| 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 | 32.9 | Very low | 64.2 | Low | 189 Ų | 189 | 104.9 Ų | 104.9 | 93% | 0.931 | 55% | 0.553 | S | S | * | * | 0 | 123.7 | 0 | -60.6 | -172.8 | 88 | 0 | 0 | 105.8 | K3 | M1-K3 PolarHBondContact O-N 3.21Š| |||
| 2 | S | 39.2 | Very low | 66.3 | Low | 113 Ų | 113 | 97 Ų | 97 | 79% | 0.79 | 51% | 0.51 | S | S | * | . | trans | -56.8 | 137.1 | 165.9 | 36.7 | 0 | 0 | 0 | 0 | 107.2 | E4 | S2-E4 PolarHBondContact O-N 3.3Š| ||
| 3 | K | 45.3 | Very low | 67.9 | Low | 203 Ų | 203 | 93.2 Ų | 93.2 | 88% | 0.883 | 50% | 0.501 | S | S | * | . | trans | -54.1 | 114 | 173.4 | -75 | -178.6 | 175.5 | -179.9 | 0 | 106.9 | M1 T5 | M1-K3 PolarHBondContact O-N 3.21Å; K3-T5 PolarHBondContact O-N 3.03Å | ||
| 4 | E | 54.7 | Low | 69.5 | Low | 46 Ų | 46 | 92.5 Ų | 92.5 | 22% | 0.215 | 50% | 0.497 | C | S | . | . | trans | -54.9 | 124 | 174.3 | -79.4 | -179.8 | 162.7 | 0 | 0 | 107.7 | S2 L8 K9 | S2-E4 PolarHBondContact O-N 3.3Å; E4-L8 HydrophobicContact CB-CB 4.43Å; E4-K9 HydrophobicContact CB-CG 4.15Å | ||
| 5 | T | 67.2 | Low | 71 | Confident | 64 Ų | 64 | 86.4 Ų | 86.4 | 39% | 0.393 | 46% | 0.464 | S | S | . | . | trans | -61.4 | 150.8 | 176.6 | 48.6 | 0 | 0 | 0 | 0 | 109.2 | K3 Q7 L8 K9 | K3-T5 PolarHBondContact O-N 3.03Å; T5-Q7 PolarHBondContact O-N 3.4Å; T5-Q7 VanDerWaalsContact O-N 3.11Å; T5-L8 WeakPolarHBondContact O-CB 3.45Å; T5-L8 PolarHBondContact O-N 3.31Å; T5-K9 PolarHBondContact O-N 3.22Å; T5-K9 VanDerWaalsContact O-N 3.14Å | ||
| 6 | P | 66.8 | Low | 72.3 | Confident | 105 Ų | 105 | 81.3 Ų | 81.3 | 68% | 0.682 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -50.9 | -38 | 176.5 | -26.6 | 33.8 | 0 | 0 | 0 | 112.4 | L8 K9 T10 | P6-L8 PolarHBondContact O-N 3.49Å; P6-K9 PolarHBondContact O-N 3.27Å; P6-T10 PolarHBondContact O-N 3.02Å; P6-T10 PolarHBondContact O-OG1 3.21Å |
| 7 | Q | 71.9 | Confident | 73.5 | Confident | 157 Ų | 157 | 83 Ų | 83 | 73% | 0.734 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -58.2 | -44.5 | 174.5 | -68.7 | 163.7 | -14.1 | 0 | 0 | 112.9 | T5 K9 T10 L11 | T5-Q7 PolarHBondContact O-N 3.4Å; T5-Q7 VanDerWaalsContact O-N 3.11Å; Q7-K9 VanDerWaalsContact C-N 3.35Å; Q7-T10 PolarHBondContact O-N 2.68Å; Q7-L11 WeakPolarHBondContact O-CB 3.44Å; Q7-L11 PolarHBondContact O-N 3.44Å |
| 8 | L | 78.9 | Confident | 74.5 | Confident | 59 Ų | 59 | 83.4 Ų | 83.4 | 31% | 0.309 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.8 | -37.1 | 177.4 | -112.7 | 147.1 | 0 | 0 | 0 | 111.9 | E4 T5 P6 R12 Y345 | E4-L8 HydrophobicContact CB-CB 4.43Å; T5-L8 WeakPolarHBondContact O-CB 3.45Å; T5-L8 PolarHBondContact O-N 3.31Å; P6-L8 PolarHBondContact O-N 3.49Å; L8-R12 WeakPolarHBondContact O-CB 3.23Å; L8-R12 PolarHBondContact O-N 3.09Å; L8-Y345 HydrophobicContact CD2-CE1 3.85Å |
| 9 | K | 78.3 | Confident | 75.4 | Confident | 83 Ų | 83 | 79.2 Ų | 79.2 | 36% | 0.361 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.2 | -43.2 | 175.1 | -68.7 | -167.8 | 178.8 | -167.6 | 0 | 111.9 | E4 T5 P6 Q7 R12 A13 A41 | E4-K9 HydrophobicContact CB-CG 4.15Å; T5-K9 PolarHBondContact O-N 3.22Å; T5-K9 VanDerWaalsContact O-N 3.14Å; P6-K9 PolarHBondContact O-N 3.27Å; Q7-K9 VanDerWaalsContact C-N 3.35Å; K9-R12 PolarHBondContact O-N 3.26Å; K9-A13 PolarHBondContact O-N 3.17Å; K9-A41 PolarHBondContact NZ-O 2.93Å; K9-A41 VanDerWaalsContact NZ-O 3.11Å |
| 10 | T | 82.6 | Confident | 76.2 | Confident | 84 Ų | 84 | 76.7 Ų | 76.7 | 52% | 0.515 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.9 | -47.4 | 176.4 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | P6 Q7 R12 A13 N14 | P6-T10 PolarHBondContact O-N 3.02Å; P6-T10 PolarHBondContact O-OG1 3.21Å; Q7-T10 PolarHBondContact O-N 2.68Å; T10-R12 VanDerWaalsContact C-N 3.27Å; T10-R12 PolarHBondContact O-N 2.67Å; T10-A13 PolarHBondContact O-N 3.46Å; T10-N14 VanDerWaalsContact O-CG 3.28Å; T10-N14 PolarHBondContact O-N 3.07Å; T10-N14 PolarHBondContact O-OD1 2.74Å |
| 11 | L | 88.8 | Confident | 77.1 | Confident | 51 Ų | 51 | 73 Ų | 73 | 27% | 0.267 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -57 | -44.6 | 176.4 | 177.9 | 60.5 | 0 | 0 | 0 | 111.1 | Q7 N14 I15 Y345 A346 | Q7-L11 WeakPolarHBondContact O-CB 3.44Å; Q7-L11 PolarHBondContact O-N 3.44Å; L11-N14 WeakPolarHBondContact O-CB 3.31Å; L11-N14 PolarHBondContact O-N 2.85Å; L11-I15 HydrophobicContact CD1-CD1 4.32Å; L11-I15 HydrophobicContact CG-CD1 3.97Å; L11-I15 VanDerWaalsContact O-CG1 3.29Å; L11-I15 WeakPolarHBondContact O-CG1 3.4Å; L11-I15 PolarHBondContact O-N 3.23Å; L11-Y345 HydrophobicContact CD2-CD1 4.1Å; L11-Y345 HydrophobicContact CD2-CE1 4.14Å; L11-A346 HydrophobicContact CD1-CB 4.1Å; L11-A346 HydrophobicContact CD2-CB 4.17Å |
| 12 | R | 88.7 | Confident | 79.8 | Confident | 10 Ų | 10 | 67.4 Ų | 67.4 | 4% | 0.038 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 177.4 | -179.2 | 179.9 | 170.4 | -153.7 | -13.6 | 112.9 | L8 K9 T10 N14 I15 E16 E54 Y56 R361 | L8-R12 WeakPolarHBondContact O-CB 3.23Å; L8-R12 PolarHBondContact O-N 3.09Å; K9-R12 PolarHBondContact O-N 3.26Å; T10-R12 VanDerWaalsContact C-N 3.27Å; T10-R12 PolarHBondContact O-N 2.67Å; R12-N14 VanDerWaalsContact C-N 3.27Å; R12-N14 PolarHBondContact O-N 3.31Å; R12-I15 WeakPolarHBondContact O-CB 3.41Å; R12-I15 PolarHBondContact O-N 2.84Å; R12-E16 IonicContact CZ-OE1 3.45Å; R12-E16 IonicContact NE-OE1 2.84Å; R12-E16 PolarHBondContact NE-OE1 2.63Å; R12-E16 VanDerWaalsContact NE-OE1 3.16Å; R12-E16 IonicContact NE-OE2 3.31Å; R12-E16 IonicContact NH2-OE1 2.63Å; R12-E16 PolarHBondContact NH2-OE1 3.27Å; R12-E16 WeakPolarHBondContact O-CG 3.27Å; R12-E16 PolarHBondContact O-N 3.16Å; R12-E54 IonicContact CZ-OE1 3.54Å; R12-E54 IonicContact CZ-OE2 2.91Å; R12-E54 IonicContact NH1-OE1 3.72Å; R12-E54 PolarHBondContact NH1-OE1 3.17Å; R12-E54 IonicContact NH1-OE2 3.88Å; R12-E54 PolarHBondContact NH1-OE2 3.15Å; R12-E54 IonicContact NH2-OE1 2.73Å; R12-E54 PolarHBondContact NH2-OE1 2.85Å; R12-E54 IonicContact NH2-OE2 3.51Å; R12-E54 PolarHBondContact NH2-OE2 3.29Å; R12-Y56 PolarHBondContact NH2-OH 3.46Å; R12-R361 VanDerWaalsContact NH1-CZ 3.32Å |
| 13 | A | 86.8 | Confident | 82.3 | Confident | 48 Ų | 48 | 65.1 Ų | 65.1 | 40% | 0.397 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.3 | -39 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | K9 T10 E16 H17 | K9-A13 PolarHBondContact O-N 3.17Å; T10-A13 PolarHBondContact O-N 3.46Å; A13-E16 PolarHBondContact O-N 3.13Å; A13-H17 WeakPolarHBondContact O-CB 3.41Å; A13-H17 PolarHBondContact O-N 3.02Å |
| 14 | N | 90.4 | Very high | 84.3 | Confident | 83 Ų | 83 | 57.2 Ų | 57.2 | 44% | 0.444 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 175 | -66.3 | -12 | 0 | 0 | 0 | 111.9 | T10 L11 R12 H17 R18 | T10-N14 VanDerWaalsContact O-CG 3.28Å; T10-N14 PolarHBondContact O-N 3.07Å; T10-N14 PolarHBondContact O-OD1 2.74Å; L11-N14 WeakPolarHBondContact O-CB 3.31Å; L11-N14 PolarHBondContact O-N 2.85Å; R12-N14 VanDerWaalsContact C-N 3.27Å; R12-N14 PolarHBondContact O-N 3.31Å; N14-H17 PolarHBondContact O-N 3.01Å; N14-R18 WeakPolarHBondContact O-CG 3.36Å; N14-R18 PolarHBondContact O-N 3.31Å; N14-R18 VanDerWaalsContact O-N 3.07Å |
| 15 | I | 92.1 | Very high | 85.8 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.2 | -50.1 | 174.1 | -67.9 | 159.5 | 0 | 0 | 0 | 109.8 | L11 R12 H17 R18 F19 Y345 | L11-I15 HydrophobicContact CD1-CD1 4.32Å; L11-I15 HydrophobicContact CG-CD1 3.97Å; L11-I15 VanDerWaalsContact O-CG1 3.29Å; L11-I15 WeakPolarHBondContact O-CG1 3.4Å; L11-I15 PolarHBondContact O-N 3.23Å; R12-I15 WeakPolarHBondContact O-CB 3.41Å; R12-I15 PolarHBondContact O-N 2.84Å; I15-H17 VanDerWaalsContact C-N 3.3Å; I15-H17 PolarHBondContact O-N 3.46Å; I15-R18 PolarHBondContact O-N 3.48Å; I15-F19 HydrophobicContact CG2-CD2 4.3Å; I15-F19 HydrophobicContact CG2-CE2 4.32Å; I15-F19 WeakPolarHBondContact O-CD2 3.2Å; I15-F19 PolarHBondContact O-N 3Å; I15-Y345 HydrophobicContact CD1-CE1 4.2Å; I15-Y345 WeakPolarHBondContact CD1-O 3.18Å |
| 16 | E | 91.9 | Very high | 86.8 | Confident | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.019 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.5 | -38.7 | -179.4 | -70.5 | 166 | 147.4 | 0 | 0 | 112.2 | R12 A13 F19 G20 Y21 Y56 K66 Q362 | R12-E16 IonicContact CZ-OE1 3.45Å; R12-E16 IonicContact NE-OE1 2.84Å; R12-E16 PolarHBondContact NE-OE1 2.63Å; R12-E16 VanDerWaalsContact NE-OE1 3.16Å; R12-E16 IonicContact NE-OE2 3.31Å; R12-E16 IonicContact NH2-OE1 2.63Å; R12-E16 PolarHBondContact NH2-OE1 3.27Å; R12-E16 WeakPolarHBondContact O-CG 3.27Å; R12-E16 PolarHBondContact O-N 3.16Å; A13-E16 PolarHBondContact O-N 3.13Å; E16-F19 CarbonylContact O-C 3.57Å; E16-F19 PolarHBondContact O-N 3.13Å; E16-G20 PolarHBondContact O-N 3Å; E16-Y21 PolarHBondContact O-N 3.43Å; E16-Y56 PolarHBondContact OE1-OH 3Å; E16-K66 VanDerWaalsContact CD-NZ 3.27Å; E16-K66 IonicContact OE1-NZ 3.78Å; E16-K66 IonicContact OE2-NZ 2.92Å; E16-K66 PolarHBondContact OE2-NZ 2.94Å; E16-Q362 HydrophobicContact CG-CB 4.28Å |
| 17 | H | 92.3 | Very high | 87.9 | Confident | 111 Ų | 111 | 61.6 Ų | 61.6 | 51% | 0.514 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.2 | -46.4 | 173.8 | 179.7 | 60.4 | 0 | 0 | 0 | 112.3 | A13 N14 I15 F19 G20 D22 | A13-H17 WeakPolarHBondContact O-CB 3.41Å; A13-H17 PolarHBondContact O-N 3.02Å; N14-H17 PolarHBondContact O-N 3.01Å; I15-H17 VanDerWaalsContact C-N 3.3Å; I15-H17 PolarHBondContact O-N 3.46Å; H17-F19 PolarHBondContact O-N 3.32Å; H17-F19 VanDerWaalsContact O-N 3.16Å; H17-G20 PolarHBondContact O-N 3.41Å; H17-D22 WeakPolarHBondContact CB-OD1 3.41Å; H17-D22 IonicContact CE1-OD1 3.93Å; H17-D22 IonicContact CE1-OD2 2.7Å; H17-D22 IonicContact CG-OD1 3.27Å; H17-D22 VanDerWaalsContact ND1-CG 3.26Å; H17-D22 IonicContact ND1-OD1 3.52Å; H17-D22 PolarHBondContact ND1-OD1 2.84Å; H17-D22 IonicContact ND1-OD2 2.72Å; H17-D22 PolarHBondContact ND1-OD2 2.96Å |
| 18 | R | 91.6 | Very high | 88.7 | Confident | 91 Ų | 91 | 55.6 Ų | 55.6 | 34% | 0.343 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.3 | -26.3 | 176.4 | -72.1 | -169.9 | -56.1 | -126 | 5.5 | 113.2 | N14 I15 Q313 A346 A347 | N14-R18 WeakPolarHBondContact O-CG 3.36Å; N14-R18 PolarHBondContact O-N 3.31Å; N14-R18 VanDerWaalsContact O-N 3.07Å; I15-R18 PolarHBondContact O-N 3.48Å; R18-Q313 VanDerWaalsContact CD-OE1 3.3Å; R18-A346 PolarHBondContact NH2-O 3.3Å; R18-A347 PolarHBondContact NH2-O 3.29Å |
| 19 | F | 92.3 | Very high | 89.4 | Confident | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.009 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 5.4 | 177.6 | -76.1 | -108 | 0 | 0 | 0 | 113.4 | I15 E16 H17 Y21 F312 A316 P317 Q362 | I15-F19 HydrophobicContact CG2-CD2 4.3Å; I15-F19 HydrophobicContact CG2-CE2 4.32Å; I15-F19 WeakPolarHBondContact O-CD2 3.2Å; I15-F19 PolarHBondContact O-N 3Å; E16-F19 CarbonylContact O-C 3.57Å; E16-F19 PolarHBondContact O-N 3.13Å; H17-F19 PolarHBondContact O-N 3.32Å; H17-F19 VanDerWaalsContact O-N 3.16Å; F19-Y21 VanDerWaalsContact C-N 3.32Å; F19-Y21 HydrophobicContact CB-CD2 4.14Å; F19-Y21 PolarHBondContact O-N 2.91Å; F19-F312 HydrophobicContact CE1-CD1 4.09Å; F19-F312 AromaticContact CE1-CE1 3.58Å; F19-F312 HydrophobicContact CE1-CE1 3.58Å; F19-F312 AromaticContact CZ-CD1 3.76Å; F19-F312 HydrophobicContact CZ-CD1 3.76Å; F19-F312 AromaticContact CZ-CE1 3.5Å; F19-F312 HydrophobicContact CZ-CE1 3.5Å; F19-F312 VanDerWaalsContact CZ-CE1 3.5Å; F19-A316 HydrophobicContact CB-CB 4.5Å; F19-A316 HydrophobicContact CD1-CB 4.23Å; F19-A316 HydrophobicContact CG-CB 4.44Å; F19-P317 HydrophobicContact CE1-CG 4.29Å; F19-Q362 HydrophobicContact CB-CG 3.85Å; F19-Q362 HydrophobicContact CD1-CG 4.12Å; F19-Q362 HydrophobicContact CD2-CG 4.31Å; F19-Q362 HydrophobicContact CG-CG 3.83Å |
| 20 | G | 91.6 | Very high | 90.1 | Very high | 29 Ų | 29 | 58.9 Ų | 58.9 | 30% | 0.299 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 8.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115 | E16 H17 D22 K64 | E16-G20 PolarHBondContact O-N 3Å; H17-G20 PolarHBondContact O-N 3.41Å; G20-D22 VanDerWaalsContact C-N 3.29Å; G20-D22 PolarHBondContact O-N 3.34Å; G20-K64 CarbonylContact O-C 3.53Å; G20-K64 WeakPolarHBondContact O-CB 3.5Å |
| 21 | Y | 94.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | trans | -93.5 | 53.8 | -179.9 | -73.3 | -73 | 0 | 0 | 0 | 112.4 | E16 F19 Y56 K64 F65 K66 D318 Q362 | E16-Y21 PolarHBondContact O-N 3.43Å; F19-Y21 VanDerWaalsContact C-N 3.32Å; F19-Y21 HydrophobicContact CB-CD2 4.14Å; F19-Y21 PolarHBondContact O-N 2.91Å; Y21-Y56 AromaticContact CD1-CD1 3.62Å; Y21-Y56 HydrophobicContact CD1-CD1 3.62Å; Y21-Y56 HydrophobicContact CD1-CG 4.35Å; Y21-Y56 HydrophobicContact CD2-CD1 4.32Å; Y21-Y56 HydrophobicContact CE1-CD1 4.12Å; Y21-Y56 AromaticContact CG-CD1 3.71Å; Y21-Y56 HydrophobicContact CG-CD1 3.71Å; Y21-Y56 HydrophobicContact CG-CE1 4.33Å; Y21-K64 HydrophobicContact CD1-CB 4.1Å; Y21-K64 HydrophobicContact CE1-CB 3.93Å; Y21-K64 HydrophobicContact CE1-CG 4.45Å; Y21-K64 HydrophobicContact CE2-CD 4.08Å; Y21-F65 WeakPolarHBondContact CD1-O 3.42Å; Y21-K66 VanDerWaalsContact O-CD 3.28Å; Y21-K66 WeakPolarHBondContact O-CD 3.39Å; Y21-K66 WeakPolarHBondContact O-CE 3.21Å; Y21-K66 VanDerWaalsContact O-CG 3.3Å; Y21-K66 WeakPolarHBondContact O-CG 3.17Å; Y21-D318 PolarHBondContact OH-OD1 3.07Å; Y21-Q362 HydrophobicContact CD2-CB 3.75Å; Y21-Q362 HydrophobicContact CE2-CB 4.3Å; Y21-Q362 VanDerWaalsContact CE2-O 3.31Å; Y21-Q362 WeakPolarHBondContact CE2-O 3.42Å; Y21-Q362 HydrophobicContact CG-CB 4.38Å | ||
| 22 | D | 91 | Very high | 91 | Very high | 71 Ų | 71 | 55.4 Ų | 55.4 | 38% | 0.38 | 30% | 0.299 | S | S | . | . | trans | -67.6 | 147 | 175.9 | -74.5 | -51.6 | 0 | 0 | 0 | 112.2 | H17 G20 L24 K66 | H17-D22 WeakPolarHBondContact CB-OD1 3.41Å; H17-D22 IonicContact CE1-OD1 3.93Å; H17-D22 IonicContact CE1-OD2 2.7Å; H17-D22 IonicContact CG-OD1 3.27Å; H17-D22 VanDerWaalsContact ND1-CG 3.26Å; H17-D22 IonicContact ND1-OD1 3.52Å; H17-D22 PolarHBondContact ND1-OD1 2.84Å; H17-D22 IonicContact ND1-OD2 2.72Å; H17-D22 PolarHBondContact ND1-OD2 2.96Å; G20-D22 VanDerWaalsContact C-N 3.29Å; G20-D22 PolarHBondContact O-N 3.34Å; D22-L24 PolarHBondContact O-N 2.96Å; D22-K66 PolarHBondContact O-N 2.71Å | ||
| 23 | L | 90.8 | Very high | 91.3 | Very high | 65 Ų | 65 | 55 Ų | 55 | 34% | 0.34 | 30% | 0.297 | S | S | . | . | B | Isolated β-bridge | trans | -76.4 | 112.8 | 170.9 | -171.8 | 71.2 | 0 | 0 | 0 | 108.7 | K25 K66 L68 | L23-K25 PolarHBondContact O-N 3.09Å; L23-K66 HydrophobicContact CB-CG 4.44Å; L23-K66 HydrophobicContact CD1-CG 4.24Å; L23-L68 HydrophobicContact CD1-CD1 3.83Å; L23-L68 HydrophobicContact CD1-CG 3.82Å; L23-L68 HydrophobicContact CD2-CD1 3.91Å |
| 24 | L | 88 | Confident | 91.7 | Very high | 37 Ų | 37 | 52.7 Ų | 52.7 | 19% | 0.194 | 28% | 0.278 | C | S | . | . | trans | -62.4 | 135.9 | -179.1 | -63.1 | 179.6 | 0 | 0 | 0 | 111.3 | D22 V28 K30 F65 L67 D212 G213 | D22-L24 PolarHBondContact O-N 2.96Å; L24-V28 HydrophobicContact CB-CG2 4.32Å; L24-V28 HydrophobicContact CD1-CB 4.5Å; L24-V28 HydrophobicContact CD1-CG1 4.04Å; L24-V28 HydrophobicContact CD1-CG2 4.47Å; L24-K30 HydrophobicContact CD1-CD 4.03Å; L24-F65 HydrophobicContact CD1-CB 3.84Å; L24-F65 HydrophobicContact CD1-CD1 4.21Å; L24-F65 HydrophobicContact CD1-CD2 3.35Å; L24-F65 HydrophobicContact CD1-CE2 3.87Å; L24-F65 HydrophobicContact CD1-CG 3.55Å; L24-F65 HydrophobicContact CD1-CZ 4.48Å; L24-F65 HydrophobicContact CD2-CB 3.85Å; L24-F65 HydrophobicContact CD2-CG 4.43Å; L24-F65 HydrophobicContact CG-CB 3.72Å; L24-F65 HydrophobicContact CG-CD2 3.96Å; L24-F65 HydrophobicContact CG-CG 4.01Å; L24-L67 HydrophobicContact CB-CD2 4.06Å; L24-L67 HydrophobicContact CD1-CD2 4.31Å; L24-L67 HydrophobicContact CG-CD2 4.44Å; L24-D212 CarbonylContact O-C 3.52Å; L24-G213 WeakPolarHBondContact O-CA 3.4Å; L24-G213 PolarHBondContact O-N 3.25Å | ||
| 25 | K | 86.2 | Confident | 91.9 | Very high | 183 Ų | 183 | 48.9 Ų | 48.9 | 80% | 0.796 | 26% | 0.258 | S | S | * | . | trans | -107.1 | 156.9 | 176.5 | -64.6 | -178.5 | -178.6 | 175.5 | 0 | 110.6 | L23 | L23-K25 PolarHBondContact O-N 3.09Š| ||
| 26 | G | 88 | Confident | 92.1 | Very high | 29 Ų | 29 | 48.8 Ų | 48.8 | 30% | 0.299 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 76.4 | -172.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L211 D212 | G26-L211 WeakPolarHBondContact O-CA 3.15Å; G26-D212 WeakPolarHBondContact CA-OD1 3.37Å; G26-D212 PolarHBondContact N-OD1 2.97Å; G26-D212 PolarHBondContact O-N 3.42Å |
| 27 | S | 89.9 | Confident | 92.2 | Very high | 96 Ų | 96 | 49 Ų | 49 | 67% | 0.671 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 123.5 | 176 | -172.8 | 0 | 0 | 0 | 0 | 109.9 | A210 | S27-A210 CarbonylContact C-O 3.53Å; S27-A210 WeakPolarHBondContact CA-O 3.46Å |
| 28 | V | 89 | Confident | 92.3 | Very high | 30 Ų | 30 | 45 Ų | 45 | 18% | 0.182 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 136.9 | -177.5 | -176.3 | 0 | 0 | 0 | 0 | 110.3 | L24 K30 T209 A210 | L24-V28 HydrophobicContact CB-CG2 4.32Å; L24-V28 HydrophobicContact CD1-CB 4.5Å; L24-V28 HydrophobicContact CD1-CG1 4.04Å; L24-V28 HydrophobicContact CD1-CG2 4.47Å; V28-K30 HydrophobicContact CG1-CB 4.44Å; V28-K30 HydrophobicContact CG1-CD 3.71Å; V28-K30 HydrophobicContact CG1-CG 3.61Å; V28-T209 CarbonylContact O-C 3.55Å; V28-T209 WeakPolarHBondContact O-CA 3.18Å; V28-A210 PolarHBondContact N-O 3.45Å; V28-A210 PolarHBondContact O-N 3.07Å |
| 29 | Q | 93.3 | Very high | 92.4 | Very high | 154 Ų | 154 | 42 Ų | 42 | 72% | 0.72 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 117.4 | 168.9 | -170 | 176.7 | 14 | 0 | 0 | 108.8 | V208 | Q29-V208 WeakPolarHBondContact CA-O 3.4Å |
| 30 | K | 93.4 | Very high | 92.3 | Very high | 58 Ų | 58 | 42.6 Ų | 42.6 | 25% | 0.252 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 148.2 | -174.5 | -79.3 | -179.1 | 169.9 | -144.2 | 0 | 111.9 | L24 V28 E59 F65 V208 | L24-K30 HydrophobicContact CD1-CD 4.03Å; V28-K30 HydrophobicContact CG1-CB 4.44Å; V28-K30 HydrophobicContact CG1-CD 3.71Å; V28-K30 HydrophobicContact CG1-CG 3.61Å; K30-E59 VanDerWaalsContact CD-OE1 3.23Å; K30-E59 WeakPolarHBondContact CD-OE1 3.4Å; K30-E59 VanDerWaalsContact CE-OE1 3.27Å; K30-E59 WeakPolarHBondContact CE-OE1 3.08Å; K30-E59 IonicContact NZ-OE1 2.63Å; K30-E59 PolarHBondContact NZ-OE1 3.27Å; K30-E59 IonicContact NZ-OE2 2.96Å; K30-E59 PolarHBondContact NZ-OE2 3.28Å; K30-F65 HydrophobicContact CB-CE1 4.36Å; K30-F65 HydrophobicContact CB-CZ 4.09Å; K30-F65 HydrophobicContact CD-CD1 4.13Å; K30-F65 HydrophobicContact CD-CE1 3.66Å; K30-F65 HydrophobicContact CD-CZ 3.96Å; K30-V208 PolarHBondContact N-O 3.01Å; K30-V208 PolarHBondContact O-N 3.47Å |
| 31 | T | 94.5 | Very high | 92.2 | Very high | 61 Ų | 61 | 43.1 Ų | 43.1 | 37% | 0.374 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 117.2 | 168.5 | -55.4 | 0 | 0 | 0 | 0 | 108.8 | W205 Y206 N207 M224 | T31-W205 HydrophobicContact CG2-CE3 4.28Å; T31-Y206 WeakPolarHBondContact CA-O 3.32Å; T31-N207 WeakPolarHBondContact CB-OD1 3.42Å; T31-N207 WeakPolarHBondContact CG2-OD1 3.35Å; T31-N207 PolarHBondContact OG1-OD1 3.24Å; T31-M224 HydrophobicContact CG2-CE 3.87Å |
| 32 | A | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 156.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F57 E59 F65 Y206 | A32-F57 HydrophobicContact CB-CB 3.75Å; A32-F57 HydrophobicContact CB-CD1 3.85Å; A32-F57 HydrophobicContact CB-CG 4.1Å; A32-E59 HydrophobicContact CB-CG 4.16Å; A32-F65 HydrophobicContact CB-CE1 3.76Å; A32-F65 HydrophobicContact CB-CZ 3.7Å; A32-Y206 PolarHBondContact N-O 2.83Å; A32-Y206 PolarHBondContact O-N 3.34Å |
| 33 | W | 94.8 | Very high | 91.5 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 129.4 | 178.8 | -170.5 | 79.3 | 0 | 0 | 0 | 110.7 | I35 F57 I58 G203 W205 P228 F440 | W33-I35 HydrophobicContact CE3-CB 3.78Å; W33-I35 HydrophobicContact CE3-CG1 4.39Å; W33-I35 HydrophobicContact CH2-CG1 4.47Å; W33-I35 HydrophobicContact CZ3-CB 3.51Å; W33-I35 HydrophobicContact CZ3-CD1 3.96Å; W33-I35 HydrophobicContact CZ3-CG1 3.62Å; W33-I35 PolarHBondContact O-N 2.85Å; W33-F57 WeakPolarHBondContact O-CA 3.29Å; W33-I58 PolarHBondContact N-O 3.35Å; W33-I58 PolarHBondContact O-N 3.24Å; W33-G203 VanDerWaalsContact CZ2-CA 3.44Å; W33-G203 PolarHBondContact NE1-O 3.44Å; W33-W205 HydrophobicContact CB-CD2 3.77Å; W33-W205 HydrophobicContact CB-CE3 3.88Å; W33-W205 HydrophobicContact CB-CG 4.4Å; W33-W205 HydrophobicContact CB-CH2 3.99Å; W33-W205 HydrophobicContact CB-CZ2 3.92Å; W33-W205 HydrophobicContact CB-CZ3 3.98Å; W33-W205 AromaticContact CD1-CD1 3.57Å; W33-W205 AromaticContact CD1-CD2 4Å; W33-W205 AromaticContact CD1-CE2 3.78Å; W33-W205 AromaticContact CD1-CG 3.87Å; W33-W205 AromaticContact CD1-NE1 3.49Å; W33-W205 HydrophobicContact CG-CD2 4.3Å; W33-W205 HydrophobicContact CG-CZ2 4.44Å; W33-P228 HydrophobicContact CB-CG 3.77Å; W33-P228 HydrophobicContact CD2-CG 3.67Å; W33-P228 HydrophobicContact CE3-CG 3.69Å; W33-P228 HydrophobicContact CG-CG 3.73Å; W33-P228 HydrophobicContact CZ3-CG 4.38Å; W33-F440 AromaticContact CH2-CD1 3.34Å; W33-F440 HydrophobicContact CH2-CD1 3.34Å; W33-F440 HydrophobicContact CH2-CD2 4.3Å; W33-F440 AromaticContact CH2-CE1 3.32Å; W33-F440 HydrophobicContact CH2-CE1 3.32Å; W33-F440 HydrophobicContact CH2-CE2 4.28Å; W33-F440 AromaticContact CH2-CG 3.86Å; W33-F440 HydrophobicContact CH2-CG 3.86Å; W33-F440 AromaticContact CH2-CZ 3.82Å; W33-F440 HydrophobicContact CH2-CZ 3.82Å; W33-F440 HydrophobicContact CZ2-CB 4.48Å; W33-F440 AromaticContact CZ2-CD1 3.73Å; W33-F440 HydrophobicContact CZ2-CD1 3.73Å; W33-F440 HydrophobicContact CZ2-CE1 4.16Å; W33-F440 HydrophobicContact CZ2-CG 4.14Å; W33-F440 HydrophobicContact CZ3-CD1 4.41Å; W33-F440 HydrophobicContact CZ3-CE1 4.01Å; W33-F440 HydrophobicContact CZ3-CZ 4.36Å |
| 34 | L | 95.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 109.6 | -179.4 | 178.6 | 58.5 | 0 | 0 | 0 | 110.3 | N36 Y55 Y56 F57 V200 V202 G203 M204 Y206 | L34-N36 VanDerWaalsContact CD1-O 3.28Å; L34-N36 WeakPolarHBondContact CD1-O 3.37Å; L34-Y55 HydrophobicContact CD1-CD1 3.68Å; L34-Y55 HydrophobicContact CD1-CG 4.28Å; L34-Y55 HydrophobicContact CD2-CD1 3.63Å; L34-Y55 HydrophobicContact CD2-CE1 4Å; L34-Y55 HydrophobicContact CG-CD1 4.33Å; L34-Y56 WeakPolarHBondContact CD1-O 3.39Å; L34-F57 HydrophobicContact CB-CD1 4.19Å; L34-F57 HydrophobicContact CB-CE1 3.83Å; L34-F57 HydrophobicContact CD1-CD1 4.39Å; L34-F57 HydrophobicContact CD1-CE1 4.06Å; L34-F57 HydrophobicContact CD1-CZ 4.14Å; L34-F57 HydrophobicContact CG-CE1 4.46Å; L34-V200 HydrophobicContact CD2-CG1 3.71Å; L34-V202 HydrophobicContact CD2-CG2 4.3Å; L34-V202 HydrophobicContact CG-CG2 4.13Å; L34-G203 PolarHBondContact O-N 2.98Å; L34-M204 PolarHBondContact N-O 2.96Å; L34-Y206 HydrophobicContact CB-CD2 4.06Å; L34-Y206 HydrophobicContact CB-CE2 4.06Å; L34-Y206 HydrophobicContact CD2-CE2 4.25Å |
| 35 | I | 95.2 | Very high | 90.6 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -34.9 | -179.1 | -174 | 161.7 | 0 | 0 | 0 | 113.4 | W33 Y56 I58 V202 P230 D318 I319 F440 | W33-I35 HydrophobicContact CE3-CB 3.78Å; W33-I35 HydrophobicContact CE3-CG1 4.39Å; W33-I35 HydrophobicContact CH2-CG1 4.47Å; W33-I35 HydrophobicContact CZ3-CB 3.51Å; W33-I35 HydrophobicContact CZ3-CD1 3.96Å; W33-I35 HydrophobicContact CZ3-CG1 3.62Å; W33-I35 PolarHBondContact O-N 2.85Å; I35-Y56 VanDerWaalsContact CG2-O 3.3Å; I35-Y56 WeakPolarHBondContact CG2-O 3.39Å; I35-Y56 PolarHBondContact N-O 3.26Å; I35-I58 HydrophobicContact CB-CD1 4.11Å; I35-I58 HydrophobicContact CB-CG1 4.41Å; I35-I58 HydrophobicContact CD1-CD1 3.52Å; I35-I58 HydrophobicContact CG1-CD1 4.41Å; I35-I58 HydrophobicContact CG2-CD1 4.07Å; I35-I58 HydrophobicContact CG2-CG1 4.05Å; I35-V202 WeakPolarHBondContact O-CG1 3.31Å; I35-P230 HydrophobicContact CD1-CB 4.04Å; I35-D318 HydrophobicContact CD1-CB 3.74Å; I35-I319 HydrophobicContact CD1-CD1 4.1Å; I35-I319 HydrophobicContact CD1-CG1 4.19Å; I35-F440 HydrophobicContact CG1-CE1 4.28Å; I35-F440 HydrophobicContact CG1-CZ 4.12Å |
| 36 | N | 95 | Very high | 90.3 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 155.6 | -175.9 | -150.4 | -9.1 | 0 | 0 | 0 | 111.5 | L34 H38 Y56 R361 S364 E449 | L34-N36 VanDerWaalsContact CD1-O 3.28Å; L34-N36 WeakPolarHBondContact CD1-O 3.37Å; N36-H38 VanDerWaalsContact CG-NE2 3.33Å; N36-H38 PolarHBondContact ND2-NE2 2.9Å; N36-H38 VanDerWaalsContact ND2-NE2 3.14Å; N36-H38 PolarHBondContact OD1-NE2 2.83Å; N36-H38 VanDerWaalsContact OD1-NE2 3.13Å; N36-Y56 HydrophobicContact CB-CD2 4.15Å; N36-Y56 HydrophobicContact CB-CG 4.38Å; N36-Y56 PolarHBondContact O-N 3.01Å; N36-R361 PolarHBondContact ND2-O 3.27Å; N36-S364 PolarHBondContact ND2-OG 2.94Å; N36-S364 VanDerWaalsContact ND2-OG 3.16Å; N36-E449 WeakPolarHBondContact OD1-CB 3.4Å |
| 37 | C | 95.1 | Very high | 89.9 | Confident | 9 Ų | 9 | 47 Ų | 47 | 6% | 0.061 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 144.2 | 172.5 | 66.8 | 0 | 0 | 0 | 0 | 112.5 | V53 E54 Y55 | C37-V53 HydrophobicContact CB-CG1 4.16Å; C37-E54 CarbonylContact C-O 3.53Å; C37-E54 WeakPolarHBondContact CA-O 3.36Å; C37-E54 WeakPolarHBondContact CB-O 3.38Å; C37-Y55 HydrophobicContact CB-CD1 4Å; C37-Y55 HydrophobicContact CB-CE1 4.23Å |
| 38 | H | 94 | Very high | 89.6 | Confident | 26 Ų | 26 | 48.3 Ų | 48.3 | 12% | 0.12 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 142.5 | -174.8 | -71.4 | -83.7 | 0 | 0 | 0 | 112.6 | N36 V53 E54 Y56 R361 | N36-H38 VanDerWaalsContact CG-NE2 3.33Å; N36-H38 PolarHBondContact ND2-NE2 2.9Å; N36-H38 VanDerWaalsContact ND2-NE2 3.14Å; N36-H38 PolarHBondContact OD1-NE2 2.83Å; N36-H38 VanDerWaalsContact OD1-NE2 3.13Å; H38-V53 WeakPolarHBondContact O-CA 3.46Å; H38-E54 PolarHBondContact N-O 3.15Å; H38-E54 PolarHBondContact O-N 3.26Å; H38-Y56 AromaticContact CD2-CE2 3.87Å; H38-R361 HydrophobicContact CB-CG 4.36Å; H38-R361 PolarHBondContact NE2-O 2.92Å |
| 39 | A | 92.9 | Very high | 89.5 | Confident | 27 Ų | 27 | 49.4 Ų | 49.4 | 22% | 0.223 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 139.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y190 H191 R361 | A39-Y190 HydrophobicContact CB-CD1 3.87Å; A39-H191 HydrophobicContact CB-CB 4.35Å; A39-R361 PolarHBondContact O-NH1 2.84Å; A39-R361 PolarHBondContact O-NH2 2.68Å |
| 40 | T | 91.3 | Very high | 89.4 | Confident | 16 Ų | 16 | 42.9 Ų | 42.9 | 10% | 0.098 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 172.7 | 178.6 | -161.6 | 0 | 0 | 0 | 0 | 111.8 | A52 E54 L68 | T40-A52 CarbonylContact C-O 3.51Å; T40-A52 HydrophobicContact CG2-CB 3.88Å; T40-A52 WeakPolarHBondContact CG2-O 3.3Å; T40-A52 PolarHBondContact N-O 2.82Å; T40-A52 PolarHBondContact O-N 3.38Å; T40-E54 WeakPolarHBondContact CB-OE2 3.4Å; T40-E54 HydrophobicContact CG2-CG 3.76Å; T40-L68 HydrophobicContact CG2-CD2 3.99Å |
| 41 | A | 88.5 | Confident | 89.4 | Confident | 39 Ų | 39 | 40.3 Ų | 40.3 | 32% | 0.322 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 125.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | K9 V50 | K9-A41 PolarHBondContact NZ-O 2.93Å; K9-A41 VanDerWaalsContact NZ-O 3.11Å; A41-V50 CarbonylContact C-O 3.54Å; A41-V50 WeakPolarHBondContact CA-O 3.33Å |
| 42 | L | 87.4 | Confident | 89.4 | Confident | 41 Ų | 41 | 37.4 Ų | 37.4 | 22% | 0.215 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 168.5 | 176.1 | -55.5 | 177.3 | 0 | 0 | 0 | 110.1 | S49 V50 A52 L68 I70 | L42-S49 CarbonylContact O-C 3.54Å; L42-S49 WeakPolarHBondContact O-CA 3.31Å; L42-V50 PolarHBondContact N-O 3.09Å; L42-V50 PolarHBondContact O-N 3.11Å; L42-A52 HydrophobicContact CD1-CB 3.8Å; L42-A52 HydrophobicContact CG-CB 4.05Å; L42-L68 HydrophobicContact CD1-CD1 4.21Å; L42-L68 HydrophobicContact CD2-CD1 4.14Å; L42-I70 HydrophobicContact CD1-CD1 4.15Å; L42-I70 HydrophobicContact CD1-CG1 3.97Å |
