHBondContact O-N 3.21Å; E139-L142 VanDerWaalsContact O-N 3.09Å; A140-L142 VanDerWaalsContact C-N 3.34Å; A140-L142 PolarHBondContact O-N 3.03Å; L142-T146 WeakPolarHBondContact O-CB 3.49Å; L142-T146 PolarHBondContact O-N 2.82Å; L142-T146 VanDerWaalsContact O-N 3.1Å; L142-T146 PolarHBondContact O-OG1 3.33Å; L142-L264 HydrophobicContact CB-CD1 4.23Å; L142-L264 HydrophobicContact CD2-CD1 3.58Å; L142-L264 HydrophobicContact CG-CD1 3.64Å; L142-A267 HydrophobicContact CD2-CB 3.96Å |
| 143 | R | 90.3 | Very high | 87.2 | Confident | 75 Ų | 75 | 70.7 Ų | 70.7 | 28% | 0.283 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64 | -48 | 174.2 | -58 | -153.5 | 172.3 | -91.3 | -2.2 | 110.5 | E139 A140 T146 E147 L264 N265 | E139-R143 HydrophobicContact CG-CG 4.13Å; E139-R143 WeakPolarHBondContact O-CG 3.47Å; E139-R143 PolarHBondContact O-N 2.91Å; E139-R143 IonicContact OE1-CZ 3.11Å; E139-R143 IonicContact OE1-NE 2.88Å; E139-R143 PolarHBondContact OE1-NE 2.82Å; E139-R143 IonicContact OE1-NH2 2.61Å; E139-R143 PolarHBondContact OE1-NH2 3.1Å; A140-R143 PolarHBondContact O-N 3.42Å; R143-T146 PolarHBondContact O-N 2.96Å; R143-E147 PolarHBondContact O-N 3.24Å; R143-L264 HydrophobicContact CG-CD1 4.27Å; R143-L264 HydrophobicContact CG-CD2 3.97Å; R143-L264 HydrophobicContact CG-CG 4.45Å; R143-N265 PolarHBondContact NH2-OD1 2.83Å |
| 144 | E | 90.8 | Very high | 85.3 | Confident | 119 Ų | 119 | 73.6 Ų | 73.6 | 56% | 0.556 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -60.3 | -50.2 | 178.6 | -176 | 175.9 | -154.2 | 0 | 0 | 111.6 | A140 Q141 T146 E147 E148 | A140-E144 WeakPolarHBondContact O-CB 3.49Å; A140-E144 PolarHBondContact O-N 3.4Å; Q141-E144 PolarHBondContact O-N 2.84Å; E144-T146 PolarHBondContact O-N 2.99Å; E144-E147 PolarHBondContact O-N 3.05Å; E144-E147 VanDerWaalsContact O-N 3.09Å; E144-E148 HydrophobicContact CG-CG 4.5Å; E144-E148 WeakPolarHBondContact O-CG 3.07Å; E144-E148 PolarHBondContact O-N 3.46Å |
| 145 | Q | 86.9 | Confident | 83.3 | Confident | 86 Ų | 86 | 78.4 Ų | 78.4 | 40% | 0.402 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.5 | -34.1 | 177.1 | -72.6 | 172.3 | 28.1 | 0 | 0 | 112.8 | Q141 R149 | Q141-Q145 WeakPolarHBondContact O-CB 3.14Å; Q141-Q145 WeakPolarHBondContact O-CG 2.98Å; Q141-Q145 PolarHBondContact O-N 2.79Å; Q145-R149 WeakPolarHBondContact O-CB 3.39Å; Q145-R149 VanDerWaalsContact O-CG 3.31Å; Q145-R149 WeakPolarHBondContact O-CG 3.47Å; Q145-R149 PolarHBondContact O-N 3.15Å |
| 146 | T | 84.6 | Confident | 81.2 | Confident | 9 Ų | 9 | 80.1 Ų | 80.1 | 6% | 0.055 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -71.1 | -40.9 | 177.6 | -60.2 | 0 | 0 | 0 | 0 | 110.8 | L142 R143 E144 R149 R150 E260 | L142-T146 WeakPolarHBondContact O-CB 3.49Å; L142-T146 PolarHBondContact O-N 2.82Å; L142-T146 VanDerWaalsContact O-N 3.1Å; L142-T146 PolarHBondContact O-OG1 3.33Å; R143-T146 PolarHBondContact O-N 2.96Å; E144-T146 PolarHBondContact O-N 2.99Å; T146-R149 PolarHBondContact O-N 3.25Å; T146-R150 PolarHBondContact O-N 2.92Å; T146-E260 VanDerWaalsContact CG2-CD 3.47Å; T146-E260 HydrophobicContact CG2-CG 3.74Å; T146-E260 WeakPolarHBondContact CG2-OE1 3.2Å |
| 147 | E | 85.6 | Confident | 78.7 | Confident | 114 Ų | 114 | 82.7 Ų | 82.7 | 53% | 0.533 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.4 | -41.8 | 174.9 | -173.7 | 157.7 | -158.1 | 0 | 0 | 112.7 | R143 E144 R149 R150 N151 | R143-E147 PolarHBondContact O-N 3.24Å; E144-E147 PolarHBondContact O-N 3.05Å; E144-E147 VanDerWaalsContact O-N 3.09Å; E147-R149 PolarHBondContact O-N 3.28Å; E147-R150 WeakPolarHBondContact O-CB 3.37Å; E147-R150 PolarHBondContact O-N 3.44Å; E147-R150 VanDerWaalsContact O-N 3.13Å; E147-N151 PolarHBondContact O-N 3.29Å |
| 148 | E | 85.4 | Confident | 76.2 | Confident | 98 Ų | 98 | 79.5 Ų | 79.5 | 46% | 0.458 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 173.6 | -73.5 | -171.5 | 155.3 | 0 | 0 | 112 | E144 R150 N151 Q152 | E144-E148 HydrophobicContact CG-CG 4.5Å; E144-E148 WeakPolarHBondContact O-CG 3.07Å; E144-E148 PolarHBondContact O-N 3.46Å; E148-R150 VanDerWaalsContact C-N 3.26Å; E148-R150 PolarHBondContact O-N 3.26Å; E148-N151 PolarHBondContact O-N 2.54Å; E148-Q152 VanDerWaalsContact O-CG 3.3Å; E148-Q152 WeakPolarHBondContact O-CG 3.29Å; E148-Q152 PolarHBondContact O-N 2.8Å |
| 149 | R | 80.1 | Confident | 73.6 | Confident | 118 Ų | 118 | 84.2 Ų | 84.2 | 45% | 0.445 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.4 | -37.7 | 174.5 | -77.4 | -172.5 | -60.7 | 177.6 | 3.6 | 111.4 | Q145 T146 E147 H153 | Q145-R149 WeakPolarHBondContact O-CB 3.39Å; Q145-R149 VanDerWaalsContact O-CG 3.31Å; Q145-R149 WeakPolarHBondContact O-CG 3.47Å; Q145-R149 PolarHBondContact O-N 3.15Å; T146-R149 PolarHBondContact O-N 3.25Å; E147-R149 PolarHBondContact O-N 3.28Å; R149-H153 VanDerWaalsContact O-CG 3.32Å; R149-H153 PolarHBondContact O-N 2.93Å; R149-H153 PolarHBondContact O-ND1 3.37Å |
| 150 | R | 75.9 | Confident | 71.2 | Confident | 90 Ų | 90 | 86.2 Ų | 86.2 | 34% | 0.34 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 174.8 | -174.1 | -178.7 | -64.6 | 156 | 6.4 | 111.4 | T146 E147 E148 Q152 H153 A154 E260 | T146-R150 PolarHBondContact O-N 2.92Å; E147-R150 WeakPolarHBondContact O-CB 3.37Å; E147-R150 PolarHBondContact O-N 3.44Å; E147-R150 VanDerWaalsContact O-N 3.13Å; E148-R150 VanDerWaalsContact C-N 3.26Å; E148-R150 PolarHBondContact O-N 3.26Å; R150-Q152 PolarHBondContact O-N 2.93Å; R150-H153 PolarHBondContact O-N 2.95Å; R150-A154 PolarHBondContact O-N 2.99Å; R150-E260 IonicContact CZ-OE2 3.73Å; R150-E260 IonicContact NE-OE2 3.17Å; R150-E260 IonicContact NH2-OE2 3.4Å; R150-E260 PolarHBondContact NH2-OE2 3.04Å |
| 151 | N | 76.5 | Confident | 68.5 | Low | 86 Ų | 86 | 89 Ų | 89 | 46% | 0.46 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.8 | -38.6 | 178.4 | -71.9 | -17.5 | 0 | 0 | 0 | 112.1 | E147 E148 H153 A154 N155 | E147-N151 PolarHBondContact O-N 3.29Å; E148-N151 PolarHBondContact O-N 2.54Å; N151-H153 VanDerWaalsContact C-N 3.35Å; N151-H153 PolarHBondContact O-N 2.75Å; N151-A154 PolarHBondContact O-N 2.78Å; N151-N155 WeakPolarHBondContact O-CB 3.47Å; N151-N155 PolarHBondContact O-N 3.4Å; N151-N155 PolarHBondContact O-ND2 3.14Å |
| 152 | Q | 70.4 | Confident | 66.1 | Low | 99 Ų | 99 | 89.1 Ų | 89.1 | 46% | 0.463 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65 | -37.1 | 173.9 | -70.6 | 174.1 | 22.6 | 0 | 0 | 112.5 | E148 R150 N155 G156 L157 | E148-Q152 VanDerWaalsContact O-CG 3.3Å; E148-Q152 WeakPolarHBondContact O-CG 3.29Å; E148-Q152 PolarHBondContact O-N 2.8Å; R150-Q152 PolarHBondContact O-N 2.93Å; Q152-N155 PolarHBondContact O-N 2.99Å; Q152-G156 PolarHBondContact O-N 2.74Å; Q152-G156 VanDerWaalsContact O-N 3.17Å; Q152-L157 PolarHBondContact O-N 2.83Å; Q152-L157 VanDerWaalsContact O-N 3.11Å |
| 153 | H | 64.6 | Low | 64.1 | Low | 97 Ų | 97 | 90.8 Ų | 90.8 | 45% | 0.449 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.4 | -39.6 | 173.5 | -72.5 | 128.2 | 0 | 0 | 0 | 112.3 | R149 R150 N151 N155 G156 | R149-H153 VanDerWaalsContact O-CG 3.32Å; R149-H153 PolarHBondContact O-N 2.93Å; R149-H153 PolarHBondContact O-ND1 3.37Å; R150-H153 PolarHBondContact O-N 2.95Å; N151-H153 VanDerWaalsContact C-N 3.35Å; N151-H153 PolarHBondContact O-N 2.75Å; H153-N155 VanDerWaalsContact C-N 3.27Å; H153-N155 PolarHBondContact O-N 2.82Å; H153-G156 PolarHBondContact O-N 2.81Å |
| 154 | A | 60.1 | Low | 61.8 | Low | 81 Ų | 81 | 88.8 Ų | 88.8 | 67% | 0.669 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.3 | -34.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R150 N151 | R150-A154 PolarHBondContact O-N 2.99Å; N151-A154 PolarHBondContact O-N 2.78Å |
| 155 | N | 53.2 | Low | 59.6 | Low | 123 Ų | 123 | 83.7 Ų | 83.7 | 66% | 0.658 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | 0.9 | 179 | -68.3 | -21.3 | 0 | 0 | 0 | 114.4 | N151 Q152 H153 L157 | N151-N155 WeakPolarHBondContact O-CB 3.47Å; N151-N155 PolarHBondContact O-N 3.4Å; N151-N155 PolarHBondContact O-ND2 3.14Å; Q152-N155 PolarHBondContact O-N 2.99Å; H153-N155 VanDerWaalsContact C-N 3.27Å; H153-N155 PolarHBondContact O-N 2.82Å; N155-L157 HydrophobicContact CB-CD1 4.49Å; N155-L157 PolarHBondContact O-N 2.97Å |
| 156 | G | 51.8 | Low | 57.4 | Low | 53 Ų | 53 | 83 Ų | 83 | 55% | 0.546 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 16.9 | 173 | 0 | 0 | 0 | 0 | 0 | 116.5 | Q152 H153 | Q152-G156 PolarHBondContact O-N 2.74Å; Q152-G156 VanDerWaalsContact O-N 3.17Å; H153-G156 PolarHBondContact O-N 2.81Å |
| 157 | L | 42.4 | Very low | 55.5 | Low | 150 Ų | 150 | 86.9 Ų | 86.9 | 79% | 0.785 | 49% | 0.492 | S | S | * | . | trans | -104.5 | -1.9 | -176.6 | -87.2 | 119 | 0 | 0 | 0 | 115 | Q152 N155 | Q152-L157 PolarHBondContact O-N 2.83Å; Q152-L157 VanDerWaalsContact O-N 3.11Å; N155-L157 HydrophobicContact CB-CD1 4.49Å; N155-L157 PolarHBondContact O-N 2.97Å | ||
| 158 | G | 39.3 | Very low | 53.6 | Low | 22 Ų | 22 | 84 Ų | 84 | 23% | 0.227 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -83.1 | 152.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 159 | T | 37.9 | Very low | 51.8 | Low | 136 Ų | 136 | 87.9 Ų | 87.9 | 83% | 0.834 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -72.5 | 123.5 | 173.8 | -47.8 | 0 | 0 | 0 | 0 | 109.4 | ||
| 160 | P | 44 | Very low | 50.6 | Low | 78 Ų | 78 | 87.4 Ų | 87.4 | 51% | 0.506 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -101.3 | 120.1 | -149.4 | 8.5 | 11.7 | 0 | 0 | 0 | 113.1 | I163 | P160-I163 HydrophobicContact CB-CD1 3.54Å; P160-I163 HydrophobicContact CB-CG1 3.5Å; P160-I163 VanDerWaalsContact CB-CG1 3.5Å; P160-I163 HydrophobicContact CG-CD1 3.82Å; P160-I163 HydrophobicContact CG-CG1 4.33Å |
| 161 | S | 37.3 | Very low | 49.9 | Very low | 112 Ų | 112 | 87.1 Ų | 87.1 | 78% | 0.783 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -103.2 | -9.7 | 158.2 | -62.7 | 0 | 0 | 0 | 0 | 112.9 | ||
| 162 | F | 41.9 | Very low | 49.3 | Very low | 111 Ų | 111 | 84.7 Ų | 84.7 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | trans | -142.8 | 100.6 | 179.9 | -103.4 | -98.9 | 0 | 0 | 0 | 108.6 | K256 | F162-K256 HydrophobicContact CD1-CD 4.26Å; F162-K256 HydrophobicContact CE1-CD 4.31Å | ||
| 163 | I | 46.9 | Very low | 49.7 | Very low | 49 Ų | 49 | 87.5 Ų | 87.5 | 25% | 0.251 | 53% | 0.525 | S | S | . | . | B | Isolated β-bridge | trans | -112.6 | 106.8 | 165.3 | -58.8 | 178 | 0 | 0 | 0 | 106.7 | P160 Y214 | P160-I163 HydrophobicContact CB-CD1 3.54Å; P160-I163 HydrophobicContact CB-CG1 3.5Å; P160-I163 VanDerWaalsContact CB-CG1 3.5Å; P160-I163 HydrophobicContact CG-CD1 3.82Å; P160-I163 HydrophobicContact CG-CG1 4.33Å; I163-Y214 HydrophobicContact CB-CD1 4.46Å; I163-Y214 HydrophobicContact CD1-CD1 4.4Å |
| 164 | S | 42.3 | Very low | 50.5 | Low | 33 Ų | 33 | 84 Ų | 84 | 23% | 0.231 | 51% | 0.51 | C | S | . | . | trans | -70.1 | 132.1 | 143.5 | -69.1 | 0 | 0 | 0 | 0 | 106.1 | S166 | S164-S166 PolarHBondContact O-N 2.74Š| ||
| 165 | P | 44.4 | Very low | 51.7 | Low | 13 Ų | 13 | 81.8 Ų | 81.8 | 8% | 0.084 | 49% | 0.489 | C | S | . | . | trans | -57.2 | 100.3 | -168.6 | 20.6 | -31.6 | 0 | 0 | 0 | 111.6 | L225 | P165-L225 WeakPolarHBondContact CD-O 3.42Š| ||
| 166 | S | 41.6 | Very low | 53.3 | Low | 71 Ų | 71 | 81.5 Ų | 81.5 | 50% | 0.497 | 49% | 0.487 | S | S | . | . | trans | -75.3 | 132.3 | 170.3 | 60.7 | 0 | 0 | 0 | 0 | 108.3 | S164 S168 | S164-S166 PolarHBondContact O-N 2.74Å; S166-S168 VanDerWaalsContact C-N 3.33Å; S166-S168 PolarHBondContact O-N 2.91Å | ||
| 167 | S | 45 | Very low | 54.9 | Low | 90 Ų | 90 | 87.1 Ų | 87.1 | 63% | 0.629 | 50% | 0.499 | S | S | * | . | trans | -63.7 | 78.2 | -173.3 | 59.1 | 0 | 0 | 0 | 0 | 113.6 | K169 | S167-K169 PolarHBondContact O-N 2.87Å; S167-K169 VanDerWaalsContact O-N 3.16Å | ||
| 168 | S | 43.9 | Very low | 57.1 | Low | 54 Ų | 54 | 81.8 Ų | 81.8 | 38% | 0.378 | 47% | 0.47 | S | S | . | . | trans | -69.5 | 106 | 162.7 | 57.2 | 0 | 0 | 0 | 0 | 108 | S166 V170 W219 | S166-S168 VanDerWaalsContact C-N 3.33Å; S166-S168 PolarHBondContact O-N 2.91Å; S168-V170 PolarHBondContact O-N 3.38Å; S168-W219 VanDerWaalsContact O-CE3 3.27Å | ||
| 169 | K | 48.8 | Very low | 59.4 | Low | 179 Ų | 179 | 85 Ų | 85 | 78% | 0.778 | 48% | 0.478 | S | S | * | . | trans | -71.6 | 12.6 | -175.2 | -67.1 | -174.1 | 179.2 | 178.9 | 0 | 115.1 | S167 W219 | S167-K169 PolarHBondContact O-N 2.87Å; S167-K169 VanDerWaalsContact O-N 3.16Å; K169-W219 WeakPolarHBondContact O-CZ3 3.47Å | ||
| 170 | V | 54.3 | Low | 61.8 | Low | 108 Ų | 108 | 84 Ų | 84 | 66% | 0.655 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -120.6 | 129.3 | -174.9 | -173.3 | 0 | 0 | 0 | 0 | 109.5 | S168 A172 | S168-V170 PolarHBondContact O-N 3.38Å; V170-A172 PolarHBondContact O-N 3.33Å |
| 171 | P | 61.2 | Low | 64 | Low | 85 Ų | 85 | 83.3 Ų | 83.3 | 55% | 0.552 | 46% | 0.457 | S | S | * | . | trans | -58.6 | 120.2 | 172.4 | -20 | 30.7 | 0 | 0 | 0 | 110.2 | H173 W219 | P171-H173 PolarHBondContact O-N 3.14Å; P171-W219 HydrophobicContact CG-CZ2 4Å | ||
| 172 | A | 64.9 | Low | 66.5 | Low | 34 Ų | 34 | 78.2 Ų | 78.2 | 28% | 0.281 | 42% | 0.421 | S | S | . | . | trans | -65.7 | 130.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | V170 V174 Q215 | V170-A172 PolarHBondContact O-N 3.33Å; A172-V174 PolarHBondContact O-N 2.83Å; A172-V174 VanDerWaalsContact O-N 3.1Å; A172-Q215 HydrophobicContact CB-CB 3.91Å | ||
| 173 | H | 77.1 | Confident | 68.8 | Low | 159 Ų | 159 | 76.7 Ų | 76.7 | 74% | 0.736 | 42% | 0.418 | S | S | * | . | trans | -69.8 | 106.4 | 175.2 | 178.7 | -80.4 | 0 | 0 | 0 | 109.7 | P171 | P171-H173 PolarHBondContact O-N 3.14Š| ||
| 174 | V | 81.3 | Confident | 70.9 | Confident | 22 Ų | 22 | 80.8 Ų | 80.8 | 13% | 0.133 | 43% | 0.434 | C | S | . | . | trans | -88.7 | 119.8 | 173.7 | -176.4 | 0 | 0 | 0 | 0 | 108.4 | A172 Q178 K179 I182 | A172-V174 PolarHBondContact O-N 2.83Å; A172-V174 VanDerWaalsContact O-N 3.1Å; V174-Q178 HydrophobicContact CG1-CB 4.12Å; V174-K179 HydrophobicContact CB-CG 4.3Å; V174-K179 HydrophobicContact CG1-CG 4.05Å; V174-K179 WeakPolarHBondContact O-CE 3.47Å; V174-I182 HydrophobicContact CG1-CB 4.31Å; V174-I182 HydrophobicContact CG1-CG1 3.94Å | ||
| 175 | P | 87.3 | Confident | 73.2 | Confident | 35 Ų | 35 | 79.6 Ų | 79.6 | 23% | 0.227 | 43% | 0.425 | C | S | . | . | trans | -56.2 | 146.2 | 175 | -22.7 | 32.8 | 0 | 0 | 0 | 111.7 | E177 Q178 K179 F208 | P175-E177 PolarHBondContact O-N 3.19Å; P175-E177 VanDerWaalsContact O-N 3.16Å; P175-Q178 PolarHBondContact O-N 2.97Å; P175-K179 PolarHBondContact O-N 3.37Å; P175-F208 HydrophobicContact CG-CE1 4.25Å; P175-F208 HydrophobicContact CG-CZ 3.98Å | ||
| 176 | D | 84.8 | Confident | 75.3 | Confident | 118 Ų | 118 | 79.3 Ų | 79.3 | 63% | 0.631 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -54.7 | -39.2 | -174.5 | -68 | -38.9 | 0 | 0 | 0 | 113 | Q178 K179 | D176-Q178 PolarHBondContact O-N 3.35Å; D176-K179 PolarHBondContact O-N 3.29Å; D176-K179 WeakPolarHBondContact OD1-CE 3.41Å; D176-K179 IonicContact OD1-NZ 2.84Å; D176-K179 PolarHBondContact OD1-NZ 3.44Å |
| 177 | E | 87.3 | Confident | 77.7 | Confident | 171 Ų | 171 | 81 Ų | 81 | 80% | 0.799 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61 | -24.5 | 177.4 | -62.2 | 156.8 | -169.1 | 0 | 0 | 114.1 | P175 | P175-E177 PolarHBondContact O-N 3.19Å; P175-E177 VanDerWaalsContact O-N 3.16Å |
| 178 | Q | 87.9 | Confident | 79.8 | Confident | 37 Ų | 37 | 79.9 Ų | 79.9 | 17% | 0.173 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -107.9 | -4.3 | -178.1 | -61.7 | -61.3 | -43.2 | 0 | 0 | 112.8 | V174 P175 D176 D180 F181 I182 F208 Q209 L212 | V174-Q178 HydrophobicContact CG1-CB 4.12Å; P175-Q178 PolarHBondContact O-N 2.97Å; D176-Q178 PolarHBondContact O-N 3.35Å; Q178-D180 PolarHBondContact O-N 3.49Å; Q178-F181 PolarHBondContact O-N 2.91Å; Q178-I182 WeakPolarHBondContact O-CG1 3.35Å; Q178-I182 PolarHBondContact O-N 3.38Å; Q178-F208 HydrophobicContact CG-CD1 4.49Å; Q178-F208 HydrophobicContact CG-CE1 4.11Å; Q178-Q209 VanDerWaalsContact OE1-CG 3.23Å; Q178-L212 HydrophobicContact CB-CD1 3.89Å; Q178-L212 HydrophobicContact CG-CD1 4.08Å |
| 179 | K | 87.3 | Confident | 81.9 | Confident | 89 Ų | 89 | 77.3 Ų | 77.3 | 39% | 0.387 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.2 | -48 | -179.3 | -81.5 | -178.3 | 179.4 | 166.6 | 0 | 111.7 | V174 P175 D176 F181 I182 N183 | V174-K179 HydrophobicContact CB-CG 4.3Å; V174-K179 HydrophobicContact CG1-CG 4.05Å; V174-K179 WeakPolarHBondContact O-CE 3.47Å; P175-K179 PolarHBondContact O-N 3.37Å; D176-K179 PolarHBondContact O-N 3.29Å; D176-K179 WeakPolarHBondContact OD1-CE 3.41Å; D176-K179 IonicContact OD1-NZ 2.84Å; D176-K179 PolarHBondContact OD1-NZ 3.44Å; K179-F181 VanDerWaalsContact C-N 3.3Å; K179-F181 PolarHBondContact O-N 3.03Å; K179-I182 PolarHBondContact O-N 2.78Å; K179-N183 VanDerWaalsContact O-CB 3.32Å; K179-N183 WeakPolarHBondContact O-CB 3.46Å; K179-N183 PolarHBondContact O-N 3.29Å; K179-N183 PolarHBondContact O-ND2 2.86Å |
| 180 | D | 89.5 | Confident | 83.8 | Confident | 116 Ų | 116 | 72.8 Ų | 72.8 | 62% | 0.62 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.1 | -39.3 | -179.6 | -70 | -14.4 | 0 | 0 | 0 | 112.3 | Q178 K184 | Q178-D180 PolarHBondContact O-N 3.49Å; D180-K184 VanDerWaalsContact O-CG 3.28Å; D180-K184 WeakPolarHBondContact O-CG 3.37Å; D180-K184 PolarHBondContact O-N 2.79Å |
| 181 | F | 90.3 | Very high | 85.4 | Confident | 63 Ų | 63 | 75.3 Ų | 75.3 | 28% | 0.276 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.3 | -49.7 | 176.7 | 173.3 | -96.4 | 0 | 0 | 0 | 111.3 | Q178 K179 N183 K184 V185 C205 Q209 I213 | Q178-F181 PolarHBondContact O-N 2.91Å; K179-F181 VanDerWaalsContact C-N 3.3Å; K179-F181 PolarHBondContact O-N 3.03Å; F181-N183 PolarHBondContact O-N 3.11Å; F181-K184 PolarHBondContact O-N 2.88Å; F181-V185 HydrophobicContact CE1-CG2 4.12Å; F181-V185 HydrophobicContact CZ-CG2 4.09Å; F181-V185 WeakPolarHBondContact O-CG2 3.42Å; F181-V185 PolarHBondContact O-N 3.11Å; F181-V185 VanDerWaalsContact O-N 3.08Å; F181-C205 HydrophobicContact CZ-CB 4.03Å; F181-Q209 HydrophobicContact CD1-CB 4.4Å; F181-Q209 HydrophobicContact CD1-CG 4Å; F181-Q209 HydrophobicContact CE1-CB 3.73Å; F181-Q209 HydrophobicContact CE1-CG 3.79Å; F181-Q209 HydrophobicContact CZ-CB 4.24Å; F181-Q209 HydrophobicContact CZ-CG 4.34Å; F181-I213 HydrophobicContact CE1-CD1 3.85Å; F181-I213 HydrophobicContact CE1-CG1 4.22Å; F181-I213 HydrophobicContact CZ-CD1 4.1Å |
| 182 | I | 89.1 | Confident | 86.6 | Confident | 5 Ų | 5 | 71.4 Ų | 71.4 | 3% | 0.026 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.4 | -39.2 | 179.5 | -66.3 | -62.3 | 0 | 0 | 0 | 111.3 | V174 Q178 K179 K184 V185 V186 L212 I213 T216 | V174-I182 HydrophobicContact CG1-CB 4.31Å; V174-I182 HydrophobicContact CG1-CG1 3.94Å; Q178-I182 WeakPolarHBondContact O-CG1 3.35Å; Q178-I182 PolarHBondContact O-N 3.38Å; K179-I182 PolarHBondContact O-N 2.78Å; I182-K184 PolarHBondContact O-N 2.96Å; I182-V185 WeakPolarHBondContact O-CB 3.46Å; I182-V185 PolarHBondContact O-N 2.95Å; I182-V185 VanDerWaalsContact O-N 3.13Å; I182-V186 HydrophobicContact CG2-CG2 4.32Å; I182-V186 WeakPolarHBondContact O-CG2 3.26Å; I182-V186 PolarHBondContact O-N 3.16Å; I182-L212 HydrophobicContact CD1-CB 3.69Å; I182-L212 HydrophobicContact CG1-CB 4.22Å; I182-I213 HydrophobicContact CD1-CG1 3.73Å; I182-T216 HydrophobicContact CG2-CG2 3.67Å |
| 183 | N | 90.4 | Very high | 87.4 | Confident | 80 Ų | 80 | 73.6 Ų | 73.6 | 43% | 0.428 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 175.4 | -72.5 | -20.4 | 0 | 0 | 0 | 111.4 | K179 F181 V185 V186 E187 | K179-N183 VanDerWaalsContact O-CB 3.32Å; K179-N183 WeakPolarHBondContact O-CB 3.46Å; K179-N183 PolarHBondContact O-N 3.29Å; K179-N183 PolarHBondContact O-ND2 2.86Å; F181-N183 PolarHBondContact O-N 3.11Å; N183-V185 VanDerWaalsContact C-N 3.29Å; N183-V185 PolarHBondContact O-N 2.8Å; N183-V186 PolarHBondContact O-N 3.26Å; N183-E187 WeakPolarHBondContact O-CG 3.5Å; N183-E187 PolarHBondContact O-N 3.29Å |
| 184 | K | 91.4 | Very high | 87.6 | Confident | 134 Ų | 134 | 73 Ų | 73 | 58% | 0.583 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59.8 | -38.3 | 173.5 | -74.3 | 171.5 | -177.1 | 176.2 | 0 | 112.6 | D180 F181 I182 K188 | D180-K184 VanDerWaalsContact O-CG 3.28Å; D180-K184 WeakPolarHBondContact O-CG 3.37Å; D180-K184 PolarHBondContact O-N 2.79Å; F181-K184 PolarHBondContact O-N 2.88Å; I182-K184 PolarHBondContact O-N 2.96Å; K184-K188 WeakPolarHBondContact O-CG 3.23Å; K184-K188 PolarHBondContact O-N 3.41Å; K184-K188 VanDerWaalsContact O-N 3.09Å |
| 185 | V | 90.1 | Very high | 87.6 | Confident | 9 Ų | 9 | 73.3 Ų | 73.3 | 6% | 0.055 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.1 | -46.1 | 175.3 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | F181 I182 N183 E187 K188 V189 L202 I213 | F181-V185 HydrophobicContact CE1-CG2 4.12Å; F181-V185 HydrophobicContact CZ-CG2 4.09Å; F181-V185 WeakPolarHBondContact O-CG2 3.42Å; F181-V185 PolarHBondContact O-N 3.11Å; F181-V185 VanDerWaalsContact O-N 3.08Å; I182-V185 WeakPolarHBondContact O-CB 3.46Å; I182-V185 PolarHBondContact O-N 2.95Å; I182-V185 VanDerWaalsContact O-N 3.13Å; N183-V185 VanDerWaalsContact C-N 3.29Å; N183-V185 PolarHBondContact O-N 2.8Å; V185-E187 VanDerWaalsContact C-N 3.34Å; V185-E187 PolarHBondContact O-N 3.12Å; V185-K188 PolarHBondContact O-N 3.18Å; V185-V189 WeakPolarHBondContact O-CG2 3.44Å; V185-V189 PolarHBondContact O-N 3.2Å; V185-L202 HydrophobicContact CG1-CD1 3.63Å; V185-L202 HydrophobicContact CG1-CD2 4.21Å; V185-L202 HydrophobicContact CG2-CD1 4.27Å; V185-I213 HydrophobicContact CG1-CG1 4.27Å; V185-I213 HydrophobicContact CG1-CG2 4.29Å; V185-I213 HydrophobicContact CG2-CD1 4.28Å; V185-I213 HydrophobicContact CG2-CG1 4.42Å |
| 186 | V | 89.1 | Confident | 87.2 | Confident | 6 Ų | 6 | 79.8 Ų | 79.8 | 4% | 0.036 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59.6 | -44.6 | 177.1 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | I182 N183 K188 V189 E190 T216 K220 F221 | I182-V186 HydrophobicContact CG2-CG2 4.32Å; I182-V186 WeakPolarHBondContact O-CG2 3.26Å; I182-V186 PolarHBondContact O-N 3.16Å; N183-V186 PolarHBondContact O-N 3.26Å; V186-K188 VanDerWaalsContact C-N 3.34Å; V186-K188 PolarHBondContact O-N 3.37Å; V186-V189 CarbonylContact O-C 3.53Å; V186-V189 WeakPolarHBondContact O-CA 3.41Å; V186-V189 WeakPolarHBondContact O-CB 3.45Å; V186-V189 PolarHBondContact O-N 3.01Å; V186-E190 HydrophobicContact CG1-CG 4.3Å; V186-E190 WeakPolarHBondContact CG1-OE1 3.44Å; V186-E190 WeakPolarHBondContact O-CG 3.23Å; V186-E190 PolarHBondContact O-N 2.61Å; V186-T216 HydrophobicContact CG2-CG2 3.94Å; V186-K220 HydrophobicContact CG1-CD 3.93Å; V186-K220 HydrophobicContact CG2-CD 3.86Å; V186-F221 HydrophobicContact CG1-CE2 4.31Å; V186-F221 HydrophobicContact CG1-CZ 4.44Å |
| 187 | E | 90.4 | Very high | 86.9 | Confident | 108 Ų | 108 | 80.3 Ų | 80.3 | 51% | 0.505 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.8 | -39.2 | 175.4 | -76 | 176.3 | -174.1 | 0 | 0 | 112.9 | N183 V185 V189 R191 | N183-E187 WeakPolarHBondContact O-CG 3.5Å; N183-E187 PolarHBondContact O-N 3.29Å; V185-E187 VanDerWaalsContact C-N 3.34Å; V185-E187 PolarHBondContact O-N 3.12Å; E187-V189 VanDerWaalsContact C-N 3.31Å; E187-R191 WeakPolarHBondContact O-CB 3.35Å; E187-R191 WeakPolarHBondContact O-CG 3.21Å; E187-R191 PolarHBondContact O-N 3.06Å; E187-R191 PolarHBondContact O-NE 2.93Å |
| 188 | K | 89.8 | Confident | 86.6 | Confident | 66 Ų | 66 | 80.2 Ų | 80.2 | 29% | 0.287 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 173.7 | -72.6 | 179.3 | 177.6 | -173.4 | 0 | 110.8 | K184 V185 V186 L192 L200 L202 D203 | K184-K188 WeakPolarHBondContact O-CG 3.23Å; K184-K188 PolarHBondContact O-N 3.41Å; K184-K188 VanDerWaalsContact O-N 3.09Å; V185-K188 PolarHBondContact O-N 3.18Å; V186-K188 VanDerWaalsContact C-N 3.34Å; V186-K188 PolarHBondContact O-N 3.37Å; K188-L192 PolarHBondContact O-N 3.36Å; K188-L200 HydrophobicContact CB-CD1 4.33Å; K188-L200 HydrophobicContact CB-CD2 3.69Å; K188-L202 HydrophobicContact CD-CD2 4.18Å; K188-D203 IonicContact NZ-OD2 3.32Å; K188-D203 PolarHBondContact NZ-OD2 3.47Å |
| 189 | V | 87.9 | Confident | 86.7 | Confident | 0 Ų | 0 | 81.8 Ų | 81.8 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -72.2 | -38.5 | 178.5 | 174.8 | 0 | 0 | 0 | 0 | 112.6 | V185 V186 E187 R191 L192 F193 L200 L217 F221 L225 I241 | V185-V189 WeakPolarHBondContact O-CG2 3.44Å; V185-V189 PolarHBondContact O-N 3.2Å; V186-V189 CarbonylContact O-C 3.53Å; V186-V189 WeakPolarHBondContact O-CA 3.41Å; V186-V189 WeakPolarHBondContact O-CB 3.45Å; V186-V189 PolarHBondContact O-N 3.01Å; E187-V189 VanDerWaalsContact C-N 3.31Å; V189-R191 VanDerWaalsContact C-N 3.35Å; V189-L192 WeakPolarHBondContact O-CB 3.44Å; V189-L192 PolarHBondContact O-N 3.3Å; V189-F193 PolarHBondContact O-N 2.92Å; V189-L200 HydrophobicContact CG2-CD2 3.95Å; V189-L217 HydrophobicContact CB-CD2 4.41Å; V189-L217 HydrophobicContact CG1-CD2 4.28Å; V189-L217 HydrophobicContact CG2-CD2 4.01Å; V189-F221 HydrophobicContact CB-CE2 4.38Å; V189-F221 HydrophobicContact CG1-CD2 4.02Å; V189-F221 HydrophobicContact CG1-CE1 4.41Å; V189-F221 HydrophobicContact CG1-CE2 3.8Å; V189-F221 HydrophobicContact CG1-CG 4.43Å; V189-F221 HydrophobicContact CG1-CZ 4.02Å; V189-L225 HydrophobicContact CG1-CD1 3.41Å; V189-L225 VanDerWaalsContact CG1-CD1 3.41Å; V189-L225 HydrophobicContact CG1-CD2 4.46Å; V189-I241 HydrophobicContact CG2-CD1 3.42Å; V189-I241 VanDerWaalsContact CG2-CD1 3.42Å; V189-I241 HydrophobicContact CG2-CG2 4.44Å |
| 190 | E | 88.4 | Confident | 86.8 | Confident | 84 Ų | 84 | 78.7 Ų | 78.7 | 39% | 0.393 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65 | -40.8 | 173.7 | -71.4 | 177 | 179.8 | 0 | 0 | 111 | V186 L192 F193 N194 F221 | V186-E190 HydrophobicContact CG1-CG 4.3Å; V186-E190 WeakPolarHBondContact CG1-OE1 3.44Å; V186-E190 WeakPolarHBondContact O-CG 3.23Å; V186-E190 PolarHBondContact O-N 2.61Å; E190-L192 VanDerWaalsContact C-N 3.33Å; E190-F193 WeakPolarHBondContact O-CB 3.16Å; E190-F193 PolarHBondContact O-N 3.39Å; E190-N194 PolarHBondContact O-N 2.99Å; E190-N194 PolarHBondContact O-ND2 2.85Å; E190-F221 HydrophobicContact CG-CE1 4.29Å; E190-F221 HydrophobicContact CG-CZ 3.72Å |
| 191 | R | 88.1 | Confident | 86.8 | Confident | 161 Ų | 161 | 77.3 Ų | 77.3 | 61% | 0.608 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -61.8 | -40.5 | 171.2 | -81.2 | -172.9 | -73.9 | 178.2 | -8.9 | 112.4 | E187 V189 N194 G195 | E187-R191 WeakPolarHBondContact O-CB 3.35Å; E187-R191 WeakPolarHBondContact O-CG 3.21Å; E187-R191 PolarHBondContact O-N 3.06Å; E187-R191 PolarHBondContact O-NE 2.93Å; V189-R191 VanDerWaalsContact C-N 3.35Å; R191-N194 PolarHBondContact O-N 3.41Å; R191-G195 PolarHBondContact O-N 3.1Å |
| 192 | L | 86.3 | Confident | 86.8 | Confident | 3 Ų | 3 | 74.7 Ų | 74.7 | 2% | 0.016 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -55.6 | -57.3 | 171.4 | 179.7 | 69 | 0 | 0 | 0 | 108.2 | K188 V189 E190 N194 G195 E197 L200 L225 I241 K243 | K188-L192 PolarHBondContact O-N 3.36Å; V189-L192 WeakPolarHBondContact O-CB 3.44Å; V189-L192 PolarHBondContact O-N 3.3Å; E190-L192 VanDerWaalsContact C-N 3.33Å; L192-N194 VanDerWaalsContact C-N 3.31Å; L192-N194 PolarHBondContact O-N 3.37Å; L192-G195 PolarHBondContact O-N 3.33Å; L192-E197 HydrophobicContact CD1-CB 3.8Å; L192-E197 WeakPolarHBondContact CD1-O 3.15Å; L192-L200 HydrophobicContact CD1-CB 4.27Å; L192-L200 HydrophobicContact CD2-CB 3.87Å; L192-L200 HydrophobicContact CG-CB 4.44Å; L192-L225 HydrophobicContact CD2-CD2 4.42Å; L192-I241 HydrophobicContact CD2-CG2 4.02Å; L192-K243 HydrophobicContact CD2-CG 4.19Å; L192-K243 HydrophobicContact CG-CG 4.05Å; L192-K243 WeakPolarHBondContact O-CE 3.46Å; L192-K243 PolarHBondContact O-NZ 2.76Å |
| 193 | F | 81.2 | Confident | 86.7 | Confident | 79 Ų | 79 | 79.8 Ų | 79.8 | 35% | 0.346 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -49 | -45.6 | -179.5 | -113.2 | -77.3 | 0 | 0 | 0 | 114.3 | V189 E190 F221 L225 K243 | V189-F193 PolarHBondContact O-N 2.92Å; E190-F193 WeakPolarHBondContact O-CB 3.16Å; E190-F193 PolarHBondContact O-N 3.39Å; F193-F221 AromaticContact CD2-CD1 3.96Å; F193-F221 HydrophobicContact CD2-CD1 3.96Å; F193-F221 HydrophobicContact CD2-CE1 4.06Å; F193-F221 AromaticContact CE2-CD1 3.63Å; F193-F221 HydrophobicContact CE2-CD1 3.63Å; F193-F221 HydrophobicContact CE2-CE1 4.2Å; F193-F221 HydrophobicContact CE2-CG 4.4Å; F193-L225 HydrophobicContact CD2-CD1 4.42Å; F193-L225 HydrophobicContact CD2-CD2 4.08Å; F193-L225 HydrophobicContact CD2-CG 4.35Å; F193-L225 HydrophobicContact CE2-CD1 3.88Å; F193-L225 HydrophobicContact CE2-CD2 3.68Å; F193-L225 HydrophobicContact CE2-CG 3.57Å; F193-L225 HydrophobicContact CZ-CD2 4.48Å; F193-L225 HydrophobicContact CZ-CG 4.33Å; F193-K243 VanDerWaalsContact C-NZ 3.33Å; F193-K243 PolarHBondContact O-NZ 2.96Å |
| 194 | N | 82.6 | Confident | 86.5 | Confident | 146 Ų | 146 | 79.6 Ų | 79.6 | 78% | 0.781 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -85.1 | -14.7 | -177.3 | -64.1 | -24.6 | 0 | 0 | 0 | 113.9 | E190 R191 L192 | E190-N194 PolarHBondContact O-N 2.99Å; E190-N194 PolarHBondContact O-ND2 2.85Å; R191-N194 PolarHBondContact O-N 3.41Å; L192-N194 VanDerWaalsContact C-N 3.31Å; L192-N194 PolarHBondContact O-N 3.37Å |
| 195 | G | 81 | Confident | 86.3 | Confident | 30 Ų | 30 | 74 Ų | 74 | 31% | 0.309 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -92.3 | 175.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R191 L192 K243 | R191-G195 PolarHBondContact O-N 3.1Å; L192-G195 PolarHBondContact O-N 3.33Å; G195-K243 PolarHBondContact O-NZ 3.43Å |
| 196 | N | 77.6 | Confident | 86.2 | Confident | 170 Ų | 170 | 77.3 Ų | 77.3 | 91% | 0.909 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -85.8 | -6.2 | 175.1 | -74.3 | -12.6 | 0 | 0 | 0 | 113.6 | ||
| 197 | E | 79.9 | Confident | 85.9 | Confident | 130 Ų | 130 | 79.6 Ų | 79.6 | 61% | 0.607 | 42% | 0.419 | S | S | * | . | trans | -68.5 | 138.8 | 177.8 | -70.4 | -178.9 | 178.8 | 0 | 0 | 111 | L192 K243 | L192-E197 HydrophobicContact CD1-CB 3.8Å; L192-E197 WeakPolarHBondContact CD1-O 3.15Å; E197-K243 VanDerWaalsContact O-CE 3.26Å; E197-K243 WeakPolarHBondContact O-CE 3.39Å | ||
| 198 | K | 81.5 | Confident | 85.7 | Confident | 168 Ų | 168 | 79.6 Ų | 79.6 | 73% | 0.73 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -91.8 | -23.6 | -179.6 | -65.6 | -172.7 | 178.4 | -175.4 | 0 | 113.1 | S242 K243 | K198-S242 WeakPolarHBondContact O-CA 3.48Å; K198-K243 PolarHBondContact O-N 2.77Å |
| 199 | T | 88.1 | Confident | 85.5 | Confident | 70 Ų | 70 | 78 Ų | 78 | 43% | 0.429 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 144 | -172 | 56.1 | 0 | 0 | 0 | 0 | 111.4 | I241 | T199-I241 CarbonylContact C-O 3.47Å; T199-I241 VanDerWaalsContact CA-O 3.31Å; T199-I241 WeakPolarHBondContact CA-O 3.38Å |
| 200 | L | 89.6 | Confident | 85.5 | Confident | 24 Ų | 24 | 80.2 Ų | 80.2 | 13% | 0.126 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 123.2 | 175.4 | 170.4 | 68.8 | 0 | 0 | 0 | 109.1 | K188 V189 L192 L202 Q240 I241 | K188-L200 HydrophobicContact CB-CD1 4.33Å; K188-L200 HydrophobicContact CB-CD2 3.69Å; V189-L200 HydrophobicContact CG2-CD2 3.95Å; L192-L200 HydrophobicContact CD1-CB 4.27Å; L192-L200 HydrophobicContact CD2-CB 3.87Å; L192-L200 HydrophobicContact CG-CB 4.44Å; L200-L202 HydrophobicContact CD2-CD2 3.94Å; L200-L202 HydrophobicContact CG-CD2 4.13Å; L200-Q240 WeakPolarHBondContact O-CA 3.2Å; L200-I241 HydrophobicContact CB-CB 4.36Å; L200-I241 HydrophobicContact CD2-CD1 4.34Å; L200-I241 PolarHBondContact N-O 2.69Å; L200-I241 PolarHBondContact O-N 2.63Å |
| 201 | N | 90.2 | Very high | 85.3 | Confident | 87 Ų | 87 | 82.2 Ų | 82.2 | 47% | 0.465 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 123.9 | 171.2 | -63.9 | -22.5 | 0 | 0 | 0 | 108.9 | F238 Q240 | N201-F238 HydrophobicContact CB-CD2 4.09Å; N201-F238 HydrophobicContact CB-CE2 3.96Å; N201-Q240 WeakPolarHBondContact OD1-CG 3.37Å; N201-Q240 PolarHBondContact OD1-NE2 3.28Å |
| 202 | L | 89.8 | Confident | 85.2 | Confident | 9 Ų | 9 | 74.8 Ų | 74.8 | 5% | 0.047 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -85.4 | 150 | 172.3 | -60 | -176.1 | 0 | 0 | 0 | 110.1 | V185 K188 L200 I213 F238 I239 I241 | V185-L202 HydrophobicContact CG1-CD1 3.63Å; V185-L202 HydrophobicContact CG1-CD2 4.21Å; V185-L202 HydrophobicContact CG2-CD1 4.27Å; K188-L202 HydrophobicContact CD-CD2 4.18Å; L200-L202 HydrophobicContact CD2-CD2 3.94Å; L200-L202 HydrophobicContact CG-CD2 4.13Å; L202-I213 HydrophobicContact CD1-CD1 3.96Å; L202-I213 HydrophobicContact CD1-CG2 4.18Å; L202-F238 WeakPolarHBondContact O-CB 3.27Å; L202-I239 HydrophobicContact CB-CB 4.29Å; L202-I239 HydrophobicContact CD1-CB 4.12Å; L202-I239 HydrophobicContact CD1-CD1 4.43Å; L202-I239 HydrophobicContact CD1-CG2 4.28Å; L202-I239 HydrophobicContact CG-CB 4.45Å; L202-I239 PolarHBondContact N-O 2.68Å; L202-I241 HydrophobicContact CD1-CD1 3.88Å; L202-I241 HydrophobicContact CG-CD1 4.17Å |
| 203 | D | 87.2 | Confident | 85.2 | Confident | 112 Ų | 112 | 74.7 Ų | 74.7 | 60% | 0.599 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 148.7 | 173.5 | -54.5 | -62.6 | 0 | 0 | 0 | 110.6 | K188 C205 | K188-D203 IonicContact NZ-OD2 3.32Å; K188-D203 PolarHBondContact NZ-OD2 3.47Å; D203-C205 PolarHBondContact O-N 2.85Å |
| 204 | P | 87 | Confident | 85.3 | Confident | 76 Ų | 76 | 73.1 Ų | 73.1 | 49% | 0.494 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 128.7 | 176.1 | -26.2 | 34.2 | 0 | 0 | 0 | 111.5 | E236 F238 | P204-E236 HydrophobicContact CG-CB 4.4Å; P204-F238 HydrophobicContact CG-CB 4.36Å |
| 205 | C | 86.6 | Confident | 85.3 | Confident | 15 Ų | 15 | 69.8 Ų | 69.8 | 10% | 0.101 | 37% | 0.371 | C | S | . | . | trans | -128 | 163.2 | -176.6 | 74.5 | 0 | 0 | 0 | 0 | 111.6 | F181 D203 Q209 R210 | F181-C205 HydrophobicContact CZ-CB 4.03Å; D203-C205 PolarHBondContact O-N 2.85Å; C205-Q209 HydrophobicContact CB-CB 3.91Å; C205-R210 PolarHBondContact O-NH2 3.07Å | ||
| 206 | T | 87 | Confident | 85.6 | Confident | 80 Ų | 80 | 69 Ų | 69 | 49% | 0.491 | 36% | 0.36 | S | S | . | . | trans | -63.3 | 158.1 | 176.8 | 64.9 | 0 | 0 | 0 | 0 | 111.4 | F208 Q209 R210 | T206-F208 PolarHBondContact O-N 3.21Å; T206-Q209 PolarHBondContact O-N 3.22Å; T206-Q209 WeakPolarHBondContact OG1-CB 3.49Å; T206-Q209 WeakPolarHBondContact OG1-CG 3.27Å; T206-Q209 PolarHBondContact OG1-N 3.5Å; T206-Q209 PolarHBondContact OG1-OE1 3.38Å; T206-Q209 VanDerWaalsContact OG1-OE1 3.05Å; T206-R210 PolarHBondContact O-N 3.2Å | ||
| 207 | G | 84 | Confident | 85.9 | Confident | 54 Ų | 54 | 61.1 Ų | 61.1 | 56% | 0.557 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -58.8 | -32.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K211 | G207-K211 PolarHBondContact O-N 3.02Å; G207-K211 VanDerWaalsContact O-N 3.1Å |
| 208 | F | 85.4 | Confident | 85.9 | Confident | 108 Ų | 108 | 55.5 Ų | 55.5 | 47% | 0.474 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -68.5 | -47.7 | 175.2 | -176.8 | -114.7 | 0 | 0 | 0 | 112.1 | P175 Q178 T206 R210 K211 L212 | P175-F208 HydrophobicContact CG-CE1 4.25Å; P175-F208 HydrophobicContact CG-CZ 3.98Å; Q178-F208 HydrophobicContact CG-CD1 4.49Å; Q178-F208 HydrophobicContact CG-CE1 4.11Å; T206-F208 PolarHBondContact O-N 3.21Å; F208-R210 VanDerWaalsContact C-N 3.31Å; F208-R210 PolarHBondContact O-N 3.43Å; F208-K211 WeakPolarHBondContact O-CB 3.25Å; F208-K211 PolarHBondContact O-N 3.42Å; F208-L212 HydrophobicContact CD1-CD1 4Å; F208-L212 HydrophobicContact CE1-CD1 3.57Å; F208-L212 HydrophobicContact CE1-CG 4.36Å; F208-L212 HydrophobicContact CZ-CD1 3.91Å; F208-L212 HydrophobicContact CZ-CD2 4.5Å; F208-L212 HydrophobicContact CZ-CG 4.3Å; F208-L212 PolarHBondContact O-N 3.1Å |
| 209 | Q | 86.9 | Confident | 85.7 | Confident | 32 Ų | 32 | 53 Ų | 53 | 15% | 0.15 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.8 | -41.4 | 174.5 | -77.6 | 166.9 | -28.5 | 0 | 0 | 111.9 | Q178 F181 C205 T206 K211 L212 I213 | Q178-Q209 VanDerWaalsContact OE1-CG 3.23Å; F181-Q209 HydrophobicContact CD1-CB 4.4Å; F181-Q209 HydrophobicContact CD1-CG 4Å; F181-Q209 HydrophobicContact CE1-CB 3.73Å; F181-Q209 HydrophobicContact CE1-CG 3.79Å; F181-Q209 HydrophobicContact CZ-CB 4.24Å; F181-Q209 HydrophobicContact CZ-CG 4.34Å; C205-Q209 HydrophobicContact CB-CB 3.91Å; T206-Q209 PolarHBondContact O-N 3.22Å; T206-Q209 WeakPolarHBondContact OG1-CB 3.49Å; T206-Q209 WeakPolarHBondContact OG1-CG 3.27Å; T206-Q209 PolarHBondContact OG1-N 3.5Å; T206-Q209 PolarHBondContact OG1-OE1 3.38Å; T206-Q209 VanDerWaalsContact OG1-OE1 3.05Å; Q209-K211 VanDerWaalsContact C-N 3.35Å; Q209-K211 PolarHBondContact O-N 3.29Å; Q209-L212 PolarHBondContact O-N 2.92Å; Q209-I213 VanDerWaalsContact O-CG1 3.26Å; Q209-I213 WeakPolarHBondContact O-CG1 3.37Å; Q209-I213 PolarHBondContact O-N 3.27Å |
| 210 | R | 86.5 | Confident | 85.5 | Confident | 46 Ų | 46 | 54.5 Ų | 54.5 | 17% | 0.174 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.5 | -48.2 | 175.2 | -173.5 | 175.3 | -50.4 | 148.3 | 12.2 | 111.2 | C205 T206 F208 L212 I213 Y214 I239 | C205-R210 PolarHBondContact O-NH2 3.07Å; T206-R210 PolarHBondContact O-N 3.2Å; F208-R210 VanDerWaalsContact C-N 3.31Å; F208-R210 PolarHBondContact O-N 3.43Å; R210-L212 VanDerWaalsContact C-N 3.33Å; R210-L212 PolarHBondContact O-N 3.06Å; R210-I213 PolarHBondContact O-N 3.08Å; R210-Y214 HydrophobicContact CG-CD2 3.91Å; R210-Y214 HydrophobicContact CG-CE2 3.8Å; R210-Y214 VanDerWaalsContact O-CD2 3.31Å; R210-Y214 WeakPolarHBondContact O-CD2 3.31Å; R210-Y214 PolarHBondContact O-N 3.41Å; R210-I239 HydrophobicContact CB-CD1 4.24Å; R210-I239 HydrophobicContact CG-CD1 3.74Å; R210-I239 HydrophobicContact CG-CG1 4.17Å |
| 211 | K | 84.3 | Confident | 85.1 | Confident | 126 Ų | 126 | 54.6 Ų | 54.6 | 55% | 0.548 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -57.9 | -44.8 | 176.3 | -175.6 | 179 | 178.2 | -179.2 | 0 | 111.9 | G207 F208 Q209 Y214 Q215 | G207-K211 PolarHBondContact O-N 3.02Å; G207-K211 VanDerWaalsContact O-N 3.1Å; F208-K211 WeakPolarHBondContact O-CB 3.25Å; F208-K211 PolarHBondContact O-N 3.42Å; Q209-K211 VanDerWaalsContact C-N 3.35Å; Q209-K211 PolarHBondContact O-N 3.29Å; K211-Y214 PolarHBondContact O-N 2.93Å; K211-Q215 WeakPolarHBondContact O-CG 3.44Å; K211-Q215 PolarHBondContact O-N 3.32Å |