| 43 | T | 83.8 | Confident | 89.4 | Confident | 94 Ų | 94 | 37.5 Ų | 37.5 | 58% | 0.577 | 23% | 0.232 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 128.8 | 169.2 | -45 | 0 | 0 | 0 | 0 | 107.8 | G47 R48 | T43-G47 VanDerWaalsContact CG2-C 3.46Å; T43-G47 WeakPolarHBondContact CG2-O 3.4Å; T43-R48 CarbonylContact C-O 3.58Å; T43-R48 WeakPolarHBondContact CA-O 3.49Å |
| 44 | N | 81.7 | Confident | 89.4 | Confident | 42 Ų | 42 | 37.9 Ų | 37.9 | 23% | 0.225 | 23% | 0.234 | C | C | . | . | trans | -77.8 | 178.3 | 174.4 | 76.2 | -10.9 | 0 | 0 | 0 | 111.5 | D46 G47 R48 V50 | N44-D46 PolarHBondContact ND2-OD2 2.94Å; N44-D46 VanDerWaalsContact ND2-OD2 3.11Å; N44-D46 PolarHBondContact O-N 3.33Å; N44-D46 PolarHBondContact OD1-N 3.4Å; N44-D46 VanDerWaalsContact OD1-N 3.08Å; N44-G47 PolarHBondContact O-N 3.4Å; N44-G47 VanDerWaalsContact O-N 3.1Å; N44-G47 PolarHBondContact OD1-N 3.41Å; N44-R48 PolarHBondContact N-O 3.07Å; N44-R48 WeakPolarHBondContact OD1-CA 3.48Å; N44-R48 WeakPolarHBondContact OD1-CB 3.41Å; N44-R48 PolarHBondContact OD1-N 2.84Å; N44-R48 PolarHBondContact OD1-O 3.42Å; N44-V50 HydrophobicContact CB-CG2 3.75Å | ||
| 45 | S | 78.8 | Confident | 89.4 | Confident | 120 Ų | 120 | 38.1 Ų | 38.1 | 84% | 0.839 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -29.3 | 175.9 | 46.6 | 0 | 0 | 0 | 0 | 113.6 | G47 | S45-G47 VanDerWaalsContact C-N 3.29Å; S45-G47 PolarHBondContact O-N 3.07Å |
| 46 | D | 78.6 | Confident | 89.4 | Confident | 114 Ų | 114 | 38 Ų | 38 | 61% | 0.61 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 5.3 | -176.6 | -41.3 | -35.9 | 0 | 0 | 0 | 112.6 | N44 R48 | N44-D46 PolarHBondContact ND2-OD2 2.94Å; N44-D46 VanDerWaalsContact ND2-OD2 3.11Å; N44-D46 PolarHBondContact O-N 3.33Å; N44-D46 PolarHBondContact OD1-N 3.4Å; N44-D46 VanDerWaalsContact OD1-N 3.08Å; D46-R48 VanDerWaalsContact C-N 3.28Å; D46-R48 PolarHBondContact O-N 3.05Å |
| 47 | G | 79.9 | Confident | 89.5 | Confident | 57 Ų | 57 | 38 Ų | 38 | 59% | 0.588 | 23% | 0.234 | S | C | * | . | S | Bend | trans | 78.6 | 3.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | T43 N44 S45 | T43-G47 VanDerWaalsContact CG2-C 3.46Å; T43-G47 WeakPolarHBondContact CG2-O 3.4Å; N44-G47 PolarHBondContact O-N 3.4Å; N44-G47 VanDerWaalsContact O-N 3.1Å; N44-G47 PolarHBondContact OD1-N 3.41Å; S45-G47 VanDerWaalsContact C-N 3.29Å; S45-G47 PolarHBondContact O-N 3.07Å |
| 48 | R | 83.6 | Confident | 89.4 | Confident | 123 Ų | 123 | 37.7 Ų | 37.7 | 46% | 0.464 | 23% | 0.232 | S | C | . | . | trans | -82.6 | 147.1 | 177.8 | -59.9 | -172.2 | -170.6 | 179.3 | 4.9 | 111.4 | T43 N44 D46 L129 | T43-R48 CarbonylContact C-O 3.58Å; T43-R48 WeakPolarHBondContact CA-O 3.49Å; N44-R48 PolarHBondContact N-O 3.07Å; N44-R48 WeakPolarHBondContact OD1-CA 3.48Å; N44-R48 WeakPolarHBondContact OD1-CB 3.41Å; N44-R48 PolarHBondContact OD1-N 2.84Å; N44-R48 PolarHBondContact OD1-O 3.42Å; D46-R48 VanDerWaalsContact C-N 3.28Å; D46-R48 PolarHBondContact O-N 3.05Å; R48-L129 HydrophobicContact CB-CD1 4.31Å | ||
| 49 | S | 86.6 | Confident | 89.3 | Confident | 53 Ų | 53 | 37.9 Ų | 37.9 | 37% | 0.371 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 136.4 | 174.8 | -168.8 | 0 | 0 | 0 | 0 | 110.2 | L42 S130 | L42-S49 CarbonylContact O-C 3.54Å; L42-S49 WeakPolarHBondContact O-CA 3.31Å; S49-S130 WeakPolarHBondContact O-CB 3.36Å |
| 50 | V | 92 | Very high | 88.9 | Confident | 16 Ų | 16 | 39.8 Ų | 39.8 | 10% | 0.097 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 130.2 | 176.6 | 178.5 | 0 | 0 | 0 | 0 | 109.5 | A41 L42 N44 I70 L129 | A41-V50 CarbonylContact C-O 3.54Å; A41-V50 WeakPolarHBondContact CA-O 3.33Å; L42-V50 PolarHBondContact N-O 3.09Å; L42-V50 PolarHBondContact O-N 3.11Å; N44-V50 HydrophobicContact CB-CG2 3.75Å; V50-I70 HydrophobicContact CG1-CG2 3.59Å; V50-L129 CarbonylContact C-O 3.6Å; V50-L129 WeakPolarHBondContact CA-O 3.18Å; V50-L129 HydrophobicContact CG2-CB 4.49Å; V50-L129 HydrophobicContact CG2-CD2 4.37Å |
| 51 | S | 94.5 | Very high | 88.5 | Confident | 5 Ų | 5 | 45.4 Ų | 45.4 | 4% | 0.035 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 140.5 | 176.6 | -62.2 | 0 | 0 | 0 | 0 | 111.8 | L129 S130 V131 Y190 | S51-L129 PolarHBondContact N-O 2.89Å; S51-S130 VanDerWaalsContact OG-CA 3.29Å; S51-S130 WeakPolarHBondContact OG-CA 3.12Å; S51-V131 WeakPolarHBondContact OG-CG2 3.44Å; S51-V131 PolarHBondContact OG-N 3.18Å; S51-Y190 VanDerWaalsContact C-OH 3.24Å; S51-Y190 VanDerWaalsContact CB-CZ 3.45Å; S51-Y190 WeakPolarHBondContact CB-OH 3.44Å; S51-Y190 PolarHBondContact O-OH 3.08Å |
| 52 | A | 93.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 162.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | T40 L42 R69 I70 Y190 | T40-A52 CarbonylContact C-O 3.51Å; T40-A52 HydrophobicContact CG2-CB 3.88Å; T40-A52 WeakPolarHBondContact CG2-O 3.3Å; T40-A52 PolarHBondContact N-O 2.82Å; T40-A52 PolarHBondContact O-N 3.38Å; L42-A52 HydrophobicContact CD1-CB 3.8Å; L42-A52 HydrophobicContact CG-CB 4.05Å; A52-R69 CarbonylContact C-O 3.55Å; A52-R69 WeakPolarHBondContact CA-O 3.42Å; A52-R69 WeakPolarHBondContact CB-O 3.4Å; A52-I70 HydrophobicContact CB-CG1 4.17Å; A52-Y190 PolarHBondContact N-OH 3.38Å; A52-Y190 WeakPolarHBondContact O-CE1 3.36Å |
| 53 | V | 95 | Very high | 88.4 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 133.4 | 170.4 | 179.4 | 0 | 0 | 0 | 0 | 108.8 | C37 H38 Y55 L68 R69 Y190 H191 V194 | C37-V53 HydrophobicContact CB-CG1 4.16Å; H38-V53 WeakPolarHBondContact O-CA 3.46Å; V53-Y55 HydrophobicContact CB-CD2 4.44Å; V53-Y55 HydrophobicContact CB-CE2 3.77Å; V53-Y55 HydrophobicContact CG1-CD2 4.09Å; V53-Y55 HydrophobicContact CG1-CE1 4.31Å; V53-Y55 HydrophobicContact CG1-CE2 3.61Å; V53-L68 WeakPolarHBondContact O-CA 3.2Å; V53-R69 PolarHBondContact N-O 2.93Å; V53-R69 PolarHBondContact O-N 2.89Å; V53-Y190 HydrophobicContact CG2-CD1 4.12Å; V53-Y190 HydrophobicContact CG2-CE1 3.59Å; V53-H191 HydrophobicContact CG2-CB 4.38Å; V53-V194 HydrophobicContact CG2-CB 3.92Å; V53-V194 HydrophobicContact CG2-CG1 4.08Å; V53-V194 HydrophobicContact CG2-CG2 3.73Å |
| 54 | E | 94.6 | Very high | 88.9 | Confident | 11 Ų | 11 | 42.6 Ų | 42.6 | 5% | 0.051 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 131.9 | 170.1 | -73.1 | 156.6 | 149.2 | 0 | 0 | 109.2 | R12 C37 H38 T40 Y56 L67 L68 R361 | R12-E54 IonicContact CZ-OE1 3.54Å; R12-E54 IonicContact CZ-OE2 2.91Å; R12-E54 IonicContact NH1-OE1 3.72Å; R12-E54 PolarHBondContact NH1-OE1 3.17Å; R12-E54 IonicContact NH1-OE2 3.88Å; R12-E54 PolarHBondContact NH1-OE2 3.15Å; R12-E54 IonicContact NH2-OE1 2.73Å; R12-E54 PolarHBondContact NH2-OE1 2.85Å; R12-E54 IonicContact NH2-OE2 3.51Å; R12-E54 PolarHBondContact NH2-OE2 3.29Å; C37-E54 CarbonylContact C-O 3.53Å; C37-E54 WeakPolarHBondContact CA-O 3.36Å; C37-E54 WeakPolarHBondContact CB-O 3.38Å; H38-E54 PolarHBondContact N-O 3.15Å; H38-E54 PolarHBondContact O-N 3.26Å; T40-E54 WeakPolarHBondContact CB-OE2 3.4Å; T40-E54 HydrophobicContact CG2-CG 3.76Å; E54-Y56 HydrophobicContact CB-CE2 3.92Å; E54-L67 WeakPolarHBondContact CA-O 3.49Å; E54-L68 HydrophobicContact CB-CD2 4.45Å; E54-L68 HydrophobicContact CG-CD2 3.31Å; E54-R361 IonicContact OE2-CZ 2.77Å; E54-R361 IonicContact OE2-NH1 3.85Å; E54-R361 PolarHBondContact OE2-NH1 3.03Å |
| 55 | Y | 95.5 | Very high | 89.5 | Confident | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 125.9 | 176.9 | -68.4 | -90.3 | 0 | 0 | 0 | 108.9 | L34 C37 V53 F57 K66 L67 R69 V194 V200 I215 | L34-Y55 HydrophobicContact CD1-CD1 3.68Å; L34-Y55 HydrophobicContact CD1-CG 4.28Å; L34-Y55 HydrophobicContact CD2-CD1 3.63Å; L34-Y55 HydrophobicContact CD2-CE1 4Å; L34-Y55 HydrophobicContact CG-CD1 4.33Å; C37-Y55 HydrophobicContact CB-CD1 4Å; C37-Y55 HydrophobicContact CB-CE1 4.23Å; V53-Y55 HydrophobicContact CB-CD2 4.44Å; V53-Y55 HydrophobicContact CB-CE2 3.77Å; V53-Y55 HydrophobicContact CG1-CD2 4.09Å; V53-Y55 HydrophobicContact CG1-CE1 4.31Å; V53-Y55 HydrophobicContact CG1-CE2 3.61Å; Y55-F57 VanDerWaalsContact CB-CE2 3.43Å; Y55-F57 HydrophobicContact CG-CE2 4.41Å; Y55-K66 CarbonylContact O-C 3.56Å; Y55-K66 WeakPolarHBondContact O-CA 3.05Å; Y55-K66 WeakPolarHBondContact O-CB 3.49Å; Y55-L67 PolarHBondContact N-O 2.94Å; Y55-L67 PolarHBondContact O-N 2.78Å; Y55-R69 HydrophobicContact CD2-CB 4.25Å; Y55-R69 HydrophobicContact CE2-CB 3.64Å; Y55-V194 WeakPolarHBondContact OH-CG1 3.24Å; Y55-V200 HydrophobicContact CD1-CG1 4.22Å; Y55-V200 HydrophobicContact CE1-CB 4.36Å; Y55-V200 HydrophobicContact CE1-CG1 3.62Å; Y55-I215 HydrophobicContact CD2-CD1 3.7Å; Y55-I215 HydrophobicContact CE2-CD1 4.26Å; Y55-I215 HydrophobicContact CG-CD1 4.18Å |
| 56 | Y | 95.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 121.6 | -179.1 | -63.9 | -97.7 | 0 | 0 | 0 | 109.1 | R12 E16 Y21 L34 I35 N36 H38 E54 K66 R361 Q362 | R12-Y56 PolarHBondContact NH2-OH 3.46Å; E16-Y56 PolarHBondContact OE1-OH 3Å; Y21-Y56 AromaticContact CD1-CD1 3.62Å; Y21-Y56 HydrophobicContact CD1-CD1 3.62Å; Y21-Y56 HydrophobicContact CD1-CG 4.35Å; Y21-Y56 HydrophobicContact CD2-CD1 4.32Å; Y21-Y56 HydrophobicContact CE1-CD1 4.12Å; Y21-Y56 AromaticContact CG-CD1 3.71Å; Y21-Y56 HydrophobicContact CG-CD1 3.71Å; Y21-Y56 HydrophobicContact CG-CE1 4.33Å; L34-Y56 WeakPolarHBondContact CD1-O 3.39Å; I35-Y56 VanDerWaalsContact CG2-O 3.3Å; I35-Y56 WeakPolarHBondContact CG2-O 3.39Å; I35-Y56 PolarHBondContact N-O 3.26Å; N36-Y56 HydrophobicContact CB-CD2 4.15Å; N36-Y56 HydrophobicContact CB-CG 4.38Å; N36-Y56 PolarHBondContact O-N 3.01Å; H38-Y56 AromaticContact CD2-CE2 3.87Å; E54-Y56 HydrophobicContact CB-CE2 3.92Å; Y56-K66 HydrophobicContact CD1-CB 4.14Å; Y56-K66 HydrophobicContact CE1-CB 4.32Å; Y56-K66 HydrophobicContact CE1-CD 4.18Å; Y56-R361 HydrophobicContact CE2-CB 4.46Å; Y56-R361 WeakPolarHBondContact OH-CB 3.35Å; Y56-Q362 HydrophobicContact CD1-CB 4.3Å; Y56-Q362 HydrophobicContact CE1-CB 3.91Å |
| 57 | F | 95.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 146.5 | -171.2 | -74.1 | -76.1 | 0 | 0 | 0 | 112.2 | A32 W33 L34 Y55 K64 F65 L67 Y206 V208 I215 I218 | A32-F57 HydrophobicContact CB-CB 3.75Å; A32-F57 HydrophobicContact CB-CD1 3.85Å; A32-F57 HydrophobicContact CB-CG 4.1Å; W33-F57 WeakPolarHBondContact O-CA 3.29Å; L34-F57 HydrophobicContact CB-CD1 4.19Å; L34-F57 HydrophobicContact CB-CE1 3.83Å; L34-F57 HydrophobicContact CD1-CD1 4.39Å; L34-F57 HydrophobicContact CD1-CE1 4.06Å; L34-F57 HydrophobicContact CD1-CZ 4.14Å; L34-F57 HydrophobicContact CG-CE1 4.46Å; Y55-F57 VanDerWaalsContact CB-CE2 3.43Å; Y55-F57 HydrophobicContact CG-CE2 4.41Å; F57-K64 WeakPolarHBondContact O-CA 3.25Å; F57-F65 HydrophobicContact CB-CD1 4.17Å; F57-F65 HydrophobicContact CB-CD2 4.06Å; F57-F65 HydrophobicContact CB-CE1 3.76Å; F57-F65 HydrophobicContact CB-CE2 3.63Å; F57-F65 HydrophobicContact CB-CG 4.32Å; F57-F65 HydrophobicContact CB-CZ 3.48Å; F57-F65 VanDerWaalsContact CB-CZ 3.48Å; F57-F65 HydrophobicContact CD2-CD2 4.16Å; F57-F65 AromaticContact CD2-CE2 3.54Å; F57-F65 HydrophobicContact CD2-CE2 3.54Å; F57-F65 HydrophobicContact CD2-CZ 4.07Å; F57-F65 HydrophobicContact CE2-CE2 4.44Å; F57-F65 AromaticContact CG-CE2 3.81Å; F57-F65 HydrophobicContact CG-CE2 3.81Å; F57-F65 AromaticContact CG-CZ 3.87Å; F57-F65 HydrophobicContact CG-CZ 3.87Å; F57-F65 PolarHBondContact N-O 3.32Å; F57-F65 PolarHBondContact O-N 2.93Å; F57-L67 HydrophobicContact CD2-CD1 4.46Å; F57-L67 HydrophobicContact CE2-CB 4.46Å; F57-L67 HydrophobicContact CE2-CD1 4.25Å; F57-Y206 HydrophobicContact CE1-CD2 4.36Å; F57-V208 HydrophobicContact CE1-CG2 3.92Å; F57-V208 HydrophobicContact CE2-CG2 4.28Å; F57-V208 HydrophobicContact CZ-CG2 3.74Å; F57-I215 HydrophobicContact CE2-CD1 4.48Å; F57-I218 HydrophobicContact CZ-CD1 3.87Å |
| 58 | I | 94.1 | Very high | 91.8 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 123.5 | 170.8 | -59 | 178.8 | 0 | 0 | 0 | 108.6 | W33 I35 G63 P228 P230 D318 | W33-I58 PolarHBondContact N-O 3.35Å; W33-I58 PolarHBondContact O-N 3.24Å; I35-I58 HydrophobicContact CB-CD1 4.11Å; I35-I58 HydrophobicContact CB-CG1 4.41Å; I35-I58 HydrophobicContact CD1-CD1 3.52Å; I35-I58 HydrophobicContact CG1-CD1 4.41Å; I35-I58 HydrophobicContact CG2-CD1 4.07Å; I35-I58 HydrophobicContact CG2-CG1 4.05Å; I58-G63 CarbonylContact C-O 3.49Å; I58-G63 WeakPolarHBondContact CA-O 3.32Å; I58-P228 HydrophobicContact CG2-CB 4.23Å; I58-P228 HydrophobicContact CG2-CG 4.44Å; I58-P230 HydrophobicContact CD1-CB 4.02Å; I58-D318 HydrophobicContact CD1-CB 4.23Å |
| 59 | E | 91.9 | Very high | 92.2 | Very high | 31 Ų | 31 | 25.7 Ų | 25.7 | 15% | 0.145 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 158.9 | 175.2 | -64 | 178.7 | 99.7 | 0 | 0 | 110.9 | K30 A32 N61 G62 G63 F65 | K30-E59 VanDerWaalsContact CD-OE1 3.23Å; K30-E59 WeakPolarHBondContact CD-OE1 3.4Å; K30-E59 VanDerWaalsContact CE-OE1 3.27Å; K30-E59 WeakPolarHBondContact CE-OE1 3.08Å; K30-E59 IonicContact NZ-OE1 2.63Å; K30-E59 PolarHBondContact NZ-OE1 3.27Å; K30-E59 IonicContact NZ-OE2 2.96Å; K30-E59 PolarHBondContact NZ-OE2 3.28Å; A32-E59 HydrophobicContact CB-CG 4.16Å; E59-N61 WeakPolarHBondContact CB-OD1 3.23Å; E59-N61 PolarHBondContact O-N 3.44Å; E59-N61 VanDerWaalsContact O-N 3.11Å; E59-G62 PolarHBondContact O-N 3.38Å; E59-G63 WeakPolarHBondContact CB-O 3.39Å; E59-G63 PolarHBondContact N-O 2.89Å; E59-F65 HydrophobicContact CG-CD1 4.1Å; E59-F65 HydrophobicContact CG-CE1 3.6Å |
| 60 | G | 83.2 | Confident | 92.5 | Very high | 67 Ų | 67 | 26.9 Ų | 26.9 | 69% | 0.691 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -20 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 61 | N | 82.9 | Confident | 92.6 | Very high | 133 Ų | 133 | 28.2 Ų | 28.2 | 71% | 0.711 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 7.7 | 175.5 | 66.8 | -7.9 | 0 | 0 | 0 | 113.6 | E59 G63 | E59-N61 WeakPolarHBondContact CB-OD1 3.23Å; E59-N61 PolarHBondContact O-N 3.44Å; E59-N61 VanDerWaalsContact O-N 3.11Å; N61-G63 VanDerWaalsContact C-N 3.35Å; N61-G63 PolarHBondContact OD1-N 2.77Å |
| 62 | G | 84.1 | Confident | 92.6 | Very high | 45 Ų | 45 | 31.9 Ų | 31.9 | 46% | 0.464 | 19% | 0.186 | S | C | . | . | S | Bend | trans | 85.5 | -1.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | E59 | E59-G62 PolarHBondContact O-N 3.38Š|
| 63 | G | 90.2 | Very high | 92.7 | Very high | 23 Ų | 23 | 32 Ų | 32 | 24% | 0.237 | 19% | 0.187 | C | C | . | . | trans | -60.2 | 135.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I58 E59 N61 | I58-G63 CarbonylContact C-O 3.49Å; I58-G63 WeakPolarHBondContact CA-O 3.32Å; E59-G63 WeakPolarHBondContact CB-O 3.39Å; E59-G63 PolarHBondContact N-O 2.89Å; N61-G63 VanDerWaalsContact C-N 3.35Å; N61-G63 PolarHBondContact OD1-N 2.77Å | ||
| 64 | K | 94.1 | Very high | 92.8 | Very high | 47 Ų | 47 | 32.4 Ų | 32.4 | 20% | 0.204 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 144.9 | -178.7 | -57 | 178 | -168.8 | -171.1 | 0 | 109.3 | G20 Y21 F57 A316 D318 | G20-K64 CarbonylContact O-C 3.53Å; G20-K64 WeakPolarHBondContact O-CB 3.5Å; Y21-K64 HydrophobicContact CD1-CB 4.1Å; Y21-K64 HydrophobicContact CE1-CB 3.93Å; Y21-K64 HydrophobicContact CE1-CG 4.45Å; Y21-K64 HydrophobicContact CE2-CD 4.08Å; F57-K64 WeakPolarHBondContact O-CA 3.25Å; K64-A316 PolarHBondContact NZ-O 2.9Å; K64-D318 WeakPolarHBondContact CD-OD1 3.44Å; K64-D318 WeakPolarHBondContact CE-OD1 3.08Å; K64-D318 WeakPolarHBondContact CE-OD2 3.25Å; K64-D318 IonicContact NZ-OD1 3.01Å; K64-D318 PolarHBondContact NZ-OD1 2.94Å; K64-D318 IonicContact NZ-OD2 3.45Å; K64-D318 PolarHBondContact NZ-OD2 3.45Å |
| 65 | F | 94.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 164.8 | 173 | 64.1 | -89.7 | 0 | 0 | 0 | 110.9 | Y21 L24 K30 A32 F57 E59 L67 | Y21-F65 WeakPolarHBondContact CD1-O 3.42Å; L24-F65 HydrophobicContact CD1-CB 3.84Å; L24-F65 HydrophobicContact CD1-CD1 4.21Å; L24-F65 HydrophobicContact CD1-CD2 3.35Å; L24-F65 HydrophobicContact CD1-CE2 3.87Å; L24-F65 HydrophobicContact CD1-CG 3.55Å; L24-F65 HydrophobicContact CD1-CZ 4.48Å; L24-F65 HydrophobicContact CD2-CB 3.85Å; L24-F65 HydrophobicContact CD2-CG 4.43Å; L24-F65 HydrophobicContact CG-CB 3.72Å; L24-F65 HydrophobicContact CG-CD2 3.96Å; L24-F65 HydrophobicContact CG-CG 4.01Å; K30-F65 HydrophobicContact CB-CE1 4.36Å; K30-F65 HydrophobicContact CB-CZ 4.09Å; K30-F65 HydrophobicContact CD-CD1 4.13Å; K30-F65 HydrophobicContact CD-CE1 3.66Å; K30-F65 HydrophobicContact CD-CZ 3.96Å; A32-F65 HydrophobicContact CB-CE1 3.76Å; A32-F65 HydrophobicContact CB-CZ 3.7Å; F57-F65 HydrophobicContact CB-CD1 4.17Å; F57-F65 HydrophobicContact CB-CD2 4.06Å; F57-F65 HydrophobicContact CB-CE1 3.76Å; F57-F65 HydrophobicContact CB-CE2 3.63Å; F57-F65 HydrophobicContact CB-CG 4.32Å; F57-F65 HydrophobicContact CB-CZ 3.48Å; F57-F65 VanDerWaalsContact CB-CZ 3.48Å; F57-F65 HydrophobicContact CD2-CD2 4.16Å; F57-F65 AromaticContact CD2-CE2 3.54Å; F57-F65 HydrophobicContact CD2-CE2 3.54Å; F57-F65 HydrophobicContact CD2-CZ 4.07Å; F57-F65 HydrophobicContact CE2-CE2 4.44Å; F57-F65 AromaticContact CG-CE2 3.81Å; F57-F65 HydrophobicContact CG-CE2 3.81Å; F57-F65 AromaticContact CG-CZ 3.87Å; F57-F65 HydrophobicContact CG-CZ 3.87Å; F57-F65 PolarHBondContact N-O 3.32Å; F57-F65 PolarHBondContact O-N 2.93Å; E59-F65 HydrophobicContact CG-CD1 4.1Å; E59-F65 HydrophobicContact CG-CE1 3.6Å; F65-L67 HydrophobicContact CD2-CD1 4.23Å; F65-L67 HydrophobicContact CD2-CG 3.95Å; F65-L67 HydrophobicContact CE2-CD1 3.65Å; F65-L67 HydrophobicContact CE2-CG 3.88Å |
| 66 | K | 95.1 | Very high | 92.9 | Very high | 19 Ų | 19 | 32.2 Ų | 32.2 | 8% | 0.083 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 155.3 | 170 | 73.6 | 179.1 | 179.2 | 162.4 | 0 | 112.3 | E16 Y21 D22 L23 Y55 Y56 | E16-K66 VanDerWaalsContact CD-NZ 3.27Å; E16-K66 IonicContact OE1-NZ 3.78Å; E16-K66 IonicContact OE2-NZ 2.92Å; E16-K66 PolarHBondContact OE2-NZ 2.94Å; Y21-K66 VanDerWaalsContact O-CD 3.28Å; Y21-K66 WeakPolarHBondContact O-CD 3.39Å; Y21-K66 WeakPolarHBondContact O-CE 3.21Å; Y21-K66 VanDerWaalsContact O-CG 3.3Å; Y21-K66 WeakPolarHBondContact O-CG 3.17Å; D22-K66 PolarHBondContact O-N 2.71Å; L23-K66 HydrophobicContact CB-CG 4.44Å; L23-K66 HydrophobicContact CD1-CG 4.24Å; Y55-K66 CarbonylContact O-C 3.56Å; Y55-K66 WeakPolarHBondContact O-CA 3.05Å; Y55-K66 WeakPolarHBondContact O-CB 3.49Å; Y56-K66 HydrophobicContact CD1-CB 4.14Å; Y56-K66 HydrophobicContact CE1-CB 4.32Å; Y56-K66 HydrophobicContact CE1-CD 4.18Å |
| 67 | L | 95.5 | Very high | 92.9 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 159.1 | 174.6 | -65.4 | 172.4 | 0 | 0 | 0 | 110.8 | L24 E54 Y55 F57 F65 V208 A210 I215 | L24-L67 HydrophobicContact CB-CD2 4.06Å; L24-L67 HydrophobicContact CD1-CD2 4.31Å; L24-L67 HydrophobicContact CG-CD2 4.44Å; E54-L67 WeakPolarHBondContact CA-O 3.49Å; Y55-L67 PolarHBondContact N-O 2.94Å; Y55-L67 PolarHBondContact O-N 2.78Å; F57-L67 HydrophobicContact CD2-CD1 4.46Å; F57-L67 HydrophobicContact CE2-CB 4.46Å; F57-L67 HydrophobicContact CE2-CD1 4.25Å; F65-L67 HydrophobicContact CD2-CD1 4.23Å; F65-L67 HydrophobicContact CD2-CG 3.95Å; F65-L67 HydrophobicContact CE2-CD1 3.65Å; F65-L67 HydrophobicContact CE2-CG 3.88Å; L67-V208 HydrophobicContact CD1-CB 4.27Å; L67-V208 HydrophobicContact CD1-CG1 3.51Å; L67-A210 HydrophobicContact CD1-CB 3.86Å; L67-A210 HydrophobicContact CD2-CB 3.66Å; L67-A210 HydrophobicContact CG-CB 4.38Å; L67-I215 HydrophobicContact CB-CD1 3.91Å; L67-I215 HydrophobicContact CB-CG1 3.57Å; L67-I215 HydrophobicContact CD1-CD1 4.5Å; L67-I215 HydrophobicContact CD1-CG1 4Å; L67-I215 HydrophobicContact CG-CG1 4.39Å |
| 68 | L | 94.5 | Very high | 92.6 | Very high | 15 Ų | 15 | 32.3 Ų | 32.3 | 8% | 0.079 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 136.3 | -178.8 | -68.2 | 165.6 | 0 | 0 | 0 | 110.5 | L23 T40 L42 V53 E54 G213 K214 I215 | L23-L68 HydrophobicContact CD1-CD1 3.83Å; L23-L68 HydrophobicContact CD1-CG 3.82Å; L23-L68 HydrophobicContact CD2-CD1 3.91Å; T40-L68 HydrophobicContact CG2-CD2 3.99Å; L42-L68 HydrophobicContact CD1-CD1 4.21Å; L42-L68 HydrophobicContact CD2-CD1 4.14Å; V53-L68 WeakPolarHBondContact O-CA 3.2Å; E54-L68 HydrophobicContact CB-CD2 4.45Å; E54-L68 HydrophobicContact CG-CD2 3.31Å; L68-G213 PolarHBondContact N-O 2.94Å; L68-K214 CarbonylContact O-C 3.56Å; L68-K214 VanDerWaalsContact O-CA 3.28Å; L68-K214 WeakPolarHBondContact O-CA 3.3Å; L68-I215 PolarHBondContact O-N 3.42Å |
| 69 | R | 93.1 | Very high | 92.4 | Very high | 63 Ų | 63 | 32.7 Ų | 32.7 | 24% | 0.238 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 114.4 | 165.9 | -166.8 | 174.6 | -177.1 | 149.4 | 4.5 | 109.7 | A52 V53 Y55 I215 | A52-R69 CarbonylContact C-O 3.55Å; A52-R69 WeakPolarHBondContact CA-O 3.42Å; A52-R69 WeakPolarHBondContact CB-O 3.4Å; V53-R69 PolarHBondContact N-O 2.93Å; V53-R69 PolarHBondContact O-N 2.89Å; Y55-R69 HydrophobicContact CD2-CB 4.25Å; Y55-R69 HydrophobicContact CE2-CB 3.64Å; R69-I215 HydrophobicContact CB-CD1 4.43Å |
| 70 | I | 92.2 | Very high | 92.1 | Very high | 77 Ų | 77 | 34.9 Ų | 34.9 | 40% | 0.395 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 129.5 | 168.9 | -64.9 | 171.4 | 0 | 0 | 0 | 107.6 | L42 V50 A52 K214 | L42-I70 HydrophobicContact CD1-CD1 4.15Å; L42-I70 HydrophobicContact CD1-CG1 3.97Å; V50-I70 HydrophobicContact CG1-CG2 3.59Å; A52-I70 HydrophobicContact CB-CG1 4.17Å; I70-K214 HydrophobicContact CD1-CD 4.4Å |
| 71 | F | 93.5 | Very high | 92 | Very high | 44 Ų | 44 | 36.7 Ų | 36.7 | 19% | 0.193 | 20% | 0.203 | C | C | . | . | trans | -144.6 | 125.8 | 177.7 | -168.7 | -87.1 | 0 | 0 | 0 | 109.3 | P73 Y74 Y190 R193 V194 D197 T198 | F71-P73 VanDerWaalsContact O-CD 3.26Å; F71-P73 WeakPolarHBondContact O-CD 3.28Å; F71-Y74 HydrophobicContact CE1-CD1 4.38Å; F71-Y74 HydrophobicContact CE1-CE1 4.06Å; F71-Y74 HydrophobicContact CZ-CE1 4.41Å; F71-Y190 HydrophobicContact CD1-CE2 4.49Å; F71-Y190 PolarHBondContact N-OH 3.36Å; F71-Y190 VanDerWaalsContact O-CE2 3.31Å; F71-Y190 WeakPolarHBondContact O-CE2 3.44Å; F71-Y190 PolarHBondContact O-OH 2.99Å; F71-R193 HydrophobicContact CE1-CG 4.4Å; F71-V194 HydrophobicContact CB-CG1 4.29Å; F71-V194 HydrophobicContact CB-CG2 3.72Å; F71-V194 HydrophobicContact CD1-CG2 3.65Å; F71-V194 HydrophobicContact CD2-CG1 4.44Å; F71-V194 HydrophobicContact CE1-CG2 4.41Å; F71-V194 HydrophobicContact CG-CG1 4.28Å; F71-V194 HydrophobicContact CG-CG2 3.75Å; F71-D197 HydrophobicContact CE2-CB 4.35Å; F71-D197 HydrophobicContact CZ-CB 3.77Å; F71-D197 WeakPolarHBondContact CZ-OD2 3.48Å; F71-T198 HydrophobicContact CD2-CG2 4.37Å; F71-T198 HydrophobicContact CE2-CG2 4.14Å | ||
| 72 | K | 94.2 | Very high | 92.1 | Very high | 82 Ų | 82 | 37.4 Ų | 37.4 | 36% | 0.357 | 20% | 0.202 | S | C | . | . | trans | -68.6 | 118.6 | -177.4 | -66.1 | -171.4 | 179.5 | -168.6 | 0 | 109.6 | E100 N127 F128 | K72-E100 HydrophobicContact CD-CG 4.19Å; K72-E100 VanDerWaalsContact NZ-CG 3.27Å; K72-E100 IonicContact NZ-OE1 3.04Å; K72-E100 PolarHBondContact NZ-OE1 3.36Å; K72-N127 HydrophobicContact CB-CB 4.38Å; K72-N127 HydrophobicContact CD-CB 4.32Å; K72-F128 WeakPolarHBondContact CB-O 3.37Å | ||
| 73 | P | 96.3 | Very high | 92.3 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.019 | 19% | 0.193 | C | C | . | . | trans | -60.1 | 147.7 | 169.1 | -17.2 | 29.5 | 0 | 0 | 0 | 110.2 | F71 F128 V131 L134 Y190 | F71-P73 VanDerWaalsContact O-CD 3.26Å; F71-P73 WeakPolarHBondContact O-CD 3.28Å; P73-F128 VanDerWaalsContact CD-O 3.25Å; P73-F128 WeakPolarHBondContact CD-O 3.17Å; P73-F128 WeakPolarHBondContact O-CD2 3.47Å; P73-F128 PolarHBondContact O-N 2.99Å; P73-V131 HydrophobicContact CB-CG2 4.3Å; P73-V131 HydrophobicContact CG-CG2 3.86Å; P73-L134 HydrophobicContact CB-CB 4.48Å; P73-L134 HydrophobicContact CB-CD1 3.53Å; P73-Y190 HydrophobicContact CB-CD2 4.07Å; P73-Y190 HydrophobicContact CB-CE2 4.18Å; P73-Y190 HydrophobicContact CG-CD2 3.8Å; P73-Y190 HydrophobicContact CG-CE2 3.59Å | ||
| 74 | Y | 97.3 | Very high | 92.1 | Very high | 10 Ų | 10 | 38 Ų | 38 | 4% | 0.039 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 164.4 | 176.5 | 69.4 | -93.1 | 0 | 0 | 0 | 112.4 | F71 Y76 K125 L126 R193 D197 | F71-Y74 HydrophobicContact CE1-CD1 4.38Å; F71-Y74 HydrophobicContact CE1-CE1 4.06Å; F71-Y74 HydrophobicContact CZ-CE1 4.41Å; Y74-Y76 HydrophobicContact CD2-CE1 4.42Å; Y74-Y76 HydrophobicContact CD2-CE2 4.39Å; Y74-Y76 HydrophobicContact CE2-CE1 4.26Å; Y74-Y76 AromaticContact CE2-CE2 3.78Å; Y74-Y76 HydrophobicContact CE2-CE2 3.78Å; Y74-Y76 AromaticContact CE2-CZ 3.58Å; Y74-Y76 WeakPolarHBondContact CE2-OH 3.43Å; Y74-K125 HydrophobicContact CD2-CD 3.81Å; Y74-K125 HydrophobicContact CD2-CG 3.85Å; Y74-K125 HydrophobicContact CE2-CD 4.18Å; Y74-K125 HydrophobicContact CG-CD 4.11Å; Y74-K125 HydrophobicContact CG-CG 4.14Å; Y74-L126 WeakPolarHBondContact CA-O 3.43Å; Y74-L126 WeakPolarHBondContact CB-O 3.4Å; Y74-R193 HydrophobicContact CE1-CG 4.43Å; Y74-R193 PolarHBondContact OH-NH1 2.85Å; Y74-D197 WeakPolarHBondContact CE1-OD2 3.35Å; Y74-D197 VanDerWaalsContact CZ-OD2 3.27Å; Y74-D197 PolarHBondContact OH-OD1 3.4Å; Y74-D197 PolarHBondContact OH-OD2 3.31Å |
| 75 | F | 97.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 173.1 | 162.7 | 61.9 | -104.1 | 0 | 0 | 0 | 109.7 | I77 L126 F128 L134 V137 R138 I141 I183 R184 | F75-I77 HydrophobicContact CD2-CG1 4.01Å; F75-I77 HydrophobicContact CE2-CD1 3.83Å; F75-I77 HydrophobicContact CE2-CG1 3.62Å; F75-L126 HydrophobicContact CE2-CD1 4.34Å; F75-L126 HydrophobicContact CZ-CD1 4.41Å; F75-L126 PolarHBondContact N-O 2.97Å; F75-L126 PolarHBondContact O-N 2.63Å; F75-F128 AromaticContact CD1-CE2 3.67Å; F75-F128 HydrophobicContact CD1-CE2 3.67Å; F75-F128 HydrophobicContact CD1-CZ 4.16Å; F75-F128 AromaticContact CE1-CE2 3.37Å; F75-F128 HydrophobicContact CE1-CE2 3.37Å; F75-F128 AromaticContact CE1-CZ 3.38Å; F75-F128 HydrophobicContact CE1-CZ 3.38Å; F75-F128 HydrophobicContact CZ-CE2 4.02Å; F75-F128 AromaticContact CZ-CZ 3.69Å; F75-F128 HydrophobicContact CZ-CZ 3.69Å; F75-L134 HydrophobicContact CD1-CD1 4.04Å; F75-L134 HydrophobicContact CD1-CD2 3.97Å; F75-L134 HydrophobicContact CD1-CG 3.65Å; F75-L134 HydrophobicContact CE1-CD2 4.24Å; F75-L134 HydrophobicContact CE1-CG 3.86Å; F75-V137 HydrophobicContact CZ-CG1 4.05Å; F75-R138 HydrophobicContact CE1-CB 4.13Å; F75-I141 HydrophobicContact CE2-CD1 3.92Å; F75-I141 HydrophobicContact CZ-CD1 3.97Å; F75-I183 HydrophobicContact CD2-CD1 3.82Å; F75-I183 HydrophobicContact CD2-CG1 3.75Å; F75-I183 HydrophobicContact CE2-CD1 3.62Å; F75-I183 HydrophobicContact CE2-CG1 3.94Å; F75-I183 HydrophobicContact CG-CD1 4.5Å; F75-I183 HydrophobicContact CZ-CD1 4.16Å; F75-R184 WeakPolarHBondContact CB-O 3.35Å |
| 76 | Y | 96.6 | Very high | 91.3 | Very high | 10 Ų | 10 | 45.8 Ų | 45.8 | 4% | 0.039 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 144.9 | -178 | -58.1 | -71.4 | 0 | 0 | 0 | 112.1 | Y74 V105 M124 K125 I183 R184 E185 V476 | Y74-Y76 HydrophobicContact CD2-CE1 4.42Å; Y74-Y76 HydrophobicContact CD2-CE2 4.39Å; Y74-Y76 HydrophobicContact CE2-CE1 4.26Å; Y74-Y76 AromaticContact CE2-CE2 3.78Å; Y74-Y76 HydrophobicContact CE2-CE2 3.78Å; Y74-Y76 AromaticContact CE2-CZ 3.58Å; Y74-Y76 WeakPolarHBondContact CE2-OH 3.43Å; Y76-V105 HydrophobicContact CD1-CG2 3.84Å; Y76-V105 HydrophobicContact CE1-CG2 3.67Å; Y76-M124 WeakPolarHBondContact CA-O 3.32Å; Y76-K125 HydrophobicContact CD1-CB 3.69Å; Y76-K125 HydrophobicContact CD1-CD 4.43Å; Y76-K125 HydrophobicContact CD1-CG 4.07Å; Y76-K125 HydrophobicContact CE1-CB 3.67Å; Y76-K125 HydrophobicContact CE1-CD 3.62Å; Y76-K125 HydrophobicContact CE1-CG 3.76Å; Y76-I183 CarbonylContact O-C 3.46Å; Y76-I183 WeakPolarHBondContact O-CA 3.46Å; Y76-R184 PolarHBondContact N-O 3.02Å; Y76-R184 VanDerWaalsContact N-O 3.12Å; Y76-R184 PolarHBondContact O-N 3.49Å; Y76-E185 HydrophobicContact CD2-CB 4.32Å; Y76-E185 HydrophobicContact CD2-CG 4.09Å; Y76-E185 HydrophobicContact CE2-CG 4.38Å; Y76-V476 HydrophobicContact CD2-CG2 4.32Å |