| 212 | L | 86.1 | Confident | 84.2 | Confident | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.2 | -38.1 | 177.1 | -71 | 173.8 | 0 | 0 | 0 | 112.3 | Q178 I182 F208 Q209 R210 T216 | Q178-L212 HydrophobicContact CB-CD1 3.89Å; Q178-L212 HydrophobicContact CG-CD1 4.08Å; I182-L212 HydrophobicContact CD1-CB 3.69Å; I182-L212 HydrophobicContact CG1-CB 4.22Å; F208-L212 HydrophobicContact CD1-CD1 4Å; F208-L212 HydrophobicContact CE1-CD1 3.57Å; F208-L212 HydrophobicContact CE1-CG 4.36Å; F208-L212 HydrophobicContact CZ-CD1 3.91Å; F208-L212 HydrophobicContact CZ-CD2 4.5Å; F208-L212 HydrophobicContact CZ-CG 4.3Å; F208-L212 PolarHBondContact O-N 3.1Å; Q209-L212 PolarHBondContact O-N 2.92Å; R210-L212 VanDerWaalsContact C-N 3.33Å; R210-L212 PolarHBondContact O-N 3.06Å; L212-T216 WeakPolarHBondContact O-CB 3.48Å; L212-T216 PolarHBondContact O-N 2.84Å; L212-T216 PolarHBondContact O-OG1 3.05Å |
| 213 | I | 87.2 | Confident | 83.6 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.9 | -51.8 | 175.1 | -68.8 | 165 | 0 | 0 | 0 | 109.8 | F181 I182 V185 L202 Q209 R210 Q215 T216 L217 I239 | F181-I213 HydrophobicContact CE1-CD1 3.85Å; F181-I213 HydrophobicContact CE1-CG1 4.22Å; F181-I213 HydrophobicContact CZ-CD1 4.1Å; I182-I213 HydrophobicContact CD1-CG1 3.73Å; V185-I213 HydrophobicContact CG1-CG1 4.27Å; V185-I213 HydrophobicContact CG1-CG2 4.29Å; V185-I213 HydrophobicContact CG2-CD1 4.28Å; V185-I213 HydrophobicContact CG2-CG1 4.42Å; L202-I213 HydrophobicContact CD1-CD1 3.96Å; L202-I213 HydrophobicContact CD1-CG2 4.18Å; Q209-I213 VanDerWaalsContact O-CG1 3.26Å; Q209-I213 WeakPolarHBondContact O-CG1 3.37Å; Q209-I213 PolarHBondContact O-N 3.27Å; R210-I213 PolarHBondContact O-N 3.08Å; I213-Q215 PolarHBondContact O-N 3.34Å; I213-T216 PolarHBondContact O-N 3.45Å; I213-L217 HydrophobicContact CG2-CD1 3.6Å; I213-L217 HydrophobicContact CG2-CG 4.14Å; I213-L217 WeakPolarHBondContact O-CB 3.41Å; I213-L217 VanDerWaalsContact O-CG 3.28Å; I213-L217 WeakPolarHBondContact O-CG 3.25Å; I213-L217 PolarHBondContact O-N 3.02Å; I213-I239 HydrophobicContact CB-CD1 4.05Å; I213-I239 HydrophobicContact CD1-CD1 3.6Å; I213-I239 HydrophobicContact CG1-CD1 4.44Å; I213-I239 HydrophobicContact CG2-CD1 3.86Å |
| 214 | Y | 83.8 | Confident | 83 | Confident | 45 Ų | 45 | 55.6 Ų | 55.6 | 18% | 0.176 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.8 | -47.1 | 178.4 | -87.6 | -82.1 | 0 | 0 | 0 | 112.4 | I163 R210 K211 S218 V227 E228 T229 | I163-Y214 HydrophobicContact CB-CD1 4.46Å; I163-Y214 HydrophobicContact CD1-CD1 4.4Å; R210-Y214 HydrophobicContact CG-CD2 3.91Å; R210-Y214 HydrophobicContact CG-CE2 3.8Å; R210-Y214 VanDerWaalsContact O-CD2 3.31Å; R210-Y214 WeakPolarHBondContact O-CD2 3.31Å; R210-Y214 PolarHBondContact O-N 3.41Å; K211-Y214 PolarHBondContact O-N 2.93Å; Y214-S218 VanDerWaalsContact O-CB 3.3Å; Y214-S218 WeakPolarHBondContact O-CB 3.45Å; Y214-S218 PolarHBondContact O-N 2.87Å; Y214-S218 PolarHBondContact O-OG 3.48Å; Y214-V227 HydrophobicContact CD1-CG1 4.2Å; Y214-V227 HydrophobicContact CE1-CB 4.03Å; Y214-V227 HydrophobicContact CE1-CG1 3.73Å; Y214-V227 WeakPolarHBondContact CE1-O 3.44Å; Y214-V227 HydrophobicContact CE2-CG1 4.44Å; Y214-V227 PolarHBondContact OH-O 2.86Å; Y214-E228 WeakPolarHBondContact OH-CA 3.06Å; Y214-T229 PolarHBondContact OH-N 3.34Å; Y214-T229 PolarHBondContact OH-OG1 3.41Å |
| 215 | Q | 82.8 | Confident | 82.7 | Confident | 77 Ų | 77 | 52.4 Ų | 52.4 | 36% | 0.36 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.8 | -37.5 | 178.5 | -74.1 | -177.3 | -34.2 | 0 | 0 | 113.2 | A172 K211 I213 S218 | A172-Q215 HydrophobicContact CB-CB 3.91Å; K211-Q215 WeakPolarHBondContact O-CG 3.44Å; K211-Q215 PolarHBondContact O-N 3.32Å; I213-Q215 PolarHBondContact O-N 3.34Å; Q215-S218 PolarHBondContact O-OG 2.86Å |
| 216 | T | 86.1 | Confident | 82.5 | Confident | 14 Ų | 14 | 52.4 Ų | 52.4 | 9% | 0.086 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -72.6 | -46.5 | -178.1 | -58.1 | 0 | 0 | 0 | 0 | 110.8 | I182 V186 L212 I213 S218 W219 K220 | I182-T216 HydrophobicContact CG2-CG2 3.67Å; V186-T216 HydrophobicContact CG2-CG2 3.94Å; L212-T216 WeakPolarHBondContact O-CB 3.48Å; L212-T216 PolarHBondContact O-N 2.84Å; L212-T216 PolarHBondContact O-OG1 3.05Å; I213-T216 PolarHBondContact O-N 3.45Å; T216-S218 VanDerWaalsContact C-N 3.33Å; T216-W219 PolarHBondContact O-N 3.2Å; T216-K220 HydrophobicContact CG2-CD 4.01Å; T216-K220 WeakPolarHBondContact O-CB 3.46Å; T216-K220 PolarHBondContact O-N 3.02Å |
| 217 | L | 84.5 | Confident | 82.3 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68 | -34 | -179.9 | -63.6 | -178.4 | 0 | 0 | 0 | 111.6 | V189 I213 W219 F221 V227 I241 | V189-L217 HydrophobicContact CB-CD2 4.41Å; V189-L217 HydrophobicContact CG1-CD2 4.28Å; V189-L217 HydrophobicContact CG2-CD2 4.01Å; I213-L217 HydrophobicContact CG2-CD1 3.6Å; I213-L217 HydrophobicContact CG2-CG 4.14Å; I213-L217 WeakPolarHBondContact O-CB 3.41Å; I213-L217 VanDerWaalsContact O-CG 3.28Å; I213-L217 WeakPolarHBondContact O-CG 3.25Å; I213-L217 PolarHBondContact O-N 3.02Å; L217-W219 VanDerWaalsContact C-N 3.28Å; L217-W219 PolarHBondContact O-N 3.46Å; L217-F221 HydrophobicContact CD2-CD2 3.76Å; L217-F221 HydrophobicContact CD2-CE2 4.01Å; L217-F221 CarbonylContact O-C 3.6Å; L217-F221 WeakPolarHBondContact O-CA 3.48Å; L217-F221 PolarHBondContact O-N 3.48Å; L217-V227 HydrophobicContact CD1-CG1 4.43Å; L217-V227 HydrophobicContact CD1-CG2 3.92Å; L217-I241 HydrophobicContact CD1-CD1 3.55Å; L217-I241 HydrophobicContact CD1-CG1 4.31Å |
| 218 | S | 78.9 | Confident | 82.2 | Confident | 12 Ų | 12 | 48.9 Ų | 48.9 | 8% | 0.084 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.3 | -33.1 | 177.7 | 67.2 | 0 | 0 | 0 | 0 | 114 | Y214 Q215 T216 | Y214-S218 VanDerWaalsContact O-CB 3.3Å; Y214-S218 WeakPolarHBondContact O-CB 3.45Å; Y214-S218 PolarHBondContact O-N 2.87Å; Y214-S218 PolarHBondContact O-OG 3.48Å; Q215-S218 PolarHBondContact O-OG 2.86Å; T216-S218 VanDerWaalsContact C-N 3.33Å |
| 219 | W | 78.9 | Confident | 82.2 | Confident | 115 Ų | 115 | 46.2 Ų | 46.2 | 44% | 0.436 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -85.5 | -47.9 | 176.1 | 159.7 | -98.3 | 0 | 0 | 0 | 112.7 | S168 K169 P171 T216 L217 | S168-W219 VanDerWaalsContact O-CE3 3.27Å; K169-W219 WeakPolarHBondContact O-CZ3 3.47Å; P171-W219 HydrophobicContact CG-CZ2 4Å; T216-W219 PolarHBondContact O-N 3.2Å; L217-W219 VanDerWaalsContact C-N 3.28Å; L217-W219 PolarHBondContact O-N 3.46Å |
| 220 | K | 82.9 | Confident | 82 | Confident | 101 Ų | 101 | 47.4 Ų | 47.4 | 44% | 0.439 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -71.8 | -32.4 | -176.3 | -86.7 | -179.1 | 167.7 | -94.4 | 0 | 113.1 | V186 T216 | V186-K220 HydrophobicContact CG1-CD 3.93Å; V186-K220 HydrophobicContact CG2-CD 3.86Å; T216-K220 HydrophobicContact CG2-CD 4.01Å; T216-K220 WeakPolarHBondContact O-CB 3.46Å; T216-K220 PolarHBondContact O-N 3.02Å |
| 221 | F | 82.1 | Confident | 82 | Confident | 27 Ų | 27 | 49.8 Ų | 49.8 | 12% | 0.118 | 24% | 0.241 | C | C | . | . | trans | -131.5 | 71.2 | -176.1 | -57 | -80.4 | 0 | 0 | 0 | 110.4 | V186 V189 E190 F193 L217 K223 L225 | V186-F221 HydrophobicContact CG1-CE2 4.31Å; V186-F221 HydrophobicContact CG1-CZ 4.44Å; V189-F221 HydrophobicContact CB-CE2 4.38Å; V189-F221 HydrophobicContact CG1-CD2 4.02Å; V189-F221 HydrophobicContact CG1-CE1 4.41Å; V189-F221 HydrophobicContact CG1-CE2 3.8Å; V189-F221 HydrophobicContact CG1-CG 4.43Å; V189-F221 HydrophobicContact CG1-CZ 4.02Å; E190-F221 HydrophobicContact CG-CE1 4.29Å; E190-F221 HydrophobicContact CG-CZ 3.72Å; F193-F221 AromaticContact CD2-CD1 3.96Å; F193-F221 HydrophobicContact CD2-CD1 3.96Å; F193-F221 HydrophobicContact CD2-CE1 4.06Å; F193-F221 AromaticContact CE2-CD1 3.63Å; F193-F221 HydrophobicContact CE2-CD1 3.63Å; F193-F221 HydrophobicContact CE2-CE1 4.2Å; F193-F221 HydrophobicContact CE2-CG 4.4Å; L217-F221 HydrophobicContact CD2-CD2 3.76Å; L217-F221 HydrophobicContact CD2-CE2 4.01Å; L217-F221 CarbonylContact O-C 3.6Å; L217-F221 WeakPolarHBondContact O-CA 3.48Å; L217-F221 PolarHBondContact O-N 3.48Å; F221-K223 PolarHBondContact O-N 3.04Å; F221-L225 HydrophobicContact CB-CD1 3.43Å; F221-L225 VanDerWaalsContact CB-CD1 3.43Å; F221-L225 HydrophobicContact CB-CG 4.2Å; F221-L225 HydrophobicContact CD1-CD1 4.17Å; F221-L225 HydrophobicContact CD2-CD1 4.01Å; F221-L225 HydrophobicContact CG-CD1 3.61Å | ||
| 222 | P | 70.7 | Confident | 81.9 | Confident | 62 Ų | 62 | 46.2 Ų | 46.2 | 40% | 0.403 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -68.8 | -15.7 | -174.7 | 28.4 | -35.7 | 0 | 0 | 0 | 113.6 | ||
| 223 | K | 76 | Confident | 81.8 | Confident | 140 Ų | 140 | 55.7 Ų | 55.7 | 61% | 0.609 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -141 | 156.4 | 178.7 | -63.8 | -174.6 | 174.8 | -166.5 | 0 | 110 | F221 E246 | F221-K223 PolarHBondContact O-N 3.04Å; K223-E246 WeakPolarHBondContact CD-OE1 3.44Å |
| 224 | G | 76.2 | Confident | 81.6 | Confident | 26 Ų | 26 | 64 Ų | 64 | 27% | 0.268 | 31% | 0.31 | S | S | . | . | S | Bend | trans | 88.9 | -5.1 | 174 | 0 | 0 | 0 | 0 | 0 | 115.6 | K243 V244 | G224-K243 WeakPolarHBondContact O-CA 3.29Å; G224-V244 CarbonylContact C-O 3.59Å; G224-V244 WeakPolarHBondContact CA-O 3.4Å; G224-V244 PolarHBondContact O-N 3.18Å |
| 225 | L | 81.1 | Confident | 81.6 | Confident | 9 Ų | 9 | 69.8 Ų | 69.8 | 5% | 0.047 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 141.5 | 179 | -65.2 | 179 | 0 | 0 | 0 | 112.2 | P165 V189 L192 F193 F221 I241 S242 | P165-L225 WeakPolarHBondContact CD-O 3.42Å; V189-L225 HydrophobicContact CG1-CD1 3.41Å; V189-L225 VanDerWaalsContact CG1-CD1 3.41Å; V189-L225 HydrophobicContact CG1-CD2 4.46Å; L192-L225 HydrophobicContact CD2-CD2 4.42Å; F193-L225 HydrophobicContact CD2-CD1 4.42Å; F193-L225 HydrophobicContact CD2-CD2 4.08Å; F193-L225 HydrophobicContact CD2-CG 4.35Å; F193-L225 HydrophobicContact CE2-CD1 3.88Å; F193-L225 HydrophobicContact CE2-CD2 3.68Å; F193-L225 HydrophobicContact CE2-CG 3.57Å; F193-L225 HydrophobicContact CZ-CD2 4.48Å; F193-L225 HydrophobicContact CZ-CG 4.33Å; F221-L225 HydrophobicContact CB-CD1 3.43Å; F221-L225 VanDerWaalsContact CB-CD1 3.43Å; F221-L225 HydrophobicContact CB-CG 4.2Å; F221-L225 HydrophobicContact CD1-CD1 4.17Å; F221-L225 HydrophobicContact CD2-CD1 4.01Å; F221-L225 HydrophobicContact CG-CD1 3.61Å; L225-I241 HydrophobicContact CD1-CG2 4.29Å; L225-I241 HydrophobicContact CD2-CG2 3.87Å; L225-I241 HydrophobicContact CG-CG2 4.48Å; L225-S242 WeakPolarHBondContact CA-O 3.32Å |
| 226 | H | 81.6 | Confident | 81.7 | Confident | 16 Ų | 16 | 70.9 Ų | 70.9 | 7% | 0.074 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 133.3 | 164.9 | -179.7 | 73.4 | 0 | 0 | 0 | 109.5 | I241 S242 V244 | H226-I241 CarbonylContact O-C 3.48Å; H226-I241 WeakPolarHBondContact O-CA 3.38Å; H226-S242 PolarHBondContact N-O 3.27Å; H226-S242 PolarHBondContact O-N 3.49Å; H226-V244 HydrophobicContact CB-CB 4.19Å; H226-V244 HydrophobicContact CB-CG2 3.47Å; H226-V244 VanDerWaalsContact CB-CG2 3.47Å |
| 227 | V | 83 | Confident | 81.6 | Confident | 8 Ų | 8 | 76.8 Ų | 76.8 | 5% | 0.048 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 116.2 | -175.4 | -173.8 | 0 | 0 | 0 | 0 | 109.2 | Y214 L217 I239 I241 | Y214-V227 HydrophobicContact CD1-CG1 4.2Å; Y214-V227 HydrophobicContact CE1-CB 4.03Å; Y214-V227 HydrophobicContact CE1-CG1 3.73Å; Y214-V227 WeakPolarHBondContact CE1-O 3.44Å; Y214-V227 HydrophobicContact CE2-CG1 4.44Å; Y214-V227 PolarHBondContact OH-O 2.86Å; L217-V227 HydrophobicContact CD1-CG1 4.43Å; L217-V227 HydrophobicContact CD1-CG2 3.92Å; V227-I239 HydrophobicContact CG1-CG2 3.5Å; V227-I241 HydrophobicContact CG1-CG1 4.3Å; V227-I241 HydrophobicContact CG2-CG1 4.32Å; V227-I241 HydrophobicContact CG2-CG2 4.48Å |
| 228 | E | 82.6 | Confident | 81.8 | Confident | 52 Ų | 52 | 78.1 Ų | 78.1 | 24% | 0.243 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 151.6 | 178.9 | 65.6 | -176.5 | 142.5 | 0 | 0 | 111.7 | Y214 L230 I239 Q240 | Y214-E228 WeakPolarHBondContact OH-CA 3.06Å; E228-L230 HydrophobicContact CG-CD2 4.17Å; E228-L230 HydrophobicContact CG-CG 4.13Å; E228-I239 WeakPolarHBondContact O-CA 3.2Å; E228-Q240 HydrophobicContact CG-CB 4.25Å; E228-Q240 PolarHBondContact N-O 2.88Å; E228-Q240 PolarHBondContact O-N 3.4Å |
| 229 | T | 83.7 | Confident | 82.2 | Confident | 52 Ų | 52 | 77.6 Ų | 77.6 | 32% | 0.319 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 117.2 | 175.3 | -58.7 | 0 | 0 | 0 | 0 | 108.1 | Y214 R237 F238 | Y214-T229 PolarHBondContact OH-N 3.34Å; Y214-T229 PolarHBondContact OH-OG1 3.41Å; T229-R237 HydrophobicContact CG2-CB 4.1Å; T229-F238 CarbonylContact C-O 3.57Å; T229-F238 WeakPolarHBondContact CA-O 3.45Å |
| 230 | L | 83.5 | Confident | 82.7 | Confident | 56 Ų | 56 | 74 Ų | 74 | 29% | 0.293 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 160.8 | 178.5 | -61.4 | 176.9 | 0 | 0 | 0 | 110 | E228 R237 F238 Q240 | E228-L230 HydrophobicContact CG-CD2 4.17Å; E228-L230 HydrophobicContact CG-CG 4.13Å; L230-R237 CarbonylContact O-C 3.57Å; L230-R237 VanDerWaalsContact O-CA 3.29Å; L230-R237 WeakPolarHBondContact O-CA 3.45Å; L230-F238 HydrophobicContact CB-CD1 4.22Å; L230-F238 HydrophobicContact CB-CE1 3.62Å; L230-F238 HydrophobicContact CB-CE2 4.26Å; L230-F238 HydrophobicContact CB-CZ 3.64Å; L230-F238 HydrophobicContact CD1-CE2 4.26Å; L230-F238 HydrophobicContact CD1-CZ 3.89Å; L230-F238 HydrophobicContact CG-CZ 4.38Å; L230-F238 PolarHBondContact N-O 2.93Å; L230-F238 PolarHBondContact O-N 2.99Å; L230-Q240 HydrophobicContact CD1-CB 3.78Å; L230-Q240 HydrophobicContact CD1-CG 4.42Å; L230-Q240 HydrophobicContact CG-CB 4.38Å |
| 231 | E | 86.1 | Confident | 83 | Confident | 96 Ų | 96 | 69.1 Ų | 69.1 | 45% | 0.449 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 127.6 | 179.2 | -167.3 | 162.8 | 148.4 | 0 | 0 | 108.7 | K235 R237 | E231-K235 HydrophobicContact CG-CB 4.46Å; E231-K235 WeakPolarHBondContact OE1-CA 3.44Å; E231-K235 VanDerWaalsContact OE1-CB 3.32Å; E231-K235 WeakPolarHBondContact OE1-CB 3.4Å; E231-K235 WeakPolarHBondContact OE1-CG 3.47Å; E231-R237 HydrophobicContact CB-CG 4.36Å; E231-R237 HydrophobicContact CG-CG 4.16Å; E231-R237 IonicContact OE2-CZ 3.61Å; E231-R237 IonicContact OE2-NE 3.8Å; E231-R237 PolarHBondContact OE2-NE 3.37Å; E231-R237 VanDerWaalsContact OE2-NE 3.09Å; E231-R237 IonicContact OE2-NH2 3.51Å |
| 232 | T | 83 | Confident | 83.2 | Confident | 51 Ų | 51 | 68.1 Ų | 68.1 | 31% | 0.313 | 33% | 0.327 | S | S | . | . | trans | -74.6 | 168.4 | 176.7 | 62.8 | 0 | 0 | 0 | 0 | 111.1 | K234 K235 E236 F238 | T232-K234 PolarHBondContact O-N 3.26Å; T232-K234 PolarHBondContact OG1-N 3.46Å; T232-K235 WeakPolarHBondContact O-CA 3.29Å; T232-K235 PolarHBondContact O-N 3.25Å; T232-E236 PolarHBondContact N-O 3.39Å; T232-E236 WeakPolarHBondContact OG1-CB 3.47Å; T232-E236 PolarHBondContact OG1-N 2.82Å; T232-E236 PolarHBondContact OG1-O 3.48Å; T232-F238 HydrophobicContact CG2-CD1 3.67Å; T232-F238 HydrophobicContact CG2-CE1 3.68Å | ||
| 233 | E | 82.9 | Confident | 83.9 | Confident | 205 Ų | 205 | 68.2 Ų | 68.2 | 96% | 0.958 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -26.4 | 172.5 | -63.5 | 180 | 174.9 | 0 | 0 | 112.9 | K235 | E233-K235 VanDerWaalsContact C-N 3.26Å; E233-K235 PolarHBondContact O-N 3.32Å |
| 234 | K | 84.1 | Confident | 84.1 | Confident | 176 Ų | 176 | 62 Ų | 62 | 77% | 0.765 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | 7.8 | 176 | -63.5 | -175.9 | -179.4 | 178.5 | 0 | 114 | T232 E236 | T232-K234 PolarHBondContact O-N 3.26Å; T232-K234 PolarHBondContact OG1-N 3.46Å; K234-E236 HydrophobicContact CB-CG 4.3Å; K234-E236 PolarHBondContact O-N 3.35Å |
| 235 | K | 82.9 | Confident | 84.4 | Confident | 166 Ų | 166 | 65.7 Ų | 65.7 | 72% | 0.722 | 31% | 0.308 | S | S | * | . | trans | 61.7 | 24.2 | -174.2 | -59.3 | -172 | 175.5 | 179.4 | 0 | 114.6 | E231 T232 E233 | E231-K235 HydrophobicContact CG-CB 4.46Å; E231-K235 WeakPolarHBondContact OE1-CA 3.44Å; E231-K235 VanDerWaalsContact OE1-CB 3.32Å; E231-K235 WeakPolarHBondContact OE1-CB 3.4Å; E231-K235 WeakPolarHBondContact OE1-CG 3.47Å; T232-K235 WeakPolarHBondContact O-CA 3.29Å; T232-K235 PolarHBondContact O-N 3.25Å; E233-K235 VanDerWaalsContact C-N 3.26Å; E233-K235 PolarHBondContact O-N 3.32Å | ||
| 236 | E | 84.1 | Confident | 84.1 | Confident | 101 Ų | 101 | 68.9 Ų | 68.9 | 47% | 0.472 | 32% | 0.323 | S | S | . | . | trans | -89.6 | 123.8 | 175 | -62.3 | 177.7 | 141.1 | 0 | 0 | 109.5 | P204 T232 K234 | P204-E236 HydrophobicContact CG-CB 4.4Å; T232-E236 PolarHBondContact N-O 3.39Å; T232-E236 WeakPolarHBondContact OG1-CB 3.47Å; T232-E236 PolarHBondContact OG1-N 2.82Å; T232-E236 PolarHBondContact OG1-O 3.48Å; K234-E236 HydrophobicContact CB-CG 4.3Å; K234-E236 PolarHBondContact O-N 3.35Å | ||
| 237 | R | 85.4 | Confident | 84.1 | Confident | 137 Ų | 137 | 75.9 Ų | 75.9 | 52% | 0.517 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 124.2 | -179.4 | -68.9 | -176.4 | 180 | -179.3 | 4.6 | 111.3 | T229 L230 E231 | T229-R237 HydrophobicContact CG2-CB 4.1Å; L230-R237 CarbonylContact O-C 3.57Å; L230-R237 VanDerWaalsContact O-CA 3.29Å; L230-R237 WeakPolarHBondContact O-CA 3.45Å; E231-R237 HydrophobicContact CB-CG 4.36Å; E231-R237 HydrophobicContact CG-CG 4.16Å; E231-R237 IonicContact OE2-CZ 3.61Å; E231-R237 IonicContact OE2-NE 3.8Å; E231-R237 PolarHBondContact OE2-NE 3.37Å; E231-R237 VanDerWaalsContact OE2-NE 3.09Å; E231-R237 IonicContact OE2-NH2 3.51Å |
| 238 | F | 88.8 | Confident | 84 | Confident | 32 Ų | 32 | 77.8 Ų | 77.8 | 14% | 0.14 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 163.3 | 177 | 75.6 | -82.2 | 0 | 0 | 0 | 110.6 | N201 L202 P204 T229 L230 T232 Q240 | N201-F238 HydrophobicContact CB-CD2 4.09Å; N201-F238 HydrophobicContact CB-CE2 3.96Å; L202-F238 WeakPolarHBondContact O-CB 3.27Å; P204-F238 HydrophobicContact CG-CB 4.36Å; T229-F238 CarbonylContact C-O 3.57Å; T229-F238 WeakPolarHBondContact CA-O 3.45Å; L230-F238 HydrophobicContact CB-CD1 4.22Å; L230-F238 HydrophobicContact CB-CE1 3.62Å; L230-F238 HydrophobicContact CB-CE2 4.26Å; L230-F238 HydrophobicContact CB-CZ 3.64Å; L230-F238 HydrophobicContact CD1-CE2 4.26Å; L230-F238 HydrophobicContact CD1-CZ 3.89Å; L230-F238 HydrophobicContact CG-CZ 4.38Å; L230-F238 PolarHBondContact N-O 2.93Å; L230-F238 PolarHBondContact O-N 2.99Å; T232-F238 HydrophobicContact CG2-CD1 3.67Å; T232-F238 HydrophobicContact CG2-CE1 3.68Å; F238-Q240 HydrophobicContact CE2-CB 4.3Å |
| 239 | I | 87.3 | Confident | 83.6 | Confident | 1 Ų | 1 | 78.5 Ų | 78.5 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 127.5 | -179.2 | -58.2 | 172.7 | 0 | 0 | 0 | 108.4 | L202 R210 I213 V227 E228 I241 | L202-I239 HydrophobicContact CB-CB 4.29Å; L202-I239 HydrophobicContact CD1-CB 4.12Å; L202-I239 HydrophobicContact CD1-CD1 4.43Å; L202-I239 HydrophobicContact CD1-CG2 4.28Å; L202-I239 HydrophobicContact CG-CB 4.45Å; L202-I239 PolarHBondContact N-O 2.68Å; R210-I239 HydrophobicContact CB-CD1 4.24Å; R210-I239 HydrophobicContact CG-CD1 3.74Å; R210-I239 HydrophobicContact CG-CG1 4.17Å; I213-I239 HydrophobicContact CB-CD1 4.05Å; I213-I239 HydrophobicContact CD1-CD1 3.6Å; I213-I239 HydrophobicContact CG1-CD1 4.44Å; I213-I239 HydrophobicContact CG2-CD1 3.86Å; V227-I239 HydrophobicContact CG1-CG2 3.5Å; E228-I239 WeakPolarHBondContact O-CA 3.2Å; I239-I241 HydrophobicContact CG2-CG1 4.13Å |
| 240 | Q | 88.6 | Confident | 83.4 | Confident | 39 Ų | 39 | 82.9 Ų | 82.9 | 18% | 0.182 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 132.3 | 169 | -179.9 | 169.1 | 88.4 | 0 | 0 | 109.6 | L200 N201 E228 L230 F238 | L200-Q240 WeakPolarHBondContact O-CA 3.2Å; N201-Q240 WeakPolarHBondContact OD1-CG 3.37Å; N201-Q240 PolarHBondContact OD1-NE2 3.28Å; E228-Q240 HydrophobicContact CG-CB 4.25Å; E228-Q240 PolarHBondContact N-O 2.88Å; E228-Q240 PolarHBondContact O-N 3.4Å; L230-Q240 HydrophobicContact CD1-CB 3.78Å; L230-Q240 HydrophobicContact CD1-CG 4.42Å; L230-Q240 HydrophobicContact CG-CB 4.38Å; F238-Q240 HydrophobicContact CE2-CB 4.3Å |
| 241 | I | 88.6 | Confident | 83.4 | Confident | 0 Ų | 0 | 85.2 Ų | 85.2 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 121 | 177.3 | -57.6 | 174.5 | 0 | 0 | 0 | 107.1 | V189 L192 T199 L200 L202 L217 L225 H226 V227 I239 | V189-I241 HydrophobicContact CG2-CD1 3.42Å; V189-I241 VanDerWaalsContact CG2-CD1 3.42Å; V189-I241 HydrophobicContact CG2-CG2 4.44Å; L192-I241 HydrophobicContact CD2-CG2 4.02Å; T199-I241 CarbonylContact C-O 3.47Å; T199-I241 VanDerWaalsContact CA-O 3.31Å; T199-I241 WeakPolarHBondContact CA-O 3.38Å; L200-I241 HydrophobicContact CB-CB 4.36Å; L200-I241 HydrophobicContact CD2-CD1 4.34Å; L200-I241 PolarHBondContact N-O 2.69Å; L200-I241 PolarHBondContact O-N 2.63Å; L202-I241 HydrophobicContact CD1-CD1 3.88Å; L202-I241 HydrophobicContact CG-CD1 4.17Å; L217-I241 HydrophobicContact CD1-CD1 3.55Å; L217-I241 HydrophobicContact CD1-CG1 4.31Å; L225-I241 HydrophobicContact CD1-CG2 4.29Å; L225-I241 HydrophobicContact CD2-CG2 3.87Å; L225-I241 HydrophobicContact CG-CG2 4.48Å; H226-I241 CarbonylContact O-C 3.48Å; H226-I241 WeakPolarHBondContact O-CA 3.38Å; V227-I241 HydrophobicContact CG1-CG1 4.3Å; V227-I241 HydrophobicContact CG2-CG1 4.32Å; V227-I241 HydrophobicContact CG2-CG2 4.48Å; I239-I241 HydrophobicContact CG2-CG1 4.13Å |
| 242 | S | 86.9 | Confident | 83.1 | Confident | 5 Ų | 5 | 84.5 Ų | 84.5 | 4% | 0.035 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 140.3 | 178.1 | 49 | 0 | 0 | 0 | 0 | 110.8 | K198 L225 H226 V244 | K198-S242 WeakPolarHBondContact O-CA 3.48Å; L225-S242 WeakPolarHBondContact CA-O 3.32Å; H226-S242 PolarHBondContact N-O 3.27Å; H226-S242 PolarHBondContact O-N 3.49Å; S242-V244 PolarHBondContact O-N 3.29Å |
| 243 | K | 85 | Confident | 82.9 | Confident | 65 Ų | 65 | 86.4 Ų | 86.4 | 28% | 0.283 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 125.1 | 166.3 | -66.1 | -169.2 | -166.3 | -176 | 0 | 108.2 | L192 F193 G195 E197 K198 G224 | L192-K243 HydrophobicContact CD2-CG 4.19Å; L192-K243 HydrophobicContact CG-CG 4.05Å; L192-K243 WeakPolarHBondContact O-CE 3.46Å; L192-K243 PolarHBondContact O-NZ 2.76Å; F193-K243 VanDerWaalsContact C-NZ 3.33Å; F193-K243 PolarHBondContact O-NZ 2.96Å; G195-K243 PolarHBondContact O-NZ 3.43Å; E197-K243 VanDerWaalsContact O-CE 3.26Å; E197-K243 WeakPolarHBondContact O-CE 3.39Å; K198-K243 PolarHBondContact O-N 2.77Å; G224-K243 WeakPolarHBondContact O-CA 3.29Å |
| 244 | V | 81.3 | Confident | 82.9 | Confident | 10 Ų | 10 | 81 Ų | 81 | 6% | 0.061 | 36% | 0.357 | C | S | . | . | trans | -133.8 | 113.9 | -179.1 | 176.6 | 0 | 0 | 0 | 0 | 107.1 | G224 H226 S242 E248 R249 | G224-V244 CarbonylContact C-O 3.59Å; G224-V244 WeakPolarHBondContact CA-O 3.4Å; G224-V244 PolarHBondContact O-N 3.18Å; H226-V244 HydrophobicContact CB-CB 4.19Å; H226-V244 HydrophobicContact CB-CG2 3.47Å; H226-V244 VanDerWaalsContact CB-CG2 3.47Å; S242-V244 PolarHBondContact O-N 3.29Å; V244-E248 HydrophobicContact CG1-CB 4.01Å; V244-E248 HydrophobicContact CG1-CG 3.84Å; V244-R249 HydrophobicContact CG1-CB 3.76Å; V244-R249 VanDerWaalsContact CG1-N 3.35Å | ||
| 245 | D | 81.5 | Confident | 83 | Confident | 102 Ų | 102 | 77.2 Ų | 77.2 | 55% | 0.545 | 34% | 0.342 | S | S | . | . | trans | -69.2 | 167.3 | 170.1 | 62.8 | 47 | 0 | 0 | 0 | 110.6 | E247 E248 R249 | D245-E247 PolarHBondContact O-N 3.31Å; D245-E247 PolarHBondContact OD1-N 3.23Å; D245-E247 VanDerWaalsContact OD1-N 3.09Å; D245-E248 PolarHBondContact O-N 3.46Å; D245-E248 WeakPolarHBondContact OD1-CB 3.41Å; D245-E248 PolarHBondContact OD1-N 3.22Å; D245-R249 WeakPolarHBondContact O-CB 3.39Å; D245-R249 PolarHBondContact O-N 2.97Å | ||
| 246 | E | 75.9 | Confident | 83 | Confident | 77 Ų | 77 | 73.7 Ų | 73.7 | 36% | 0.36 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.4 | -24.9 | -177.2 | -73.8 | -69.9 | -179.7 | 0 | 0 | 113.1 | K223 R249 K250 | K223-E246 WeakPolarHBondContact CD-OE1 3.44Å; E246-R249 IonicContact OE2-NH1 3.1Å; E246-K250 WeakPolarHBondContact O-CG 3.42Å; E246-K250 PolarHBondContact O-N 2.95Å; E246-K250 VanDerWaalsContact O-N 3.15Å |
| 247 | E | 81.1 | Confident | 82.9 | Confident | 163 Ų | 163 | 71.8 Ų | 71.8 | 76% | 0.762 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -74.9 | -48.1 | 176.7 | -68.9 | -141 | 136.7 | 0 | 0 | 111.4 | D245 R249 K250 R251 | D245-E247 PolarHBondContact O-N 3.31Å; D245-E247 PolarHBondContact OD1-N 3.23Å; D245-E247 VanDerWaalsContact OD1-N 3.09Å; E247-R249 VanDerWaalsContact C-N 3.26Å; E247-R249 PolarHBondContact O-N 3.08Å; E247-K250 PolarHBondContact O-N 3.46Å; E247-R251 WeakPolarHBondContact O-CB 3.33Å; E247-R251 PolarHBondContact O-N 3.01Å |
| 248 | E | 80 | Confident | 83.1 | Confident | 47 Ų | 47 | 70.2 Ų | 70.2 | 22% | 0.22 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.5 | -36.5 | 174.8 | 176.8 | 60.5 | -164.5 | 0 | 0 | 111 | V244 D245 R251 R252 | V244-E248 HydrophobicContact CG1-CB 4.01Å; V244-E248 HydrophobicContact CG1-CG 3.84Å; D245-E248 PolarHBondContact O-N 3.46Å; D245-E248 WeakPolarHBondContact OD1-CB 3.41Å; D245-E248 PolarHBondContact OD1-N 3.22Å; E248-R251 VanDerWaalsContact CD-NH2 3.29Å; E248-R251 PolarHBondContact O-N 2.87Å; E248-R251 IonicContact OE1-CZ 3.63Å; E248-R251 IonicContact OE1-NE 3.78Å; E248-R251 IonicContact OE1-NH2 2.7Å; E248-R251 PolarHBondContact OE1-NH2 3.21Å; E248-R251 IonicContact OE2-CZ 3.34Å; E248-R251 IonicContact OE2-NE 2.72Å; E248-R251 PolarHBondContact OE2-NE 2.89Å; E248-R251 IonicContact OE2-NH2 3.17Å; E248-R251 PolarHBondContact OE2-NH2 3.36Å; E248-R252 VanDerWaalsContact O-CG 3.32Å; E248-R252 WeakPolarHBondContact O-CG 3.07Å; E248-R252 PolarHBondContact O-N 3.13Å; E248-R252 IonicContact OE1-CZ 3.51Å; E248-R252 IonicContact OE1-NE 2.78Å; E248-R252 PolarHBondContact OE1-NE 2.68Å; E248-R252 IonicContact OE1-NH2 3.25Å; E248-R252 PolarHBondContact OE1-NH2 3.17Å |
| 249 | R | 74.6 | Confident | 83 | Confident | 67 Ų | 67 | 75 Ų | 75 | 25% | 0.253 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.4 | -53.6 | 172.5 | -175.7 | -175.3 | 173.5 | 170.9 | 4.2 | 111.1 | V244 D245 E246 E247 R251 R252 E253 | V244-R249 HydrophobicContact CG1-CB 3.76Å; V244-R249 VanDerWaalsContact CG1-N 3.35Å; D245-R249 WeakPolarHBondContact O-CB 3.39Å; D245-R249 PolarHBondContact O-N 2.97Å; E246-R249 IonicContact OE2-NH1 3.1Å; E247-R249 VanDerWaalsContact C-N 3.26Å; E247-R249 PolarHBondContact O-N 3.08Å; R249-R251 VanDerWaalsContact C-N 3.27Å; R249-R251 PolarHBondContact O-N 3.19Å; R249-R252 PolarHBondContact O-N 3.04Å; R249-E253 IonicContact CZ-OE1 3.49Å; R249-E253 IonicContact NE-OE1 2.81Å; R249-E253 PolarHBondContact NE-OE1 3.42Å; R249-E253 IonicContact NH2-OE1 2.86Å; R249-E253 WeakPolarHBondContact O-CG 3.36Å; R249-E253 PolarHBondContact O-N 2.73Å |
| 250 | K | 79 | Confident | 83 | Confident | 144 Ų | 144 | 77.1 Ų | 77.1 | 63% | 0.626 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -58.7 | -41.5 | 177.9 | -77 | 178.9 | 179 | -177.3 | 0 | 111.1 | E246 E247 R252 E253 Q254 | E246-K250 WeakPolarHBondContact O-CG 3.42Å; E246-K250 PolarHBondContact O-N 2.95Å; E246-K250 VanDerWaalsContact O-N 3.15Å; E247-K250 PolarHBondContact O-N 3.46Å; K250-R252 PolarHBondContact O-N 3.29Å; K250-E253 PolarHBondContact O-N 3.48Å; K250-Q254 VanDerWaalsContact O-CB 3.29Å; K250-Q254 WeakPolarHBondContact O-CB 3.41Å; K250-Q254 PolarHBondContact O-N 2.97Å |
| 251 | R | 84.1 | Confident | 82.9 | Confident | 106 Ų | 106 | 78.8 Ų | 78.8 | 40% | 0.4 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.2 | -45 | 176.1 | -166.3 | -169.6 | 68.4 | 70.3 | 6.7 | 111.7 | E247 E248 R249 Q254 Q255 | E247-R251 WeakPolarHBondContact O-CB 3.33Å; E247-R251 PolarHBondContact O-N 3.01Å; E248-R251 VanDerWaalsContact CD-NH2 3.29Å; E248-R251 PolarHBondContact O-N 2.87Å; E248-R251 IonicContact OE1-CZ 3.63Å; E248-R251 IonicContact OE1-NE 3.78Å; E248-R251 IonicContact OE1-NH2 2.7Å; E248-R251 PolarHBondContact OE1-NH2 3.21Å; E248-R251 IonicContact OE2-CZ 3.34Å; E248-R251 IonicContact OE2-NE 2.72Å; E248-R251 PolarHBondContact OE2-NE 2.89Å; E248-R251 IonicContact OE2-NH2 3.17Å; E248-R251 PolarHBondContact OE2-NH2 3.36Å; R249-R251 VanDerWaalsContact C-N 3.27Å; R249-R251 PolarHBondContact O-N 3.19Å; R251-Q254 PolarHBondContact O-N 2.88Å; R251-Q255 WeakPolarHBondContact O-CB 3.34Å; R251-Q255 WeakPolarHBondContact O-CG 3.2Å; R251-Q255 PolarHBondContact O-N 3.48Å |
| 252 | R | 80.3 | Confident | 83 | Confident | 80 Ų | 80 | 82.7 Ų | 82.7 | 30% | 0.302 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.8 | -41.3 | 177.4 | -72.3 | 179.6 | -170.9 | -162.1 | 5.9 | 112.9 | E248 R249 K250 Q254 Q255 K256 | E248-R252 VanDerWaalsContact O-CG 3.32Å; E248-R252 WeakPolarHBondContact O-CG 3.07Å; E248-R252 PolarHBondContact O-N 3.13Å; E248-R252 IonicContact OE1-CZ 3.51Å; E248-R252 IonicContact OE1-NE 2.78Å; E248-R252 PolarHBondContact OE1-NE 2.68Å; E248-R252 IonicContact OE1-NH2 3.25Å; E248-R252 PolarHBondContact OE1-NH2 3.17Å; R249-R252 PolarHBondContact O-N 3.04Å; K250-R252 PolarHBondContact O-N 3.29Å; R252-Q254 VanDerWaalsContact C-N 3.33Å; R252-Q255 PolarHBondContact O-N 3.49Å; R252-K256 WeakPolarHBondContact O-CB 3.43Å; R252-K256 PolarHBondContact O-N 3.16Å |
| 253 | E | 78.4 | Confident | 83.1 | Confident | 91 Ų | 91 | 86.6 Ų | 86.6 | 43% | 0.425 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 175.8 | -73.4 | 173.7 | -176.5 | 0 | 0 | 110.7 | R249 K250 K256 L257 | R249-E253 IonicContact CZ-OE1 3.49Å; R249-E253 IonicContact NE-OE1 2.81Å; R249-E253 PolarHBondContact NE-OE1 3.42Å; R249-E253 IonicContact NH2-OE1 2.86Å; R249-E253 WeakPolarHBondContact O-CG 3.36Å; R249-E253 PolarHBondContact O-N 2.73Å; K250-E253 PolarHBondContact O-N 3.48Å; E253-K256 PolarHBondContact O-N 3.02Å; E253-L257 WeakPolarHBondContact O-CB 3.47Å; E253-L257 PolarHBondContact O-N 3.16Å |
| 254 | Q | 82.7 | Confident | 83.4 | Confident | 92 Ų | 92 | 84 Ų | 84 | 43% | 0.43 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 174.1 | -177.3 | 60.4 | 30.8 | 0 | 0 | 112.1 | K250 R251 R252 K256 L257 E258 | K250-Q254 VanDerWaalsContact O-CB 3.29Å; K250-Q254 WeakPolarHBondContact O-CB 3.41Å; K250-Q254 PolarHBondContact O-N 2.97Å; R251-Q254 PolarHBondContact O-N 2.88Å; R252-Q254 VanDerWaalsContact C-N 3.33Å; Q254-K256 VanDerWaalsContact C-N 3.3Å; Q254-K256 PolarHBondContact O-N 3.48Å; Q254-L257 WeakPolarHBondContact O-CB 3.41Å; Q254-L257 PolarHBondContact O-N 3.33Å; Q254-L257 VanDerWaalsContact O-N 3.17Å; Q254-E258 WeakPolarHBondContact CG-OE1 3.28Å; Q254-E258 PolarHBondContact NE2-OE1 3.11Å; Q254-E258 WeakPolarHBondContact O-CG 3.41Å; Q254-E258 PolarHBondContact O-N 3.5Å |
| 255 | Q | 86.5 | Confident | 83.9 | Confident | 97 Ų | 97 | 85.6 Ų | 85.6 | 45% | 0.453 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.4 | -36.8 | 176.5 | -77.9 | -173.8 | -28.8 | 0 | 0 | 113 | R251 R252 K259 | R251-Q255 WeakPolarHBondContact O-CB 3.34Å; R251-Q255 WeakPolarHBondContact O-CG 3.2Å; R251-Q255 PolarHBondContact O-N 3.48Å; R252-Q255 PolarHBondContact O-N 3.49Å; Q255-K259 WeakPolarHBondContact O-CB 3.35Å; Q255-K259 PolarHBondContact O-N 3.45Å |
| 256 | K | 82 | Confident | 84.4 | Confident | 91 Ų | 91 | 83.6 Ų | 83.6 | 40% | 0.396 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 175 | -177.5 | -178.1 | 174.7 | -175.5 | 0 | 111 | F162 R252 E253 Q254 K259 E260 | F162-K256 HydrophobicContact CD1-CD 4.26Å; F162-K256 HydrophobicContact CE1-CD 4.31Å; R252-K256 WeakPolarHBondContact O-CB 3.43Å; R252-K256 PolarHBondContact O-N 3.16Å; E253-K256 PolarHBondContact O-N 3.02Å; Q254-K256 VanDerWaalsContact C-N 3.3Å; Q254-K256 PolarHBondContact O-N 3.48Å; K256-K259 PolarHBondContact O-N 3Å; K256-E260 WeakPolarHBondContact O-CB 3.24Å; K256-E260 PolarHBondContact O-N 3.5Å |
| 257 | L | 83.6 | Confident | 85.3 | Confident | 61 Ų | 61 | 80.2 Ų | 80.2 | 32% | 0.319 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 176.5 | 177.8 | 62.1 | 0 | 0 | 0 | 111.4 | E253 Q254 K259 E260 Q261 | E253-L257 WeakPolarHBondContact O-CB 3.47Å; E253-L257 PolarHBondContact O-N 3.16Å; Q254-L257 WeakPolarHBondContact O-CB 3.41Å; Q254-L257 PolarHBondContact O-N 3.33Å; Q254-L257 VanDerWaalsContact O-N 3.17Å; L257-K259 PolarHBondContact O-N 3.42Å; L257-E260 PolarHBondContact O-N 2.96Å; L257-Q261 WeakPolarHBondContact O-CB 3.34Å; L257-Q261 PolarHBondContact O-N 3.35Å |
| 258 | E | 88.6 | Confident | 86 | Confident | 104 Ų | 104 | 72.5 Ų | 72.5 | 49% | 0.486 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 175.9 | -74.7 | 167 | -172.4 | 0 | 0 | 111.5 | Q254 Q261 E262 | Q254-E258 WeakPolarHBondContact CG-OE1 3.28Å; Q254-E258 PolarHBondContact NE2-OE1 3.11Å; Q254-E258 WeakPolarHBondContact O-CG 3.41Å; Q254-E258 PolarHBondContact O-N 3.5Å; E258-Q261 PolarHBondContact O-N 2.75Å; E258-E262 WeakPolarHBondContact O-CB 3.43Å; E258-E262 PolarHBondContact O-N 3.24Å |
| 259 | K | 88 | Confident | 86.8 | Confident | 132 Ų | 132 | 70.2 Ų | 70.2 | 57% | 0.574 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63 | -45.1 | 176.8 | -174.3 | -178.5 | 176.6 | -174.4 | 0 | 112.4 | Q255 K256 L257 E262 E263 | Q255-K259 WeakPolarHBondContact O-CB 3.35Å; Q255-K259 PolarHBondContact O-N 3.45Å; K256-K259 PolarHBondContact O-N 3Å; L257-K259 PolarHBondContact O-N 3.42Å; K259-E262 WeakPolarHBondContact O-CB 3.38Å; K259-E262 PolarHBondContact O-N 3.07Å; K259-E263 VanDerWaalsContact CE-OE1 3.26Å; K259-E263 WeakPolarHBondContact CE-OE1 3.26Å; K259-E263 WeakPolarHBondContact O-CG 3.34Å; K259-E263 PolarHBondContact O-N 3.46Å |
| 260 | E | 86.6 | Confident | 87.9 | Confident | 47 Ų | 47 | 67 Ų | 67 | 22% | 0.22 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 177.8 | -177.7 | 176.6 | -129.9 | 0 | 0 | 111.3 | T146 R150 K256 L257 E262 E263 L264 | T146-E260 VanDerWaalsContact CG2-CD 3.47Å; T146-E260 HydrophobicContact CG2-CG 3.74Å; T146-E260 WeakPolarHBondContact CG2-OE1 3.2Å; R150-E260 IonicContact CZ-OE2 3.73Å; R150-E260 IonicContact NE-OE2 3.17Å; R150-E260 IonicContact NH2-OE2 3.4Å; R150-E260 PolarHBondContact NH2-OE2 3.04Å; K256-E260 WeakPolarHBondContact O-CB 3.24Å; K256-E260 PolarHBondContact O-N 3.5Å; L257-E260 PolarHBondContact O-N 2.96Å; E260-E262 VanDerWaalsContact C-N 3.29Å; E260-E262 PolarHBondContact O-N 3.2Å; E260-E263 PolarHBondContact O-N 3.07Å; E260-L264 WeakPolarHBondContact O-CB 3.32Å; E260-L264 PolarHBondContact O-N 2.94Å |
| 261 | Q | 87.1 | Confident | 88.9 | Confident | 73 Ų | 73 | 60.2 Ų | 60.2 | 34% | 0.341 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.3 | -37.5 | 174.4 | -175.7 | 63.3 | 46.1 | 0 | 0 | 111.7 | L257 E258 L264 N265 | L257-Q261 WeakPolarHBondContact O-CB 3.34Å; L257-Q261 PolarHBondContact O-N 3.35Å; E258-Q261 PolarHBondContact O-N 2.75Å; Q261-L264 PolarHBondContact O-N 3.12Å; Q261-N265 PolarHBondContact NE2-OD1 3.39Å; Q261-N265 WeakPolarHBondContact O-CB 3.15Å; Q261-N265 PolarHBondContact O-N 3.42Å; Q261-N265 PolarHBondContact O-ND2 3.37Å |
| 262 | E | 89.6 | Confident | 89.5 | Confident | 82 Ų | 82 | 58.2 Ų | 58.2 | 38% | 0.383 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.2 | -44.3 | 176.2 | -164.2 | -172 | 132.8 | 0 | 0 | 111.8 | K9 E258 K259 E260 L264 N265 N266 | K9-E262 WeakPolarHBondContact CE-OE1 3.44Å; K9-E262 IonicContact NZ-OE1 2.68Å; K9-E262 PolarHBondContact NZ-OE1 3.15Å; K9-E262 IonicContact NZ-OE2 3.15Å; K9-E262 PolarHBondContact NZ-OE2 2.96Å; K9-E262 VanDerWaalsContact NZ-OE2 3.11Å; E258-E262 WeakPolarHBondContact O-CB 3.43Å; E258-E262 PolarHBondContact O-N 3.24Å; K259-E262 WeakPolarHBondContact O-CB 3.38Å; K259-E262 PolarHBondContact O-N 3.07Å; E260-E262 VanDerWaalsContact C-N 3.29Å; E260-E262 PolarHBondContact O-N 3.2Å; E262-L264 VanDerWaalsContact C-N 3.27Å; E262-L264 PolarHBondContact O-N 3.03Å; E262-N265 PolarHBondContact O-N 2.93Å; E262-N266 WeakPolarHBondContact O-CB 3.35Å; E262-N266 PolarHBondContact O-N 3.33Å; E262-N266 PolarHBondContact O-ND2 2.93Å |
| 263 | E | 90.1 | Very high | 90.4 | Very high | 88 Ų | 88 | 54.4 Ų | 54.4 | 41% | 0.411 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.7 | -41.8 | 174.9 | -75.1 | 174.8 | -173.2 | 0 | 0 | 111.5 | K259 E260 N266 A267 | K259-E263 VanDerWaalsContact CE-OE1 3.26Å; K259-E263 WeakPolarHBondContact CE-OE1 3.26Å; K259-E263 WeakPolarHBondContact O-CG 3.34Å; K259-E263 PolarHBondContact O-N 3.46Å; E260-E263 PolarHBondContact O-N 3.07Å; E263-N266 PolarHBondContact O-N 3.06Å; E263-A267 PolarHBondContact O-N 2.9Å |
| 264 | L | 89.9 | Confident | 91.4 | Very high | 10 Ų | 10 | 50.1 Ų | 50.1 | 5% | 0.052 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.2 | -45.8 | 175.2 | -178.1 | 57.9 | 0 | 0 | 0 | 112 | L142 R143 E260 Q261 E262 N266 A267 V268 | L142-L264 HydrophobicContact CB-CD1 4.23Å; L142-L264 HydrophobicContact CD2-CD1 3.58Å; L142-L264 HydrophobicContact CG-CD1 3.64Å; R143-L264 HydrophobicContact CG-CD1 4.27Å; R143-L264 HydrophobicContact CG-CD2 3.97Å; R143-L264 HydrophobicContact CG-CG 4.45Å; E260-L264 WeakPolarHBondContact O-CB 3.32Å; E260-L264 PolarHBondContact O-N 2.94Å; Q261-L264 PolarHBondContact O-N 3.12Å; E262-L264 VanDerWaalsContact C-N 3.27Å; E262-L264 PolarHBondContact O-N 3.03Å; L264-N266 VanDerWaalsContact C-N 3.27Å; L264-N266 PolarHBondContact O-N 3.19Å; L264-A267 WeakPolarHBondContact O-CB 3.24Å; L264-A267 PolarHBondContact O-N 3.45Å; L264-A267 VanDerWaalsContact O-N 3.11Å; L264-V268 WeakPolarHBondContact O-CG2 3.35Å; L264-V268 PolarHBondContact O-N 3.38Å; L264-V268 VanDerWaalsContact O-N 3.08Å |
| 265 | N | 92.1 | Very high | 92.1 | Very high | 43 Ų | 43 | 48 Ų | 48 | 23% | 0.23 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.8 | -32.2 | 176.2 | -70.7 | -18.2 | 0 | 0 | 0 | 112.5 | R143 Q261 E262 A267 G269 R272 | R143-N265 PolarHBondContact NH2-OD1 2.83Å; Q261-N265 PolarHBondContact NE2-OD1 3.39Å; Q261-N265 WeakPolarHBondContact O-CB 3.15Å; Q261-N265 PolarHBondContact O-N 3.42Å; Q261-N265 PolarHBondContact O-ND2 3.37Å; E262-N265 PolarHBondContact O-N 2.93Å; N265-A267 VanDerWaalsContact C-N 3.35Å; N265-G269 PolarHBondContact O-N 3.29Å; N265-G269 VanDerWaalsContact O-N 3.14Å; N265-R272 WeakPolarHBondContact O-CD 3.31Å |
| 266 | N | 92.6 | Very high | 92.7 | Very high | 60 Ų | 60 | 44.3 Ų | 44.3 | 32% | 0.321 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -71.1 | -31.5 | 173.7 | -69.9 | -23.6 | 0 | 0 | 0 | 111.6 | P132 E262 E263 L264 G269 | P132-N266 VanDerWaalsContact CG-O 3.23Å; P132-N266 WeakPolarHBondContact CG-O 3.4Å; E262-N266 WeakPolarHBondContact O-CB 3.35Å; E262-N266 PolarHBondContact O-N 3.33Å; E262-N266 PolarHBondContact O-ND2 2.93Å; E263-N266 PolarHBondContact O-N 3.06Å; L264-N266 VanDerWaalsContact C-N 3.27Å; L264-N266 PolarHBondContact O-N 3.19Å; N266-G269 PolarHBondContact O-N 2.83Å |
| 267 | A | 93.8 | Very high | 93.5 | Very high | 6 Ų | 6 | 40.1 Ų | 40.1 | 5% | 0.05 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.3 | -47.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | F97 L134 L142 E263 L264 N265 G269 | F97-A267 HydrophobicContact CB-CB 4.44Å; F97-A267 HydrophobicContact CD2-CB 3.39Å; F97-A267 HydrophobicContact CE2-CB 3.73Å; F97-A267 HydrophobicContact CG-CB 3.98Å; L134-A267 HydrophobicContact CD1-CB 3.95Å; L142-A267 HydrophobicContact CD2-CB 3.96Å; E263-A267 PolarHBondContact O-N 2.9Å; L264-A267 WeakPolarHBondContact O-CB 3.24Å; L264-A267 PolarHBondContact O-N 3.45Å; L264-A267 VanDerWaalsContact O-N 3.11Å; N265-A267 VanDerWaalsContact C-N 3.35Å; A267-G269 PolarHBondContact O-N 3.47Å |
| 268 | V | 95.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.1 | -36.1 | 174.2 | -179 | 0 | 0 | 0 | 0 | 111 | Y133 L134 E139 L264 F270 S271 R272 | Y133-V268 WeakPolarHBondContact CA-O 3.49Å; L134-V268 HydrophobicContact CD1-CG2 4.36Å; E139-V268 HydrophobicContact CB-CG2 4.19Å; E139-V268 VanDerWaalsContact CD-CG2 3.46Å; E139-V268 HydrophobicContact CG-CG2 3.63Å; E139-V268 WeakPolarHBondContact OE2-CG1 3.47Å; L264-V268 WeakPolarHBondContact O-CG2 3.35Å; L264-V268 PolarHBondContact O-N 3.38Å; L264-V268 VanDerWaalsContact O-N 3.08Å; V268-F270 PolarHBondContact O-N 3.06Å; V268-S271 PolarHBondContact O-N 3.46Å; V268-R272 HydrophobicContact CB-CG 4.28Å; V268-R272 HydrophobicContact CG1-CG 3.78Å |
| 269 | G | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | 51.9 | -120.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | F8 P132 N265 N266 A267 S271 R272 | F8-G269 WeakPolarHBondContact CE1-O 3.48Å; F8-G269 VanDerWaalsContact CZ-O 3.29Å; F8-G269 WeakPolarHBondContact CZ-O 3.38Å; P132-G269 CarbonylContact O-C 3.59Å; P132-G269 VanDerWaalsContact O-CA 3.29Å; P132-G269 WeakPolarHBondContact O-CA 3.42Å; N265-G269 PolarHBondContact O-N 3.29Å; N265-G269 VanDerWaalsContact O-N 3.14Å; N266-G269 PolarHBondContact O-N 2.83Å; A267-G269 PolarHBondContact O-N 3.47Å; G269-S271 VanDerWaalsContact C-N 3.29Å; G269-S271 PolarHBondContact O-N 3.45Å; G269-R272 VanDerWaalsContact O-CB 3.29Å; G269-R272 WeakPolarHBondContact O-CB 3.2Å; G269-R272 VanDerWaalsContact O-CG 3.32Å; G269-R272 WeakPolarHBondContact O-CG 3.4Å; G269-R272 PolarHBondContact O-N 3.27Å |
| 270 | F | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -28.8 | -172.2 | -177.4 | -109.1 | 0 | 0 | 0 | 114.3 | F8 F69 F90 V92 I131 P132 V268 R272 V273 I274 F300 | F8-F270 HydrophobicContact CE2-CD2 4.38Å; F69-F270 HydrophobicContact CB-CE1 4.02Å; F69-F270 HydrophobicContact CB-CE2 4.47Å; F69-F270 HydrophobicContact CB-CZ 3.62Å; F69-F270 HydrophobicContact CD1-CE1 4.44Å; F69-F270 HydrophobicContact CD1-CE2 4.42Å; F69-F270 AromaticContact CD1-CZ 3.58Å; F69-F270 HydrophobicContact CD1-CZ 3.58Å; F69-F270 HydrophobicContact CD2-CE1 4.42Å; F69-F270 HydrophobicContact CD2-CZ 4.31Å; F69-F270 HydrophobicContact CE1-CZ 4.24Å; F69-F270 HydrophobicContact CG-CE1 4.06Å; F69-F270 AromaticContact CG-CZ 3.58Å; F69-F270 HydrophobicContact CG-CZ 3.58Å; F90-F270 HydrophobicContact CB-CD2 3.81Å; F90-F270 HydrophobicContact CB-CE2 3.42Å; F90-F270 VanDerWaalsContact CB-CE2 3.42Å; F90-F270 HydrophobicContact CB-CZ 4.11Å; F90-F270 AromaticContact CD1-CD2 3.91Å; F90-F270 HydrophobicContact CD1-CD2 3.91Å; F90-F270 AromaticContact CD1-CE2 3.7Å; F90-F270 HydrophobicContact CD1-CE2 3.7Å; F90-F270 AromaticContact CD2-CE2 3.65Å; F90-F270 HydrophobicContact CD2-CE2 3.65Å; F90-F270 HydrophobicContact CD2-CZ 4.29Å; F90-F270 HydrophobicContact CE1-CE2 4.34Å; F90-F270 HydrophobicContact CE2-CE2 4.28Å; F90-F270 AromaticContact CG-CD2 3.89Å; F90-F270 HydrophobicContact CG-CD2 3.89Å; F90-F270 AromaticContact CG-CE2 3.31Å; F90-F270 HydrophobicContact CG-CE2 3.31Å; F90-F270 HydrophobicContact CG-CZ 4.23Å; V92-F270 HydrophobicContact CG1-CB 3.72Å; V92-F270 HydrophobicContact CG1-CD1 3.58Å; V92-F270 HydrophobicContact CG1-CD2 3.91Å; V92-F270 HydrophobicContact CG1-CE1 4.14Å; V92-F270 HydrophobicContact CG1-CE2 4.48Å; V92-F270 HydrophobicContact CG1-CG 3.42Å; V92-F270 VanDerWaalsContact CG1-CG 3.42Å; I131-F270 HydrophobicContact CB-CB 4.45Å; I131-F270 HydrophobicContact CG2-CB 3.96Å; P132-F270 PolarHBondContact O-N 3.37Å; V268-F270 PolarHBondContact O-N 3.06Å; F270-R272 PolarHBondContact O-N 3.08Å; F270-V273 HydrophobicContact CD2-CB 4.13Å; F270-V273 HydrophobicContact CD2-CG2 4.05Å; F270-V273 HydrophobicContact CE2-CB 3.85Å; F270-V273 HydrophobicContact CE2-CG1 4.09Å; F270-V273 HydrophobicContact CE2-CG2 4.09Å; F270-V273 HydrophobicContact CZ-CB 4.45Å; F270-V273 WeakPolarHBondContact O-CB 3.32Å; F270-V273 PolarHBondContact O-N 2.94Å; F270-I274 HydrophobicContact CD1-CG1 4.3Å; F270-I274 HydrophobicContact CE1-CD1 3.72Å; F270-I274 HydrophobicContact CE1-CG1 3.88Å; F270-I274 HydrophobicContact CZ-CD1 3.96Å; F270-I274 HydrophobicContact CZ-CG1 4.43Å; F270-F300 AromaticContact CD1-CD1 3.88Å; F270-F300 HydrophobicContact CD1-CD1 3.88Å; F270-F300 HydrophobicContact CD1-CD2 4.4Å; F270-F300 AromaticContact CD1-CE1 3.57Å; F270-F300 HydrophobicContact CD1-CE1 3.57Å; F270-F300 HydrophobicContact CD1-CE2 4.17Å; F270-F300 HydrophobicContact CD1-CG 4.29Å; F270-F300 AromaticContact CD1-CZ 3.74Å; F270-F300 HydrophobicContact CD1-CZ 3.74Å; F270-F300 HydrophobicContact CE1-CD2 4.31Å; F270-F300 HydrophobicContact CE1-CE1 4.22Å; F270-F300 AromaticContact CE1-CE2 3.99Å; F270-F300 HydrophobicContact CE1-CE2 3.99Å; F270-F300 AromaticContact CE1-CZ 3.93Å; F270-F300 HydrophobicContact CE1-CZ 3.93Å |
| 271 | S | 98.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.4 | -22 | 177 | -51.4 | 0 | 0 | 0 | 0 | 112.7 | L134 V268 G269 V273 I274 N275 | L134-S271 VanDerWaalsContact O-CB 3.28Å; L134-S271 WeakPolarHBondContact O-CB 3.38Å; L134-S271 PolarHBondContact O-OG 2.94Å; V268-S271 PolarHBondContact O-N 3.46Å; G269-S271 VanDerWaalsContact C-N 3.29Å; G269-S271 PolarHBondContact O-N 3.45Å; S271-V273 VanDerWaalsContact C-N 3.28Å; S271-V273 PolarHBondContact O-N 3.03Å; S271-I274 PolarHBondContact O-N 3.16Å; S271-N275 WeakPolarHBondContact O-CB 3.47Å; S271-N275 VanDerWaalsContact O-CG 3.27Å; S271-N275 PolarHBondContact O-N 3.19Å; S271-N275 PolarHBondContact O-ND2 3.47Å |
| 272 | R | 98.3 | Very high | 96.2 | Very high | 63 Ų | 63 | 34.5 Ų | 34.5 | 24% | 0.238 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.3 | -28.9 | 172.5 | -62 | 179 | 60.4 | -166.7 | -2.3 | 113.7 | L12 Y16 N265 V268 G269 F270 A276 | L12-R272 VanDerWaalsContact CD2-NH1 3.3Å; L12-R272 VanDerWaalsContact CD2-NH2 3.25Å; Y16-R272 WeakPolarHBondContact OH-CB 3.46Å; Y16-R272 PolarHBondContact OH-NE 3.41Å; Y16-R272 PolarHBondContact OH-O 3.39Å; N265-R272 WeakPolarHBondContact O-CD 3.31Å; V268-R272 HydrophobicContact CB-CG 4.28Å; V268-R272 HydrophobicContact CG1-CG 3.78Å; G269-R272 VanDerWaalsContact O-CB 3.29Å; G269-R272 WeakPolarHBondContact O-CB 3.2Å; G269-R272 VanDerWaalsContact O-CG 3.32Å; G269-R272 WeakPolarHBondContact O-CG 3.4Å; G269-R272 PolarHBondContact O-N 3.27Å; F270-R272 PolarHBondContact O-N 3.08Å; R272-A276 PolarHBondContact O-N 3.4Å |
| 273 | V | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -74.8 | -46.5 | 174.7 | 179.7 | 0 | 0 | 0 | 0 | 109.5 | F8 L12 V15 I19 L71 F90 F270 S271 N275 A276 I277 | F8-V273 HydrophobicContact CE2-CG2 3.72Å; F8-V273 HydrophobicContact CZ-CG2 3.93Å; L12-V273 HydrophobicContact CD1-CG2 3.97Å; V15-V273 HydrophobicContact CG1-CG1 4.02Å; V15-V273 HydrophobicContact CG1-CG2 4.21Å; I19-V273 HydrophobicContact CD1-CG1 4.24Å; L71-V273 HydrophobicContact CD2-CG1 4.49Å; F90-V273 HydrophobicContact CE1-CG2 4.22Å; F90-V273 HydrophobicContact CE2-CG1 4.45Å; F90-V273 HydrophobicContact CZ-CG1 4.3Å; F90-V273 HydrophobicContact CZ-CG2 4.43Å; F270-V273 HydrophobicContact CD2-CB 4.13Å; F270-V273 HydrophobicContact CD2-CG2 4.05Å; F270-V273 HydrophobicContact CE2-CB 3.85Å; F270-V273 HydrophobicContact CE2-CG1 4.09Å; F270-V273 HydrophobicContact CE2-CG2 4.09Å; F270-V273 HydrophobicContact CZ-CB 4.45Å; F270-V273 WeakPolarHBondContact O-CB 3.32Å; F270-V273 PolarHBondContact O-N 2.94Å; S271-V273 VanDerWaalsContact C-N 3.28Å; S271-V273 PolarHBondContact O-N 3.03Å; V273-N275 VanDerWaalsContact C-N 3.3Å; V273-N275 PolarHBondContact O-N 2.86Å; V273-A276 WeakPolarHBondContact O-CA 3.2Å; V273-A276 WeakPolarHBondContact O-CB 3.35Å; V273-A276 PolarHBondContact O-N 2.78Å; V273-I277 HydrophobicContact CG1-CD1 4.23Å; V273-I277 WeakPolarHBondContact O-CG1 3.48Å; V273-I277 PolarHBondContact O-N 2.64Å |
| 274 | I | 98.7 | Very high | 97.1 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.5 | -44.5 | 175.5 | -57.4 | -52.6 | 0 | 0 | 0 | 111 | F69 F270 S271 A276 I277 S278 T296 F300 V318 | F69-I274 HydrophobicContact CE1-CD1 4.41Å; F69-I274 HydrophobicContact CE2-CD1 4.13Å; F69-I274 HydrophobicContact CZ-CD1 3.95Å; F270-I274 HydrophobicContact CD1-CG1 4.3Å; F270-I274 HydrophobicContact CE1-CD1 3.72Å; F270-I274 HydrophobicContact CE1-CG1 3.88Å; F270-I274 HydrophobicContact CZ-CD1 3.96Å; F270-I274 HydrophobicContact CZ-CG1 4.43Å; S271-I274 PolarHBondContact O-N 3.16Å; I274-A276 VanDerWaalsContact C-N 3.28Å; I274-A276 PolarHBondContact O-N 3.07Å; I274-I277 HydrophobicContact CD1-CD1 4.46Å; I274-I277 PolarHBondContact O-N 3.04Å; I274-S278 PolarHBondContact O-N 2.81Å; I274-T296 HydrophobicContact CD1-CG2 3.74Å; I274-T296 HydrophobicContact CG1-CG2 4.21Å; I274-T296 HydrophobicContact CG2-CG2 4.05Å; I274-F300 HydrophobicContact CB-CB 4.29Å; I274-F300 HydrophobicContact CD1-CD2 4.33Å; I274-F300 HydrophobicContact CG1-CB 3.89Å; I274-F300 HydrophobicContact CG1-CD2 3.82Å; I274-F300 HydrophobicContact CG1-CG 3.92Å; I274-F300 HydrophobicContact CG2-CB 4.41Å; I274-V318 HydrophobicContact CG2-CG1 4Å |
| 275 | N | 98.1 | Very high | 97.5 | Very high | 47 Ų | 47 | 26.2 Ų | 26.2 | 25% | 0.251 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -60.5 | -35.1 | 174.6 | -76.5 | -26.7 | 0 | 0 | 0 | 113.1 | S271 V273 K279 | S271-N275 WeakPolarHBondContact O-CB 3.47Å; S271-N275 VanDerWaalsContact O-CG 3.27Å; S271-N275 PolarHBondContact O-N 3.19Å; S271-N275 PolarHBondContact O-ND2 3.47Å; V273-N275 VanDerWaalsContact C-N 3.3Å; V273-N275 PolarHBondContact O-N 2.86Å; N275-K279 WeakPolarHBondContact O-CB 3.2Å; N275-K279 WeakPolarHBondContact O-CG 3.49Å; N275-K279 PolarHBondContact O-N 2.93Å |
| 276 | A | 98.6 | Very high | 97.8 | Very high | 20 Ų | 20 | 24.2 Ų | 24.2 | 17% | 0.165 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -72.1 | -39.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | Y16 I19 R272 V273 I274 S280 | Y16-A276 HydrophobicContact CD1-CB 3.65Å; Y16-A276 HydrophobicContact CE1-CB 3.53Å; I19-A276 HydrophobicContact CD1-CB 4.04Å; R272-A276 PolarHBondContact O-N 3.4Å; V273-A276 WeakPolarHBondContact O-CA 3.2Å; V273-A276 WeakPolarHBondContact O-CB 3.35Å; V273-A276 PolarHBondContact O-N 2.78Å; I274-A276 VanDerWaalsContact C-N 3.28Å; I274-A276 PolarHBondContact O-N 3.07Å; A276-S280 WeakPolarHBondContact O-CB 3.21Å; A276-S280 PolarHBondContact O-N 2.79Å; A276-S280 VanDerWaalsContact O-N 3.07Å |
| 277 | I | 98.7 | Very high | 98.1 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.2 | -51.9 | 173.4 | -65.4 | 172.3 | 0 | 0 | 0 | 109.9 | I19 L25 F69 L71 V273 I274 K279 S280 V284 F319 | I19-I277 HydrophobicContact CD1-CG1 3.85Å; I19-I277 HydrophobicContact CG1-CG1 4.46Å; L25-I277 HydrophobicContact CD1-CB 4.32Å; L25-I277 HydrophobicContact CD1-CG1 4.06Å; L25-I277 HydrophobicContact CD1-CG2 3.8Å; F69-I277 HydrophobicContact CE1-CD1 4.2Å; F69-I277 HydrophobicContact CZ-CD1 4.35Å; L71-I277 HydrophobicContact CD1-CD1 4.19Å; L71-I277 HydrophobicContact CD2-CD1 4.42Å; V273-I277 HydrophobicContact CG1-CD1 4.23Å; V273-I277 WeakPolarHBondContact O-CG1 3.48Å; V273-I277 PolarHBondContact O-N 2.64Å; I274-I277 HydrophobicContact CD1-CD1 4.46Å; I274-I277 PolarHBondContact O-N 3.04Å; I277-K279 PolarHBondContact O-N 2.97Å; I277-S280 WeakPolarHBondContact O-CB 3.33Å; I277-S280 PolarHBondContact O-N 3.36Å; I277-S280 VanDerWaalsContact O-N 3.16Å; I277-S280 PolarHBondContact O-OG 2.9Å; I277-V284 HydrophobicContact CG2-CG2 3.77Å; I277-F319 HydrophobicContact CG2-CD1 4.17Å; I277-F319 HydrophobicContact CG2-CE1 3.89Å |
| 278 | S | 98.3 | Very high | 98.3 | Very high | 26 Ų | 26 | 24.7 Ų | 24.7 | 18% | 0.182 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -55.8 | -52.2 | 178.1 | 167.9 | 0 | 0 | 0 | 0 | 112 | I274 S280 G281 C317 V318 | I274-S278 PolarHBondContact O-N 2.81Å; S278-S280 PolarHBondContact O-N 2.98Å; S278-G281 PolarHBondContact O-N 2.89Å; S278-C317 PolarHBondContact OG-O 3.43Å; S278-V318 WeakPolarHBondContact CA-O 3.49Å; S278-V318 WeakPolarHBondContact CB-O 3.49Å; S278-V318 PolarHBondContact OG-O 2.84Å |
| 279 | K | 98.2 | Very high | 98.4 | Very high | 175 Ų | 175 | 24.7 Ų | 24.7 | 76% | 0.761 | 13% | 0.129 | S | C | * | . | H | α-helix | trans | -63.4 | -24.4 | 179.9 | -73.5 | 174.2 | -176.4 | 178.9 | 0 | 113.9 | N275 I277 G281 | N275-K279 WeakPolarHBondContact O-CB 3.2Å; N275-K279 WeakPolarHBondContact O-CG 3.49Å; N275-K279 PolarHBondContact O-N 2.93Å; I277-K279 PolarHBondContact O-N 2.97Å; K279-G281 PolarHBondContact O-N 3.08Å |
| 280 | S | 98.3 | Very high | 98.4 | Very high | 38 Ų | 38 | 25.4 Ų | 25.4 | 27% | 0.266 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -66.8 | -27.1 | 179 | 80.2 | 0 | 0 | 0 | 0 | 112.7 | A276 I277 S278 K282 | A276-S280 WeakPolarHBondContact O-CB 3.21Å; A276-S280 PolarHBondContact O-N 2.79Å; A276-S280 VanDerWaalsContact O-N 3.07Å; I277-S280 WeakPolarHBondContact O-CB 3.33Å; I277-S280 PolarHBondContact O-N 3.36Å; I277-S280 VanDerWaalsContact O-N 3.16Å; I277-S280 PolarHBondContact O-OG 2.9Å; S278-S280 PolarHBondContact O-N 2.98Å; S280-K282 PolarHBondContact O-N 3.18Å; S280-K282 VanDerWaalsContact O-N 3.08Å; S280-K282 PolarHBondContact OG-N 3.32Å |
| 281 | G | 97.8 | Very high | 98.4 | Very high | 22 Ų | 22 | 27 Ų | 27 | 23% | 0.227 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 14.7 | -175 | 0 | 0 | 0 | 0 | 0 | 114.5 | S278 K279 | S278-G281 PolarHBondContact O-N 2.89Å; K279-G281 PolarHBondContact O-N 3.08Å |
| 282 | K | 98.4 | Very high | 98.4 | Very high | 39 Ų | 39 | 27.3 Ų | 27.3 | 17% | 0.17 | 14% | 0.143 | C | C | . | . | trans | -78 | 160.8 | -179 | -65.4 | -179 | -177 | -174 | 0 | 110.9 | I19 E20 A22 S280 V284 | I19-K282 WeakPolarHBondContact O-CE 3.41Å; I19-K282 PolarHBondContact O-NZ 2.9Å; E20-K282 PolarHBondContact O-NZ 3.31Å; A22-K282 HydrophobicContact CB-CD 4.45Å; A22-K282 WeakPolarHBondContact O-CD 3.36Å; A22-K282 VanDerWaalsContact O-CE 3.25Å; A22-K282 WeakPolarHBondContact O-CE 3.5Å; A22-K282 PolarHBondContact O-NZ 2.79Å; S280-K282 PolarHBondContact O-N 3.18Å; S280-K282 VanDerWaalsContact O-N 3.08Å; S280-K282 PolarHBondContact OG-N 3.32Å; K282-V284 PolarHBondContact O-N 3.36Å | ||
| 283 | L | 98.8 | Very high | 98.4 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 128.2 | 172.7 | 178.4 | 65.5 | 0 | 0 | 0 | 109.4 | F24 L25 V285 R321 L323 F390 P410 F419 | F24-L283 WeakPolarHBondContact CA-O 3.5Å; F24-L283 HydrophobicContact CB-CB 3.96Å; F24-L283 HydrophobicContact CB-CD2 4.41Å; F24-L283 HydrophobicContact CB-CG 4.44Å; F24-L283 WeakPolarHBondContact CB-O 3.36Å; L25-L283 PolarHBondContact N-O 3.17Å; L283-V285 HydrophobicContact CD2-CG2 3.94Å; L283-V285 HydrophobicContact CG-CG2 3.94Å; L283-R321 HydrophobicContact CD1-CB 4.02Å; L283-L323 HydrophobicContact CD1-CB 3.87Å; L283-F390 HydrophobicContact CD2-CE1 4.1Å; L283-F390 HydrophobicContact CD2-CE2 4.2Å; L283-F390 HydrophobicContact CD2-CZ 3.64Å; L283-P410 HydrophobicContact CD2-CB 4.02Å; L283-F419 HydrophobicContact CD1-CD1 3.85Å; L283-F419 HydrophobicContact CD1-CE1 3.63Å; L283-F419 HydrophobicContact CD1-CZ 4.47Å; L283-F419 HydrophobicContact CD2-CE1 4.03Å; L283-F419 HydrophobicContact CG-CE1 4.43Å |
| 284 | V | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.012 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 119.4 | 172 | -179.9 | 0 | 0 | 0 | 0 | 108.2 | L25 I27 I277 K282 M289 F319 R321 L322 L323 | L25-V284 HydrophobicContact CB-CG2 4.49Å; L25-V284 HydrophobicContact CD1-CG2 4.34Å; L25-V284 CarbonylContact O-C 3.55Å; L25-V284 WeakPolarHBondContact O-CA 3.28Å; I27-V284 HydrophobicContact CB-CG1 4.49Å; I27-V284 HydrophobicContact CD1-CG1 3.57Å; I27-V284 HydrophobicContact CG1-CG1 3.67Å; I27-V284 HydrophobicContact CG2-CG1 4.06Å; I277-V284 HydrophobicContact CG2-CG2 3.77Å; K282-V284 PolarHBondContact O-N 3.36Å; V284-M289 HydrophobicContact CG1-CE 4.32Å; V284-F319 HydrophobicContact CB-CD1 4.34Å; V284-F319 HydrophobicContact CG1-CD1 4.31Å; V284-F319 HydrophobicContact CG1-CE1 4.35Å; V284-F319 HydrophobicContact CG2-CD1 3.94Å; V284-F319 HydrophobicContact CG2-CE1 4.42Å; V284-R321 PolarHBondContact N-O 3.11Å; V284-L322 HydrophobicContact CB-CD2 4.2Å; V284-L322 HydrophobicContact CG1-CD2 4.28Å; V284-L322 CarbonylContact O-C 3.58Å; V284-L322 VanDerWaalsContact O-CA 3.29Å; V284-L322 WeakPolarHBondContact O-CA 3.06Å; V284-L323 PolarHBondContact O-N 3.47Å |
| 285 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 137.2 | -177.5 | -175.9 | 0 | 0 | 0 | 0 | 108.9 | F24 L25 A26 I27 L283 L323 T325 T386 F390 | F24-V285 HydrophobicContact CD2-CB 4.49Å; F24-V285 HydrophobicContact CD2-CG2 3.68Å; F24-V285 HydrophobicContact CE2-CG2 4.1Å; L25-V285 PolarHBondContact O-N 3.25Å; A26-V285 CarbonylContact C-O 3.15Å; A26-V285 WeakPolarHBondContact CA-O 3.25Å; A26-V285 HydrophobicContact CB-CB 4.35Å; I27-V285 PolarHBondContact N-O 3.11Å; L283-V285 HydrophobicContact CD2-CG2 3.94Å; L283-V285 HydrophobicContact CG-CG2 3.94Å; V285-L323 WeakPolarHBondContact CA-O 3.38Å; V285-L323 HydrophobicContact CG1-CD2 4.06Å; V285-T325 HydrophobicContact CG1-CG2 3.51Å; V285-T386 HydrophobicContact CG1-CG2 3.84Å; V285-F390 HydrophobicContact CG1-CB 3.87Å; V285-F390 HydrophobicContact CG1-CG 4.23Å; V285-F390 HydrophobicContact CG2-CD1 4.04Å; V285-F390 HydrophobicContact CG2-CE1 4.37Å; V285-F390 HydrophobicContact CG2-CG 4.1Å |
| 286 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 178.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | M289 L323 D324 T325 | G286-M289 WeakPolarHBondContact CA-SD 3.21Å; G286-M289 PolarHBondContact N-SD 2.69Å; G286-M289 VanDerWaalsContact N-SD 3.36Å; G286-L323 PolarHBondContact N-O 2.81Å; G286-D324 WeakPolarHBondContact O-CA 3.45Å; G286-T325 PolarHBondContact O-N 3.28Å; G286-T325 PolarHBondContact O-OG1 2.91Å; G286-T325 VanDerWaalsContact O-OG1 3.08Å |
| 287 | H | 98.6 | Very high | 98.5 | Very high | 22 Ų | 22 | 21.1 Ų | 21.1 | 10% | 0.102 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -127.3 | 114.2 | 176.6 | -175.6 | 86.2 | 0 | 0 | 0 | 109.5 | M289 T325 T341 L343 T386 | H287-M289 VanDerWaalsContact C-N 3.27Å; H287-M289 PolarHBondContact O-N 2.61Å; H287-T325 WeakPolarHBondContact CA-OG1 3.27Å; H287-T325 WeakPolarHBondContact CB-OG1 3.46Å; H287-T325 PolarHBondContact ND1-OG1 3.43Å; H287-T341 PolarHBondContact CE1-O 2.9Å; H287-T341 PolarHBondContact NE2-O 3.14Å; H287-T341 VanDerWaalsContact NE2-O 3.11Å; H287-L343 HydrophobicContact CB-CD1 4.19Å; H287-L343 PolarHBondContact NE2-N 2.92Å; H287-T386 HydrophobicContact CB-CG2 4.15Å |
| 288 | N | 97.3 | Very high | 98.5 | Very high | 54 Ų | 54 | 23.8 Ų | 23.8 | 29% | 0.289 | 12% | 0.124 | S | C | . | . | S | Bend | trans | 56.1 | 43 | -173.2 | -167.2 | 25.5 | 0 | 0 | 0 | 112.6 | L290 D324 K326 F423 | N288-L290 VanDerWaalsContact C-N 3.27Å; N288-L290 PolarHBondContact O-N 2.92Å; N288-L290 VanDerWaalsContact O-N 3.11Å; N288-D324 VanDerWaalsContact CA-OD2 3.29Å; N288-D324 WeakPolarHBondContact CA-OD2 3.29Å; N288-D324 PolarHBondContact N-OD1 3Å; N288-D324 PolarHBondContact N-OD2 2.88Å; N288-K326 HydrophobicContact CB-CB 4.41Å; N288-K326 HydrophobicContact CB-CD 3.67Å; N288-F423 WeakPolarHBondContact OD1-CD1 3.47Å |
| 289 | M | 98.4 | Very high | 98.5 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 17.4 | -155.6 | 70.4 | -175.6 | -56.5 | 0 | 0 | 115.2 | I27 V284 G286 H287 L291 D292 V293 L322 D324 L422 | I27-M289 HydrophobicContact CD1-CE 3.86Å; I27-M289 HydrophobicContact CG1-CE 3.95Å; V284-M289 HydrophobicContact CG1-CE 4.32Å; G286-M289 WeakPolarHBondContact CA-SD 3.21Å; G286-M289 PolarHBondContact N-SD 2.69Å; G286-M289 VanDerWaalsContact N-SD 3.36Å; H287-M289 VanDerWaalsContact C-N 3.27Å; H287-M289 PolarHBondContact O-N 2.61Å; M289-L291 PolarHBondContact O-N 3.43Å; M289-D292 VanDerWaalsContact CA-OD2 3.26Å; M289-D292 WeakPolarHBondContact CA-OD2 3.28Å; M289-D292 HydrophobicContact CB-CB 4.3Å; M289-D292 PolarHBondContact O-N 3.41Å; M289-V293 HydrophobicContact CE-CG2 3.86Å; M289-V293 HydrophobicContact CG-CG2 4.27Å; M289-V293 WeakPolarHBondContact O-CG2 3.34Å; M289-V293 PolarHBondContact O-N 2.89Å; M289-L322 HydrophobicContact CE-CD2 3.52Å; M289-L322 HydrophobicContact SD-CD2 4.07Å; M289-D324 HydrophobicContact CG-CB 4.44Å; M289-D324 PolarHBondContact N-OD2 2.78Å; M289-L422 HydrophobicContact CG-CD2 3.56Å; M289-L422 HydrophobicContact SD-CD2 4Å |
| 290 | L | 98.1 | Very high | 98.5 | Very high | 15 Ų | 15 | 15 Ų | 15 | 8% | 0.079 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62 | -45.5 | -176.2 | 178.1 | 60.1 | 0 | 0 | 0 | 111.4 | L57 N288 M294 L422 L424 L433 | L57-L290 HydrophobicContact CD1-CD2 3.63Å; L57-L290 HydrophobicContact CD1-CG 4.24Å; N288-L290 VanDerWaalsContact C-N 3.27Å; N288-L290 PolarHBondContact O-N 2.92Å; N288-L290 VanDerWaalsContact O-N 3.11Å; L290-M294 HydrophobicContact CD1-CG 4.38Å; L290-M294 HydrophobicContact CD1-SD 4.24Å; L290-M294 HydrophobicContact CG-SD 4.16Å; L290-M294 WeakPolarHBondContact O-CB 3.2Å; L290-M294 VanDerWaalsContact O-CG 3.24Å; L290-M294 WeakPolarHBondContact O-CG 3.39Å; L290-M294 PolarHBondContact O-N 2.93Å; L290-L422 HydrophobicContact CD1-CB 4.49Å; L290-L422 HydrophobicContact CD1-CD1 3.81Å; L290-L424 HydrophobicContact CD2-CD2 3.97Å; L290-L433 HydrophobicContact CD1-CD2 3.91Å |
| 291 | L | 98 | Very high | 98.4 | Very high | 33 Ų | 33 | 15.7 Ų | 15.7 | 17% | 0.173 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -68 | -39.9 | 177.7 | -73.5 | 177.9 | 0 | 0 | 0 | 111.6 | F31 I34 L57 M62 M289 V293 M294 H295 | F31-L291 HydrophobicContact CE2-CB 4.16Å; F31-L291 HydrophobicContact CZ-CB 4.15Å; I34-L291 HydrophobicContact CG2-CD1 4.26Å; L57-L291 HydrophobicContact CD1-CD2 4.46Å; L57-L291 HydrophobicContact CD2-CD2 4.24Å; M62-L291 HydrophobicContact CE-CD2 4.12Å; M289-L291 PolarHBondContact O-N 3.43Å; L291-V293 VanDerWaalsContact C-N 3.34Å; L291-V293 PolarHBondContact O-N 3.43Å; L291-M294 PolarHBondContact O-N 3.44Å; L291-H295 WeakPolarHBondContact O-CB 3.4Å; L291-H295 PolarHBondContact O-CD2 3.09Å; L291-H295 PolarHBondContact O-N 3.22Å |
| 292 | D | 98.8 | Very high | 98.4 | Very high | 9 Ų | 9 | 15.7 Ų | 15.7 | 5% | 0.048 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -57.6 | -46.9 | 176.3 | -55.3 | -84 | 0 | 0 | 0 | 111.8 | G29 F31 M289 T296 | G29-D292 WeakPolarHBondContact CA-OD1 3.47Å; G29-D292 PolarHBondContact N-OD1 2.99Å; F31-D292 WeakPolarHBondContact CZ-OD1 3.46Å; M289-D292 VanDerWaalsContact CA-OD2 3.26Å; M289-D292 WeakPolarHBondContact CA-OD2 3.28Å; M289-D292 HydrophobicContact CB-CB 4.3Å; M289-D292 PolarHBondContact O-N 3.41Å; D292-T296 WeakPolarHBondContact O-CB 3.45Å; D292-T296 PolarHBondContact O-N 3.05Å; D292-T296 PolarHBondContact O-OG1 2.82Å |
| 293 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.1 | -46.3 | 177.4 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | M289 L291 T296 I297 F311 A315 F319 L322 L422 | M289-V293 HydrophobicContact CE-CG2 3.86Å; M289-V293 HydrophobicContact CG-CG2 4.27Å; M289-V293 WeakPolarHBondContact O-CG2 3.34Å; M289-V293 PolarHBondContact O-N 2.89Å; L291-V293 VanDerWaalsContact C-N 3.34Å; L291-V293 PolarHBondContact O-N 3.43Å; V293-T296 PolarHBondContact O-N 3.37Å; V293-I297 HydrophobicContact CG1-CD1 3.76Å; V293-I297 WeakPolarHBondContact O-CG1 3.38Å; V293-I297 PolarHBondContact O-N 2.87Å; V293-F311 HydrophobicContact CG1-CZ 4.15Å; V293-A315 HydrophobicContact CG1-CB 4.41Å; V293-F319 HydrophobicContact CG1-CD2 4.23Å; V293-F319 HydrophobicContact CG1-CE2 4.4Å; V293-F319 HydrophobicContact CG2-CD2 4.37Å; V293-F319 HydrophobicContact CG2-CE2 4.37Å; V293-L322 HydrophobicContact CG2-CD1 4.23Å; V293-L322 HydrophobicContact CG2-CD2 4.07Å; V293-L422 HydrophobicContact CB-CD1 4.37Å; V293-L422 HydrophobicContact CG1-CD1 4.46Å; V293-L422 HydrophobicContact CG2-CD1 4.3Å |
| 294 | M | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.4 | -51.1 | 178.4 | -74.7 | -179.6 | 75.8 | 0 | 0 | 111.8 | Y54 L57 K58 M62 L290 L291 T296 I297 H298 L304 F311 | Y54-M294 HydrophobicContact CD2-CE 4Å; Y54-M294 HydrophobicContact CE2-CE 3.99Å; L57-M294 HydrophobicContact CB-CE 3.74Å; L57-M294 HydrophobicContact CB-SD 3.96Å; L57-M294 HydrophobicContact CD1-SD 4.04Å; K58-M294 HydrophobicContact CB-CE 4.42Å; M62-M294 HydrophobicContact CE-CB 3.82Å; M62-M294 HydrophobicContact CE-CE 4.23Å; M62-M294 HydrophobicContact CG-CE 4.42Å; M62-M294 HydrophobicContact SD-CB 3.84Å; M62-M294 HydrophobicContact SD-CE 4.28Å; L290-M294 HydrophobicContact CD1-CG 4.38Å; L290-M294 HydrophobicContact CD1-SD 4.24Å; L290-M294 HydrophobicContact CG-SD 4.16Å; L290-M294 WeakPolarHBondContact O-CB 3.2Å; L290-M294 VanDerWaalsContact O-CG 3.24Å; L290-M294 WeakPolarHBondContact O-CG 3.39Å; L290-M294 PolarHBondContact O-N 2.93Å; L291-M294 PolarHBondContact O-N 3.44Å; M294-T296 PolarHBondContact O-N 3.48Å; M294-I297 PolarHBondContact O-N 2.94Å; M294-H298 VanDerWaalsContact O-CB 3.25Å; M294-H298 WeakPolarHBondContact O-CB 3.16Å; M294-H298 PolarHBondContact O-N 2.98Å; M294-L304 HydrophobicContact CB-CD1 4.04Å; M294-L304 HydrophobicContact CE-CD1 3.44Å; M294-L304 VanDerWaalsContact CE-CD1 3.44Å; M294-L304 HydrophobicContact CG-CD1 4.2Å; M294-F311 HydrophobicContact CG-CE2 3.82Å; M294-F311 HydrophobicContact CG-CZ 3.71Å |
| 295 | H | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.4 | -39.2 | 179 | -80.1 | -68.2 | 0 | 0 | 0 | 112.6 | F31 S61 M62 F64 M66 L291 H298 Q299 | F31-H295 AromaticContact CD1-CD2 3.56Å; F31-H295 AromaticContact CD1-NE2 3.92Å; F31-H295 HydrophobicContact CE1-CB 4.13Å; F31-H295 AromaticContact CE1-CD2 3.38Å; F31-H295 WeakPolarHBondContact CE1-CD2 3.32Å; F31-H295 AromaticContact CE1-CG 3.93Å; F31-H295 AromaticContact CZ-CD2 3.97Å; S61-H295 PolarHBondContact O-CE1 3.1Å; M62-H295 VanDerWaalsContact CE-CE1 3.49Å; M62-H295 WeakPolarHBondContact CE-CE1 3.33Å; M62-H295 WeakPolarHBondContact CE-NE2 3.44Å; F64-H295 PolarHBondContact O-CE1 2.67Å; F64-H295 PolarHBondContact O-ND1 2.88Å; M66-H295 HydrophobicContact CB-CB 3.95Å; M66-H295 HydrophobicContact SD-CB 4.3Å; L291-H295 WeakPolarHBondContact O-CB 3.4Å; L291-H295 PolarHBondContact O-CD2 3.09Å; L291-H295 PolarHBondContact O-N 3.22Å; H295-H298 PolarHBondContact O-N 2.86Å; H295-Q299 WeakPolarHBondContact O-CB 3.21Å; H295-Q299 PolarHBondContact O-N 2.81Å; H295-Q299 PolarHBondContact O-NE2 3.27Å |
| 296 | T | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.6 | -45.2 | 178.7 | -60.8 | 0 | 0 | 0 | 0 | 111.3 | F69 I274 D292 V293 M294 F300 F319 | F69-T296 HydrophobicContact CE2-CG2 4.42Å; I274-T296 HydrophobicContact CD1-CG2 3.74Å; I274-T296 HydrophobicContact CG1-CG2 4.21Å; I274-T296 HydrophobicContact CG2-CG2 4.05Å; D292-T296 WeakPolarHBondContact O-CB 3.45Å; D292-T296 PolarHBondContact O-N 3.05Å; D292-T296 PolarHBondContact O-OG1 2.82Å; V293-T296 PolarHBondContact O-N 3.37Å; M294-T296 PolarHBondContact O-N 3.48Å; T296-F300 HydrophobicContact CG2-CD2 3.97Å; T296-F300 WeakPolarHBondContact O-CD2 3.43Å; T296-F300 PolarHBondContact O-N 3.47Å; T296-F300 VanDerWaalsContact O-N 3.14Å; T296-F319 HydrophobicContact CG2-CE2 4.01Å; T296-F319 HydrophobicContact CG2-CZ 3.64Å |
| 297 | I | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65 | -49.7 | 175.6 | -66.3 | 166.1 | 0 | 0 | 0 | 109.9 | V293 M294 Q299 Y301 C302 L304 F311 V314 A315 V318 | V293-I297 HydrophobicContact CG1-CD1 3.76Å; V293-I297 WeakPolarHBondContact O-CG1 3.38Å; V293-I297 PolarHBondContact O-N 2.87Å; M294-I297 PolarHBondContact O-N 2.94Å; I297-Q299 VanDerWaalsContact C-N 3.31Å; I297-Q299 PolarHBondContact O-N 3.17Å; I297-Y301 WeakPolarHBondContact O-CA 3.44Å; I297-Y301 WeakPolarHBondContact O-CB 3.3Å; I297-Y301 PolarHBondContact O-N 3.09Å; I297-C302 CarbonylContact C-O 3.54Å; I297-C302 PolarHBondContact O-N 3.22Å; I297-L304 HydrophobicContact CB-CD2 3.99Å; I297-L304 HydrophobicContact CG2-CD2 3.74Å; I297-F311 HydrophobicContact CD1-CD2 4.41Å; I297-F311 HydrophobicContact CD1-CE2 3.8Å; I297-F311 HydrophobicContact CD1-CZ 4.44Å; I297-V314 HydrophobicContact CD1-CG1 4.38Å; I297-V314 HydrophobicContact CG2-CG1 3.45Å; I297-V314 VanDerWaalsContact CG2-CG1 3.45Å; I297-A315 HydrophobicContact CD1-CB 3.87Å; I297-V318 HydrophobicContact CG1-CB 4.3Å; I297-V318 HydrophobicContact CG1-CG1 4.49Å; I297-V318 HydrophobicContact CG1-CG2 4.11Å |
| 298 | H | 98.4 | Very high | 97.8 | Very high | 58 Ų | 58 | 27.6 Ų | 27.6 | 27% | 0.269 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -55.9 | -43 | -175.3 | -168.9 | 48.3 | 0 | 0 | 0 | 113.2 | M62 M294 H295 C302 L304 | M62-H298 HydrophobicContact SD-CB 4.2Å; M294-H298 VanDerWaalsContact O-CB 3.25Å; M294-H298 WeakPolarHBondContact O-CB 3.16Å; M294-H298 PolarHBondContact O-N 2.98Å; H295-H298 PolarHBondContact O-N 2.86Å; H298-C302 VanDerWaalsContact CA-O 3.24Å; H298-C302 WeakPolarHBondContact CA-O 3.29Å; H298-L304 HydrophobicContact CB-CD2 4.14Å; H298-L304 HydrophobicContact CB-CG 4Å; H298-L304 PolarHBondContact ND1-N 3.39Å |
| 299 | Q | 98.4 | Very high | 97.7 | Very high | 14 Ų | 14 | 29.6 Ų | 29.6 | 7% | 0.065 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -88.8 | -38.4 | -173.4 | -71.6 | 171.3 | 61.2 | 0 | 0 | 113.7 | M66 Y133 H295 I297 | M66-Q299 PolarHBondContact O-OE1 3.42Å; Y133-Q299 WeakPolarHBondContact CD2-O 3.4Å; Y133-Q299 HydrophobicContact CE2-CB 3.89Å; Y133-Q299 HydrophobicContact CE2-CG 4.4Å; Y133-Q299 WeakPolarHBondContact CE2-O 3.31Å; Y133-Q299 PolarHBondContact OH-OE1 3.37Å; H295-Q299 WeakPolarHBondContact O-CB 3.21Å; H295-Q299 PolarHBondContact O-N 2.81Å; H295-Q299 PolarHBondContact O-NE2 3.27Å; I297-Q299 VanDerWaalsContact C-N 3.31Å; I297-Q299 PolarHBondContact O-N 3.17Å |
| 300 | F | 98.4 | Very high | 97.7 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 1% | 0.013 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -112.4 | -8.7 | -167.8 | -45.4 | -62.8 | 0 | 0 | 0 | 114.1 | M66 V92 Y133 F270 I274 T296 | M66-F300 HydrophobicContact CE-CE2 3.3Å; M66-F300 HydrophobicContact CE-CZ 3.6Å; V92-F300 HydrophobicContact CG2-CZ 4.17Å; Y133-F300 HydrophobicContact CD1-CD1 4.33Å; Y133-F300 AromaticContact CD1-CE1 3.68Å; Y133-F300 HydrophobicContact CD1-CE1 3.68Å; Y133-F300 AromaticContact CD2-CD1 3.74Å; Y133-F300 HydrophobicContact CD2-CD1 3.74Å; Y133-F300 AromaticContact CD2-CE1 3.79Å; Y133-F300 HydrophobicContact CD2-CE1 3.79Å; Y133-F300 HydrophobicContact CE1-CE1 4.07Å; Y133-F300 HydrophobicContact CE2-CD1 4.41Å; Y133-F300 HydrophobicContact CE2-CE1 4.18Å; Y133-F300 AromaticContact CG-CD1 3.69Å; Y133-F300 HydrophobicContact CG-CD1 3.69Å; Y133-F300 AromaticContact CG-CE1 3.51Å; Y133-F300 HydrophobicContact CG-CE1 3.51Å; F270-F300 AromaticContact CD1-CD1 3.88Å; F270-F300 HydrophobicContact CD1-CD1 3.88Å; F270-F300 HydrophobicContact CD1-CD2 4.4Å; F270-F300 AromaticContact CD1-CE1 3.57Å; F270-F300 HydrophobicContact CD1-CE1 3.57Å; F270-F300 HydrophobicContact CD1-CE2 4.17Å; F270-F300 HydrophobicContact CD1-CG 4.29Å; F270-F300 AromaticContact CD1-CZ 3.74Å; F270-F300 HydrophobicContact CD1-CZ 3.74Å; F270-F300 HydrophobicContact CE1-CD2 4.31Å; F270-F300 HydrophobicContact CE1-CE1 4.22Å; F270-F300 AromaticContact CE1-CE2 3.99Å; F270-F300 HydrophobicContact CE1-CE2 3.99Å; F270-F300 AromaticContact CE1-CZ 3.93Å; F270-F300 HydrophobicContact CE1-CZ 3.93Å; I274-F300 HydrophobicContact CB-CB 4.29Å; I274-F300 HydrophobicContact CD1-CD2 4.33Å; I274-F300 HydrophobicContact CG1-CB 3.89Å; I274-F300 HydrophobicContact CG1-CD2 3.82Å; I274-F300 HydrophobicContact CG1-CG 3.92Å; I274-F300 HydrophobicContact CG2-CB 4.41Å; T296-F300 HydrophobicContact CG2-CD2 3.97Å; T296-F300 WeakPolarHBondContact O-CD2 3.43Å; T296-F300 PolarHBondContact O-N 3.47Å; T296-F300 VanDerWaalsContact O-N 3.14Å |
| 301 | Y | 97.4 | Very high | 97.7 | Very high | 52 Ų | 52 | 32.4 Ų | 32.4 | 20% | 0.204 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | -69 | -179.1 | -164.1 | -101.7 | 0 | 0 | 0 | 111.8 | N135 Q136 I297 V314 V318 | N135-Y301 WeakPolarHBondContact CB-O 3.38Å; Q136-Y301 WeakPolarHBondContact CB-O 3.34Å; Q136-Y301 PolarHBondContact N-O 3.33Å; Q136-Y301 PolarHBondContact OE1-OH 2.86Å; I297-Y301 WeakPolarHBondContact O-CA 3.44Å; I297-Y301 WeakPolarHBondContact O-CB 3.3Å; I297-Y301 PolarHBondContact O-N 3.09Å; Y301-V314 HydrophobicContact CD1-CG1 3.71Å; Y301-V314 HydrophobicContact CE1-CG1 3.92Å; Y301-V318 HydrophobicContact CD1-CG2 3.83Å; Y301-V318 HydrophobicContact CD2-CG2 3.74Å; Y301-V318 HydrophobicContact CE1-CG2 4.23Å; Y301-V318 HydrophobicContact CE2-CG2 4.14Å; Y301-V318 HydrophobicContact CG-CG2 3.56Å |
| 302 | C | 96.8 | Very high | 97.7 | Very high | 22 Ų | 22 | 31.1 Ų | 31.1 | 15% | 0.149 | 16% | 0.159 | C | C | . | . | trans | -158.1 | 159.1 | 177 | 69.1 | 0 | 0 | 0 | 0 | 110.9 | I297 H298 L304 | I297-C302 CarbonylContact C-O 3.54Å; I297-C302 PolarHBondContact O-N 3.22Å; H298-C302 VanDerWaalsContact CA-O 3.24Å; H298-C302 WeakPolarHBondContact CA-O 3.29Å; C302-L304 PolarHBondContact O-N 2.64Å | ||
| 303 | P | 97.1 | Very high | 97.7 | Very high | 71 Ų | 71 | 35.9 Ų | 35.9 | 46% | 0.461 | 18% | 0.181 | S | C | . | . | P | Polyproline II helix | trans | -49.7 | 142.5 | 165.5 | -25.7 | 35.2 | 0 | 0 | 0 | 111.2 | ||
| 304 | L | 98 | Very high | 97.6 | Very high | 10 Ų | 10 | 37.1 Ų | 37.1 | 5% | 0.052 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -65.3 | 134.9 | -178.6 | -67 | -167.4 | 0 | 0 | 0 | 110 | Y54 K58 M62 M294 I297 H298 C302 F311 | Y54-L304 HydrophobicContact CE2-CD1 4.31Å; K58-L304 HydrophobicContact CD-CB 4.18Å; K58-L304 WeakPolarHBondContact CE-O 3.25Å; K58-L304 HydrophobicContact CG-CB 4.4Å; M62-L304 HydrophobicContact CG-CD1 3.72Å; M62-L304 HydrophobicContact SD-CD1 3.61Å; M62-L304 HydrophobicContact SD-CG 4.39Å; M294-L304 HydrophobicContact CB-CD1 4.04Å; M294-L304 HydrophobicContact CE-CD1 3.44Å; M294-L304 VanDerWaalsContact CE-CD1 3.44Å; M294-L304 HydrophobicContact CG-CD1 4.2Å; I297-L304 HydrophobicContact CB-CD2 3.99Å; I297-L304 HydrophobicContact CG2-CD2 3.74Å; H298-L304 HydrophobicContact CB-CD2 4.14Å; H298-L304 HydrophobicContact CB-CG 4Å; H298-L304 PolarHBondContact ND1-N 3.39Å; C302-L304 PolarHBondContact O-N 2.64Å; L304-F311 HydrophobicContact CD2-CD2 4.03Å; L304-F311 HydrophobicContact CD2-CE2 4.11Å |
| 305 | P | 97.6 | Very high | 97.6 | Very high | 25 Ų | 25 | 37.1 Ų | 37.1 | 16% | 0.162 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -67.4 | 164.1 | -179.6 | 27.9 | -33.9 | 0 | 0 | 0 | 111.8 | Y54 K58 D310 F311 | Y54-P305 PolarHBondContact OH-O 3.22Å; K58-P305 WeakPolarHBondContact CD-O 3.29Å; K58-P305 VanDerWaalsContact CE-O 3.25Å; K58-P305 WeakPolarHBondContact CE-O 3.23Å; P305-D310 HydrophobicContact CB-CB 3.58Å; P305-D310 HydrophobicContact CG-CB 3.69Å; P305-F311 VanDerWaalsContact CG-CA 3.49Å; P305-F311 HydrophobicContact CG-CB 3.84Å |
| 306 | E | 95.8 | Very high | 97.5 | Very high | 135 Ų | 135 | 39.7 Ų | 39.7 | 63% | 0.631 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -72.1 | -41.3 | -178.7 | -67.2 | -56.5 | 146.4 | 0 | 0 | 112.7 | K58 | K58-E306 IonicContact NZ-OE1 3.67Å; K58-E306 PolarHBondContact NZ-OE1 2.87Å; K58-E306 IonicContact NZ-OE2 3.2Å; K58-E306 PolarHBondContact NZ-OE2 3.45Å |
| 307 | D | 94.8 | Very high | 97.4 | Very high | 71 Ų | 71 | 43 Ų | 43 | 38% | 0.38 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -94.1 | 142.6 | -178.2 | -64.1 | -65 | 0 | 0 | 0 | 111.6 | Q309 D310 F311 K520 | D307-Q309 PolarHBondContact O-N 3.43Å; D307-D310 PolarHBondContact O-N 2.66Å; D307-F311 PolarHBondContact O-N 3.26Å; D307-K520 IonicContact OD1-NZ 3.49Å |
| 308 | L | 96.3 | Very high | 97.4 | Very high | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.6 | -33.3 | 179 | 175 | 58.7 | 0 | 0 | 0 | 112.8 | P50 E51 Y54 F311 K312 L433 | P50-L308 HydrophobicContact CB-CD2 3.73Å; E51-L308 PolarHBondContact OE1-N 2.9Å; E51-L308 WeakPolarHBondContact OE2-CB 3.3Å; Y54-L308 HydrophobicContact CD1-CB 4.02Å; Y54-L308 HydrophobicContact CD1-CD1 4.37Å; Y54-L308 HydrophobicContact CD2-CD1 4.02Å; Y54-L308 HydrophobicContact CG-CB 4.26Å; Y54-L308 HydrophobicContact CG-CD1 3.8Å; L308-F311 HydrophobicContact CD1-CD1 3.81Å; L308-F311 WeakPolarHBondContact O-CB 3.45Å; L308-F311 PolarHBondContact O-N 3.47Å; L308-K312 HydrophobicContact CD1-CG 4.38Å; L308-K312 WeakPolarHBondContact O-CG 3.48Å; L308-K312 PolarHBondContact O-N 3.3Å; L308-L433 HydrophobicContact CD1-CD1 4Å; L308-L433 HydrophobicContact CD1-CD2 4.24Å; L308-L433 HydrophobicContact CD2-CD1 3.85Å; L308-L433 HydrophobicContact CG-CD1 4.4Å |
| 309 | Q | 96.8 | Very high | 97.4 | Very high | 97 Ų | 97 | 40.4 Ų | 40.4 | 45% | 0.453 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.5 | -44.4 | -178.3 | -177.1 | 55.1 | 37.5 | 0 | 0 | 111.4 | D307 F311 K312 E313 | D307-Q309 PolarHBondContact O-N 3.43Å; Q309-F311 VanDerWaalsContact C-N 3.28Å; Q309-F311 PolarHBondContact O-N 3.27Å; Q309-K312 WeakPolarHBondContact O-CB 3.42Å; Q309-K312 PolarHBondContact O-N 2.99Å; Q309-K312 VanDerWaalsContact O-N 3.16Å; Q309-E313 PolarHBondContact O-N 3.42Å; Q309-E313 VanDerWaalsContact O-N 3.13Å |