| 77 | I | 94.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 130.1 | 174 | -54.4 | 173.3 | 0 | 0 | 0 | 109 | F75 V79 Y123 M124 L126 I141 I180 H182 | F75-I77 HydrophobicContact CD2-CG1 4.01Å; F75-I77 HydrophobicContact CE2-CD1 3.83Å; F75-I77 HydrophobicContact CE2-CG1 3.62Å; I77-V79 HydrophobicContact CG2-CG2 4.28Å; I77-Y123 CarbonylContact O-C 3.26Å; I77-Y123 WeakPolarHBondContact O-CA 3.24Å; I77-M124 PolarHBondContact N-O 2.96Å; I77-M124 PolarHBondContact O-N 3.36Å; I77-L126 HydrophobicContact CD1-CD1 3.3Å; I77-L126 HydrophobicContact CD1-CG 3.77Å; I77-L126 HydrophobicContact CG1-CD1 4.37Å; I77-L126 HydrophobicContact CG1-CG 4.46Å; I77-I141 HydrophobicContact CD1-CD1 3.42Å; I77-I141 VanDerWaalsContact CD1-CD1 3.42Å; I77-I141 HydrophobicContact CG1-CD1 4.21Å; I77-I180 HydrophobicContact CG2-CB 4.18Å; I77-I180 HydrophobicContact CG2-CD1 4.25Å; I77-I180 HydrophobicContact CG2-CG1 3.96Å; I77-I180 HydrophobicContact CG2-CG2 3.36Å; I77-H182 CarbonylContact C-O 3.52Å; I77-H182 WeakPolarHBondContact CA-O 3.44Å |
| 78 | A | 90.8 | Very high | 90.4 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 3% | 0.025 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 129.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y123 T181 H182 | A78-Y123 HydrophobicContact CB-CD1 3.82Å; A78-Y123 HydrophobicContact CB-CE1 3.65Å; A78-T181 WeakPolarHBondContact CB-OG1 3.48Å; A78-T181 PolarHBondContact O-N 2.95Å; A78-T181 PolarHBondContact O-OG1 2.68Å; A78-H182 HydrophobicContact CB-CB 3.96Å; A78-H182 PolarHBondContact N-O 2.92Å; A78-H182 PolarHBondContact O-N 3.4Å |
| 79 | V | 88.7 | Confident | 90 | Very high | 9 Ų | 9 | 49.2 Ų | 49.2 | 6% | 0.055 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 150.1 | 175.1 | -177.3 | 0 | 0 | 0 | 0 | 108 | I77 S81 M84 F87 Y179 | I77-V79 HydrophobicContact CG2-CG2 4.28Å; V79-S81 PolarHBondContact O-N 3.22Å; V79-M84 HydrophobicContact CB-CE 3.48Å; V79-M84 VanDerWaalsContact CB-CE 3.48Å; V79-M84 HydrophobicContact CB-SD 3.86Å; V79-M84 HydrophobicContact CG1-CE 4.07Å; V79-M84 HydrophobicContact CG2-CE 3.44Å; V79-M84 VanDerWaalsContact CG2-CE 3.44Å; V79-M84 HydrophobicContact CG2-SD 4.3Å; V79-F87 HydrophobicContact CG1-CB 3.87Å; V79-F87 HydrophobicContact CG1-CD1 4.5Å; V79-F87 HydrophobicContact CG1-CD2 4.46Å; V79-F87 HydrophobicContact CG1-CG 4.03Å; V79-F87 HydrophobicContact CG2-CB 4.47Å; V79-F87 HydrophobicContact CG2-CD1 3.59Å; V79-F87 HydrophobicContact CG2-CD2 4.46Å; V79-F87 HydrophobicContact CG2-CE1 3.87Å; V79-F87 HydrophobicContact CG2-CG 3.91Å; V79-F87 HydrophobicContact CG2-CZ 4.44Å; V79-Y179 WeakPolarHBondContact CA-O 3.39Å |
| 80 | Q | 86.7 | Confident | 89.7 | Confident | 77 Ų | 77 | 46.5 Ų | 46.5 | 36% | 0.36 | 25% | 0.245 | S | C | . | . | trans | -54.6 | 128.6 | 171.8 | -67.4 | -179.4 | 15.7 | 0 | 0 | 110.1 | E82 Y83 M84 Y179 T181 | Q80-E82 PolarHBondContact O-N 3.13Å; Q80-E82 VanDerWaalsContact O-N 3.09Å; Q80-Y83 HydrophobicContact CB-CD2 3.92Å; Q80-Y83 PolarHBondContact O-N 3.24Å; Q80-M84 PolarHBondContact O-N 3.35Å; Q80-Y179 PolarHBondContact N-O 2.67Å; Q80-T181 HydrophobicContact CG-CG2 3.66Å | ||
| 81 | S | 79.9 | Confident | 89.5 | Confident | 106 Ų | 106 | 42.9 Ų | 42.9 | 74% | 0.741 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -55.7 | -35.3 | -166.3 | -50.5 | 0 | 0 | 0 | 0 | 114 | V79 Y83 M84 | V79-S81 PolarHBondContact O-N 3.22Å; S81-Y83 VanDerWaalsContact C-N 3.3Å; S81-Y83 PolarHBondContact O-N 3.15Å; S81-M84 PolarHBondContact O-N 2.64Å |
| 82 | E | 85 | Confident | 89 | Confident | 147 Ų | 147 | 44.5 Ų | 44.5 | 69% | 0.687 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -71.8 | -19.8 | -178.8 | 62.1 | -158.6 | -161.2 | 0 | 0 | 114.2 | Q80 | Q80-E82 PolarHBondContact O-N 3.13Å; Q80-E82 VanDerWaalsContact O-N 3.09Å |
| 83 | Y | 88.6 | Confident | 88.5 | Confident | 70 Ų | 70 | 46.5 Ų | 46.5 | 28% | 0.275 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -108.8 | 10.2 | 178 | -54 | -73.7 | 0 | 0 | 0 | 112.8 | Q80 S81 D85 E86 F87 Y179 | Q80-Y83 HydrophobicContact CB-CD2 3.92Å; Q80-Y83 PolarHBondContact O-N 3.24Å; S81-Y83 VanDerWaalsContact C-N 3.3Å; S81-Y83 PolarHBondContact O-N 3.15Å; Y83-D85 PolarHBondContact O-N 3.01Å; Y83-E86 PolarHBondContact O-N 3.04Å; Y83-F87 VanDerWaalsContact O-CB 3.22Å; Y83-F87 WeakPolarHBondContact O-CB 3.43Å; Y83-F87 PolarHBondContact O-N 3.34Å; Y83-Y179 HydrophobicContact CD1-CD2 4.28Å; Y83-Y179 HydrophobicContact CD1-CE1 4.15Å; Y83-Y179 AromaticContact CD1-CE2 3.82Å; Y83-Y179 HydrophobicContact CD1-CE2 3.82Å; Y83-Y179 AromaticContact CD1-CZ 3.77Å; Y83-Y179 AromaticContact CD2-CD1 3.8Å; Y83-Y179 HydrophobicContact CD2-CD1 3.8Å; Y83-Y179 HydrophobicContact CD2-CD2 4.41Å; Y83-Y179 HydrophobicContact CD2-CE1 4.06Å; Y83-Y179 HydrophobicContact CD2-CG 4.01Å; Y83-Y179 HydrophobicContact CE1-CE1 4.26Å; Y83-Y179 HydrophobicContact CE2-CD1 4.21Å; Y83-Y179 HydrophobicContact CE2-CE1 4.17Å; Y83-Y179 HydrophobicContact CG-CD1 4.01Å; Y83-Y179 AromaticContact CG-CD2 3.84Å; Y83-Y179 HydrophobicContact CG-CD2 3.84Å; Y83-Y179 HydrophobicContact CG-CE1 4.08Å; Y83-Y179 AromaticContact CG-CE2 3.87Å; Y83-Y179 HydrophobicContact CG-CE2 3.87Å; Y83-Y179 AromaticContact CG-CG 3.91Å; Y83-Y179 HydrophobicContact CG-CG 3.91Å |
| 84 | M | 86.7 | Confident | 88 | Confident | 10 Ų | 10 | 47.7 Ų | 47.7 | 5% | 0.049 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.2 | -44.4 | -171.7 | -172.3 | 74 | -83.3 | 0 | 0 | 112.4 | V79 Q80 S81 F87 A88 V104 M124 | V79-M84 HydrophobicContact CB-CE 3.48Å; V79-M84 VanDerWaalsContact CB-CE 3.48Å; V79-M84 HydrophobicContact CB-SD 3.86Å; V79-M84 HydrophobicContact CG1-CE 4.07Å; V79-M84 HydrophobicContact CG2-CE 3.44Å; V79-M84 VanDerWaalsContact CG2-CE 3.44Å; V79-M84 HydrophobicContact CG2-SD 4.3Å; Q80-M84 PolarHBondContact O-N 3.35Å; S81-M84 PolarHBondContact O-N 2.64Å; M84-F87 HydrophobicContact CE-CB 4.35Å; M84-F87 HydrophobicContact CE-CD1 4.06Å; M84-A88 VanDerWaalsContact O-CB 3.29Å; M84-A88 WeakPolarHBondContact O-CB 3.37Å; M84-A88 PolarHBondContact O-N 3.45Å; M84-V104 HydrophobicContact CG-CG2 4.47Å; M84-M124 HydrophobicContact CE-CB 3.99Å; M84-M124 HydrophobicContact CE-CE 3.48Å; M84-M124 VanDerWaalsContact CE-CE 3.48Å; M84-M124 HydrophobicContact SD-CE 4.48Å |
| 85 | D | 84.7 | Confident | 87.5 | Confident | 128 Ų | 128 | 47.4 Ų | 47.4 | 68% | 0.684 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -70.9 | -37.6 | -179.5 | -64.9 | -29.1 | 0 | 0 | 0 | 112.2 | Y83 A88 S89 | Y83-D85 PolarHBondContact O-N 3.01Å; D85-A88 PolarHBondContact O-N 2.89Å; D85-S89 WeakPolarHBondContact O-CB 3.41Å; D85-S89 PolarHBondContact O-N 3.17Å; D85-S89 VanDerWaalsContact O-N 3.07Å; D85-S89 PolarHBondContact O-OG 3.28Å |
| 86 | E | 85.9 | Confident | 86.8 | Confident | 84 Ų | 84 | 51.8 Ų | 51.8 | 39% | 0.393 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67.8 | -43.3 | 176.6 | -162.6 | -175.8 | 176.3 | 0 | 0 | 111.1 | Y83 S89 S90 Y176 | Y83-E86 PolarHBondContact O-N 3.04Å; E86-S89 PolarHBondContact O-N 3.28Å; E86-S90 PolarHBondContact O-N 3.38Å; E86-S90 PolarHBondContact O-OG 2.84Å; E86-Y176 VanDerWaalsContact CD-CE1 3.49Å; E86-Y176 HydrophobicContact CG-CD1 4.48Å; E86-Y176 HydrophobicContact CG-CE1 3.63Å; E86-Y176 WeakPolarHBondContact OE1-CE1 3.39Å; E86-Y176 PolarHBondContact OE1-OH 3.2Å |
| 87 | F | 87.7 | Confident | 86.2 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 173.5 | -172.7 | -91.6 | 0 | 0 | 0 | 111.2 | V79 Y83 M84 S89 S90 V91 I94 Y176 I180 | V79-F87 HydrophobicContact CG1-CB 3.87Å; V79-F87 HydrophobicContact CG1-CD1 4.5Å; V79-F87 HydrophobicContact CG1-CD2 4.46Å; V79-F87 HydrophobicContact CG1-CG 4.03Å; V79-F87 HydrophobicContact CG2-CB 4.47Å; V79-F87 HydrophobicContact CG2-CD1 3.59Å; V79-F87 HydrophobicContact CG2-CD2 4.46Å; V79-F87 HydrophobicContact CG2-CE1 3.87Å; V79-F87 HydrophobicContact CG2-CG 3.91Å; V79-F87 HydrophobicContact CG2-CZ 4.44Å; Y83-F87 VanDerWaalsContact O-CB 3.22Å; Y83-F87 WeakPolarHBondContact O-CB 3.43Å; Y83-F87 PolarHBondContact O-N 3.34Å; M84-F87 HydrophobicContact CE-CB 4.35Å; M84-F87 HydrophobicContact CE-CD1 4.06Å; F87-S89 VanDerWaalsContact C-N 3.25Å; F87-S89 PolarHBondContact O-N 3.13Å; F87-S90 WeakPolarHBondContact CA-OG 3.2Å; F87-S90 PolarHBondContact O-N 2.73Å; F87-S90 PolarHBondContact O-OG 3.1Å; F87-V91 HydrophobicContact CD1-CG2 3.89Å; F87-V91 HydrophobicContact CE1-CG2 3.58Å; F87-V91 HydrophobicContact CZ-CG2 4.26Å; F87-V91 WeakPolarHBondContact O-CG2 3.01Å; F87-V91 PolarHBondContact O-N 2.91Å; F87-I94 HydrophobicContact CE2-CD1 4.23Å; F87-Y176 VanDerWaalsContact CD2-O 3.26Å; F87-Y176 WeakPolarHBondContact CD2-O 3.45Å; F87-Y176 VanDerWaalsContact CE2-O 3.3Å; F87-Y176 WeakPolarHBondContact CE2-O 3.47Å; F87-I180 HydrophobicContact CE2-CD1 3.91Å; F87-I180 HydrophobicContact CE2-CG1 3.7Å; F87-I180 HydrophobicContact CZ-CD1 3.68Å; F87-I180 HydrophobicContact CZ-CG1 3.7Å |
| 88 | A | 85.8 | Confident | 86 | Confident | 24 Ų | 24 | 56.1 Ų | 56.1 | 20% | 0.198 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -54.8 | -43.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | M84 D85 S90 M124 | M84-A88 VanDerWaalsContact O-CB 3.29Å; M84-A88 WeakPolarHBondContact O-CB 3.37Å; M84-A88 PolarHBondContact O-N 3.45Å; D85-A88 PolarHBondContact O-N 2.89Å; A88-S90 VanDerWaalsContact C-N 3.27Å; A88-S90 PolarHBondContact O-N 3.13Å; A88-M124 HydrophobicContact CB-CE 3.36Å |
| 89 | S | 85.9 | Confident | 86.1 | Confident | 87 Ų | 87 | 57 Ų | 57 | 61% | 0.608 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -70.8 | -20.6 | 179.8 | -58.8 | 0 | 0 | 0 | 0 | 113.6 | D85 E86 F87 | D85-S89 WeakPolarHBondContact O-CB 3.41Å; D85-S89 PolarHBondContact O-N 3.17Å; D85-S89 VanDerWaalsContact O-N 3.07Å; D85-S89 PolarHBondContact O-OG 3.28Å; E86-S89 PolarHBondContact O-N 3.28Å; F87-S89 VanDerWaalsContact C-N 3.25Å; F87-S89 PolarHBondContact O-N 3.13Å |
| 90 | S | 85.4 | Confident | 86.1 | Confident | 5 Ų | 5 | 60.3 Ų | 60.3 | 4% | 0.035 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -96.6 | -19.4 | -179.5 | 59.6 | 0 | 0 | 0 | 0 | 114 | E86 F87 A88 P92 K93 I94 | E86-S90 PolarHBondContact O-N 3.38Å; E86-S90 PolarHBondContact O-OG 2.84Å; F87-S90 WeakPolarHBondContact CA-OG 3.2Å; F87-S90 PolarHBondContact O-N 2.73Å; F87-S90 PolarHBondContact O-OG 3.1Å; A88-S90 VanDerWaalsContact C-N 3.27Å; A88-S90 PolarHBondContact O-N 3.13Å; S90-P92 VanDerWaalsContact C-CD 3.49Å; S90-K93 WeakPolarHBondContact O-CA 3.39Å; S90-K93 WeakPolarHBondContact O-CB 3.33Å; S90-K93 PolarHBondContact O-N 3.14Å; S90-I94 WeakPolarHBondContact O-CG1 3.39Å; S90-I94 PolarHBondContact O-N 3.32Å; S90-I94 WeakPolarHBondContact OG-CD1 3.23Å |
| 91 | V | 88.4 | Confident | 86.4 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.006 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -46.4 | -48.1 | 178.8 | 166.3 | 0 | 0 | 0 | 0 | 113.8 | F87 K93 I94 F95 V99 L126 | F87-V91 HydrophobicContact CD1-CG2 3.89Å; F87-V91 HydrophobicContact CE1-CG2 3.58Å; F87-V91 HydrophobicContact CZ-CG2 4.26Å; F87-V91 WeakPolarHBondContact O-CG2 3.01Å; F87-V91 PolarHBondContact O-N 2.91Å; V91-K93 PolarHBondContact O-N 3.2Å; V91-I94 PolarHBondContact O-N 2.66Å; V91-F95 HydrophobicContact CG1-CD2 4.35Å; V91-F95 PolarHBondContact O-N 2.81Å; V91-V99 HydrophobicContact CG1-CB 4.2Å; V91-V99 HydrophobicContact CG1-CG1 3.82Å; V91-V99 HydrophobicContact CG1-CG2 4.35Å; V91-L126 HydrophobicContact CG1-CD2 3.97Å; V91-L126 HydrophobicContact CG2-CD2 4.32Å |
| 92 | P | 82.3 | Confident | 87 | Confident | 79 Ų | 79 | 56 Ų | 56 | 51% | 0.513 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.6 | -21.3 | 179.3 | -20.7 | 33.4 | 0 | 0 | 0 | 114 | S90 S96 | S90-P92 VanDerWaalsContact C-CD 3.49Å; P92-S96 WeakPolarHBondContact O-CA 3.27Å; P92-S96 WeakPolarHBondContact O-CB 3.38Å |
| 93 | K | 84.1 | Confident | 87.4 | Confident | 123 Ų | 123 | 52.9 Ų | 52.9 | 54% | 0.535 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -86.7 | -40.9 | 177.6 | -57 | 178.1 | -176.3 | 171.7 | 0 | 111.1 | S90 V91 Y173 | S90-K93 WeakPolarHBondContact O-CA 3.39Å; S90-K93 WeakPolarHBondContact O-CB 3.33Å; S90-K93 PolarHBondContact O-N 3.14Å; V91-K93 PolarHBondContact O-N 3.2Å; K93-Y173 HydrophobicContact CB-CD1 4.31Å; K93-Y173 HydrophobicContact CB-CD2 4.41Å; K93-Y173 HydrophobicContact CB-CE1 4.47Å; K93-Y173 HydrophobicContact CB-CG 4.31Å; K93-Y173 HydrophobicContact CD-CD1 4.13Å; K93-Y173 HydrophobicContact CD-CE1 3.6Å |
| 94 | I | 85.3 | Confident | 87.5 | Confident | 29 Ų | 29 | 52.7 Ų | 52.7 | 15% | 0.149 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.1 | -50.6 | -179.8 | -60 | 164.1 | 0 | 0 | 0 | 110.4 | F87 S90 V91 Y176 M177 | F87-I94 HydrophobicContact CE2-CD1 4.23Å; S90-I94 WeakPolarHBondContact O-CG1 3.39Å; S90-I94 PolarHBondContact O-N 3.32Å; S90-I94 WeakPolarHBondContact OG-CD1 3.23Å; V91-I94 PolarHBondContact O-N 2.66Å; I94-Y176 HydrophobicContact CD1-CD2 4.43Å; I94-Y176 HydrophobicContact CD1-CG 4.31Å; I94-M177 HydrophobicContact CG2-CG 4.24Å; I94-M177 HydrophobicContact CG2-SD 3.96Å |
| 95 | F | 88 | Confident | 87.8 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 1% | 0.013 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | 41.7 | -175.8 | -54.4 | -64.3 | 0 | 0 | 0 | 111.8 | V91 G97 L98 V99 L126 V137 I141 M177 | V91-F95 HydrophobicContact CG1-CD2 4.35Å; V91-F95 PolarHBondContact O-N 2.81Å; F95-G97 PolarHBondContact O-N 3.36Å; F95-L98 PolarHBondContact O-N 3.34Å; F95-V99 HydrophobicContact CB-CB 4.22Å; F95-V99 HydrophobicContact CB-CG2 3.52Å; F95-V99 HydrophobicContact CD2-CG2 4.03Å; F95-V99 HydrophobicContact CG-CG2 4.03Å; F95-V99 PolarHBondContact O-N 3.27Å; F95-L126 HydrophobicContact CE2-CD1 4.45Å; F95-V137 HydrophobicContact CB-CG2 4.3Å; F95-V137 HydrophobicContact CD1-CB 4.42Å; F95-V137 HydrophobicContact CD1-CG1 3.77Å; F95-V137 HydrophobicContact CD1-CG2 3.94Å; F95-V137 HydrophobicContact CD2-CG1 4.28Å; F95-V137 HydrophobicContact CE1-CG1 3.69Å; F95-V137 HydrophobicContact CE2-CG1 4.19Å; F95-V137 HydrophobicContact CG-CG1 4.06Å; F95-V137 HydrophobicContact CG-CG2 4.23Å; F95-V137 HydrophobicContact CZ-CG1 3.88Å; F95-I141 HydrophobicContact CZ-CD1 4.12Å; F95-I141 HydrophobicContact CZ-CG1 4.06Å; F95-M177 HydrophobicContact CE1-CE 3.63Å; F95-M177 HydrophobicContact CE1-SD 4.14Å; F95-M177 HydrophobicContact CE2-SD 4.24Å; F95-M177 HydrophobicContact CZ-CE 3.5Å; F95-M177 VanDerWaalsContact CZ-CE 3.5Å; F95-M177 HydrophobicContact CZ-SD 3.47Å; F95-M177 WeakPolarHBondContact CZ-SD 3.4Å |
| 96 | S | 81.7 | Confident | 88.3 | Confident | 92 Ų | 92 | 54.7 Ų | 54.7 | 64% | 0.643 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 125.2 | -173.4 | -165.8 | 0 | 0 | 0 | 0 | 112 | P92 L98 | P92-S96 WeakPolarHBondContact O-CA 3.27Å; P92-S96 WeakPolarHBondContact O-CB 3.38Å; S96-L98 PolarHBondContact O-N 3.11Å |
| 97 | G | 84.2 | Confident | 88.6 | Confident | 50 Ų | 50 | 51.1 Ų | 51.1 | 52% | 0.515 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | -8.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | F95 | F95-G97 PolarHBondContact O-N 3.36Š|
| 98 | L | 90.2 | Very high | 88.9 | Confident | 51 Ų | 51 | 53 Ų | 53 | 27% | 0.267 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | -43.7 | 179.8 | -61.7 | 177.7 | 0 | 0 | 0 | 112.6 | F95 S96 F128 D133 V137 | F95-L98 PolarHBondContact O-N 3.34Å; S96-L98 PolarHBondContact O-N 3.11Å; L98-F128 WeakPolarHBondContact O-CD1 3.35Å; L98-D133 HydrophobicContact CB-CB 4.47Å; L98-D133 HydrophobicContact CD2-CB 4.31Å; L98-V137 HydrophobicContact CB-CG2 3.8Å; L98-V137 HydrophobicContact CD1-CG2 3.87Å; L98-V137 HydrophobicContact CG-CG2 4.5Å |
| 99 | V | 92.4 | Very high | 89.2 | Confident | 21 Ų | 21 | 52 Ų | 52 | 13% | 0.127 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 124 | 175.7 | 177 | 0 | 0 | 0 | 0 | 109.1 | V91 F95 L126 F128 V137 | V91-V99 HydrophobicContact CG1-CB 4.2Å; V91-V99 HydrophobicContact CG1-CG1 3.82Å; V91-V99 HydrophobicContact CG1-CG2 4.35Å; F95-V99 HydrophobicContact CB-CB 4.22Å; F95-V99 HydrophobicContact CB-CG2 3.52Å; F95-V99 HydrophobicContact CD2-CG2 4.03Å; F95-V99 HydrophobicContact CG-CG2 4.03Å; F95-V99 PolarHBondContact O-N 3.27Å; V99-L126 HydrophobicContact CG1-CB 4.45Å; V99-L126 HydrophobicContact CG1-CD2 4.25Å; V99-L126 HydrophobicContact CG2-CD1 4.06Å; V99-F128 HydrophobicContact CG2-CD1 4.46Å; V99-F128 HydrophobicContact CG2-CE1 3.73Å; V99-F128 HydrophobicContact CG2-CZ 4.25Å; V99-V137 HydrophobicContact CG2-CG2 4.41Å |
| 100 | E | 90.2 | Very high | 89.5 | Confident | 79 Ų | 79 | 49 Ų | 49 | 37% | 0.369 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | -46 | -178.7 | 168.6 | 64 | -175.9 | 0 | 0 | 111.5 | K72 N127 L129 | K72-E100 HydrophobicContact CD-CG 4.19Å; K72-E100 VanDerWaalsContact NZ-CG 3.27Å; K72-E100 IonicContact NZ-OE1 3.04Å; K72-E100 PolarHBondContact NZ-OE1 3.36Å; E100-N127 WeakPolarHBondContact CB-O 3.37Å; E100-N127 PolarHBondContact N-O 3.27Å; E100-L129 HydrophobicContact CB-CD2 4.45Å; E100-L129 HydrophobicContact CB-CG 4.08Å; E100-L129 HydrophobicContact CG-CD2 3.94Å; E100-L129 HydrophobicContact CG-CG 4.1Å; E100-L129 WeakPolarHBondContact OE2-CG 3.22Å |
| 101 | S | 92.5 | Very high | 89.6 | Confident | 51 Ų | 51 | 54 Ų | 54 | 36% | 0.357 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 153.7 | 174.7 | 65.3 | 0 | 0 | 0 | 0 | 110.6 | N127 | S101-N127 PolarHBondContact N-O 3.1Å; S101-N127 WeakPolarHBondContact O-CB 3.42Å; S101-N127 PolarHBondContact O-N 3.48Å; S101-N127 WeakPolarHBondContact OG-CB 3.44Å; S101-N127 PolarHBondContact OG-ND2 3.49Å |
| 102 | S | 91.8 | Very high | 89.5 | Confident | 42 Ų | 42 | 55.9 Ų | 55.9 | 29% | 0.294 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 137 | 176.7 | 57.2 | 0 | 0 | 0 | 0 | 109.9 | K125 | S102-K125 WeakPolarHBondContact CA-O 3.39Å |
| 103 | E | 93.1 | Very high | 89.5 | Confident | 81 Ų | 81 | 53.7 Ų | 53.7 | 38% | 0.379 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 139.9 | 179 | 61.5 | -177 | 155.1 | 0 | 0 | 111 | V105 M124 K125 | E103-V105 HydrophobicContact CG-CG1 3.99Å; E103-M124 VanDerWaalsContact C-SD 3.51Å; E103-M124 VanDerWaalsContact O-SD 3.39Å; E103-K125 HydrophobicContact CG-CB 3.74Å; E103-K125 HydrophobicContact CG-CD 4.31Å; E103-K125 HydrophobicContact CG-CG 4.27Å; E103-K125 PolarHBondContact N-O 3.28Å; E103-K125 PolarHBondContact O-N 3.02Å; E103-K125 WeakPolarHBondContact OE1-CD 3.31Å; E103-K125 VanDerWaalsContact OE1-CE 3.26Å; E103-K125 WeakPolarHBondContact OE1-CE 3.48Å; E103-K125 IonicContact OE1-NZ 2.71Å; E103-K125 PolarHBondContact OE1-NZ 3.32Å |
| 104 | V | 91.8 | Very high | 89.6 | Confident | 67 Ų | 67 | 49.9 Ų | 49.9 | 41% | 0.406 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 122.7 | 175.1 | -179.3 | 0 | 0 | 0 | 0 | 108.7 | M84 C122 M124 | M84-V104 HydrophobicContact CG-CG2 4.47Å; V104-C122 WeakPolarHBondContact CG1-SG 3.32Å; V104-M124 HydrophobicContact CG2-CE 3.47Å; V104-M124 VanDerWaalsContact CG2-CE 3.47Å; V104-M124 HydrophobicContact CG2-SD 4.17Å |
| 105 | V | 93.4 | Very high | 89.7 | Confident | 28 Ų | 28 | 49.7 Ų | 49.7 | 17% | 0.17 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 148.9 | -178.9 | -62.9 | 0 | 0 | 0 | 0 | 111.6 | Y76 E103 K107 Y123 K125 | Y76-V105 HydrophobicContact CD1-CG2 3.84Å; Y76-V105 HydrophobicContact CE1-CG2 3.67Å; E103-V105 HydrophobicContact CG-CG1 3.99Å; V105-K107 HydrophobicContact CG2-CG 4.36Å; V105-Y123 WeakPolarHBondContact CG2-O 3.26Å; V105-Y123 PolarHBondContact N-O 3.09Å; V105-Y123 PolarHBondContact O-N 2.9Å; V105-Y123 VanDerWaalsContact O-O 3.11Å; V105-K125 HydrophobicContact CG1-CB 4.39Å; V105-K125 HydrophobicContact CG2-CB 4.12Å |
| 106 | W | 93.4 | Very high | 89.7 | Confident | 151 Ų | 151 | 50.4 Ų | 50.4 | 57% | 0.572 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 115.8 | 178 | -67.8 | 85.2 | 0 | 0 | 0 | 109.6 | K120 C122 | W106-K120 HydrophobicContact CB-CB 4.08Å; W106-K120 HydrophobicContact CB-CD 3.97Å; W106-K120 HydrophobicContact CE3-CB 4Å; W106-C122 HydrophobicContact CD2-CB 4.13Å; W106-C122 HydrophobicContact CE3-CB 3.94Å; W106-C122 HydrophobicContact CH2-CB 3.8Å; W106-C122 HydrophobicContact CZ2-CB 3.96Å; W106-C122 HydrophobicContact CZ3-CB 3.79Å |
| 107 | K | 94 | Very high | 89.9 | Confident | 10 Ų | 10 | 47.4 Ų | 47.4 | 4% | 0.043 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 148.8 | -177.4 | -61.6 | -68.4 | -65.6 | -179.4 | 0 | 111.2 | V105 D109 K120 R121 Y123 D474 V476 | V105-K107 HydrophobicContact CG2-CG 4.36Å; K107-D109 PolarHBondContact O-N 3.41Å; K107-K120 WeakPolarHBondContact O-CA 3.42Å; K107-K120 WeakPolarHBondContact O-CB 3.33Å; K107-R121 PolarHBondContact N-O 3.45Å; K107-R121 PolarHBondContact O-N 2.86Å; K107-Y123 HydrophobicContact CB-CD2 4.01Å; K107-Y123 HydrophobicContact CB-CE2 4.27Å; K107-Y123 HydrophobicContact CG-CD2 4.18Å; K107-D474 WeakPolarHBondContact CD-OD1 3.49Å; K107-D474 VanDerWaalsContact CE-OD1 3.31Å; K107-D474 WeakPolarHBondContact CE-OD1 3.31Å; K107-D474 IonicContact NZ-OD1 3.06Å; K107-D474 PolarHBondContact NZ-OD1 2.87Å; K107-V476 HydrophobicContact CB-CB 4.04Å |
| 108 | N | 92.5 | Very high | 89.9 | Confident | 38 Ų | 38 | 46.8 Ų | 46.8 | 20% | 0.203 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -69.6 | 111.4 | 167.8 | -65.8 | -43.5 | 0 | 0 | 0 | 108.4 | K120 H473 D474 I475 V476 | N108-K120 WeakPolarHBondContact OD1-CE 3.44Å; N108-H473 PolarHBondContact ND2-O 3.03Å; N108-D474 WeakPolarHBondContact CB-O 3.34Å; N108-D474 PolarHBondContact N-O 2.93Å; N108-I475 HydrophobicContact CB-CG1 4.14Å; N108-I475 WeakPolarHBondContact O-CA 3.49Å; N108-V476 PolarHBondContact O-N 3.33Å |
| 109 | D | 92.6 | Very high | 89.7 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | trans | -109.1 | 103.9 | 175.3 | -170.9 | -17.2 | 0 | 0 | 0 | 109.4 | K107 E111 L112 R121 Y123 R184 V476 | K107-D109 PolarHBondContact O-N 3.41Å; D109-E111 PolarHBondContact O-N 3.31Å; D109-E111 WeakPolarHBondContact OD1-CB 3.29Å; D109-E111 PolarHBondContact OD1-N 3.37Å; D109-L112 HydrophobicContact CB-CD1 4.2Å; D109-L112 HydrophobicContact CB-CG 4.13Å; D109-L112 WeakPolarHBondContact O-CB 3.45Å; D109-L112 PolarHBondContact O-N 2.9Å; D109-R121 HydrophobicContact CB-CB 3.83Å; D109-R121 WeakPolarHBondContact OD2-CD 3.49Å; D109-R121 IonicContact OD2-CZ 3.41Å; D109-R121 IonicContact OD2-NE 2.9Å; D109-R121 IonicContact OD2-NH1 3.89Å; D109-R121 PolarHBondContact OD2-NH1 2.96Å; D109-Y123 HydrophobicContact CB-CE2 4.49Å; D109-Y123 PolarHBondContact OD2-OH 3.41Å; D109-R184 IonicContact OD1-NH2 3.85Å; D109-R184 IonicContact OD2-NH2 3.55Å; D109-R184 PolarHBondContact OD2-NH2 3.5Å; D109-V476 HydrophobicContact CB-CG1 3.73Å | ||
| 110 | L | 92 | Very high | 89.5 | Confident | 24 Ų | 24 | 49.3 Ų | 49.3 | 13% | 0.126 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -10.5 | -177.8 | -55.4 | -175.7 | 0 | 0 | 0 | 112.8 | L112 H115 I475 H711 F713 | L110-L112 VanDerWaalsContact C-N 3.3Å; L110-H115 PolarHBondContact O-ND1 2.79Å; L110-I475 HydrophobicContact CD1-CD1 4.21Å; L110-I475 HydrophobicContact CD1-CG2 4.11Å; L110-I475 HydrophobicContact CG-CG2 4.04Å; L110-H711 HydrophobicContact CD1-CB 4.46Å; L110-H711 HydrophobicContact CD2-CB 3.81Å; L110-F713 HydrophobicContact CD1-CD1 3.95Å; L110-F713 HydrophobicContact CD1-CE1 3.62Å |
| 111 | E | 88.2 | Confident | 89.6 | Confident | 112 Ų | 112 | 48.3 Ų | 48.3 | 52% | 0.523 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -9.8 | 171.1 | -62.9 | 178 | -164 | 0 | 0 | 112.5 | D109 A113 R184 P478 | D109-E111 PolarHBondContact O-N 3.31Å; D109-E111 WeakPolarHBondContact OD1-CB 3.29Å; D109-E111 PolarHBondContact OD1-N 3.37Å; E111-A113 PolarHBondContact O-N 3.45Å; E111-R184 IonicContact OE1-CZ 2.85Å; E111-R184 IonicContact OE1-NH1 3.46Å; E111-R184 PolarHBondContact OE1-NH1 3.26Å; E111-R184 IonicContact OE1-NH2 3.06Å; E111-R184 IonicContact OE2-CZ 2.73Å; E111-R184 IonicContact OE2-NH1 3.94Å; E111-R184 PolarHBondContact OE2-NH1 2.84Å; E111-R184 IonicContact OE2-NH2 3.08Å; E111-R184 PolarHBondContact OE2-NH2 3Å; E111-P478 WeakPolarHBondContact OE1-CB 2.98Å |
| 112 | L | 86.9 | Confident | 89.5 | Confident | 39 Ų | 39 | 46.8 Ų | 46.8 | 20% | 0.204 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -68.1 | 125.1 | 169.9 | -73.9 | 172.9 | 0 | 0 | 0 | 110.1 | D109 L110 N114 H115 R121 | D109-L112 HydrophobicContact CB-CD1 4.2Å; D109-L112 HydrophobicContact CB-CG 4.13Å; D109-L112 WeakPolarHBondContact O-CB 3.45Å; D109-L112 PolarHBondContact O-N 2.9Å; L110-L112 VanDerWaalsContact C-N 3.3Å; L112-N114 PolarHBondContact O-N 2.89Å; L112-H115 HydrophobicContact CB-CB 4.08Å; L112-H115 PolarHBondContact O-N 2.84Å; L112-H115 VanDerWaalsContact O-N 3.13Å; L112-H115 PolarHBondContact O-ND1 3.49Å; L112-R121 HydrophobicContact CD1-CB 3.87Å; L112-R121 HydrophobicContact CG-CB 4.45Å |
| 113 | A | 81.4 | Confident | 89.6 | Confident | 33 Ų | 33 | 44.8 Ų | 44.8 | 27% | 0.273 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -20.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115 | E111 K613 | E111-A113 PolarHBondContact O-N 3.45Å; A113-K613 HydrophobicContact CB-CB 4.04Å; A113-K613 HydrophobicContact CB-CD 3.74Å |
| 114 | N | 85.5 | Confident | 89.6 | Confident | 44 Ų | 44 | 41 Ų | 41 | 24% | 0.235 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.3 | 31 | -179.9 | -166.6 | 24.8 | 0 | 0 | 0 | 112.9 | L112 L116 S117 K613 C614 I615 | L112-N114 PolarHBondContact O-N 2.89Å; N114-L116 PolarHBondContact O-N 3.25Å; N114-L116 VanDerWaalsContact O-N 3.17Å; N114-S117 WeakPolarHBondContact O-CB 3.17Å; N114-S117 PolarHBondContact O-N 2.82Å; N114-S117 VanDerWaalsContact O-N 3.09Å; N114-S117 PolarHBondContact O-OG 3.46Å; N114-K613 WeakPolarHBondContact CB-O 3.24Å; N114-K613 PolarHBondContact ND2-O 3.28Å; N114-K613 PolarHBondContact OD1-O 3.4Å; N114-C614 WeakPolarHBondContact OD1-CA 3.26Å; N114-I615 VanDerWaalsContact ND2-CG2 3.26Å; N114-I615 WeakPolarHBondContact ND2-CG2 3.46Å; N114-I615 WeakPolarHBondContact OD1-CG2 3.4Å; N114-I615 PolarHBondContact OD1-N 3.21Å |
| 115 | H | 87.8 | Confident | 89.8 | Confident | 25 Ų | 25 | 39.6 Ų | 39.6 | 12% | 0.116 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -59.5 | -26.5 | -178.7 | 66.5 | -91 | 0 | 0 | 0 | 113.1 | L110 L112 S117 G118 E710 | L110-H115 PolarHBondContact O-ND1 2.79Å; L112-H115 HydrophobicContact CB-CB 4.08Å; L112-H115 PolarHBondContact O-N 2.84Å; L112-H115 VanDerWaalsContact O-N 3.13Å; L112-H115 PolarHBondContact O-ND1 3.49Å; H115-S117 PolarHBondContact O-N 3.49Å; H115-S117 VanDerWaalsContact O-N 3.15Å; H115-G118 WeakPolarHBondContact O-CA 3.46Å; H115-G118 PolarHBondContact O-N 3.43Å; H115-E710 IonicContact CE1-OE1 3.98Å; H115-E710 PolarHBondContact CE1-OE1 3.33Å; H115-E710 IonicContact CE1-OE2 3.59Å; H115-E710 PolarHBondContact CE1-OE2 3.32Å; H115-E710 IonicContact NE2-OE1 2.94Å; H115-E710 PolarHBondContact NE2-OE1 3.27Å; H115-E710 IonicContact NE2-OE2 3.36Å; H115-E710 PolarHBondContact NE2-OE2 3.49Å; H115-E710 VanDerWaalsContact NE2-OE2 3.17Å |