| 310 | D | 97.5 | Very high | 97.3 | Very high | 74 Ų | 74 | 41.7 Ų | 41.7 | 40% | 0.396 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.3 | -38.3 | 175.1 | -67.3 | -4.3 | 0 | 0 | 0 | 110.7 | P305 D307 K312 E313 V314 | P305-D310 HydrophobicContact CB-CB 3.58Å; P305-D310 HydrophobicContact CG-CB 3.69Å; D307-D310 PolarHBondContact O-N 2.66Å; D310-K312 VanDerWaalsContact C-N 3.31Å; D310-K312 PolarHBondContact O-N 3.22Å; D310-E313 PolarHBondContact O-N 3.22Å; D310-V314 WeakPolarHBondContact O-CG2 3.49Å; D310-V314 PolarHBondContact O-N 3Å |
| 311 | F | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.2 | -42.4 | 174.8 | 167.1 | -99.7 | 0 | 0 | 0 | 111.7 | Y54 V293 M294 I297 L304 P305 D307 L308 Q309 E313 V314 A315 L433 I435 | Y54-F311 HydrophobicContact CD2-CB 4.47Å; Y54-F311 HydrophobicContact CD2-CD1 4.17Å; Y54-F311 HydrophobicContact CD2-CG 4.15Å; Y54-F311 HydrophobicContact CE1-CB 4.44Å; Y54-F311 HydrophobicContact CE2-CB 3.69Å; Y54-F311 AromaticContact CE2-CD1 3.97Å; Y54-F311 HydrophobicContact CE2-CD1 3.97Å; Y54-F311 AromaticContact CE2-CD2 3.71Å; Y54-F311 HydrophobicContact CE2-CD2 3.71Å; Y54-F311 HydrophobicContact CE2-CE2 4.33Å; Y54-F311 AromaticContact CE2-CG 3.49Å; Y54-F311 HydrophobicContact CE2-CG 3.49Å; Y54-F311 VanDerWaalsContact CE2-CG 3.49Å; V293-F311 HydrophobicContact CG1-CZ 4.15Å; M294-F311 HydrophobicContact CG-CE2 3.82Å; M294-F311 HydrophobicContact CG-CZ 3.71Å; I297-F311 HydrophobicContact CD1-CD2 4.41Å; I297-F311 HydrophobicContact CD1-CE2 3.8Å; I297-F311 HydrophobicContact CD1-CZ 4.44Å; L304-F311 HydrophobicContact CD2-CD2 4.03Å; L304-F311 HydrophobicContact CD2-CE2 4.11Å; P305-F311 VanDerWaalsContact CG-CA 3.49Å; P305-F311 HydrophobicContact CG-CB 3.84Å; D307-F311 PolarHBondContact O-N 3.26Å; L308-F311 HydrophobicContact CD1-CD1 3.81Å; L308-F311 WeakPolarHBondContact O-CB 3.45Å; L308-F311 PolarHBondContact O-N 3.47Å; Q309-F311 VanDerWaalsContact C-N 3.28Å; Q309-F311 PolarHBondContact O-N 3.27Å; F311-E313 VanDerWaalsContact C-N 3.32Å; F311-E313 PolarHBondContact O-N 2.87Å; F311-V314 PolarHBondContact O-N 3.15Å; F311-A315 VanDerWaalsContact O-CB 3.26Å; F311-A315 WeakPolarHBondContact O-CB 3.32Å; F311-A315 PolarHBondContact O-N 2.95Å; F311-L433 HydrophobicContact CE1-CD2 4.22Å; F311-I435 HydrophobicContact CE1-CD1 4.44Å |
| 312 | K | 98.3 | Very high | 97.4 | Very high | 6 Ų | 6 | 43.9 Ų | 43.9 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.4 | -41.7 | 176.7 | -71 | 179.1 | 179.6 | -169 | 0 | 111.7 | L308 Q309 D310 A315 M316 N434 I435 G437 D439 | L308-K312 HydrophobicContact CD1-CG 4.38Å; L308-K312 WeakPolarHBondContact O-CG 3.48Å; L308-K312 PolarHBondContact O-N 3.3Å; Q309-K312 WeakPolarHBondContact O-CB 3.42Å; Q309-K312 PolarHBondContact O-N 2.99Å; Q309-K312 VanDerWaalsContact O-N 3.16Å; D310-K312 VanDerWaalsContact C-N 3.31Å; D310-K312 PolarHBondContact O-N 3.22Å; K312-A315 PolarHBondContact O-N 3.13Å; K312-M316 WeakPolarHBondContact O-CG 3.46Å; K312-M316 PolarHBondContact O-N 2.78Å; K312-N434 WeakPolarHBondContact CD-O 3.18Å; K312-N434 WeakPolarHBondContact CE-O 3.13Å; K312-N434 PolarHBondContact NZ-O 3.13Å; K312-I435 HydrophobicContact CB-CG2 4.38Å; K312-I435 HydrophobicContact CG-CD1 4.33Å; K312-G437 PolarHBondContact NZ-O 2.67Å; K312-G437 VanDerWaalsContact NZ-O 3.1Å; K312-D439 IonicContact NZ-OD1 3.66Å; K312-D439 PolarHBondContact NZ-OD1 2.85Å; K312-D439 IonicContact NZ-OD2 2.84Å; K312-D439 PolarHBondContact NZ-OD2 2.68Å |
| 313 | E | 97.6 | Very high | 97.5 | Very high | 109 Ų | 109 | 42.9 Ų | 42.9 | 51% | 0.509 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.4 | -45.4 | 177 | -68.6 | -178.2 | -168.9 | 0 | 0 | 112 | Q309 D310 F311 M316 C317 | Q309-E313 PolarHBondContact O-N 3.42Å; Q309-E313 VanDerWaalsContact O-N 3.13Å; D310-E313 PolarHBondContact O-N 3.22Å; F311-E313 VanDerWaalsContact C-N 3.32Å; F311-E313 PolarHBondContact O-N 2.87Å; E313-M316 PolarHBondContact O-N 2.83Å; E313-C317 PolarHBondContact O-N 3.13Å; E313-C317 VanDerWaalsContact O-N 3.14Å; E313-C317 PolarHBondContact O-SG 2.89Å |
| 314 | V | 97.8 | Very high | 97.5 | Very high | 27 Ų | 27 | 39.6 Ų | 39.6 | 16% | 0.164 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.3 | -43.8 | 174.9 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | I297 Y301 D310 F311 M316 C317 V318 | I297-V314 HydrophobicContact CD1-CG1 4.38Å; I297-V314 HydrophobicContact CG2-CG1 3.45Å; I297-V314 VanDerWaalsContact CG2-CG1 3.45Å; Y301-V314 HydrophobicContact CD1-CG1 3.71Å; Y301-V314 HydrophobicContact CE1-CG1 3.92Å; D310-V314 WeakPolarHBondContact O-CG2 3.49Å; D310-V314 PolarHBondContact O-N 3Å; F311-V314 PolarHBondContact O-N 3.15Å; V314-M316 VanDerWaalsContact C-N 3.28Å; V314-M316 PolarHBondContact O-N 3.39Å; V314-C317 WeakPolarHBondContact O-CB 3.41Å; V314-C317 PolarHBondContact O-N 3.17Å; V314-V318 HydrophobicContact CG1-CG2 4.47Å; V314-V318 PolarHBondContact O-N 3.39Å |
| 315 | A | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.3 | -38.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | V293 I297 F311 K312 C317 V318 F319 I435 | V293-A315 HydrophobicContact CG1-CB 4.41Å; I297-A315 HydrophobicContact CD1-CB 3.87Å; F311-A315 VanDerWaalsContact O-CB 3.26Å; F311-A315 WeakPolarHBondContact O-CB 3.32Å; F311-A315 PolarHBondContact O-N 2.95Å; K312-A315 PolarHBondContact O-N 3.13Å; A315-C317 VanDerWaalsContact C-N 3.32Å; A315-C317 PolarHBondContact O-N 2.91Å; A315-V318 PolarHBondContact O-N 3.41Å; A315-F319 CarbonylContact O-C 3.47Å; A315-F319 WeakPolarHBondContact O-CA 3.28Å; A315-F319 PolarHBondContact O-N 2.93Å; A315-I435 HydrophobicContact CB-CG2 4.02Å |
| 316 | M | 97.7 | Very high | 97.6 | Very high | 54 Ų | 54 | 39.3 Ų | 39.3 | 27% | 0.266 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -68.5 | -28.3 | 174.5 | -73.8 | -58.4 | -58.1 | 0 | 0 | 113.7 | K312 E313 V314 P320 N420 I435 T436 | K312-M316 WeakPolarHBondContact O-CG 3.46Å; K312-M316 PolarHBondContact O-N 2.78Å; E313-M316 PolarHBondContact O-N 2.83Å; V314-M316 VanDerWaalsContact C-N 3.28Å; V314-M316 PolarHBondContact O-N 3.39Å; M316-P320 WeakPolarHBondContact CE-O 3.17Å; M316-P320 WeakPolarHBondContact O-CA 3.45Å; M316-N420 HydrophobicContact SD-CB 4.36Å; M316-I435 HydrophobicContact CG-CG2 3.73Å; M316-I435 HydrophobicContact SD-CG2 3.74Å; M316-T436 HydrophobicContact CE-CG2 3.83Å; M316-T436 HydrophobicContact SD-CG2 3.64Å |
| 317 | C | 96.8 | Very high | 97.7 | Very high | 71 Ų | 71 | 33.1 Ų | 33.1 | 48% | 0.48 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -73 | -41.5 | 175.3 | -65.4 | 0 | 0 | 0 | 0 | 111.4 | S278 E313 V314 A315 | S278-C317 PolarHBondContact OG-O 3.43Å; E313-C317 PolarHBondContact O-N 3.13Å; E313-C317 VanDerWaalsContact O-N 3.14Å; E313-C317 PolarHBondContact O-SG 2.89Å; V314-C317 WeakPolarHBondContact O-CB 3.41Å; V314-C317 PolarHBondContact O-N 3.17Å; A315-C317 VanDerWaalsContact C-N 3.32Å; A315-C317 PolarHBondContact O-N 2.91Å |
| 318 | V | 97.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -78.1 | -42.4 | 179.7 | -178 | 0 | 0 | 0 | 0 | 111.2 | I274 S278 I297 Y301 V314 A315 | I274-V318 HydrophobicContact CG2-CG1 4Å; S278-V318 WeakPolarHBondContact CA-O 3.49Å; S278-V318 WeakPolarHBondContact CB-O 3.49Å; S278-V318 PolarHBondContact OG-O 2.84Å; I297-V318 HydrophobicContact CG1-CB 4.3Å; I297-V318 HydrophobicContact CG1-CG1 4.49Å; I297-V318 HydrophobicContact CG1-CG2 4.11Å; Y301-V318 HydrophobicContact CD1-CG2 3.83Å; Y301-V318 HydrophobicContact CD2-CG2 3.74Å; Y301-V318 HydrophobicContact CE1-CG2 4.23Å; Y301-V318 HydrophobicContact CE2-CG2 4.14Å; Y301-V318 HydrophobicContact CG-CG2 3.56Å; V314-V318 HydrophobicContact CG1-CG2 4.47Å; V314-V318 PolarHBondContact O-N 3.39Å; A315-V318 PolarHBondContact O-N 3.41Å |
| 319 | F | 98.2 | Very high | 97.9 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 0% | 0.004 | 15% | 0.149 | C | C | . | . | trans | -131.3 | 89.1 | -177.8 | -58 | -61.8 | 0 | 0 | 0 | 111.3 | I27 I277 V284 V293 T296 A315 R321 L322 | I27-F319 HydrophobicContact CD1-CE1 4.47Å; I27-F319 HydrophobicContact CD1-CZ 4.18Å; I277-F319 HydrophobicContact CG2-CD1 4.17Å; I277-F319 HydrophobicContact CG2-CE1 3.89Å; V284-F319 HydrophobicContact CB-CD1 4.34Å; V284-F319 HydrophobicContact CG1-CD1 4.31Å; V284-F319 HydrophobicContact CG1-CE1 4.35Å; V284-F319 HydrophobicContact CG2-CD1 3.94Å; V284-F319 HydrophobicContact CG2-CE1 4.42Å; V293-F319 HydrophobicContact CG1-CD2 4.23Å; V293-F319 HydrophobicContact CG1-CE2 4.4Å; V293-F319 HydrophobicContact CG2-CD2 4.37Å; V293-F319 HydrophobicContact CG2-CE2 4.37Å; T296-F319 HydrophobicContact CG2-CE2 4.01Å; T296-F319 HydrophobicContact CG2-CZ 3.64Å; A315-F319 CarbonylContact O-C 3.47Å; A315-F319 WeakPolarHBondContact O-CA 3.28Å; A315-F319 PolarHBondContact O-N 2.93Å; F319-R321 PolarHBondContact O-N 3.25Å; F319-R321 VanDerWaalsContact O-N 3.13Å; F319-L322 HydrophobicContact CB-CD1 3.9Å; F319-L322 HydrophobicContact CB-CD2 3.63Å; F319-L322 HydrophobicContact CB-CG 3.62Å; F319-L322 HydrophobicContact CD2-CD2 4.14Å; F319-L322 HydrophobicContact CG-CD2 3.9Å; F319-L322 HydrophobicContact CG-CG 4.4Å | ||
| 320 | P | 97 | Very high | 97.8 | Very high | 42 Ų | 42 | 26.6 Ų | 26.6 | 27% | 0.273 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -62.8 | -24 | -177.2 | -25.4 | 35.2 | 0 | 0 | 0 | 114.5 | M316 N420 | M316-P320 WeakPolarHBondContact CE-O 3.17Å; M316-P320 WeakPolarHBondContact O-CA 3.45Å; P320-N420 PolarHBondContact O-ND2 3.2Å |
| 321 | R | 98.2 | Very high | 97.6 | Very high | 101 Ų | 101 | 25.5 Ų | 25.5 | 38% | 0.381 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -140.5 | 108 | 178.4 | -63.2 | -175.6 | -155 | 154.4 | 10.6 | 110.3 | L283 V284 F319 N420 | L283-R321 HydrophobicContact CD1-CB 4.02Å; V284-R321 PolarHBondContact N-O 3.11Å; F319-R321 PolarHBondContact O-N 3.25Å; F319-R321 VanDerWaalsContact O-N 3.13Å; R321-N420 VanDerWaalsContact CA-OD1 3.31Å; R321-N420 WeakPolarHBondContact CA-OD1 3.35Å |
| 322 | L | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 148.6 | 174.3 | -71 | 164 | 0 | 0 | 0 | 110.6 | V284 M289 V293 F319 F419 N420 L422 | V284-L322 HydrophobicContact CB-CD2 4.2Å; V284-L322 HydrophobicContact CG1-CD2 4.28Å; V284-L322 CarbonylContact O-C 3.58Å; V284-L322 VanDerWaalsContact O-CA 3.29Å; V284-L322 WeakPolarHBondContact O-CA 3.06Å; M289-L322 HydrophobicContact CE-CD2 3.52Å; M289-L322 HydrophobicContact SD-CD2 4.07Å; V293-L322 HydrophobicContact CG2-CD1 4.23Å; V293-L322 HydrophobicContact CG2-CD2 4.07Å; F319-L322 HydrophobicContact CB-CD1 3.9Å; F319-L322 HydrophobicContact CB-CD2 3.63Å; F319-L322 HydrophobicContact CB-CG 3.62Å; F319-L322 HydrophobicContact CD2-CD2 4.14Å; F319-L322 HydrophobicContact CG-CD2 3.9Å; F319-L322 HydrophobicContact CG-CG 4.4Å; L322-F419 CarbonylContact O-C 3.48Å; L322-F419 VanDerWaalsContact O-CA 3.3Å; L322-F419 WeakPolarHBondContact O-CA 3.4Å; L322-N420 PolarHBondContact N-OD1 2.78Å; L322-N420 PolarHBondContact O-N 2.72Å; L322-L422 HydrophobicContact CB-CD2 4.44Å; L322-L422 HydrophobicContact CD1-CD2 4.28Å |
| 323 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 123.7 | 166.4 | -178 | 154.3 | 0 | 0 | 0 | 110 | L283 V284 V285 G286 T325 M328 F390 F418 F419 | L283-L323 HydrophobicContact CD1-CB 3.87Å; V284-L323 PolarHBondContact O-N 3.47Å; V285-L323 WeakPolarHBondContact CA-O 3.38Å; V285-L323 HydrophobicContact CG1-CD2 4.06Å; G286-L323 PolarHBondContact N-O 2.81Å; L323-T325 HydrophobicContact CD2-CG2 4.09Å; L323-M328 HydrophobicContact CD1-SD 4.38Å; L323-M328 HydrophobicContact CD2-SD 4.05Å; L323-F390 HydrophobicContact CD1-CD2 3.93Å; L323-F390 HydrophobicContact CD1-CE2 3.59Å; L323-F390 HydrophobicContact CD2-CD2 3.74Å; L323-F390 HydrophobicContact CD2-CE2 4.27Å; L323-F418 HydrophobicContact CD1-CB 3.88Å; L323-F418 HydrophobicContact CG-CB 4.14Å; L323-F419 HydrophobicContact CD1-CD1 4.3Å; L323-F419 HydrophobicContact CD1-CE1 4.29Å |
| 324 | D | 98.8 | Very high | 97 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.011 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 114.2 | 176.3 | -169 | -39 | 0 | 0 | 0 | 110.2 | G286 N288 M289 K326 L327 M328 F423 | G286-D324 WeakPolarHBondContact O-CA 3.45Å; N288-D324 VanDerWaalsContact CA-OD2 3.29Å; N288-D324 WeakPolarHBondContact CA-OD2 3.29Å; N288-D324 PolarHBondContact N-OD1 3Å; N288-D324 PolarHBondContact N-OD2 2.88Å; M289-D324 HydrophobicContact CG-CB 4.44Å; M289-D324 PolarHBondContact N-OD2 2.78Å; D324-K326 VanDerWaalsContact C-N 3.28Å; D324-K326 PolarHBondContact O-N 3.11Å; D324-K326 VanDerWaalsContact OD1-CB 3.25Å; D324-K326 WeakPolarHBondContact OD1-CB 3.43Å; D324-K326 PolarHBondContact OD1-N 3.37Å; D324-L327 HydrophobicContact CB-CB 4.05Å; D324-L327 PolarHBondContact O-N 2.92Å; D324-L327 PolarHBondContact OD1-N 3.01Å; D324-M328 PolarHBondContact O-N 3.32Å; D324-F423 VanDerWaalsContact OD2-CB 3.29Å; D324-F423 WeakPolarHBondContact OD2-CB 3.45Å; D324-F423 PolarHBondContact OD2-N 3.04Å; D324-F423 VanDerWaalsContact OD2-N 3.12Å |
| 325 | T | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.7 | -28.6 | -178.8 | 54.4 | 0 | 0 | 0 | 0 | 113 | V285 G286 H287 L323 L327 M328 A329 T386 F390 M393 | V285-T325 HydrophobicContact CG1-CG2 3.51Å; G286-T325 PolarHBondContact O-N 3.28Å; G286-T325 PolarHBondContact O-OG1 2.91Å; G286-T325 VanDerWaalsContact O-OG1 3.08Å; H287-T325 WeakPolarHBondContact CA-OG1 3.27Å; H287-T325 WeakPolarHBondContact CB-OG1 3.46Å; H287-T325 PolarHBondContact ND1-OG1 3.43Å; L323-T325 HydrophobicContact CD2-CG2 4.09Å; T325-L327 VanDerWaalsContact C-N 3.34Å; T325-M328 PolarHBondContact O-N 3.12Å; T325-A329 VanDerWaalsContact O-CB 3.31Å; T325-A329 WeakPolarHBondContact O-CB 3.31Å; T325-A329 PolarHBondContact O-N 3.42Å; T325-T386 HydrophobicContact CG2-CG2 4.03Å; T325-F390 HydrophobicContact CG2-CB 3.86Å; T325-M393 HydrophobicContact CG2-CE 4.2Å |
| 326 | K | 98.3 | Very high | 96.3 | Very high | 30 Ų | 30 | 38.5 Ų | 38.5 | 13% | 0.13 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67 | -41.3 | 175.4 | -171.7 | 169.9 | -175.3 | 64.4 | 0 | 110.6 | N288 D324 S330 T341 F423 | N288-K326 HydrophobicContact CB-CB 4.41Å; N288-K326 HydrophobicContact CB-CD 3.67Å; D324-K326 VanDerWaalsContact C-N 3.28Å; D324-K326 PolarHBondContact O-N 3.11Å; D324-K326 VanDerWaalsContact OD1-CB 3.25Å; D324-K326 WeakPolarHBondContact OD1-CB 3.43Å; D324-K326 PolarHBondContact OD1-N 3.37Å; K326-S330 WeakPolarHBondContact O-CB 3.19Å; K326-S330 PolarHBondContact O-N 2.92Å; K326-S330 VanDerWaalsContact O-N 3.1Å; K326-S330 PolarHBondContact O-OG 3.48Å; K326-T341 VanDerWaalsContact NZ-C 3.32Å; K326-T341 PolarHBondContact NZ-O 3.09Å; K326-T341 PolarHBondContact NZ-OG1 2.98Å; K326-F423 HydrophobicContact CB-CB 4.48Å; K326-F423 HydrophobicContact CB-CG 4.33Å; K326-F423 HydrophobicContact CD-CD1 3.67Å; K326-F423 HydrophobicContact CD-CE1 3.66Å; K326-F423 HydrophobicContact CD-CG 4.09Å; K326-F423 HydrophobicContact CD-CZ 4.11Å; K326-F423 VanDerWaalsContact CE-CE1 3.4Å; K326-F423 HydrophobicContact CG-CD1 4.15Å; K326-F423 HydrophobicContact CG-CD2 4.11Å; K326-F423 HydrophobicContact CG-CE1 4.22Å; K326-F423 HydrophobicContact CG-CE2 4.19Å; K326-F423 HydrophobicContact CG-CG 4.08Å; K326-F423 HydrophobicContact CG-CZ 4.24Å |
| 327 | L | 97.8 | Very high | 96.1 | Very high | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.8 | -46.2 | 173.5 | 178.1 | 62.2 | 0 | 0 | 0 | 111.5 | D324 T325 A329 S330 T331 K421 F423 Y432 | D324-L327 HydrophobicContact CB-CB 4.05Å; D324-L327 PolarHBondContact O-N 2.92Å; D324-L327 PolarHBondContact OD1-N 3.01Å; T325-L327 VanDerWaalsContact C-N 3.34Å; L327-A329 VanDerWaalsContact C-N 3.34Å; L327-A329 PolarHBondContact O-N 3.46Å; L327-S330 CarbonylContact O-C 3.4Å; L327-S330 PolarHBondContact O-N 2.83Å; L327-S330 VanDerWaalsContact O-N 3.09Å; L327-T331 WeakPolarHBondContact O-CB 3.35Å; L327-T331 PolarHBondContact O-N 2.89Å; L327-T331 PolarHBondContact O-OG1 3.24Å; L327-K421 HydrophobicContact CD2-CB 3.37Å; L327-K421 WeakPolarHBondContact CD2-O 3.42Å; L327-F423 HydrophobicContact CB-CB 4.17Å; L327-F423 HydrophobicContact CB-CD2 4.25Å; L327-F423 HydrophobicContact CD1-CD2 4.39Å; L327-Y432 HydrophobicContact CD1-CD1 3.99Å; L327-Y432 HydrophobicContact CD1-CG 4.46Å; L327-Y432 HydrophobicContact CD2-CD1 4.13Å; L327-Y432 HydrophobicContact CD2-CG 4.08Å |
| 328 | M | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.6 | -50.1 | 178.2 | -172.5 | 178 | -172.4 | 0 | 0 | 110.9 | L323 D324 T325 S330 T331 F334 F390 M393 L397 F418 | L323-M328 HydrophobicContact CD1-SD 4.38Å; L323-M328 HydrophobicContact CD2-SD 4.05Å; D324-M328 PolarHBondContact O-N 3.32Å; T325-M328 PolarHBondContact O-N 3.12Å; M328-S330 VanDerWaalsContact C-N 3.26Å; M328-S330 PolarHBondContact O-N 3.4Å; M328-T331 PolarHBondContact O-N 3.03Å; M328-T331 VanDerWaalsContact O-N 3.16Å; M328-F334 HydrophobicContact CE-CE2 3.76Å; M328-F334 HydrophobicContact CE-CZ 3.94Å; M328-F334 HydrophobicContact CG-CD2 4.17Å; M328-F334 HydrophobicContact CG-CE2 3.9Å; M328-F334 VanDerWaalsContact O-CD2 3.27Å; M328-F334 WeakPolarHBondContact O-CD2 3.44Å; M328-F390 HydrophobicContact SD-CD2 4.13Å; M328-M393 HydrophobicContact CB-CE 4.15Å; M328-M393 HydrophobicContact CB-SD 4.46Å; M328-M393 HydrophobicContact CE-CB 3.79Å; M328-M393 HydrophobicContact CG-CE 4.13Å; M328-M393 HydrophobicContact CG-SD 4.13Å; M328-M393 HydrophobicContact SD-CB 4.02Å; M328-M393 HydrophobicContact SD-CE 3.89Å; M328-M393 HydrophobicContact SD-SD 4.36Å; M328-L397 HydrophobicContact CE-CD1 3.89Å; M328-F418 HydrophobicContact CB-CD1 4.16Å; M328-F418 HydrophobicContact CE-CD2 4.2Å; M328-F418 HydrophobicContact CE-CE2 4.13Å; M328-F418 HydrophobicContact CG-CD1 3.97Å; M328-F418 HydrophobicContact CG-CD2 4.35Å; M328-F418 HydrophobicContact CG-CE1 4.04Å; M328-F418 HydrophobicContact CG-CE2 4.43Å; M328-F418 HydrophobicContact CG-CG 4.13Å; M328-F418 HydrophobicContact CG-CZ 4.27Å |
| 329 | A | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.2 | -29.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | T325 L327 T331 F334 K335 I338 T341 L346 M393 | T325-A329 VanDerWaalsContact O-CB 3.31Å; T325-A329 WeakPolarHBondContact O-CB 3.31Å; T325-A329 PolarHBondContact O-N 3.42Å; L327-A329 VanDerWaalsContact C-N 3.34Å; L327-A329 PolarHBondContact O-N 3.46Å; A329-T331 VanDerWaalsContact C-N 3.29Å; A329-T331 PolarHBondContact O-N 3.41Å; A329-F334 CarbonylContact O-C 3.57Å; A329-F334 WeakPolarHBondContact O-CB 3.46Å; A329-K335 PolarHBondContact O-N 3.27Å; A329-I338 HydrophobicContact CB-CD1 3.96Å; A329-I338 HydrophobicContact CB-CG2 4.42Å; A329-T341 HydrophobicContact CB-CG2 3.81Å; A329-L346 HydrophobicContact CB-CD1 3.72Å; A329-L346 HydrophobicContact CB-CD2 4.23Å; A329-M393 HydrophobicContact CB-CE 4.49Å; A329-M393 HydrophobicContact CB-SD 3.86Å |
| 330 | S | 93.9 | Very high | 95.3 | Very high | 36 Ų | 36 | 46.7 Ų | 46.7 | 25% | 0.252 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 1.2 | 179.4 | -53.6 | 0 | 0 | 0 | 0 | 113.6 | K326 L327 M328 | K326-S330 WeakPolarHBondContact O-CB 3.19Å; K326-S330 PolarHBondContact O-N 2.92Å; K326-S330 VanDerWaalsContact O-N 3.1Å; K326-S330 PolarHBondContact O-OG 3.48Å; L327-S330 CarbonylContact O-C 3.4Å; L327-S330 PolarHBondContact O-N 2.83Å; L327-S330 VanDerWaalsContact O-N 3.09Å; M328-S330 VanDerWaalsContact C-N 3.26Å; M328-S330 PolarHBondContact O-N 3.4Å |
| 331 | T | 93.4 | Very high | 95.3 | Very high | 50 Ų | 50 | 45.7 Ų | 45.7 | 31% | 0.307 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -112.9 | 152.8 | -176.4 | -56.6 | 0 | 0 | 0 | 0 | 110.2 | L327 M328 A329 F334 K335 F418 | L327-T331 WeakPolarHBondContact O-CB 3.35Å; L327-T331 PolarHBondContact O-N 2.89Å; L327-T331 PolarHBondContact O-OG1 3.24Å; M328-T331 PolarHBondContact O-N 3.03Å; M328-T331 VanDerWaalsContact O-N 3.16Å; A329-T331 VanDerWaalsContact C-N 3.29Å; A329-T331 PolarHBondContact O-N 3.41Å; T331-F334 WeakPolarHBondContact O-CA 3.31Å; T331-F334 WeakPolarHBondContact O-CB 3.29Å; T331-F334 PolarHBondContact O-N 3.03Å; T331-K335 PolarHBondContact O-N 2.98Å; T331-F418 HydrophobicContact CG2-CE1 3.89Å |
| 332 | Q | 90.8 | Very high | 95.1 | Very high | 97 Ų | 97 | 43.2 Ų | 43.2 | 45% | 0.453 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 142.1 | 174.9 | -67.6 | -68.2 | 12.2 | 0 | 0 | 111.1 | E336 | Q332-E336 PolarHBondContact NE2-OE1 2.99Š|
| 333 | P | 94.8 | Very high | 94.9 | Very high | 37 Ų | 37 | 44.1 Ų | 44.1 | 24% | 0.24 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -84.8 | -4.2 | 5.3 | 34.6 | -36 | 0 | 0 | 0 | 114.8 | K335 L397 F400 | P333-K335 PolarHBondContact O-N 3.36Å; P333-L397 HydrophobicContact CG-CD2 3.96Å; P333-F400 HydrophobicContact CB-CE2 4.39Å; P333-F400 HydrophobicContact CB-CZ 4.03Å; P333-F400 HydrophobicContact CG-CE2 3.75Å; P333-F400 HydrophobicContact CG-CZ 3.9Å |
| 334 | F | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -73.7 | -27.2 | -171.5 | -54.1 | -70.1 | 0 | 0 | 0 | 113.9 | M328 A329 T331 E336 L337 I338 F355 M393 H396 L397 F418 | M328-F334 HydrophobicContact CE-CE2 3.76Å; M328-F334 HydrophobicContact CE-CZ 3.94Å; M328-F334 HydrophobicContact CG-CD2 4.17Å; M328-F334 HydrophobicContact CG-CE2 3.9Å; M328-F334 VanDerWaalsContact O-CD2 3.27Å; M328-F334 WeakPolarHBondContact O-CD2 3.44Å; A329-F334 CarbonylContact O-C 3.57Å; A329-F334 WeakPolarHBondContact O-CB 3.46Å; T331-F334 WeakPolarHBondContact O-CA 3.31Å; T331-F334 WeakPolarHBondContact O-CB 3.29Å; T331-F334 PolarHBondContact O-N 3.03Å; F334-E336 PolarHBondContact O-N 2.95Å; F334-E336 VanDerWaalsContact O-N 3.07Å; F334-L337 CarbonylContact O-C 3.46Å; F334-L337 PolarHBondContact O-N 3.47Å; F334-I338 HydrophobicContact CB-CD1 3.97Å; F334-I338 HydrophobicContact CB-CG1 4.41Å; F334-I338 HydrophobicContact CD1-CD1 4.44Å; F334-I338 PolarHBondContact O-N 3.21Å; F334-F355 AromaticContact CD1-CE1 3.71Å; F334-F355 HydrophobicContact CD1-CE1 3.71Å; F334-F355 AromaticContact CD1-CZ 3.97Å; F334-F355 HydrophobicContact CD1-CZ 3.97Å; F334-F355 AromaticContact CE1-CE1 3.81Å; F334-F355 HydrophobicContact CE1-CE1 3.81Å; F334-M393 HydrophobicContact CD1-CB 4.38Å; F334-M393 HydrophobicContact CD1-CG 4.1Å; F334-M393 HydrophobicContact CD1-SD 4.37Å; F334-M393 HydrophobicContact CD2-SD 4.48Å; F334-M393 HydrophobicContact CE1-CB 3.72Å; F334-M393 HydrophobicContact CE1-CG 3.91Å; F334-M393 HydrophobicContact CE2-CB 4.3Å; F334-M393 HydrophobicContact CG-SD 4.3Å; F334-M393 HydrophobicContact CZ-CB 3.66Å; F334-M393 HydrophobicContact CZ-CG 4.25Å; F334-M393 VanDerWaalsContact CZ-O 3.29Å; F334-M393 WeakPolarHBondContact CZ-O 3.06Å; F334-H396 HydrophobicContact CE1-CB 4.32Å; F334-H396 AromaticContact CE1-CD2 3.83Å; F334-L397 HydrophobicContact CE1-CD2 4.49Å; F334-L397 HydrophobicContact CE2-CD1 4.5Å; F334-L397 HydrophobicContact CE2-CD2 3.87Å; F334-L397 HydrophobicContact CE2-CG 4.29Å; F334-L397 HydrophobicContact CZ-CD1 4.32Å; F334-L397 HydrophobicContact CZ-CD2 3.56Å; F334-L397 HydrophobicContact CZ-CG 3.74Å; F334-F418 HydrophobicContact CE2-CZ 4.25Å |
| 335 | K | 90.3 | Very high | 94.4 | Very high | 134 Ų | 134 | 48.9 Ų | 48.9 | 58% | 0.583 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -54.4 | -29 | 179.3 | -171.1 | 177.6 | -178.9 | 177 | 0 | 113.6 | A329 T331 P333 | A329-K335 PolarHBondContact O-N 3.27Å; T331-K335 PolarHBondContact O-N 2.98Å; P333-K335 PolarHBondContact O-N 3.36Å |
| 336 | E | 91.4 | Very high | 94.2 | Very high | 147 Ų | 147 | 48.9 Ų | 48.9 | 69% | 0.687 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -86.4 | -19.1 | 177.6 | -69.7 | 176.8 | -167.1 | 0 | 0 | 113.5 | Q332 F334 | Q332-E336 PolarHBondContact NE2-OE1 2.99Å; F334-E336 PolarHBondContact O-N 2.95Å; F334-E336 VanDerWaalsContact O-N 3.07Å |
| 337 | L | 93.1 | Very high | 94.1 | Very high | 68 Ų | 68 | 48.2 Ų | 48.2 | 36% | 0.356 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -24.8 | -174.6 | -58.9 | 175.9 | 0 | 0 | 0 | 112.5 | F334 P354 F355 | F334-L337 CarbonylContact O-C 3.46Å; F334-L337 PolarHBondContact O-N 3.47Å; L337-P354 HydrophobicContact CD1-CG 3.84Å; L337-P354 HydrophobicContact CD2-CG 4.15Å; L337-F355 HydrophobicContact CB-CE2 4.18Å; L337-F355 HydrophobicContact CB-CZ 4.01Å; L337-F355 HydrophobicContact CD1-CZ 4Å |
| 338 | I | 93.6 | Very high | 93.9 | Very high | 7 Ų | 7 | 51.9 Ų | 51.9 | 4% | 0.036 | 27% | 0.271 | C | S | . | . | trans | -119.6 | 114.4 | -173.1 | -55.4 | -178.9 | 0 | 0 | 0 | 108.7 | A329 F334 N340 T341 L346 V350 F355 M393 | A329-I338 HydrophobicContact CB-CD1 3.96Å; A329-I338 HydrophobicContact CB-CG2 4.42Å; F334-I338 HydrophobicContact CB-CD1 3.97Å; F334-I338 HydrophobicContact CB-CG1 4.41Å; F334-I338 HydrophobicContact CD1-CD1 4.44Å; F334-I338 PolarHBondContact O-N 3.21Å; I338-N340 WeakPolarHBondContact CG2-O 3.11Å; I338-T341 HydrophobicContact CG2-CG2 4.09Å; I338-L346 HydrophobicContact CD1-CD1 3.65Å; I338-L346 HydrophobicContact CG2-CD1 3.84Å; I338-V350 HydrophobicContact CD1-CG1 4.17Å; I338-F355 HydrophobicContact CD1-CE2 4.44Å; I338-F355 HydrophobicContact CD1-CZ 3.96Å; I338-F355 HydrophobicContact CG1-CE2 4.15Å; I338-F355 HydrophobicContact CG1-CZ 3.97Å; I338-M393 HydrophobicContact CD1-SD 4.1Å | ||
| 339 | N | 91.4 | Very high | 93.7 | Very high | 148 Ų | 148 | 53.1 Ų | 53.1 | 79% | 0.791 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -91.9 | -28.9 | -174.2 | -64.4 | -34.4 | 0 | 0 | 0 | 112.7 | ||
| 340 | N | 91.1 | Very high | 93.6 | Very high | 77 Ų | 77 | 53.3 Ų | 53.3 | 41% | 0.412 | 28% | 0.278 | S | S | . | . | trans | -128.3 | 129.4 | 178.3 | -173.9 | -9 | 0 | 0 | 0 | 109.8 | I338 S342 E345 Q349 | I338-N340 WeakPolarHBondContact CG2-O 3.11Å; N340-S342 PolarHBondContact OD1-N 2.82Å; N340-S342 PolarHBondContact OD1-OG 2.89Å; N340-E345 HydrophobicContact CB-CB 4.14Å; N340-E345 HydrophobicContact CB-CG 3.62Å; N340-Q349 PolarHBondContact O-NE2 3.12Å | ||
| 341 | T | 95.5 | Very high | 93.6 | Very high | 21 Ų | 21 | 55.7 Ų | 55.7 | 13% | 0.129 | 28% | 0.284 | C | S | . | . | trans | -112.2 | 21 | -175.6 | 62.8 | 0 | 0 | 0 | 0 | 112.6 | H287 K326 A329 I338 | H287-T341 PolarHBondContact CE1-O 2.9Å; H287-T341 PolarHBondContact NE2-O 3.14Å; H287-T341 VanDerWaalsContact NE2-O 3.11Å; K326-T341 VanDerWaalsContact NZ-C 3.32Å; K326-T341 PolarHBondContact NZ-O 3.09Å; K326-T341 PolarHBondContact NZ-OG1 2.98Å; A329-T341 HydrophobicContact CB-CG2 3.81Å; I338-T341 HydrophobicContact CG2-CG2 4.09Å | ||
| 342 | S | 94.9 | Very high | 93.7 | Very high | 48 Ų | 48 | 59.5 Ų | 59.5 | 34% | 0.336 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -66.1 | 145.9 | 161.2 | 65.2 | 0 | 0 | 0 | 0 | 109.3 | N340 A344 E345 L346 | N340-S342 PolarHBondContact OD1-N 2.82Å; N340-S342 PolarHBondContact OD1-OG 2.89Å; S342-A344 PolarHBondContact O-N 3.39Å; S342-E345 PolarHBondContact O-N 3.34Å; S342-E345 VanDerWaalsContact OG-CB 3.25Å; S342-E345 WeakPolarHBondContact OG-CB 3.25Å; S342-L346 WeakPolarHBondContact O-CB 3.29Å; S342-L346 PolarHBondContact O-N 3.43Å |
| 343 | L | 95.4 | Very high | 93.7 | Very high | 19 Ų | 19 | 61.3 Ų | 61.3 | 10% | 0.099 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56.2 | -47.8 | -173 | -175.8 | 59.6 | 0 | 0 | 0 | 112.7 | H287 E345 L346 E347 D382 I385 | H287-L343 HydrophobicContact CB-CD1 4.19Å; H287-L343 PolarHBondContact NE2-N 2.92Å; L343-E345 VanDerWaalsContact C-N 3.34Å; L343-E345 PolarHBondContact O-N 3.32Å; L343-L346 PolarHBondContact O-N 3.11Å; L343-E347 WeakPolarHBondContact O-CB 3.29Å; L343-E347 PolarHBondContact O-N 2.88Å; L343-D382 HydrophobicContact CD2-CB 3.94Å; L343-I385 HydrophobicContact CD1-CG2 3.88Å; L343-I385 HydrophobicContact CD2-CG2 4.4Å; L343-I385 HydrophobicContact CG-CG2 3.94Å |
| 344 | A | 91.9 | Very high | 93.7 | Very high | 30 Ų | 30 | 62.3 Ų | 62.3 | 25% | 0.248 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.1 | -39 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S342 K348 L376 | S342-A344 PolarHBondContact O-N 3.39Å; A344-K348 WeakPolarHBondContact O-CG 3.32Å; A344-K348 PolarHBondContact O-N 3.46Å; A344-L376 HydrophobicContact CB-CD1 3.65Å; A344-L376 HydrophobicContact CB-CD2 4.21Å |
| 345 | E | 93.8 | Very high | 93.7 | Very high | 72 Ų | 72 | 62.7 Ų | 62.7 | 34% | 0.336 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -82.2 | -30.8 | -179.6 | -166.3 | 54.7 | -145.3 | 0 | 0 | 111.9 | N340 S342 L343 E347 K348 Q349 | N340-E345 HydrophobicContact CB-CB 4.14Å; N340-E345 HydrophobicContact CB-CG 3.62Å; S342-E345 PolarHBondContact O-N 3.34Å; S342-E345 VanDerWaalsContact OG-CB 3.25Å; S342-E345 WeakPolarHBondContact OG-CB 3.25Å; L343-E345 VanDerWaalsContact C-N 3.34Å; L343-E345 PolarHBondContact O-N 3.32Å; E345-E347 VanDerWaalsContact C-N 3.34Å; E345-K348 PolarHBondContact O-N 3.18Å; E345-Q349 WeakPolarHBondContact O-CG 3.26Å; E345-Q349 PolarHBondContact O-N 3.16Å; E345-Q349 PolarHBondContact O-NE2 3.05Å |
| 346 | L | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 171.8 | 178.8 | 62.5 | 0 | 0 | 0 | 110 | A329 I338 S342 L343 K348 Q349 V350 C389 M393 | A329-L346 HydrophobicContact CB-CD1 3.72Å; A329-L346 HydrophobicContact CB-CD2 4.23Å; I338-L346 HydrophobicContact CD1-CD1 3.65Å; I338-L346 HydrophobicContact CG2-CD1 3.84Å; S342-L346 WeakPolarHBondContact O-CB 3.29Å; S342-L346 PolarHBondContact O-N 3.43Å; L343-L346 PolarHBondContact O-N 3.11Å; L346-K348 VanDerWaalsContact C-N 3.28Å; L346-K348 PolarHBondContact O-N 3.49Å; L346-Q349 PolarHBondContact O-N 3.02Å; L346-V350 HydrophobicContact CD1-CG1 3.77Å; L346-V350 HydrophobicContact CG-CG1 4.29Å; L346-V350 WeakPolarHBondContact O-CG1 3.33Å; L346-V350 VanDerWaalsContact O-CG2 3.25Å; L346-V350 WeakPolarHBondContact O-CG2 3.43Å; L346-V350 PolarHBondContact O-N 2.88Å; L346-C389 HydrophobicContact CD2-CB 4.04Å; L346-C389 HydrophobicContact CG-CB 4.25Å; L346-M393 HydrophobicContact CD2-CE 4.44Å |
| 347 | E | 95.1 | Very high | 93.7 | Very high | 17 Ų | 17 | 60.8 Ų | 60.8 | 8% | 0.079 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -54.4 | -43.5 | 176.8 | -164 | -85.8 | 178.2 | 0 | 0 | 112.4 | L343 E345 V350 K351 I385 | L343-E347 WeakPolarHBondContact O-CB 3.29Å; L343-E347 PolarHBondContact O-N 2.88Å; E345-E347 VanDerWaalsContact C-N 3.34Å; E347-V350 WeakPolarHBondContact O-CG2 3.46Å; E347-K351 WeakPolarHBondContact O-CG 3.37Å; E347-K351 WeakPolarHBondContact OE1-CE 3.45Å; E347-K351 IonicContact OE1-NZ 2.86Å; E347-K351 PolarHBondContact OE1-NZ 3.02Å; E347-K351 WeakPolarHBondContact OE2-CE 3.25Å; E347-K351 IonicContact OE2-NZ 3.06Å; E347-K351 PolarHBondContact OE2-NZ 2.84Å; E347-I385 HydrophobicContact CB-CG2 3.8Å; E347-I385 HydrophobicContact CG-CD1 4.11Å; E347-I385 HydrophobicContact CG-CG2 3.44Å; E347-I385 VanDerWaalsContact CG-CG2 3.44Å |
| 348 | K | 93.6 | Very high | 93.7 | Very high | 82 Ų | 82 | 58.6 Ų | 58.6 | 36% | 0.357 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.1 | -51.6 | 177.6 | -69.6 | 172.7 | -176.2 | 177.9 | 0 | 111.3 | A344 E345 L346 V350 K351 E374 | A344-K348 WeakPolarHBondContact O-CG 3.32Å; A344-K348 PolarHBondContact O-N 3.46Å; E345-K348 PolarHBondContact O-N 3.18Å; L346-K348 VanDerWaalsContact C-N 3.28Å; L346-K348 PolarHBondContact O-N 3.49Å; K348-V350 PolarHBondContact O-N 3.07Å; K348-K351 WeakPolarHBondContact O-CB 3.16Å; K348-K351 PolarHBondContact O-N 3.48Å; K348-E374 WeakPolarHBondContact CE-OE1 3.4Å; K348-E374 IonicContact NZ-OE1 3.99Å; K348-E374 PolarHBondContact NZ-OE1 3.44Å |
| 349 | Q | 95.3 | Very high | 93.7 | Very high | 26 Ų | 26 | 64.8 Ų | 64.8 | 12% | 0.121 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.5 | -37.9 | -178.1 | -74.7 | 167.9 | 98.9 | 0 | 0 | 112.9 | N340 E345 L346 K351 E352 | N340-Q349 PolarHBondContact O-NE2 3.12Å; E345-Q349 WeakPolarHBondContact O-CG 3.26Å; E345-Q349 PolarHBondContact O-N 3.16Å; E345-Q349 PolarHBondContact O-NE2 3.05Å; L346-Q349 PolarHBondContact O-N 3.02Å; Q349-K351 PolarHBondContact O-N 3.45Å; Q349-E352 PolarHBondContact O-N 2.89Å; Q349-E352 VanDerWaalsContact O-N 3.07Å |
| 350 | V | 95.4 | Very high | 93.8 | Very high | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.024 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -0.1 | -179 | -58.6 | 0 | 0 | 0 | 0 | 114.1 | I338 L346 E347 K348 F355 S392 M393 | I338-V350 HydrophobicContact CD1-CG1 4.17Å; L346-V350 HydrophobicContact CD1-CG1 3.77Å; L346-V350 HydrophobicContact CG-CG1 4.29Å; L346-V350 WeakPolarHBondContact O-CG1 3.33Å; L346-V350 VanDerWaalsContact O-CG2 3.25Å; L346-V350 WeakPolarHBondContact O-CG2 3.43Å; L346-V350 PolarHBondContact O-N 2.88Å; E347-V350 WeakPolarHBondContact O-CG2 3.46Å; K348-V350 PolarHBondContact O-N 3.07Å; V350-F355 HydrophobicContact CB-CG 4.38Å; V350-F355 WeakPolarHBondContact O-CB 3.46Å; V350-S392 PolarHBondContact O-OG 3.37Å; V350-M393 HydrophobicContact CG1-CG 4.16Å |
| 351 | K | 93.8 | Very high | 93.9 | Very high | 85 Ų | 85 | 60.2 Ų | 60.2 | 37% | 0.37 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -16.7 | 167 | -70.8 | 169.5 | 172.4 | 168.5 | 0 | 112.7 | E347 K348 Q349 P357 | E347-K351 WeakPolarHBondContact O-CG 3.37Å; E347-K351 WeakPolarHBondContact OE1-CE 3.45Å; E347-K351 IonicContact OE1-NZ 2.86Å; E347-K351 PolarHBondContact OE1-NZ 3.02Å; E347-K351 WeakPolarHBondContact OE2-CE 3.25Å; E347-K351 IonicContact OE2-NZ 3.06Å; E347-K351 PolarHBondContact OE2-NZ 2.84Å; K348-K351 WeakPolarHBondContact O-CB 3.16Å; K348-K351 PolarHBondContact O-N 3.48Å; Q349-K351 PolarHBondContact O-N 3.45Å; K351-P357 HydrophobicContact CG-CB 4.36Å |
| 352 | E | 94.3 | Very high | 93.8 | Very high | 131 Ų | 131 | 60.6 Ų | 60.6 | 61% | 0.612 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -94.2 | 165 | -176.6 | -61.1 | -174 | 170.8 | 0 | 0 | 112.2 | Q349 F355 | Q349-E352 PolarHBondContact O-N 2.89Å; Q349-E352 VanDerWaalsContact O-N 3.07Å; E352-F355 CarbonylContact O-C 3.49Å; E352-F355 VanDerWaalsContact O-CA 3.31Å; E352-F355 WeakPolarHBondContact O-CA 3.24Å; E352-F355 VanDerWaalsContact O-CB 3.26Å; E352-F355 WeakPolarHBondContact O-CB 3.32Å; E352-F355 PolarHBondContact O-N 3.31Å |
| 353 | T | 92 | Very high | 93.7 | Very high | 135 Ų | 135 | 59 Ų | 59 | 83% | 0.828 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 134.8 | 177 | -62.4 | 0 | 0 | 0 | 0 | 109.8 | ||
| 354 | P | 94.6 | Very high | 93.3 | Very high | 57 Ų | 57 | 67.6 Ų | 67.6 | 37% | 0.37 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -92.8 | 7.8 | 15.2 | 38.2 | -38.6 | 0 | 0 | 0 | 115.8 | L337 H396 | L337-P354 HydrophobicContact CD1-CG 3.84Å; L337-P354 HydrophobicContact CD2-CG 4.15Å; P354-H396 PolarHBondContact O-ND1 3.16Å |
| 355 | F | 96.3 | Very high | 92.8 | Very high | 9 Ų | 9 | 69.6 Ų | 69.6 | 4% | 0.039 | 37% | 0.37 | C | S | . | . | trans | -79.8 | 167.8 | 175.1 | -51.1 | -79.8 | 0 | 0 | 0 | 111.2 | F334 L337 I338 V350 E352 M393 H396 | F334-F355 AromaticContact CD1-CE1 3.71Å; F334-F355 HydrophobicContact CD1-CE1 3.71Å; F334-F355 AromaticContact CD1-CZ 3.97Å; F334-F355 HydrophobicContact CD1-CZ 3.97Å; F334-F355 AromaticContact CE1-CE1 3.81Å; F334-F355 HydrophobicContact CE1-CE1 3.81Å; L337-F355 HydrophobicContact CB-CE2 4.18Å; L337-F355 HydrophobicContact CB-CZ 4.01Å; L337-F355 HydrophobicContact CD1-CZ 4Å; I338-F355 HydrophobicContact CD1-CE2 4.44Å; I338-F355 HydrophobicContact CD1-CZ 3.96Å; I338-F355 HydrophobicContact CG1-CE2 4.15Å; I338-F355 HydrophobicContact CG1-CZ 3.97Å; V350-F355 HydrophobicContact CB-CG 4.38Å; V350-F355 WeakPolarHBondContact O-CB 3.46Å; E352-F355 CarbonylContact O-C 3.49Å; E352-F355 VanDerWaalsContact O-CA 3.31Å; E352-F355 WeakPolarHBondContact O-CA 3.24Å; E352-F355 VanDerWaalsContact O-CB 3.26Å; E352-F355 WeakPolarHBondContact O-CB 3.32Å; E352-F355 PolarHBondContact O-N 3.31Å; F355-M393 HydrophobicContact CE1-CG 4.5Å; F355-H396 HydrophobicContact CD1-CB 3.72Å; F355-H396 AromaticContact CD1-CG 3.86Å; F355-H396 HydrophobicContact CE1-CB 3.96Å; F355-H396 AromaticContact CE1-CD2 3.99Å; F355-H396 AromaticContact CE1-CG 3.82Å | ||
| 356 | K | 91.2 | Very high | 92.4 | Very high | 169 Ų | 169 | 67.5 Ų | 67.5 | 74% | 0.735 | 36% | 0.359 | S | S | * | . | trans | -135.8 | 129.2 | 173.6 | -66.8 | -177.4 | -178.2 | 177.5 | 0 | 108.7 | ||||
| 357 | P | 90.1 | Very high | 91.8 | Very high | 72 Ų | 72 | 70.8 Ų | 70.8 | 47% | 0.468 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -63 | 132.6 | 177.9 | 25.6 | -33.1 | 0 | 0 | 0 | 109.9 | K351 | K351-P357 HydrophobicContact CG-CB 4.36Š|
| 358 | P | 92.3 | Very high | 91.1 | Very high | 22 Ų | 22 | 74.3 Ų | 74.3 | 14% | 0.143 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 145.5 | 178.7 | 28.6 | -35.3 | 0 | 0 | 0 | 111 | V360 L388 I391 S392 | P358-V360 PolarHBondContact O-N 3.19Å; P358-L388 HydrophobicContact CG-CD2 4.01Å; P358-I391 HydrophobicContact CB-CB 4.32Å; P358-I391 HydrophobicContact CB-CG2 3.51Å; P358-I391 HydrophobicContact CG-CB 4.23Å; P358-I391 HydrophobicContact CG-CG2 3.95Å; P358-S392 VanDerWaalsContact CD-OG 3.27Å; P358-S392 WeakPolarHBondContact CD-OG 3.47Å |
| 359 | Q | 93.5 | Very high | 90.6 | Very high | 137 Ų | 137 | 71.7 Ų | 71.7 | 64% | 0.64 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -74.1 | 120.9 | 169.1 | -63.8 | -62.2 | -46 | 0 | 0 | 108.6 | K82 Y83 | K82-Q359 CarbonylContact C-O 3.53Å; K82-Q359 WeakPolarHBondContact CA-O 3.43Å; K82-Q359 HydrophobicContact CB-CB 3.83Å; K82-Q359 WeakPolarHBondContact CB-O 3.28Å; Y83-Q359 PolarHBondContact N-O 2.83Å |
| 360 | V | 93.8 | Very high | 89.5 | Confident | 46 Ų | 46 | 73.9 Ų | 73.9 | 28% | 0.279 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 142.5 | -175.7 | 62.9 | 0 | 0 | 0 | 0 | 110.7 | Y83 T85 P358 Y384 L388 | Y83-V360 CarbonylContact O-C 3.49Å; Y83-V360 WeakPolarHBondContact O-CA 3.44Å; T85-V360 HydrophobicContact CG2-CG2 3.49Å; T85-V360 VanDerWaalsContact CG2-CG2 3.49Å; P358-V360 PolarHBondContact O-N 3.19Å; V360-Y384 WeakPolarHBondContact CG1-OH 3.34Å; V360-Y384 HydrophobicContact CG2-CE2 4.03Å; V360-L388 HydrophobicContact CB-CD2 4.21Å; V360-L388 HydrophobicContact CG1-CD2 4.07Å; V360-L388 HydrophobicContact CG2-CD2 4.23Å |
| 361 | E | 94.2 | Very high | 88.2 | Confident | 83 Ų | 83 | 76 Ų | 76 | 39% | 0.388 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 135.4 | 175.1 | 177.4 | -179.8 | -111.1 | 0 | 0 | 108.9 | K82 Y83 I84 T85 | K82-E361 HydrophobicContact CD-CB 4.24Å; K82-E361 WeakPolarHBondContact CE-OE2 3.43Å; K82-E361 IonicContact NZ-OE1 3.65Å; K82-E361 PolarHBondContact NZ-OE1 3.06Å; K82-E361 IonicContact NZ-OE2 3.83Å; K82-E361 PolarHBondContact NZ-OE2 2.71Å; Y83-E361 PolarHBondContact O-N 3.49Å; I84-E361 CarbonylContact C-O 3.58Å; I84-E361 VanDerWaalsContact CA-O 3.26Å; I84-E361 WeakPolarHBondContact CA-O 3.24Å; T85-E361 PolarHBondContact N-O 3.18Å |
| 362 | T | 93.1 | Very high | 86.7 | Confident | 28 Ų | 28 | 75.8 Ų | 75.8 | 17% | 0.172 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 136.3 | 171.1 | -55.8 | 0 | 0 | 0 | 0 | 110 | F366 | T362-F366 HydrophobicContact CG2-CB 3.54Å |
| 363 | A | 92.1 | Very high | 85.1 | Confident | 15 Ų | 15 | 75.6 Ų | 75.6 | 12% | 0.124 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 148.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I84 T85 K86 G365 F366 | I84-A363 HydrophobicContact CG2-CB 3.86Å; T85-A363 PolarHBondContact O-N 3.09Å; K86-A363 HydrophobicContact CD-CB 4.4Å; K86-A363 HydrophobicContact CG-CB 3.68Å; A363-G365 PolarHBondContact O-N 3.1Å; A363-F366 HydrophobicContact CB-CD2 3.93Å; A363-F366 HydrophobicContact CB-CG 4.5Å; A363-F366 WeakPolarHBondContact O-CB 3.47Å; A363-F366 PolarHBondContact O-N 2.74Å |
| 364 | E | 86.9 | Confident | 83.9 | Confident | 200 Ų | 200 | 74.1 Ų | 74.1 | 94% | 0.935 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 133.7 | 177.7 | -170.1 | 175.4 | -175.9 | 0 | 0 | 111.3 | F366 | E364-F366 VanDerWaalsContact C-N 3.31Å; E364-F366 PolarHBondContact O-N 3.39Å |
| 365 | G | 81.8 | Confident | 82.9 | Confident | 72 Ų | 72 | 75.1 Ų | 75.1 | 74% | 0.742 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | 2.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | A363 | A363-G365 PolarHBondContact O-N 3.1Š|
| 366 | F | 86 | Confident | 81.6 | Confident | 28 Ų | 28 | 76.1 Ų | 76.1 | 12% | 0.123 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -99.6 | 145.2 | 171.7 | -80.1 | -104.3 | 0 | 0 | 0 | 111.7 | M1 T14 K86 F88 T362 A363 E364 S368 | M1-F366 HydrophobicContact CE-CD1 3.54Å; M1-F366 HydrophobicContact CE-CD2 3.65Å; M1-F366 HydrophobicContact CE-CE1 3.3Å; M1-F366 HydrophobicContact CE-CE2 3.44Å; M1-F366 VanDerWaalsContact CE-CE2 3.44Å; M1-F366 HydrophobicContact CE-CG 3.7Å; M1-F366 HydrophobicContact CE-CZ 3.26Å; M1-F366 HydrophobicContact CG-CD1 3.73Å; M1-F366 HydrophobicContact CG-CE1 3.81Å; M1-F366 HydrophobicContact SD-CD1 3.9Å; M1-F366 HydrophobicContact SD-CE1 3.4Å; M1-F366 WeakPolarHBondContact SD-CE1 3.38Å; M1-F366 HydrophobicContact SD-CZ 3.78Å; T14-F366 HydrophobicContact CG2-CE2 4.2Å; T14-F366 HydrophobicContact CG2-CZ 3.7Å; K86-F366 HydrophobicContact CB-CD1 3.83Å; K86-F366 HydrophobicContact CB-CE1 3.54Å; K86-F366 HydrophobicContact CB-CE2 4.32Å; K86-F366 HydrophobicContact CB-CG 4.35Å; K86-F366 HydrophobicContact CB-CZ 3.79Å; K86-F366 HydrophobicContact CD-CE2 3.99Å; K86-F366 HydrophobicContact CD-CZ 3.88Å; K86-F366 HydrophobicContact CG-CD1 4.29Å; K86-F366 HydrophobicContact CG-CD2 4.15Å; K86-F366 HydrophobicContact CG-CE1 4.05Å; K86-F366 HydrophobicContact CG-CE2 3.89Å; K86-F366 HydrophobicContact CG-CG 4.34Å; K86-F366 HydrophobicContact CG-CZ 3.83Å; F88-F366 HydrophobicContact CD1-CE1 4.34Å; F88-F366 AromaticContact CE1-CE1 3.58Å; F88-F366 HydrophobicContact CE1-CE1 3.58Å; F88-F366 HydrophobicContact CE1-CZ 4.03Å; F88-F366 HydrophobicContact CE2-CE1 4.02Å; F88-F366 AromaticContact CZ-CE1 3.4Å; F88-F366 HydrophobicContact CZ-CE1 3.4Å; F88-F366 VanDerWaalsContact CZ-CE1 3.4Å; F88-F366 AromaticContact CZ-CZ 3.7Å; F88-F366 HydrophobicContact CZ-CZ 3.7Å; T362-F366 HydrophobicContact CG2-CB 3.54Å; A363-F366 HydrophobicContact CB-CD2 3.93Å; A363-F366 HydrophobicContact CB-CG 4.5Å; A363-F366 WeakPolarHBondContact O-CB 3.47Å; A363-F366 PolarHBondContact O-N 2.74Å; E364-F366 VanDerWaalsContact C-N 3.31Å; E364-F366 PolarHBondContact O-N 3.39Å; F366-S368 PolarHBondContact O-N 2.69Å |
| 367 | P | 82.6 | Confident | 81.1 | Confident | 69 Ų | 69 | 71.1 Ų | 71.1 | 45% | 0.448 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 123.8 | 169.8 | -16.6 | 29.8 | 0 | 0 | 0 | 109.7 | M1 | M1-P367 HydrophobicContact CG-CG 4.43Š|
| 368 | S | 80.9 | Confident | 81.2 | Confident | 90 Ų | 90 | 69.2 Ų | 69.2 | 63% | 0.629 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -86.1 | 139.6 | 173.5 | 58 | 0 | 0 | 0 | 0 | 110.5 | F366 | F366-S368 PolarHBondContact O-N 2.69Š|
| 369 | Y | 81.6 | Confident | 81.4 | Confident | 27 Ų | 27 | 68.2 Ų | 68.2 | 11% | 0.106 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -87.6 | 137 | 168.8 | -66.2 | -62.9 | 0 | 0 | 0 | 110.8 | P87 N89 E378 Y381 Y384 | P87-Y369 HydrophobicContact CB-CD2 4.29Å; P87-Y369 HydrophobicContact CB-CE2 3.51Å; P87-Y369 HydrophobicContact CG-CD2 4.1Å; P87-Y369 HydrophobicContact CG-CE2 3.65Å; N89-Y369 PolarHBondContact ND2-OH 2.96Å; Y369-E378 VanDerWaalsContact CE1-OE2 3.25Å; Y369-E378 WeakPolarHBondContact CE1-OE2 3.31Å; Y369-E378 VanDerWaalsContact CZ-OE2 3.31Å; Y369-E378 VanDerWaalsContact OH-CD 3.26Å; Y369-E378 PolarHBondContact OH-OE1 3.43Å; Y369-E378 PolarHBondContact OH-OE2 3.48Å; Y369-Y381 AromaticContact CD1-CD2 3.61Å; Y369-Y381 HydrophobicContact CD1-CD2 3.61Å; Y369-Y381 HydrophobicContact CD1-CE2 4.46Å; Y369-Y381 HydrophobicContact CD1-CG 4.46Å; Y369-Y381 HydrophobicContact CD2-CD2 4.11Å; Y369-Y381 HydrophobicContact CE1-CD2 4.12Å; Y369-Y381 AromaticContact CG-CD2 3.61Å; Y369-Y381 HydrophobicContact CG-CD2 3.61Å; Y369-Y381 HydrophobicContact CG-CE2 4.3Å; Y369-Y381 PolarHBondContact OH-N 3.02Å; Y369-Y384 AromaticContact CD2-CD1 3.97Å; Y369-Y384 HydrophobicContact CD2-CD1 3.97Å; Y369-Y384 HydrophobicContact CD2-CG 4.09Å |
| 370 | D | 72.2 | Confident | 81.5 | Confident | 73 Ų | 73 | 61.7 Ų | 61.7 | 39% | 0.39 | 35% | 0.35 | S | S | . | . | trans | -95.2 | 109.5 | 166.9 | -177 | 1.6 | 0 | 0 | 0 | 108.7 | A372 Q373 | D370-A372 PolarHBondContact O-N 3.02Å; D370-A372 VanDerWaalsContact O-N 3.08Å; D370-A372 VanDerWaalsContact OD1-CB 3.27Å; D370-A372 WeakPolarHBondContact OD1-CB 3.23Å; D370-A372 PolarHBondContact OD1-N 3.14Å; D370-Q373 HydrophobicContact CB-CB 4.46Å; D370-Q373 HydrophobicContact CB-CG 4.16Å; D370-Q373 PolarHBondContact O-N 3.33Å; D370-Q373 PolarHBondContact OD2-NE2 3.47Å; D370-Q373 VanDerWaalsContact OD2-NE2 3.1Å | ||
| 371 | T | 68.9 | Low | 81.6 | Confident | 47 Ų | 47 | 59.7 Ų | 59.7 | 29% | 0.288 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -62.9 | -13.8 | 178.5 | 53.4 | 0 | 0 | 0 | 0 | 113 | Y384 I385 L388 | T371-Y384 HydrophobicContact CG2-CE1 3.99Å; T371-I385 HydrophobicContact CG2-CD1 4.01Å; T371-L388 HydrophobicContact CG2-CD1 4.47Å |
| 372 | A | 61.8 | Low | 81.7 | Confident | 82 Ų | 82 | 56.3 Ų | 56.3 | 68% | 0.678 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -79 | -17.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | D370 | D370-A372 PolarHBondContact O-N 3.02Å; D370-A372 VanDerWaalsContact O-N 3.08Å; D370-A372 VanDerWaalsContact OD1-CB 3.27Å; D370-A372 WeakPolarHBondContact OD1-CB 3.23Å; D370-A372 PolarHBondContact OD1-N 3.14Å |
| 373 | Q | 61.5 | Low | 82 | Confident | 127 Ų | 127 | 55 Ų | 55 | 59% | 0.593 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -96.9 | 5.7 | -176.1 | -65.9 | -178.7 | 22.3 | 0 | 0 | 113.7 | D370 Q375 | D370-Q373 HydrophobicContact CB-CB 4.46Å; D370-Q373 HydrophobicContact CB-CG 4.16Å; D370-Q373 PolarHBondContact O-N 3.33Å; D370-Q373 PolarHBondContact OD2-NE2 3.47Å; D370-Q373 VanDerWaalsContact OD2-NE2 3.1Å; Q373-Q375 PolarHBondContact O-N 3.28Å |
| 374 | E | 67.1 | Low | 82.2 | Confident | 103 Ų | 103 | 54.8 Ų | 54.8 | 48% | 0.481 | 31% | 0.31 | S | S | . | . | trans | 33.1 | 71.4 | 178.3 | -70.4 | -171.4 | 169.1 | 0 | 0 | 113.6 | K348 L376 | K348-E374 WeakPolarHBondContact CE-OE1 3.4Å; K348-E374 IonicContact NZ-OE1 3.99Å; K348-E374 PolarHBondContact NZ-OE1 3.44Å; E374-L376 PolarHBondContact O-N 3.01Å; E374-L376 VanDerWaalsContact O-N 3.11Å | ||
| 375 | Q | 73.6 | Confident | 82.7 | Confident | 79 Ų | 79 | 45.3 Ų | 45.3 | 37% | 0.369 | 27% | 0.266 | S | S | . | . | trans | -84.9 | 44.4 | 174 | -64.7 | -179.6 | 9 | 0 | 0 | 111.8 | Q373 Y381 | Q373-Q375 PolarHBondContact O-N 3.28Å; Q375-Y381 HydrophobicContact CB-CD1 4.32Å; Q375-Y381 HydrophobicContact CB-CD2 4.01Å; Q375-Y381 HydrophobicContact CB-CE2 4.27Å; Q375-Y381 HydrophobicContact CB-CG 4.03Å; Q375-Y381 WeakPolarHBondContact O-CB 3.49Å; Q375-Y381 WeakPolarHBondContact O-CD1 3.46Å; Q375-Y381 VanDerWaalsContact O-CG 3.27Å | ||
| 376 | L | 69.4 | Low | 83.5 | Confident | 29 Ų | 29 | 41.9 Ų | 41.9 | 15% | 0.152 | 23% | 0.23 | C | C | . | . | trans | -60.4 | 150.6 | 179.6 | -68.7 | 164.9 | 0 | 0 | 0 | 110.3 | A344 E374 Y381 | A344-L376 HydrophobicContact CB-CD1 3.65Å; A344-L376 HydrophobicContact CB-CD2 4.21Å; E374-L376 PolarHBondContact O-N 3.01Å; E374-L376 VanDerWaalsContact O-N 3.11Å; L376-Y381 HydrophobicContact CD2-CD1 4.41Å; L376-Y381 HydrophobicContact CD2-CE1 3.88Å; L376-Y381 HydrophobicContact CG-CE1 4.1Å | ||
| 377 | H | 80.2 | Confident | 84.1 | Confident | 64 Ų | 64 | 40.6 Ų | 40.6 | 30% | 0.296 | 23% | 0.225 | S | C | . | . | S | Bend | trans | 71.4 | 33.4 | 178.2 | -42.5 | -58.2 | 0 | 0 | 0 | 114.1 | E30 F115 Q119 D382 | E30-H377 WeakPolarHBondContact OE1-CA 3.49Å; F115-H377 HydrophobicContact CE1-CB 3.97Å; F115-H377 AromaticContact CE1-CG 3.63Å; F115-H377 AromaticContact CE1-ND1 3.82Å; F115-H377 HydrophobicContact CZ-CB 4.21Å; F115-H377 AromaticContact CZ-CD2 3.42Å; F115-H377 VanDerWaalsContact CZ-CD2 3.42Å; F115-H377 WeakPolarHBondContact CZ-CD2 3.41Å; F115-H377 AromaticContact CZ-CE1 3.74Å; F115-H377 AromaticContact CZ-CG 3.46Å; F115-H377 VanDerWaalsContact CZ-CG 3.46Å; F115-H377 AromaticContact CZ-ND1 3.67Å; F115-H377 AromaticContact CZ-NE2 3.59Å; Q119-H377 HydrophobicContact CB-CB 4.31Å; Q119-H377 HydrophobicContact CG-CB 3.84Å; H377-D382 PolarHBondContact N-OD1 3.37Å; H377-D382 PolarHBondContact N-OD2 3.24Å |
| 378 | E | 92.1 | Very high | 84.8 | Confident | 33 Ų | 33 | 38 Ų | 38 | 15% | 0.154 | 21% | 0.207 | C | C | . | . | trans | -124.2 | 121 | 159.6 | -179.1 | -101 | 86.8 | 0 | 0 | 106.5 | N89 Y369 G380 Y381 D382 | N89-E378 PolarHBondContact ND2-OE1 3.39Å; N89-E378 PolarHBondContact ND2-OE2 2.81Å; N89-E378 PolarHBondContact OD1-OE1 2.83Å; Y369-E378 VanDerWaalsContact CE1-OE2 3.25Å; Y369-E378 WeakPolarHBondContact CE1-OE2 3.31Å; Y369-E378 VanDerWaalsContact CZ-OE2 3.31Å; Y369-E378 VanDerWaalsContact OH-CD 3.26Å; Y369-E378 PolarHBondContact OH-OE1 3.43Å; Y369-E378 PolarHBondContact OH-OE2 3.48Å; E378-G380 VanDerWaalsContact C-N 3.3Å; E378-G380 PolarHBondContact O-N 3.36Å; E378-G380 VanDerWaalsContact O-N 3.14Å; E378-G380 WeakPolarHBondContact OE1-CA 3.07Å; E378-G380 PolarHBondContact OE1-N 2.88Å; E378-Y381 WeakPolarHBondContact O-CA 3.39Å; E378-Y381 WeakPolarHBondContact O-CB 3.46Å; E378-Y381 PolarHBondContact O-N 2.74Å; E378-Y381 PolarHBondContact OE1-N 2.8Å; E378-D382 PolarHBondContact O-N 3.48Å | ||
| 379 | A | 95.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56.8 | -38.8 | -164.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D28 E30 Q68 G70 D382 A383 | D28-A379 WeakPolarHBondContact CB-O 3.32Å; E30-A379 HydrophobicContact CG-CB 4.18Å; Q68-A379 HydrophobicContact CG-CB 4.11Å; Q68-A379 VanDerWaalsContact OE1-N 3.15Å; G70-A379 VanDerWaalsContact CA-C 3.45Å; G70-A379 VanDerWaalsContact CA-CB 3.47Å; A379-D382 PolarHBondContact O-N 3.41Å; A379-A383 WeakPolarHBondContact O-CB 3.47Å; A379-A383 PolarHBondContact O-N 2.9Å |
| 380 | G | 95.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.6 | -35.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | N89 E378 Y384 | N89-G380 WeakPolarHBondContact OD1-CA 3.47Å; N89-G380 PolarHBondContact OD1-N 3.37Å; E378-G380 VanDerWaalsContact C-N 3.3Å; E378-G380 PolarHBondContact O-N 3.36Å; E378-G380 VanDerWaalsContact O-N 3.14Å; E378-G380 WeakPolarHBondContact OE1-CA 3.07Å; E378-G380 PolarHBondContact OE1-N 2.88Å; G380-Y384 WeakPolarHBondContact O-CB 3.34Å; G380-Y384 PolarHBondContact O-N 3.46Å |
| 381 | Y | 95.9 | Very high | 87.7 | Confident | 5 Ų | 5 | 29.1 Ų | 29.1 | 2% | 0.02 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.1 | -48.3 | 171.7 | -179.2 | -97 | 0 | 0 | 0 | 110.9 | Y369 Q375 L376 E378 A383 Y384 I385 | Y369-Y381 AromaticContact CD1-CD2 3.61Å; Y369-Y381 HydrophobicContact CD1-CD2 3.61Å; Y369-Y381 HydrophobicContact CD1-CE2 4.46Å; Y369-Y381 HydrophobicContact CD1-CG 4.46Å; Y369-Y381 HydrophobicContact CD2-CD2 4.11Å; Y369-Y381 HydrophobicContact CE1-CD2 4.12Å; Y369-Y381 AromaticContact CG-CD2 3.61Å; Y369-Y381 HydrophobicContact CG-CD2 3.61Å; Y369-Y381 HydrophobicContact CG-CE2 4.3Å; Y369-Y381 PolarHBondContact OH-N 3.02Å; Q375-Y381 HydrophobicContact CB-CD1 4.32Å; Q375-Y381 HydrophobicContact CB-CD2 4.01Å; Q375-Y381 HydrophobicContact CB-CE2 4.27Å; Q375-Y381 HydrophobicContact CB-CG 4.03Å; Q375-Y381 WeakPolarHBondContact O-CB 3.49Å; Q375-Y381 WeakPolarHBondContact O-CD1 3.46Å; Q375-Y381 VanDerWaalsContact O-CG 3.27Å; L376-Y381 HydrophobicContact CD2-CD1 4.41Å; L376-Y381 HydrophobicContact CD2-CE1 3.88Å; L376-Y381 HydrophobicContact CG-CE1 4.1Å; E378-Y381 WeakPolarHBondContact O-CA 3.39Å; E378-Y381 WeakPolarHBondContact O-CB 3.46Å; E378-Y381 PolarHBondContact O-N 2.74Å; E378-Y381 PolarHBondContact OE1-N 2.8Å; Y381-A383 VanDerWaalsContact C-N 3.32Å; Y381-A383 PolarHBondContact O-N 2.86Å; Y381-Y384 CarbonylContact O-C 3.43Å; Y381-Y384 WeakPolarHBondContact O-CA 3.32Å; Y381-Y384 WeakPolarHBondContact O-CB 3.44Å; Y381-Y384 PolarHBondContact O-N 2.96Å; Y381-I385 HydrophobicContact CD1-CG1 3.99Å; Y381-I385 HydrophobicContact CE1-CD1 4.21Å; Y381-I385 HydrophobicContact CE1-CG1 3.57Å; Y381-I385 HydrophobicContact CE2-CD1 4.19Å; Y381-I385 HydrophobicContact CE2-CG1 4.24Å; Y381-I385 WeakPolarHBondContact O-CG1 3.4Å; Y381-I385 PolarHBondContact O-N 3.39Å |
| 382 | D | 97.2 | Very high | 89.1 | Confident | 11 Ų | 11 | 27 Ų | 27 | 6% | 0.059 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.3 | -36.3 | -179.5 | -77.3 | 7.6 | 0 | 0 | 0 | 111.4 | D28 L343 H377 E378 A379 I385 T386 | D28-D382 HydrophobicContact CB-CB 4.23Å; L343-D382 HydrophobicContact CD2-CB 3.94Å; H377-D382 PolarHBondContact N-OD1 3.37Å; H377-D382 PolarHBondContact N-OD2 3.24Å; E378-D382 PolarHBondContact O-N 3.48Å; A379-D382 PolarHBondContact O-N 3.41Å; D382-I385 PolarHBondContact O-N 3.02Å; D382-T386 WeakPolarHBondContact O-CB 3.39Å; D382-T386 PolarHBondContact O-N 3Å; D382-T386 PolarHBondContact O-OG1 2.86Å |
| 383 | A | 98.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.7 | -42.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A26 D28 C72 A379 Y381 T386 G387 | A26-A383 HydrophobicContact CB-CB 4.48Å; A26-A383 WeakPolarHBondContact CB-O 3.3Å; D28-A383 HydrophobicContact CB-CB 4.15Å; C72-A383 HydrophobicContact CB-CB 4.15Å; A379-A383 WeakPolarHBondContact O-CB 3.47Å; A379-A383 PolarHBondContact O-N 2.9Å; Y381-A383 VanDerWaalsContact C-N 3.32Å; Y381-A383 PolarHBondContact O-N 2.86Å; A383-T386 PolarHBondContact O-N 3.34Å; A383-G387 PolarHBondContact O-N 2.81Å |
| 384 | Y | 97.6 | Very high | 92.6 | Very high | 12 Ų | 12 | 17.1 Ų | 17.1 | 5% | 0.047 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62 | -49.4 | 175.8 | 167.8 | -108.1 | 0 | 0 | 0 | 111.5 | F74 T85 V360 Y369 T371 G380 Y381 T386 G387 L388 | F74-Y384 HydrophobicContact CE1-CD2 4.37Å; F74-Y384 HydrophobicContact CZ-CD2 4.07Å; F74-Y384 WeakPolarHBondContact CZ-O 3.39Å; T85-Y384 HydrophobicContact CG2-CD2 4.23Å; T85-Y384 HydrophobicContact CG2-CE2 4.02Å; V360-Y384 WeakPolarHBondContact CG1-OH 3.34Å; V360-Y384 HydrophobicContact CG2-CE2 4.03Å; Y369-Y384 AromaticContact CD2-CD1 3.97Å; Y369-Y384 HydrophobicContact CD2-CD1 3.97Å; Y369-Y384 HydrophobicContact CD2-CG 4.09Å; T371-Y384 HydrophobicContact CG2-CE1 3.99Å; G380-Y384 WeakPolarHBondContact O-CB 3.34Å; G380-Y384 PolarHBondContact O-N 3.46Å; Y381-Y384 CarbonylContact O-C 3.43Å; Y381-Y384 WeakPolarHBondContact O-CA 3.32Å; Y381-Y384 WeakPolarHBondContact O-CB 3.44Å; Y381-Y384 PolarHBondContact O-N 2.96Å; Y384-T386 VanDerWaalsContact C-N 3.35Å; Y384-T386 PolarHBondContact O-N 3.31Å; Y384-G387 PolarHBondContact O-N 3.26Å; Y384-L388 HydrophobicContact CD1-CD1 4.36Å; Y384-L388 HydrophobicContact CE1-CD1 3.72Å; Y384-L388 HydrophobicContact CE1-CG 4.44Å; Y384-L388 HydrophobicContact CE2-CD1 4.23Å; Y384-L388 HydrophobicContact CE2-CD2 4.1Å; Y384-L388 HydrophobicContact CE2-CG 4.22Å; Y384-L388 WeakPolarHBondContact O-CG 3.15Å; Y384-L388 PolarHBondContact O-N 2.84Å; Y384-L388 VanDerWaalsContact O-N 3.08Å |
| 385 | I | 97.4 | Very high | 94 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.005 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -60.6 | -44.4 | 177 | -65.7 | -52.4 | 0 | 0 | 0 | 111.4 | L343 E347 T371 Y381 D382 G387 L388 C389 | L343-I385 HydrophobicContact CD1-CG2 3.88Å; L343-I385 HydrophobicContact CD2-CG2 4.4Å; L343-I385 HydrophobicContact CG-CG2 3.94Å; E347-I385 HydrophobicContact CB-CG2 3.8Å; E347-I385 HydrophobicContact CG-CD1 4.11Å; E347-I385 HydrophobicContact CG-CG2 3.44Å; E347-I385 VanDerWaalsContact CG-CG2 3.44Å; T371-I385 HydrophobicContact CG2-CD1 4.01Å; Y381-I385 HydrophobicContact CD1-CG1 3.99Å; Y381-I385 HydrophobicContact CE1-CD1 4.21Å; Y381-I385 HydrophobicContact CE1-CG1 3.57Å; Y381-I385 HydrophobicContact CE2-CD1 4.19Å; Y381-I385 HydrophobicContact CE2-CG1 4.24Å; Y381-I385 WeakPolarHBondContact O-CG1 3.4Å; Y381-I385 PolarHBondContact O-N 3.39Å; D382-I385 PolarHBondContact O-N 3.02Å; I385-G387 VanDerWaalsContact C-N 3.28Å; I385-G387 PolarHBondContact O-N 3.18Å; I385-L388 HydrophobicContact CD1-CD1 4.29Å; I385-L388 WeakPolarHBondContact O-CB 3.36Å; I385-L388 PolarHBondContact O-N 2.82Å; I385-C389 PolarHBondContact O-N 3.46Å; I385-C389 PolarHBondContact O-SG 2.89Å; I385-C389 VanDerWaalsContact O-SG 3.41Å |
| 386 | T | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -54.8 | -44.4 | 175.4 | -69.1 | 0 | 0 | 0 | 0 | 111.7 | V285 H287 T325 D382 A383 Y384 C389 F390 | V285-T386 HydrophobicContact CG1-CG2 3.84Å; H287-T386 HydrophobicContact CB-CG2 4.15Å; T325-T386 HydrophobicContact CG2-CG2 4.03Å; D382-T386 WeakPolarHBondContact O-CB 3.39Å; D382-T386 PolarHBondContact O-N 3Å; D382-T386 PolarHBondContact O-OG1 2.86Å; A383-T386 PolarHBondContact O-N 3.34Å; Y384-T386 VanDerWaalsContact C-N 3.35Å; Y384-T386 PolarHBondContact O-N 3.31Å; T386-C389 PolarHBondContact O-N 3.23Å; T386-F390 PolarHBondContact O-N 3.38Å |
| 387 | G | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -64.2 | -38.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A383 Y384 I385 F390 I391 | A383-G387 PolarHBondContact O-N 2.81Å; Y384-G387 PolarHBondContact O-N 3.26Å; I385-G387 VanDerWaalsContact C-N 3.28Å; I385-G387 PolarHBondContact O-N 3.18Å; G387-F390 PolarHBondContact O-N 3.23Å; G387-I391 WeakPolarHBondContact O-CD1 3.45Å; G387-I391 VanDerWaalsContact O-CG1 3.27Å; G387-I391 WeakPolarHBondContact O-CG1 3.24Å; G387-I391 PolarHBondContact O-N 3.21Å |
| 388 | L | 97.8 | Very high | 97.2 | Very high | 16 Ų | 16 | 7 Ų | 7 | 8% | 0.084 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -63.8 | -44.4 | 174.4 | -62.1 | -176.3 | 0 | 0 | 0 | 111.9 | F74 P358 V360 T371 Y384 I385 F390 I391 S392 | F74-L388 HydrophobicContact CE1-CD2 4.15Å; P358-L388 HydrophobicContact CG-CD2 4.01Å; V360-L388 HydrophobicContact CB-CD2 4.21Å; V360-L388 HydrophobicContact CG1-CD2 4.07Å; V360-L388 HydrophobicContact CG2-CD2 4.23Å; T371-L388 HydrophobicContact CG2-CD1 4.47Å; Y384-L388 HydrophobicContact CD1-CD1 4.36Å; Y384-L388 HydrophobicContact CE1-CD1 3.72Å; Y384-L388 HydrophobicContact CE1-CG 4.44Å; Y384-L388 HydrophobicContact CE2-CD1 4.23Å; Y384-L388 HydrophobicContact CE2-CD2 4.1Å; Y384-L388 HydrophobicContact CE2-CG 4.22Å; Y384-L388 WeakPolarHBondContact O-CG 3.15Å; Y384-L388 PolarHBondContact O-N 2.84Å; Y384-L388 VanDerWaalsContact O-N 3.08Å; I385-L388 HydrophobicContact CD1-CD1 4.29Å; I385-L388 WeakPolarHBondContact O-CB 3.36Å; I385-L388 PolarHBondContact O-N 2.82Å; L388-F390 VanDerWaalsContact C-N 3.33Å; L388-F390 PolarHBondContact O-N 2.81Å; L388-I391 PolarHBondContact O-N 3.13Å; L388-S392 PolarHBondContact O-N 3.41Å; L388-S392 PolarHBondContact O-OG 2.94Å |
| 389 | C | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -57.9 | -45.7 | 176.1 | -70.2 | 0 | 0 | 0 | 0 | 111.6 | L346 I385 T386 S392 M393 | L346-C389 HydrophobicContact CD2-CB 4.04Å; L346-C389 HydrophobicContact CG-CB 4.25Å; I385-C389 PolarHBondContact O-N 3.46Å; I385-C389 PolarHBondContact O-SG 2.89Å; I385-C389 VanDerWaalsContact O-SG 3.41Å; T386-C389 PolarHBondContact O-N 3.23Å; C389-S392 PolarHBondContact O-N 2.96Å; C389-M393 HydrophobicContact CB-CE 4.5Å; C389-M393 WeakPolarHBondContact O-CG 3.26Å; C389-M393 PolarHBondContact O-N 3.42Å |
| 390 | F | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 14 Ų | 14 | 0% | 0.004 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.7 | -48.4 | 174.4 | 165.2 | -111.2 | 0 | 0 | 0 | 112.2 | F24 L283 V285 L323 T325 M328 T386 G387 L388 S392 M393 A394 P410 V415 | F24-F390 HydrophobicContact CD1-CE1 4.17Å; F24-F390 HydrophobicContact CD2-CD1 4.06Å; F24-F390 HydrophobicContact CD2-CE1 4.11Å; F24-F390 HydrophobicContact CE1-CD1 4.16Å; F24-F390 HydrophobicContact CE1-CE1 4.06Å; F24-F390 AromaticContact CE2-CD1 3.6Å; F24-F390 HydrophobicContact CE2-CD1 3.6Å; F24-F390 HydrophobicContact CE2-CE1 4.05Å; F24-F390 HydrophobicContact CG-CE1 4.17Å; F24-F390 AromaticContact CZ-CD1 3.65Å; F24-F390 HydrophobicContact CZ-CD1 3.65Å; F24-F390 HydrophobicContact CZ-CE1 4.01Å; L283-F390 HydrophobicContact CD2-CE1 4.1Å; L283-F390 HydrophobicContact CD2-CE2 4.2Å; L283-F390 HydrophobicContact CD2-CZ 3.64Å; V285-F390 HydrophobicContact CG1-CB 3.87Å; V285-F390 HydrophobicContact CG1-CG 4.23Å; V285-F390 HydrophobicContact CG2-CD1 4.04Å; V285-F390 HydrophobicContact CG2-CE1 4.37Å; V285-F390 HydrophobicContact CG2-CG 4.1Å; L323-F390 HydrophobicContact CD1-CD2 3.93Å; L323-F390 HydrophobicContact CD1-CE2 3.59Å; L323-F390 HydrophobicContact CD2-CD2 3.74Å; L323-F390 HydrophobicContact CD2-CE2 4.27Å; T325-F390 HydrophobicContact CG2-CB 3.86Å; M328-F390 HydrophobicContact SD-CD2 4.13Å; T386-F390 PolarHBondContact O-N 3.38Å; G387-F390 PolarHBondContact O-N 3.23Å; L388-F390 VanDerWaalsContact C-N 3.33Å; L388-F390 PolarHBondContact O-N 2.81Å; F390-S392 PolarHBondContact O-N 3.22Å; F390-M393 PolarHBondContact O-N 3.16Å; F390-A394 HydrophobicContact CE2-CB 4.15Å; F390-A394 HydrophobicContact CZ-CB 4.33Å; F390-A394 VanDerWaalsContact O-CB 3.24Å; F390-A394 WeakPolarHBondContact O-CB 3.34Å; F390-A394 PolarHBondContact O-N 3.27Å; F390-P410 HydrophobicContact CE1-CB 4.16Å; F390-P410 HydrophobicContact CE1-CG 4.22Å; F390-P410 HydrophobicContact CZ-CB 4.14Å; F390-V415 HydrophobicContact CE2-CG1 4.18Å |
| 391 | I | 98.5 | Very high | 97.2 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.7 | -46.6 | -179.5 | -66.9 | 161.8 | 0 | 0 | 0 | 110.9 | F24 F74 Y83 P358 G387 L388 M393 A394 N395 | F24-I391 HydrophobicContact CE1-CD1 4.07Å; F24-I391 HydrophobicContact CE1-CG1 3.96Å; F24-I391 HydrophobicContact CZ-CD1 3.75Å; F24-I391 HydrophobicContact CZ-CG1 3.68Å; F74-I391 HydrophobicContact CD1-CD1 3.65Å; F74-I391 HydrophobicContact CE1-CD1 3.96Å; F74-I391 HydrophobicContact CG-CD1 4.48Å; Y83-I391 HydrophobicContact CD1-CD1 3.89Å; Y83-I391 HydrophobicContact CD2-CD1 3.85Å; Y83-I391 HydrophobicContact CD2-CG2 4.12Å; Y83-I391 HydrophobicContact CE1-CD1 3.9Å; Y83-I391 HydrophobicContact CE1-CG1 4.2Å; Y83-I391 HydrophobicContact CE2-CB 4.43Å; Y83-I391 HydrophobicContact CE2-CD1 3.89Å; Y83-I391 HydrophobicContact CE2-CG1 4.1Å; Y83-I391 HydrophobicContact CE2-CG2 3.43Å; Y83-I391 VanDerWaalsContact CE2-CG2 3.43Å; Y83-I391 HydrophobicContact CG-CD1 3.83Å; P358-I391 HydrophobicContact CB-CB 4.32Å; P358-I391 HydrophobicContact CB-CG2 3.51Å; P358-I391 HydrophobicContact CG-CB 4.23Å; P358-I391 HydrophobicContact CG-CG2 3.95Å; G387-I391 WeakPolarHBondContact O-CD1 3.45Å; G387-I391 VanDerWaalsContact O-CG1 3.27Å; G387-I391 WeakPolarHBondContact O-CG1 3.24Å; G387-I391 PolarHBondContact O-N 3.21Å; L388-I391 PolarHBondContact O-N 3.13Å; I391-M393 PolarHBondContact O-N 3.42Å; I391-A394 PolarHBondContact O-N 3.05Å; I391-N395 WeakPolarHBondContact CG2-ND2 3.41Å; I391-N395 WeakPolarHBondContact O-CB 3.43Å; I391-N395 VanDerWaalsContact O-CG 3.24Å; I391-N395 PolarHBondContact O-N 2.76Å; I391-N395 PolarHBondContact O-ND2 3.37Å |
| 392 | S | 98 | Very high | 97 | Very high | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.5 | -47.6 | 178.8 | -67.6 | 0 | 0 | 0 | 0 | 111.9 | V350 P358 L388 C389 F390 H396 | V350-S392 PolarHBondContact O-OG 3.37Å; P358-S392 VanDerWaalsContact CD-OG 3.27Å; P358-S392 WeakPolarHBondContact CD-OG 3.47Å; L388-S392 PolarHBondContact O-N 3.41Å; L388-S392 PolarHBondContact O-OG 2.94Å; C389-S392 PolarHBondContact O-N 2.96Å; F390-S392 PolarHBondContact O-N 3.22Å; S392-H396 PolarHBondContact O-N 3.4Å |
| 393 | M | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.1 | -45.1 | 178.4 | -71.8 | -170.6 | -70.3 | 0 | 0 | 111.6 | T325 M328 A329 F334 I338 L346 V350 F355 C389 F390 I391 N395 H396 L397 | T325-M393 HydrophobicContact CG2-CE 4.2Å; M328-M393 HydrophobicContact CB-CE 4.15Å; M328-M393 HydrophobicContact CB-SD 4.46Å; M328-M393 HydrophobicContact CE-CB 3.79Å; M328-M393 HydrophobicContact CG-CE 4.13Å; M328-M393 HydrophobicContact CG-SD 4.13Å; M328-M393 HydrophobicContact SD-CB 4.02Å; M328-M393 HydrophobicContact SD-CE 3.89Å; M328-M393 HydrophobicContact SD-SD 4.36Å; A329-M393 HydrophobicContact CB-CE 4.49Å; A329-M393 HydrophobicContact CB-SD 3.86Å; F334-M393 HydrophobicContact CD1-CB 4.38Å; F334-M393 HydrophobicContact CD1-CG 4.1Å; F334-M393 HydrophobicContact CD1-SD 4.37Å; F334-M393 HydrophobicContact CD2-SD 4.48Å; F334-M393 HydrophobicContact CE1-CB 3.72Å; F334-M393 HydrophobicContact CE1-CG 3.91Å; F334-M393 HydrophobicContact CE2-CB 4.3Å; F334-M393 HydrophobicContact CG-SD 4.3Å; F334-M393 HydrophobicContact CZ-CB 3.66Å; F334-M393 HydrophobicContact CZ-CG 4.25Å; F334-M393 VanDerWaalsContact CZ-O 3.29Å; F334-M393 WeakPolarHBondContact CZ-O 3.06Å; I338-M393 HydrophobicContact CD1-SD 4.1Å; L346-M393 HydrophobicContact CD2-CE 4.44Å; V350-M393 HydrophobicContact CG1-CG 4.16Å; F355-M393 HydrophobicContact CE1-CG 4.5Å; C389-M393 HydrophobicContact CB-CE 4.5Å; C389-M393 WeakPolarHBondContact O-CG 3.26Å; C389-M393 PolarHBondContact O-N 3.42Å; F390-M393 PolarHBondContact O-N 3.16Å; I391-M393 PolarHBondContact O-N 3.42Å; M393-N395 PolarHBondContact O-N 2.57Å; M393-H396 WeakPolarHBondContact O-CB 3.42Å; M393-H396 PolarHBondContact O-N 2.92Å; M393-L397 PolarHBondContact O-N 3.17Å; M393-L397 VanDerWaalsContact O-N 3.15Å |
| 394 | A | 98 | Very high | 96.6 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 2% | 0.017 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.2 | -45.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F390 I391 H396 L397 I408 V415 | F390-A394 HydrophobicContact CE2-CB 4.15Å; F390-A394 HydrophobicContact CZ-CB 4.33Å; F390-A394 VanDerWaalsContact O-CB 3.24Å; F390-A394 WeakPolarHBondContact O-CB 3.34Å; F390-A394 PolarHBondContact O-N 3.27Å; I391-A394 PolarHBondContact O-N 3.05Å; A394-H396 VanDerWaalsContact C-N 3.3Å; A394-H396 PolarHBondContact O-N 3.35Å; A394-L397 WeakPolarHBondContact O-CB 3.32Å; A394-L397 PolarHBondContact O-N 3.45Å; A394-L397 VanDerWaalsContact O-N 3.13Å; A394-I408 HydrophobicContact CB-CB 4.38Å; A394-I408 HydrophobicContact CB-CG2 4.34Å; A394-I408 WeakPolarHBondContact O-CB 3.42Å; A394-I408 WeakPolarHBondContact O-CG1 3.4Å; A394-V415 HydrophobicContact CB-CG1 4.02Å |
| 395 | N | 96.9 | Very high | 96.4 | Very high | 29 Ų | 29 | 37.9 Ų | 37.9 | 16% | 0.155 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.6 | -34.8 | 177.3 | -71.5 | -19.5 | 0 | 0 | 0 | 112.3 | I391 M393 L397 G398 S406 Y407 I408 | I391-N395 WeakPolarHBondContact CG2-ND2 3.41Å; I391-N395 WeakPolarHBondContact O-CB 3.43Å; I391-N395 VanDerWaalsContact O-CG 3.24Å; I391-N395 PolarHBondContact O-N 2.76Å; I391-N395 PolarHBondContact O-ND2 3.37Å; M393-N395 PolarHBondContact O-N 2.57Å; N395-L397 VanDerWaalsContact C-N 3.29Å; N395-L397 PolarHBondContact O-N 3.32Å; N395-G398 PolarHBondContact O-N 3.18Å; N395-S406 WeakPolarHBondContact CB-O 3.37Å; N395-S406 PolarHBondContact OD1-O 3.39Å; N395-Y407 WeakPolarHBondContact OD1-CA 3.31Å; N395-I408 PolarHBondContact OD1-N 2.9Å |
| 396 | H | 97 | Very high | 96.1 | Very high | 20 Ų | 20 | 42.9 Ų | 42.9 | 9% | 0.093 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.7 | -35.3 | 173.7 | -177.3 | 75.4 | 0 | 0 | 0 | 112 | F334 P354 F355 S392 M393 A394 G398 S399 F400 | F334-H396 HydrophobicContact CE1-CB 4.32Å; F334-H396 AromaticContact CE1-CD2 3.83Å; P354-H396 PolarHBondContact O-ND1 3.16Å; F355-H396 HydrophobicContact CD1-CB 3.72Å; F355-H396 AromaticContact CD1-CG 3.86Å; F355-H396 HydrophobicContact CE1-CB 3.96Å; F355-H396 AromaticContact CE1-CD2 3.99Å; F355-H396 AromaticContact CE1-CG 3.82Å; S392-H396 PolarHBondContact O-N 3.4Å; M393-H396 WeakPolarHBondContact O-CB 3.42Å; M393-H396 PolarHBondContact O-N 2.92Å; A394-H396 VanDerWaalsContact C-N 3.3Å; A394-H396 PolarHBondContact O-N 3.35Å; H396-G398 PolarHBondContact O-N 3.48Å; H396-S399 VanDerWaalsContact O-CB 3.28Å; H396-S399 WeakPolarHBondContact O-CB 3.12Å; H396-S399 PolarHBondContact O-N 2.98Å; H396-S399 PolarHBondContact O-OG 3.34Å; H396-F400 AromaticContact CD2-CE2 3.87Å; H396-F400 AromaticContact NE2-CE2 3.79Å; H396-F400 AromaticContact NE2-CZ 3.69Å |
| 397 | L | 96.8 | Very high | 95.9 | Very high | 14 Ų | 14 | 45.5 Ų | 45.5 | 7% | 0.073 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.8 | -30.7 | 173.1 | -61.8 | 175.2 | 0 | 0 | 0 | 112.6 | M328 P333 F334 M393 A394 N395 S399 F400 L414 V415 F418 | M328-L397 HydrophobicContact CE-CD1 3.89Å; P333-L397 HydrophobicContact CG-CD2 3.96Å; F334-L397 HydrophobicContact CE1-CD2 4.49Å; F334-L397 HydrophobicContact CE2-CD1 4.5Å; F334-L397 HydrophobicContact CE2-CD2 3.87Å; F334-L397 HydrophobicContact CE2-CG 4.29Å; F334-L397 HydrophobicContact CZ-CD1 4.32Å; F334-L397 HydrophobicContact CZ-CD2 3.56Å; F334-L397 HydrophobicContact CZ-CG 3.74Å; M393-L397 PolarHBondContact O-N 3.17Å; M393-L397 VanDerWaalsContact O-N 3.15Å; A394-L397 WeakPolarHBondContact O-CB 3.32Å; A394-L397 PolarHBondContact O-N 3.45Å; A394-L397 VanDerWaalsContact O-N 3.13Å; N395-L397 VanDerWaalsContact C-N 3.29Å; N395-L397 PolarHBondContact O-N 3.32Å; L397-S399 PolarHBondContact O-N 3.22Å; L397-F400 HydrophobicContact CD2-CE2 4.39Å; L397-F400 WeakPolarHBondContact O-CD2 3.33Å; L397-F400 PolarHBondContact O-N 2.92Å; L397-L414 HydrophobicContact CB-CB 4.34Å; L397-L414 HydrophobicContact CB-CD1 4.12Å; L397-L414 HydrophobicContact CD1-CB 4.32Å; L397-V415 HydrophobicContact CD1-CG1 4.32Å; L397-F418 HydrophobicContact CD1-CE2 3.99Å |
| 398 | G | 95.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -66.2 | -18.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | N395 H396 F400 L401 P404 I405 | N395-G398 PolarHBondContact O-N 3.18Å; H396-G398 PolarHBondContact O-N 3.48Å; G398-F400 VanDerWaalsContact C-N 3.27Å; G398-F400 PolarHBondContact O-N 3.24Å; G398-L401 WeakPolarHBondContact O-CB 3.46Å; G398-L401 PolarHBondContact O-N 3.36Å; G398-P404 WeakPolarHBondContact O-CA 3.41Å; G398-I405 CarbonylContact C-O 3.55Å; G398-I405 VanDerWaalsContact CA-O 3.32Å; G398-I405 WeakPolarHBondContact CA-O 3.09Å; G398-I405 PolarHBondContact O-N 3.35Å |
| 399 | S | 95.3 | Very high | 95.7 | Very high | 58 Ų | 58 | 46.5 Ų | 46.5 | 41% | 0.406 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -69.7 | -23 | 175.8 | 75.7 | 0 | 0 | 0 | 0 | 113.6 | H396 L397 L401 | H396-S399 VanDerWaalsContact O-CB 3.28Å; H396-S399 WeakPolarHBondContact O-CB 3.12Å; H396-S399 PolarHBondContact O-N 2.98Å; H396-S399 PolarHBondContact O-OG 3.34Å; L397-S399 PolarHBondContact O-N 3.22Å; S399-L401 VanDerWaalsContact C-N 3.29Å |
| 400 | F | 93.7 | Very high | 95.6 | Very high | 121 Ų | 121 | 46.5 Ų | 46.5 | 53% | 0.531 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -80.6 | -8.1 | 176.6 | -58.2 | -75.9 | 0 | 0 | 0 | 113.3 | P333 H396 L397 G398 | P333-F400 HydrophobicContact CB-CE2 4.39Å; P333-F400 HydrophobicContact CB-CZ 4.03Å; P333-F400 HydrophobicContact CG-CE2 3.75Å; P333-F400 HydrophobicContact CG-CZ 3.9Å; H396-F400 AromaticContact CD2-CE2 3.87Å; H396-F400 AromaticContact NE2-CE2 3.79Å; H396-F400 AromaticContact NE2-CZ 3.69Å; L397-F400 HydrophobicContact CD2-CE2 4.39Å; L397-F400 WeakPolarHBondContact O-CD2 3.33Å; L397-F400 PolarHBondContact O-N 2.92Å; G398-F400 VanDerWaalsContact C-N 3.27Å; G398-F400 PolarHBondContact O-N 3.24Å |
| 401 | L | 94.7 | Very high | 95.4 | Very high | 57 Ų | 57 | 53.6 Ų | 53.6 | 30% | 0.298 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -78.8 | 155.7 | 175.9 | -62 | -179.2 | 0 | 0 | 0 | 111.4 | G398 S399 P403 P404 I405 I408 L414 | G398-L401 WeakPolarHBondContact O-CB 3.46Å; G398-L401 PolarHBondContact O-N 3.36Å; S399-L401 VanDerWaalsContact C-N 3.29Å; L401-P403 CarbonylContact C-O 3.56Å; L401-P403 CarbonylContact O-C 3.52Å; L401-P404 WeakPolarHBondContact O-CA 3.48Å; L401-P404 WeakPolarHBondContact O-CD 3.32Å; L401-I405 HydrophobicContact CD1-CB 4.3Å; L401-I405 HydrophobicContact CD1-CD1 3.62Å; L401-I405 HydrophobicContact CD1-CG1 3.9Å; L401-I408 HydrophobicContact CD1-CD1 4.3Å; L401-L414 HydrophobicContact CD1-CD1 3.88Å; L401-L414 HydrophobicContact CD2-CD1 4.16Å; L401-L414 HydrophobicContact CD2-CD2 4.27Å; L401-L414 HydrophobicContact CG-CD1 4.03Å |
| 402 | M | 92.4 | Very high | 95.4 | Very high | 188 Ų | 188 | 54.9 Ų | 54.9 | 93% | 0.926 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -122 | 107.7 | 173.1 | -65.2 | -170.8 | 73 | 0 | 0 | 109.9 | ||
| 403 | P | 93.1 | Very high | 95.3 | Very high | 108 Ų | 108 | 62.9 Ų | 62.9 | 70% | 0.701 | 33% | 0.331 | S | S | * | . | S | Bend | cis | -71.4 | 156.2 | -2.6 | 31.7 | -35.6 | 0 | 0 | 0 | 112.8 | L401 | L401-P403 CarbonylContact C-O 3.56Å; L401-P403 CarbonylContact O-C 3.52Å |
| 404 | P | 93.4 | Very high | 95.2 | Very high | 95 Ų | 95 | 65.4 Ų | 65.4 | 62% | 0.617 | 34% | 0.344 | S | S | * | . | trans | -59.3 | 138.9 | 175.3 | -27.2 | 35.9 | 0 | 0 | 0 | 112.3 | G398 L401 | G398-P404 WeakPolarHBondContact O-CA 3.41Å; L401-P404 WeakPolarHBondContact O-CA 3.48Å; L401-P404 WeakPolarHBondContact O-CD 3.32Å | ||
| 405 | I | 93.8 | Very high | 95.1 | Very high | 82 Ų | 82 | 65.3 Ų | 65.3 | 42% | 0.421 | 34% | 0.343 | S | S | . | . | trans | -114.9 | 127.4 | 177.9 | -53.3 | -176.4 | 0 | 0 | 0 | 108.8 | G398 L401 Y407 I408 | G398-I405 CarbonylContact C-O 3.55Å; G398-I405 VanDerWaalsContact CA-O 3.32Å; G398-I405 WeakPolarHBondContact CA-O 3.09Å; G398-I405 PolarHBondContact O-N 3.35Å; L401-I405 HydrophobicContact CD1-CB 4.3Å; L401-I405 HydrophobicContact CD1-CD1 3.62Å; L401-I405 HydrophobicContact CD1-CG1 3.9Å; I405-Y407 WeakPolarHBondContact CG2-O 3.4Å; I405-I408 HydrophobicContact CB-CD1 4.23Å; I405-I408 HydrophobicContact CG2-CD1 4.32Å | ||
| 406 | S | 90.8 | Very high | 95.1 | Very high | 105 Ų | 105 | 69.2 Ų | 69.2 | 73% | 0.734 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -80.3 | -25.9 | -177 | 56.2 | 0 | 0 | 0 | 0 | 114.4 | N395 | N395-S406 WeakPolarHBondContact CB-O 3.37Å; N395-S406 PolarHBondContact OD1-O 3.39Å |
| 407 | Y | 94.7 | Very high | 95.1 | Very high | 55 Ų | 55 | 71.6 Ų | 71.6 | 22% | 0.216 | 38% | 0.378 | C | S | . | . | trans | -114.1 | 120 | 178.1 | 165.7 | -98.5 | 0 | 0 | 0 | 109.6 | Y76 Y83 N395 I405 | Y76-Y407 HydrophobicContact CD1-CD1 4.41Å; Y76-Y407 AromaticContact CD1-CD2 3.83Å; Y76-Y407 HydrophobicContact CD1-CD2 3.83Å; Y76-Y407 HydrophobicContact CD1-CE1 4.07Å; Y76-Y407 AromaticContact CD1-CE2 3.39Å; Y76-Y407 HydrophobicContact CD1-CE2 3.39Å; Y76-Y407 HydrophobicContact CD1-CG 4.3Å; Y76-Y407 AromaticContact CD1-CZ 3.54Å; Y76-Y407 AromaticContact CD2-CD2 3.69Å; Y76-Y407 HydrophobicContact CD2-CD2 3.69Å; Y76-Y407 AromaticContact CD2-CE2 3.44Å; Y76-Y407 HydrophobicContact CD2-CE2 3.44Å; Y76-Y407 VanDerWaalsContact CD2-CE2 3.44Å; Y76-Y407 HydrophobicContact CE1-CD1 4.1Å; Y76-Y407 AromaticContact CE1-CD2 3.61Å; Y76-Y407 HydrophobicContact CE1-CD2 3.61Å; Y76-Y407 HydrophobicContact CE1-CE1 4.22Å; Y76-Y407 AromaticContact CE1-CE2 3.71Å; Y76-Y407 HydrophobicContact CE1-CE2 3.71Å; Y76-Y407 AromaticContact CE1-CG 3.8Å; Y76-Y407 HydrophobicContact CE1-CG 3.8Å; Y76-Y407 AromaticContact CE2-CD2 3.48Å; Y76-Y407 HydrophobicContact CE2-CD2 3.48Å; Y76-Y407 VanDerWaalsContact CE2-CD2 3.48Å; Y76-Y407 AromaticContact CE2-CE2 3.77Å; Y76-Y407 HydrophobicContact CE2-CE2 3.77Å; Y76-Y407 HydrophobicContact CE2-CG 4.3Å; Y76-Y407 AromaticContact CG-CD2 3.85Å; Y76-Y407 HydrophobicContact CG-CD2 3.85Å; Y76-Y407 AromaticContact CG-CE2 3.23Å; Y76-Y407 HydrophobicContact CG-CE2 3.23Å; Y76-Y407 AromaticContact CG-CZ 3.72Å; Y76-Y407 AromaticContact CZ-CD2 3.43Å; Y76-Y407 VanDerWaalsContact CZ-CD2 3.43Å; Y76-Y407 AromaticContact CZ-CE2 3.88Å; Y76-Y407 AromaticContact CZ-CG 3.79Å; Y83-Y407 HydrophobicContact CE1-CE2 4.47Å; Y83-Y407 HydrophobicContact CE2-CD2 4.46Å; Y83-Y407 HydrophobicContact CE2-CE2 4.39Å; Y83-Y407 AromaticContact CZ-CE2 3.8Å; Y83-Y407 WeakPolarHBondContact OH-CE2 3.41Å; N395-Y407 WeakPolarHBondContact OD1-CA 3.31Å; I405-Y407 WeakPolarHBondContact CG2-O 3.4Å | ||
| 408 | I | 96.6 | Very high | 95.1 | Very high | 7 Ų | 7 | 71.9 Ų | 71.9 | 4% | 0.036 | 38% | 0.379 | C | S | . | . | trans | -106.5 | 120 | 172 | -65.4 | -53 | 0 | 0 | 0 | 109.4 | A394 N395 L401 I405 L414 V415 | A394-I408 HydrophobicContact CB-CB 4.38Å; A394-I408 HydrophobicContact CB-CG2 4.34Å; A394-I408 WeakPolarHBondContact O-CB 3.42Å; A394-I408 WeakPolarHBondContact O-CG1 3.4Å; N395-I408 PolarHBondContact OD1-N 2.9Å; L401-I408 HydrophobicContact CD1-CD1 4.3Å; I405-I408 HydrophobicContact CB-CD1 4.23Å; I405-I408 HydrophobicContact CG2-CD1 4.32Å; I408-L414 HydrophobicContact CD1-CD1 3.89Å; I408-L414 HydrophobicContact CG1-CD1 4.34Å; I408-V415 HydrophobicContact CG2-CG1 4.35Å | ||