| 116 | L | 89 | Confident | 89.9 | Confident | 18 Ų | 18 | 38.3 Ų | 38.3 | 9% | 0.094 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -63.2 | -17.9 | 176.5 | -64 | -179.7 | 0 | 0 | 0 | 114 | N114 G118 Y616 R709 | N114-L116 PolarHBondContact O-N 3.25Å; N114-L116 VanDerWaalsContact O-N 3.17Å; L116-G118 PolarHBondContact O-N 3.25Å; L116-Y616 HydrophobicContact CB-CD2 4.09Å; L116-Y616 HydrophobicContact CB-CE2 3.93Å; L116-R709 HydrophobicContact CD1-CB 4.22Å; L116-R709 HydrophobicContact CD1-CG 4.32Å; L116-R709 WeakPolarHBondContact CD2-O 3.29Å |
| 117 | S | 86.3 | Confident | 90.1 | Very high | 29 Ų | 29 | 31.6 Ų | 31.6 | 20% | 0.203 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -68.1 | -9.1 | 169.5 | 67.5 | 0 | 0 | 0 | 0 | 113.4 | N114 H115 A119 K858 | N114-S117 WeakPolarHBondContact O-CB 3.17Å; N114-S117 PolarHBondContact O-N 2.82Å; N114-S117 VanDerWaalsContact O-N 3.09Å; N114-S117 PolarHBondContact O-OG 3.46Å; H115-S117 PolarHBondContact O-N 3.49Å; H115-S117 VanDerWaalsContact O-N 3.15Å; S117-A119 VanDerWaalsContact C-N 3.33Å; S117-A119 VanDerWaalsContact OG-CB 3.3Å; S117-A119 WeakPolarHBondContact OG-CB 3.42Å; S117-A119 PolarHBondContact OG-N 3.07Å; S117-K858 PolarHBondContact O-NZ 3.12Å |
| 118 | G | 83.6 | Confident | 90.2 | Very high | 36 Ų | 36 | 31.1 Ų | 31.1 | 37% | 0.371 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 6.5 | -167.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | H115 L116 K120 | H115-G118 WeakPolarHBondContact O-CA 3.46Å; H115-G118 PolarHBondContact O-N 3.43Å; L116-G118 PolarHBondContact O-N 3.25Å; G118-K120 PolarHBondContact O-N 2.95Å |
| 119 | A | 84.9 | Confident | 90.2 | Very high | 44 Ų | 44 | 30.4 Ų | 30.4 | 36% | 0.364 | 17% | 0.17 | S | C | . | . | P | Polyproline II helix | trans | -60.3 | 117.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.2 | S117 | S117-A119 VanDerWaalsContact C-N 3.33Å; S117-A119 VanDerWaalsContact OG-CB 3.3Å; S117-A119 WeakPolarHBondContact OG-CB 3.42Å; S117-A119 PolarHBondContact OG-N 3.07Å |
| 120 | K | 89.3 | Confident | 90.2 | Very high | 82 Ų | 82 | 30.4 Ų | 30.4 | 36% | 0.357 | 17% | 0.17 | S | C | . | . | P | Polyproline II helix | trans | -94.7 | 151.6 | 172.2 | -67.1 | -167 | 176.6 | -162.5 | 0 | 109.8 | W106 K107 N108 G118 D474 | W106-K120 HydrophobicContact CB-CB 4.08Å; W106-K120 HydrophobicContact CB-CD 3.97Å; W106-K120 HydrophobicContact CE3-CB 4Å; K107-K120 WeakPolarHBondContact O-CA 3.42Å; K107-K120 WeakPolarHBondContact O-CB 3.33Å; N108-K120 WeakPolarHBondContact OD1-CE 3.44Å; G118-K120 PolarHBondContact O-N 2.95Å; K120-D474 IonicContact NZ-OD2 2.81Å; K120-D474 PolarHBondContact NZ-OD2 3.44Å |
| 121 | R | 90.8 | Very high | 90.3 | Very high | 58 Ų | 58 | 31.8 Ų | 31.8 | 22% | 0.219 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 133.8 | 169.9 | -174.4 | 167.7 | -87 | 168.1 | -14.7 | 108.9 | K107 D109 L112 Y123 | K107-R121 PolarHBondContact N-O 3.45Å; K107-R121 PolarHBondContact O-N 2.86Å; D109-R121 HydrophobicContact CB-CB 3.83Å; D109-R121 WeakPolarHBondContact OD2-CD 3.49Å; D109-R121 IonicContact OD2-CZ 3.41Å; D109-R121 IonicContact OD2-NE 2.9Å; D109-R121 IonicContact OD2-NH1 3.89Å; D109-R121 PolarHBondContact OD2-NH1 2.96Å; L112-R121 HydrophobicContact CD1-CB 3.87Å; L112-R121 HydrophobicContact CG-CB 4.45Å; R121-Y123 HydrophobicContact CB-CD2 4.18Å; R121-Y123 HydrophobicContact CB-CE2 3.64Å; R121-Y123 VanDerWaalsContact CD-OH 3.32Å; R121-Y123 WeakPolarHBondContact CD-OH 3.34Å; R121-Y123 HydrophobicContact CG-CD2 4.12Å; R121-Y123 HydrophobicContact CG-CE2 3.64Å; R121-Y123 WeakPolarHBondContact O-CD2 3.43Å |
| 122 | C | 91.4 | Very high | 90.4 | Very high | 19 Ų | 19 | 30.6 Ų | 30.6 | 13% | 0.128 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 130.8 | 172.4 | -167.9 | 0 | 0 | 0 | 0 | 109.5 | V104 W106 | V104-C122 WeakPolarHBondContact CG1-SG 3.32Å; W106-C122 HydrophobicContact CD2-CB 4.13Å; W106-C122 HydrophobicContact CE3-CB 3.94Å; W106-C122 HydrophobicContact CH2-CB 3.8Å; W106-C122 HydrophobicContact CZ2-CB 3.96Å; W106-C122 HydrophobicContact CZ3-CB 3.79Å |
| 123 | Y | 94.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 144.4 | 178 | -74.9 | -82.1 | 0 | 0 | 0 | 109.3 | I77 A78 V105 K107 D109 R121 R184 V476 | I77-Y123 CarbonylContact O-C 3.26Å; I77-Y123 WeakPolarHBondContact O-CA 3.24Å; A78-Y123 HydrophobicContact CB-CD1 3.82Å; A78-Y123 HydrophobicContact CB-CE1 3.65Å; V105-Y123 WeakPolarHBondContact CG2-O 3.26Å; V105-Y123 PolarHBondContact N-O 3.09Å; V105-Y123 PolarHBondContact O-N 2.9Å; V105-Y123 VanDerWaalsContact O-O 3.11Å; K107-Y123 HydrophobicContact CB-CD2 4.01Å; K107-Y123 HydrophobicContact CB-CE2 4.27Å; K107-Y123 HydrophobicContact CG-CD2 4.18Å; D109-Y123 HydrophobicContact CB-CE2 4.49Å; D109-Y123 PolarHBondContact OD2-OH 3.41Å; R121-Y123 HydrophobicContact CB-CD2 4.18Å; R121-Y123 HydrophobicContact CB-CE2 3.64Å; R121-Y123 VanDerWaalsContact CD-OH 3.32Å; R121-Y123 WeakPolarHBondContact CD-OH 3.34Å; R121-Y123 HydrophobicContact CG-CD2 4.12Å; R121-Y123 HydrophobicContact CG-CE2 3.64Å; R121-Y123 WeakPolarHBondContact O-CD2 3.43Å; Y123-R184 HydrophobicContact CE1-CG 3.69Å; Y123-R184 PolarHBondContact OH-NE 3.15Å; Y123-V476 HydrophobicContact CE2-CB 4.33Å; Y123-V476 HydrophobicContact CE2-CG1 4.05Å; Y123-V476 HydrophobicContact CE2-CG2 4.25Å |
| 124 | M | 93.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 118.3 | 163.7 | -173.3 | 63.2 | 66.6 | 0 | 0 | 108.8 | Y76 I77 M84 A88 E103 V104 L126 | Y76-M124 WeakPolarHBondContact CA-O 3.32Å; I77-M124 PolarHBondContact N-O 2.96Å; I77-M124 PolarHBondContact O-N 3.36Å; M84-M124 HydrophobicContact CE-CB 3.99Å; M84-M124 HydrophobicContact CE-CE 3.48Å; M84-M124 VanDerWaalsContact CE-CE 3.48Å; M84-M124 HydrophobicContact SD-CE 4.48Å; A88-M124 HydrophobicContact CB-CE 3.36Å; E103-M124 VanDerWaalsContact C-SD 3.51Å; E103-M124 VanDerWaalsContact O-SD 3.39Å; V104-M124 HydrophobicContact CG2-CE 3.47Å; V104-M124 VanDerWaalsContact CG2-CE 3.47Å; V104-M124 HydrophobicContact CG2-SD 4.17Å; M124-L126 HydrophobicContact CG-CD2 3.68Å |
| 125 | K | 95.7 | Very high | 91.7 | Very high | 37 Ų | 37 | 29.6 Ų | 29.6 | 16% | 0.161 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 117.1 | 171.1 | 179.2 | 170.7 | 157.9 | -142.2 | 0 | 108.7 | Y74 Y76 S102 E103 V105 N127 | Y74-K125 HydrophobicContact CD2-CD 3.81Å; Y74-K125 HydrophobicContact CD2-CG 3.85Å; Y74-K125 HydrophobicContact CE2-CD 4.18Å; Y74-K125 HydrophobicContact CG-CD 4.11Å; Y74-K125 HydrophobicContact CG-CG 4.14Å; Y76-K125 HydrophobicContact CD1-CB 3.69Å; Y76-K125 HydrophobicContact CD1-CD 4.43Å; Y76-K125 HydrophobicContact CD1-CG 4.07Å; Y76-K125 HydrophobicContact CE1-CB 3.67Å; Y76-K125 HydrophobicContact CE1-CD 3.62Å; Y76-K125 HydrophobicContact CE1-CG 3.76Å; S102-K125 WeakPolarHBondContact CA-O 3.39Å; E103-K125 HydrophobicContact CG-CB 3.74Å; E103-K125 HydrophobicContact CG-CD 4.31Å; E103-K125 HydrophobicContact CG-CG 4.27Å; E103-K125 PolarHBondContact N-O 3.28Å; E103-K125 PolarHBondContact O-N 3.02Å; E103-K125 WeakPolarHBondContact OE1-CD 3.31Å; E103-K125 VanDerWaalsContact OE1-CE 3.26Å; E103-K125 WeakPolarHBondContact OE1-CE 3.48Å; E103-K125 IonicContact OE1-NZ 2.71Å; E103-K125 PolarHBondContact OE1-NZ 3.32Å; V105-K125 HydrophobicContact CG1-CB 4.39Å; V105-K125 HydrophobicContact CG2-CB 4.12Å; K125-N127 VanDerWaalsContact CE-OD1 3.22Å; K125-N127 WeakPolarHBondContact CE-OD1 3.43Å |
| 126 | L | 96 | Very high | 91.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 119.3 | 174.5 | -59.9 | -166.7 | 0 | 0 | 0 | 109.3 | Y74 F75 I77 V91 F95 V99 M124 F128 V137 | Y74-L126 WeakPolarHBondContact CA-O 3.43Å; Y74-L126 WeakPolarHBondContact CB-O 3.4Å; F75-L126 HydrophobicContact CE2-CD1 4.34Å; F75-L126 HydrophobicContact CZ-CD1 4.41Å; F75-L126 PolarHBondContact N-O 2.97Å; F75-L126 PolarHBondContact O-N 2.63Å; I77-L126 HydrophobicContact CD1-CD1 3.3Å; I77-L126 HydrophobicContact CD1-CG 3.77Å; I77-L126 HydrophobicContact CG1-CD1 4.37Å; I77-L126 HydrophobicContact CG1-CG 4.46Å; V91-L126 HydrophobicContact CG1-CD2 3.97Å; V91-L126 HydrophobicContact CG2-CD2 4.32Å; F95-L126 HydrophobicContact CE2-CD1 4.45Å; V99-L126 HydrophobicContact CG1-CB 4.45Å; V99-L126 HydrophobicContact CG1-CD2 4.25Å; V99-L126 HydrophobicContact CG2-CD1 4.06Å; M124-L126 HydrophobicContact CG-CD2 3.68Å; L126-F128 HydrophobicContact CB-CE2 3.78Å; L126-F128 HydrophobicContact CB-CZ 3.74Å; L126-F128 HydrophobicContact CD1-CZ 4.28Å; L126-F128 WeakPolarHBondContact O-CD2 3.4Å; L126-F128 WeakPolarHBondContact O-CE2 3.34Å; L126-V137 HydrophobicContact CD1-CG1 4.36Å |
| 127 | N | 96 | Very high | 92.1 | Very high | 11 Ų | 11 | 30.2 Ų | 30.2 | 6% | 0.059 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 141.7 | 175.7 | -60.7 | -81.4 | 0 | 0 | 0 | 109.7 | K72 E100 S101 K125 | K72-N127 HydrophobicContact CB-CB 4.38Å; K72-N127 HydrophobicContact CD-CB 4.32Å; E100-N127 WeakPolarHBondContact CB-O 3.37Å; E100-N127 PolarHBondContact N-O 3.27Å; S101-N127 PolarHBondContact N-O 3.1Å; S101-N127 WeakPolarHBondContact O-CB 3.42Å; S101-N127 PolarHBondContact O-N 3.48Å; S101-N127 WeakPolarHBondContact OG-CB 3.44Å; S101-N127 PolarHBondContact OG-ND2 3.49Å; K125-N127 VanDerWaalsContact CE-OD1 3.22Å; K125-N127 WeakPolarHBondContact CE-OD1 3.43Å |
| 128 | F | 95.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 156.4 | -177.7 | -57.9 | -87.8 | 0 | 0 | 0 | 110 | K72 P73 F75 L98 V99 L126 D133 L134 V137 | K72-F128 WeakPolarHBondContact CB-O 3.37Å; P73-F128 VanDerWaalsContact CD-O 3.25Å; P73-F128 WeakPolarHBondContact CD-O 3.17Å; P73-F128 WeakPolarHBondContact O-CD2 3.47Å; P73-F128 PolarHBondContact O-N 2.99Å; F75-F128 AromaticContact CD1-CE2 3.67Å; F75-F128 HydrophobicContact CD1-CE2 3.67Å; F75-F128 HydrophobicContact CD1-CZ 4.16Å; F75-F128 AromaticContact CE1-CE2 3.37Å; F75-F128 HydrophobicContact CE1-CE2 3.37Å; F75-F128 AromaticContact CE1-CZ 3.38Å; F75-F128 HydrophobicContact CE1-CZ 3.38Å; F75-F128 HydrophobicContact CZ-CE2 4.02Å; F75-F128 AromaticContact CZ-CZ 3.69Å; F75-F128 HydrophobicContact CZ-CZ 3.69Å; L98-F128 WeakPolarHBondContact O-CD1 3.35Å; V99-F128 HydrophobicContact CG2-CD1 4.46Å; V99-F128 HydrophobicContact CG2-CE1 3.73Å; V99-F128 HydrophobicContact CG2-CZ 4.25Å; L126-F128 HydrophobicContact CB-CE2 3.78Å; L126-F128 HydrophobicContact CB-CZ 3.74Å; L126-F128 HydrophobicContact CD1-CZ 4.28Å; L126-F128 WeakPolarHBondContact O-CD2 3.4Å; L126-F128 WeakPolarHBondContact O-CE2 3.34Å; F128-D133 HydrophobicContact CB-CB 4.47Å; F128-D133 HydrophobicContact CD1-CB 4.06Å; F128-L134 HydrophobicContact CB-CB 4.18Å; F128-L134 HydrophobicContact CD1-CB 4.26Å; F128-L134 HydrophobicContact CD2-CB 3.68Å; F128-L134 HydrophobicContact CD2-CD1 3.87Å; F128-L134 HydrophobicContact CD2-CG 3.81Å; F128-L134 HydrophobicContact CE2-CB 4.14Å; F128-L134 HydrophobicContact CE2-CD1 4.25Å; F128-L134 HydrophobicContact CE2-CG 3.93Å; F128-L134 HydrophobicContact CG-CB 3.76Å; F128-L134 HydrophobicContact CG-CG 4.41Å; F128-V137 HydrophobicContact CE1-CB 3.79Å; F128-V137 HydrophobicContact CE1-CG1 4.2Å; F128-V137 HydrophobicContact CE1-CG2 3.76Å; F128-V137 HydrophobicContact CZ-CB 4.08Å; F128-V137 HydrophobicContact CZ-CG1 4.16Å |
| 129 | L | 93.1 | Very high | 92.8 | Very high | 22 Ų | 22 | 32.8 Ų | 32.8 | 12% | 0.115 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -75.6 | -42.3 | 168.2 | -72.3 | 175 | 0 | 0 | 0 | 110.6 | R48 V50 S51 E100 | R48-L129 HydrophobicContact CB-CD1 4.31Å; V50-L129 CarbonylContact C-O 3.6Å; V50-L129 WeakPolarHBondContact CA-O 3.18Å; V50-L129 HydrophobicContact CG2-CB 4.49Å; V50-L129 HydrophobicContact CG2-CD2 4.37Å; S51-L129 PolarHBondContact N-O 2.89Å; E100-L129 HydrophobicContact CB-CD2 4.45Å; E100-L129 HydrophobicContact CB-CG 4.08Å; E100-L129 HydrophobicContact CG-CD2 3.94Å; E100-L129 HydrophobicContact CG-CG 4.1Å; E100-L129 WeakPolarHBondContact OE2-CG 3.22Å |
| 130 | S | 93.8 | Very high | 93 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -126.7 | 158.5 | -177.7 | 81.3 | 0 | 0 | 0 | 0 | 113.9 | S49 S51 S132 D133 L134 | S49-S130 WeakPolarHBondContact O-CB 3.36Å; S51-S130 VanDerWaalsContact OG-CA 3.29Å; S51-S130 WeakPolarHBondContact OG-CA 3.12Å; S130-S132 PolarHBondContact O-N 3.18Å; S130-S132 WeakPolarHBondContact OG-CB 3.49Å; S130-S132 PolarHBondContact OG-N 3.19Å; S130-D133 WeakPolarHBondContact CB-OD2 3.4Å; S130-D133 PolarHBondContact N-OD2 2.92Å; S130-D133 PolarHBondContact O-N 2.94Å; S130-D133 PolarHBondContact OG-N 2.78Å; S130-D133 VanDerWaalsContact OG-N 3.15Å; S130-D133 PolarHBondContact OG-OD1 2.85Å; S130-D133 PolarHBondContact OG-OD2 3.21Å; S130-L134 PolarHBondContact O-N 2.93Å |
| 131 | V | 92.7 | Very high | 93.1 | Very high | 54 Ų | 54 | 29.7 Ų | 29.7 | 33% | 0.327 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -64.6 | -26.7 | 171.1 | 174.2 | 0 | 0 | 0 | 0 | 110.6 | S51 P73 L134 V135 Y190 | S51-V131 WeakPolarHBondContact OG-CG2 3.44Å; S51-V131 PolarHBondContact OG-N 3.18Å; P73-V131 HydrophobicContact CB-CG2 4.3Å; P73-V131 HydrophobicContact CG-CG2 3.86Å; V131-L134 PolarHBondContact O-N 3.32Å; V131-V135 HydrophobicContact CG1-CG2 4.2Å; V131-V135 WeakPolarHBondContact O-CB 3.26Å; V131-V135 VanDerWaalsContact O-CG2 3.26Å; V131-V135 WeakPolarHBondContact O-CG2 3.5Å; V131-V135 PolarHBondContact O-N 3.13Å; V131-Y190 HydrophobicContact CG2-CD1 4.39Å; V131-Y190 HydrophobicContact CG2-CD2 3.87Å; V131-Y190 HydrophobicContact CG2-CG 3.72Å |
| 132 | S | 90.9 | Very high | 92.8 | Very high | 86 Ų | 86 | 28.4 Ų | 28.4 | 60% | 0.601 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -64.3 | -45.3 | 176.8 | -170.5 | 0 | 0 | 0 | 0 | 111.4 | S130 V135 S136 | S130-S132 PolarHBondContact O-N 3.18Å; S130-S132 WeakPolarHBondContact OG-CB 3.49Å; S130-S132 PolarHBondContact OG-N 3.19Å; S132-V135 PolarHBondContact O-N 3.36Å; S132-S136 PolarHBondContact O-N 3.18Å |
| 133 | D | 93.5 | Very high | 92.3 | Very high | 34 Ų | 34 | 35.4 Ų | 35.4 | 18% | 0.182 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.1 | -41.8 | 179.2 | -49.6 | -39.4 | 0 | 0 | 0 | 110.3 | L98 F128 S130 V135 S136 V137 | L98-D133 HydrophobicContact CB-CB 4.47Å; L98-D133 HydrophobicContact CD2-CB 4.31Å; F128-D133 HydrophobicContact CB-CB 4.47Å; F128-D133 HydrophobicContact CD1-CB 4.06Å; S130-D133 WeakPolarHBondContact CB-OD2 3.4Å; S130-D133 PolarHBondContact N-OD2 2.92Å; S130-D133 PolarHBondContact O-N 2.94Å; S130-D133 PolarHBondContact OG-N 2.78Å; S130-D133 VanDerWaalsContact OG-N 3.15Å; S130-D133 PolarHBondContact OG-OD1 2.85Å; S130-D133 PolarHBondContact OG-OD2 3.21Å; D133-V135 VanDerWaalsContact C-N 3.35Å; D133-V135 PolarHBondContact O-N 3.49Å; D133-S136 PolarHBondContact O-N 3.38Å; D133-V137 PolarHBondContact O-N 3.15Å; D133-V137 VanDerWaalsContact O-N 3.08Å |
| 134 | L | 95.3 | Very high | 91.6 | Very high | 15 Ų | 15 | 38.5 Ų | 38.5 | 8% | 0.079 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -54.2 | -50.2 | 173.1 | -176.5 | 155.9 | 0 | 0 | 0 | 111.5 | P73 F75 F128 S130 V131 S136 V137 R138 | P73-L134 HydrophobicContact CB-CB 4.48Å; P73-L134 HydrophobicContact CB-CD1 3.53Å; F75-L134 HydrophobicContact CD1-CD1 4.04Å; F75-L134 HydrophobicContact CD1-CD2 3.97Å; F75-L134 HydrophobicContact CD1-CG 3.65Å; F75-L134 HydrophobicContact CE1-CD2 4.24Å; F75-L134 HydrophobicContact CE1-CG 3.86Å; F128-L134 HydrophobicContact CB-CB 4.18Å; F128-L134 HydrophobicContact CD1-CB 4.26Å; F128-L134 HydrophobicContact CD2-CB 3.68Å; F128-L134 HydrophobicContact CD2-CD1 3.87Å; F128-L134 HydrophobicContact CD2-CG 3.81Å; F128-L134 HydrophobicContact CE2-CB 4.14Å; F128-L134 HydrophobicContact CE2-CD1 4.25Å; F128-L134 HydrophobicContact CE2-CG 3.93Å; F128-L134 HydrophobicContact CG-CB 3.76Å; F128-L134 HydrophobicContact CG-CG 4.41Å; S130-L134 PolarHBondContact O-N 2.93Å; V131-L134 PolarHBondContact O-N 3.32Å; L134-S136 VanDerWaalsContact C-N 3.34Å; L134-S136 PolarHBondContact O-N 3.22Å; L134-V137 PolarHBondContact O-N 3.06Å; L134-R138 WeakPolarHBondContact O-CB 3.24Å; L134-R138 PolarHBondContact O-N 3.43Å |
| 135 | V | 92.8 | Very high | 91.1 | Very high | 46 Ų | 46 | 40.1 Ų | 40.1 | 28% | 0.279 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.4 | -41.5 | -179.6 | 164.5 | 0 | 0 | 0 | 0 | 111.3 | V131 S132 D133 R138 D139 | V131-V135 HydrophobicContact CG1-CG2 4.2Å; V131-V135 WeakPolarHBondContact O-CB 3.26Å; V131-V135 VanDerWaalsContact O-CG2 3.26Å; V131-V135 WeakPolarHBondContact O-CG2 3.5Å; V131-V135 PolarHBondContact O-N 3.13Å; S132-V135 PolarHBondContact O-N 3.36Å; D133-V135 VanDerWaalsContact C-N 3.35Å; D133-V135 PolarHBondContact O-N 3.49Å; V135-R138 PolarHBondContact O-N 2.96Å; V135-D139 WeakPolarHBondContact O-CB 3.47Å; V135-D139 PolarHBondContact O-N 3.02Å |
| 136 | S | 91.6 | Very high | 90.1 | Very high | 56 Ų | 56 | 43.8 Ų | 43.8 | 39% | 0.392 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.1 | -48.9 | 178.4 | -168.1 | 0 | 0 | 0 | 0 | 112 | S132 D133 L134 D139 E140 | S132-S136 PolarHBondContact O-N 3.18Å; D133-S136 PolarHBondContact O-N 3.38Å; L134-S136 VanDerWaalsContact C-N 3.34Å; L134-S136 PolarHBondContact O-N 3.22Å; S136-D139 PolarHBondContact O-N 2.68Å; S136-E140 PolarHBondContact O-N 3.41Å |
| 137 | V | 93.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.4 | -40.8 | -179.6 | 176.9 | 0 | 0 | 0 | 0 | 111.4 | F75 F95 L98 V99 L126 F128 D133 L134 D139 E140 I141 | F75-V137 HydrophobicContact CZ-CG1 4.05Å; F95-V137 HydrophobicContact CB-CG2 4.3Å; F95-V137 HydrophobicContact CD1-CB 4.42Å; F95-V137 HydrophobicContact CD1-CG1 3.77Å; F95-V137 HydrophobicContact CD1-CG2 3.94Å; F95-V137 HydrophobicContact CD2-CG1 4.28Å; F95-V137 HydrophobicContact CE1-CG1 3.69Å; F95-V137 HydrophobicContact CE2-CG1 4.19Å; F95-V137 HydrophobicContact CG-CG1 4.06Å; F95-V137 HydrophobicContact CG-CG2 4.23Å; F95-V137 HydrophobicContact CZ-CG1 3.88Å; L98-V137 HydrophobicContact CB-CG2 3.8Å; L98-V137 HydrophobicContact CD1-CG2 3.87Å; L98-V137 HydrophobicContact CG-CG2 4.5Å; V99-V137 HydrophobicContact CG2-CG2 4.41Å; L126-V137 HydrophobicContact CD1-CG1 4.36Å; F128-V137 HydrophobicContact CE1-CB 3.79Å; F128-V137 HydrophobicContact CE1-CG1 4.2Å; F128-V137 HydrophobicContact CE1-CG2 3.76Å; F128-V137 HydrophobicContact CZ-CB 4.08Å; F128-V137 HydrophobicContact CZ-CG1 4.16Å; D133-V137 PolarHBondContact O-N 3.15Å; D133-V137 VanDerWaalsContact O-N 3.08Å; L134-V137 PolarHBondContact O-N 3.06Å; V137-D139 VanDerWaalsContact C-N 3.33Å; V137-D139 PolarHBondContact O-N 3.18Å; V137-E140 PolarHBondContact O-N 3.32Å; V137-I141 HydrophobicContact CG1-CD1 3.76Å; V137-I141 HydrophobicContact CG1-CG1 4.44Å; V137-I141 WeakPolarHBondContact O-CG1 3.18Å; V137-I141 PolarHBondContact O-N 3.16Å |
| 138 | R | 93.3 | Very high | 87.5 | Confident | 60 Ų | 60 | 47.9 Ų | 47.9 | 23% | 0.226 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -53.9 | -50.4 | 173.3 | 175.9 | -156.3 | 69.5 | -172 | 5.2 | 111.2 | F75 L134 V135 E140 I141 I142 I183 Y186 | F75-R138 HydrophobicContact CE1-CB 4.13Å; L134-R138 WeakPolarHBondContact O-CB 3.24Å; L134-R138 PolarHBondContact O-N 3.43Å; V135-R138 PolarHBondContact O-N 2.96Å; R138-E140 VanDerWaalsContact C-N 3.27Å; R138-E140 PolarHBondContact O-N 3.11Å; R138-I141 PolarHBondContact O-N 3.07Å; R138-I142 HydrophobicContact CG-CD1 3.63Å; R138-I142 HydrophobicContact CG-CG1 4.25Å; R138-I142 WeakPolarHBondContact O-CB 3.05Å; R138-I142 WeakPolarHBondContact O-CG1 3.06Å; R138-I142 PolarHBondContact O-N 3.36Å; R138-I183 HydrophobicContact CG-CD1 4.3Å; R138-Y186 HydrophobicContact CG-CD2 3.98Å; R138-Y186 HydrophobicContact CG-CG 4.24Å |
| 139 | D | 91.3 | Very high | 85.6 | Confident | 60 Ų | 60 | 51.2 Ų | 51.2 | 32% | 0.321 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67 | -30.3 | -175.4 | -70.4 | -12.4 | 0 | 0 | 0 | 112 | V135 S136 V137 R143 | V135-D139 WeakPolarHBondContact O-CB 3.47Å; V135-D139 PolarHBondContact O-N 3.02Å; S136-D139 PolarHBondContact O-N 2.68Å; V137-D139 VanDerWaalsContact C-N 3.33Å; V137-D139 PolarHBondContact O-N 3.18Å; D139-R143 WeakPolarHBondContact O-CB 3.17Å; D139-R143 VanDerWaalsContact O-CG 3.27Å; D139-R143 WeakPolarHBondContact O-CG 3.17Å; D139-R143 PolarHBondContact O-N 2.79Å; D139-R143 PolarHBondContact O-NE 3.47Å |
| 140 | E | 89 | Confident | 83.6 | Confident | 61 Ų | 61 | 56.2 Ų | 56.2 | 29% | 0.285 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -68.1 | -47.3 | 171.3 | -168.9 | 175.2 | 176.9 | 0 | 0 | 112.2 | S136 V137 R138 R143 K144 M177 | S136-E140 PolarHBondContact O-N 3.41Å; V137-E140 PolarHBondContact O-N 3.32Å; R138-E140 VanDerWaalsContact C-N 3.27Å; R138-E140 PolarHBondContact O-N 3.11Å; E140-R143 PolarHBondContact O-N 3.48Å; E140-K144 PolarHBondContact O-N 2.79Å; E140-K144 VanDerWaalsContact O-N 3.15Å; E140-M177 HydrophobicContact CG-CE 3.88Å |
| 141 | I | 90.2 | Very high | 81.3 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.6 | -44.4 | -179.8 | -65.8 | 165.7 | 0 | 0 | 0 | 111.8 | F75 I77 F95 V137 R138 R143 K144 L145 M177 I180 I183 | F75-I141 HydrophobicContact CE2-CD1 3.92Å; F75-I141 HydrophobicContact CZ-CD1 3.97Å; I77-I141 HydrophobicContact CD1-CD1 3.42Å; I77-I141 VanDerWaalsContact CD1-CD1 3.42Å; I77-I141 HydrophobicContact CG1-CD1 4.21Å; F95-I141 HydrophobicContact CZ-CD1 4.12Å; F95-I141 HydrophobicContact CZ-CG1 4.06Å; V137-I141 HydrophobicContact CG1-CD1 3.76Å; V137-I141 HydrophobicContact CG1-CG1 4.44Å; V137-I141 WeakPolarHBondContact O-CG1 3.18Å; V137-I141 PolarHBondContact O-N 3.16Å; R138-I141 PolarHBondContact O-N 3.07Å; I141-R143 PolarHBondContact O-N 3.17Å; I141-K144 PolarHBondContact O-N 3.12Å; I141-K144 VanDerWaalsContact O-N 3.17Å; I141-L145 HydrophobicContact CG2-CD1 3.86Å; I141-L145 HydrophobicContact CG2-CG 4.23Å; I141-L145 PolarHBondContact O-N 3.24Å; I141-M177 HydrophobicContact CG1-CE 4.21Å; I141-I180 HydrophobicContact CG1-CD1 4.26Å; I141-I180 HydrophobicContact CG2-CD1 4.44Å; I141-I180 HydrophobicContact CG2-CG2 4.18Å; I141-I183 HydrophobicContact CB-CD1 4.34Å; I141-I183 HydrophobicContact CG2-CB 4.31Å; I141-I183 HydrophobicContact CG2-CD1 4.06Å |
| 142 | I | 85.8 | Confident | 78.7 | Confident | 31 Ų | 31 | 67.4 Ų | 67.4 | 16% | 0.159 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.4 | -46.9 | 178.8 | -71.5 | 177.5 | 0 | 0 | 0 | 110 | R138 K144 L145 E146 I183 Y186 | R138-I142 HydrophobicContact CG-CD1 3.63Å; R138-I142 HydrophobicContact CG-CG1 4.25Å; R138-I142 WeakPolarHBondContact O-CB 3.05Å; R138-I142 WeakPolarHBondContact O-CG1 3.06Å; R138-I142 PolarHBondContact O-N 3.36Å; I142-K144 PolarHBondContact O-N 2.89Å; I142-L145 PolarHBondContact O-N 2.86Å; I142-E146 HydrophobicContact CG2-CG 4.15Å; I142-E146 WeakPolarHBondContact CG2-OE1 3.1Å; I142-E146 WeakPolarHBondContact O-CB 3.08Å; I142-E146 VanDerWaalsContact O-CG 3.28Å; I142-E146 WeakPolarHBondContact O-CG 3.27Å; I142-E146 PolarHBondContact O-N 3.34Å; I142-I183 HydrophobicContact CG1-CG2 4.37Å; I142-Y186 HydrophobicContact CD1-CD2 3.96Å; I142-Y186 HydrophobicContact CD1-CE2 3.62Å |
| 143 | R | 81.1 | Confident | 76.1 | Confident | 166 Ų | 166 | 71.1 Ų | 71.1 | 63% | 0.626 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -56 | -40.1 | 175.9 | -81.2 | -178.7 | -73.9 | -170 | -0.7 | 112.2 | D139 E140 I141 S147 | D139-R143 WeakPolarHBondContact O-CB 3.17Å; D139-R143 VanDerWaalsContact O-CG 3.27Å; D139-R143 WeakPolarHBondContact O-CG 3.17Å; D139-R143 PolarHBondContact O-N 2.79Å; D139-R143 PolarHBondContact O-NE 3.47Å; E140-R143 PolarHBondContact O-N 3.48Å; I141-R143 PolarHBondContact O-N 3.17Å; R143-S147 WeakPolarHBondContact O-CB 3.48Å; R143-S147 PolarHBondContact O-N 2.97Å |
| 144 | K | 80 | Confident | 73.3 | Confident | 65 Ų | 65 | 72.3 Ų | 72.3 | 28% | 0.283 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69.4 | -48.6 | 177.8 | -175.4 | 65.2 | 177.5 | -177 | 0 | 112.3 | E140 I141 I142 E146 S147 M148 M177 D178 | E140-K144 PolarHBondContact O-N 2.79Å; E140-K144 VanDerWaalsContact O-N 3.15Å; I141-K144 PolarHBondContact O-N 3.12Å; I141-K144 VanDerWaalsContact O-N 3.17Å; I142-K144 PolarHBondContact O-N 2.89Å; K144-E146 VanDerWaalsContact C-N 3.3Å; K144-E146 PolarHBondContact O-N 3.32Å; K144-S147 PolarHBondContact O-N 3.45Å; K144-S147 VanDerWaalsContact O-N 3.14Å; K144-S147 PolarHBondContact O-OG 2.81Å; K144-M148 PolarHBondContact O-N 3.42Å; K144-M177 HydrophobicContact CG-CB 4.38Å; K144-D178 WeakPolarHBondContact CE-OD1 3.34Å; K144-D178 IonicContact NZ-OD1 3.22Å; K144-D178 PolarHBondContact NZ-OD1 3.48Å |
| 145 | L | 80.9 | Confident | 70.3 | Confident | 36 Ų | 36 | 77.9 Ų | 77.9 | 19% | 0.188 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.7 | -40.4 | 177.3 | -77.2 | 175.5 | 0 | 0 | 0 | 112.1 | I141 I142 S149 I180 T181 I183 | I141-L145 HydrophobicContact CG2-CD1 3.86Å; I141-L145 HydrophobicContact CG2-CG 4.23Å; I141-L145 PolarHBondContact O-N 3.24Å; I142-L145 PolarHBondContact O-N 2.86Å; L145-S149 PolarHBondContact O-N 2.96Å; L145-S149 VanDerWaalsContact O-N 3.14Å; L145-I180 HydrophobicContact CD1-CG2 4.39Å; L145-I180 HydrophobicContact CD2-CG2 4.1Å; L145-I180 HydrophobicContact CG-CG2 4.38Å; L145-T181 WeakPolarHBondContact CD2-O 3.3Å; L145-I183 HydrophobicContact CD1-CB 4.04Å; L145-I183 HydrophobicContact CD1-CG2 3.67Å |
| 146 | E | 74.9 | Confident | 67.6 | Low | 114 Ų | 114 | 79.7 Ų | 79.7 | 53% | 0.533 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 173.6 | -72.5 | 175.2 | 166 | 0 | 0 | 110.9 | I142 K144 M148 S149 E150 | I142-E146 HydrophobicContact CG2-CG 4.15Å; I142-E146 WeakPolarHBondContact CG2-OE1 3.1Å; I142-E146 WeakPolarHBondContact O-CB 3.08Å; I142-E146 VanDerWaalsContact O-CG 3.28Å; I142-E146 WeakPolarHBondContact O-CG 3.27Å; I142-E146 PolarHBondContact O-N 3.34Å; K144-E146 VanDerWaalsContact C-N 3.3Å; K144-E146 PolarHBondContact O-N 3.32Å; E146-M148 PolarHBondContact O-N 2.96Å; E146-S149 PolarHBondContact O-N 3.03Å; E146-S149 VanDerWaalsContact O-N 3.16Å; E146-S149 PolarHBondContact O-OG 3.11Å; E146-E150 PolarHBondContact O-N 3.47Å |
| 147 | S | 71.7 | Confident | 64.7 | Low | 43 Ų | 43 | 83.9 Ų | 83.9 | 30% | 0.301 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.2 | -39.2 | 177.8 | 73 | 0 | 0 | 0 | 0 | 113.9 | R143 K144 S149 E150 H151 | R143-S147 WeakPolarHBondContact O-CB 3.48Å; R143-S147 PolarHBondContact O-N 2.97Å; K144-S147 PolarHBondContact O-N 3.45Å; K144-S147 VanDerWaalsContact O-N 3.14Å; K144-S147 PolarHBondContact O-OG 2.81Å; S147-S149 VanDerWaalsContact C-N 3.31Å; S147-S149 PolarHBondContact O-N 2.94Å; S147-E150 PolarHBondContact O-N 3.38Å; S147-H151 PolarHBondContact O-CD2 3.44Å; S147-H151 VanDerWaalsContact O-CD2 3.31Å; S147-H151 PolarHBondContact O-N 2.84Å |
| 148 | M | 66.7 | Low | 61.7 | Low | 53 Ų | 53 | 88.9 Ų | 88.9 | 26% | 0.261 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.7 | -32.4 | 176.1 | -73.7 | 176.7 | 73.3 | 0 | 0 | 112.3 | K144 E146 E150 H151 K152 D178 | K144-M148 PolarHBondContact O-N 3.42Å; E146-M148 PolarHBondContact O-N 2.96Å; M148-E150 VanDerWaalsContact C-N 3.31Å; M148-H151 PolarHBondContact O-N 3.07Å; M148-K152 PolarHBondContact O-N 2.99Å; M148-D178 WeakPolarHBondContact CE-O 3.41Å |
| 149 | S | 55.6 | Low | 58.7 | Low | 70 Ų | 70 | 89.3 Ų | 89.3 | 49% | 0.49 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.6 | -29.9 | 177.1 | 77.5 | 0 | 0 | 0 | 0 | 112.7 | L145 E146 S147 | L145-S149 PolarHBondContact O-N 2.96Å; L145-S149 VanDerWaalsContact O-N 3.14Å; E146-S149 PolarHBondContact O-N 3.03Å; E146-S149 VanDerWaalsContact O-N 3.16Å; E146-S149 PolarHBondContact O-OG 3.11Å; S147-S149 VanDerWaalsContact C-N 3.31Å; S147-S149 PolarHBondContact O-N 2.94Å |