| 409 | S | 95.9 | Very high | 95.2 | Very high | 30 Ų | 30 | 73.2 Ų | 73.2 | 21% | 0.21 | 38% | 0.384 | C | S | . | . | trans | -62.3 | 142 | 175.3 | -177.8 | 0 | 0 | 0 | 0 | 110.5 | R411 S412 | S409-R411 PolarHBondContact O-N 2.76Å; S409-R411 PolarHBondContact OG-N 2.7Å; S409-S412 WeakPolarHBondContact O-CB 3.4Å; S409-S412 PolarHBondContact O-N 3.11Å | ||
| 410 | P | 95.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.006 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -13.1 | 171.7 | -21.9 | 31.7 | 0 | 0 | 0 | 114.2 | D23 F24 L283 F390 V415 | D23-P410 HydrophobicContact CB-CG 4.19Å; F24-P410 HydrophobicContact CB-CB 4.07Å; F24-P410 HydrophobicContact CB-CG 4.19Å; F24-P410 HydrophobicContact CD1-CB 4.19Å; F24-P410 HydrophobicContact CD1-CG 3.46Å; F24-P410 VanDerWaalsContact CD1-CG 3.46Å; F24-P410 HydrophobicContact CE1-CG 4.17Å; F24-P410 HydrophobicContact CG-CB 4.37Å; F24-P410 HydrophobicContact CG-CG 4.12Å; L283-P410 HydrophobicContact CD2-CB 4.02Å; F390-P410 HydrophobicContact CE1-CB 4.16Å; F390-P410 HydrophobicContact CE1-CG 4.22Å; F390-P410 HydrophobicContact CZ-CB 4.14Å; P410-V415 WeakPolarHBondContact O-CG2 3.34Å |
| 411 | R | 95.1 | Very high | 95.5 | Very high | 149 Ų | 149 | 67.2 Ų | 67.2 | 56% | 0.562 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 7.3 | 175 | -61 | -178.2 | -70.3 | -85.7 | 1.7 | 112.9 | D23 S409 | D23-R411 IonicContact OD1-CZ 2.76Å; D23-R411 IonicContact OD1-NH1 2.7Å; D23-R411 PolarHBondContact OD1-NH1 3.09Å; D23-R411 VanDerWaalsContact OD1-NH1 3.1Å; D23-R411 IonicContact OD1-NH2 3.24Å; S409-R411 PolarHBondContact O-N 2.76Å; S409-R411 PolarHBondContact OG-N 2.7Å |
| 412 | S | 96.8 | Very high | 95.7 | Very high | 29 Ų | 29 | 64.5 Ų | 64.5 | 20% | 0.203 | 34% | 0.337 | C | S | . | . | trans | -68.4 | 145.5 | -178.9 | -179.2 | 0 | 0 | 0 | 0 | 111.7 | S409 L414 V415 | S409-S412 WeakPolarHBondContact O-CB 3.4Å; S409-S412 PolarHBondContact O-N 3.11Å; S412-L414 PolarHBondContact O-N 2.71Å; S412-L414 PolarHBondContact OG-N 3.4Å; S412-V415 WeakPolarHBondContact O-CG2 3.39Å; S412-V415 PolarHBondContact O-N 2.82Å; S412-V415 VanDerWaalsContact O-N 3.16Å | ||
| 413 | K | 96.1 | Very high | 95.9 | Very high | 171 Ų | 171 | 57.1 Ų | 57.1 | 74% | 0.743 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -19.9 | 171.7 | -63.8 | -171.3 | 175.9 | -172.1 | 0 | 113.1 | V415 E416 P417 | K413-V415 VanDerWaalsContact C-N 3.27Å; K413-V415 PolarHBondContact O-N 3.09Å; K413-E416 PolarHBondContact O-N 3.38Å; K413-P417 WeakPolarHBondContact O-CD 3.35Å |
| 414 | L | 96.7 | Very high | 95.8 | Very high | 52 Ų | 52 | 52.2 Ų | 52.2 | 27% | 0.272 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -28.3 | 176 | -68.6 | -179.7 | 0 | 0 | 0 | 112.9 | L397 L401 I408 S412 | L397-L414 HydrophobicContact CB-CB 4.34Å; L397-L414 HydrophobicContact CB-CD1 4.12Å; L397-L414 HydrophobicContact CD1-CB 4.32Å; L401-L414 HydrophobicContact CD1-CD1 3.88Å; L401-L414 HydrophobicContact CD2-CD1 4.16Å; L401-L414 HydrophobicContact CD2-CD2 4.27Å; L401-L414 HydrophobicContact CG-CD1 4.03Å; I408-L414 HydrophobicContact CD1-CD1 3.89Å; I408-L414 HydrophobicContact CG1-CD1 4.34Å; S412-L414 PolarHBondContact O-N 2.71Å; S412-L414 PolarHBondContact OG-N 3.4Å |
| 415 | V | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -15 | 179.9 | -63.5 | 0 | 0 | 0 | 0 | 112.9 | F390 A394 L397 I408 P410 S412 K413 P417 F418 F419 | F390-V415 HydrophobicContact CE2-CG1 4.18Å; A394-V415 HydrophobicContact CB-CG1 4.02Å; L397-V415 HydrophobicContact CD1-CG1 4.32Å; I408-V415 HydrophobicContact CG2-CG1 4.35Å; P410-V415 WeakPolarHBondContact O-CG2 3.34Å; S412-V415 WeakPolarHBondContact O-CG2 3.39Å; S412-V415 PolarHBondContact O-N 2.82Å; S412-V415 VanDerWaalsContact O-N 3.16Å; K413-V415 VanDerWaalsContact C-N 3.27Å; K413-V415 PolarHBondContact O-N 3.09Å; V415-P417 VanDerWaalsContact C-CD 3.4Å; V415-F418 WeakPolarHBondContact O-CB 3.39Å; V415-F418 WeakPolarHBondContact O-CD2 3.18Å; V415-F418 PolarHBondContact O-N 3.35Å; V415-F419 HydrophobicContact CB-CE1 4.27Å; V415-F419 HydrophobicContact CB-CZ 4.49Å; V415-F419 HydrophobicContact CG2-CE1 3.84Å; V415-F419 HydrophobicContact CG2-CZ 3.65Å |
| 416 | E | 96.1 | Very high | 95 | Very high | 111 Ų | 111 | 53.6 Ų | 53.6 | 52% | 0.519 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -55 | -37.7 | -177.3 | -170.6 | 171.3 | -168.9 | 0 | 0 | 114.9 | K413 F418 F419 | K413-E416 PolarHBondContact O-N 3.38Å; E416-F418 PolarHBondContact O-N 2.97Å; E416-F418 VanDerWaalsContact O-N 3.12Å; E416-F419 HydrophobicContact CB-CD2 4.16Å; E416-F419 HydrophobicContact CB-CE2 4.1Å; E416-F419 HydrophobicContact CG-CD2 3.98Å; E416-F419 HydrophobicContact CG-CE2 4.22Å; E416-F419 WeakPolarHBondContact O-CB 3.25Å; E416-F419 PolarHBondContact O-N 2.97Å |
| 417 | P | 96.1 | Very high | 94.6 | Very high | 71 Ų | 71 | 49.3 Ų | 49.3 | 46% | 0.461 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -59.2 | -24.9 | 176.2 | -26.8 | 36.6 | 0 | 0 | 0 | 114.6 | K413 V415 K421 | K413-P417 WeakPolarHBondContact O-CD 3.35Å; V415-P417 VanDerWaalsContact C-CD 3.4Å; P417-K421 WeakPolarHBondContact O-CD 3.08Å; P417-K421 WeakPolarHBondContact O-CE 3.46Å |
| 418 | F | 97.3 | Very high | 94 | Very high | 20 Ų | 20 | 52 Ų | 52 | 9% | 0.088 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -87.7 | -7.8 | 179.6 | -54 | -75.3 | 0 | 0 | 0 | 113 | L323 M328 T331 F334 L397 V415 E416 | L323-F418 HydrophobicContact CD1-CB 3.88Å; L323-F418 HydrophobicContact CG-CB 4.14Å; M328-F418 HydrophobicContact CB-CD1 4.16Å; M328-F418 HydrophobicContact CE-CD2 4.2Å; M328-F418 HydrophobicContact CE-CE2 4.13Å; M328-F418 HydrophobicContact CG-CD1 3.97Å; M328-F418 HydrophobicContact CG-CD2 4.35Å; M328-F418 HydrophobicContact CG-CE1 4.04Å; M328-F418 HydrophobicContact CG-CE2 4.43Å; M328-F418 HydrophobicContact CG-CG 4.13Å; M328-F418 HydrophobicContact CG-CZ 4.27Å; T331-F418 HydrophobicContact CG2-CE1 3.89Å; F334-F418 HydrophobicContact CE2-CZ 4.25Å; L397-F418 HydrophobicContact CD1-CE2 3.99Å; V415-F418 WeakPolarHBondContact O-CB 3.39Å; V415-F418 WeakPolarHBondContact O-CD2 3.18Å; V415-F418 PolarHBondContact O-N 3.35Å; E416-F418 PolarHBondContact O-N 2.97Å; E416-F418 VanDerWaalsContact O-N 3.12Å |
| 419 | F | 98 | Very high | 93.3 | Very high | 28 Ų | 28 | 53.9 Ų | 53.9 | 12% | 0.123 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -67.4 | 143 | -178.9 | -66.4 | -18.7 | 0 | 0 | 0 | 112.2 | L283 L322 L323 V415 E416 K421 | L283-F419 HydrophobicContact CD1-CD1 3.85Å; L283-F419 HydrophobicContact CD1-CE1 3.63Å; L283-F419 HydrophobicContact CD1-CZ 4.47Å; L283-F419 HydrophobicContact CD2-CE1 4.03Å; L283-F419 HydrophobicContact CG-CE1 4.43Å; L322-F419 CarbonylContact O-C 3.48Å; L322-F419 VanDerWaalsContact O-CA 3.3Å; L322-F419 WeakPolarHBondContact O-CA 3.4Å; L323-F419 HydrophobicContact CD1-CD1 4.3Å; L323-F419 HydrophobicContact CD1-CE1 4.29Å; V415-F419 HydrophobicContact CB-CE1 4.27Å; V415-F419 HydrophobicContact CB-CZ 4.49Å; V415-F419 HydrophobicContact CG2-CE1 3.84Å; V415-F419 HydrophobicContact CG2-CZ 3.65Å; E416-F419 HydrophobicContact CB-CD2 4.16Å; E416-F419 HydrophobicContact CB-CE2 4.1Å; E416-F419 HydrophobicContact CG-CD2 3.98Å; E416-F419 HydrophobicContact CG-CE2 4.22Å; E416-F419 WeakPolarHBondContact O-CB 3.25Å; E416-F419 PolarHBondContact O-N 2.97Å; F419-K421 PolarHBondContact O-N 3.1Å; F419-K421 PolarHBondContact O-NZ 3.27Å |
| 420 | N | 98.3 | Very high | 93 | Very high | 13 Ų | 13 | 52.6 Ų | 52.6 | 7% | 0.07 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 35.9 | 169.8 | -60.8 | -23.2 | 0 | 0 | 0 | 112.8 | M316 P320 R321 L322 I435 T436 | M316-N420 HydrophobicContact SD-CB 4.36Å; P320-N420 PolarHBondContact O-ND2 3.2Å; R321-N420 VanDerWaalsContact CA-OD1 3.31Å; R321-N420 WeakPolarHBondContact CA-OD1 3.35Å; L322-N420 PolarHBondContact N-OD1 2.78Å; L322-N420 PolarHBondContact O-N 2.72Å; N420-I435 HydrophobicContact CB-CB 4.17Å; N420-I435 WeakPolarHBondContact O-CB 3.09Å; N420-I435 PolarHBondContact O-N 2.81Å; N420-T436 HydrophobicContact CB-CG2 3.66Å; N420-T436 VanDerWaalsContact ND2-CG2 3.32Å; N420-T436 WeakPolarHBondContact ND2-CG2 3.32Å |
| 421 | K | 98.1 | Very high | 92.6 | Very high | 39 Ų | 39 | 55.3 Ų | 55.3 | 17% | 0.17 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 117.8 | 173.5 | -68.9 | 164.9 | -174.1 | 45.1 | 0 | 108.7 | L327 P417 F419 Y432 L433 | L327-K421 HydrophobicContact CD2-CB 3.37Å; L327-K421 WeakPolarHBondContact CD2-O 3.42Å; P417-K421 WeakPolarHBondContact O-CD 3.08Å; P417-K421 WeakPolarHBondContact O-CE 3.46Å; F419-K421 PolarHBondContact O-N 3.1Å; F419-K421 PolarHBondContact O-NZ 3.27Å; K421-Y432 HydrophobicContact CB-CD2 4.1Å; K421-Y432 HydrophobicContact CB-CG 4.05Å; K421-Y432 HydrophobicContact CD-CD1 4.4Å; K421-Y432 HydrophobicContact CD-CD2 4.07Å; K421-Y432 HydrophobicContact CD-CE1 4.3Å; K421-Y432 HydrophobicContact CD-CE2 3.99Å; K421-Y432 HydrophobicContact CD-CG 4.3Å; K421-Y432 HydrophobicContact CG-CD2 3.8Å; K421-Y432 HydrophobicContact CG-CE2 4.09Å; K421-Y432 HydrophobicContact CG-CG 4.18Å; K421-L433 VanDerWaalsContact CA-O 3.31Å; K421-L433 WeakPolarHBondContact CA-O 3.43Å |
| 422 | L | 97.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 139.9 | 180 | -61 | -177.7 | 0 | 0 | 0 | 110 | M289 L290 V293 L322 L424 Y432 L433 I435 | M289-L422 HydrophobicContact CG-CD2 3.56Å; M289-L422 HydrophobicContact SD-CD2 4Å; L290-L422 HydrophobicContact CD1-CB 4.49Å; L290-L422 HydrophobicContact CD1-CD1 3.81Å; V293-L422 HydrophobicContact CB-CD1 4.37Å; V293-L422 HydrophobicContact CG1-CD1 4.46Å; V293-L422 HydrophobicContact CG2-CD1 4.3Å; L322-L422 HydrophobicContact CB-CD2 4.44Å; L322-L422 HydrophobicContact CD1-CD2 4.28Å; L422-L424 PolarHBondContact O-N 3.12Å; L422-Y432 CarbonylContact O-C 3.57Å; L422-Y432 WeakPolarHBondContact O-CA 3.49Å; L422-Y432 WeakPolarHBondContact O-CB 3.39Å; L422-L433 HydrophobicContact CB-CB 4.36Å; L422-L433 PolarHBondContact N-O 3.34Å; L422-L433 PolarHBondContact O-N 2.84Å; L422-I435 HydrophobicContact CD1-CD1 3.85Å; L422-I435 HydrophobicContact CD1-CG1 4.22Å; L422-I435 HydrophobicContact CG-CD1 4.18Å; L422-I435 HydrophobicContact CG-CG1 4.1Å |
| 423 | F | 96.2 | Very high | 92.5 | Very high | 33 Ų | 33 | 49.5 Ų | 49.5 | 15% | 0.145 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 134.5 | -179.6 | -176.3 | -101.6 | 0 | 0 | 0 | 111.3 | N288 D324 K326 L327 M425 | N288-F423 WeakPolarHBondContact OD1-CD1 3.47Å; D324-F423 VanDerWaalsContact OD2-CB 3.29Å; D324-F423 WeakPolarHBondContact OD2-CB 3.45Å; D324-F423 PolarHBondContact OD2-N 3.04Å; D324-F423 VanDerWaalsContact OD2-N 3.12Å; K326-F423 HydrophobicContact CB-CB 4.48Å; K326-F423 HydrophobicContact CB-CG 4.33Å; K326-F423 HydrophobicContact CD-CD1 3.67Å; K326-F423 HydrophobicContact CD-CE1 3.66Å; K326-F423 HydrophobicContact CD-CG 4.09Å; K326-F423 HydrophobicContact CD-CZ 4.11Å; K326-F423 VanDerWaalsContact CE-CE1 3.4Å; K326-F423 HydrophobicContact CG-CD1 4.15Å; K326-F423 HydrophobicContact CG-CD2 4.11Å; K326-F423 HydrophobicContact CG-CE1 4.22Å; K326-F423 HydrophobicContact CG-CE2 4.19Å; K326-F423 HydrophobicContact CG-CG 4.08Å; K326-F423 HydrophobicContact CG-CZ 4.24Å; L327-F423 HydrophobicContact CB-CB 4.17Å; L327-F423 HydrophobicContact CB-CD2 4.25Å; L327-F423 HydrophobicContact CD1-CD2 4.39Å; F423-M425 HydrophobicContact CD1-CB 4.47Å; F423-M425 HydrophobicContact CE1-CB 4.17Å |
| 424 | L | 92.4 | Very high | 92.5 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | trans | -104 | 102.9 | 174 | -75.3 | 175.2 | 0 | 0 | 0 | 110.6 | R53 L290 L422 R426 I427 I430 P431 Y432 L433 | R53-L424 HydrophobicContact CG-CD2 4.2Å; L290-L424 HydrophobicContact CD2-CD2 3.97Å; L422-L424 PolarHBondContact O-N 3.12Å; L424-R426 PolarHBondContact O-N 2.9Å; L424-I427 HydrophobicContact CB-CB 4.47Å; L424-I427 HydrophobicContact CB-CD1 3.88Å; L424-I427 HydrophobicContact CB-CG1 4.22Å; L424-I427 HydrophobicContact CD1-CD1 3.82Å; L424-I427 HydrophobicContact CD2-CD1 4.29Å; L424-I427 HydrophobicContact CG-CD1 4.21Å; L424-I430 HydrophobicContact CD1-CG2 3.9Å; L424-P431 PolarHBondContact N-O 3.33Å; L424-Y432 VanDerWaalsContact CD1-C 3.41Å; L424-L433 HydrophobicContact CD1-CB 4.08Å; L424-L433 HydrophobicContact CD2-CB 4.1Å; L424-L433 HydrophobicContact CG-CB 4.04Å | ||
| 425 | M | 85.4 | Confident | 92.6 | Very high | 66 Ų | 66 | 40.2 Ų | 40.2 | 33% | 0.325 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 130.6 | -178.2 | -173.9 | 166.5 | 77.2 | 0 | 0 | 112 | T44 R53 F423 I427 | T44-M425 HydrophobicContact CG2-CE 3.73Å; R53-M425 PolarHBondContact NH1-O 3.26Å; R53-M425 PolarHBondContact NH2-O 3.38Å; F423-M425 HydrophobicContact CD1-CB 4.47Å; F423-M425 HydrophobicContact CE1-CB 4.17Å; M425-I427 PolarHBondContact O-N 2.92Å |
| 426 | R | 83.5 | Confident | 92.4 | Very high | 139 Ų | 139 | 44.1 Ų | 44.1 | 53% | 0.525 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 6.1 | 171.2 | -67 | 165.5 | 177.5 | -168.8 | 2.3 | 116.6 | V40 T44 G46 L424 | V40-R426 VanDerWaalsContact CG1-NH1 3.28Å; T44-R426 WeakPolarHBondContact OG1-CD 3.27Å; T44-R426 PolarHBondContact OG1-NH1 3.49Å; G46-R426 WeakPolarHBondContact CA-O 3.2Å; L424-R426 PolarHBondContact O-N 2.9Å |
| 427 | I | 83.7 | Confident | 92.1 | Very high | 16 Ų | 16 | 39.7 Ų | 39.7 | 8% | 0.082 | 20% | 0.204 | C | C | . | . | trans | -74.3 | 134 | 167.6 | -55.9 | -174.1 | 0 | 0 | 0 | 108.5 | L424 M425 I430 | L424-I427 HydrophobicContact CB-CB 4.47Å; L424-I427 HydrophobicContact CB-CD1 3.88Å; L424-I427 HydrophobicContact CB-CG1 4.22Å; L424-I427 HydrophobicContact CD1-CD1 3.82Å; L424-I427 HydrophobicContact CD2-CD1 4.29Å; L424-I427 HydrophobicContact CG-CD1 4.21Å; M425-I427 PolarHBondContact O-N 2.92Å; I427-I430 HydrophobicContact CG2-CB 3.81Å; I427-I430 HydrophobicContact CG2-CG1 4.16Å | ||
| 428 | I | 80.9 | Confident | 91.9 | Very high | 111 Ų | 111 | 41.8 Ų | 41.8 | 57% | 0.569 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -75.3 | -40.5 | -169.9 | -60.7 | 167.5 | 0 | 0 | 0 | 111 | G46 L47 | G46-I428 PolarHBondContact O-N 3.16Å; G46-I428 VanDerWaalsContact O-N 3.12Å; L47-I428 HydrophobicContact CD2-CD1 4.34Å |
| 429 | D | 83.2 | Confident | 91.6 | Very high | 46 Ų | 46 | 41.9 Ų | 41.9 | 25% | 0.246 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -124.1 | -7.7 | -162.4 | 54.5 | 1.4 | 0 | 0 | 0 | 114.2 | P442 R444 | D429-P442 HydrophobicContact CB-CB 3.62Å; D429-P442 HydrophobicContact CB-CG 4.24Å; D429-P442 VanDerWaalsContact CG-CG 3.44Å; D429-P442 WeakPolarHBondContact OD2-CB 3.28Å; D429-P442 WeakPolarHBondContact OD2-CG 3.42Å; D429-R444 IonicContact OD1-CZ 3.61Å; D429-R444 IonicContact OD1-NE 3.54Å; D429-R444 IonicContact OD1-NH2 2.67Å; D429-R444 PolarHBondContact OD1-NH2 3.24Å; D429-R444 WeakPolarHBondContact OD2-CG 3.41Å; D429-R444 IonicContact OD2-CZ 2.8Å; D429-R444 IonicContact OD2-NE 3.64Å; D429-R444 PolarHBondContact OD2-NE 3.13Å; D429-R444 IonicContact OD2-NH2 2.78Å; D429-R444 PolarHBondContact OD2-NH2 2.75Å |
| 430 | I | 87.9 | Confident | 91.2 | Very high | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.015 | 23% | 0.233 | C | C | . | . | trans | -117 | 101.3 | 174.3 | -49.9 | 175.4 | 0 | 0 | 0 | 108.2 | P50 L424 I427 Y432 P442 | P50-I430 HydrophobicContact CG-CD1 3.95Å; P50-I430 HydrophobicContact CG-CG2 4.36Å; L424-I430 HydrophobicContact CD1-CG2 3.9Å; I427-I430 HydrophobicContact CG2-CB 3.81Å; I427-I430 HydrophobicContact CG2-CG1 4.16Å; I430-Y432 VanDerWaalsContact C-N 3.32Å; I430-Y432 WeakPolarHBondContact CG2-O 3.44Å; I430-Y432 PolarHBondContact O-N 3.18Å; I430-P442 HydrophobicContact CD1-CG 4.07Å; I430-P442 HydrophobicContact CG1-CG 3.85Å | ||
| 431 | P | 87.4 | Confident | 90.5 | Very high | 59 Ų | 59 | 51.2 Ų | 51.2 | 38% | 0.383 | 27% | 0.265 | S | S | . | . | trans | -72.3 | -23.8 | -173.3 | 25.8 | -33.9 | 0 | 0 | 0 | 113.9 | L424 L440 | L424-P431 PolarHBondContact N-O 3.33Å; P431-L440 HydrophobicContact CG-CD1 4.08Å | ||
| 432 | Y | 94.1 | Very high | 89.8 | Confident | 51 Ų | 51 | 51 Ų | 51 | 20% | 0.2 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 156.2 | -173.9 | 54.8 | -104.9 | 0 | 0 | 0 | 113.1 | L327 K421 L422 L424 I430 N434 L440 | L327-Y432 HydrophobicContact CD1-CD1 3.99Å; L327-Y432 HydrophobicContact CD1-CG 4.46Å; L327-Y432 HydrophobicContact CD2-CD1 4.13Å; L327-Y432 HydrophobicContact CD2-CG 4.08Å; K421-Y432 HydrophobicContact CB-CD2 4.1Å; K421-Y432 HydrophobicContact CB-CG 4.05Å; K421-Y432 HydrophobicContact CD-CD1 4.4Å; K421-Y432 HydrophobicContact CD-CD2 4.07Å; K421-Y432 HydrophobicContact CD-CE1 4.3Å; K421-Y432 HydrophobicContact CD-CE2 3.99Å; K421-Y432 HydrophobicContact CD-CG 4.3Å; K421-Y432 HydrophobicContact CG-CD2 3.8Å; K421-Y432 HydrophobicContact CG-CE2 4.09Å; K421-Y432 HydrophobicContact CG-CG 4.18Å; L422-Y432 CarbonylContact O-C 3.57Å; L422-Y432 WeakPolarHBondContact O-CA 3.49Å; L422-Y432 WeakPolarHBondContact O-CB 3.39Å; L424-Y432 VanDerWaalsContact CD1-C 3.41Å; I430-Y432 VanDerWaalsContact C-N 3.32Å; I430-Y432 WeakPolarHBondContact CG2-O 3.44Å; I430-Y432 PolarHBondContact O-N 3.18Å; Y432-N434 HydrophobicContact CD2-CB 4.26Å; Y432-N434 HydrophobicContact CE2-CB 4.19Å; Y432-L440 HydrophobicContact CE1-CD1 4.2Å; Y432-L440 HydrophobicContact CE2-CD1 4.3Å; Y432-L440 HydrophobicContact CE2-CG 4.44Å |
| 433 | L | 96.3 | Very high | 89 | Confident | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 118.5 | 164.9 | 178.7 | 69 | 0 | 0 | 0 | 108.4 | P50 L290 L308 F311 K421 L422 L424 I435 | P50-L433 HydrophobicContact CB-CD1 3.92Å; L290-L433 HydrophobicContact CD1-CD2 3.91Å; L308-L433 HydrophobicContact CD1-CD1 4Å; L308-L433 HydrophobicContact CD1-CD2 4.24Å; L308-L433 HydrophobicContact CD2-CD1 3.85Å; L308-L433 HydrophobicContact CG-CD1 4.4Å; F311-L433 HydrophobicContact CE1-CD2 4.22Å; K421-L433 VanDerWaalsContact CA-O 3.31Å; K421-L433 WeakPolarHBondContact CA-O 3.43Å; L422-L433 HydrophobicContact CB-CB 4.36Å; L422-L433 PolarHBondContact N-O 3.34Å; L422-L433 PolarHBondContact O-N 2.84Å; L424-L433 HydrophobicContact CD1-CB 4.08Å; L424-L433 HydrophobicContact CD2-CB 4.1Å; L424-L433 HydrophobicContact CG-CB 4.04Å; L433-I435 HydrophobicContact CD2-CD1 3.71Å; L433-I435 HydrophobicContact CG-CD1 3.91Å |
| 434 | N | 97 | Very high | 88.6 | Confident | 22 Ų | 22 | 58 Ų | 58 | 12% | 0.118 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 109.1 | 179 | -173.3 | 8.5 | 0 | 0 | 0 | 109.7 | K312 Y432 T436 P438 D439 | K312-N434 WeakPolarHBondContact CD-O 3.18Å; K312-N434 WeakPolarHBondContact CE-O 3.13Å; K312-N434 PolarHBondContact NZ-O 3.13Å; Y432-N434 HydrophobicContact CD2-CB 4.26Å; Y432-N434 HydrophobicContact CE2-CB 4.19Å; N434-T436 PolarHBondContact OD1-OG1 3.44Å; N434-P438 PolarHBondContact ND2-O 3.5Å; N434-D439 PolarHBondContact N-OD1 3.01Å |
| 435 | I | 97.3 | Very high | 88.4 | Confident | 5 Ų | 5 | 62.5 Ų | 62.5 | 3% | 0.026 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -76.4 | -32.6 | -175.5 | -55 | -60.8 | 0 | 0 | 0 | 111.4 | F311 K312 A315 M316 N420 L422 L433 | F311-I435 HydrophobicContact CE1-CD1 4.44Å; K312-I435 HydrophobicContact CB-CG2 4.38Å; K312-I435 HydrophobicContact CG-CD1 4.33Å; A315-I435 HydrophobicContact CB-CG2 4.02Å; M316-I435 HydrophobicContact CG-CG2 3.73Å; M316-I435 HydrophobicContact SD-CG2 3.74Å; N420-I435 HydrophobicContact CB-CB 4.17Å; N420-I435 WeakPolarHBondContact O-CB 3.09Å; N420-I435 PolarHBondContact O-N 2.81Å; L422-I435 HydrophobicContact CD1-CD1 3.85Å; L422-I435 HydrophobicContact CD1-CG1 4.22Å; L422-I435 HydrophobicContact CG-CD1 4.18Å; L422-I435 HydrophobicContact CG-CG1 4.1Å; L433-I435 HydrophobicContact CD2-CD1 3.71Å; L433-I435 HydrophobicContact CG-CD1 3.91Å |
| 436 | T | 93.9 | Very high | 88.5 | Confident | 82 Ų | 82 | 62.3 Ų | 62.3 | 50% | 0.503 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -88 | -4.5 | -177.9 | 44.8 | 0 | 0 | 0 | 0 | 114.9 | M316 N420 N434 | M316-T436 HydrophobicContact CE-CG2 3.83Å; M316-T436 HydrophobicContact SD-CG2 3.64Å; N420-T436 HydrophobicContact CB-CG2 3.66Å; N420-T436 VanDerWaalsContact ND2-CG2 3.32Å; N420-T436 WeakPolarHBondContact ND2-CG2 3.32Å; N434-T436 PolarHBondContact OD1-OG1 3.44Å |
| 437 | G | 89.9 | Confident | 88.8 | Confident | 18 Ų | 18 | 55.8 Ų | 55.8 | 19% | 0.186 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -165.1 | -172.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | K312 | K312-G437 PolarHBondContact NZ-O 2.67Å; K312-G437 VanDerWaalsContact NZ-O 3.1Å |
| 438 | P | 91.1 | Very high | 89.2 | Confident | 116 Ų | 116 | 55 Ų | 55 | 75% | 0.753 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 149.7 | 178.2 | 28.2 | -34.4 | 0 | 0 | 0 | 110.8 | N434 | N434-P438 PolarHBondContact ND2-O 3.5Š|
| 439 | D | 91.8 | Very high | 89.7 | Confident | 21 Ų | 21 | 51.4 Ų | 51.4 | 11% | 0.112 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -79.7 | 155.6 | 172.7 | -60.2 | -58.1 | 0 | 0 | 0 | 111 | P50 K312 N434 Q441 | P50-D439 HydrophobicContact CB-CB 4.39Å; P50-D439 HydrophobicContact CG-CB 3.71Å; K312-D439 IonicContact NZ-OD1 3.66Å; K312-D439 PolarHBondContact NZ-OD1 2.85Å; K312-D439 IonicContact NZ-OD2 2.84Å; K312-D439 PolarHBondContact NZ-OD2 2.68Å; N434-D439 PolarHBondContact N-OD1 3.01Å; D439-Q441 PolarHBondContact O-N 3.24Å |
| 440 | L | 88.1 | Confident | 90.2 | Very high | 78 Ų | 78 | 49.2 Ų | 49.2 | 41% | 0.408 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 133.8 | 175.2 | -67.3 | 172.7 | 0 | 0 | 0 | 110.1 | P431 Y432 P442 | P431-L440 HydrophobicContact CG-CD1 4.08Å; Y432-L440 HydrophobicContact CE1-CD1 4.2Å; Y432-L440 HydrophobicContact CE2-CD1 4.3Å; Y432-L440 HydrophobicContact CE2-CG 4.44Å; L440-P442 VanDerWaalsContact O-CD 3.28Å; L440-P442 WeakPolarHBondContact O-CD 3.46Å |
| 441 | Q | 84.6 | Confident | 90.5 | Very high | 159 Ų | 159 | 51.1 Ų | 51.1 | 74% | 0.743 | 27% | 0.271 | S | S | * | . | trans | -100.2 | 100.2 | 175.3 | -64.2 | -59.1 | -42.6 | 0 | 0 | 108.9 | D439 | D439-Q441 PolarHBondContact O-N 3.24Š| ||
| 442 | P | 83.2 | Confident | 90.8 | Very high | 34 Ų | 34 | 48.9 Ų | 48.9 | 22% | 0.221 | 26% | 0.255 | C | S | . | . | trans | -72.6 | 144.6 | -177.9 | 30.8 | -35.7 | 0 | 0 | 0 | 111.2 | D429 I430 L440 R444 | D429-P442 HydrophobicContact CB-CB 3.62Å; D429-P442 HydrophobicContact CB-CG 4.24Å; D429-P442 VanDerWaalsContact CG-CG 3.44Å; D429-P442 WeakPolarHBondContact OD2-CB 3.28Å; D429-P442 WeakPolarHBondContact OD2-CG 3.42Å; I430-P442 HydrophobicContact CD1-CG 4.07Å; I430-P442 HydrophobicContact CG1-CG 3.85Å; L440-P442 VanDerWaalsContact O-CD 3.28Å; L440-P442 WeakPolarHBondContact O-CD 3.46Å; P442-R444 HydrophobicContact CB-CG 4.39Å; P442-R444 HydrophobicContact CG-CG 4.14Å; P442-R444 PolarHBondContact O-N 2.87Å | ||
| 443 | K | 81.5 | Confident | 90.9 | Very high | 174 Ų | 174 | 48.5 Ų | 48.5 | 76% | 0.757 | 26% | 0.259 | S | S | * | . | trans | -77.5 | 91.1 | 173.3 | -66.7 | -172.1 | -179.4 | -177.4 | 0 | 109.9 | D445 | K443-D445 PolarHBondContact O-N 3.24Š| ||
| 444 | R | 87.5 | Confident | 90.7 | Very high | 7 Ų | 7 | 54.8 Ų | 54.8 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | trans | -88.7 | 33.1 | 177.9 | -69.9 | 178.9 | 178.2 | 177.5 | -1.5 | 112.6 | L47 D48 D429 P442 H446 V447 Y509 | L47-R444 PolarHBondContact O-NH1 3.42Å; D48-R444 PolarHBondContact O-NH2 3.37Å; D429-R444 IonicContact OD1-CZ 3.61Å; D429-R444 IonicContact OD1-NE 3.54Å; D429-R444 IonicContact OD1-NH2 2.67Å; D429-R444 PolarHBondContact OD1-NH2 3.24Å; D429-R444 WeakPolarHBondContact OD2-CG 3.41Å; D429-R444 IonicContact OD2-CZ 2.8Å; D429-R444 IonicContact OD2-NE 3.64Å; D429-R444 PolarHBondContact OD2-NE 3.13Å; D429-R444 IonicContact OD2-NH2 2.78Å; D429-R444 PolarHBondContact OD2-NH2 2.75Å; P442-R444 HydrophobicContact CB-CG 4.39Å; P442-R444 HydrophobicContact CG-CG 4.14Å; P442-R444 PolarHBondContact O-N 2.87Å; R444-H446 PolarHBondContact O-N 2.88Å; R444-H446 VanDerWaalsContact O-N 3.1Å; R444-V447 HydrophobicContact CB-CB 4.14Å; R444-V447 HydrophobicContact CB-CG2 3.84Å; R444-V447 HydrophobicContact CG-CG2 4.19Å; R444-V447 WeakPolarHBondContact O-CB 3.45Å; R444-V447 PolarHBondContact O-N 3.16Å; R444-Y509 HydrophobicContact CB-CD1 3.57Å; R444-Y509 HydrophobicContact CB-CE1 3.98Å; R444-Y509 HydrophobicContact CB-CG 3.98Å; R444-Y509 HydrophobicContact CG-CD1 4.4Å; R444-Y509 HydrophobicContact CG-CE1 4.34Å; R444-Y509 PolarHBondContact NH1-OH 3.49Å | ||
| 445 | D | 87.4 | Confident | 90.6 | Very high | 100 Ų | 100 | 59.8 Ų | 59.8 | 54% | 0.535 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -23.1 | -177.2 | -55.8 | -20.8 | 0 | 0 | 0 | 112.5 | K443 T488 V491 | K443-D445 PolarHBondContact O-N 3.24Å; D445-T488 HydrophobicContact CB-CG2 3.65Å; D445-V491 VanDerWaalsContact O-CG2 3.31Å; D445-V491 WeakPolarHBondContact O-CG2 3.49Å |
| 446 | H | 87.5 | Confident | 90.3 | Very high | 63 Ų | 63 | 62 Ų | 62 | 29% | 0.292 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -0.3 | 177.3 | 65.6 | -76.4 | 0 | 0 | 0 | 113.8 | R444 L485 | R444-H446 PolarHBondContact O-N 2.88Å; R444-H446 VanDerWaalsContact O-N 3.1Å; H446-L485 PolarHBondContact O-N 3.45Å |
| 447 | V | 90.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 132.3 | -177.2 | -174.7 | 0 | 0 | 0 | 0 | 110.2 | L47 R444 F482 Y509 | L47-V447 HydrophobicContact CD1-CG1 3.95Å; L47-V447 HydrophobicContact CD2-CG2 4.39Å; R444-V447 HydrophobicContact CB-CB 4.14Å; R444-V447 HydrophobicContact CB-CG2 3.84Å; R444-V447 HydrophobicContact CG-CG2 4.19Å; R444-V447 WeakPolarHBondContact O-CB 3.45Å; R444-V447 PolarHBondContact O-N 3.16Å; V447-F482 HydrophobicContact CG1-CB 4.02Å; V447-F482 HydrophobicContact CG1-CD1 4.1Å; V447-F482 HydrophobicContact CG1-CG 4.29Å; V447-Y509 HydrophobicContact CB-CG 4.46Å; V447-Y509 HydrophobicContact CG1-CD2 4.19Å; V447-Y509 VanDerWaalsContact O-CB 3.32Å; V447-Y509 WeakPolarHBondContact O-CB 3.45Å; V447-Y509 PolarHBondContact O-N 2.68Å; V447-Y509 VanDerWaalsContact O-N 3.1Å |
| 448 | L | 91.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 139.8 | 179 | -66 | 173.2 | 0 | 0 | 0 | 109.9 | V450 F465 F482 V483 L485 V491 A494 M495 I506 | L448-V450 HydrophobicContact CB-CG2 4.46Å; L448-F465 HydrophobicContact CD1-CE1 3.69Å; L448-F465 HydrophobicContact CD1-CZ 4.3Å; L448-F482 CarbonylContact O-C 3.59Å; L448-F482 VanDerWaalsContact O-CA 3.26Å; L448-F482 WeakPolarHBondContact O-CA 3.5Å; L448-V483 PolarHBondContact N-O 2.77Å; L448-V483 PolarHBondContact O-N 3.5Å; L448-L485 HydrophobicContact CD1-CD1 3.77Å; L448-L485 HydrophobicContact CD1-CD2 4.4Å; L448-L485 HydrophobicContact CD1-CG 4.04Å; L448-V491 HydrophobicContact CD2-CG1 3.7Å; L448-A494 HydrophobicContact CD1-CB 3.81Å; L448-M495 HydrophobicContact CD2-CG 4.16Å; L448-M495 HydrophobicContact CD2-SD 4.19Å; L448-I506 HydrophobicContact CB-CG2 3.96Å; L448-I506 HydrophobicContact CD1-CG2 3.96Å; L448-I506 HydrophobicContact CD2-CG2 3.77Å; L448-I506 HydrophobicContact CG-CG2 4.12Å |
| 449 | Y | 92.6 | Very high | 90.3 | Very high | 36 Ų | 36 | 64.7 Ų | 64.7 | 14% | 0.141 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 126.6 | 166 | 173.4 | -91.8 | 0 | 0 | 0 | 109 | T451 I476 F482 I506 Q507 Y512 | Y449-T451 HydrophobicContact CD1-CG2 4.21Å; Y449-T451 HydrophobicContact CE1-CG2 3.28Å; Y449-T451 WeakPolarHBondContact OH-CG2 3.45Å; Y449-I476 HydrophobicContact CD2-CD1 3.51Å; Y449-I476 HydrophobicContact CE2-CD1 3.46Å; Y449-I476 VanDerWaalsContact CE2-CD1 3.46Å; Y449-F482 HydrophobicContact CD2-CD1 4.21Å; Y449-F482 AromaticContact CD2-CE1 3.81Å; Y449-F482 HydrophobicContact CD2-CE1 3.81Å; Y449-F482 HydrophobicContact CD2-CZ 4.42Å; Y449-F482 HydrophobicContact CG-CE1 4.41Å; Y449-I506 WeakPolarHBondContact O-CA 3.5Å; Y449-Q507 VanDerWaalsContact CD1-CD 3.41Å; Y449-Q507 HydrophobicContact CD1-CG 3.58Å; Y449-Q507 VanDerWaalsContact CE1-NE2 3.28Å; Y449-Q507 HydrophobicContact CG-CG 4.09Å; Y449-Q507 PolarHBondContact N-O 3.09Å; Y449-Q507 PolarHBondContact O-N 3.01Å; Y449-Y512 HydrophobicContact CD1-CD2 4.16Å; Y449-Y512 AromaticContact CD2-CD2 3.66Å; Y449-Y512 HydrophobicContact CD2-CD2 3.66Å; Y449-Y512 AromaticContact CD2-CE2 3.81Å; Y449-Y512 HydrophobicContact CD2-CE2 3.81Å; Y449-Y512 HydrophobicContact CD2-CG 4.18Å; Y449-Y512 HydrophobicContact CE1-CD2 4.23Å; Y449-Y512 AromaticContact CE2-CD2 3.83Å; Y449-Y512 HydrophobicContact CE2-CD2 3.83Å; Y449-Y512 AromaticContact CE2-CE2 3.6Å; Y449-Y512 HydrophobicContact CE2-CE2 3.6Å; Y449-Y512 AromaticContact CG-CD2 3.82Å; Y449-Y512 HydrophobicContact CG-CD2 3.82Å; Y449-Y512 HydrophobicContact CG-CE2 4.41Å; Y449-Y512 HydrophobicContact CG-CG 4.19Å |
| 450 | V | 93.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 127.8 | -176.4 | -165.9 | 0 | 0 | 0 | 0 | 109 | L448 F452 L461 F465 S480 A481 V483 Y504 K505 I506 | L448-V450 HydrophobicContact CB-CG2 4.46Å; V450-F452 HydrophobicContact CB-CD1 4.28Å; V450-F452 HydrophobicContact CB-CE1 4.42Å; V450-F452 HydrophobicContact CG1-CD1 3.91Å; V450-F452 WeakPolarHBondContact O-CE1 3.25Å; V450-L461 HydrophobicContact CG1-CD2 4.4Å; V450-F465 HydrophobicContact CG2-CE2 3.99Å; V450-F465 HydrophobicContact CG2-CZ 3.71Å; V450-S480 VanDerWaalsContact O-CA 3.23Å; V450-S480 WeakPolarHBondContact O-CA 3.28Å; V450-A481 PolarHBondContact N-O 2.99Å; V450-A481 PolarHBondContact O-N 3.5Å; V450-V483 HydrophobicContact CG2-CB 4.2Å; V450-V483 HydrophobicContact CG2-CG2 3.71Å; V450-Y504 HydrophobicContact CG1-CD2 4.47Å; V450-K505 WeakPolarHBondContact CA-O 3.44Å; V450-I506 HydrophobicContact CG1-CG1 4.16Å; V450-I506 HydrophobicContact CG2-CG1 4.31Å |
| 451 | T | 93.4 | Very high | 90.6 | Very high | 42 Ų | 42 | 62.5 Ų | 62.5 | 26% | 0.258 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 140.1 | 169 | 51.9 | 0 | 0 | 0 | 0 | 110.4 | Y449 T479 Y504 K505 | Y449-T451 HydrophobicContact CD1-CG2 4.21Å; Y449-T451 HydrophobicContact CE1-CG2 3.28Å; Y449-T451 WeakPolarHBondContact OH-CG2 3.45Å; T451-T479 CarbonylContact C-O 3.58Å; T451-T479 VanDerWaalsContact CA-O 3.27Å; T451-T479 WeakPolarHBondContact CA-O 3.26Å; T451-Y504 CarbonylContact O-C 3.52Å; T451-Y504 WeakPolarHBondContact O-CA 3.22Å; T451-Y504 VanDerWaalsContact O-CB 3.28Å; T451-Y504 WeakPolarHBondContact O-CB 3.39Å; T451-K505 PolarHBondContact N-O 2.8Å; T451-K505 PolarHBondContact O-N 3.09Å; T451-K505 WeakPolarHBondContact OG1-CB 3.43Å |
| 452 | F | 94.7 | Very high | 90.9 | Very high | 12 Ų | 12 | 60 Ų | 60 | 5% | 0.053 | 29% | 0.292 | C | S | . | . | trans | -153.5 | 169.7 | -172.4 | 45.2 | -103.3 | 0 | 0 | 0 | 110.7 | V450 W456 L461 W475 T479 A481 | V450-F452 HydrophobicContact CB-CD1 4.28Å; V450-F452 HydrophobicContact CB-CE1 4.42Å; V450-F452 HydrophobicContact CG1-CD1 3.91Å; V450-F452 WeakPolarHBondContact O-CE1 3.25Å; F452-W456 HydrophobicContact CB-CD2 3.65Å; F452-W456 HydrophobicContact CB-CE3 3.55Å; F452-W456 HydrophobicContact CB-CG 4.08Å; F452-W456 HydrophobicContact CB-CH2 4.46Å; F452-W456 HydrophobicContact CB-CZ3 3.98Å; F452-W456 HydrophobicContact CD1-CE3 4.21Å; F452-W456 HydrophobicContact CD2-CB 3.64Å; F452-W456 HydrophobicContact CD2-CD2 4.38Å; F452-W456 HydrophobicContact CD2-CE3 4.36Å; F452-W456 HydrophobicContact CD2-CG 4.11Å; F452-W456 HydrophobicContact CE2-CB 4.19Å; F452-W456 HydrophobicContact CG-CB 4.22Å; F452-W456 HydrophobicContact CG-CD2 4.08Å; F452-W456 AromaticContact CG-CE3 3.77Å; F452-W456 HydrophobicContact CG-CE3 3.77Å; F452-W456 HydrophobicContact CG-CG 4.29Å; F452-W456 HydrophobicContact CG-CZ3 4.47Å; F452-L461 HydrophobicContact CD1-CD2 3.85Å; F452-L461 HydrophobicContact CE1-CD1 4Å; F452-L461 HydrophobicContact CE1-CD2 3.84Å; F452-L461 HydrophobicContact CE1-CG 4.41Å; F452-L461 HydrophobicContact CZ-CD1 4.22Å; F452-W475 HydrophobicContact CE2-CE3 4.41Å; F452-W475 AromaticContact CE2-CH2 3.82Å; F452-W475 HydrophobicContact CE2-CH2 3.82Å; F452-W475 AromaticContact CE2-CZ3 3.41Å; F452-W475 HydrophobicContact CE2-CZ3 3.41Å; F452-W475 VanDerWaalsContact CE2-CZ3 3.41Å; F452-W475 AromaticContact CZ-CE3 3.96Å; F452-W475 HydrophobicContact CZ-CE3 3.96Å; F452-W475 AromaticContact CZ-CH2 3.74Å; F452-W475 HydrophobicContact CZ-CH2 3.74Å; F452-W475 AromaticContact CZ-CZ3 3.28Å; F452-W475 HydrophobicContact CZ-CZ3 3.28Å; F452-T479 PolarHBondContact N-O 2.83Å; F452-T479 WeakPolarHBondContact O-CA 3.42Å; F452-A481 HydrophobicContact CE1-CB 3.89Å; F452-A481 HydrophobicContact CZ-CB 3.99Å | ||
| 453 | P | 94.8 | Very high | 91.3 | Very high | 43 Ų | 43 | 65.2 Ų | 65.2 | 28% | 0.279 | 31% | 0.313 | S | S | . | . | trans | -65.9 | 145.2 | 176.8 | -18.1 | 34.4 | 0 | 0 | 0 | 111.3 | E455 W456 S503 | P453-E455 WeakPolarHBondContact CB-OE2 3.23Å; P453-E455 PolarHBondContact O-N 2.63Å; P453-W456 WeakPolarHBondContact O-CB 3.38Å; P453-W456 PolarHBondContact O-N 2.85Å; P453-S503 WeakPolarHBondContact CD-O 3.45Å | ||
| 454 | K | 93.4 | Very high | 91.8 | Very high | 138 Ų | 138 | 59 Ų | 59 | 60% | 0.6 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -16.3 | -175.5 | 65.8 | -180 | -179.3 | -179.7 | 0 | 115.3 | W456 D478 T479 | K454-W456 VanDerWaalsContact C-N 3.26Å; K454-D478 WeakPolarHBondContact CA-O 3.43Å; K454-T479 HydrophobicContact CB-CG2 4Å |
| 455 | E | 93.8 | Very high | 92 | Very high | 126 Ų | 126 | 58.8 Ų | 58.8 | 59% | 0.589 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -13.8 | 179.5 | -58.3 | 74.9 | -160.4 | 0 | 0 | 112.7 | P453 | P453-E455 WeakPolarHBondContact CB-OE2 3.23Å; P453-E455 PolarHBondContact O-N 2.63Å |
| 456 | W | 92.4 | Very high | 92.1 | Very high | 53 Ų | 53 | 58 Ų | 58 | 20% | 0.201 | 29% | 0.289 | C | S | . | . | trans | -69.6 | 140.7 | -176.8 | -78.6 | 34.9 | 0 | 0 | 0 | 112.1 | F452 P453 K454 D460 L461 L464 Y504 | F452-W456 HydrophobicContact CB-CD2 3.65Å; F452-W456 HydrophobicContact CB-CE3 3.55Å; F452-W456 HydrophobicContact CB-CG 4.08Å; F452-W456 HydrophobicContact CB-CH2 4.46Å; F452-W456 HydrophobicContact CB-CZ3 3.98Å; F452-W456 HydrophobicContact CD1-CE3 4.21Å; F452-W456 HydrophobicContact CD2-CB 3.64Å; F452-W456 HydrophobicContact CD2-CD2 4.38Å; F452-W456 HydrophobicContact CD2-CE3 4.36Å; F452-W456 HydrophobicContact CD2-CG 4.11Å; F452-W456 HydrophobicContact CE2-CB 4.19Å; F452-W456 HydrophobicContact CG-CB 4.22Å; F452-W456 HydrophobicContact CG-CD2 4.08Å; F452-W456 AromaticContact CG-CE3 3.77Å; F452-W456 HydrophobicContact CG-CE3 3.77Å; F452-W456 HydrophobicContact CG-CG 4.29Å; F452-W456 HydrophobicContact CG-CZ3 4.47Å; P453-W456 WeakPolarHBondContact O-CB 3.38Å; P453-W456 PolarHBondContact O-N 2.85Å; K454-W456 VanDerWaalsContact C-N 3.26Å; W456-D460 WeakPolarHBondContact CA-OD2 3.38Å; W456-D460 HydrophobicContact CB-CB 4.44Å; W456-D460 HydrophobicContact CD2-CB 4.08Å; W456-D460 HydrophobicContact CE3-CB 4.01Å; W456-D460 HydrophobicContact CG-CB 4.3Å; W456-L461 HydrophobicContact CE3-CD2 4.04Å; W456-L461 HydrophobicContact CZ3-CD2 4.13Å; W456-L464 HydrophobicContact CH2-CD2 4.12Å; W456-L464 HydrophobicContact CZ3-CD2 3.84Å; W456-Y504 AromaticContact CH2-CD1 3.67Å; W456-Y504 HydrophobicContact CH2-CD1 3.67Å; W456-Y504 HydrophobicContact CH2-CE1 4.49Å; W456-Y504 HydrophobicContact CH2-CG 4.01Å; W456-Y504 HydrophobicContact CZ2-CD1 4.28Å | ||
| 457 | K | 91.3 | Very high | 92 | Very high | 144 Ų | 144 | 59 Ų | 59 | 63% | 0.626 | 31% | 0.309 | S | S | * | . | trans | -114.6 | 170.8 | 176.9 | -62.2 | -178 | -177.8 | 178.8 | 0 | 109.9 | S459 D460 L461 | K457-S459 PolarHBondContact O-N 2.82Å; K457-S459 VanDerWaalsContact O-N 3.15Å; K457-D460 PolarHBondContact N-OD2 2.97Å; K457-D460 WeakPolarHBondContact O-CB 3.42Å; K457-D460 PolarHBondContact O-N 3.37Å; K457-L461 PolarHBondContact O-N 3.01Å | ||
| 458 | T | 89.8 | Confident | 91.8 | Very high | 55 Ų | 55 | 60.2 Ų | 60.2 | 34% | 0.337 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.9 | -32.2 | -179.9 | -45.3 | 0 | 0 | 0 | 0 | 112.2 | D460 L461 Y462 V473 W475 | T458-D460 VanDerWaalsContact C-N 3.28Å; T458-D460 PolarHBondContact O-N 3.01Å; T458-L461 PolarHBondContact O-N 3.23Å; T458-Y462 HydrophobicContact CG2-CD2 3.86Å; T458-Y462 HydrophobicContact CG2-CE2 3.61Å; T458-Y462 VanDerWaalsContact O-CD2 3.25Å; T458-Y462 WeakPolarHBondContact O-CD2 3.37Å; T458-Y462 PolarHBondContact O-N 3.29Å; T458-V473 HydrophobicContact CG2-CB 4.33Å; T458-V473 HydrophobicContact CG2-CG1 4.48Å; T458-V473 HydrophobicContact CG2-CG2 4.4Å; T458-W475 PolarHBondContact OG1-NE1 3.1Å; T458-W475 VanDerWaalsContact OG1-NE1 3.16Å |
| 459 | S | 92.9 | Very high | 91.5 | Very high | 72 Ų | 72 | 62.5 Ų | 62.5 | 50% | 0.503 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.2 | -37 | 174.1 | 50.7 | 0 | 0 | 0 | 0 | 113.2 | K457 L461 Y462 Q463 | K457-S459 PolarHBondContact O-N 2.82Å; K457-S459 VanDerWaalsContact O-N 3.15Å; S459-L461 VanDerWaalsContact C-N 3.35Å; S459-Y462 PolarHBondContact O-N 3.47Å; S459-Q463 WeakPolarHBondContact O-CB 3.39Å; S459-Q463 PolarHBondContact O-N 2.79Å |
| 460 | D | 93.9 | Very high | 91.2 | Very high | 53 Ų | 53 | 66.2 Ų | 66.2 | 28% | 0.283 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.8 | -37.6 | -178.7 | -55.3 | -49 | 0 | 0 | 0 | 110.4 | W456 K457 T458 Q463 L464 | W456-D460 WeakPolarHBondContact CA-OD2 3.38Å; W456-D460 HydrophobicContact CB-CB 4.44Å; W456-D460 HydrophobicContact CD2-CB 4.08Å; W456-D460 HydrophobicContact CE3-CB 4.01Å; W456-D460 HydrophobicContact CG-CB 4.3Å; K457-D460 PolarHBondContact N-OD2 2.97Å; K457-D460 WeakPolarHBondContact O-CB 3.42Å; K457-D460 PolarHBondContact O-N 3.37Å; T458-D460 VanDerWaalsContact C-N 3.28Å; T458-D460 PolarHBondContact O-N 3.01Å; D460-Q463 PolarHBondContact O-N 3.38Å; D460-L464 VanDerWaalsContact O-CB 3.28Å; D460-L464 WeakPolarHBondContact O-CB 3.5Å; D460-L464 PolarHBondContact O-N 2.88Å |