| 150 | E | 51.9 | Low | 55.7 | Low | 127 Ų | 127 | 94 Ų | 94 | 59% | 0.593 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -71.1 | -40 | 174.6 | -68.4 | -171.6 | 159.9 | 0 | 0 | 112.2 | E146 S147 M148 K152 F153 | E146-E150 PolarHBondContact O-N 3.47Å; S147-E150 PolarHBondContact O-N 3.38Å; M148-E150 VanDerWaalsContact C-N 3.31Å; E150-K152 PolarHBondContact O-N 2.82Å; E150-F153 PolarHBondContact O-N 3.2Å |
| 151 | H | 44.6 | Very low | 52.8 | Low | 125 Ų | 125 | 98.8 Ų | 98.8 | 58% | 0.579 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67 | -33.8 | 179.7 | -78.4 | -64.3 | 0 | 0 | 0 | 114.1 | S147 M148 F153 S154 D155 | S147-H151 PolarHBondContact O-CD2 3.44Å; S147-H151 VanDerWaalsContact O-CD2 3.31Å; S147-H151 PolarHBondContact O-N 2.84Å; M148-H151 PolarHBondContact O-N 3.07Å; H151-F153 PolarHBondContact O-N 3.34Å; H151-F153 VanDerWaalsContact O-N 3.14Å; H151-S154 PolarHBondContact O-N 2.95Å; H151-S154 VanDerWaalsContact O-N 3.11Å; H151-S154 PolarHBondContact O-OG 3.29Å; H151-D155 PolarHBondContact O-N 3.31Å |
| 152 | K | 39.3 | Very low | 49.9 | Very low | 168 Ų | 168 | 104.7 Ų | 104.7 | 73% | 0.73 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.2 | -17.7 | 175.1 | -75.5 | -174.2 | 177.7 | 179.4 | 0 | 113.6 | M148 E150 | M148-K152 PolarHBondContact O-N 2.99Å; E150-K152 PolarHBondContact O-N 2.82Å |
| 153 | F | 34.9 | Very low | 47.3 | Very low | 163 Ų | 163 | 111 Ų | 111 | 72% | 0.715 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -84.6 | -23.1 | 174.7 | -99.2 | -86.1 | 0 | 0 | 0 | 113.6 | E150 H151 | E150-F153 PolarHBondContact O-N 3.2Å; H151-F153 PolarHBondContact O-N 3.34Å; H151-F153 VanDerWaalsContact O-N 3.14Å |
| 154 | S | 34.9 | Very low | 44.8 | Very low | 60 Ų | 60 | 108.1 Ų | 108.1 | 42% | 0.42 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -82.2 | -36 | 176.5 | 56.9 | 0 | 0 | 0 | 0 | 113 | H151 A156 N157 | H151-S154 PolarHBondContact O-N 2.95Å; H151-S154 VanDerWaalsContact O-N 3.11Å; H151-S154 PolarHBondContact O-OG 3.29Å; S154-A156 PolarHBondContact O-N 3.1Å; S154-A156 VanDerWaalsContact O-N 3.15Å; S154-N157 CarbonylContact O-C 3.52Å; S154-N157 PolarHBondContact O-N 2.82Å |
| 155 | D | 31.6 | Very low | 42.5 | Very low | 132 Ų | 132 | 108.4 Ų | 108.4 | 71% | 0.706 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -10.3 | -173.4 | -74.3 | -10.4 | 0 | 0 | 0 | 114.6 | H151 N157 | H151-D155 PolarHBondContact O-N 3.31Å; D155-N157 PolarHBondContact O-N 2.96Å |
| 156 | A | 37.6 | Very low | 40.1 | Very low | 84 Ų | 84 | 114.5 Ų | 114.5 | 69% | 0.694 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -9.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S154 | S154-A156 PolarHBondContact O-N 3.1Å; S154-A156 VanDerWaalsContact O-N 3.15Å |
| 157 | N | 30.6 | Very low | 37.9 | Very low | 144 Ų | 144 | 116.4 Ų | 116.4 | 77% | 0.77 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -144.3 | 69.6 | -177.6 | -85.4 | -23.6 | 0 | 0 | 0 | 111.8 | S154 D155 | S154-N157 CarbonylContact O-C 3.52Å; S154-N157 PolarHBondContact O-N 2.82Å; D155-N157 PolarHBondContact O-N 2.96Å |
| 158 | S | 30.2 | Very low | 36 | Very low | 104 Ų | 104 | 125.1 Ų | 125.1 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | trans | 159.6 | 122.2 | 138.9 | 55.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 159 | G | 29.4 | Very low | 34.3 | Very low | 70 Ų | 70 | 132.5 Ų | 132.5 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | trans | -64.2 | 140.9 | 165 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 160 | I | 29.4 | Very low | 33.6 | Very low | 157 Ų | 157 | 132.9 Ų | 132.9 | 81% | 0.805 | 74% | 0.74 | S | S | * | * | trans | 59.7 | 100.3 | 155.6 | -48.2 | 174.7 | 0 | 0 | 0 | 115.6 | ||||
| 161 | N | 27.5 | Very low | 33.4 | Very low | 163 Ų | 163 | 133.1 Ų | 133.1 | 87% | 0.872 | 75% | 0.746 | S | S | * | * | trans | -164.4 | 92.7 | 133.3 | -108.4 | -18.1 | 0 | 0 | 0 | 111.2 | ||||
| 162 | T | 28.5 | Very low | 34 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 76% | 0.761 | 75% | 0.746 | S | S | * | * | trans | -89 | 111.3 | 160.7 | 46.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 163 | N | 31.5 | Very low | 35 | Very low | 164 Ų | 164 | 126.8 Ų | 126.8 | 88% | 0.877 | 73% | 0.73 | S | S | * | * | trans | -178.9 | 149.9 | 144.4 | -93.2 | -21.7 | 0 | 0 | 0 | 111.8 | ||||
| 164 | A | 29.4 | Very low | 36.5 | Very low | 105 Ų | 105 | 123.6 Ų | 123.6 | 87% | 0.868 | 72% | 0.718 | S | S | * | * | trans | 84.6 | 101.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 165 | G | 31 | Very low | 38.4 | Very low | 71 Ų | 71 | 127.2 Ų | 127.2 | 73% | 0.732 | 73% | 0.728 | S | S | * | * | cis | 98.9 | 76.2 | 42.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 166 | N | 31 | Very low | 40.7 | Very low | 163 Ų | 163 | 123.2 Ų | 123.2 | 87% | 0.872 | 70% | 0.703 | S | S | * | * | trans | -146.7 | 90.4 | 164 | -102.2 | -24.9 | 0 | 0 | 0 | 108.9 | R168 | N166-R168 PolarHBondContact O-N 2.74Å; N166-R168 VanDerWaalsContact O-N 3.08Å | ||
| 167 | I | 28.7 | Very low | 42.8 | Very low | 154 Ų | 154 | 119.5 Ų | 119.5 | 79% | 0.79 | 67% | 0.672 | S | S | * | * | trans | -65.4 | 100.4 | 173.8 | -62.3 | 164.7 | 0 | 0 | 0 | 107.4 | ||||
| 168 | R | 32.1 | Very low | 45.4 | Very low | 226 Ų | 226 | 115.7 Ų | 115.7 | 85% | 0.853 | 65% | 0.651 | S | S | * | * | trans | -105.1 | 122.3 | 155.5 | -77.2 | -175.5 | 177.3 | 175.8 | -0 | 106.1 | N166 S170 | N166-R168 PolarHBondContact O-N 2.74Å; N166-R168 VanDerWaalsContact O-N 3.08Å; R168-S170 VanDerWaalsContact C-N 3.31Å; R168-S170 PolarHBondContact O-N 3.1Å | ||
| 169 | F | 31.8 | Very low | 48 | Very low | 209 Ų | 209 | 113.1 Ų | 113.1 | 92% | 0.917 | 63% | 0.626 | S | S | * | * | trans | -54.1 | 89.9 | 176.8 | -70.8 | -95.1 | 0 | 0 | 0 | 110.4 | ||||
| 170 | S | 40.1 | Very low | 50.8 | Low | 77 Ų | 77 | 110 Ų | 110 | 54% | 0.538 | 59% | 0.592 | S | S | . | * | trans | -100.9 | 126.6 | 173.5 | 49.8 | 0 | 0 | 0 | 0 | 108.4 | R168 G172 Q174 | R168-S170 VanDerWaalsContact C-N 3.31Å; R168-S170 PolarHBondContact O-N 3.1Å; S170-G172 PolarHBondContact O-N 2.93Å; S170-Q174 VanDerWaalsContact CB-OE1 3.29Å | ||
| 171 | N | 48 | Very low | 53.6 | Low | 133 Ų | 133 | 104.9 Ų | 104.9 | 71% | 0.711 | 57% | 0.569 | S | S | * | * | trans | -46.7 | 129.8 | 172.7 | -79 | -21.1 | 0 | 0 | 0 | 109.6 | Y173 Q174 | N171-Y173 PolarHBondContact O-N 2.83Å; N171-Q174 PolarHBondContact O-N 2.72Å; N171-Q174 VanDerWaalsContact O-N 3.12Å | ||
| 172 | G | 57 | Low | 56.4 | Low | 57 Ų | 57 | 100.8 Ų | 100.8 | 59% | 0.588 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 1.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | S170 | S170-G172 PolarHBondContact O-N 2.93Š|
| 173 | Y | 59.7 | Low | 59.5 | Low | 102 Ų | 102 | 95.2 Ų | 95.2 | 40% | 0.4 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -5.7 | 176 | -56.7 | -70.3 | 0 | 0 | 0 | 113.8 | K93 N171 E175 Y176 | K93-Y173 HydrophobicContact CB-CD1 4.31Å; K93-Y173 HydrophobicContact CB-CD2 4.41Å; K93-Y173 HydrophobicContact CB-CE1 4.47Å; K93-Y173 HydrophobicContact CB-CG 4.31Å; K93-Y173 HydrophobicContact CD-CD1 4.13Å; K93-Y173 HydrophobicContact CD-CE1 3.6Å; N171-Y173 PolarHBondContact O-N 2.83Å; Y173-E175 VanDerWaalsContact C-N 3.29Å; Y173-E175 PolarHBondContact O-N 2.8Å; Y173-Y176 HydrophobicContact CD1-CD2 4.26Å; Y173-Y176 AromaticContact CD1-CE2 3.93Å; Y173-Y176 HydrophobicContact CD1-CE2 3.93Å; Y173-Y176 WeakPolarHBondContact O-CB 3.48Å; Y173-Y176 WeakPolarHBondContact O-CD2 3.44Å; Y173-Y176 PolarHBondContact O-N 3.19Å |
| 174 | Q | 66.6 | Low | 62.5 | Low | 96 Ų | 96 | 87.8 Ų | 87.8 | 45% | 0.449 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -73 | -19.5 | -177.5 | -115.3 | 155.8 | -9.5 | 0 | 0 | 113.9 | S170 N171 Y176 M177 | S170-Q174 VanDerWaalsContact CB-OE1 3.29Å; N171-Q174 PolarHBondContact O-N 2.72Å; N171-Q174 VanDerWaalsContact O-N 3.12Å; Q174-Y176 PolarHBondContact O-N 3.25Å; Q174-M177 WeakPolarHBondContact O-CB 3.31Å; Q174-M177 PolarHBondContact O-N 3.06Å |
| 175 | E | 75.2 | Confident | 65.6 | Low | 136 Ų | 136 | 82.9 Ų | 82.9 | 64% | 0.636 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -61.3 | -32.5 | 173.7 | -64.2 | 178.9 | 178.3 | 0 | 0 | 111.8 | Y173 M177 D178 | Y173-E175 VanDerWaalsContact C-N 3.29Å; Y173-E175 PolarHBondContact O-N 2.8Å; E175-M177 PolarHBondContact O-N 3.31Å; E175-D178 WeakPolarHBondContact O-CB 3.34Å; E175-D178 PolarHBondContact O-N 3.08Å |
| 176 | Y | 79.5 | Confident | 68.6 | Low | 49 Ų | 49 | 82.4 Ų | 82.4 | 19% | 0.192 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -61.4 | -26.8 | 176.6 | -67.7 | -62.2 | 0 | 0 | 0 | 113.7 | E86 F87 I94 Y173 Q174 D178 Y179 | E86-Y176 VanDerWaalsContact CD-CE1 3.49Å; E86-Y176 HydrophobicContact CG-CD1 4.48Å; E86-Y176 HydrophobicContact CG-CE1 3.63Å; E86-Y176 WeakPolarHBondContact OE1-CE1 3.39Å; E86-Y176 PolarHBondContact OE1-OH 3.2Å; F87-Y176 VanDerWaalsContact CD2-O 3.26Å; F87-Y176 WeakPolarHBondContact CD2-O 3.45Å; F87-Y176 VanDerWaalsContact CE2-O 3.3Å; F87-Y176 WeakPolarHBondContact CE2-O 3.47Å; I94-Y176 HydrophobicContact CD1-CD2 4.43Å; I94-Y176 HydrophobicContact CD1-CG 4.31Å; Y173-Y176 HydrophobicContact CD1-CD2 4.26Å; Y173-Y176 AromaticContact CD1-CE2 3.93Å; Y173-Y176 HydrophobicContact CD1-CE2 3.93Å; Y173-Y176 WeakPolarHBondContact O-CB 3.48Å; Y173-Y176 WeakPolarHBondContact O-CD2 3.44Å; Y173-Y176 PolarHBondContact O-N 3.19Å; Q174-Y176 PolarHBondContact O-N 3.25Å; Y176-D178 PolarHBondContact O-N 2.72Å; Y176-Y179 AromaticContact CD1-CD2 3.95Å; Y176-Y179 HydrophobicContact CD1-CD2 3.95Å; Y176-Y179 AromaticContact CD1-CE2 3.55Å; Y176-Y179 HydrophobicContact CD1-CE2 3.55Å; Y176-Y179 HydrophobicContact CE1-CE2 4.02Å; Y176-Y179 PolarHBondContact O-N 2.73Å |
| 177 | M | 82.7 | Confident | 71.5 | Confident | 6 Ų | 6 | 77 Ų | 77 | 3% | 0.03 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -66.5 | -22.2 | 177.3 | -67.5 | -75.4 | -102.3 | 0 | 0 | 112.2 | I94 F95 E140 I141 K144 Q174 E175 Y179 I180 | I94-M177 HydrophobicContact CG2-CG 4.24Å; I94-M177 HydrophobicContact CG2-SD 3.96Å; F95-M177 HydrophobicContact CE1-CE 3.63Å; F95-M177 HydrophobicContact CE1-SD 4.14Å; F95-M177 HydrophobicContact CE2-SD 4.24Å; F95-M177 HydrophobicContact CZ-CE 3.5Å; F95-M177 VanDerWaalsContact CZ-CE 3.5Å; F95-M177 HydrophobicContact CZ-SD 3.47Å; F95-M177 WeakPolarHBondContact CZ-SD 3.4Å; E140-M177 HydrophobicContact CG-CE 3.88Å; I141-M177 HydrophobicContact CG1-CE 4.21Å; K144-M177 HydrophobicContact CG-CB 4.38Å; Q174-M177 WeakPolarHBondContact O-CB 3.31Å; Q174-M177 PolarHBondContact O-N 3.06Å; E175-M177 PolarHBondContact O-N 3.31Å; M177-Y179 PolarHBondContact O-N 3.47Å; M177-I180 WeakPolarHBondContact O-CB 3.07Å; M177-I180 PolarHBondContact O-N 3.46Å; M177-I180 HydrophobicContact SD-CD1 3.65Å |
| 178 | D | 83.2 | Confident | 74.7 | Confident | 63 Ų | 63 | 70.6 Ų | 70.6 | 34% | 0.337 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -70.6 | -17.5 | 177.5 | -66.1 | -39.2 | 0 | 0 | 0 | 112.7 | K144 M148 E175 Y176 I180 | K144-D178 WeakPolarHBondContact CE-OD1 3.34Å; K144-D178 IonicContact NZ-OD1 3.22Å; K144-D178 PolarHBondContact NZ-OD1 3.48Å; M148-D178 WeakPolarHBondContact CE-O 3.41Å; E175-D178 WeakPolarHBondContact O-CB 3.34Å; E175-D178 PolarHBondContact O-N 3.08Å; Y176-D178 PolarHBondContact O-N 2.72Å; D178-I180 VanDerWaalsContact C-N 3.3Å |
| 179 | Y | 85.9 | Confident | 77.6 | Confident | 50 Ų | 50 | 62.7 Ų | 62.7 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -80 | -12.5 | 176.9 | -52.9 | -30.8 | 0 | 0 | 0 | 113.2 | V79 Q80 Y83 Y176 M177 T181 | V79-Y179 WeakPolarHBondContact CA-O 3.39Å; Q80-Y179 PolarHBondContact N-O 2.67Å; Y83-Y179 HydrophobicContact CD1-CD2 4.28Å; Y83-Y179 HydrophobicContact CD1-CE1 4.15Å; Y83-Y179 AromaticContact CD1-CE2 3.82Å; Y83-Y179 HydrophobicContact CD1-CE2 3.82Å; Y83-Y179 AromaticContact CD1-CZ 3.77Å; Y83-Y179 AromaticContact CD2-CD1 3.8Å; Y83-Y179 HydrophobicContact CD2-CD1 3.8Å; Y83-Y179 HydrophobicContact CD2-CD2 4.41Å; Y83-Y179 HydrophobicContact CD2-CE1 4.06Å; Y83-Y179 HydrophobicContact CD2-CG 4.01Å; Y83-Y179 HydrophobicContact CE1-CE1 4.26Å; Y83-Y179 HydrophobicContact CE2-CD1 4.21Å; Y83-Y179 HydrophobicContact CE2-CE1 4.17Å; Y83-Y179 HydrophobicContact CG-CD1 4.01Å; Y83-Y179 AromaticContact CG-CD2 3.84Å; Y83-Y179 HydrophobicContact CG-CD2 3.84Å; Y83-Y179 HydrophobicContact CG-CE1 4.08Å; Y83-Y179 AromaticContact CG-CE2 3.87Å; Y83-Y179 HydrophobicContact CG-CE2 3.87Å; Y83-Y179 AromaticContact CG-CG 3.91Å; Y83-Y179 HydrophobicContact CG-CG 3.91Å; Y176-Y179 AromaticContact CD1-CD2 3.95Å; Y176-Y179 HydrophobicContact CD1-CD2 3.95Å; Y176-Y179 AromaticContact CD1-CE2 3.55Å; Y176-Y179 HydrophobicContact CD1-CE2 3.55Å; Y176-Y179 HydrophobicContact CE1-CE2 4.02Å; Y176-Y179 PolarHBondContact O-N 2.73Å; M177-Y179 PolarHBondContact O-N 3.47Å; Y179-T181 PolarHBondContact O-N 2.91Å |
| 180 | I | 88.8 | Confident | 80.6 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 124 | 178 | -59.9 | 175 | 0 | 0 | 0 | 109.8 | I77 F87 I141 L145 M177 D178 | I77-I180 HydrophobicContact CG2-CB 4.18Å; I77-I180 HydrophobicContact CG2-CD1 4.25Å; I77-I180 HydrophobicContact CG2-CG1 3.96Å; I77-I180 HydrophobicContact CG2-CG2 3.36Å; F87-I180 HydrophobicContact CE2-CD1 3.91Å; F87-I180 HydrophobicContact CE2-CG1 3.7Å; F87-I180 HydrophobicContact CZ-CD1 3.68Å; F87-I180 HydrophobicContact CZ-CG1 3.7Å; I141-I180 HydrophobicContact CG1-CD1 4.26Å; I141-I180 HydrophobicContact CG2-CD1 4.44Å; I141-I180 HydrophobicContact CG2-CG2 4.18Å; L145-I180 HydrophobicContact CD1-CG2 4.39Å; L145-I180 HydrophobicContact CD2-CG2 4.1Å; L145-I180 HydrophobicContact CG-CG2 4.38Å; M177-I180 WeakPolarHBondContact O-CB 3.07Å; M177-I180 PolarHBondContact O-N 3.46Å; M177-I180 HydrophobicContact SD-CD1 3.65Å; D178-I180 VanDerWaalsContact C-N 3.3Å |
| 181 | T | 87.1 | Confident | 83.2 | Confident | 50 Ų | 50 | 51 Ų | 51 | 31% | 0.307 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -41.6 | -178.8 | 57.1 | 0 | 0 | 0 | 0 | 112.8 | A78 Q80 L145 Y179 | A78-T181 WeakPolarHBondContact CB-OG1 3.48Å; A78-T181 PolarHBondContact O-N 2.95Å; A78-T181 PolarHBondContact O-OG1 2.68Å; Q80-T181 HydrophobicContact CG-CG2 3.66Å; L145-T181 WeakPolarHBondContact CD2-O 3.3Å; Y179-T181 PolarHBondContact O-N 2.91Å |
| 182 | H | 87.4 | Confident | 85.5 | Confident | 77 Ų | 77 | 44.8 Ų | 44.8 | 36% | 0.356 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 154.8 | -176.8 | -56.4 | -43.2 | 0 | 0 | 0 | 111.7 | I77 A78 | I77-H182 CarbonylContact C-O 3.52Å; I77-H182 WeakPolarHBondContact CA-O 3.44Å; A78-H182 HydrophobicContact CB-CB 3.96Å; A78-H182 PolarHBondContact N-O 2.92Å; A78-H182 PolarHBondContact O-N 3.4Å |
| 183 | I | 93.6 | Very high | 87.3 | Confident | 7 Ų | 7 | 42.4 Ų | 42.4 | 4% | 0.036 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 139.3 | 168.4 | -170.1 | 178.9 | 0 | 0 | 0 | 108.5 | F75 Y76 R138 I141 I142 L145 Y186 N479 | F75-I183 HydrophobicContact CD2-CD1 3.82Å; F75-I183 HydrophobicContact CD2-CG1 3.75Å; F75-I183 HydrophobicContact CE2-CD1 3.62Å; F75-I183 HydrophobicContact CE2-CG1 3.94Å; F75-I183 HydrophobicContact CG-CD1 4.5Å; F75-I183 HydrophobicContact CZ-CD1 4.16Å; Y76-I183 CarbonylContact O-C 3.46Å; Y76-I183 WeakPolarHBondContact O-CA 3.46Å; R138-I183 HydrophobicContact CG-CD1 4.3Å; I141-I183 HydrophobicContact CB-CD1 4.34Å; I141-I183 HydrophobicContact CG2-CB 4.31Å; I141-I183 HydrophobicContact CG2-CD1 4.06Å; I142-I183 HydrophobicContact CG1-CG2 4.37Å; L145-I183 HydrophobicContact CD1-CB 4.04Å; L145-I183 HydrophobicContact CD1-CG2 3.67Å; I183-Y186 HydrophobicContact CB-CD1 4.27Å; I183-Y186 HydrophobicContact CD1-CD1 4.04Å; I183-Y186 HydrophobicContact CD1-CG 4.11Å; I183-Y186 HydrophobicContact CG1-CD1 3.79Å; I183-Y186 HydrophobicContact CG1-CG 4.31Å; I183-Y186 HydrophobicContact CG2-CD1 3.8Å; I183-Y186 HydrophobicContact CG2-CE1 3.73Å; I183-N479 PolarHBondContact O-ND2 3.01Å; I183-N479 PolarHBondContact O-OD1 3.42Å |
| 184 | R | 94.5 | Very high | 89 | Confident | 8 Ų | 8 | 37.5 Ų | 37.5 | 3% | 0.03 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 150.2 | -176.2 | -60.9 | -72.2 | -163.1 | 175.5 | 1.4 | 111.9 | F75 Y76 D109 E111 Y123 Y186 V476 | F75-R184 WeakPolarHBondContact CB-O 3.35Å; Y76-R184 PolarHBondContact N-O 3.02Å; Y76-R184 VanDerWaalsContact N-O 3.12Å; Y76-R184 PolarHBondContact O-N 3.49Å; D109-R184 IonicContact OD1-NH2 3.85Å; D109-R184 IonicContact OD2-NH2 3.55Å; D109-R184 PolarHBondContact OD2-NH2 3.5Å; E111-R184 IonicContact OE1-CZ 2.85Å; E111-R184 IonicContact OE1-NH1 3.46Å; E111-R184 PolarHBondContact OE1-NH1 3.26Å; E111-R184 IonicContact OE1-NH2 3.06Å; E111-R184 IonicContact OE2-CZ 2.73Å; E111-R184 IonicContact OE2-NH1 3.94Å; E111-R184 PolarHBondContact OE2-NH1 2.84Å; E111-R184 IonicContact OE2-NH2 3.08Å; E111-R184 PolarHBondContact OE2-NH2 3Å; Y123-R184 HydrophobicContact CE1-CG 3.69Å; Y123-R184 PolarHBondContact OH-NE 3.15Å; R184-Y186 PolarHBondContact O-N 3.13Å; R184-Y186 VanDerWaalsContact O-N 3.13Å; R184-V476 HydrophobicContact CB-CG2 3.74Å; R184-V476 HydrophobicContact CG-CG2 3.85Å |
| 185 | E | 94.8 | Very high | 90.4 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 1% | 0.014 | 16% | 0.161 | C | C | . | . | S | Bend | trans | 60.5 | 18.9 | 171.7 | -49.7 | -170.3 | -162.6 | 0 | 0 | 115.9 | Y76 D187 I188 R193 V476 F477 | Y76-E185 HydrophobicContact CD2-CB 4.32Å; Y76-E185 HydrophobicContact CD2-CG 4.09Å; Y76-E185 HydrophobicContact CE2-CG 4.38Å; E185-D187 VanDerWaalsContact C-N 3.33Å; E185-D187 PolarHBondContact O-N 2.84Å; E185-I188 HydrophobicContact CB-CD1 4.48Å; E185-R193 IonicContact OE2-CZ 3.69Å; E185-R193 IonicContact OE2-NH1 2.96Å; E185-R193 IonicContact OE2-NH2 3.75Å; E185-R193 PolarHBondContact OE2-NH2 3.17Å; E185-V476 HydrophobicContact CG-CG2 4.34Å; E185-V476 WeakPolarHBondContact OE1-CA 3.39Å; E185-V476 WeakPolarHBondContact OE1-CG2 3.22Å; E185-F477 HydrophobicContact CB-CD2 4.31Å; E185-F477 HydrophobicContact CG-CB 3.9Å; E185-F477 HydrophobicContact CG-CD2 3.6Å; E185-F477 HydrophobicContact CG-CE2 4.44Å; E185-F477 HydrophobicContact CG-CG 3.96Å; E185-F477 PolarHBondContact OE1-N 3.45Å; E185-F477 WeakPolarHBondContact OE2-CD2 3.12Å; E185-F477 WeakPolarHBondContact OE2-CE2 3.29Å |
| 186 | Y | 93.5 | Very high | 91.4 | Very high | 60 Ų | 60 | 26.7 Ų | 26.7 | 24% | 0.235 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -12.4 | -176.8 | 61.9 | -95.2 | 0 | 0 | 0 | 114.5 | R138 I142 I183 R184 | R138-Y186 HydrophobicContact CG-CD2 3.98Å; R138-Y186 HydrophobicContact CG-CG 4.24Å; I142-Y186 HydrophobicContact CD1-CD2 3.96Å; I142-Y186 HydrophobicContact CD1-CE2 3.62Å; I183-Y186 HydrophobicContact CB-CD1 4.27Å; I183-Y186 HydrophobicContact CD1-CD1 4.04Å; I183-Y186 HydrophobicContact CD1-CG 4.11Å; I183-Y186 HydrophobicContact CG1-CD1 3.79Å; I183-Y186 HydrophobicContact CG1-CG 4.31Å; I183-Y186 HydrophobicContact CG2-CD1 3.8Å; I183-Y186 HydrophobicContact CG2-CE1 3.73Å; R184-Y186 PolarHBondContact O-N 3.13Å; R184-Y186 VanDerWaalsContact O-N 3.13Å |
| 187 | D | 92 | Very high | 92.1 | Very high | 50 Ų | 50 | 25.9 Ų | 25.9 | 27% | 0.267 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 11.9 | -173.4 | 69.9 | -39.2 | 0 | 0 | 0 | 113.2 | E185 R785 | E185-D187 VanDerWaalsContact C-N 3.33Å; E185-D187 PolarHBondContact O-N 2.84Å; D187-R785 IonicContact OD1-CZ 2.76Å; D187-R785 VanDerWaalsContact OD1-CZ 3.25Å; D187-R785 IonicContact OD1-NH1 3.7Å; D187-R785 PolarHBondContact OD1-NH1 3.14Å; D187-R785 IonicContact OD1-NH2 2.74Å; D187-R785 PolarHBondContact OD1-NH2 3.22Å; D187-R785 IonicContact OD2-CZ 3.5Å; D187-R785 IonicContact OD2-NH1 2.59Å; D187-R785 PolarHBondContact OD2-NH1 2.9Å; D187-R785 IonicContact OD2-NH2 3.23Å; D187-R785 PolarHBondContact OD2-NH2 3.39Å |
| 188 | I | 94.2 | Very high | 92.6 | Very high | 20 Ų | 20 | 27 Ų | 27 | 10% | 0.103 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -83.5 | 125.7 | 179.5 | -63 | -165.5 | 0 | 0 | 0 | 110.2 | E185 Y190 V192 R193 M467 F477 | E185-I188 HydrophobicContact CB-CD1 4.48Å; I188-Y190 PolarHBondContact O-N 3.24Å; I188-V192 HydrophobicContact CG2-CB 4.45Å; I188-V192 HydrophobicContact CG2-CG1 4.39Å; I188-R193 HydrophobicContact CG2-CB 3.88Å; I188-M467 HydrophobicContact CD1-SD 3.51Å; I188-M467 VanDerWaalsContact CD1-SD 3.51Å; I188-M467 HydrophobicContact CG1-SD 4.19Å; I188-F477 HydrophobicContact CD1-CD2 3.27Å; I188-F477 HydrophobicContact CD1-CE2 3.29Å |
| 189 | P | 93.8 | Very high | 93 | Very high | 60 Ų | 60 | 29.4 Ų | 29.4 | 39% | 0.39 | 15% | 0.145 | S | C | . | . | trans | -55.5 | 137.5 | 174 | -24.2 | 33.8 | 0 | 0 | 0 | 111.3 | H191 V192 R193 | P189-H191 PolarHBondContact O-N 3.22Å; P189-V192 HydrophobicContact CB-CB 4.21Å; P189-V192 HydrophobicContact CB-CG2 3.93Å; P189-V192 HydrophobicContact CG-CG2 4.29Å; P189-V192 WeakPolarHBondContact O-CB 3.5Å; P189-V192 PolarHBondContact O-N 3.1Å; P189-V192 VanDerWaalsContact O-N 3.15Å; P189-R193 PolarHBondContact O-N 3.2Å | ||
| 190 | Y | 95.5 | Very high | 93.4 | Very high | 21 Ų | 21 | 27.2 Ų | 27.2 | 8% | 0.082 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.6 | -45.5 | -169.1 | 172.3 | -107.1 | 0 | 0 | 0 | 113.8 | A39 S51 A52 V53 F71 P73 V131 I188 V192 R193 V194 | A39-Y190 HydrophobicContact CB-CD1 3.87Å; S51-Y190 VanDerWaalsContact C-OH 3.24Å; S51-Y190 VanDerWaalsContact CB-CZ 3.45Å; S51-Y190 WeakPolarHBondContact CB-OH 3.44Å; S51-Y190 PolarHBondContact O-OH 3.08Å; A52-Y190 PolarHBondContact N-OH 3.38Å; A52-Y190 WeakPolarHBondContact O-CE1 3.36Å; V53-Y190 HydrophobicContact CG2-CD1 4.12Å; V53-Y190 HydrophobicContact CG2-CE1 3.59Å; F71-Y190 HydrophobicContact CD1-CE2 4.49Å; F71-Y190 PolarHBondContact N-OH 3.36Å; F71-Y190 VanDerWaalsContact O-CE2 3.31Å; F71-Y190 WeakPolarHBondContact O-CE2 3.44Å; F71-Y190 PolarHBondContact O-OH 2.99Å; P73-Y190 HydrophobicContact CB-CD2 4.07Å; P73-Y190 HydrophobicContact CB-CE2 4.18Å; P73-Y190 HydrophobicContact CG-CD2 3.8Å; P73-Y190 HydrophobicContact CG-CE2 3.59Å; V131-Y190 HydrophobicContact CG2-CD1 4.39Å; V131-Y190 HydrophobicContact CG2-CD2 3.87Å; V131-Y190 HydrophobicContact CG2-CG 3.72Å; I188-Y190 PolarHBondContact O-N 3.24Å; Y190-V192 VanDerWaalsContact C-N 3.32Å; Y190-V192 PolarHBondContact O-N 2.87Å; Y190-R193 WeakPolarHBondContact O-CB 3.23Å; Y190-R193 PolarHBondContact O-N 2.65Å; Y190-V194 HydrophobicContact CD2-CG2 4.32Å; Y190-V194 HydrophobicContact CE1-CG2 4.2Å; Y190-V194 HydrophobicContact CE2-CG2 3.86Å; Y190-V194 WeakPolarHBondContact O-CG2 3.38Å; Y190-V194 PolarHBondContact O-N 3.33Å |
| 191 | H | 94.6 | Very high | 93.7 | Very high | 20 Ų | 20 | 28 Ų | 28 | 9% | 0.093 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.2 | -35.9 | 178.8 | 65.7 | -64.5 | 0 | 0 | 0 | 112.2 | A39 V53 P189 V194 A195 E449 E452 | A39-H191 HydrophobicContact CB-CB 4.35Å; V53-H191 HydrophobicContact CG2-CB 4.38Å; P189-H191 PolarHBondContact O-N 3.22Å; H191-V194 PolarHBondContact O-N 3.38Å; H191-A195 WeakPolarHBondContact O-CB 3.35Å; H191-A195 PolarHBondContact O-N 3.38Å; H191-E449 IonicContact CD2-OE2 3.33Å; H191-E449 PolarHBondContact CD2-OE2 2.9Å; H191-E449 IonicContact CE1-OE2 3.86Å; H191-E449 IonicContact NE2-OE1 3.56Å; H191-E449 IonicContact NE2-OE2 2.62Å; H191-E449 PolarHBondContact NE2-OE2 3.15Å; H191-E452 IonicContact CE1-OE1 3.79Å; H191-E452 IonicContact NE2-OE1 3.37Å; H191-E452 IonicContact NE2-OE2 3.23Å; H191-E452 PolarHBondContact NE2-OE2 2.95Å |
| 192 | V | 95.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.7 | -42.6 | 173.3 | 179.8 | 0 | 0 | 0 | 0 | 110.7 | I188 P189 Y190 A195 I196 P447 M448 | I188-V192 HydrophobicContact CG2-CB 4.45Å; I188-V192 HydrophobicContact CG2-CG1 4.39Å; P189-V192 HydrophobicContact CB-CB 4.21Å; P189-V192 HydrophobicContact CB-CG2 3.93Å; P189-V192 HydrophobicContact CG-CG2 4.29Å; P189-V192 WeakPolarHBondContact O-CB 3.5Å; P189-V192 PolarHBondContact O-N 3.1Å; P189-V192 VanDerWaalsContact O-N 3.15Å; Y190-V192 VanDerWaalsContact C-N 3.32Å; Y190-V192 PolarHBondContact O-N 2.87Å; V192-A195 PolarHBondContact O-N 3.26Å; V192-I196 HydrophobicContact CG1-CD1 3.82Å; V192-I196 HydrophobicContact CG1-CG1 4.42Å; V192-I196 WeakPolarHBondContact O-CB 3.32Å; V192-I196 WeakPolarHBondContact O-CD1 3.17Å; V192-I196 VanDerWaalsContact O-CG1 3.24Å; V192-I196 WeakPolarHBondContact O-CG1 3.31Å; V192-I196 PolarHBondContact O-N 3.48Å; V192-P447 HydrophobicContact CG1-CB 4.38Å; V192-P447 HydrophobicContact CG1-CG 4Å; V192-M448 HydrophobicContact CG2-CE 4.27Å; V192-M448 HydrophobicContact CG2-CG 4.03Å |
| 193 | R | 95.4 | Very high | 94.4 | Very high | 7 Ų | 7 | 22.5 Ų | 22.5 | 3% | 0.026 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -56.6 | -51.6 | 172.6 | 164 | 58 | 66.3 | -162.5 | 4.2 | 110.9 | F71 Y74 E185 I188 P189 Y190 A195 I196 D197 | F71-R193 HydrophobicContact CE1-CG 4.4Å; Y74-R193 HydrophobicContact CE1-CG 4.43Å; Y74-R193 PolarHBondContact OH-NH1 2.85Å; E185-R193 IonicContact OE2-CZ 3.69Å; E185-R193 IonicContact OE2-NH1 2.96Å; E185-R193 IonicContact OE2-NH2 3.75Å; E185-R193 PolarHBondContact OE2-NH2 3.17Å; I188-R193 HydrophobicContact CG2-CB 3.88Å; P189-R193 PolarHBondContact O-N 3.2Å; Y190-R193 WeakPolarHBondContact O-CB 3.23Å; Y190-R193 PolarHBondContact O-N 2.65Å; R193-A195 VanDerWaalsContact C-N 3.31Å; R193-A195 PolarHBondContact O-N 3.14Å; R193-I196 PolarHBondContact O-N 2.96Å; R193-D197 VanDerWaalsContact CD-CG 3.46Å; R193-D197 WeakPolarHBondContact CD-OD1 3.32Å; R193-D197 WeakPolarHBondContact CD-OD2 3.46Å; R193-D197 IonicContact CZ-OD1 2.76Å; R193-D197 IonicContact NE-OD1 2.59Å; R193-D197 IonicContact NH1-OD1 2.89Å; R193-D197 PolarHBondContact NH1-OD1 3.41Å; R193-D197 WeakPolarHBondContact O-CB 3.49Å; R193-D197 PolarHBondContact O-N 3.23Å |
| 194 | V | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.6 | -43.3 | 179.9 | 180 | 0 | 0 | 0 | 0 | 110.8 | V53 Y55 F71 Y190 H191 D197 T198 | V53-V194 HydrophobicContact CG2-CB 3.92Å; V53-V194 HydrophobicContact CG2-CG1 4.08Å; V53-V194 HydrophobicContact CG2-CG2 3.73Å; Y55-V194 WeakPolarHBondContact OH-CG1 3.24Å; F71-V194 HydrophobicContact CB-CG1 4.29Å; F71-V194 HydrophobicContact CB-CG2 3.72Å; F71-V194 HydrophobicContact CD1-CG2 3.65Å; F71-V194 HydrophobicContact CD2-CG1 4.44Å; F71-V194 HydrophobicContact CE1-CG2 4.41Å; F71-V194 HydrophobicContact CG-CG1 4.28Å; F71-V194 HydrophobicContact CG-CG2 3.75Å; Y190-V194 HydrophobicContact CD2-CG2 4.32Å; Y190-V194 HydrophobicContact CE1-CG2 4.2Å; Y190-V194 HydrophobicContact CE2-CG2 3.86Å; Y190-V194 WeakPolarHBondContact O-CG2 3.38Å; Y190-V194 PolarHBondContact O-N 3.33Å; H191-V194 PolarHBondContact O-N 3.38Å; V194-D197 PolarHBondContact O-N 3.43Å; V194-T198 HydrophobicContact CG1-CG2 4.12Å; V194-T198 VanDerWaalsContact O-CB 3.31Å; V194-T198 WeakPolarHBondContact O-CB 3.49Å; V194-T198 VanDerWaalsContact O-CG2 3.27Å; V194-T198 WeakPolarHBondContact O-CG2 3.33Å; V194-T198 PolarHBondContact O-N 3.42Å; V194-T198 PolarHBondContact O-OG1 3.44Å |
| 195 | A | 95.9 | Very high | 94.4 | Very high | 4 Ų | 4 | 24.9 Ų | 24.9 | 3% | 0.033 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.7 | -44.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | H191 V192 R193 K199 V200 F201 P447 | H191-A195 WeakPolarHBondContact O-CB 3.35Å; H191-A195 PolarHBondContact O-N 3.38Å; V192-A195 PolarHBondContact O-N 3.26Å; R193-A195 VanDerWaalsContact C-N 3.31Å; R193-A195 PolarHBondContact O-N 3.14Å; A195-K199 VanDerWaalsContact O-CA 3.23Å; A195-K199 WeakPolarHBondContact O-CA 3.38Å; A195-K199 PolarHBondContact O-N 2.8Å; A195-V200 PolarHBondContact O-N 2.86Å; A195-F201 HydrophobicContact CB-CD1 4.17Å; A195-F201 HydrophobicContact CB-CE1 4.23Å; A195-F201 WeakPolarHBondContact O-CE1 3.12Å; A195-P447 HydrophobicContact CB-CB 3.72Å |
| 196 | I | 95.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.1 | -52.8 | 175.7 | -71.9 | 162.9 | 0 | 0 | 0 | 110.8 | V192 R193 T198 K199 P447 M467 V468 F471 | V192-I196 HydrophobicContact CG1-CD1 3.82Å; V192-I196 HydrophobicContact CG1-CG1 4.42Å; V192-I196 WeakPolarHBondContact O-CB 3.32Å; V192-I196 WeakPolarHBondContact O-CD1 3.17Å; V192-I196 VanDerWaalsContact O-CG1 3.24Å; V192-I196 WeakPolarHBondContact O-CG1 3.31Å; V192-I196 PolarHBondContact O-N 3.48Å; R193-I196 PolarHBondContact O-N 2.96Å; I196-T198 VanDerWaalsContact C-N 3.34Å; I196-T198 PolarHBondContact O-N 2.67Å; I196-K199 PolarHBondContact O-N 3.06Å; I196-P447 HydrophobicContact CG1-CB 4.08Å; I196-P447 HydrophobicContact CG1-CG 3.99Å; I196-M467 HydrophobicContact CD1-CB 3.85Å; I196-M467 HydrophobicContact CD1-CE 4.38Å; I196-V468 HydrophobicContact CG1-CG2 3.8Å; I196-F471 HydrophobicContact CG2-CB 3.56Å; I196-F471 HydrophobicContact CG2-CD1 3.99Å; I196-F471 HydrophobicContact CG2-CD2 4.23Å; I196-F471 HydrophobicContact CG2-CG 3.67Å |
| 197 | D | 94.5 | Very high | 94.6 | Very high | 32 Ų | 32 | 24.4 Ų | 24.4 | 17% | 0.171 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -69.2 | -34.4 | -171.6 | -72.8 | 26.8 | 0 | 0 | 0 | 112.3 | F71 Y74 R193 V194 F471 | F71-D197 HydrophobicContact CE2-CB 4.35Å; F71-D197 HydrophobicContact CZ-CB 3.77Å; F71-D197 WeakPolarHBondContact CZ-OD2 3.48Å; Y74-D197 WeakPolarHBondContact CE1-OD2 3.35Å; Y74-D197 VanDerWaalsContact CZ-OD2 3.27Å; Y74-D197 PolarHBondContact OH-OD1 3.4Å; Y74-D197 PolarHBondContact OH-OD2 3.31Å; R193-D197 VanDerWaalsContact CD-CG 3.46Å; R193-D197 WeakPolarHBondContact CD-OD1 3.32Å; R193-D197 WeakPolarHBondContact CD-OD2 3.46Å; R193-D197 IonicContact CZ-OD1 2.76Å; R193-D197 IonicContact NE-OD1 2.59Å; R193-D197 IonicContact NH1-OD1 2.89Å; R193-D197 PolarHBondContact NH1-OD1 3.41Å; R193-D197 WeakPolarHBondContact O-CB 3.49Å; R193-D197 PolarHBondContact O-N 3.23Å; V194-D197 PolarHBondContact O-N 3.43Å; D197-F471 HydrophobicContact CB-CE1 4.27Å; D197-F471 HydrophobicContact CB-CZ 3.96Å; D197-F471 WeakPolarHBondContact OD1-CE2 3.29Å |
| 198 | T | 92.6 | Very high | 94.7 | Very high | 29 Ų | 29 | 22.1 Ų | 22.1 | 18% | 0.178 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -96.2 | -11.8 | -177.2 | 65.8 | 0 | 0 | 0 | 0 | 113.7 | F71 V194 I196 V200 | F71-T198 HydrophobicContact CD2-CG2 4.37Å; F71-T198 HydrophobicContact CE2-CG2 4.14Å; V194-T198 HydrophobicContact CG1-CG2 4.12Å; V194-T198 VanDerWaalsContact O-CB 3.31Å; V194-T198 WeakPolarHBondContact O-CB 3.49Å; V194-T198 VanDerWaalsContact O-CG2 3.27Å; V194-T198 WeakPolarHBondContact O-CG2 3.33Å; V194-T198 PolarHBondContact O-N 3.42Å; V194-T198 PolarHBondContact O-OG1 3.44Å; I196-T198 VanDerWaalsContact C-N 3.34Å; I196-T198 PolarHBondContact O-N 2.67Å; T198-V200 PolarHBondContact O-N 3.26Å |
| 199 | K | 92.5 | Very high | 94.7 | Very high | 115 Ų | 115 | 22.6 Ų | 22.6 | 50% | 0.5 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 38.3 | -171.9 | -60.2 | -172.6 | 176.6 | -174.3 | 0 | 113.5 | A195 I196 | A195-K199 VanDerWaalsContact O-CA 3.23Å; A195-K199 WeakPolarHBondContact O-CA 3.38Å; A195-K199 PolarHBondContact O-N 2.8Å; I196-K199 PolarHBondContact O-N 3.06Å |
| 200 | V | 94.5 | Very high | 94.7 | Very high | 4 Ų | 4 | 19.9 Ų | 19.9 | 2% | 0.024 | 10% | 0.101 | C | C | . | . | trans | -105.2 | 111.7 | 175.6 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | L34 Y55 A195 T198 Y206 I218 | L34-V200 HydrophobicContact CD2-CG1 3.71Å; Y55-V200 HydrophobicContact CD1-CG1 4.22Å; Y55-V200 HydrophobicContact CE1-CB 4.36Å; Y55-V200 HydrophobicContact CE1-CG1 3.62Å; A195-V200 PolarHBondContact O-N 2.86Å; T198-V200 PolarHBondContact O-N 3.26Å; V200-Y206 WeakPolarHBondContact CA-OH 3.26Å; V200-Y206 HydrophobicContact CG1-CE1 4.18Å; V200-Y206 HydrophobicContact CG1-CE2 4.08Å; V200-Y206 HydrophobicContact CG2-CE1 4.32Å; V200-I218 HydrophobicContact CG1-CD1 3.73Å; V200-I218 HydrophobicContact CG2-CD1 4.13Å; V200-I218 HydrophobicContact CG2-CG1 4.26Å; V200-I218 HydrophobicContact CG2-CG2 3.73Å | ||
| 201 | F | 95.5 | Very high | 94.6 | Very high | 20 Ų | 20 | 22.7 Ų | 22.7 | 9% | 0.088 | 12% | 0.117 | C | C | . | . | trans | -120.8 | 147.5 | -174.6 | -59.2 | -20.4 | 0 | 0 | 0 | 111.7 | A195 M204 Y206 P447 V468 | A195-F201 HydrophobicContact CB-CD1 4.17Å; A195-F201 HydrophobicContact CB-CE1 4.23Å; A195-F201 WeakPolarHBondContact O-CE1 3.12Å; F201-M204 HydrophobicContact CB-SD 4.38Å; F201-Y206 PolarHBondContact N-OH 2.98Å; F201-Y206 WeakPolarHBondContact O-CE2 3.26Å; F201-Y206 PolarHBondContact O-OH 3.47Å; F201-P447 HydrophobicContact CD1-CB 4.04Å; F201-P447 HydrophobicContact CE1-CB 3.61Å; F201-P447 HydrophobicContact CZ-CB 4.25Å; F201-V468 HydrophobicContact CE1-CG2 4.39Å; F201-V468 HydrophobicContact CZ-CG1 3.92Å; F201-V468 HydrophobicContact CZ-CG2 3.76Å | ||
| 202 | V | 95.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 146.8 | 172.8 | 169.9 | 0 | 0 | 0 | 0 | 109.7 | L34 I35 F440 C443 T444 | L34-V202 HydrophobicContact CD2-CG2 4.3Å; L34-V202 HydrophobicContact CG-CG2 4.13Å; I35-V202 WeakPolarHBondContact O-CG1 3.31Å; V202-F440 HydrophobicContact CG1-CD1 4.04Å; V202-F440 HydrophobicContact CG1-CE1 3.83Å; V202-C443 HydrophobicContact CB-CB 3.99Å; V202-C443 HydrophobicContact CG1-CB 3.95Å; V202-C443 CarbonylContact O-C 3.54Å; V202-C443 VanDerWaalsContact O-CB 3.23Å; V202-C443 WeakPolarHBondContact O-CB 3.48Å; V202-C443 VanDerWaalsContact O-O 3.08Å; V202-T444 PolarHBondContact O-N 3.27Å |
| 203 | G | 92.4 | Very high | 94 | Very high | 11 Ų | 11 | 26.6 Ų | 26.6 | 11% | 0.113 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | 3.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | W33 L34 T444 | W33-G203 VanDerWaalsContact CZ2-CA 3.44Å; W33-G203 PolarHBondContact NE1-O 3.44Å; L34-G203 PolarHBondContact O-N 2.98Å; G203-T444 WeakPolarHBondContact O-CG2 3.41Å |
| 204 | M | 93.8 | Very high | 93.9 | Very high | 49 Ų | 49 | 31.4 Ų | 31.4 | 24% | 0.241 | 16% | 0.16 | C | C | . | . | trans | -120.7 | 154.8 | -177.4 | -67.4 | -176 | 145 | 0 | 0 | 112.5 | L34 F201 Y206 L220 T444 | L34-M204 PolarHBondContact N-O 2.96Å; F201-M204 HydrophobicContact CB-SD 4.38Å; M204-Y206 HydrophobicContact CB-CD2 4.48Å; M204-Y206 HydrophobicContact CB-CE2 3.64Å; M204-Y206 WeakPolarHBondContact O-CD2 3.47Å; M204-L220 HydrophobicContact CB-CD1 3.68Å; M204-L220 HydrophobicContact CE-CD1 4.39Å; M204-L220 HydrophobicContact CE-CD2 4.41Å; M204-L220 HydrophobicContact CG-CD1 4.07Å; M204-L220 HydrophobicContact SD-CD1 3.55Å; M204-L220 VanDerWaalsContact SD-CD1 3.55Å; M204-L220 HydrophobicContact SD-CD2 4.24Å; M204-T444 HydrophobicContact CG-CG2 3.95Å | ||
| 205 | W | 95.6 | Very high | 93.8 | Very high | 15 Ų | 15 | 32.3 Ų | 32.3 | 6% | 0.057 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 138 | 174.2 | -73.2 | 93.8 | 0 | 0 | 0 | 111.7 | T31 W33 M221 M224 S226 P228 | T31-W205 HydrophobicContact CG2-CE3 4.28Å; W33-W205 HydrophobicContact CB-CD2 3.77Å; W33-W205 HydrophobicContact CB-CE3 3.88Å; W33-W205 HydrophobicContact CB-CG 4.4Å; W33-W205 HydrophobicContact CB-CH2 3.99Å; W33-W205 HydrophobicContact CB-CZ2 3.92Å; W33-W205 HydrophobicContact CB-CZ3 3.98Å; W33-W205 AromaticContact CD1-CD1 3.57Å; W33-W205 AromaticContact CD1-CD2 4Å; W33-W205 AromaticContact CD1-CE2 3.78Å; W33-W205 AromaticContact CD1-CG 3.87Å; W33-W205 AromaticContact CD1-NE1 3.49Å; W33-W205 HydrophobicContact CG-CD2 4.3Å; W33-W205 HydrophobicContact CG-CZ2 4.44Å; W205-M221 HydrophobicContact CB-CB 3.86Å; W205-M221 HydrophobicContact CB-CG 4.43Å; W205-M221 PolarHBondContact O-N 3.39Å; W205-M224 HydrophobicContact CB-CB 4.28Å; W205-M224 HydrophobicContact CB-CE 4.34Å; W205-M224 HydrophobicContact CB-SD 4.42Å; W205-M224 VanDerWaalsContact CD1-O 3.25Å; W205-M224 HydrophobicContact CD2-CE 3.92Å; W205-M224 HydrophobicContact CD2-SD 3.39Å; W205-M224 HydrophobicContact CE3-CE 3.96Å; W205-M224 HydrophobicContact CE3-SD 3.88Å; W205-M224 HydrophobicContact CG-CB 4.1Å; W205-M224 HydrophobicContact CG-CE 4.1Å; W205-M224 HydrophobicContact CG-CG 4.36Å; W205-M224 HydrophobicContact CG-SD 3.64Å; W205-M224 HydrophobicContact CH2-SD 4.41Å; W205-M224 HydrophobicContact CZ2-SD 3.96Å; W205-M224 HydrophobicContact CZ3-SD 4.37Å; W205-S226 PolarHBondContact NE1-O 2.73Å; W205-P228 HydrophobicContact CH2-CB 4.23Å; W205-P228 HydrophobicContact CH2-CG 4.48Å; W205-P228 HydrophobicContact CZ2-CB 4.03Å; W205-P228 HydrophobicContact CZ2-CG 4.1Å |
| 206 | Y | 95.7 | Very high | 93.5 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 142.1 | 179.6 | -65.7 | -84.5 | 0 | 0 | 0 | 111.9 | T31 A32 L34 F57 V200 F201 M204 I218 C219 L220 | T31-Y206 WeakPolarHBondContact CA-O 3.32Å; A32-Y206 PolarHBondContact N-O 2.83Å; A32-Y206 PolarHBondContact O-N 3.34Å; L34-Y206 HydrophobicContact CB-CD2 4.06Å; L34-Y206 HydrophobicContact CB-CE2 4.06Å; L34-Y206 HydrophobicContact CD2-CE2 4.25Å; F57-Y206 HydrophobicContact CE1-CD2 4.36Å; V200-Y206 WeakPolarHBondContact CA-OH 3.26Å; V200-Y206 HydrophobicContact CG1-CE1 4.18Å; V200-Y206 HydrophobicContact CG1-CE2 4.08Å; V200-Y206 HydrophobicContact CG2-CE1 4.32Å; F201-Y206 PolarHBondContact N-OH 2.98Å; F201-Y206 WeakPolarHBondContact O-CE2 3.26Å; F201-Y206 PolarHBondContact O-OH 3.47Å; M204-Y206 HydrophobicContact CB-CD2 4.48Å; M204-Y206 HydrophobicContact CB-CE2 3.64Å; M204-Y206 WeakPolarHBondContact O-CD2 3.47Å; Y206-I218 HydrophobicContact CD1-CD1 4.07Å; Y206-I218 HydrophobicContact CD1-CG1 3.57Å; Y206-I218 HydrophobicContact CD2-CD1 4.46Å; Y206-I218 HydrophobicContact CE1-CG1 4.39Å; Y206-I218 HydrophobicContact CG-CD1 3.95Å; Y206-I218 HydrophobicContact CG-CG1 3.79Å; Y206-C219 CarbonylContact C-O 3.49Å; Y206-C219 VanDerWaalsContact CA-O 3.26Å; Y206-C219 WeakPolarHBondContact CA-O 3.44Å; Y206-L220 HydrophobicContact CD1-CB 4.23Å; Y206-L220 HydrophobicContact CD1-CD1 4.49Å; Y206-L220 HydrophobicContact CE1-CB 3.87Å; Y206-L220 HydrophobicContact CE1-CD1 3.89Å; Y206-L220 HydrophobicContact CE1-CG 4.49Å |
| 207 | N | 95.6 | Very high | 93.4 | Very high | 52 Ų | 52 | 42.9 Ų | 42.9 | 28% | 0.278 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 120 | 157.6 | -73.7 | -11.9 | 0 | 0 | 0 | 107.9 | T31 I218 C219 M221 | T31-N207 WeakPolarHBondContact CB-OD1 3.42Å; T31-N207 WeakPolarHBondContact CG2-OD1 3.35Å; T31-N207 PolarHBondContact OG1-OD1 3.24Å; N207-I218 WeakPolarHBondContact O-CA 3.49Å; N207-C219 PolarHBondContact N-O 3.21Å; N207-C219 PolarHBondContact O-N 3.02Å; N207-M221 PolarHBondContact ND2-SD 3.32Å |
| 208 | V | 94.6 | Very high | 93.3 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 127.1 | -175.3 | -163.1 | 0 | 0 | 0 | 0 | 109.3 | Q29 K30 F57 L67 I215 E217 I218 | Q29-V208 WeakPolarHBondContact CA-O 3.4Å; K30-V208 PolarHBondContact N-O 3.01Å; K30-V208 PolarHBondContact O-N 3.47Å; F57-V208 HydrophobicContact CE1-CG2 3.92Å; F57-V208 HydrophobicContact CE2-CG2 4.28Å; F57-V208 HydrophobicContact CZ-CG2 3.74Å; L67-V208 HydrophobicContact CD1-CB 4.27Å; L67-V208 HydrophobicContact CD1-CG1 3.51Å; V208-I215 HydrophobicContact CG1-CD1 4.24Å; V208-I215 HydrophobicContact CG1-CG1 4.06Å; V208-I215 HydrophobicContact CG1-CG2 4Å; V208-E217 WeakPolarHBondContact CA-O 3.43Å; V208-I218 HydrophobicContact CG1-CB 4.48Å; V208-I218 HydrophobicContact CG2-CD1 4.09Å; V208-I218 HydrophobicContact CG2-CG1 4.12Å |
| 209 | T | 94.4 | Very high | 93.3 | Very high | 30 Ų | 30 | 43.8 Ų | 43.8 | 18% | 0.184 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 126.2 | 170.8 | -51.2 | 0 | 0 | 0 | 0 | 108 | V28 L216 E217 | V28-T209 CarbonylContact O-C 3.55Å; V28-T209 WeakPolarHBondContact O-CA 3.18Å; T209-L216 PolarHBondContact O-N 3.3Å; T209-E217 PolarHBondContact N-O 2.65Å; T209-E217 PolarHBondContact O-N 2.95Å |
| 210 | A | 93.7 | Very high | 93.4 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 2% | 0.017 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 151.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S27 V28 L67 K214 | S27-A210 CarbonylContact C-O 3.53Å; S27-A210 WeakPolarHBondContact CA-O 3.46Å; V28-A210 PolarHBondContact N-O 3.45Å; V28-A210 PolarHBondContact O-N 3.07Å; L67-A210 HydrophobicContact CD1-CB 3.86Å; L67-A210 HydrophobicContact CD2-CB 3.66Å; L67-A210 HydrophobicContact CG-CB 4.38Å; A210-K214 CarbonylContact C-O 3.56Å; A210-K214 WeakPolarHBondContact CA-O 3.46Å; A210-K214 VanDerWaalsContact CB-O 3.31Å; A210-K214 WeakPolarHBondContact CB-O 3.36Å |
| 211 | L | 92.2 | Very high | 93.2 | Very high | 81 Ų | 81 | 44.3 Ų | 44.3 | 42% | 0.424 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 123.6 | 172.2 | 179.2 | 67.7 | 0 | 0 | 0 | 108.9 | G26 G213 K214 L216 | G26-L211 WeakPolarHBondContact O-CA 3.15Å; L211-G213 PolarHBondContact O-N 3.13Å; L211-K214 PolarHBondContact N-O 2.99Å; L211-K214 PolarHBondContact O-N 3.23Å; L211-L216 HydrophobicContact CB-CD1 3.78Å; L211-L216 HydrophobicContact CB-CD2 4.43Å; L211-L216 HydrophobicContact CB-CG 4.16Å |
| 212 | D | 90.2 | Very high | 92.5 | Very high | 101 Ų | 101 | 51.1 Ų | 51.1 | 54% | 0.54 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 46.6 | 179.5 | -64.9 | -37.4 | 0 | 0 | 0 | 112.8 | L24 G26 K214 | L24-D212 CarbonylContact O-C 3.52Å; G26-D212 WeakPolarHBondContact CA-OD1 3.37Å; G26-D212 PolarHBondContact N-OD1 2.97Å; G26-D212 PolarHBondContact O-N 3.42Å; D212-K214 PolarHBondContact O-N 2.99Å |
| 213 | G | 89.6 | Confident | 91.7 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | -4.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L24 L68 L211 | L24-G213 WeakPolarHBondContact O-CA 3.4Å; L24-G213 PolarHBondContact O-N 3.25Å; L68-G213 PolarHBondContact N-O 2.94Å; L211-G213 PolarHBondContact O-N 3.13Å |
| 214 | K | 92 | Very high | 91.2 | Very high | 108 Ų | 108 | 61.2 Ų | 61.2 | 47% | 0.47 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 125.4 | 180 | -62.5 | 173.4 | -173.4 | 169 | 0 | 110.2 | L68 I70 A210 L211 D212 L216 | L68-K214 CarbonylContact O-C 3.56Å; L68-K214 VanDerWaalsContact O-CA 3.28Å; L68-K214 WeakPolarHBondContact O-CA 3.3Å; I70-K214 HydrophobicContact CD1-CD 4.4Å; A210-K214 CarbonylContact C-O 3.56Å; A210-K214 WeakPolarHBondContact CA-O 3.46Å; A210-K214 VanDerWaalsContact CB-O 3.31Å; A210-K214 WeakPolarHBondContact CB-O 3.36Å; L211-K214 PolarHBondContact N-O 2.99Å; L211-K214 PolarHBondContact O-N 3.23Å; D212-K214 PolarHBondContact O-N 2.99Å; K214-L216 PolarHBondContact O-N 3.06Å |
| 215 | I | 92.8 | Very high | 90.4 | Very high | 19 Ų | 19 | 63.3 Ų | 63.3 | 10% | 0.097 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 121 | 176.7 | -59.4 | -179.2 | 0 | 0 | 0 | 109 | Y55 F57 L67 L68 R69 V208 I218 | Y55-I215 HydrophobicContact CD2-CD1 3.7Å; Y55-I215 HydrophobicContact CE2-CD1 4.26Å; Y55-I215 HydrophobicContact CG-CD1 4.18Å; F57-I215 HydrophobicContact CE2-CD1 4.48Å; L67-I215 HydrophobicContact CB-CD1 3.91Å; L67-I215 HydrophobicContact CB-CG1 3.57Å; L67-I215 HydrophobicContact CD1-CD1 4.5Å; L67-I215 HydrophobicContact CD1-CG1 4Å; L67-I215 HydrophobicContact CG-CG1 4.39Å; L68-I215 PolarHBondContact O-N 3.42Å; R69-I215 HydrophobicContact CB-CD1 4.43Å; V208-I215 HydrophobicContact CG1-CD1 4.24Å; V208-I215 HydrophobicContact CG1-CG1 4.06Å; V208-I215 HydrophobicContact CG1-CG2 4Å; I215-I218 HydrophobicContact CD1-CD1 4.48Å; I215-I218 HydrophobicContact CG2-CB 4.02Å; I215-I218 HydrophobicContact CG2-CG2 4.22Å |
| 216 | L | 90.9 | Very high | 89.4 | Confident | 116 Ų | 116 | 66.1 Ų | 66.1 | 61% | 0.607 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -45.9 | 169.5 | -61.9 | 179.2 | 0 | 0 | 0 | 110.3 | T209 L211 K214 | T209-L216 PolarHBondContact O-N 3.3Å; L211-L216 HydrophobicContact CB-CD1 3.78Å; L211-L216 HydrophobicContact CB-CD2 4.43Å; L211-L216 HydrophobicContact CB-CG 4.16Å; K214-L216 PolarHBondContact O-N 3.06Å |
| 217 | E | 91.9 | Very high | 88.7 | Confident | 111 Ų | 111 | 68.8 Ų | 68.8 | 52% | 0.519 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 144.5 | -177.9 | -168.5 | 178.8 | -171.9 | 0 | 0 | 110.8 | V208 T209 C219 | V208-E217 WeakPolarHBondContact CA-O 3.43Å; T209-E217 PolarHBondContact N-O 2.65Å; T209-E217 PolarHBondContact O-N 2.95Å; E217-C219 PolarHBondContact OE1-SG 2.79Å; E217-C219 VanDerWaalsContact OE1-SG 3.39Å |
| 218 | I | 93.4 | Very high | 88 | Confident | 24 Ų | 24 | 67.2 Ų | 67.2 | 12% | 0.123 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 118.1 | 176.7 | -176.7 | 160.9 | 0 | 0 | 0 | 110 | F57 V200 Y206 N207 V208 I215 | F57-I218 HydrophobicContact CZ-CD1 3.87Å; V200-I218 HydrophobicContact CG1-CD1 3.73Å; V200-I218 HydrophobicContact CG2-CD1 4.13Å; V200-I218 HydrophobicContact CG2-CG1 4.26Å; V200-I218 HydrophobicContact CG2-CG2 3.73Å; Y206-I218 HydrophobicContact CD1-CD1 4.07Å; Y206-I218 HydrophobicContact CD1-CG1 3.57Å; Y206-I218 HydrophobicContact CD2-CD1 4.46Å; Y206-I218 HydrophobicContact CE1-CG1 4.39Å; Y206-I218 HydrophobicContact CG-CD1 3.95Å; Y206-I218 HydrophobicContact CG-CG1 3.79Å; N207-I218 WeakPolarHBondContact O-CA 3.49Å; V208-I218 HydrophobicContact CG1-CB 4.48Å; V208-I218 HydrophobicContact CG2-CD1 4.09Å; V208-I218 HydrophobicContact CG2-CG1 4.12Å; I215-I218 HydrophobicContact CD1-CD1 4.48Å; I215-I218 HydrophobicContact CG2-CB 4.02Å; I215-I218 HydrophobicContact CG2-CG2 4.22Å |
| 219 | C | 93.3 | Very high | 87.4 | Confident | 55 Ų | 55 | 75.6 Ų | 75.6 | 37% | 0.372 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 126.8 | -171 | -72.8 | 0 | 0 | 0 | 0 | 111.1 | Y206 N207 E217 | Y206-C219 CarbonylContact C-O 3.49Å; Y206-C219 VanDerWaalsContact CA-O 3.26Å; Y206-C219 WeakPolarHBondContact CA-O 3.44Å; N207-C219 PolarHBondContact N-O 3.21Å; N207-C219 PolarHBondContact O-N 3.02Å; E217-C219 PolarHBondContact OE1-SG 2.79Å; E217-C219 VanDerWaalsContact OE1-SG 3.39Å |
| 220 | L | 93.5 | Very high | 87.2 | Confident | 66 Ų | 66 | 74.5 Ų | 74.5 | 35% | 0.346 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 132.8 | -177.4 | 175.8 | 66.8 | 0 | 0 | 0 | 112.1 | M204 Y206 K222 | M204-L220 HydrophobicContact CB-CD1 3.68Å; M204-L220 HydrophobicContact CE-CD1 4.39Å; M204-L220 HydrophobicContact CE-CD2 4.41Å; M204-L220 HydrophobicContact CG-CD1 4.07Å; M204-L220 HydrophobicContact SD-CD1 3.55Å; M204-L220 VanDerWaalsContact SD-CD1 3.55Å; M204-L220 HydrophobicContact SD-CD2 4.24Å; Y206-L220 HydrophobicContact CD1-CB 4.23Å; Y206-L220 HydrophobicContact CD1-CD1 4.49Å; Y206-L220 HydrophobicContact CE1-CB 3.87Å; Y206-L220 HydrophobicContact CE1-CD1 3.89Å; Y206-L220 HydrophobicContact CE1-CG 4.49Å; L220-K222 HydrophobicContact CD2-CG 3.97Å; L220-K222 HydrophobicContact CG-CG 4.16Å |
| 221 | M | 91.5 | Very high | 87.1 | Confident | 65 Ų | 65 | 75.1 Ų | 75.1 | 32% | 0.32 | 38% | 0.382 | S | S | . | . | trans | -93.7 | 93.4 | 172.4 | -65.4 | -64.6 | -70.5 | 0 | 0 | 110.5 | W205 N207 D223 M224 | W205-M221 HydrophobicContact CB-CB 3.86Å; W205-M221 HydrophobicContact CB-CG 4.43Å; W205-M221 PolarHBondContact O-N 3.39Å; N207-M221 PolarHBondContact ND2-SD 3.32Å; M221-D223 VanDerWaalsContact C-N 3.34Å; M221-D223 PolarHBondContact O-N 3.41Å; M221-M224 HydrophobicContact CB-CB 4.44Å | ||
| 222 | K | 79.2 | Confident | 87.3 | Confident | 163 Ų | 163 | 71.4 Ų | 71.4 | 71% | 0.709 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -28.1 | -173.2 | -66.6 | -179.2 | -178.3 | 175.8 | 0 | 114.5 | L220 | L220-K222 HydrophobicContact CD2-CG 3.97Å; L220-K222 HydrophobicContact CG-CG 4.16Å |
| 223 | D | 79.2 | Confident | 87.6 | Confident | 161 Ų | 161 | 66.6 Ų | 66.6 | 86% | 0.861 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -12.4 | -173.7 | -54.6 | -38.1 | 0 | 0 | 0 | 112.9 | M221 L225 | M221-D223 VanDerWaalsContact C-N 3.34Å; M221-D223 PolarHBondContact O-N 3.41Å; D223-L225 PolarHBondContact O-N 3.17Å |
| 224 | M | 82.6 | Confident | 88 | Confident | 63 Ų | 63 | 66.6 Ų | 66.6 | 31% | 0.31 | 34% | 0.337 | S | S | . | . | trans | -96.7 | 88.7 | -178.8 | -141.1 | -157.6 | -59.1 | 0 | 0 | 110.7 | T31 W205 M221 | T31-M224 HydrophobicContact CG2-CE 3.87Å; W205-M224 HydrophobicContact CB-CB 4.28Å; W205-M224 HydrophobicContact CB-CE 4.34Å; W205-M224 HydrophobicContact CB-SD 4.42Å; W205-M224 VanDerWaalsContact CD1-O 3.25Å; W205-M224 HydrophobicContact CD2-CE 3.92Å; W205-M224 HydrophobicContact CD2-SD 3.39Å; W205-M224 HydrophobicContact CE3-CE 3.96Å; W205-M224 HydrophobicContact CE3-SD 3.88Å; W205-M224 HydrophobicContact CG-CB 4.1Å; W205-M224 HydrophobicContact CG-CE 4.1Å; W205-M224 HydrophobicContact CG-CG 4.36Å; W205-M224 HydrophobicContact CG-SD 3.64Å; W205-M224 HydrophobicContact CH2-SD 4.41Å; W205-M224 HydrophobicContact CZ2-SD 3.96Å; W205-M224 HydrophobicContact CZ3-SD 4.37Å; M221-M224 HydrophobicContact CB-CB 4.44Å | ||
| 225 | L | 75.8 | Confident | 88.3 | Confident | 92 Ų | 92 | 61.4 Ų | 61.4 | 48% | 0.482 | 32% | 0.315 | S | S | . | . | trans | -93.6 | -17.5 | -179.9 | -64.7 | 172.1 | 0 | 0 | 0 | 113.6 | D223 L760 | D223-L225 PolarHBondContact O-N 3.17Å; L225-L760 HydrophobicContact CB-CD2 4.03Å; L225-L760 WeakPolarHBondContact O-CD2 3.39Å | ||
| 226 | S | 75.1 | Confident | 88.4 | Confident | 74 Ų | 74 | 61.3 Ų | 61.3 | 52% | 0.517 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 138 | 175.6 | 49.5 | 0 | 0 | 0 | 0 | 110.4 | W205 | W205-S226 PolarHBondContact NE1-O 2.73Š|
| 227 | R | 80.9 | Confident | 88.7 | Confident | 58 Ų | 58 | 55.9 Ų | 55.9 | 22% | 0.219 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -91 | 147.1 | 179.8 | -59 | 177.5 | -168 | -170.3 | 4.3 | 109.9 | H436 P437 S441 S763 | R227-H436 PolarHBondContact NH1-O 3.02Å; R227-P437 PolarHBondContact NH1-O 3.46Å; R227-P437 PolarHBondContact NH2-O 3.37Å; R227-S441 PolarHBondContact NH2-OG 3.4Å; R227-S763 PolarHBondContact NH2-OG 2.94Å |
| 228 | P | 81.7 | Confident | 88.9 | Confident | 19 Ų | 19 | 51.6 Ų | 51.6 | 12% | 0.123 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 167.2 | 166.1 | 32.7 | -35 | 0 | 0 | 0 | 110 | W33 I58 W205 P230 | W33-P228 HydrophobicContact CB-CG 3.77Å; W33-P228 HydrophobicContact CD2-CG 3.67Å; W33-P228 HydrophobicContact CE3-CG 3.69Å; W33-P228 HydrophobicContact CG-CG 3.73Å; W33-P228 HydrophobicContact CZ3-CG 4.38Å; I58-P228 HydrophobicContact CG2-CB 4.23Å; I58-P228 HydrophobicContact CG2-CG 4.44Å; W205-P228 HydrophobicContact CH2-CB 4.23Å; W205-P228 HydrophobicContact CH2-CG 4.48Å; W205-P228 HydrophobicContact CZ2-CB 4.03Å; W205-P228 HydrophobicContact CZ2-CG 4.1Å; P228-P230 WeakPolarHBondContact O-CD 3.24Å |
| 229 | E | 80.6 | Confident | 89 | Confident | 178 Ų | 178 | 50.7 Ų | 50.7 | 83% | 0.832 | 26% | 0.261 | S | S | * | . | trans | -95.2 | 93.2 | 171.5 | -68.1 | -175.7 | 175.1 | 0 | 0 | 108.9 | ||||
| 230 | P | 90.3 | Very high | 88.9 | Confident | 8 Ų | 8 | 49 Ų | 49 | 5% | 0.052 | 25% | 0.25 | C | C | . | . | trans | -66.8 | 153 | 174.8 | 28.8 | -34.5 | 0 | 0 | 0 | 110.5 | I35 I58 P228 I232 D318 I319 | I35-P230 HydrophobicContact CD1-CB 4.04Å; I58-P230 HydrophobicContact CD1-CB 4.02Å; P228-P230 WeakPolarHBondContact O-CD 3.24Å; P230-I232 HydrophobicContact CG-CD1 4.11Å; P230-I232 HydrophobicContact CG-CG1 4.19Å; P230-I232 WeakPolarHBondContact O-CG1 3.37Å; P230-I232 PolarHBondContact O-N 2.87Å; P230-D318 HydrophobicContact CB-CB 3.98Å; P230-I319 HydrophobicContact CB-CD1 3.99Å; P230-I319 HydrophobicContact CG-CD1 3.68Å | ||
| 231 | S | 92.5 | Very high | 88.7 | Confident | 14 Ų | 14 | 47.3 Ų | 47.3 | 10% | 0.098 | 24% | 0.239 | C | C | . | . | trans | -70.4 | 119.5 | 170.9 | -172.6 | 0 | 0 | 0 | 0 | 109.3 | N262 D318 I319 | S231-N262 WeakPolarHBondContact CA-OD1 3.44Å; S231-N262 PolarHBondContact OG-ND2 3.16Å; S231-D318 PolarHBondContact N-OD2 2.96Å; S231-D318 PolarHBondContact O-N 3.25Å; S231-I319 PolarHBondContact O-N 3.42Å | ||
| 232 | I | 95.4 | Very high | 88 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 126 | -173.4 | -63.9 | 159.4 | 0 | 0 | 0 | 108.7 | P230 V261 N262 I319 V321 Y428 Y431 M432 | P230-I232 HydrophobicContact CG-CD1 4.11Å; P230-I232 HydrophobicContact CG-CG1 4.19Å; P230-I232 WeakPolarHBondContact O-CG1 3.37Å; P230-I232 PolarHBondContact O-N 2.87Å; I232-V261 WeakPolarHBondContact O-CA 3.19Å; I232-N262 PolarHBondContact N-OD1 2.99Å; I232-N262 PolarHBondContact O-N 3.3Å; I232-N262 VanDerWaalsContact O-N 3.1Å; I232-I319 WeakPolarHBondContact CA-O 3.42Å; I232-I319 HydrophobicContact CG1-CB 4.24Å; I232-I319 HydrophobicContact CG1-CD1 4.29Å; I232-V321 HydrophobicContact CG2-CG2 3.8Å; I232-Y428 HydrophobicContact CB-CE2 4.36Å; I232-Y428 HydrophobicContact CG2-CD2 4.31Å; I232-Y428 HydrophobicContact CG2-CE2 3.98Å; I232-Y431 HydrophobicContact CD1-CE1 3.97Å; I232-Y431 HydrophobicContact CG1-CE1 4.29Å; I232-Y431 HydrophobicContact CG2-CD1 4.05Å; I232-Y431 HydrophobicContact CG2-CE1 3.98Å; I232-M432 HydrophobicContact CD1-CE 4.03Å; I232-M432 HydrophobicContact CD1-SD 3.29Å; I232-M432 WeakPolarHBondContact CD1-SD 3.34Å |
| 233 | L | 97.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 116.2 | 173 | -174.1 | 154.8 | 0 | 0 | 0 | 109.4 | F235 Y259 M260 V261 F312 P317 I319 V320 V321 | L233-F235 HydrophobicContact CD2-CB 3.97Å; L233-F235 HydrophobicContact CD2-CD1 3.86Å; L233-F235 HydrophobicContact CD2-CG 4.33Å; L233-Y259 HydrophobicContact CD1-CD2 4.21Å; L233-Y259 HydrophobicContact CG-CD2 4.37Å; L233-M260 CarbonylContact C-O 3.56Å; L233-M260 VanDerWaalsContact CA-O 3.26Å; L233-M260 WeakPolarHBondContact CA-O 3.36Å; L233-V261 HydrophobicContact CB-CG2 4.48Å; L233-V261 HydrophobicContact CD1-CG2 3.99Å; L233-V261 HydrophobicContact CG-CG2 4.11Å; L233-F312 HydrophobicContact CD1-CD2 3.61Å; L233-F312 HydrophobicContact CD1-CE2 4.03Å; L233-F312 HydrophobicContact CD1-CG 4.23Å; L233-F312 HydrophobicContact CD2-CD2 4.18Å; L233-F312 HydrophobicContact CD2-CE2 4.02Å; L233-P317 HydrophobicContact CB-CB 3.7Å; L233-P317 HydrophobicContact CB-CG 4Å; L233-P317 HydrophobicContact CD1-CG 4.27Å; L233-I319 PolarHBondContact N-O 3.43Å; L233-V320 CarbonylContact O-C 3.55Å; L233-V320 VanDerWaalsContact O-CA 3.23Å; L233-V320 WeakPolarHBondContact O-CA 3.27Å; L233-V321 PolarHBondContact O-N 3.29Å |
| 234 | A | 97.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 129 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y259 M260 V321 T427 Y428 | A234-Y259 CarbonylContact O-C 3.57Å; A234-Y259 WeakPolarHBondContact O-CA 3.44Å; A234-Y259 VanDerWaalsContact O-CB 3.25Å; A234-Y259 WeakPolarHBondContact O-CB 3.46Å; A234-M260 PolarHBondContact N-O 3.21Å; A234-M260 PolarHBondContact O-N 3.19Å; A234-V321 VanDerWaalsContact CA-O 3.29Å; A234-V321 WeakPolarHBondContact CA-O 3.37Å; A234-V321 HydrophobicContact CB-CB 3.82Å; A234-V321 HydrophobicContact CB-CG1 4.38Å; A234-T427 HydrophobicContact CB-CG2 4.34Å; A234-Y428 HydrophobicContact CB-CD2 3.9Å; A234-Y428 HydrophobicContact CB-CG 4.34Å |