| 461 | L | 91.9 | Very high | 91 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.7 | -43.9 | 172.8 | -66.2 | 173.7 | 0 | 0 | 0 | 111.8 | V450 F452 W456 K457 T458 S459 Q463 L464 F465 V473 W475 A481 | V450-L461 HydrophobicContact CG1-CD2 4.4Å; F452-L461 HydrophobicContact CD1-CD2 3.85Å; F452-L461 HydrophobicContact CE1-CD1 4Å; F452-L461 HydrophobicContact CE1-CD2 3.84Å; F452-L461 HydrophobicContact CE1-CG 4.41Å; F452-L461 HydrophobicContact CZ-CD1 4.22Å; W456-L461 HydrophobicContact CE3-CD2 4.04Å; W456-L461 HydrophobicContact CZ3-CD2 4.13Å; K457-L461 PolarHBondContact O-N 3.01Å; T458-L461 PolarHBondContact O-N 3.23Å; S459-L461 VanDerWaalsContact C-N 3.35Å; L461-Q463 VanDerWaalsContact C-N 3.29Å; L461-Q463 PolarHBondContact O-N 3.04Å; L461-L464 PolarHBondContact O-N 2.87Å; L461-F465 WeakPolarHBondContact O-CD2 3.32Å; L461-F465 PolarHBondContact O-N 3.15Å; L461-V473 HydrophobicContact CB-CG2 4.15Å; L461-V473 HydrophobicContact CD1-CG1 3.55Å; L461-V473 HydrophobicContact CD1-CG2 4.37Å; L461-W475 HydrophobicContact CD1-CH2 4.08Å; L461-W475 HydrophobicContact CD1-CZ2 3.83Å; L461-A481 HydrophobicContact CD1-CB 4.03Å |
| 462 | Y | 91.5 | Very high | 90.6 | Very high | 108 Ų | 108 | 69.9 Ų | 69.9 | 42% | 0.424 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.8 | -39.6 | 173.6 | -84.1 | -70.9 | 0 | 0 | 0 | 112.4 | T458 S459 S466 I471 | T458-Y462 HydrophobicContact CG2-CD2 3.86Å; T458-Y462 HydrophobicContact CG2-CE2 3.61Å; T458-Y462 VanDerWaalsContact O-CD2 3.25Å; T458-Y462 WeakPolarHBondContact O-CD2 3.37Å; T458-Y462 PolarHBondContact O-N 3.29Å; S459-Y462 PolarHBondContact O-N 3.47Å; Y462-S466 WeakPolarHBondContact O-CA 3.4Å; Y462-S466 WeakPolarHBondContact O-CB 3.46Å; Y462-S466 PolarHBondContact O-N 2.8Å; Y462-I471 HydrophobicContact CD1-CD1 3.84Å; Y462-I471 HydrophobicContact CD1-CG1 3.55Å; Y462-I471 HydrophobicContact CE1-CD1 4.2Å; Y462-I471 HydrophobicContact CE1-CG1 3.49Å; Y462-I471 VanDerWaalsContact CE1-CG1 3.49Å; Y462-I471 HydrophobicContact CG-CD1 4.24Å; Y462-I471 HydrophobicContact CG-CG1 4.4Å |
| 463 | Q | 91.4 | Very high | 90.2 | Very high | 142 Ų | 142 | 70.8 Ų | 70.8 | 66% | 0.664 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -66.7 | -45.1 | 176.6 | -175.6 | 174.1 | -6 | 0 | 0 | 111.3 | S459 D460 L461 F465 S466 | S459-Q463 WeakPolarHBondContact O-CB 3.39Å; S459-Q463 PolarHBondContact O-N 2.79Å; D460-Q463 PolarHBondContact O-N 3.38Å; L461-Q463 VanDerWaalsContact C-N 3.29Å; L461-Q463 PolarHBondContact O-N 3.04Å; Q463-F465 VanDerWaalsContact C-N 3.33Å; Q463-F465 PolarHBondContact O-N 2.96Å; Q463-S466 WeakPolarHBondContact O-CB 3.47Å; Q463-S466 PolarHBondContact O-N 2.92Å; Q463-S466 PolarHBondContact O-OG 3.02Å |
| 464 | L | 91.1 | Very high | 89.7 | Confident | 44 Ų | 44 | 69.9 Ų | 69.9 | 23% | 0.23 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -57.8 | -44.8 | 179.3 | 175.4 | 60.2 | 0 | 0 | 0 | 111.9 | W456 D460 L461 Y504 | W456-L464 HydrophobicContact CH2-CD2 4.12Å; W456-L464 HydrophobicContact CZ3-CD2 3.84Å; D460-L464 VanDerWaalsContact O-CB 3.28Å; D460-L464 WeakPolarHBondContact O-CB 3.5Å; D460-L464 PolarHBondContact O-N 2.88Å; L461-L464 PolarHBondContact O-N 2.87Å; L464-Y504 HydrophobicContact CD1-CE1 3.72Å; L464-Y504 HydrophobicContact CD1-CE2 4.1Å; L464-Y504 WeakPolarHBondContact CD1-OH 3.46Å; L464-Y504 HydrophobicContact CD2-CD1 4.35Å; L464-Y504 HydrophobicContact CD2-CD2 3.97Å; L464-Y504 HydrophobicContact CD2-CE1 4.29Å; L464-Y504 HydrophobicContact CD2-CE2 3.91Å; L464-Y504 HydrophobicContact CD2-CG 4.21Å |
| 465 | F | 91.6 | Very high | 89.3 | Confident | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.009 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 11.7 | -177.6 | -66.3 | -89.3 | 0 | 0 | 0 | 114.1 | L448 V450 L461 Q463 A467 F468 I471 V483 L485 A494 I506 | L448-F465 HydrophobicContact CD1-CE1 3.69Å; L448-F465 HydrophobicContact CD1-CZ 4.3Å; V450-F465 HydrophobicContact CG2-CE2 3.99Å; V450-F465 HydrophobicContact CG2-CZ 3.71Å; L461-F465 WeakPolarHBondContact O-CD2 3.32Å; L461-F465 PolarHBondContact O-N 3.15Å; Q463-F465 VanDerWaalsContact C-N 3.33Å; Q463-F465 PolarHBondContact O-N 2.96Å; F465-A467 PolarHBondContact O-N 2.81Å; F465-F468 HydrophobicContact CB-CD2 4.05Å; F465-F468 AromaticContact CD1-CD2 3.71Å; F465-F468 HydrophobicContact CD1-CD2 3.71Å; F465-F468 HydrophobicContact CD1-CE2 4.06Å; F465-F468 HydrophobicContact CG-CD2 4.34Å; F465-F468 WeakPolarHBondContact O-CB 3.39Å; F465-F468 PolarHBondContact O-N 3.31Å; F465-I471 HydrophobicContact CB-CD1 3.88Å; F465-I471 HydrophobicContact CB-CG2 3.71Å; F465-I471 HydrophobicContact CD2-CD1 4.28Å; F465-I471 HydrophobicContact CG-CD1 4.41Å; F465-I471 HydrophobicContact CG-CG2 4.49Å; F465-V483 HydrophobicContact CD1-CG1 4.28Å; F465-V483 HydrophobicContact CD2-CG1 3.93Å; F465-V483 HydrophobicContact CD2-CG2 4.35Å; F465-V483 HydrophobicContact CE1-CG1 4.33Å; F465-V483 HydrophobicContact CE2-CB 4.21Å; F465-V483 HydrophobicContact CE2-CG1 4Å; F465-V483 HydrophobicContact CE2-CG2 3.86Å; F465-V483 HydrophobicContact CG-CG1 4.08Å; F465-V483 HydrophobicContact CZ-CB 4.29Å; F465-V483 HydrophobicContact CZ-CG1 4.19Å; F465-V483 HydrophobicContact CZ-CG2 4.33Å; F465-L485 HydrophobicContact CD1-CD2 3.84Å; F465-L485 HydrophobicContact CE1-CD2 4.38Å; F465-A494 HydrophobicContact CE1-CB 4.16Å; F465-I506 HydrophobicContact CE1-CD1 3.79Å; F465-I506 HydrophobicContact CZ-CD1 3.52Å; F465-I506 HydrophobicContact CZ-CG1 4.32Å |
| 466 | S | 90.1 | Very high | 88.7 | Confident | 83 Ų | 83 | 64.3 Ų | 64.3 | 58% | 0.58 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -55.4 | -29.3 | -177.9 | 57.2 | 0 | 0 | 0 | 0 | 113.9 | Y462 Q463 F468 G469 | Y462-S466 WeakPolarHBondContact O-CA 3.4Å; Y462-S466 WeakPolarHBondContact O-CB 3.46Å; Y462-S466 PolarHBondContact O-N 2.8Å; Q463-S466 WeakPolarHBondContact O-CB 3.47Å; Q463-S466 PolarHBondContact O-N 2.92Å; Q463-S466 PolarHBondContact O-OG 3.02Å; S466-F468 PolarHBondContact O-N 2.74Å; S466-G469 PolarHBondContact O-N 3.01Å |
| 467 | A | 86.6 | Confident | 88.3 | Confident | 86 Ų | 86 | 65.2 Ų | 65.2 | 71% | 0.711 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -67.4 | -16.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | F465 | F465-A467 PolarHBondContact O-N 2.81Š|
| 468 | F | 86.3 | Confident | 88.1 | Confident | 25 Ų | 25 | 63.4 Ų | 63.4 | 11% | 0.11 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -104 | 10 | -175.7 | -54.2 | -68.3 | 0 | 0 | 0 | 112.8 | F465 S466 L485 Q490 I493 A494 | F465-F468 HydrophobicContact CB-CD2 4.05Å; F465-F468 AromaticContact CD1-CD2 3.71Å; F465-F468 HydrophobicContact CD1-CD2 3.71Å; F465-F468 HydrophobicContact CD1-CE2 4.06Å; F465-F468 HydrophobicContact CG-CD2 4.34Å; F465-F468 WeakPolarHBondContact O-CB 3.39Å; F465-F468 PolarHBondContact O-N 3.31Å; S466-F468 PolarHBondContact O-N 2.74Å; F468-L485 HydrophobicContact CB-CD2 4.09Å; F468-Q490 VanDerWaalsContact CB-OE1 3.23Å; F468-Q490 HydrophobicContact CD1-CB 3.78Å; F468-Q490 HydrophobicContact CD1-CG 4.28Å; F468-Q490 HydrophobicContact CE1-CB 4.36Å; F468-Q490 PolarHBondContact O-OE1 2.95Å; F468-I493 HydrophobicContact CE1-CB 4.04Å; F468-I493 HydrophobicContact CE1-CG2 3.87Å; F468-I493 HydrophobicContact CZ-CG2 4.2Å; F468-A494 HydrophobicContact CE1-CB 4.33Å; F468-A494 HydrophobicContact CE2-CB 3.93Å; F468-A494 HydrophobicContact CZ-CB 3.76Å |
| 469 | G | 84.9 | Confident | 88.2 | Confident | 48 Ų | 48 | 63.4 Ų | 63.4 | 50% | 0.495 | 36% | 0.356 | S | S | . | . | trans | 79.5 | -148.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S466 | S466-G469 PolarHBondContact O-N 3.01Š| ||
| 470 | N | 86.1 | Confident | 88.2 | Confident | 115 Ų | 115 | 60 Ų | 60 | 62% | 0.615 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -73.1 | 135.5 | -178.8 | -162.9 | 29.5 | 0 | 0 | 0 | 110.3 | S486 | N470-S486 PolarHBondContact O-OG 3.02Š|
| 471 | I | 89 | Confident | 88 | Confident | 3 Ų | 3 | 57.5 Ų | 57.5 | 2% | 0.015 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 156.4 | 178.6 | 66.1 | 177.3 | 0 | 0 | 0 | 109.9 | Y462 F465 V473 V483 S484 L485 | Y462-I471 HydrophobicContact CD1-CD1 3.84Å; Y462-I471 HydrophobicContact CD1-CG1 3.55Å; Y462-I471 HydrophobicContact CE1-CD1 4.2Å; Y462-I471 HydrophobicContact CE1-CG1 3.49Å; Y462-I471 VanDerWaalsContact CE1-CG1 3.49Å; Y462-I471 HydrophobicContact CG-CD1 4.24Å; Y462-I471 HydrophobicContact CG-CG1 4.4Å; F465-I471 HydrophobicContact CB-CD1 3.88Å; F465-I471 HydrophobicContact CB-CG2 3.71Å; F465-I471 HydrophobicContact CD2-CD1 4.28Å; F465-I471 HydrophobicContact CG-CD1 4.41Å; F465-I471 HydrophobicContact CG-CG2 4.49Å; I471-V473 HydrophobicContact CD1-CG2 3.76Å; I471-V473 HydrophobicContact CG1-CG2 4.13Å; I471-V483 HydrophobicContact CB-CG1 4.01Å; I471-V483 HydrophobicContact CD1-CG1 4.05Å; I471-V483 HydrophobicContact CG2-CG1 4.19Å; I471-S484 WeakPolarHBondContact CA-O 3.34Å; I471-L485 HydrophobicContact CG2-CD2 3.92Å |
| 472 | Q | 85.6 | Confident | 88 | Confident | 116 Ų | 116 | 57.9 Ų | 57.9 | 54% | 0.542 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 124.9 | 164.4 | -62.4 | -175.5 | 1 | 0 | 0 | 109.3 | V483 S484 | Q472-V483 WeakPolarHBondContact O-CA 3.46Å; Q472-S484 PolarHBondContact N-O 3.39Å; Q472-S484 VanDerWaalsContact N-O 3.09Å; Q472-S484 PolarHBondContact O-N 3.47Å |
| 473 | V | 86.2 | Confident | 87.9 | Confident | 30 Ų | 30 | 52.8 Ų | 52.8 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 125.9 | 178.4 | -179.2 | 0 | 0 | 0 | 0 | 109.1 | T458 L461 I471 A481 F482 | T458-V473 HydrophobicContact CG2-CB 4.33Å; T458-V473 HydrophobicContact CG2-CG1 4.48Å; T458-V473 HydrophobicContact CG2-CG2 4.4Å; L461-V473 HydrophobicContact CB-CG2 4.15Å; L461-V473 HydrophobicContact CD1-CG1 3.55Å; L461-V473 HydrophobicContact CD1-CG2 4.37Å; I471-V473 HydrophobicContact CD1-CG2 3.76Å; I471-V473 HydrophobicContact CG1-CG2 4.13Å; V473-A481 HydrophobicContact CG1-CB 4.09Å; V473-F482 WeakPolarHBondContact CA-O 3.27Å |
| 474 | S | 85 | Confident | 87.8 | Confident | 25 Ų | 25 | 46.5 Ų | 46.5 | 18% | 0.175 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 106.4 | 172.9 | -171.2 | 0 | 0 | 0 | 0 | 110.1 | N45 A481 F482 | N45-S474 PolarHBondContact ND2-OG 3.29Å; N45-S474 PolarHBondContact OD1-OG 3.03Å; S474-A481 CarbonylContact O-C 3.56Å; S474-A481 WeakPolarHBondContact O-CA 3.37Å; S474-F482 PolarHBondContact N-O 3.32Å; S474-F482 PolarHBondContact O-N 2.97Å |
| 475 | W | 83.4 | Confident | 87.7 | Confident | 83 Ų | 83 | 44.7 Ų | 44.7 | 31% | 0.314 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 139.3 | -178.1 | -70.3 | 91 | 0 | 0 | 0 | 111.8 | N45 F452 T458 L461 D477 A481 | N45-W475 PolarHBondContact ND2-O 3.33Å; F452-W475 HydrophobicContact CE2-CE3 4.41Å; F452-W475 AromaticContact CE2-CH2 3.82Å; F452-W475 HydrophobicContact CE2-CH2 3.82Å; F452-W475 AromaticContact CE2-CZ3 3.41Å; F452-W475 HydrophobicContact CE2-CZ3 3.41Å; F452-W475 VanDerWaalsContact CE2-CZ3 3.41Å; F452-W475 AromaticContact CZ-CE3 3.96Å; F452-W475 HydrophobicContact CZ-CE3 3.96Å; F452-W475 AromaticContact CZ-CH2 3.74Å; F452-W475 HydrophobicContact CZ-CH2 3.74Å; F452-W475 AromaticContact CZ-CZ3 3.28Å; F452-W475 HydrophobicContact CZ-CZ3 3.28Å; T458-W475 PolarHBondContact OG1-NE1 3.1Å; T458-W475 VanDerWaalsContact OG1-NE1 3.16Å; L461-W475 HydrophobicContact CD1-CH2 4.08Å; L461-W475 HydrophobicContact CD1-CZ2 3.83Å; W475-D477 VanDerWaalsContact CE3-O 3.32Å; W475-A481 HydrophobicContact CD2-CB 4.37Å; W475-A481 HydrophobicContact CE3-CB 4.3Å |
| 476 | I | 82.8 | Confident | 87.4 | Confident | 64 Ų | 64 | 48.6 Ų | 48.6 | 33% | 0.328 | 29% | 0.29 | S | S | . | . | trans | -104.4 | -52.4 | 174.6 | -59.6 | 166.1 | 0 | 0 | 0 | 108.6 | Y449 S480 F482 | Y449-I476 HydrophobicContact CD2-CD1 3.51Å; Y449-I476 HydrophobicContact CE2-CD1 3.46Å; Y449-I476 VanDerWaalsContact CE2-CD1 3.46Å; I476-S480 PolarHBondContact N-O 3Å; I476-F482 HydrophobicContact CD1-CD1 4.09Å; I476-F482 HydrophobicContact CD1-CD2 3.64Å; I476-F482 HydrophobicContact CD1-CE1 3.93Å; I476-F482 HydrophobicContact CD1-CE2 3.46Å; I476-F482 VanDerWaalsContact CD1-CE2 3.46Å; I476-F482 HydrophobicContact CD1-CG 3.95Å; I476-F482 HydrophobicContact CD1-CZ 3.61Å; I476-F482 HydrophobicContact CG1-CD2 3.77Å; I476-F482 HydrophobicContact CG1-CE2 3.77Å; I476-F482 HydrophobicContact CG1-CG 4.41Å; I476-F482 HydrophobicContact CG1-CZ 4.4Å | ||
| 477 | D | 83.2 | Confident | 87 | Confident | 71 Ų | 71 | 49.6 Ų | 49.6 | 38% | 0.38 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -149.3 | -168 | 174.5 | 57.9 | 45.3 | 0 | 0 | 0 | 110.7 | W475 T479 S480 | W475-D477 VanDerWaalsContact CE3-O 3.32Å; D477-T479 PolarHBondContact O-N 2.92Å; D477-T479 WeakPolarHBondContact OD1-CA 3.36Å; D477-T479 PolarHBondContact OD1-N 2.91Å; D477-T479 PolarHBondContact OD1-OG1 3.16Å; D477-S480 PolarHBondContact N-O 3.33Å; D477-S480 PolarHBondContact OD1-N 3.1Å; D477-S480 PolarHBondContact OD1-OG 3.3Å; D477-S480 PolarHBondContact OD2-OG 3.31Å; D477-S480 VanDerWaalsContact OD2-OG 3.04Å |
| 478 | D | 86.8 | Confident | 86.8 | Confident | 106 Ų | 106 | 49.1 Ų | 49.1 | 57% | 0.567 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -70.9 | -11 | -179.8 | 60.6 | -24.2 | 0 | 0 | 0 | 114 | K454 | K454-D478 WeakPolarHBondContact CA-O 3.43Š|
| 479 | T | 91.8 | Very high | 86.7 | Confident | 56 Ų | 56 | 53.3 Ų | 53.3 | 34% | 0.344 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -123 | -0.5 | -177.1 | 62.1 | 0 | 0 | 0 | 0 | 114 | T451 F452 K454 D477 | T451-T479 CarbonylContact C-O 3.58Å; T451-T479 VanDerWaalsContact CA-O 3.27Å; T451-T479 WeakPolarHBondContact CA-O 3.26Å; F452-T479 PolarHBondContact N-O 2.83Å; F452-T479 WeakPolarHBondContact O-CA 3.42Å; K454-T479 HydrophobicContact CB-CG2 4Å; D477-T479 PolarHBondContact O-N 2.92Å; D477-T479 WeakPolarHBondContact OD1-CA 3.36Å; D477-T479 PolarHBondContact OD1-N 2.91Å; D477-T479 PolarHBondContact OD1-OG1 3.16Å |
| 480 | S | 92.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 147.1 | -176.5 | 69.5 | 0 | 0 | 0 | 0 | 114.2 | V450 I476 D477 | V450-S480 VanDerWaalsContact O-CA 3.23Å; V450-S480 WeakPolarHBondContact O-CA 3.28Å; I476-S480 PolarHBondContact N-O 3Å; D477-S480 PolarHBondContact N-O 3.33Å; D477-S480 PolarHBondContact OD1-N 3.1Å; D477-S480 PolarHBondContact OD1-OG 3.3Å; D477-S480 PolarHBondContact OD2-OG 3.31Å; D477-S480 VanDerWaalsContact OD2-OG 3.04Å |
| 481 | A | 90.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 153 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V450 F452 L461 V473 S474 W475 | V450-A481 PolarHBondContact N-O 2.99Å; V450-A481 PolarHBondContact O-N 3.5Å; F452-A481 HydrophobicContact CE1-CB 3.89Å; F452-A481 HydrophobicContact CZ-CB 3.99Å; L461-A481 HydrophobicContact CD1-CB 4.03Å; V473-A481 HydrophobicContact CG1-CB 4.09Å; S474-A481 CarbonylContact O-C 3.56Å; S474-A481 WeakPolarHBondContact O-CA 3.37Å; W475-A481 HydrophobicContact CD2-CB 4.37Å; W475-A481 HydrophobicContact CE3-CB 4.3Å |
| 482 | F | 91.2 | Very high | 86.6 | Confident | 9 Ų | 9 | 52.9 Ų | 52.9 | 4% | 0.039 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 135.9 | 162.1 | -66.1 | -58.6 | 0 | 0 | 0 | 110.5 | L47 V447 L448 Y449 V473 S474 I476 Y509 Y512 | L47-F482 HydrophobicContact CB-CD2 4.2Å; L47-F482 HydrophobicContact CD1-CB 3.48Å; L47-F482 VanDerWaalsContact CD1-CB 3.48Å; L47-F482 HydrophobicContact CD1-CD2 4.06Å; L47-F482 HydrophobicContact CD1-CG 3.97Å; V447-F482 HydrophobicContact CG1-CB 4.02Å; V447-F482 HydrophobicContact CG1-CD1 4.1Å; V447-F482 HydrophobicContact CG1-CG 4.29Å; L448-F482 CarbonylContact O-C 3.59Å; L448-F482 VanDerWaalsContact O-CA 3.26Å; L448-F482 WeakPolarHBondContact O-CA 3.5Å; Y449-F482 HydrophobicContact CD2-CD1 4.21Å; Y449-F482 AromaticContact CD2-CE1 3.81Å; Y449-F482 HydrophobicContact CD2-CE1 3.81Å; Y449-F482 HydrophobicContact CD2-CZ 4.42Å; Y449-F482 HydrophobicContact CG-CE1 4.41Å; V473-F482 WeakPolarHBondContact CA-O 3.27Å; S474-F482 PolarHBondContact N-O 3.32Å; S474-F482 PolarHBondContact O-N 2.97Å; I476-F482 HydrophobicContact CD1-CD1 4.09Å; I476-F482 HydrophobicContact CD1-CD2 3.64Å; I476-F482 HydrophobicContact CD1-CE1 3.93Å; I476-F482 HydrophobicContact CD1-CE2 3.46Å; I476-F482 VanDerWaalsContact CD1-CE2 3.46Å; I476-F482 HydrophobicContact CD1-CG 3.95Å; I476-F482 HydrophobicContact CD1-CZ 3.61Å; I476-F482 HydrophobicContact CG1-CD2 3.77Å; I476-F482 HydrophobicContact CG1-CE2 3.77Å; I476-F482 HydrophobicContact CG1-CG 4.41Å; I476-F482 HydrophobicContact CG1-CZ 4.4Å; F482-Y509 HydrophobicContact CD1-CD2 4.15Å; F482-Y509 AromaticContact CE1-CD2 3.7Å; F482-Y509 HydrophobicContact CE1-CD2 3.7Å; F482-Y509 AromaticContact CE1-CE2 3.94Å; F482-Y509 HydrophobicContact CE1-CE2 3.94Å; F482-Y509 HydrophobicContact CZ-CD2 4.21Å; F482-Y509 AromaticContact CZ-CE2 3.96Å; F482-Y509 HydrophobicContact CZ-CE2 3.96Å; F482-Y512 AromaticContact CE1-CD1 3.89Å; F482-Y512 HydrophobicContact CE1-CD1 3.89Å; F482-Y512 HydrophobicContact CE1-CE1 4.05Å; F482-Y512 HydrophobicContact CE1-CG 4.38Å; F482-Y512 AromaticContact CZ-CD1 3.91Å; F482-Y512 HydrophobicContact CZ-CD1 3.91Å; F482-Y512 AromaticContact CZ-CE1 3.59Å; F482-Y512 HydrophobicContact CZ-CE1 3.59Å |
| 483 | V | 90.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 117.5 | 175.3 | 179.6 | 0 | 0 | 0 | 0 | 108.5 | L448 V450 F465 I471 Q472 L485 | L448-V483 PolarHBondContact N-O 2.77Å; L448-V483 PolarHBondContact O-N 3.5Å; V450-V483 HydrophobicContact CG2-CB 4.2Å; V450-V483 HydrophobicContact CG2-CG2 3.71Å; F465-V483 HydrophobicContact CD1-CG1 4.28Å; F465-V483 HydrophobicContact CD2-CG1 3.93Å; F465-V483 HydrophobicContact CD2-CG2 4.35Å; F465-V483 HydrophobicContact CE1-CG1 4.33Å; F465-V483 HydrophobicContact CE2-CB 4.21Å; F465-V483 HydrophobicContact CE2-CG1 4Å; F465-V483 HydrophobicContact CE2-CG2 3.86Å; F465-V483 HydrophobicContact CG-CG1 4.08Å; F465-V483 HydrophobicContact CZ-CB 4.29Å; F465-V483 HydrophobicContact CZ-CG1 4.19Å; F465-V483 HydrophobicContact CZ-CG2 4.33Å; I471-V483 HydrophobicContact CB-CG1 4.01Å; I471-V483 HydrophobicContact CD1-CG1 4.05Å; I471-V483 HydrophobicContact CG2-CG1 4.19Å; Q472-V483 WeakPolarHBondContact O-CA 3.46Å; V483-L485 HydrophobicContact CG1-CD2 4.23Å |
| 484 | S | 89.5 | Confident | 86.7 | Confident | 11 Ų | 11 | 50.4 Ų | 50.4 | 8% | 0.077 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 122.1 | 176.3 | -51.2 | 0 | 0 | 0 | 0 | 109.5 | I471 Q472 | I471-S484 WeakPolarHBondContact CA-O 3.34Å; Q472-S484 PolarHBondContact N-O 3.39Å; Q472-S484 VanDerWaalsContact N-O 3.09Å; Q472-S484 PolarHBondContact O-N 3.47Å |
| 485 | L | 89.2 | Confident | 86.8 | Confident | 6 Ų | 6 | 50.7 Ų | 50.7 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 151.9 | 176.1 | -58.4 | -173.5 | 0 | 0 | 0 | 111 | H446 L448 F465 F468 I471 V483 Q487 Q490 V491 A494 | H446-L485 PolarHBondContact O-N 3.45Å; L448-L485 HydrophobicContact CD1-CD1 3.77Å; L448-L485 HydrophobicContact CD1-CD2 4.4Å; L448-L485 HydrophobicContact CD1-CG 4.04Å; F465-L485 HydrophobicContact CD1-CD2 3.84Å; F465-L485 HydrophobicContact CE1-CD2 4.38Å; F468-L485 HydrophobicContact CB-CD2 4.09Å; I471-L485 HydrophobicContact CG2-CD2 3.92Å; V483-L485 HydrophobicContact CG1-CD2 4.23Å; L485-Q487 VanDerWaalsContact C-N 3.33Å; L485-Q490 HydrophobicContact CD1-CB 4.19Å; L485-V491 HydrophobicContact CD1-CG2 3.99Å; L485-A494 HydrophobicContact CD1-CB 4.39Å |
| 486 | S | 84.2 | Confident | 86.9 | Confident | 84 Ų | 84 | 49.8 Ų | 49.8 | 59% | 0.587 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -70.4 | -27.5 | 178 | -70.7 | 0 | 0 | 0 | 0 | 113.3 | N470 | N470-S486 PolarHBondContact O-OG 3.02Š|
| 487 | Q | 82.1 | Confident | 87 | Confident | 104 Ų | 104 | 50.3 Ų | 50.3 | 49% | 0.486 | 28% | 0.275 | S | S | . | . | trans | -132.7 | 133.4 | -180 | -56.5 | -169.9 | -20.9 | 0 | 0 | 111.2 | L485 D489 Q490 | L485-Q487 VanDerWaalsContact C-N 3.33Å; Q487-D489 VanDerWaalsContact C-N 3.33Å; Q487-D489 WeakPolarHBondContact CB-OD1 3.1Å; Q487-D489 PolarHBondContact O-N 3.46Å; Q487-Q490 HydrophobicContact CB-CG 4.24Å; Q487-Q490 PolarHBondContact O-N 3.02Å | ||
| 488 | T | 82.3 | Confident | 87.1 | Confident | 76 Ų | 76 | 47.5 Ų | 47.5 | 47% | 0.466 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -69 | -28.8 | -175.1 | -45 | 0 | 0 | 0 | 0 | 113.2 | D445 Q490 V491 | D445-T488 HydrophobicContact CB-CG2 3.65Å; T488-Q490 PolarHBondContact O-N 3.48Å; T488-V491 VanDerWaalsContact O-CB 3.31Å; T488-V491 WeakPolarHBondContact O-CB 3.38Å; T488-V491 WeakPolarHBondContact O-CG2 3.13Å; T488-V491 PolarHBondContact O-N 2.93Å |
| 489 | D | 84.6 | Confident | 87 | Confident | 112 Ų | 112 | 51.1 Ų | 51.1 | 60% | 0.599 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -67.5 | -21 | 178.9 | 61.8 | -22.2 | 0 | 0 | 0 | 113.3 | Q487 | Q487-D489 VanDerWaalsContact C-N 3.33Å; Q487-D489 WeakPolarHBondContact CB-OD1 3.1Å; Q487-D489 PolarHBondContact O-N 3.46Å |
| 490 | Q | 86 | Confident | 86.5 | Confident | 38 Ų | 38 | 58.3 Ų | 58.3 | 18% | 0.178 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -80.5 | -16.7 | 178.7 | -64.2 | -177.9 | 8.7 | 0 | 0 | 113.8 | F468 L485 Q487 T488 Q492 I493 A494 | F468-Q490 VanDerWaalsContact CB-OE1 3.23Å; F468-Q490 HydrophobicContact CD1-CB 3.78Å; F468-Q490 HydrophobicContact CD1-CG 4.28Å; F468-Q490 HydrophobicContact CE1-CB 4.36Å; F468-Q490 PolarHBondContact O-OE1 2.95Å; L485-Q490 HydrophobicContact CD1-CB 4.19Å; Q487-Q490 HydrophobicContact CB-CG 4.24Å; Q487-Q490 PolarHBondContact O-N 3.02Å; T488-Q490 PolarHBondContact O-N 3.48Å; Q490-Q492 VanDerWaalsContact C-N 3.32Å; Q490-Q492 PolarHBondContact O-N 3.45Å; Q490-I493 WeakPolarHBondContact O-CB 3.21Å; Q490-I493 PolarHBondContact O-N 3.29Å; Q490-I493 VanDerWaalsContact O-N 3.09Å; Q490-A494 PolarHBondContact O-N 2.88Å |
| 491 | V | 86.3 | Confident | 86.2 | Confident | 12 Ų | 12 | 59.6 Ų | 59.6 | 7% | 0.073 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.3 | -45.4 | -179.2 | 173.1 | 0 | 0 | 0 | 0 | 111 | D445 L448 L485 T488 I493 A494 M495 | D445-V491 VanDerWaalsContact O-CG2 3.31Å; D445-V491 WeakPolarHBondContact O-CG2 3.49Å; L448-V491 HydrophobicContact CD2-CG1 3.7Å; L485-V491 HydrophobicContact CD1-CG2 3.99Å; T488-V491 VanDerWaalsContact O-CB 3.31Å; T488-V491 WeakPolarHBondContact O-CB 3.38Å; T488-V491 WeakPolarHBondContact O-CG2 3.13Å; T488-V491 PolarHBondContact O-N 2.93Å; V491-I493 VanDerWaalsContact C-N 3.27Å; V491-I493 PolarHBondContact O-N 2.76Å; V491-A494 PolarHBondContact O-N 3.05Å; V491-M495 WeakPolarHBondContact O-CB 3.31Å; V491-M495 VanDerWaalsContact O-CG 3.29Å; V491-M495 WeakPolarHBondContact O-CG 3.31Å; V491-M495 PolarHBondContact O-N 2.81Å |
| 492 | Q | 85.9 | Confident | 85.8 | Confident | 108 Ų | 108 | 69.3 Ų | 69.3 | 51% | 0.505 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.1 | -32.8 | -179.8 | -169.7 | 60.2 | 57.2 | 0 | 0 | 112.1 | Q490 N496 | Q490-Q492 VanDerWaalsContact C-N 3.32Å; Q490-Q492 PolarHBondContact O-N 3.45Å; Q492-N496 PolarHBondContact NE2-OD1 2.97Å; Q492-N496 VanDerWaalsContact NE2-OD1 3.17Å; Q492-N496 WeakPolarHBondContact O-CB 3.43Å; Q492-N496 PolarHBondContact O-N 2.89Å; Q492-N496 PolarHBondContact O-ND2 2.85Å |
| 493 | I | 86 | Confident | 85.6 | Confident | 93 Ų | 93 | 72.2 Ų | 72.2 | 48% | 0.477 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.6 | -48.8 | 177.5 | -57.1 | 175.2 | 0 | 0 | 0 | 109.2 | F468 Q490 V491 M495 N496 T497 | F468-I493 HydrophobicContact CE1-CB 4.04Å; F468-I493 HydrophobicContact CE1-CG2 3.87Å; F468-I493 HydrophobicContact CZ-CG2 4.2Å; Q490-I493 WeakPolarHBondContact O-CB 3.21Å; Q490-I493 PolarHBondContact O-N 3.29Å; Q490-I493 VanDerWaalsContact O-N 3.09Å; V491-I493 VanDerWaalsContact C-N 3.27Å; V491-I493 PolarHBondContact O-N 2.76Å; I493-M495 VanDerWaalsContact C-N 3.32Å; I493-M495 PolarHBondContact O-N 3.29Å; I493-N496 PolarHBondContact O-N 3.01Å; I493-N496 VanDerWaalsContact O-N 3.12Å; I493-T497 PolarHBondContact O-N 2.91Å; I493-T497 PolarHBondContact O-OG1 3.41Å; I493-T497 VanDerWaalsContact O-OG1 3.1Å |
| 494 | A | 86.7 | Confident | 85.7 | Confident | 1 Ų | 1 | 73.8 Ų | 73.8 | 1% | 0.008 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57.5 | -43.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L448 F465 F468 L485 Q490 V491 N496 T497 S498 | L448-A494 HydrophobicContact CD1-CB 3.81Å; F465-A494 HydrophobicContact CE1-CB 4.16Å; F468-A494 HydrophobicContact CE1-CB 4.33Å; F468-A494 HydrophobicContact CE2-CB 3.93Å; F468-A494 HydrophobicContact CZ-CB 3.76Å; L485-A494 HydrophobicContact CD1-CB 4.39Å; Q490-A494 PolarHBondContact O-N 2.88Å; V491-A494 PolarHBondContact O-N 3.05Å; A494-N496 VanDerWaalsContact C-N 3.35Å; A494-N496 PolarHBondContact O-N 3.41Å; A494-T497 PolarHBondContact O-N 3.38Å; A494-S498 PolarHBondContact O-N 3.04Å; A494-S498 VanDerWaalsContact O-N 3.08Å |
| 495 | M | 87.5 | Confident | 85.8 | Confident | 30 Ų | 30 | 79.3 Ų | 79.3 | 15% | 0.148 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.8 | -37.9 | 175.3 | -75.4 | -69.3 | -66 | 0 | 0 | 113.3 | L448 V491 I493 S498 I506 Q507 T508 | L448-M495 HydrophobicContact CD2-CG 4.16Å; L448-M495 HydrophobicContact CD2-SD 4.19Å; V491-M495 WeakPolarHBondContact O-CB 3.31Å; V491-M495 VanDerWaalsContact O-CG 3.29Å; V491-M495 WeakPolarHBondContact O-CG 3.31Å; V491-M495 PolarHBondContact O-N 2.81Å; I493-M495 VanDerWaalsContact C-N 3.32Å; I493-M495 PolarHBondContact O-N 3.29Å; M495-S498 PolarHBondContact O-OG 3.3Å; M495-I506 HydrophobicContact SD-CB 4.24Å; M495-I506 HydrophobicContact SD-CG2 3.7Å; M495-Q507 VanDerWaalsContact SD-C 3.6Å; M495-Q507 VanDerWaalsContact SD-CA 3.52Å; M495-T508 HydrophobicContact CE-CG2 4.04Å; M495-T508 HydrophobicContact CG-CG2 4.19Å; M495-T508 HydrophobicContact SD-CG2 4.07Å |
| 496 | N | 86.4 | Confident | 86 | Confident | 64 Ų | 64 | 79.5 Ų | 79.5 | 34% | 0.342 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -72.6 | -38.1 | 178 | -71.5 | -17.9 | 0 | 0 | 0 | 111.2 | Q492 I493 A494 R499 Y500 | Q492-N496 PolarHBondContact NE2-OD1 2.97Å; Q492-N496 VanDerWaalsContact NE2-OD1 3.17Å; Q492-N496 WeakPolarHBondContact O-CB 3.43Å; Q492-N496 PolarHBondContact O-N 2.89Å; Q492-N496 PolarHBondContact O-ND2 2.85Å; I493-N496 PolarHBondContact O-N 3.01Å; I493-N496 VanDerWaalsContact O-N 3.12Å; A494-N496 VanDerWaalsContact C-N 3.35Å; A494-N496 PolarHBondContact O-N 3.41Å; N496-R499 WeakPolarHBondContact O-CB 3.48Å; N496-R499 PolarHBondContact O-N 3.31Å; N496-Y500 WeakPolarHBondContact O-CD2 3.48Å; N496-Y500 WeakPolarHBondContact O-CE2 3.42Å |
| 497 | T | 83.6 | Confident | 86.3 | Confident | 75 Ų | 75 | 77.4 Ų | 77.4 | 46% | 0.46 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.7 | -38.7 | 177.6 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | I493 A494 R499 Y500 | I493-T497 PolarHBondContact O-N 2.91Å; I493-T497 PolarHBondContact O-OG1 3.41Å; I493-T497 VanDerWaalsContact O-OG1 3.1Å; A494-T497 PolarHBondContact O-N 3.38Å; T497-R499 PolarHBondContact O-N 3.3Å; T497-Y500 PolarHBondContact O-N 2.84Å |
| 498 | S | 86.4 | Confident | 86.8 | Confident | 12 Ų | 12 | 73.9 Ų | 73.9 | 8% | 0.084 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67 | -19.4 | 179.6 | 68.8 | 0 | 0 | 0 | 0 | 114.2 | A494 M495 Y500 A501 | A494-S498 PolarHBondContact O-N 3.04Å; A494-S498 VanDerWaalsContact O-N 3.08Å; M495-S498 PolarHBondContact O-OG 3.3Å; S498-Y500 PolarHBondContact O-N 2.89Å; S498-Y500 VanDerWaalsContact O-N 3.14Å; S498-A501 PolarHBondContact O-N 3.43Å; S498-A501 VanDerWaalsContact O-N 3.09Å |
| 499 | R | 83.3 | Confident | 87 | Confident | 183 Ų | 183 | 71.6 Ų | 71.6 | 69% | 0.691 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -20.6 | 178.6 | -66.9 | -178.3 | -179 | -171.5 | -0.6 | 113.4 | N496 T497 | N496-R499 WeakPolarHBondContact O-CB 3.48Å; N496-R499 PolarHBondContact O-N 3.31Å; T497-R499 PolarHBondContact O-N 3.3Å |
| 500 | Y | 82.8 | Confident | 87.1 | Confident | 206 Ų | 206 | 69.2 Ų | 69.2 | 81% | 0.808 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -0.5 | -179.5 | -55.5 | -79.3 | 0 | 0 | 0 | 112.8 | N496 T497 S498 | N496-Y500 WeakPolarHBondContact O-CD2 3.48Å; N496-Y500 WeakPolarHBondContact O-CE2 3.42Å; T497-Y500 PolarHBondContact O-N 2.84Å; S498-Y500 PolarHBondContact O-N 2.89Å; S498-Y500 VanDerWaalsContact O-N 3.14Å |
| 501 | A | 84.3 | Confident | 87.2 | Confident | 28 Ų | 28 | 71 Ų | 71 | 23% | 0.231 | 35% | 0.352 | C | S | . | . | trans | -96.5 | 135.8 | 180 | 0 | 0 | 0 | 0 | 0 | 111 | S498 Y504 | S498-A501 PolarHBondContact O-N 3.43Å; S498-A501 VanDerWaalsContact O-N 3.09Å; A501-Y504 HydrophobicContact CB-CD1 3.8Å; A501-Y504 HydrophobicContact CB-CD2 4.47Å; A501-Y504 HydrophobicContact CB-CE1 3.3Å; A501-Y504 HydrophobicContact CB-CE2 4.04Å; A501-Y504 HydrophobicContact CB-CG 4.35Å; A501-Y504 VanDerWaalsContact CB-CZ 3.42Å | ||
| 502 | E | 83.1 | Confident | 87.2 | Confident | 204 Ų | 204 | 72.1 Ų | 72.1 | 95% | 0.953 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -96.2 | -25.2 | 173.9 | -65.9 | -177 | 173 | 0 | 0 | 112.3 | ||
| 503 | S | 87.8 | Confident | 87.1 | Confident | 70 Ų | 70 | 69 Ų | 69 | 49% | 0.49 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -82.8 | -23.1 | -173.5 | 53.3 | 0 | 0 | 0 | 0 | 114.1 | P453 | P453-S503 WeakPolarHBondContact CD-O 3.45Š|
| 504 | Y | 91.6 | Very high | 87.1 | Confident | 33 Ų | 33 | 69.8 Ų | 69.8 | 13% | 0.129 | 34% | 0.343 | C | S | . | . | trans | -143.1 | 159.2 | -179.7 | 68 | -88.6 | 0 | 0 | 0 | 110.7 | V450 T451 W456 L464 A501 I506 | V450-Y504 HydrophobicContact CG1-CD2 4.47Å; T451-Y504 CarbonylContact O-C 3.52Å; T451-Y504 WeakPolarHBondContact O-CA 3.22Å; T451-Y504 VanDerWaalsContact O-CB 3.28Å; T451-Y504 WeakPolarHBondContact O-CB 3.39Å; W456-Y504 AromaticContact CH2-CD1 3.67Å; W456-Y504 HydrophobicContact CH2-CD1 3.67Å; W456-Y504 HydrophobicContact CH2-CE1 4.49Å; W456-Y504 HydrophobicContact CH2-CG 4.01Å; W456-Y504 HydrophobicContact CZ2-CD1 4.28Å; L464-Y504 HydrophobicContact CD1-CE1 3.72Å; L464-Y504 HydrophobicContact CD1-CE2 4.1Å; L464-Y504 WeakPolarHBondContact CD1-OH 3.46Å; L464-Y504 HydrophobicContact CD2-CD1 4.35Å; L464-Y504 HydrophobicContact CD2-CD2 3.97Å; L464-Y504 HydrophobicContact CD2-CE1 4.29Å; L464-Y504 HydrophobicContact CD2-CE2 3.91Å; L464-Y504 HydrophobicContact CD2-CG 4.21Å; A501-Y504 HydrophobicContact CB-CD1 3.8Å; A501-Y504 HydrophobicContact CB-CD2 4.47Å; A501-Y504 HydrophobicContact CB-CE1 3.3Å; A501-Y504 HydrophobicContact CB-CE2 4.04Å; A501-Y504 HydrophobicContact CB-CG 4.35Å; A501-Y504 VanDerWaalsContact CB-CZ 3.42Å; Y504-I506 HydrophobicContact CD2-CD1 4.26Å; Y504-I506 HydrophobicContact CD2-CG1 3.84Å; Y504-I506 HydrophobicContact CE2-CD1 3.76Å; Y504-I506 HydrophobicContact CE2-CG1 3.81Å | ||
| 505 | K | 91.8 | Very high | 87 | Confident | 126 Ų | 126 | 71.1 Ų | 71.1 | 55% | 0.548 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 134.3 | 174.9 | -173.1 | -174.7 | 177.8 | -167.9 | 0 | 109.3 | V450 T451 | V450-K505 WeakPolarHBondContact CA-O 3.44Å; T451-K505 PolarHBondContact N-O 2.8Å; T451-K505 PolarHBondContact O-N 3.09Å; T451-K505 WeakPolarHBondContact OG1-CB 3.43Å |
| 506 | I | 93.3 | Very high | 86.7 | Confident | 10 Ų | 10 | 73.7 Ų | 73.7 | 5% | 0.051 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 136.1 | 172.7 | -55.2 | -178.6 | 0 | 0 | 0 | 107.9 | L448 Y449 V450 F465 M495 Y504 | L448-I506 HydrophobicContact CB-CG2 3.96Å; L448-I506 HydrophobicContact CD1-CG2 3.96Å; L448-I506 HydrophobicContact CD2-CG2 3.77Å; L448-I506 HydrophobicContact CG-CG2 4.12Å; Y449-I506 WeakPolarHBondContact O-CA 3.5Å; V450-I506 HydrophobicContact CG1-CG1 4.16Å; V450-I506 HydrophobicContact CG2-CG1 4.31Å; F465-I506 HydrophobicContact CE1-CD1 3.79Å; F465-I506 HydrophobicContact CZ-CD1 3.52Å; F465-I506 HydrophobicContact CZ-CG1 4.32Å; M495-I506 HydrophobicContact SD-CB 4.24Å; M495-I506 HydrophobicContact SD-CG2 3.7Å; Y504-I506 HydrophobicContact CD2-CD1 4.26Å; Y504-I506 HydrophobicContact CD2-CG1 3.84Å; Y504-I506 HydrophobicContact CE2-CD1 3.76Å; Y504-I506 HydrophobicContact CE2-CG1 3.81Å |
| 507 | Q | 91.4 | Very high | 86.3 | Confident | 41 Ų | 41 | 76.4 Ų | 76.4 | 19% | 0.192 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 157.8 | 167.3 | 69.2 | -164 | 13.9 | 0 | 0 | 110.2 | Y449 M495 | Y449-Q507 VanDerWaalsContact CD1-CD 3.41Å; Y449-Q507 HydrophobicContact CD1-CG 3.58Å; Y449-Q507 VanDerWaalsContact CE1-NE2 3.28Å; Y449-Q507 HydrophobicContact CG-CG 4.09Å; Y449-Q507 PolarHBondContact N-O 3.09Å; Y449-Q507 PolarHBondContact O-N 3.01Å; M495-Q507 VanDerWaalsContact SD-C 3.6Å; M495-Q507 VanDerWaalsContact SD-CA 3.52Å |
| 508 | T | 91.1 | Very high | 86.1 | Confident | 30 Ų | 30 | 77 Ų | 77 | 18% | 0.184 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 155.2 | 175.6 | 71.2 | 0 | 0 | 0 | 0 | 110.2 | M495 A510 D511 Y512 | M495-T508 HydrophobicContact CE-CG2 4.04Å; M495-T508 HydrophobicContact CG-CG2 4.19Å; M495-T508 HydrophobicContact SD-CG2 4.07Å; T508-A510 PolarHBondContact O-N 3.36Å; T508-D511 PolarHBondContact O-N 3.37Å; T508-D511 WeakPolarHBondContact OG1-CB 3.49Å; T508-D511 PolarHBondContact OG1-N 3.11Å; T508-D511 PolarHBondContact OG1-OD2 3.05Å; T508-D511 VanDerWaalsContact OG1-N 3.11Å; T508-Y512 PolarHBondContact O-N 2.69Å |
| 509 | Y | 87.4 | Confident | 85.7 | Confident | 27 Ų | 27 | 82.6 Ų | 82.6 | 11% | 0.106 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -57.9 | -38.7 | 173.4 | -179 | -97.6 | 0 | 0 | 0 | 112.1 | R444 V447 F482 Y512 I513 | R444-Y509 HydrophobicContact CB-CD1 3.57Å; R444-Y509 HydrophobicContact CB-CE1 3.98Å; R444-Y509 HydrophobicContact CB-CG 3.98Å; R444-Y509 HydrophobicContact CG-CD1 4.4Å; R444-Y509 HydrophobicContact CG-CE1 4.34Å; R444-Y509 PolarHBondContact NH1-OH 3.49Å; V447-Y509 HydrophobicContact CB-CG 4.46Å; V447-Y509 HydrophobicContact CG1-CD2 4.19Å; V447-Y509 VanDerWaalsContact O-CB 3.32Å; V447-Y509 WeakPolarHBondContact O-CB 3.45Å; V447-Y509 PolarHBondContact O-N 2.68Å; V447-Y509 VanDerWaalsContact O-N 3.1Å; F482-Y509 HydrophobicContact CD1-CD2 4.15Å; F482-Y509 AromaticContact CE1-CD2 3.7Å; F482-Y509 HydrophobicContact CE1-CD2 3.7Å; F482-Y509 AromaticContact CE1-CE2 3.94Å; F482-Y509 HydrophobicContact CE1-CE2 3.94Å; F482-Y509 HydrophobicContact CZ-CD2 4.21Å; F482-Y509 AromaticContact CZ-CE2 3.96Å; F482-Y509 HydrophobicContact CZ-CE2 3.96Å; Y509-Y512 WeakPolarHBondContact O-CB 3.28Å; Y509-Y512 PolarHBondContact O-N 3.29Å; Y509-I513 HydrophobicContact CD1-CG1 4.06Å; Y509-I513 HydrophobicContact CE1-CD1 4.19Å; Y509-I513 HydrophobicContact CE1-CG1 3.55Å; Y509-I513 HydrophobicContact CE2-CD1 4.1Å; Y509-I513 HydrophobicContact CE2-CG1 4.09Å; Y509-I513 WeakPolarHBondContact O-CG1 3.42Å; Y509-I513 PolarHBondContact O-N 3.29Å; Y509-I513 WeakPolarHBondContact OH-CD1 3.16Å |
| 510 | A | 86.1 | Confident | 85.2 | Confident | 62 Ų | 62 | 80.3 Ų | 80.3 | 51% | 0.512 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.2 | -45.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T508 Y512 I513 Q514 | T508-A510 PolarHBondContact O-N 3.36Å; A510-Y512 VanDerWaalsContact C-N 3.33Å; A510-Y512 PolarHBondContact O-N 3.46Å; A510-I513 PolarHBondContact O-N 3.41Å; A510-Q514 WeakPolarHBondContact O-CB 3.22Å; A510-Q514 PolarHBondContact O-N 3.36Å |
| 511 | D | 87.8 | Confident | 84.6 | Confident | 76 Ų | 76 | 76.7 Ų | 76.7 | 41% | 0.406 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 177.3 | -61.6 | -37.1 | 0 | 0 | 0 | 111.5 | T508 Q514 G515 | T508-D511 PolarHBondContact O-N 3.37Å; T508-D511 WeakPolarHBondContact OG1-CB 3.49Å; T508-D511 PolarHBondContact OG1-N 3.11Å; T508-D511 PolarHBondContact OG1-OD2 3.05Å; T508-D511 VanDerWaalsContact OG1-N 3.11Å; D511-Q514 PolarHBondContact O-N 3.45Å; D511-G515 PolarHBondContact O-N 2.9Å |
| 512 | Y | 87.1 | Confident | 84 | Confident | 36 Ų | 36 | 82.7 Ų | 82.7 | 14% | 0.141 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.4 | -49.5 | 175.5 | 168.8 | -101.1 | 0 | 0 | 0 | 111.7 | Y449 F482 T508 Y509 A510 Q514 G515 K516 | Y449-Y512 HydrophobicContact CD1-CD2 4.16Å; Y449-Y512 AromaticContact CD2-CD2 3.66Å; Y449-Y512 HydrophobicContact CD2-CD2 3.66Å; Y449-Y512 AromaticContact CD2-CE2 3.81Å; Y449-Y512 HydrophobicContact CD2-CE2 3.81Å; Y449-Y512 HydrophobicContact CD2-CG 4.18Å; Y449-Y512 HydrophobicContact CE1-CD2 4.23Å; Y449-Y512 AromaticContact CE2-CD2 3.83Å; Y449-Y512 HydrophobicContact CE2-CD2 3.83Å; Y449-Y512 AromaticContact CE2-CE2 3.6Å; Y449-Y512 HydrophobicContact CE2-CE2 3.6Å; Y449-Y512 AromaticContact CG-CD2 3.82Å; Y449-Y512 HydrophobicContact CG-CD2 3.82Å; Y449-Y512 HydrophobicContact CG-CE2 4.41Å; Y449-Y512 HydrophobicContact CG-CG 4.19Å; F482-Y512 AromaticContact CE1-CD1 3.89Å; F482-Y512 HydrophobicContact CE1-CD1 3.89Å; F482-Y512 HydrophobicContact CE1-CE1 4.05Å; F482-Y512 HydrophobicContact CE1-CG 4.38Å; F482-Y512 AromaticContact CZ-CD1 3.91Å; F482-Y512 HydrophobicContact CZ-CD1 3.91Å; F482-Y512 AromaticContact CZ-CE1 3.59Å; F482-Y512 HydrophobicContact CZ-CE1 3.59Å; T508-Y512 PolarHBondContact O-N 2.69Å; Y509-Y512 WeakPolarHBondContact O-CB 3.28Å; Y509-Y512 PolarHBondContact O-N 3.29Å; A510-Y512 VanDerWaalsContact C-N 3.33Å; A510-Y512 PolarHBondContact O-N 3.46Å; Y512-Q514 PolarHBondContact O-N 2.98Å; Y512-G515 PolarHBondContact O-N 3.5Å; Y512-K516 HydrophobicContact CE1-CD 4.32Å; Y512-K516 WeakPolarHBondContact O-CB 3.47Å; Y512-K516 PolarHBondContact O-N 3.08Å |
| 513 | I | 83.9 | Confident | 83 | Confident | 41 Ų | 41 | 80.4 Ų | 80.4 | 21% | 0.21 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.3 | -42.1 | -179.9 | -66.5 | -61.5 | 0 | 0 | 0 | 111.2 | Y509 A510 G515 K516 Q517 | Y509-I513 HydrophobicContact CD1-CG1 4.06Å; Y509-I513 HydrophobicContact CE1-CD1 4.19Å; Y509-I513 HydrophobicContact CE1-CG1 3.55Å; Y509-I513 HydrophobicContact CE2-CD1 4.1Å; Y509-I513 HydrophobicContact CE2-CG1 4.09Å; Y509-I513 WeakPolarHBondContact O-CG1 3.42Å; Y509-I513 PolarHBondContact O-N 3.29Å; Y509-I513 WeakPolarHBondContact OH-CD1 3.16Å; A510-I513 PolarHBondContact O-N 3.41Å; I513-G515 PolarHBondContact O-N 3.21Å; I513-K516 PolarHBondContact O-N 2.97Å; I513-Q517 PolarHBondContact O-N 3.27Å |
| 514 | Q | 84.9 | Confident | 81.2 | Confident | 110 Ų | 110 | 80 Ų | 80 | 51% | 0.514 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | 176.6 | -171.2 | 177.3 | 41.8 | 0 | 0 | 111.7 | A510 D511 Y512 K516 Q517 Q518 | A510-Q514 WeakPolarHBondContact O-CB 3.22Å; A510-Q514 PolarHBondContact O-N 3.36Å; D511-Q514 PolarHBondContact O-N 3.45Å; Y512-Q514 PolarHBondContact O-N 2.98Å; Q514-K516 PolarHBondContact O-N 3.37Å; Q514-Q517 PolarHBondContact O-N 2.99Å; Q514-Q518 WeakPolarHBondContact O-CG 3.29Å; Q514-Q518 PolarHBondContact O-N 3.28Å; Q514-Q518 VanDerWaalsContact O-N 3.08Å |