| 235 | F | 97.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 160.2 | -179.2 | 80.5 | -85.5 | 0 | 0 | 0 | 113 | L233 I237 I257 S258 F308 V320 V321 T322 D329 W330 I333 | L233-F235 HydrophobicContact CD2-CB 3.97Å; L233-F235 HydrophobicContact CD2-CD1 3.86Å; L233-F235 HydrophobicContact CD2-CG 4.33Å; F235-I237 HydrophobicContact CD2-CG2 4.01Å; F235-I237 HydrophobicContact CE2-CG2 3.99Å; F235-I257 HydrophobicContact CD2-CG2 4.46Å; F235-S258 CarbonylContact C-O 3.6Å; F235-S258 VanDerWaalsContact CA-O 3.23Å; F235-S258 WeakPolarHBondContact CA-O 3.46Å; F235-S258 WeakPolarHBondContact CB-O 3.42Å; F235-F308 HydrophobicContact CB-CZ 4.48Å; F235-F308 HydrophobicContact CD1-CZ 4.32Å; F235-F308 HydrophobicContact CD2-CZ 4.26Å; F235-F308 HydrophobicContact CG-CZ 4.11Å; F235-V320 HydrophobicContact CD1-CG1 3.83Å; F235-V320 HydrophobicContact CE1-CG1 3.62Å; F235-V321 PolarHBondContact N-O 3.41Å; F235-T322 HydrophobicContact CD1-CG2 3.88Å; F235-T322 HydrophobicContact CE1-CG2 3.35Å; F235-T322 HydrophobicContact CE2-CG2 4.4Å; F235-T322 HydrophobicContact CZ-CG2 3.65Å; F235-D329 HydrophobicContact CE2-CB 3.88Å; F235-D329 HydrophobicContact CZ-CB 4.19Å; F235-W330 HydrophobicContact CE1-CH2 4.21Å; F235-W330 AromaticContact CE1-CZ2 3.84Å; F235-W330 HydrophobicContact CE1-CZ2 3.84Å; F235-W330 HydrophobicContact CZ-CD2 4.18Å; F235-W330 HydrophobicContact CZ-CE3 4.43Å; F235-W330 HydrophobicContact CZ-CH2 4.41Å; F235-W330 HydrophobicContact CZ-CZ2 4.18Å; F235-I333 HydrophobicContact CD2-CD1 4.42Å; F235-I333 HydrophobicContact CE2-CD1 3.5Å; F235-I333 VanDerWaalsContact CE2-CD1 3.5Å; F235-I333 HydrophobicContact CZ-CD1 3.97Å |
| 236 | D | 96.9 | Very high | 87 | Confident | 16 Ų | 16 | 37.7 Ų | 37.7 | 9% | 0.086 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 151.6 | 174.5 | -170.2 | 80.5 | 0 | 0 | 0 | 108.8 | S258 D423 | D236-S258 PolarHBondContact N-O 2.68Å; D236-S258 PolarHBondContact O-N 3Å; D236-D423 HydrophobicContact CB-CB 4.23Å |
| 237 | I | 96.6 | Very high | 87.4 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 144.8 | -179.3 | 71.5 | 178.7 | 0 | 0 | 0 | 111.7 | F235 I254 M256 I257 F328 D329 F332 I333 | F235-I237 HydrophobicContact CD2-CG2 4.01Å; F235-I237 HydrophobicContact CE2-CG2 3.99Å; I237-I254 HydrophobicContact CB-CG2 4.47Å; I237-M256 WeakPolarHBondContact CA-O 3.28Å; I237-I257 HydrophobicContact CG2-CD1 4.45Å; I237-I257 HydrophobicContact CG2-CG1 3.95Å; I237-I257 HydrophobicContact CG2-CG2 4.29Å; I237-F328 HydrophobicContact CD1-CE1 4.4Å; I237-F328 HydrophobicContact CG1-CE1 4.12Å; I237-D329 HydrophobicContact CD1-CB 4.32Å; I237-D329 HydrophobicContact CG1-CB 4.4Å; I237-F332 HydrophobicContact CD1-CB 3.87Å; I237-F332 HydrophobicContact CD1-CD1 4.3Å; I237-F332 HydrophobicContact CD1-CG 4.28Å; I237-I333 HydrophobicContact CD1-CG1 4.15Å; I237-I333 HydrophobicContact CG2-CD1 3.93Å; I237-I333 HydrophobicContact CG2-CG1 4.33Å |
| 238 | E | 95.2 | Very high | 87.7 | Confident | 21 Ų | 21 | 34.7 Ų | 34.7 | 10% | 0.098 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 132.2 | 171.2 | -67.2 | -62.1 | 169.3 | 0 | 0 | 110.1 | M255 M256 L405 Y419 | E238-M255 HydrophobicContact CB-CE 4.25Å; E238-M255 PolarHBondContact O-N 3.14Å; E238-M256 HydrophobicContact CB-CB 4.28Å; E238-M256 PolarHBondContact N-O 3.44Å; E238-M256 PolarHBondContact O-N 2.94Å; E238-L405 WeakPolarHBondContact OE2-CD1 3.39Å; E238-Y419 HydrophobicContact CG-CE1 4.22Å; E238-Y419 WeakPolarHBondContact OE1-CE1 3.41Å; E238-Y419 PolarHBondContact OE1-OH 2.71Å; E238-Y419 VanDerWaalsContact OE1-OH 3.08Å |
| 239 | C | 95.1 | Very high | 88.1 | Confident | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.034 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 152 | -171 | -56.3 | 0 | 0 | 0 | 0 | 111.2 | P247 N253 M255 F332 | C239-P247 HydrophobicContact CB-CB 3.88Å; C239-P247 HydrophobicContact CB-CG 4.13Å; C239-N253 CarbonylContact C-O 3.52Å; C239-N253 WeakPolarHBondContact CA-O 3.33Å; C239-M255 VanDerWaalsContact C-CE 3.45Å; C239-M255 WeakPolarHBondContact O-CE 3.39Å; C239-F332 HydrophobicContact CB-CE1 4.07Å; C239-F332 HydrophobicContact CB-CE2 4.44Å; C239-F332 HydrophobicContact CB-CZ 3.89Å; C239-F332 VanDerWaalsContact SG-CE1 3.51Å |
| 240 | T | 93 | Very high | 88.4 | Confident | 21 Ų | 21 | 31.3 Ų | 31.3 | 13% | 0.129 | 19% | 0.186 | C | C | . | . | trans | -61.8 | 158.5 | 164.9 | 64.7 | 0 | 0 | 0 | 0 | 109 | D252 N253 M255 V273 | T240-D252 WeakPolarHBondContact O-CB 3.26Å; T240-D252 VanDerWaalsContact OG1-CA 3.29Å; T240-D252 WeakPolarHBondContact OG1-CA 3.43Å; T240-D252 WeakPolarHBondContact OG1-CB 3.33Å; T240-D252 PolarHBondContact OG1-OD1 3.22Å; T240-N253 HydrophobicContact CG2-CB 4.37Å; T240-N253 PolarHBondContact N-O 3.41Å; T240-N253 PolarHBondContact OG1-N 3.37Å; T240-M255 HydrophobicContact CG2-CG 3.53Å; T240-M255 HydrophobicContact CG2-SD 3.6Å; T240-V273 HydrophobicContact CG2-CB 4.5Å; T240-V273 HydrophobicContact CG2-CG1 3.77Å; T240-V273 HydrophobicContact CG2-CG2 3.93Å | ||
| 241 | K | 87.5 | Confident | 88.4 | Confident | 29 Ų | 29 | 36.5 Ų | 36.5 | 13% | 0.126 | 21% | 0.207 | C | C | . | . | trans | -155.9 | 152.4 | 170.1 | 64.9 | -167.9 | -155.8 | 70.6 | 0 | 110.1 | K245 P247 D252 P402 E403 V406 | K241-K245 WeakPolarHBondContact CD-O 3.33Å; K241-K245 PolarHBondContact NZ-O 3.3Å; K241-P247 HydrophobicContact CB-CB 4.43Å; K241-P247 HydrophobicContact CB-CG 4.08Å; K241-P247 HydrophobicContact CD-CG 4.28Å; K241-D252 VanDerWaalsContact CA-OD1 3.32Å; K241-D252 WeakPolarHBondContact CA-OD1 3.39Å; K241-D252 PolarHBondContact N-OD1 3.22Å; K241-P402 WeakPolarHBondContact CE-O 3.47Å; K241-E403 IonicContact NZ-OE1 3.68Å; K241-E403 PolarHBondContact NZ-OE1 2.88Å; K241-E403 IonicContact NZ-OE2 2.64Å; K241-E403 PolarHBondContact NZ-OE2 3.34Å; K241-V406 HydrophobicContact CG-CG2 4.48Å | ||
| 242 | A | 77.6 | Confident | 88.5 | Confident | 41 Ų | 41 | 36.4 Ų | 36.4 | 34% | 0.339 | 21% | 0.206 | S | C | . | . | trans | -62.9 | 145 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | L244 K245 | A242-L244 PolarHBondContact O-N 3.38Å; A242-K245 HydrophobicContact CB-CB 4.24Å; A242-K245 HydrophobicContact CB-CD 4.05Å; A242-K245 HydrophobicContact CB-CG 4.33Å; A242-K245 PolarHBondContact O-N 3.16Å; A242-K245 VanDerWaalsContact O-N 3.07Å | ||
| 243 | A | 71.8 | Confident | 88.4 | Confident | 77 Ų | 77 | 38.7 Ų | 38.7 | 64% | 0.636 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 133.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | K245 | A243-K245 PolarHBondContact O-N 2.95Å; A243-K245 VanDerWaalsContact O-N 3.16Å |
| 244 | L | 71.4 | Confident | 88.4 | Confident | 30 Ų | 30 | 38.7 Ų | 38.7 | 16% | 0.157 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 7.5 | 179.8 | -52.9 | 172.3 | 0 | 0 | 0 | 115.6 | A242 E403 F1002 L1003 A1036 K1039 A1040 | A242-L244 PolarHBondContact O-N 3.38Å; L244-E403 WeakPolarHBondContact CA-OE1 3.33Å; L244-E403 HydrophobicContact CD2-CG 4.08Å; L244-E403 PolarHBondContact N-OE1 3.1Å; L244-E403 PolarHBondContact N-OE2 2.86Å; L244-F1002 HydrophobicContact CD1-CE2 3.62Å; L244-F1002 HydrophobicContact CD1-CZ 4.06Å; L244-L1003 HydrophobicContact CB-CD1 4.13Å; L244-L1003 HydrophobicContact CB-CD2 3.44Å; L244-L1003 VanDerWaalsContact CB-CD2 3.44Å; L244-L1003 HydrophobicContact CB-CG 4.44Å; L244-L1003 HydrophobicContact CD1-CD2 4.04Å; L244-L1003 HydrophobicContact CG-CD2 4.38Å; L244-L1003 WeakPolarHBondContact O-CD1 3.32Å; L244-A1036 HydrophobicContact CD2-CB 4.26Å; L244-K1039 HydrophobicContact CD2-CB 4.16Å; L244-A1040 HydrophobicContact CD1-CB 4.12Å |
| 245 | K | 74.2 | Confident | 88.3 | Confident | 74 Ų | 74 | 38.7 Ų | 38.7 | 32% | 0.322 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -108.5 | 161.2 | 175.2 | -62.4 | -169.7 | 177.7 | -168.9 | 0 | 112 | K241 A242 A243 L1003 | K241-K245 WeakPolarHBondContact CD-O 3.33Å; K241-K245 PolarHBondContact NZ-O 3.3Å; A242-K245 HydrophobicContact CB-CB 4.24Å; A242-K245 HydrophobicContact CB-CD 4.05Å; A242-K245 HydrophobicContact CB-CG 4.33Å; A242-K245 PolarHBondContact O-N 3.16Å; A242-K245 VanDerWaalsContact O-N 3.07Å; A243-K245 PolarHBondContact O-N 2.95Å; A243-K245 VanDerWaalsContact O-N 3.16Å; K245-L1003 WeakPolarHBondContact CE-O 3.47Å; K245-L1003 PolarHBondContact NZ-O 3.03Å |
| 246 | F | 79 | Confident | 88.3 | Confident | 120 Ų | 120 | 38.7 Ų | 38.7 | 53% | 0.526 | 22% | 0.218 | S | C | . | . | trans | -76.6 | 149.5 | 165.6 | -78.6 | -84.3 | 0 | 0 | 0 | 110 | D248 M1007 | F246-D248 PolarHBondContact O-N 3.26Å; F246-M1007 HydrophobicContact CD2-CE 4.34Å | ||
| 247 | P | 83.9 | Confident | 88.3 | Confident | 27 Ų | 27 | 37.9 Ų | 37.9 | 18% | 0.175 | 21% | 0.214 | C | C | . | . | trans | -55.6 | 131.8 | 174.9 | -23.8 | 33.1 | 0 | 0 | 0 | 112.1 | C239 K241 F328 F332 | C239-P247 HydrophobicContact CB-CB 3.88Å; C239-P247 HydrophobicContact CB-CG 4.13Å; K241-P247 HydrophobicContact CB-CB 4.43Å; K241-P247 HydrophobicContact CB-CG 4.08Å; K241-P247 HydrophobicContact CD-CG 4.28Å; P247-F328 HydrophobicContact CB-CE2 4.34Å; P247-F328 HydrophobicContact CB-CZ 4.28Å; P247-F328 HydrophobicContact CG-CE2 4.31Å; P247-F328 HydrophobicContact CG-CZ 4.05Å; P247-F332 HydrophobicContact CB-CD2 4.48Å; P247-F332 HydrophobicContact CB-CE2 3.58Å; P247-F332 HydrophobicContact CB-CZ 4.04Å | ||
| 248 | D | 87.1 | Confident | 88.4 | Confident | 43 Ų | 43 | 37.8 Ų | 37.8 | 23% | 0.23 | 21% | 0.214 | C | C | . | . | trans | -108.7 | 113.6 | 174.8 | -174 | -27.1 | 0 | 0 | 0 | 110.4 | F246 S250 F251 D252 | F246-D248 PolarHBondContact O-N 3.26Å; D248-S250 PolarHBondContact O-N 3.5Å; D248-S250 VanDerWaalsContact OD1-CB 3.27Å; D248-S250 WeakPolarHBondContact OD1-CB 3.39Å; D248-S250 PolarHBondContact OD1-N 3.49Å; D248-S250 PolarHBondContact OD1-OG 3.34Å; D248-S250 PolarHBondContact OD2-OG 2.89Å; D248-F251 HydrophobicContact CB-CD1 4.41Å; D248-F251 HydrophobicContact CB-CE1 3.71Å; D248-F251 HydrophobicContact CB-CE2 4.04Å; D248-F251 HydrophobicContact CB-CZ 3.51Å; D248-F251 PolarHBondContact O-N 2.76Å; D248-F251 WeakPolarHBondContact OD2-CE1 3.33Å; D248-D252 PolarHBondContact N-OD2 3.08Å; D248-D252 VanDerWaalsContact O-CB 3.29Å; D248-D252 WeakPolarHBondContact O-CB 3.29Å; D248-D252 PolarHBondContact O-N 3.01Å | ||
| 249 | P | 90.1 | Very high | 88.5 | Confident | 41 Ų | 41 | 36.8 Ų | 36.8 | 27% | 0.266 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -13.2 | -176.7 | 26 | -33.8 | 0 | 0 | 0 | 114.1 | F251 F332 A335 R336 | P249-F251 VanDerWaalsContact C-N 3.29Å; P249-F251 PolarHBondContact O-N 3.26Å; P249-F332 HydrophobicContact CB-CD1 4.27Å; P249-F332 HydrophobicContact CB-CD2 3.72Å; P249-F332 HydrophobicContact CB-CE1 4.3Å; P249-F332 HydrophobicContact CB-CE2 3.74Å; P249-F332 HydrophobicContact CB-CG 4Å; P249-F332 HydrophobicContact CB-CZ 4.05Å; P249-F332 HydrophobicContact CG-CD2 4.14Å; P249-F332 HydrophobicContact CG-CE2 4.24Å; P249-A335 HydrophobicContact CB-CB 3.7Å; P249-A335 HydrophobicContact CG-CB 4.25Å; P249-R336 WeakPolarHBondContact O-CD 3.14Å; P249-R336 PolarHBondContact O-NH1 3.01Å |
| 250 | S | 87.2 | Confident | 88.6 | Confident | 85 Ų | 85 | 36.6 Ų | 36.6 | 59% | 0.594 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -26.3 | 176.9 | 65.3 | 0 | 0 | 0 | 0 | 113.5 | D248 | D248-S250 PolarHBondContact O-N 3.5Å; D248-S250 VanDerWaalsContact OD1-CB 3.27Å; D248-S250 WeakPolarHBondContact OD1-CB 3.39Å; D248-S250 PolarHBondContact OD1-N 3.49Å; D248-S250 PolarHBondContact OD1-OG 3.34Å; D248-S250 PolarHBondContact OD2-OG 2.89Å |
| 251 | F | 88.4 | Confident | 88.7 | Confident | 116 Ų | 116 | 36.1 Ų | 36.1 | 51% | 0.509 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -144.2 | -20.2 | -179.8 | 54.6 | -99.6 | 0 | 0 | 0 | 115.4 | D248 P249 N253 | D248-F251 HydrophobicContact CB-CD1 4.41Å; D248-F251 HydrophobicContact CB-CE1 3.71Å; D248-F251 HydrophobicContact CB-CE2 4.04Å; D248-F251 HydrophobicContact CB-CZ 3.51Å; D248-F251 PolarHBondContact O-N 2.76Å; D248-F251 WeakPolarHBondContact OD2-CE1 3.33Å; P249-F251 VanDerWaalsContact C-N 3.29Å; P249-F251 PolarHBondContact O-N 3.26Å; F251-N253 PolarHBondContact O-OD1 3.44Å |
| 252 | D | 94.7 | Very high | 88.9 | Confident | 13 Ų | 13 | 39 Ų | 39 | 7% | 0.07 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -77.1 | 137.8 | 176.1 | -76.7 | -51.1 | 0 | 0 | 0 | 111.3 | T240 K241 D248 F332 R336 | T240-D252 WeakPolarHBondContact O-CB 3.26Å; T240-D252 VanDerWaalsContact OG1-CA 3.29Å; T240-D252 WeakPolarHBondContact OG1-CA 3.43Å; T240-D252 WeakPolarHBondContact OG1-CB 3.33Å; T240-D252 PolarHBondContact OG1-OD1 3.22Å; K241-D252 VanDerWaalsContact CA-OD1 3.32Å; K241-D252 WeakPolarHBondContact CA-OD1 3.39Å; K241-D252 PolarHBondContact N-OD1 3.22Å; D248-D252 PolarHBondContact N-OD2 3.08Å; D248-D252 VanDerWaalsContact O-CB 3.29Å; D248-D252 WeakPolarHBondContact O-CB 3.29Å; D248-D252 PolarHBondContact O-N 3.01Å; D252-F332 HydrophobicContact CB-CZ 4Å; D252-R336 VanDerWaalsContact O-CD 3.24Å; D252-R336 WeakPolarHBondContact O-CD 3.31Å; D252-R336 PolarHBondContact O-NE 2.59Å |
| 253 | N | 94.7 | Very high | 89.5 | Confident | 51 Ų | 51 | 38.1 Ų | 38.1 | 27% | 0.273 | 22% | 0.216 | S | C | . | . | P | Polyproline II helix | trans | -95.2 | 149.5 | -176.1 | -64.2 | -7.6 | 0 | 0 | 0 | 111.1 | C239 T240 F251 M255 E301 R336 | C239-N253 CarbonylContact C-O 3.52Å; C239-N253 WeakPolarHBondContact CA-O 3.33Å; T240-N253 HydrophobicContact CG2-CB 4.37Å; T240-N253 PolarHBondContact N-O 3.41Å; T240-N253 PolarHBondContact OG1-N 3.37Å; F251-N253 PolarHBondContact O-OD1 3.44Å; N253-M255 PolarHBondContact O-N 3.22Å; N253-E301 WeakPolarHBondContact CA-OE1 3.43Å; N253-E301 PolarHBondContact OD1-OE2 3.48Å; N253-R336 PolarHBondContact OD1-NH2 3.05Å |
| 254 | I | 97.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 123.8 | 165.7 | -58 | 166 | 0 | 0 | 0 | 108.6 | I237 I257 N270 E301 L304 L305 F332 I333 R336 | I237-I254 HydrophobicContact CB-CG2 4.47Å; I254-I257 HydrophobicContact CG2-CD1 4.2Å; I254-I257 HydrophobicContact CG2-CG1 3.72Å; I254-N270 WeakPolarHBondContact O-CB 3.23Å; I254-N270 PolarHBondContact O-ND2 2.89Å; I254-E301 HydrophobicContact CB-CG 4.3Å; I254-E301 PolarHBondContact N-OE1 3.31Å; I254-L304 HydrophobicContact CB-CD2 4.28Å; I254-L304 HydrophobicContact CG2-CD1 4.37Å; I254-L304 HydrophobicContact CG2-CD2 3.87Å; I254-L305 HydrophobicContact CD1-CD1 4.44Å; I254-L305 HydrophobicContact CD1-CD2 3.86Å; I254-L305 HydrophobicContact CD1-CG 4.39Å; I254-F332 HydrophobicContact CD1-CD1 4.35Å; I254-F332 HydrophobicContact CG1-CD1 3.91Å; I254-F332 HydrophobicContact CG1-CE1 4Å; I254-I333 HydrophobicContact CD1-CG1 4.03Å; I254-R336 HydrophobicContact CD1-CB 4.17Å; I254-R336 HydrophobicContact CD1-CG 4.23Å; I254-R336 HydrophobicContact CG1-CG 4.28Å |
| 255 | M | 95.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -40.1 | -179.1 | -54.6 | -174.2 | -59 | 0 | 0 | 111.9 | E238 C239 T240 N253 N270 V273 V406 | E238-M255 HydrophobicContact CB-CE 4.25Å; E238-M255 PolarHBondContact O-N 3.14Å; C239-M255 VanDerWaalsContact C-CE 3.45Å; C239-M255 WeakPolarHBondContact O-CE 3.39Å; T240-M255 HydrophobicContact CG2-CG 3.53Å; T240-M255 HydrophobicContact CG2-SD 3.6Å; N253-M255 PolarHBondContact O-N 3.22Å; M255-N270 WeakPolarHBondContact O-CB 3.38Å; M255-N270 PolarHBondContact O-N 2.92Å; M255-V273 HydrophobicContact CB-CG1 4.44Å; M255-V273 HydrophobicContact CG-CB 4.2Å; M255-V273 HydrophobicContact CG-CG1 3.73Å; M255-V273 HydrophobicContact CG-CG2 4.38Å; M255-V273 HydrophobicContact SD-CG1 3.59Å; M255-V273 VanDerWaalsContact SD-CG1 3.59Å; M255-V406 HydrophobicContact CE-CG2 4.28Å; M255-V406 HydrophobicContact SD-CG2 4Å |
| 256 | M | 97.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 143.7 | -178.1 | -54.9 | -176.2 | -178.7 | 0 | 0 | 110.7 | I237 E238 L267 I268 I269 V274 V416 | I237-M256 WeakPolarHBondContact CA-O 3.28Å; E238-M256 HydrophobicContact CB-CB 4.28Å; E238-M256 PolarHBondContact N-O 3.44Å; E238-M256 PolarHBondContact O-N 2.94Å; M256-L267 HydrophobicContact CB-CD1 4.12Å; M256-I268 VanDerWaalsContact CA-O 3.26Å; M256-I268 WeakPolarHBondContact CA-O 3.42Å; M256-I269 HydrophobicContact CB-CD1 4.41Å; M256-I269 HydrophobicContact CE-CD1 3.93Å; M256-I269 HydrophobicContact CG-CD1 3.69Å; M256-I269 HydrophobicContact SD-CD1 3.8Å; M256-V274 HydrophobicContact CE-CG1 4.45Å; M256-V274 HydrophobicContact CE-CG2 3.65Å; M256-V416 HydrophobicContact CE-CB 3.95Å; M256-V416 HydrophobicContact CE-CG1 3.57Å; M256-V416 HydrophobicContact SD-CG1 3.98Å |
| 257 | I | 98 | Very high | 93.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 111.6 | 165.1 | -57.4 | -178.5 | 0 | 0 | 0 | 107.4 | F235 I237 I254 Y259 I268 L304 L305 F308 | F235-I257 HydrophobicContact CD2-CG2 4.46Å; I237-I257 HydrophobicContact CG2-CD1 4.45Å; I237-I257 HydrophobicContact CG2-CG1 3.95Å; I237-I257 HydrophobicContact CG2-CG2 4.29Å; I254-I257 HydrophobicContact CG2-CD1 4.2Å; I254-I257 HydrophobicContact CG2-CG1 3.72Å; I257-Y259 HydrophobicContact CG2-CD1 4Å; I257-I268 PolarHBondContact N-O 3.09Å; I257-I268 PolarHBondContact O-N 3.37Å; I257-L304 HydrophobicContact CD1-CD2 3.43Å; I257-L304 VanDerWaalsContact CD1-CD2 3.43Å; I257-L304 HydrophobicContact CD1-CG 4.38Å; I257-L304 HydrophobicContact CG1-CD2 3.78Å; I257-L304 HydrophobicContact CG1-CG 4.43Å; I257-L305 HydrophobicContact CD1-CD2 4.17Å; I257-F308 HydrophobicContact CD1-CB 4.01Å; I257-F308 HydrophobicContact CD1-CD1 3.97Å; I257-F308 HydrophobicContact CD1-CD2 4.48Å; I257-F308 HydrophobicContact CD1-CG 3.9Å; I257-F308 HydrophobicContact CG2-CD2 3.8Å; I257-F308 HydrophobicContact CG2-CE2 3.81Å; I257-F308 HydrophobicContact CG2-CG 4.26Å; I257-F308 HydrophobicContact CG2-CZ 4.27Å |
| 258 | S | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 135.9 | 174.4 | 67.1 | 0 | 0 | 0 | 0 | 109.1 | F235 D236 S420 A424 | F235-S258 CarbonylContact C-O 3.6Å; F235-S258 VanDerWaalsContact CA-O 3.23Å; F235-S258 WeakPolarHBondContact CA-O 3.46Å; F235-S258 WeakPolarHBondContact CB-O 3.42Å; D236-S258 PolarHBondContact N-O 2.68Å; D236-S258 PolarHBondContact O-N 3Å; S258-S420 WeakPolarHBondContact CB-O 3.1Å; S258-S420 WeakPolarHBondContact CB-OG 3.3Å; S258-S420 PolarHBondContact OG-O 2.91Å; S258-S420 PolarHBondContact OG-OG 3.47Å; S258-A424 WeakPolarHBondContact OG-CB 3.44Å |
| 259 | Y | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 151.3 | -180 | 57 | -75.1 | 0 | 0 | 0 | 112.4 | L233 A234 I257 V261 G265 Y266 I268 F308 H311 | L233-Y259 HydrophobicContact CD1-CD2 4.21Å; L233-Y259 HydrophobicContact CG-CD2 4.37Å; A234-Y259 CarbonylContact O-C 3.57Å; A234-Y259 WeakPolarHBondContact O-CA 3.44Å; A234-Y259 VanDerWaalsContact O-CB 3.25Å; A234-Y259 WeakPolarHBondContact O-CB 3.46Å; I257-Y259 HydrophobicContact CG2-CD1 4Å; Y259-V261 HydrophobicContact CD2-CG2 3.97Å; Y259-V261 HydrophobicContact CE2-CG2 4.28Å; Y259-G265 CarbonylContact O-C 3.59Å; Y259-Y266 HydrophobicContact CD2-CD2 4.22Å; Y259-Y266 AromaticContact CE2-CD2 3.85Å; Y259-Y266 HydrophobicContact CE2-CD2 3.85Å; Y259-Y266 AromaticContact CE2-CG 3.87Å; Y259-Y266 HydrophobicContact CE2-CG 3.87Å; Y259-Y266 PolarHBondContact N-O 3.39Å; Y259-Y266 PolarHBondContact O-N 3.05Å; Y259-I268 HydrophobicContact CE1-CD1 3.63Å; Y259-I268 HydrophobicContact CE1-CG1 3.89Å; Y259-F308 HydrophobicContact CD1-CD2 4.2Å; Y259-F308 HydrophobicContact CD1-CE2 4.16Å; Y259-F308 HydrophobicContact CE1-CD2 4.07Å; Y259-F308 HydrophobicContact CE1-CE2 4.45Å; Y259-F308 HydrophobicContact CG-CE2 4.26Å; Y259-H311 AromaticContact CE2-CE1 3.84Å; Y259-H311 AromaticContact CE2-ND1 3.36Å; Y259-H311 WeakPolarHBondContact CE2-ND1 3.44Å; Y259-H311 AromaticContact CZ-ND1 3.5Å; Y259-H311 PolarHBondContact OH-ND1 3.19Å |
| 260 | M | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 135.9 | 173.4 | -64.3 | -164.2 | 82.3 | 0 | 0 | 110.1 | L233 A234 G263 Q264 F293 A424 V425 Y428 Y429 | L233-M260 CarbonylContact C-O 3.56Å; L233-M260 VanDerWaalsContact CA-O 3.26Å; L233-M260 WeakPolarHBondContact CA-O 3.36Å; A234-M260 PolarHBondContact N-O 3.21Å; A234-M260 PolarHBondContact O-N 3.19Å; M260-G263 WeakPolarHBondContact CE-O 3.39Å; M260-Q264 CarbonylContact C-O 3.58Å; M260-Q264 VanDerWaalsContact CA-O 3.3Å; M260-Q264 WeakPolarHBondContact CA-O 3.29Å; M260-F293 HydrophobicContact CG-CZ 4.23Å; M260-A424 HydrophobicContact CG-CB 4.35Å; M260-V425 HydrophobicContact CE-CG2 4.35Å; M260-V425 VanDerWaalsContact SD-CA 3.55Å; M260-V425 HydrophobicContact SD-CB 4.15Å; M260-V425 HydrophobicContact SD-CG2 3.71Å; M260-Y428 HydrophobicContact CB-CD2 3.9Å; M260-Y428 HydrophobicContact CB-CG 3.95Å; M260-Y428 HydrophobicContact CE-CD1 4.25Å; M260-Y428 HydrophobicContact CG-CG 4.43Å; M260-Y428 VanDerWaalsContact SD-CB 3.55Å; M260-Y428 HydrophobicContact SD-CD1 3.78Å; M260-Y428 HydrophobicContact SD-CG 3.72Å; M260-Y429 HydrophobicContact CE-CE2 4.38Å; M260-Y429 HydrophobicContact SD-CE2 4.45Å |
| 261 | V | 95.7 | Very high | 95.8 | Very high | 12 Ų | 12 | 23 Ų | 23 | 7% | 0.073 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 111.7 | 173.9 | 177.3 | 0 | 0 | 0 | 0 | 108 | I232 L233 Y259 G263 Q264 Y266 V315 | I232-V261 WeakPolarHBondContact O-CA 3.19Å; L233-V261 HydrophobicContact CB-CG2 4.48Å; L233-V261 HydrophobicContact CD1-CG2 3.99Å; L233-V261 HydrophobicContact CG-CG2 4.11Å; Y259-V261 HydrophobicContact CD2-CG2 3.97Å; Y259-V261 HydrophobicContact CE2-CG2 4.28Å; V261-G263 PolarHBondContact O-N 2.86Å; V261-Q264 PolarHBondContact N-O 3.19Å; V261-Q264 PolarHBondContact O-N 2.92Å; V261-Y266 HydrophobicContact CB-CE2 4.1Å; V261-Y266 HydrophobicContact CG2-CD2 4.25Å; V261-Y266 HydrophobicContact CG2-CE2 4.2Å; V261-V315 HydrophobicContact CB-CG1 4.33Å; V261-V315 HydrophobicContact CG1-CB 4.29Å; V261-V315 HydrophobicContact CG1-CG1 3.31Å; V261-V315 HydrophobicContact CG1-CG2 3.94Å; V261-V315 HydrophobicContact CG2-CG1 4.07Å; V261-V315 HydrophobicContact CG2-CG2 4.1Å |
| 262 | N | 91.3 | Very high | 96 | Very high | 89 Ų | 89 | 21 Ų | 21 | 48% | 0.476 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 35.2 | 177.6 | -56.1 | -30.9 | 0 | 0 | 0 | 114 | S231 I232 | S231-N262 WeakPolarHBondContact CA-OD1 3.44Å; S231-N262 PolarHBondContact OG-ND2 3.16Å; I232-N262 PolarHBondContact N-OD1 2.99Å; I232-N262 PolarHBondContact O-N 3.3Å; I232-N262 VanDerWaalsContact O-N 3.1Å |
| 263 | G | 90.1 | Very high | 95.9 | Very high | 23 Ų | 23 | 21.1 Ų | 21.1 | 24% | 0.237 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.4 | -15.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | M260 V261 Y428 | M260-G263 WeakPolarHBondContact CE-O 3.39Å; V261-G263 PolarHBondContact O-N 2.86Å; G263-Y428 PolarHBondContact N-OH 3.35Å |
| 264 | Q | 94.9 | Very high | 95.8 | Very high | 64 Ų | 64 | 18.8 Ų | 18.8 | 30% | 0.299 | 11% | 0.107 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 128.4 | 172.6 | -179.7 | 61 | 30.6 | 0 | 0 | 110.6 | M260 V261 Y266 H292 | M260-Q264 CarbonylContact C-O 3.58Å; M260-Q264 VanDerWaalsContact CA-O 3.3Å; M260-Q264 WeakPolarHBondContact CA-O 3.29Å; V261-Q264 PolarHBondContact N-O 3.19Å; V261-Q264 PolarHBondContact O-N 2.92Å; Q264-Y266 HydrophobicContact CB-CE2 4.06Å; Q264-Y266 HydrophobicContact CG-CD2 4.41Å; Q264-Y266 HydrophobicContact CG-CE1 4.42Å; Q264-Y266 HydrophobicContact CG-CE2 3.57Å; Q264-Y266 WeakPolarHBondContact CG-OH 3.21Å; Q264-H292 PolarHBondContact NE2-O 3.44Å |
| 265 | G | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 148 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y259 H292 F293 T294 | Y259-G265 CarbonylContact O-C 3.59Å; G265-H292 CarbonylContact C-O 3.21Å; G265-H292 WeakPolarHBondContact CA-O 3.42Å; G265-H292 PolarHBondContact N-O 3.37Å; G265-F293 VanDerWaalsContact C-CD1 3.43Å; G265-F293 WeakPolarHBondContact O-CA 3.42Å; G265-T294 PolarHBondContact O-N 2.92Å |
| 266 | Y | 98.2 | Very high | 95.4 | Very high | 44 Ų | 44 | 26.8 Ų | 26.8 | 17% | 0.173 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 148.5 | 171.7 | -60 | -88.8 | 0 | 0 | 0 | 110.1 | Y259 V261 Q264 F293 T294 F296 H311 | Y259-Y266 HydrophobicContact CD2-CD2 4.22Å; Y259-Y266 AromaticContact CE2-CD2 3.85Å; Y259-Y266 HydrophobicContact CE2-CD2 3.85Å; Y259-Y266 AromaticContact CE2-CG 3.87Å; Y259-Y266 HydrophobicContact CE2-CG 3.87Å; Y259-Y266 PolarHBondContact N-O 3.39Å; Y259-Y266 PolarHBondContact O-N 3.05Å; V261-Y266 HydrophobicContact CB-CE2 4.1Å; V261-Y266 HydrophobicContact CG2-CD2 4.25Å; V261-Y266 HydrophobicContact CG2-CE2 4.2Å; Q264-Y266 HydrophobicContact CB-CE2 4.06Å; Q264-Y266 HydrophobicContact CG-CD2 4.41Å; Q264-Y266 HydrophobicContact CG-CE1 4.42Å; Q264-Y266 HydrophobicContact CG-CE2 3.57Å; Q264-Y266 WeakPolarHBondContact CG-OH 3.21Å; Y266-F293 VanDerWaalsContact N-CD1 3.3Å; Y266-T294 VanDerWaalsContact CA-O 3.25Å; Y266-T294 WeakPolarHBondContact CA-O 3.41Å; Y266-T294 HydrophobicContact CD1-CG2 4.43Å; Y266-F296 AromaticContact CD1-CE2 3.63Å; Y266-F296 HydrophobicContact CD1-CE2 3.63Å; Y266-F296 AromaticContact CD1-CZ 3.92Å; Y266-F296 HydrophobicContact CD1-CZ 3.92Å; Y266-F296 HydrophobicContact CE1-CE2 4.45Å; Y266-F296 HydrophobicContact CE1-CZ 4.33Å; Y266-F296 HydrophobicContact CG-CE2 4.36Å; Y266-H311 AromaticContact CD1-CE1 3.66Å; Y266-H311 AromaticContact CD2-CE1 3.76Å; Y266-H311 AromaticContact CE1-CE1 3.55Å; Y266-H311 AromaticContact CE2-CE1 3.66Å; Y266-H311 AromaticContact CG-CE1 3.75Å; Y266-H311 AromaticContact CZ-CE1 3.55Å |
| 267 | L | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 125.1 | 176.8 | 179 | 64.9 | 0 | 0 | 0 | 108.6 | M256 I269 F281 T294 V295 F296 A417 V421 | M256-L267 HydrophobicContact CB-CD1 4.12Å; L267-I269 HydrophobicContact CD1-CD1 4.18Å; L267-I269 HydrophobicContact CD2-CD1 3.69Å; L267-I269 HydrophobicContact CD2-CG1 4.42Å; L267-I269 HydrophobicContact CG-CD1 3.68Å; L267-I269 HydrophobicContact CG-CG1 4.27Å; L267-F281 HydrophobicContact CD2-CE1 4.11Å; L267-F281 HydrophobicContact CD2-CZ 4.45Å; L267-T294 PolarHBondContact N-O 3.43Å; L267-V295 HydrophobicContact CB-CG1 4.35Å; L267-V295 HydrophobicContact CB-CG2 4.22Å; L267-V295 HydrophobicContact CD2-CG1 4.35Å; L267-V295 HydrophobicContact CD2-CG2 4.42Å; L267-V295 HydrophobicContact CG-CG1 4.43Å; L267-V295 CarbonylContact O-C 3.52Å; L267-V295 VanDerWaalsContact O-CA 3.31Å; L267-V295 WeakPolarHBondContact O-CA 3.28Å; L267-F296 PolarHBondContact O-N 3.39Å; L267-A417 HydrophobicContact CD2-CB 3.66Å; L267-V421 HydrophobicContact CB-CG1 4.11Å; L267-V421 HydrophobicContact CD1-CG1 4.15Å; L267-V421 HydrophobicContact CD2-CG1 3.96Å; L267-V421 HydrophobicContact CG-CG1 4.32Å |
| 268 | I | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 130.1 | 173.1 | -55.5 | 159.3 | 0 | 0 | 0 | 108 | M256 I257 Y259 F296 E298 L304 R307 F308 | M256-I268 VanDerWaalsContact CA-O 3.26Å; M256-I268 WeakPolarHBondContact CA-O 3.42Å; I257-I268 PolarHBondContact N-O 3.09Å; I257-I268 PolarHBondContact O-N 3.37Å; Y259-I268 HydrophobicContact CE1-CD1 3.63Å; Y259-I268 HydrophobicContact CE1-CG1 3.89Å; I268-F296 CarbonylContact C-O 3.46Å; I268-F296 WeakPolarHBondContact CA-O 3.02Å; I268-F296 HydrophobicContact CG1-CB 4.21Å; I268-F296 HydrophobicContact CG1-CD2 3.79Å; I268-F296 HydrophobicContact CG1-CG 4.47Å; I268-F296 HydrophobicContact CG2-CB 4.39Å; I268-E298 HydrophobicContact CG2-CB 4.34Å; I268-E298 HydrophobicContact CG2-CG 3.69Å; I268-L304 HydrophobicContact CB-CD1 4.49Å; I268-L304 HydrophobicContact CB-CG 4.26Å; I268-L304 HydrophobicContact CG2-CB 3.91Å; I268-L304 HydrophobicContact CG2-CD1 4.07Å; I268-L304 HydrophobicContact CG2-CG 3.62Å; I268-R307 HydrophobicContact CD1-CB 4.17Å; I268-R307 HydrophobicContact CD1-CG 3.69Å; I268-R307 HydrophobicContact CG1-CG 3.87Å; I268-R307 HydrophobicContact CG2-CB 4.32Å; I268-R307 HydrophobicContact CG2-CG 4.22Å; I268-F308 HydrophobicContact CD1-CB 3.65Å; I268-F308 HydrophobicContact CD1-CD2 4.22Å; I268-F308 HydrophobicContact CD1-CG 4.42Å |