| 515 | G | 85.1 | Confident | 78.7 | Confident | 30 Ų | 30 | 85.9 Ų | 85.9 | 31% | 0.309 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60 | -44.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D511 Y512 I513 Q517 Q518 E519 | D511-G515 PolarHBondContact O-N 2.9Å; Y512-G515 PolarHBondContact O-N 3.5Å; I513-G515 PolarHBondContact O-N 3.21Å; G515-Q517 PolarHBondContact O-N 3.41Å; G515-Q518 PolarHBondContact O-N 3.01Å; G515-E519 PolarHBondContact O-N 3.25Å |
| 516 | K | 81.4 | Confident | 76.3 | Confident | 84 Ų | 84 | 85.2 Ų | 85.2 | 37% | 0.365 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 178.4 | -169.8 | 175.4 | -179.4 | 169.4 | 0 | 112.6 | E52 Y512 I513 Q514 E519 K520 | E52-K516 IonicContact OE1-NZ 2.63Å; E52-K516 PolarHBondContact OE1-NZ 3.48Å; Y512-K516 HydrophobicContact CE1-CD 4.32Å; Y512-K516 WeakPolarHBondContact O-CB 3.47Å; Y512-K516 PolarHBondContact O-N 3.08Å; I513-K516 PolarHBondContact O-N 2.97Å; Q514-K516 PolarHBondContact O-N 3.37Å; K516-E519 PolarHBondContact O-N 2.86Å; K516-K520 PolarHBondContact O-N 2.88Å |
| 517 | Q | 77.4 | Confident | 73.7 | Confident | 120 Ų | 120 | 89.7 Ų | 89.7 | 56% | 0.561 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.1 | -45 | 174.8 | -77.2 | 176.6 | -9.5 | 0 | 0 | 111.7 | I513 Q514 G515 E519 K520 E521 | I513-Q517 PolarHBondContact O-N 3.27Å; Q514-Q517 PolarHBondContact O-N 2.99Å; G515-Q517 PolarHBondContact O-N 3.41Å; Q517-E519 VanDerWaalsContact C-N 3.32Å; Q517-E519 PolarHBondContact O-N 2.91Å; Q517-K520 PolarHBondContact O-N 3.36Å; Q517-E521 WeakPolarHBondContact O-CG 3.49Å; Q517-E521 PolarHBondContact O-N 3.25Å |
| 518 | Q | 79.6 | Confident | 70.9 | Confident | 88 Ų | 88 | 96 Ų | 96 | 41% | 0.411 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.7 | -36.2 | 177.2 | -71 | 178 | 17.6 | 0 | 0 | 112.7 | Q514 G515 K522 | Q514-Q518 WeakPolarHBondContact O-CG 3.29Å; Q514-Q518 PolarHBondContact O-N 3.28Å; Q514-Q518 VanDerWaalsContact O-N 3.08Å; G515-Q518 PolarHBondContact O-N 3.01Å; Q518-K522 WeakPolarHBondContact O-CB 3.5Å; Q518-K522 WeakPolarHBondContact O-CG 3.47Å; Q518-K522 PolarHBondContact O-N 3.12Å |
| 519 | E | 79.3 | Confident | 68 | Low | 130 Ų | 130 | 101.4 Ų | 101.4 | 61% | 0.607 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.6 | -42.2 | 173.6 | -77 | -176.4 | 167.3 | 0 | 0 | 112.1 | G515 K516 Q517 E521 K522 L523 | G515-E519 PolarHBondContact O-N 3.25Å; K516-E519 PolarHBondContact O-N 2.86Å; Q517-E519 VanDerWaalsContact C-N 3.32Å; Q517-E519 PolarHBondContact O-N 2.91Å; E519-E521 VanDerWaalsContact C-N 3.34Å; E519-E521 PolarHBondContact O-N 2.95Å; E519-K522 PolarHBondContact O-N 3.38Å; E519-L523 PolarHBondContact O-N 3.45Å |
| 520 | K | 72 | Confident | 65.2 | Low | 134 Ų | 134 | 111.9 Ų | 111.9 | 58% | 0.583 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.4 | -41.4 | 176 | -159.6 | 178.1 | 179.5 | -173.5 | 0 | 111 | D307 K516 Q517 L523 G524 | D307-K520 IonicContact OD1-NZ 3.49Å; K516-K520 PolarHBondContact O-N 2.88Å; Q517-K520 PolarHBondContact O-N 3.36Å; K520-L523 PolarHBondContact O-N 2.98Å; K520-G524 PolarHBondContact O-N 3.33Å |
| 521 | E | 70.5 | Confident | 62.5 | Low | 130 Ų | 130 | 112.2 Ų | 112.2 | 61% | 0.607 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.3 | -38.4 | 175 | -73.8 | 179.2 | 172 | 0 | 0 | 113 | Q517 E519 G524 Q525 | Q517-E521 WeakPolarHBondContact O-CG 3.49Å; Q517-E521 PolarHBondContact O-N 3.25Å; E519-E521 VanDerWaalsContact C-N 3.34Å; E519-E521 PolarHBondContact O-N 2.95Å; E521-G524 PolarHBondContact O-N 3.32Å; E521-Q525 PolarHBondContact O-N 3.1Å |
| 522 | K | 70.8 | Confident | 59.9 | Low | 154 Ų | 154 | 115.8 Ų | 115.8 | 67% | 0.67 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -67.1 | -37.1 | 175.9 | -77.6 | 171.5 | -175.8 | 173.1 | 0 | 112.8 | Q518 E519 G524 | Q518-K522 WeakPolarHBondContact O-CB 3.5Å; Q518-K522 WeakPolarHBondContact O-CG 3.47Å; Q518-K522 PolarHBondContact O-N 3.12Å; E519-K522 PolarHBondContact O-N 3.38Å; K522-G524 VanDerWaalsContact C-N 3.34Å |
| 523 | L | 62.8 | Low | 57.2 | Low | 157 Ų | 157 | 121.2 Ų | 121.2 | 82% | 0.822 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -74.6 | -23.8 | 173.9 | -98.8 | 78.9 | 0 | 0 | 0 | 112.8 | E519 K520 | E519-L523 PolarHBondContact O-N 3.45Å; K520-L523 PolarHBondContact O-N 2.98Å |
| 524 | G | 50.8 | Low | 54.5 | Low | 61 Ų | 61 | 124.6 Ų | 124.6 | 63% | 0.629 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -85.5 | -10.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | K520 E521 K522 | K520-G524 PolarHBondContact O-N 3.33Å; E521-G524 PolarHBondContact O-N 3.32Å; K522-G524 VanDerWaalsContact C-N 3.34Å |
| 525 | Q | 38 | Very low | 52 | Low | 156 Ų | 156 | 131.5 Ų | 131.5 | 73% | 0.729 | 69% | 0.692 | S | S | * | * | trans | -94.5 | 118.3 | 176.8 | -71.9 | -171.6 | 6.3 | 0 | 0 | 111.8 | E521 A527 | E521-Q525 PolarHBondContact O-N 3.1Å; Q525-A527 PolarHBondContact O-N 3Å | ||
| 526 | P | 40.9 | Very low | 49.4 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | trans | -70.9 | 126.9 | 163.1 | 29 | -29.8 | 0 | 0 | 0 | 108.6 | K528 | P526-K528 PolarHBondContact O-N 3.08Š| ||
| 527 | A | 38.6 | Very low | 47 | Very low | 104 Ų | 104 | 141.1 Ų | 141.1 | 86% | 0.86 | 74% | 0.736 | S | S | * | * | trans | -60 | 98 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q525 | Q525-A527 PolarHBondContact O-N 3Š| ||
| 528 | K | 33.1 | Very low | 44.7 | Very low | 175 Ų | 175 | 141.1 Ų | 141.1 | 76% | 0.761 | 75% | 0.747 | S | S | * | * | trans | -121.3 | 92.4 | 162.2 | -81.1 | -170.5 | 177.6 | 179.9 | 0 | 108.8 | P526 W530 | P526-K528 PolarHBondContact O-N 3.08Å; K528-W530 PolarHBondContact O-N 3.23Å | ||
| 529 | T | 30 | Very low | 42.1 | Very low | 143 Ų | 143 | 145.5 Ų | 145.5 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | trans | -60.3 | 114.7 | 158.8 | -15.7 | 0 | 0 | 0 | 0 | 107.4 | G531 | T529-G531 PolarHBondContact O-N 3.34Š| ||
| 530 | W | 29.7 | Very low | 39.8 | Very low | 246 Ų | 246 | 149.6 Ų | 149.6 | 93% | 0.932 | 78% | 0.778 | S | S | * | * | trans | -70.2 | 108 | 170.4 | -78.9 | 76.2 | 0 | 0 | 0 | 108.6 | K528 | K528-W530 PolarHBondContact O-N 3.23Š| ||
| 531 | G | 28.5 | Very low | 37.8 | Very low | 70 Ų | 70 | 149.4 Ų | 149.4 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | -93.3 | 121.7 | 156.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | T529 D533 | T529-G531 PolarHBondContact O-N 3.34Å; G531-D533 PolarHBondContact O-N 3.14Å | ||
| 532 | D | 32.4 | Very low | 35.7 | Very low | 150 Ų | 150 | 148.4 Ų | 148.4 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | trans | -59.9 | 114.8 | 175.4 | -151.9 | 9.2 | 0 | 0 | 0 | 109.8 | ||||
| 533 | D | 32.2 | Very low | 33.7 | Very low | 151 Ų | 151 | 146.4 Ų | 146.4 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | trans | 163.5 | 137 | 133.6 | -89.3 | -29.4 | 0 | 0 | 0 | 113.1 | G531 | G531-D533 PolarHBondContact O-N 3.14Š| ||
| 534 | S | 26.6 | Very low | 31.9 | Very low | 112 Ų | 112 | 144.7 Ų | 144.7 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | 98.1 | 108.4 | 155.4 | -151.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 535 | W | 32.5 | Very low | 30.8 | Very low | 254 Ų | 254 | 147.9 Ų | 147.9 | 96% | 0.962 | 81% | 0.807 | S | S | * | * | trans | -62.1 | 117.1 | 165 | -80.5 | 71.5 | 0 | 0 | 0 | 112.9 | ||||
| 536 | V | 30.5 | Very low | 30.2 | Very low | 133 Ų | 133 | 145.6 Ų | 145.6 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | trans | -150.7 | 141 | 148.9 | -168.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 537 | K | 30.2 | Very low | 29.6 | Very low | 184 Ų | 184 | 145.3 Ų | 145.3 | 80% | 0.8 | 82% | 0.815 | S | S | * | * | trans | -48.9 | 160 | -172.9 | -68.3 | 175 | 177.4 | 177.9 | 0 | 118.3 | ||||
| 538 | P | 28.7 | Very low | 28.8 | Very low | 120 Ų | 120 | 144 Ų | 144 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | trans | -75.5 | 130.2 | 175.3 | 30 | -32.3 | 0 | 0 | 0 | 112.7 | ||||
| 539 | H | 26 | Very low | 28.5 | Very low | 180 Ų | 180 | 145.4 Ų | 145.4 | 83% | 0.833 | 82% | 0.818 | S | S | * | * | trans | -92.2 | 107.6 | 170.9 | -82.7 | -78.5 | 0 | 0 | 0 | 110.7 | ||||
| 540 | Y | 30.6 | Very low | 28.1 | Very low | 216 Ų | 216 | 142.2 Ų | 142.2 | 85% | 0.847 | 81% | 0.814 | S | S | * | * | trans | -77.9 | 137.9 | 146 | -81 | -91.2 | 0 | 0 | 0 | 108.4 | ||||
| 541 | P | 29.8 | Very low | 27.9 | Very low | 129 Ų | 129 | 140 Ų | 140 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | trans | -99.8 | 102.5 | 155.7 | 29.8 | -19.4 | 0 | 0 | 0 | 109.5 | ||||
| 542 | S | 27.2 | Very low | 27.7 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | trans | -98.3 | 129.9 | 149.4 | 174.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 543 | S | 27.9 | Very low | 27.4 | Very low | 111 Ų | 111 | 146 Ų | 146 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | trans | -163.1 | 105.9 | 154.7 | 40 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 544 | T | 25.3 | Very low | 27.1 | Very low | 121 Ų | 121 | 151 Ų | 151 | 74% | 0.742 | 83% | 0.827 | S | S | * | * | trans | -40 | 139.2 | 138.7 | 35.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 545 | T | 28.3 | Very low | 27 | Very low | 128 Ų | 128 | 154.3 Ų | 154.3 | 79% | 0.785 | 83% | 0.827 | S | S | * | * | 173.5 | 127.1 | 101.1 | 43 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 546 | S | 24.8 | Very low | 26.7 | Very low | 109 Ų | 109 | 154.2 Ų | 154.2 | 76% | 0.762 | 83% | 0.827 | S | S | * | * | trans | 19.1 | 121.8 | 144.1 | 60.1 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 547 | A | 27.7 | Very low | 26.4 | Very low | 105 Ų | 105 | 153.4 Ų | 153.4 | 87% | 0.868 | 83% | 0.827 | S | S | * | * | 74.9 | 119.9 | 124.3 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 548 | G | 22.5 | Very low | 26.1 | Very low | 77 Ų | 77 | 152.3 Ų | 152.3 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | trans | -178.7 | 100.2 | 158.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 549 | F | 26.3 | Very low | 25.9 | Very low | 204 Ų | 204 | 151.6 Ų | 151.6 | 90% | 0.895 | 83% | 0.826 | S | S | * | * | trans | -65.4 | 147.1 | -176.7 | -84.9 | -97 | 0 | 0 | 0 | 114.3 | ||||
| 550 | G | 22.5 | Very low | 26.2 | Very low | 77 Ų | 77 | 148.7 Ų | 148.7 | 79% | 0.794 | 82% | 0.824 | S | S | * | * | trans | -175.6 | 80.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 551 | F | 25.9 | Very low | 26 | Very low | 199 Ų | 199 | 145.7 Ų | 145.7 | 87% | 0.873 | 83% | 0.828 | S | S | * | * | trans | -69.6 | 138.2 | 170 | -92.5 | -88.7 | 0 | 0 | 0 | 110.9 | ||||
| 552 | S | 23.4 | Very low | 25.9 | Very low | 121 Ų | 121 | 149 Ų | 149 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | trans | -131.5 | 121.1 | 154.8 | -129.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 553 | R | 26.1 | Very low | 25.9 | Very low | 225 Ų | 225 | 147.2 Ų | 147.2 | 85% | 0.849 | 83% | 0.831 | S | S | * | * | trans | -51.4 | 140.5 | 172.4 | -74.3 | 169 | 162.4 | 174.9 | -4.6 | 110.9 | ||||
| 554 | R | 25.9 | Very low | 25.8 | Very low | 255 Ų | 255 | 149.8 Ų | 149.8 | 96% | 0.962 | 83% | 0.831 | S | S | * | * | trans | -127.1 | 112.7 | 146.7 | -82.5 | -168.7 | 177.7 | -171.8 | 0.2 | 111.4 | ||||
| 555 | K | 25.6 | Very low | 25.9 | Very low | 182 Ų | 182 | 152.4 Ų | 152.4 | 79% | 0.791 | 84% | 0.835 | S | S | * | * | trans | -70.3 | 153 | 163.7 | -76.7 | -179.7 | 170.8 | -178.3 | 0 | 109.4 | ||||
| 556 | R | 25.4 | Very low | 25.7 | Very low | 252 Ų | 252 | 150.2 Ų | 150.2 | 95% | 0.951 | 84% | 0.837 | S | S | * | * | trans | -52.3 | 137.4 | 156.1 | -74.3 | 176.3 | 176 | 171.9 | -2.5 | 110.5 | ||||
| 557 | S | 23.4 | Very low | 25.8 | Very low | 116 Ų | 116 | 148.9 Ų | 148.9 | 81% | 0.811 | 84% | 0.841 | S | S | * | * | trans | -155.8 | 130.2 | 153.4 | 52 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 558 | I | 24.9 | Very low | 25.6 | Very low | 161 Ų | 161 | 150.8 Ų | 150.8 | 83% | 0.826 | 84% | 0.837 | S | S | * | * | trans | -76.4 | 159.9 | 173.3 | -65.3 | 159.9 | 0 | 0 | 0 | 109.3 | ||||
| 559 | S | 24.6 | Very low | 25.9 | Very low | 106 Ų | 106 | 154.2 Ų | 154.2 | 74% | 0.741 | 84% | 0.837 | S | S | * | * | trans | 124.2 | 165.4 | 146.5 | -44.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 560 | P | 32.3 | Very low | 25.9 | Very low | 119 Ų | 119 | 148.1 Ų | 148.1 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | -129 | 168.3 | -70.6 | 36.5 | -20.5 | 0 | 0 | 0 | 110.9 | |||||
| 561 | T | 26.4 | Very low | 26.1 | Very low | 153 Ų | 153 | 149.3 Ų | 149.3 | 94% | 0.939 | 83% | 0.834 | S | S | * | * | trans | -135.4 | 120.4 | 163.7 | 41.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 562 | Q | 28.3 | Very low | 26.1 | Very low | 198 Ų | 198 | 146.5 Ų | 146.5 | 93% | 0.925 | 84% | 0.837 | S | S | * | * | trans | -105 | 141.6 | 168.3 | -101.7 | -177.7 | -17.6 | 0 | 0 | 108.9 | ||||
| 563 | G | 25.7 | Very low | 26.2 | Very low | 73 Ų | 73 | 144.4 Ų | 144.4 | 75% | 0.753 | 84% | 0.835 | S | S | * | * | trans | 72.5 | 138.6 | 151.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 564 | E | 25.8 | Very low | 26.2 | Very low | 164 Ų | 164 | 141.5 Ų | 141.5 | 77% | 0.766 | 84% | 0.836 | S | S | * | * | cis | -165.7 | 148 | 14.8 | -100.5 | -174.4 | 113.9 | 0 | 0 | 110.4 | ||||
| 565 | Q | 27.2 | Very low | 26.2 | Very low | 176 Ų | 176 | 132.5 Ų | 132.5 | 82% | 0.822 | 82% | 0.823 | S | S | * | * | trans | 70 | 124 | 138.9 | -68.6 | -179 | 20.4 | 0 | 0 | 124.7 | ||||
| 566 | G | 25.5 | Very low | 26.1 | Very low | 82 Ų | 82 | 134.6 Ų | 134.6 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | trans | 110.3 | 92.2 | 135.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 567 | G | 25.4 | Very low | 26.2 | Very low | 82 Ų | 82 | 129.8 Ų | 129.8 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | 95.8 | 132.4 | 89.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 568 | D | 25.5 | Very low | 26.3 | Very low | 144 Ų | 144 | 130.8 Ų | 130.8 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | cis | -167.8 | 150.7 | 26.5 | -166.5 | 23.5 | 0 | 0 | 0 | 110 | ||||
| 569 | D | 27.6 | Very low | 26.4 | Very low | 150 Ų | 150 | 133.7 Ų | 133.7 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | trans | 51.3 | 134.6 | 155.8 | -76.4 | -18.3 | 0 | 0 | 0 | 125.8 | ||||
| 570 | G | 26.4 | Very low | 26.4 | Very low | 75 Ų | 75 | 133.4 Ų | 133.4 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | 168.9 | 7.9 | 157.8 | 0 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 571 | A | 27.5 | Very low | 26.1 | Very low | 102 Ų | 102 | 137.8 Ų | 137.8 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | trans | 73.7 | 134.2 | 157.5 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 572 | C | 25.8 | Very low | 26.4 | Very low | 140 Ų | 140 | 136.3 Ų | 136.3 | 95% | 0.946 | 81% | 0.811 | S | S | * | * | trans | 66.2 | 123 | 158 | -81.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 573 | G | 25.7 | Very low | 26.3 | Very low | 78 Ų | 78 | 135.3 Ų | 135.3 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | cis | 171.1 | 118.2 | 0.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 574 | D | 25.5 | Very low | 26.3 | Very low | 163 Ų | 163 | 134.6 Ų | 134.6 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | trans | -76.9 | 148.4 | 177.3 | -75.5 | -44.1 | 0 | 0 | 0 | 112.6 | ||||
| 575 | G | 26 | Very low | 26.4 | Very low | 67 Ų | 67 | 134 Ų | 134 | 69% | 0.691 | 81% | 0.813 | S | S | * | * | 102.6 | 147.8 | 103.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 576 | W | 24.2 | Very low | 26.3 | Very low | 226 Ų | 226 | 129 Ų | 129 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | -166.3 | 149.2 | 54.1 | -94.5 | 68.2 | 0 | 0 | 0 | 112.1 | |||||
| 577 | N | 26.6 | Very low | 26.3 | Very low | 150 Ų | 150 | 130.5 Ų | 130.5 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | trans | -60.9 | 154.2 | 160.9 | -74.1 | -45.9 | 0 | 0 | 0 | 112.8 | ||||
| 578 | H | 26.1 | Very low | 26.4 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 64% | 0.639 | 81% | 0.805 | S | S | * | * | trans | -170.7 | 132.2 | 132.3 | -106.6 | -72.3 | 0 | 0 | 0 | 109.9 | ||||
| 579 | Y | 25.7 | Very low | 26.5 | Very low | 221 Ų | 221 | 137.3 Ų | 137.3 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | 178.1 | 134.9 | 106.6 | -100.9 | -78.6 | 0 | 0 | 0 | 112.1 | |||||
| 580 | S | 25.5 | Very low | 26.4 | Very low | 101 Ų | 101 | 137.4 Ų | 137.4 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | trans | -95.5 | 152.3 | 178.6 | -44.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 581 | F | 26.3 | Very low | 26.4 | Very low | 210 Ų | 210 | 145.1 Ų | 145.1 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | -84.8 | 150.8 | 170.4 | -88.2 | -91.5 | 0 | 0 | 0 | 112.5 | ||||
| 582 | P | 32 | Very low | 26.4 | Very low | 122 Ų | 122 | 150.5 Ų | 150.5 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | trans | -109 | 149 | 160.6 | 35 | -23.8 | 0 | 0 | 0 | 113.4 | ||||
| 583 | D | 26.9 | Very low | 26.4 | Very low | 178 Ų | 178 | 151.2 Ų | 151.2 | 95% | 0.952 | 81% | 0.805 | S | S | * | * | trans | -82.4 | 156.1 | 174.5 | -121 | -22.3 | 0 | 0 | 0 | 112.1 | ||||
| 584 | G | 25.9 | Very low | 26.4 | Very low | 58 Ų | 58 | 154.5 Ų | 154.5 | 60% | 0.598 | 80% | 0.804 | S | S | * | * | trans | 159.3 | 89.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 585 | T | 26.9 | Very low | 26.5 | Very low | 151 Ų | 151 | 152.7 Ų | 152.7 | 93% | 0.926 | 80% | 0.798 | S | S | * | * | trans | 39.4 | 127.6 | 137.2 | 59.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 586 | G | 25.5 | Very low | 26.4 | Very low | 70 Ų | 70 | 153.2 Ų | 153.2 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | trans | 140.9 | 102.1 | 138.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 587 | S | 25.4 | Very low | 26.5 | Very low | 114 Ų | 114 | 146.2 Ų | 146.2 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | 51.7 | 125.9 | 128.4 | -55.8 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 588 | K | 28 | Very low | 26.5 | Very low | 189 Ų | 189 | 148.7 Ų | 148.7 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | 95.8 | 119 | 142.6 | -71.4 | 172.3 | -179.7 | 174.9 | 0 | 120.1 | ||||
| 589 | K | 28 | Very low | 26.4 | Very low | 180 Ų | 180 | 146.2 Ų | 146.2 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | 63.7 | 112.3 | 129.6 | -72.6 | -173.3 | 173.4 | -175.2 | 0 | 119.9 | |||||
| 590 | I | 25.6 | Very low | 26.4 | Very low | 152 Ų | 152 | 140.9 Ų | 140.9 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | 38.1 | 117.7 | 119.8 | -54.5 | 169.9 | 0 | 0 | 0 | 116.5 | |||||
| 591 | R | 24.5 | Very low | 26.5 | Very low | 238 Ų | 238 | 142.4 Ų | 142.4 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | -169 | 141.2 | 114.7 | -103.1 | -178.8 | -168.8 | -172.7 | 1.5 | 112.5 | |||||
| 592 | Y | 29.1 | Very low | 26.5 | Very low | 215 Ų | 215 | 141 Ų | 141 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -69.1 | 156.9 | 163.4 | -97.3 | -103 | 0 | 0 | 0 | 110.9 | ||||
| 593 | D | 25.3 | Very low | 26.1 | Very low | 155 Ų | 155 | 140.1 Ų | 140.1 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | trans | 163.7 | 104.8 | 143.2 | -77.7 | -18.2 | 0 | 0 | 0 | 105.2 | ||||
| 594 | D | 25.9 | Very low | 26.1 | Very low | 146 Ų | 146 | 138.1 Ų | 138.1 | 78% | 0.781 | 81% | 0.806 | S | S | * | * | 76.7 | 128.5 | 65.7 | -146 | 29.3 | 0 | 0 | 0 | 115.5 | |||||
| 595 | V | 27.2 | Very low | 26 | Very low | 125 Ų | 125 | 144 Ų | 144 | 76% | 0.758 | 82% | 0.817 | S | S | * | * | trans | 59.9 | 117.4 | 161.9 | -178.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 596 | G | 24.6 | Very low | 25.9 | Very low | 78 Ų | 78 | 142.3 Ų | 142.3 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | 111.4 | 129.3 | 114.3 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 597 | G | 25.1 | Very low | 26.1 | Very low | 80 Ų | 80 | 147.8 Ų | 147.8 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | 145.4 | 92.8 | 155.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 598 | Q | 26.5 | Very low | 26.2 | Very low | 201 Ų | 201 | 148.9 Ų | 148.9 | 94% | 0.939 | 82% | 0.818 | S | S | * | * | trans | -58.4 | 141.9 | 157.4 | -71.9 | 165.8 | -60 | 0 | 0 | 110.6 | ||||
| 599 | A | 25.1 | Very low | 26.1 | Very low | 86 Ų | 86 | 145.7 Ų | 145.7 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | 174.1 | 125 | 118.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 600 | S | 25.1 | Very low | 26.1 | Very low | 110 Ų | 110 | 147 Ų | 147 | 77% | 0.769 | 83% | 0.829 | S | S | * | * | trans | 41.5 | 122.3 | 140.2 | 67 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 601 | V | 26.9 | Very low | 26.2 | Very low | 133 Ų | 133 | 142.6 Ų | 142.6 | 81% | 0.806 | 82% | 0.82 | S | S | * | * | -148.7 | 115.1 | 127.8 | -174.8 | 0 | 0 | 0 | 0 | 110 | |||||
| 602 | E | 26.2 | Very low | 26.4 | Very low | 179 Ų | 179 | 143.2 Ų | 143.2 | 84% | 0.836 | 82% | 0.823 | S | S | * | * | trans | 22.5 | 112.1 | 145 | -63.2 | 169.3 | 151.7 | 0 | 0 | 119.6 | ||||
| 603 | A | 24.9 | Very low | 26.4 | Very low | 104 Ų | 104 | 140.9 Ų | 140.9 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 122 | 161 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 604 | V | 26.8 | Very low | 26.5 | Very low | 137 Ų | 137 | 143.4 Ų | 143.4 | 83% | 0.83 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 120.8 | 170.3 | 173.2 | 0 | 0 | 0 | 0 | 108.9 | S606 | V604-S606 PolarHBondContact O-N 3.09Š|
| 605 | E | 24.1 | Very low | 26.4 | Very low | 180 Ų | 180 | 145.3 Ų | 145.3 | 84% | 0.841 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 123.1 | 167.1 | -75.7 | -176.4 | 156.8 | 0 | 0 | 110.1 | ||
| 606 | S | 25.3 | Very low | 26.5 | Very low | 117 Ų | 117 | 145.8 Ų | 145.8 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | trans | -125 | 112.1 | 163 | -153.3 | 0 | 0 | 0 | 0 | 108.7 | V604 | V604-S606 PolarHBondContact O-N 3.09Š| ||
| 607 | K | 28 | Very low | 26.5 | Very low | 184 Ų | 184 | 150.3 Ų | 150.3 | 80% | 0.8 | 84% | 0.843 | S | S | * | * | trans | -77.6 | 115.5 | 178.2 | -69.6 | 175.9 | 176.3 | 177 | 0 | 109.5 | ||||
| 608 | T | 27.8 | Very low | 26.5 | Very low | 138 Ų | 138 | 152.1 Ų | 152.1 | 85% | 0.847 | 84% | 0.843 | S | S | * | * | trans | -176.9 | 92.4 | 139.7 | 43.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 609 | S | 26.2 | Very low | 26.6 | Very low | 122 Ų | 122 | 147.3 Ų | 147.3 | 85% | 0.853 | 83% | 0.832 | S | S | * | * | trans | -168.3 | 58.4 | 159.5 | 53.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 610 | E | 27.3 | Very low | 26.6 | Very low | 208 Ų | 208 | 154.6 Ų | 154.6 | 97% | 0.972 | 84% | 0.843 | S | S | * | * | trans | -100 | 102.9 | 157.2 | -76.8 | -169 | 163.3 | 0 | 0 | 108.1 | ||||
| 611 | G | 28.3 | Very low | 26.7 | Very low | 59 Ų | 59 | 157.3 Ų | 157.3 | 61% | 0.608 | 85% | 0.848 | S | S | * | * | trans | -177.4 | 14.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 612 | W | 28.1 | Very low | 26.6 | Very low | 250 Ų | 250 | 155.8 Ų | 155.8 | 95% | 0.947 | 85% | 0.849 | S | S | * | * | S | Bend | trans | -147.3 | 135.5 | 170.9 | -70.9 | 89.5 | 0 | 0 | 0 | 108.8 | ||
| 613 | L | 29.5 | Very low | 26.5 | Very low | 167 Ų | 167 | 156.2 Ų | 156.2 | 87% | 0.874 | 85% | 0.851 | S | S | * | * | S | Bend | trans | 88.4 | 80.7 | -172.7 | -55.2 | 160.6 | 0 | 0 | 0 | 115.5 | ||
| 614 | K | 26.8 | Very low | 26.9 | Very low | 208 Ų | 208 | 156.7 Ų | 156.7 | 90% | 0.904 | 85% | 0.846 | S | S | * | * | trans | 170.1 | 107 | 133.2 | -93.9 | 163.6 | -175.1 | 179.9 | 0 | 110.8 | ||||
| 615 | M | 25.3 | Very low | 26.9 | Very low | 185 Ų | 185 | 155.7 Ų | 155.7 | 91% | 0.911 | 84% | 0.844 | S | S | * | * | trans | -144.4 | 99.6 | 145.3 | -88 | -146.8 | -172.6 | 0 | 0 | 108.5 | ||||
| 616 | T | 27.7 | Very low | 27.4 | Very low | 136 Ų | 136 | 152.8 Ų | 152.8 | 83% | 0.834 | 84% | 0.841 | S | S | * | * | trans | 160.6 | 97.9 | 136.4 | 39.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 617 | N | 24.7 | Very low | 27.6 | Very low | 173 Ų | 173 | 153.1 Ų | 153.1 | 93% | 0.925 | 84% | 0.838 | S | S | * | * | trans | -161.8 | 95 | 152.6 | -102.8 | -11.4 | 0 | 0 | 0 | 106.8 | ||||
| 618 | S | 25.9 | Very low | 28.1 | Very low | 118 Ų | 118 | 150.1 Ų | 150.1 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | trans | -89.8 | 121.3 | 164.9 | 60.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 619 | S | 28.1 | Very low | 28.1 | Very low | 100 Ų | 100 | 150.7 Ų | 150.7 | 70% | 0.699 | 84% | 0.835 | S | S | * | * | trans | -55.3 | 144.7 | 179.7 | 50.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 620 | Y | 26.2 | Very low | 28.2 | Very low | 238 Ų | 238 | 149.1 Ų | 149.1 | 93% | 0.933 | 83% | 0.829 | S | S | * | * | trans | -114.4 | 130.5 | 140.5 | -83.3 | -81.2 | 0 | 0 | 0 | 109.2 | ||||
| 621 | L | 26.2 | Very low | 28.2 | Very low | 167 Ų | 167 | 148.7 Ų | 148.7 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | trans | -74 | 138.5 | 179.2 | -77.1 | 149.6 | 0 | 0 | 0 | 111.3 | ||||
| 622 | A | 24.2 | Very low | 28.2 | Very low | 101 Ų | 101 | 151.1 Ų | 151.1 | 84% | 0.835 | 83% | 0.832 | S | S | * | * | trans | -140.9 | 121 | 155.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 623 | E | 25 | Very low | 28.9 | Very low | 189 Ų | 189 | 144 Ų | 144 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | trans | -81.1 | 160.7 | 173 | -85.8 | -169 | 162.9 | 0 | 0 | 112.2 | ||||
| 624 | P | 33.8 | Very low | 28.9 | Very low | 114 Ų | 114 | 145 Ų | 145 | 74% | 0.74 | 82% | 0.819 | S | S | * | * | trans | -108.6 | 165.1 | -161.5 | 39.5 | -30.2 | 0 | 0 | 0 | 114.2 | ||||
| 625 | S | 26.2 | Very low | 29 | Very low | 115 Ų | 115 | 138.7 Ų | 138.7 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | 160.2 | 168 | 139.6 | -73.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 626 | P | 35.5 | Very low | 29.2 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | -129.8 | 174.5 | -65.8 | 36 | -17.6 | 0 | 0 | 0 | 112.8 | |||||
| 627 | V | 29.4 | Very low | 29.2 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 75% | 0.745 | 81% | 0.805 | S | S | * | * | trans | -67.5 | 154.1 | 173.6 | -169.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 628 | P | 38.1 | Very low | 29.5 | Very low | 121 Ų | 121 | 132.5 Ų | 132.5 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | -145.8 | 136.2 | 100.9 | 33.7 | -15.1 | 0 | 0 | 0 | 116.4 | |||||
| 629 | D | 27.7 | Very low | 29.5 | Very low | 150 Ų | 150 | 129.9 Ų | 129.9 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | 23.6 | 132 | 133.8 | -81 | -29.6 | 0 | 0 | 0 | 124.1 | ||||
| 630 | A | 27.9 | Very low | 29.6 | Very low | 89 Ų | 89 | 129.7 Ų | 129.7 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | 109.5 | 135.6 | 124.1 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 631 | K | 27.4 | Very low | 29.8 | Very low | 200 Ų | 200 | 129 Ų | 129 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | trans | 100.4 | 99.5 | 152.6 | -61.7 | -173.6 | 180 | 177.4 | 0 | 118.5 | ||||
| 632 | S | 27.5 | Very low | 29.9 | Very low | 109 Ų | 109 | 124.8 Ų | 124.8 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | -58.6 | 164.4 | 134.4 | -29 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 633 | P | 44.3 | Very low | 30.1 | Very low | 101 Ų | 101 | 127.6 Ų | 127.6 | 66% | 0.656 | 78% | 0.778 | S | S | * | * | cis | -152.2 | 176.2 | 47.3 | 40.9 | -18.1 | 0 | 0 | 0 | 118.3 | ||||
| 634 | E | 29.8 | Very low | 30.3 | Very low | 189 Ų | 189 | 120.9 Ų | 120.9 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | trans | 79.2 | 133.4 | 135.6 | -88.2 | 167.8 | -159.9 | 0 | 0 | 123.1 | ||||
| 635 | G | 28.1 | Very low | 30.1 | Very low | 75 Ų | 75 | 122.3 Ų | 122.3 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | 92.5 | 138.1 | 149.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 636 | A | 28.6 | Very low | 30.2 | Very low | 92 Ų | 92 | 120.4 Ų | 120.4 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | cis | 179.7 | 137.5 | -11.2 | 0 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 637 | D | 28.6 | Very low | 29.8 | Very low | 155 Ų | 155 | 120 Ų | 120 | 83% | 0.829 | 75% | 0.753 | S | S | * | * | trans | 62.7 | 141.5 | 142 | -94.6 | -21.9 | 0 | 0 | 0 | 124.9 | ||||
| 638 | S | 30 | Very low | 29.7 | Very low | 116 Ų | 116 | 125 Ų | 125 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | trans | 71 | 122.7 | 151.9 | 70.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 639 | G | 27.7 | Very low | 29.4 | Very low | 63 Ų | 63 | 127 Ų | 127 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | cis | 120.5 | 94.5 | 47.1 | 0 | 0 | 0 | 0 | 0 | 105 | ||||
| 640 | S | 28.3 | Very low | 29.4 | Very low | 96 Ų | 96 | 129.3 Ų | 129.3 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | 75 | 138.6 | 106.9 | 75 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 641 | Y | 30.3 | Very low | 29.5 | Very low | 223 Ų | 223 | 131.1 Ų | 131.1 | 88% | 0.875 | 77% | 0.765 | S | S | * | * | trans | 78.5 | 146.4 | 167.6 | -56.5 | -82.3 | 0 | 0 | 0 | 116.3 | ||||
| 642 | A | 29.6 | Very low | 30.5 | Very low | 79 Ų | 79 | 126.7 Ų | 126.7 | 65% | 0.653 | 76% | 0.757 | S | S | * | * | cis | -178.6 | 150.8 | -28.8 | 0 | 0 | 0 | 0 | 0 | 103.1 | ||||
| 643 | D | 29.2 | Very low | 30.5 | Very low | 161 Ų | 161 | 131.3 Ų | 131.3 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | trans | 83.8 | 139.2 | 139.6 | -133.7 | -1.5 | 0 | 0 | 0 | 120.9 | ||||
| 644 | G | 27.9 | Very low | 30 | Very low | 48 Ų | 48 | 133.2 Ų | 133.2 | 50% | 0.495 | 77% | 0.772 | S | S | . | * | trans | 98.5 | 96.2 | 141.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 645 | T | 29.2 | Very low | 29.9 | Very low | 143 Ų | 143 | 130 Ų | 130 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | 55.8 | 136.4 | 86.8 | 60.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 646 | A | 28.3 | Very low | 29.9 | Very low | 76 Ų | 76 | 129.8 Ų | 129.8 | 63% | 0.628 | 77% | 0.769 | S | S | * | * | cis | -168.3 | 158.8 | -0.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 647 | T | 27.6 | Very low | 30 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | trans | 43.6 | 127.9 | 138 | 57.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 648 | W | 27.4 | Very low | 30.2 | Very low | 228 Ų | 228 | 137.7 Ų | 137.7 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | 170.5 | 150 | 97.8 | -96.3 | 92.8 | 0 | 0 | 0 | 112.4 | |||||
| 649 | H | 31.8 | Very low | 30 | Very low | 163 Ų | 163 | 135.9 Ų | 135.9 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -61 | 153.7 | -175.3 | -69 | -72.6 | 0 | 0 | 0 | 116.9 | ||||
| 650 | Q | 27.5 | Very low | 30.1 | Very low | 198 Ų | 198 | 141.9 Ų | 141.9 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | trans | -161.3 | 116 | 136.4 | -109.2 | 171.7 | 32.1 | 0 | 0 | 112.2 | ||||
| 651 | T | 31.2 | Very low | 30.1 | Very low | 127 Ų | 127 | 146.8 Ų | 146.8 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | trans | -79.5 | -176.5 | 148.7 | 42.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 652 | P | 48.5 | Very low | 30 | Very low | 107 Ų | 107 | 141 Ų | 141 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | cis | -143.5 | 178.9 | 7.5 | 28.8 | -2.9 | 0 | 0 | 0 | 115.7 | ||||
| 653 | K | 27.4 | Very low | 29.9 | Very low | 206 Ų | 206 | 146.9 Ų | 146.9 | 90% | 0.896 | 80% | 0.795 | S | S | * | * | 156.1 | 153.8 | 120.6 | -87.6 | -175.1 | 178.2 | 176 | 0 | 115.1 | |||||
| 654 | V | 32.5 | Very low | 29.9 | Very low | 141 Ų | 141 | 148.7 Ų | 148.7 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | -106.3 | 151.3 | -164.1 | 167.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 655 | S | 28.6 | Very low | 29.9 | Very low | 122 Ų | 122 | 155.5 Ų | 155.5 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | 170 | 150.5 | 139 | 54.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 656 | G | 28.4 | Very low | 29.7 | Very low | 70 Ų | 70 | 158.7 Ų | 158.7 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | cis | 168.6 | 127.7 | -2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 657 | R | 31 | Very low | 29.7 | Very low | 224 Ų | 224 | 159.4 Ų | 159.4 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | 51.9 | 125.2 | 140.2 | -79.8 | -178.5 | 171 | 176.5 | 0.1 | 124.3 | ||||
| 658 | K | 30.9 | Very low | 29.7 | Very low | 189 Ų | 189 | 161.2 Ų | 161.2 | 82% | 0.822 | 82% | 0.819 | S | S | * | * | 121.1 | 134.1 | 104.1 | -97.6 | -178 | 179 | -172.3 | 0 | 120.5 | |||||
| 659 | G | 26.8 | Very low | 29.8 | Very low | 77 Ų | 77 | 155 Ų | 155 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | 111.1 | 112.8 | 147.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 660 | Q | 29.3 | Very low | 29.8 | Very low | 190 Ų | 190 | 152.5 Ų | 152.5 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | cis | 95.3 | 112 | 25.8 | -150.3 | -171.9 | 23.7 | 0 | 0 | 116 | ||||
| 661 | K | 29.4 | Very low | 29.9 | Very low | 198 Ų | 198 | 151.1 Ų | 151.1 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | trans | 153.1 | 150 | 139.7 | -88.6 | 177.6 | -178.5 | 179.6 | 0 | 110.5 | ||||
| 662 | S | 27.1 | Very low | 29.9 | Very low | 101 Ų | 101 | 149.9 Ų | 149.9 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | cis | 168.2 | 134 | -33.3 | 56.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 663 | K | 28 | Very low | 29 | Very low | 203 Ų | 203 | 151.6 Ų | 151.6 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | -170.7 | 100.6 | 150 | -106.9 | 175.5 | -177.8 | 179.1 | 0 | 108.3 | ||||
| 664 | K | 29.6 | Very low | 29 | Very low | 200 Ų | 200 | 148.4 Ų | 148.4 | 87% | 0.87 | 82% | 0.819 | S | S | * | * | 56.7 | 137.2 | 104.5 | -89.8 | -169.5 | 174.4 | 177 | 0 | 114.5 | |||||
| 665 | K | 26.3 | Very low | 28.8 | Very low | 191 Ų | 191 | 145.9 Ų | 145.9 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | cis | 177.1 | 132.8 | -12.3 | -163.8 | -175.5 | -171.7 | -170.6 | 0 | 105 | ||||
| 666 | K | 26.2 | Very low | 29.1 | Very low | 209 Ų | 209 | 147.8 Ų | 147.8 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | -169.1 | 145.9 | 139.5 | -116.7 | -178.8 | 177.7 | -174.8 | 0 | 111.1 | ||||
| 667 | S | 28.6 | Very low | 29.4 | Very low | 92 Ų | 92 | 152.9 Ų | 152.9 | 64% | 0.643 | 81% | 0.81 | S | S | * | * | trans | -86.8 | 152 | -166.3 | 52 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 668 | D | 27.7 | Very low | 29.1 | Very low | 150 Ų | 150 | 150.7 Ų | 150.7 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | -178.8 | 146.9 | 103.8 | -87 | -11.9 | 0 | 0 | 0 | 112 | |||||
| 669 | A | 28.3 | Very low | 29.1 | Very low | 96 Ų | 96 | 147.7 Ų | 147.7 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | trans | 50.6 | 137.8 | 152.1 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 670 | S | 33.2 | Very low | 29.1 | Very low | 111 Ų | 111 | 149.6 Ų | 149.6 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | -40.8 | 133.4 | 171.1 | 49.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 671 | D | 28.2 | Very low | 29.3 | Very low | 169 Ų | 169 | 148.5 Ų | 148.5 | 90% | 0.904 | 80% | 0.8 | S | S | * | * | trans | -112.9 | 115 | 155.3 | -88.8 | -28.5 | 0 | 0 | 0 | 110.5 | ||||
| 672 | S | 31.3 | Very low | 29.6 | Very low | 101 Ų | 101 | 145.7 Ų | 145.7 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -77.4 | 145.2 | 166 | 47.3 | 0 | 0 | 0 | 0 | 110.6 | T674 | S672-T674 PolarHBondContact O-N 3.36Š| ||
| 673 | T | 30.2 | Very low | 30 | Very low | 144 Ų | 144 | 155.2 Ų | 155.2 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | trans | -36.7 | 119.2 | 169.6 | 45.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 674 | T | 28.1 | Very low | 30.1 | Very low | 139 Ų | 139 | 152.8 Ų | 152.8 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | -79.5 | 121.4 | 173.6 | 35.8 | 0 | 0 | 0 | 0 | 111.2 | S672 | S672-T674 PolarHBondContact O-N 3.36Š| ||
| 675 | S | 27.9 | Very low | 30.1 | Very low | 88 Ų | 88 | 150.3 Ų | 150.3 | 62% | 0.615 | 81% | 0.814 | S | S | * | * | trans | -81.5 | 135.7 | 171.9 | 58.6 | 0 | 0 | 0 | 0 | 110.8 | F677 | S675-F677 PolarHBondContact O-N 3.17Š| ||
| 676 | L | 34.7 | Very low | 30.3 | Very low | 162 Ų | 162 | 148.1 Ų | 148.1 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -73 | 15.5 | -169.5 | -135.8 | 101.7 | 0 | 0 | 0 | 116.4 | ||
| 677 | F | 34.2 | Very low | 30.5 | Very low | 176 Ų | 176 | 144.5 Ų | 144.5 | 77% | 0.772 | 81% | 0.807 | S | S | * | * | trans | -145.3 | 88.8 | 177.3 | -70.8 | -81.5 | 0 | 0 | 0 | 109.7 | S675 | S675-F677 PolarHBondContact O-N 3.17Š| ||
| 678 | E | 26.1 | Very low | 30.7 | Very low | 179 Ų | 179 | 147.8 Ų | 147.8 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | trans | -98.3 | 114.9 | 160 | -91.7 | -173.9 | 164.5 | 0 | 0 | 109.1 | ||||
| 679 | V | 29.8 | Very low | 30.9 | Very low | 125 Ų | 125 | 147.6 Ų | 147.6 | 76% | 0.758 | 82% | 0.818 | S | S | * | * | trans | -77.1 | 126 | 167.3 | 177.9 | 0 | 0 | 0 | 0 | 107.1 | E681 | V679-E681 PolarHBondContact O-N 3.33Å; V679-E681 VanDerWaalsContact O-N 3.13Å | ||
| 680 | P | 26.1 | Very low | 31 | Very low | 118 Ų | 118 | 151.3 Ų | 151.3 | 77% | 0.766 | 82% | 0.82 | S | S | * | * | trans | -67.8 | 112.7 | 170.5 | -18 | 31.2 | 0 | 0 | 0 | 109.7 | V682 | P680-V682 PolarHBondContact O-N 3.2Š| ||
| 681 | E | 34.1 | Very low | 30.9 | Very low | 166 Ų | 166 | 154.4 Ų | 154.4 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | trans | -67.9 | 92.2 | 166.2 | -79.3 | -172.6 | 151.6 | 0 | 0 | 109.8 | V679 | V679-E681 PolarHBondContact O-N 3.33Å; V679-E681 VanDerWaalsContact O-N 3.13Å | ||
| 682 | V | 35.3 | Very low | 31.1 | Very low | 140 Ų | 140 | 153.2 Ų | 153.2 | 85% | 0.848 | 82% | 0.817 | S | S | * | * | trans | -143.3 | 108.9 | 142.3 | -170.1 | 0 | 0 | 0 | 0 | 106.4 | P680 | P680-V682 PolarHBondContact O-N 3.2Š| ||
| 683 | W | 35.4 | Very low | 31.1 | Very low | 300 Ų | 300 | 157.9 Ų | 157.9 | 100% | 1.136 | 83% | 0.827 | S | S | * | * | trans | -74.2 | 0 | -174.6 | -73.4 | 61.6 | 0 | 0 | 0 | 112.9 |
Retrieved 683 of 683 residues in 910.8 ms
(Link to these results)