| 269 | I | 97.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 134.1 | -175.6 | -59.9 | -60.1 | 0 | 0 | 0 | 109.7 | M256 L267 R271 V274 I278 V295 F296 E298 | M256-I269 HydrophobicContact CB-CD1 4.41Å; M256-I269 HydrophobicContact CE-CD1 3.93Å; M256-I269 HydrophobicContact CG-CD1 3.69Å; M256-I269 HydrophobicContact SD-CD1 3.8Å; L267-I269 HydrophobicContact CD1-CD1 4.18Å; L267-I269 HydrophobicContact CD2-CD1 3.69Å; L267-I269 HydrophobicContact CD2-CG1 4.42Å; L267-I269 HydrophobicContact CG-CD1 3.68Å; L267-I269 HydrophobicContact CG-CG1 4.27Å; I269-R271 HydrophobicContact CG2-CG 4.5Å; I269-V274 HydrophobicContact CG2-CB 3.7Å; I269-V274 HydrophobicContact CG2-CG1 3.97Å; I269-V274 HydrophobicContact CG2-CG2 3.72Å; I269-I278 HydrophobicContact CD1-CG1 4.47Å; I269-I278 HydrophobicContact CG1-CB 4.44Å; I269-I278 HydrophobicContact CG1-CG1 4.38Å; I269-V295 HydrophobicContact CG1-CG1 3.82Å; I269-F296 PolarHBondContact N-O 2.76Å; I269-E298 WeakPolarHBondContact O-CA 3.06Å; I269-E298 PolarHBondContact O-N 3.36Å; I269-E298 VanDerWaalsContact O-O 3.14Å |
| 270 | N | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 101.6 | 168.1 | 177.8 | -3.2 | 0 | 0 | 0 | 109.9 | I254 M255 A272 V273 V274 D300 E301 L304 | I254-N270 WeakPolarHBondContact O-CB 3.23Å; I254-N270 PolarHBondContact O-ND2 2.89Å; M255-N270 WeakPolarHBondContact O-CB 3.38Å; M255-N270 PolarHBondContact O-N 2.92Å; N270-A272 PolarHBondContact O-N 2.83Å; N270-A272 VanDerWaalsContact OD1-CB 3.26Å; N270-A272 WeakPolarHBondContact OD1-CB 3.11Å; N270-A272 PolarHBondContact OD1-N 3.27Å; N270-A272 VanDerWaalsContact OD1-N 3.1Å; N270-V273 PolarHBondContact O-N 3.14Å; N270-V274 PolarHBondContact O-N 3.32Å; N270-D300 VanDerWaalsContact OD1-CA 3.27Å; N270-D300 WeakPolarHBondContact OD1-CA 3.43Å; N270-E301 PolarHBondContact ND2-N 3.02Å; N270-E301 PolarHBondContact OD1-N 3.35Å; N270-L304 HydrophobicContact CB-CD1 3.8Å |
| 271 | R | 96.1 | Very high | 94.7 | Very high | 71 Ų | 71 | 46.3 Ų | 46.3 | 27% | 0.268 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -12.8 | -178.4 | -66.6 | -68.8 | -65.4 | 111.2 | 1.8 | 114.1 | I269 V273 V274 S275 E276 D277 N297 E298 | I269-R271 HydrophobicContact CG2-CG 4.5Å; R271-V273 PolarHBondContact O-N 3.1Å; R271-V274 PolarHBondContact NH1-O 3.5Å; R271-V274 VanDerWaalsContact O-O 3.05Å; R271-S275 PolarHBondContact NH1-O 3.07Å; R271-S275 VanDerWaalsContact NH1-O 3.07Å; R271-S275 PolarHBondContact NH2-O 3.42Å; R271-E276 PolarHBondContact NH1-O 3.5Å; R271-D277 WeakPolarHBondContact CD-OD1 3.46Å; R271-D277 IonicContact CZ-OD1 3.13Å; R271-D277 IonicContact NE-OD1 2.62Å; R271-D277 PolarHBondContact NE-OD1 3.11Å; R271-D277 IonicContact NH2-OD1 3.71Å; R271-N297 HydrophobicContact CG-CB 4.09Å; R271-E298 VanDerWaalsContact CB-O 3.29Å; R271-E298 WeakPolarHBondContact CB-O 3.3Å; R271-E298 VanDerWaalsContact CG-O 3.3Å; R271-E298 WeakPolarHBondContact CG-O 3.48Å; R271-E298 PolarHBondContact N-O 2.91Å |
| 272 | A | 93.1 | Very high | 94.5 | Very high | 73 Ų | 73 | 51.1 Ų | 51.1 | 60% | 0.603 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -18.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | N270 A299 D300 | N270-A272 PolarHBondContact O-N 2.83Å; N270-A272 VanDerWaalsContact OD1-CB 3.26Å; N270-A272 WeakPolarHBondContact OD1-CB 3.11Å; N270-A272 PolarHBondContact OD1-N 3.27Å; N270-A272 VanDerWaalsContact OD1-N 3.1Å; A272-A299 PolarHBondContact N-O 3.16Å; A272-D300 HydrophobicContact CB-CB 4.45Å |
| 273 | V | 92.1 | Very high | 94.6 | Very high | 16 Ų | 16 | 48.2 Ų | 48.2 | 10% | 0.097 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -47.7 | 179.2 | -175.4 | 0 | 0 | 0 | 0 | 112.7 | T240 M255 N270 R271 | T240-V273 HydrophobicContact CG2-CB 4.5Å; T240-V273 HydrophobicContact CG2-CG1 3.77Å; T240-V273 HydrophobicContact CG2-CG2 3.93Å; M255-V273 HydrophobicContact CB-CG1 4.44Å; M255-V273 HydrophobicContact CG-CB 4.2Å; M255-V273 HydrophobicContact CG-CG1 3.73Å; M255-V273 HydrophobicContact CG-CG2 4.38Å; M255-V273 HydrophobicContact SD-CG1 3.59Å; M255-V273 VanDerWaalsContact SD-CG1 3.59Å; N270-V273 PolarHBondContact O-N 3.14Å; R271-V273 PolarHBondContact O-N 3.1Å |
| 274 | V | 94.1 | Very high | 94.7 | Very high | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.018 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -73.1 | 146.1 | 177.6 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | M256 I269 N270 R271 A409 P413 | M256-V274 HydrophobicContact CE-CG1 4.45Å; M256-V274 HydrophobicContact CE-CG2 3.65Å; I269-V274 HydrophobicContact CG2-CB 3.7Å; I269-V274 HydrophobicContact CG2-CG1 3.97Å; I269-V274 HydrophobicContact CG2-CG2 3.72Å; N270-V274 PolarHBondContact O-N 3.32Å; R271-V274 PolarHBondContact NH1-O 3.5Å; R271-V274 VanDerWaalsContact O-O 3.05Å; V274-A409 WeakPolarHBondContact CA-O 3.12Å; V274-A409 HydrophobicContact CG2-CB 4.4Å; V274-P413 HydrophobicContact CG1-CB 3.52Å |
| 275 | S | 90.9 | Very high | 94.4 | Very high | 45 Ų | 45 | 47.9 Ų | 47.9 | 32% | 0.315 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -85.5 | -31.1 | -172.3 | 51.4 | 0 | 0 | 0 | 0 | 115.4 | R271 A409 R410 | R271-S275 PolarHBondContact NH1-O 3.07Å; R271-S275 VanDerWaalsContact NH1-O 3.07Å; R271-S275 PolarHBondContact NH2-O 3.42Å; S275-A409 PolarHBondContact N-O 2.92Å; S275-A409 VanDerWaalsContact N-O 3.08Å; S275-A409 PolarHBondContact OG-O 2.74Å; S275-R410 WeakPolarHBondContact CB-O 3.18Å; S275-R410 VanDerWaalsContact OG-C 3.27Å; S275-R410 WeakPolarHBondContact OG-CA 3.36Å; S275-R410 PolarHBondContact OG-O 3.19Å |
| 276 | E | 91.7 | Very high | 94 | Very high | 122 Ų | 122 | 51 Ų | 51 | 57% | 0.57 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -130.4 | 160.2 | -175.8 | -61.8 | 172.4 | -174 | 0 | 0 | 112.1 | R271 P413 | R271-E276 PolarHBondContact NH1-O 3.5Å; E276-P413 HydrophobicContact CB-CG 4.01Å; E276-P413 HydrophobicContact CG-CG 4.46Å |
| 277 | D | 94.3 | Very high | 93.1 | Very high | 109 Ų | 109 | 54.2 Ų | 54.2 | 58% | 0.583 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 136.1 | 170.7 | -75.2 | -1.6 | 0 | 0 | 0 | 109.2 | R271 N297 | R271-D277 WeakPolarHBondContact CD-OD1 3.46Å; R271-D277 IonicContact CZ-OD1 3.13Å; R271-D277 IonicContact NE-OD1 2.62Å; R271-D277 PolarHBondContact NE-OD1 3.11Å; R271-D277 IonicContact NH2-OD1 3.71Å; D277-N297 HydrophobicContact CB-CB 4.49Å |
| 278 | I | 94.1 | Very high | 92.4 | Very high | 6 Ų | 6 | 59.7 Ų | 59.7 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -98.7 | 127.8 | 176.1 | -60.8 | -55.9 | 0 | 0 | 0 | 109.4 | I269 F281 V295 N297 P413 Q414 A417 | I269-I278 HydrophobicContact CD1-CG1 4.47Å; I269-I278 HydrophobicContact CG1-CB 4.44Å; I269-I278 HydrophobicContact CG1-CG1 4.38Å; I278-F281 HydrophobicContact CG2-CD1 4.34Å; I278-F281 HydrophobicContact CG2-CE1 4.21Å; I278-V295 HydrophobicContact CB-CG1 3.9Å; I278-V295 HydrophobicContact CG2-CG1 3.97Å; I278-V295 HydrophobicContact CG2-CG2 4.12Å; I278-V295 WeakPolarHBondContact O-CG1 3.39Å; I278-N297 PolarHBondContact N-ND2 3.18Å; I278-N297 PolarHBondContact N-OD1 2.87Å; I278-N297 PolarHBondContact O-ND2 3.02Å; I278-P413 HydrophobicContact CD1-CB 3.84Å; I278-P413 HydrophobicContact CD1-CG 4.18Å; I278-Q414 HydrophobicContact CD1-CB 4.37Å; I278-A417 HydrophobicContact CG1-CB 4.26Å; I278-A417 HydrophobicContact CG2-CB 3.93Å |
| 279 | E | 93 | Very high | 92 | Very high | 158 Ų | 158 | 60.5 Ų | 60.5 | 74% | 0.738 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -79.1 | 161.4 | 175.6 | -64 | -173.5 | 174.2 | 0 | 0 | 111.8 | F281 V295 | E279-F281 WeakPolarHBondContact O-CD1 3.36Å; E279-V295 WeakPolarHBondContact O-CG2 2.98Å |
| 280 | N | 96 | Very high | 91.5 | Very high | 102 Ų | 102 | 65.7 Ų | 65.7 | 55% | 0.545 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 137.5 | 173.1 | -66.2 | -9.3 | 0 | 0 | 0 | 110.9 | F293 T294 V295 | N280-F293 WeakPolarHBondContact CA-O 3.47Å; N280-F293 WeakPolarHBondContact CB-O 3.44Å; N280-T294 WeakPolarHBondContact OD1-CA 3.19Å; N280-V295 PolarHBondContact OD1-N 3.44Å |
| 281 | F | 95.5 | Very high | 91.2 | Very high | 35 Ų | 35 | 65.7 Ų | 65.7 | 15% | 0.154 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 170.1 | -177.2 | 69.7 | -81.4 | 0 | 0 | 0 | 112.2 | L267 I278 E279 F293 V295 A417 V421 | L267-F281 HydrophobicContact CD2-CE1 4.11Å; L267-F281 HydrophobicContact CD2-CZ 4.45Å; I278-F281 HydrophobicContact CG2-CD1 4.34Å; I278-F281 HydrophobicContact CG2-CE1 4.21Å; E279-F281 WeakPolarHBondContact O-CD1 3.36Å; F281-F293 HydrophobicContact CD1-CB 4.47Å; F281-F293 HydrophobicContact CE1-CB 4.31Å; F281-F293 PolarHBondContact N-O 2.93Å; F281-F293 PolarHBondContact O-N 2.91Å; F281-V295 HydrophobicContact CD1-CG2 4.06Å; F281-V295 HydrophobicContact CE1-CG2 4.02Å; F281-A417 HydrophobicContact CE1-CB 4.21Å; F281-A417 HydrophobicContact CZ-CB 4.25Å; F281-V421 HydrophobicContact CE1-CG1 4.45Å; F281-V421 HydrophobicContact CE2-CG2 3.59Å; F281-V421 HydrophobicContact CZ-CB 4.29Å; F281-V421 HydrophobicContact CZ-CG1 3.74Å; F281-V421 HydrophobicContact CZ-CG2 3.58Å |
| 282 | E | 91.8 | Very high | 91.1 | Very high | 113 Ų | 113 | 66.1 Ų | 66.1 | 53% | 0.528 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 134 | 176.9 | -177.1 | -176.8 | 163.2 | 0 | 0 | 110.7 | T284 H292 | E282-T284 WeakPolarHBondContact CG-OG1 3.48Å; E282-T284 VanDerWaalsContact OE1-CB 3.28Å; E282-T284 WeakPolarHBondContact OE1-CB 3.38Å; E282-T284 PolarHBondContact OE1-OG1 3.5Å; E282-H292 IonicContact OE1-CE1 2.89Å; E282-H292 IonicContact OE2-CE1 2.76Å; E282-H292 PolarHBondContact OE2-CE1 3.37Å; E282-H292 VanDerWaalsContact OE2-CE1 3.3Å; E282-H292 IonicContact OE2-ND1 2.84Å |
| 283 | Y | 92.5 | Very high | 91.3 | Very high | 29 Ų | 29 | 62.8 Ų | 62.8 | 11% | 0.114 | 32% | 0.319 | C | S | . | . | trans | -125.7 | 90.7 | 169.2 | -178.2 | -101.2 | 0 | 0 | 0 | 110.1 | P285 G291 V398 V421 S422 V425 | Y283-P285 HydrophobicContact CE1-CB 4.49Å; Y283-P285 HydrophobicContact CE1-CG 4.02Å; Y283-P285 WeakPolarHBondContact O-CD 3.37Å; Y283-G291 PolarHBondContact N-O 3.32Å; Y283-G291 WeakPolarHBondContact O-CA 2.86Å; Y283-G291 PolarHBondContact O-N 2.74Å; Y283-V398 HydrophobicContact CE2-CG2 3.59Å; Y283-V398 PolarHBondContact OH-N 3.23Å; Y283-V421 HydrophobicContact CD1-CG2 4.36Å; Y283-V421 HydrophobicContact CG-CG2 4.06Å; Y283-S422 VanDerWaalsContact CE1-CA 3.46Å; Y283-S422 WeakPolarHBondContact OH-CB 3.42Å; Y283-S422 PolarHBondContact OH-OG 3.38Å; Y283-V425 HydrophobicContact CD1-CB 4.24Å; Y283-V425 HydrophobicContact CD1-CG1 4.43Å; Y283-V425 HydrophobicContact CD1-CG2 3.94Å; Y283-V425 HydrophobicContact CE1-CB 4.31Å; Y283-V425 HydrophobicContact CE1-CG1 4.39Å | ||
| 284 | T | 92.3 | Very high | 91.5 | Very high | 43 Ų | 43 | 64.1 Ų | 64.1 | 26% | 0.264 | 33% | 0.327 | S | S | . | . | trans | -116.9 | 88.4 | -179.7 | -61.3 | 0 | 0 | 0 | 0 | 109.8 | E282 K286 E290 G291 | E282-T284 WeakPolarHBondContact CG-OG1 3.48Å; E282-T284 VanDerWaalsContact OE1-CB 3.28Å; E282-T284 WeakPolarHBondContact OE1-CB 3.38Å; E282-T284 PolarHBondContact OE1-OG1 3.5Å; T284-K286 VanDerWaalsContact CG2-O 3.23Å; T284-K286 WeakPolarHBondContact CG2-O 3.37Å; T284-K286 PolarHBondContact O-N 3.41Å; T284-E290 HydrophobicContact CG2-CG 4.3Å; T284-G291 PolarHBondContact OG1-N 2.91Å | ||
| 285 | P | 88.5 | Confident | 91.7 | Very high | 37 Ų | 37 | 64.6 Ų | 64.6 | 24% | 0.24 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -66.1 | -25.4 | -176.4 | 23.3 | -34.2 | 0 | 0 | 0 | 113.7 | Y283 F289 Y395 V425 | Y283-P285 HydrophobicContact CE1-CB 4.49Å; Y283-P285 HydrophobicContact CE1-CG 4.02Å; Y283-P285 WeakPolarHBondContact O-CD 3.37Å; P285-F289 WeakPolarHBondContact CD-O 3.21Å; P285-F289 HydrophobicContact CG-CB 4.22Å; P285-Y395 HydrophobicContact CB-CD1 4.39Å; P285-Y395 HydrophobicContact CB-CD2 3.48Å; P285-Y395 VanDerWaalsContact CB-CD2 3.48Å; P285-Y395 HydrophobicContact CB-CE1 4.49Å; P285-Y395 HydrophobicContact CB-CE2 3.62Å; P285-Y395 HydrophobicContact CB-CG 3.9Å; P285-Y395 HydrophobicContact CG-CD1 4.39Å; P285-Y395 HydrophobicContact CG-CD2 3.96Å; P285-Y395 HydrophobicContact CG-CE1 4.04Å; P285-Y395 HydrophobicContact CG-CE2 3.6Å; P285-Y395 HydrophobicContact CG-CG 4.34Å; P285-V425 HydrophobicContact CG-CG1 4.32Å |
| 286 | K | 88.3 | Confident | 92 | Very high | 66 Ų | 66 | 65.1 Ų | 65.1 | 29% | 0.287 | 33% | 0.327 | S | S | . | . | B | Isolated β-bridge | trans | -147.3 | 155 | 170.7 | -71.8 | -170.8 | 171.7 | 171.6 | 0 | 109.5 | T284 Q288 F289 G394 | T284-K286 VanDerWaalsContact CG2-O 3.23Å; T284-K286 WeakPolarHBondContact CG2-O 3.37Å; T284-K286 PolarHBondContact O-N 3.41Å; K286-Q288 HydrophobicContact CB-CG 4.39Å; K286-Q288 PolarHBondContact O-N 3.42Å; K286-F289 HydrophobicContact CB-CD2 3.86Å; K286-F289 HydrophobicContact CB-CE2 4.46Å; K286-F289 HydrophobicContact CD-CD2 4.31Å; K286-F289 HydrophobicContact CD-CE2 4.16Å; K286-F289 HydrophobicContact CG-CD2 4.36Å; K286-F289 CarbonylContact O-C 3.56Å; K286-F289 WeakPolarHBondContact O-CA 3.22Å; K286-F289 PolarHBondContact O-N 2.96Å; K286-G394 WeakPolarHBondContact CE-O 3.5Å; K286-G394 VanDerWaalsContact NZ-C 3.3Å; K286-G394 PolarHBondContact NZ-O 3.44Å |
| 287 | P | 80.7 | Confident | 92.3 | Very high | 110 Ų | 110 | 61.8 Ų | 61.8 | 71% | 0.714 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -29.9 | 179.4 | -27.5 | 35.1 | 0 | 0 | 0 | 114.8 | F289 | P287-F289 VanDerWaalsContact C-N 3.34Š|
| 288 | Q | 81.7 | Confident | 92.4 | Very high | 116 Ų | 116 | 58.1 Ų | 58.1 | 54% | 0.542 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -3.4 | 176.6 | 64.3 | -97.5 | 30.5 | 0 | 0 | 115.3 | K286 | K286-Q288 HydrophobicContact CB-CG 4.39Å; K286-Q288 PolarHBondContact O-N 3.42Å |
| 289 | F | 90 | Very high | 92.5 | Very high | 17 Ų | 17 | 61.3 Ų | 61.3 | 8% | 0.075 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -127.8 | 63.5 | -176.3 | -55.4 | -42.2 | 0 | 0 | 0 | 109.7 | P285 K286 P287 L393 Y395 Y429 | P285-F289 WeakPolarHBondContact CD-O 3.21Å; P285-F289 HydrophobicContact CG-CB 4.22Å; K286-F289 HydrophobicContact CB-CD2 3.86Å; K286-F289 HydrophobicContact CB-CE2 4.46Å; K286-F289 HydrophobicContact CD-CD2 4.31Å; K286-F289 HydrophobicContact CD-CE2 4.16Å; K286-F289 HydrophobicContact CG-CD2 4.36Å; K286-F289 CarbonylContact O-C 3.56Å; K286-F289 WeakPolarHBondContact O-CA 3.22Å; K286-F289 PolarHBondContact O-N 2.96Å; P287-F289 VanDerWaalsContact C-N 3.34Å; F289-L393 HydrophobicContact CE1-CD2 4.26Å; F289-L393 HydrophobicContact CE2-CB 3.91Å; F289-L393 WeakPolarHBondContact CE2-O 3.34Å; F289-L393 HydrophobicContact CZ-CB 4.01Å; F289-L393 HydrophobicContact CZ-CD2 3.96Å; F289-L393 HydrophobicContact CZ-CG 4.46Å; F289-Y395 AromaticContact CD2-CD1 3.6Å; F289-Y395 HydrophobicContact CD2-CD1 3.6Å; F289-Y395 AromaticContact CD2-CE1 3.51Å; F289-Y395 HydrophobicContact CD2-CE1 3.51Å; F289-Y395 AromaticContact CE2-CD1 3.72Å; F289-Y395 HydrophobicContact CE2-CD1 3.72Å; F289-Y395 AromaticContact CE2-CE1 3.84Å; F289-Y395 HydrophobicContact CE2-CE1 3.84Å; F289-Y395 HydrophobicContact CG-CE1 4.31Å; F289-Y429 HydrophobicContact CB-CD2 3.84Å; F289-Y429 HydrophobicContact CB-CE2 3.75Å; F289-Y429 HydrophobicContact CB-CG 4.36Å; F289-Y429 AromaticContact CD1-CD1 3.58Å; F289-Y429 HydrophobicContact CD1-CD1 3.58Å; F289-Y429 AromaticContact CD1-CD2 3.93Å; F289-Y429 HydrophobicContact CD1-CD2 3.93Å; F289-Y429 AromaticContact CD1-CE1 3.99Å; F289-Y429 HydrophobicContact CD1-CE1 3.99Å; F289-Y429 HydrophobicContact CD1-CE2 4.32Å; F289-Y429 AromaticContact CD1-CG 3.55Å; F289-Y429 HydrophobicContact CD1-CG 3.55Å; F289-Y429 HydrophobicContact CE1-CD1 4.17Å; F289-Y429 HydrophobicContact CE1-CG 4.22Å; F289-Y429 HydrophobicContact CG-CD2 4.17Å; F289-Y429 HydrophobicContact CG-CE2 4.46Å; F289-Y429 HydrophobicContact CG-CG 4.22Å |
| 290 | E | 88.7 | Confident | 92.7 | Very high | 109 Ų | 109 | 57.1 Ų | 57.1 | 51% | 0.509 | 30% | 0.302 | S | S | . | . | trans | -65.8 | 145.1 | 179.7 | -65.2 | 174.1 | 179.4 | 0 | 0 | 111.7 | T284 Y429 | T284-E290 HydrophobicContact CG2-CG 4.3Å; E290-Y429 PolarHBondContact N-OH 3.38Å; E290-Y429 VanDerWaalsContact N-OH 3.16Å; E290-Y429 PolarHBondContact O-OH 3.13Å | ||
| 291 | G | 90.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -152.4 | 79.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y283 T284 F293 | Y283-G291 PolarHBondContact N-O 3.32Å; Y283-G291 WeakPolarHBondContact O-CA 2.86Å; Y283-G291 PolarHBondContact O-N 2.74Å; T284-G291 PolarHBondContact OG1-N 2.91Å; G291-F293 WeakPolarHBondContact O-CD2 3.37Å; G291-F293 WeakPolarHBondContact O-CE2 3.48Å | ||
| 292 | H | 92.9 | Very high | 92.8 | Very high | 79 Ų | 79 | 54.8 Ų | 54.8 | 37% | 0.366 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 125.5 | 171.4 | -59.5 | -73.3 | 0 | 0 | 0 | 109.4 | Q264 G265 E282 | Q264-H292 PolarHBondContact NE2-O 3.44Å; G265-H292 CarbonylContact C-O 3.21Å; G265-H292 WeakPolarHBondContact CA-O 3.42Å; G265-H292 PolarHBondContact N-O 3.37Å; E282-H292 IonicContact OE1-CE1 2.89Å; E282-H292 IonicContact OE2-CE1 2.76Å; E282-H292 PolarHBondContact OE2-CE1 3.37Å; E282-H292 VanDerWaalsContact OE2-CE1 3.3Å; E282-H292 IonicContact OE2-ND1 2.84Å |
| 293 | F | 97.1 | Very high | 93.1 | Very high | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 121.9 | -174.4 | -77.7 | -92.3 | 0 | 0 | 0 | 112.5 | M260 G265 Y266 N280 F281 G291 V421 V425 | M260-F293 HydrophobicContact CG-CZ 4.23Å; G265-F293 VanDerWaalsContact C-CD1 3.43Å; G265-F293 WeakPolarHBondContact O-CA 3.42Å; Y266-F293 VanDerWaalsContact N-CD1 3.3Å; N280-F293 WeakPolarHBondContact CA-O 3.47Å; N280-F293 WeakPolarHBondContact CB-O 3.44Å; F281-F293 HydrophobicContact CD1-CB 4.47Å; F281-F293 HydrophobicContact CE1-CB 4.31Å; F281-F293 PolarHBondContact N-O 2.93Å; F281-F293 PolarHBondContact O-N 2.91Å; G291-F293 WeakPolarHBondContact O-CD2 3.37Å; G291-F293 WeakPolarHBondContact O-CE2 3.48Å; F293-V421 HydrophobicContact CD1-CB 3.84Å; F293-V421 HydrophobicContact CD1-CG1 3.34Å; F293-V421 HydrophobicContact CD2-CB 4Å; F293-V421 HydrophobicContact CD2-CG1 4.16Å; F293-V421 HydrophobicContact CD2-CG2 4.18Å; F293-V421 HydrophobicContact CE1-CB 3.56Å; F293-V421 HydrophobicContact CE1-CG1 3.49Å; F293-V421 VanDerWaalsContact CE1-CG1 3.49Å; F293-V421 HydrophobicContact CE2-CB 3.73Å; F293-V421 HydrophobicContact CE2-CG1 4.3Å; F293-V421 HydrophobicContact CE2-CG2 4.11Å; F293-V421 HydrophobicContact CG-CB 4.09Å; F293-V421 HydrophobicContact CG-CG1 3.74Å; F293-V421 HydrophobicContact CZ-CB 3.53Å; F293-V421 HydrophobicContact CZ-CG1 4.01Å; F293-V421 HydrophobicContact CZ-CG2 4.39Å; F293-V425 HydrophobicContact CE2-CG2 3.7Å; F293-V425 HydrophobicContact CZ-CG2 3.64Å |
| 294 | T | 97.2 | Very high | 93.3 | Very high | 43 Ų | 43 | 49.4 Ų | 49.4 | 26% | 0.264 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 127.3 | 165.3 | -59.3 | 0 | 0 | 0 | 0 | 109.1 | G265 Y266 L267 N280 F296 | G265-T294 PolarHBondContact O-N 2.92Å; Y266-T294 VanDerWaalsContact CA-O 3.25Å; Y266-T294 WeakPolarHBondContact CA-O 3.41Å; Y266-T294 HydrophobicContact CD1-CG2 4.43Å; L267-T294 PolarHBondContact N-O 3.43Å; N280-T294 WeakPolarHBondContact OD1-CA 3.19Å; T294-F296 HydrophobicContact CG2-CE1 4.18Å; T294-F296 HydrophobicContact CG2-CZ 4.11Å |
| 295 | V | 97.5 | Very high | 93.6 | Very high | 14 Ų | 14 | 47.4 Ų | 47.4 | 9% | 0.085 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 133.9 | -171.6 | -171.9 | 0 | 0 | 0 | 0 | 110.7 | L267 I269 I278 E279 N280 F281 | L267-V295 HydrophobicContact CB-CG1 4.35Å; L267-V295 HydrophobicContact CB-CG2 4.22Å; L267-V295 HydrophobicContact CD2-CG1 4.35Å; L267-V295 HydrophobicContact CD2-CG2 4.42Å; L267-V295 HydrophobicContact CG-CG1 4.43Å; L267-V295 CarbonylContact O-C 3.52Å; L267-V295 VanDerWaalsContact O-CA 3.31Å; L267-V295 WeakPolarHBondContact O-CA 3.28Å; I269-V295 HydrophobicContact CG1-CG1 3.82Å; I278-V295 HydrophobicContact CB-CG1 3.9Å; I278-V295 HydrophobicContact CG2-CG1 3.97Å; I278-V295 HydrophobicContact CG2-CG2 4.12Å; I278-V295 WeakPolarHBondContact O-CG1 3.39Å; E279-V295 WeakPolarHBondContact O-CG2 2.98Å; N280-V295 PolarHBondContact OD1-N 3.44Å; F281-V295 HydrophobicContact CD1-CG2 4.06Å; F281-V295 HydrophobicContact CE1-CG2 4.02Å |
| 296 | F | 97.5 | Very high | 94 | Very high | 56 Ų | 56 | 46.6 Ų | 46.6 | 25% | 0.246 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 110.8 | 176.4 | -55.2 | -67.5 | 0 | 0 | 0 | 109.3 | Y266 L267 I268 I269 T294 E298 R307 | Y266-F296 AromaticContact CD1-CE2 3.63Å; Y266-F296 HydrophobicContact CD1-CE2 3.63Å; Y266-F296 AromaticContact CD1-CZ 3.92Å; Y266-F296 HydrophobicContact CD1-CZ 3.92Å; Y266-F296 HydrophobicContact CE1-CE2 4.45Å; Y266-F296 HydrophobicContact CE1-CZ 4.33Å; Y266-F296 HydrophobicContact CG-CE2 4.36Å; L267-F296 PolarHBondContact O-N 3.39Å; I268-F296 CarbonylContact C-O 3.46Å; I268-F296 WeakPolarHBondContact CA-O 3.02Å; I268-F296 HydrophobicContact CG1-CB 4.21Å; I268-F296 HydrophobicContact CG1-CD2 3.79Å; I268-F296 HydrophobicContact CG1-CG 4.47Å; I268-F296 HydrophobicContact CG2-CB 4.39Å; I269-F296 PolarHBondContact N-O 2.76Å; T294-F296 HydrophobicContact CG2-CE1 4.18Å; T294-F296 HydrophobicContact CG2-CZ 4.11Å; F296-E298 PolarHBondContact O-N 3.16Å; F296-R307 HydrophobicContact CB-CG 4.31Å; F296-R307 HydrophobicContact CD2-CG 4.3Å; F296-R307 HydrophobicContact CG-CG 4.31Å |
| 297 | N | 97.3 | Very high | 94.4 | Very high | 52 Ų | 52 | 48 Ų | 48 | 28% | 0.278 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 95.5 | 177.2 | -65.5 | -70.1 | 0 | 0 | 0 | 109.5 | R271 D277 I278 | R271-N297 HydrophobicContact CG-CB 4.09Å; D277-N297 HydrophobicContact CB-CB 4.49Å; I278-N297 PolarHBondContact N-ND2 3.18Å; I278-N297 PolarHBondContact N-OD1 2.87Å; I278-N297 PolarHBondContact O-ND2 3.02Å |
| 298 | E | 98.1 | Very high | 95.2 | Very high | 32 Ų | 32 | 42.7 Ų | 42.7 | 15% | 0.15 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 147.5 | -178.2 | -64.3 | -65.7 | 168 | 0 | 0 | 110.9 | I268 I269 R271 F296 D300 A303 L304 R307 | I268-E298 HydrophobicContact CG2-CB 4.34Å; I268-E298 HydrophobicContact CG2-CG 3.69Å; I269-E298 WeakPolarHBondContact O-CA 3.06Å; I269-E298 PolarHBondContact O-N 3.36Å; I269-E298 VanDerWaalsContact O-O 3.14Å; R271-E298 VanDerWaalsContact CB-O 3.29Å; R271-E298 WeakPolarHBondContact CB-O 3.3Å; R271-E298 VanDerWaalsContact CG-O 3.3Å; R271-E298 WeakPolarHBondContact CG-O 3.48Å; R271-E298 PolarHBondContact N-O 2.91Å; F296-E298 PolarHBondContact O-N 3.16Å; E298-D300 PolarHBondContact O-N 2.87Å; E298-A303 HydrophobicContact CB-CB 3.92Å; E298-L304 HydrophobicContact CB-CB 4.36Å; E298-R307 HydrophobicContact CG-CB 4.01Å; E298-R307 HydrophobicContact CG-CG 4.36Å; E298-R307 IonicContact OE1-CZ 3.76Å; E298-R307 VanDerWaalsContact OE1-CZ 3.29Å; E298-R307 IonicContact OE1-NE 3.48Å; E298-R307 PolarHBondContact OE1-NE 3.39Å; E298-R307 IonicContact OE1-NH2 3.51Å; E298-R307 PolarHBondContact OE1-NH2 3.49Å |
| 299 | A | 95.8 | Very high | 96 | Very high | 72 Ų | 72 | 37.6 Ų | 37.6 | 60% | 0.595 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -65.3 | -38.4 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114 | A272 | A272-A299 PolarHBondContact N-O 3.16Š|
| 300 | D | 96.2 | Very high | 96.2 | Very high | 71 Ų | 71 | 41.5 Ų | 41.5 | 38% | 0.38 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -148.9 | -178.9 | -176.2 | 61.4 | 28.5 | 0 | 0 | 0 | 112.3 | N270 A272 E298 L302 A303 L304 | N270-D300 VanDerWaalsContact OD1-CA 3.27Å; N270-D300 WeakPolarHBondContact OD1-CA 3.43Å; A272-D300 HydrophobicContact CB-CB 4.45Å; E298-D300 PolarHBondContact O-N 2.87Å; D300-L302 VanDerWaalsContact C-N 3.32Å; D300-L302 PolarHBondContact O-N 2.96Å; D300-L302 PolarHBondContact OD1-N 3.49Å; D300-L302 VanDerWaalsContact OD1-N 3.15Å; D300-A303 PolarHBondContact O-N 2.82Å; D300-A303 WeakPolarHBondContact OD1-CB 3.23Å; D300-A303 PolarHBondContact OD1-N 3.35Å; D300-L304 WeakPolarHBondContact O-CB 3.45Å; D300-L304 PolarHBondContact O-N 2.82Å |
| 301 | E | 97 | Very high | 96.6 | Very high | 9 Ų | 9 | 38.2 Ų | 38.2 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.1 | -34.5 | -179.9 | -171 | -177.1 | -158.4 | 0 | 0 | 112.6 | N253 I254 N270 L304 L305 R336 L340 | N253-E301 WeakPolarHBondContact CA-OE1 3.43Å; N253-E301 PolarHBondContact OD1-OE2 3.48Å; I254-E301 HydrophobicContact CB-CG 4.3Å; I254-E301 PolarHBondContact N-OE1 3.31Å; N270-E301 PolarHBondContact ND2-N 3.02Å; N270-E301 PolarHBondContact OD1-N 3.35Å; E301-L304 PolarHBondContact O-N 3.44Å; E301-L305 HydrophobicContact CG-CD1 4.45Å; E301-L305 PolarHBondContact O-N 3.5Å; E301-R336 WeakPolarHBondContact OE1-CG 3.19Å; E301-R336 IonicContact OE1-CZ 3.31Å; E301-R336 IonicContact OE1-NE 2.64Å; E301-R336 PolarHBondContact OE1-NE 2.75Å; E301-R336 IonicContact OE1-NH2 2.81Å; E301-R336 IonicContact OE2-CZ 2.87Å; E301-R336 IonicContact OE2-NE 2.67Å; E301-R336 PolarHBondContact OE2-NE 2.94Å; E301-R336 IonicContact OE2-NH2 3.24Å; E301-R336 PolarHBondContact OE2-NH2 2.72Å; E301-L340 HydrophobicContact CB-CD1 4.24Å; E301-L340 HydrophobicContact CG-CD1 3.9Å |
| 302 | L | 97.1 | Very high | 96.8 | Very high | 78 Ų | 78 | 38.2 Ų | 38.2 | 41% | 0.408 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.9 | -45.8 | 179.4 | 174.9 | 66 | 0 | 0 | 0 | 110.5 | D300 L304 L305 G306 L340 L342 | D300-L302 VanDerWaalsContact C-N 3.32Å; D300-L302 PolarHBondContact O-N 2.96Å; D300-L302 PolarHBondContact OD1-N 3.49Å; D300-L302 VanDerWaalsContact OD1-N 3.15Å; L302-L304 VanDerWaalsContact C-N 3.34Å; L302-L305 PolarHBondContact O-N 3.21Å; L302-G306 PolarHBondContact O-N 2.87Å; L302-L340 HydrophobicContact CB-CD1 4.45Å; L302-L340 HydrophobicContact CD1-CB 4.1Å; L302-L342 HydrophobicContact CD1-CD1 4.03Å; L302-L342 HydrophobicContact CD1-CD2 4.43Å; L302-L342 HydrophobicContact CD1-CG 4.18Å |
| 303 | A | 97.6 | Very high | 96.9 | Very high | 30 Ų | 30 | 36.6 Ų | 36.6 | 25% | 0.248 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.5 | -39.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E298 D300 G306 R307 | E298-A303 HydrophobicContact CB-CB 3.92Å; D300-A303 PolarHBondContact O-N 2.82Å; D300-A303 WeakPolarHBondContact OD1-CB 3.23Å; D300-A303 PolarHBondContact OD1-N 3.35Å; A303-G306 PolarHBondContact O-N 3.31Å; A303-R307 WeakPolarHBondContact O-CB 2.98Å; A303-R307 PolarHBondContact O-N 3.4Å |
| 304 | L | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.7 | -49.5 | 174.7 | 169.2 | 154.8 | 0 | 0 | 0 | 112.3 | I254 I257 I268 N270 E298 D300 E301 L302 R307 F308 | I254-L304 HydrophobicContact CB-CD2 4.28Å; I254-L304 HydrophobicContact CG2-CD1 4.37Å; I254-L304 HydrophobicContact CG2-CD2 3.87Å; I257-L304 HydrophobicContact CD1-CD2 3.43Å; I257-L304 VanDerWaalsContact CD1-CD2 3.43Å; I257-L304 HydrophobicContact CD1-CG 4.38Å; I257-L304 HydrophobicContact CG1-CD2 3.78Å; I257-L304 HydrophobicContact CG1-CG 4.43Å; I268-L304 HydrophobicContact CB-CD1 4.49Å; I268-L304 HydrophobicContact CB-CG 4.26Å; I268-L304 HydrophobicContact CG2-CB 3.91Å; I268-L304 HydrophobicContact CG2-CD1 4.07Å; I268-L304 HydrophobicContact CG2-CG 3.62Å; N270-L304 HydrophobicContact CB-CD1 3.8Å; E298-L304 HydrophobicContact CB-CB 4.36Å; D300-L304 WeakPolarHBondContact O-CB 3.45Å; D300-L304 PolarHBondContact O-N 2.82Å; E301-L304 PolarHBondContact O-N 3.44Å; L302-L304 VanDerWaalsContact C-N 3.34Å; L304-R307 PolarHBondContact O-N 3.41Å; L304-F308 WeakPolarHBondContact O-CB 3.18Å; L304-F308 PolarHBondContact O-N 3.47Å |
| 305 | L | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.4 | -39.2 | 178.5 | -77.1 | 174.3 | 0 | 0 | 0 | 111.5 | I254 I257 E301 L302 F308 F309 I333 R336 A337 L340 L342 | I254-L305 HydrophobicContact CD1-CD1 4.44Å; I254-L305 HydrophobicContact CD1-CD2 3.86Å; I254-L305 HydrophobicContact CD1-CG 4.39Å; I257-L305 HydrophobicContact CD1-CD2 4.17Å; E301-L305 HydrophobicContact CG-CD1 4.45Å; E301-L305 PolarHBondContact O-N 3.5Å; L302-L305 PolarHBondContact O-N 3.21Å; L305-F308 PolarHBondContact O-N 3.08Å; L305-F309 HydrophobicContact CD2-CE1 4.33Å; L305-F309 HydrophobicContact CD2-CZ 4.39Å; L305-F309 WeakPolarHBondContact O-CB 3.38Å; L305-F309 WeakPolarHBondContact O-CD1 3.44Å; L305-F309 VanDerWaalsContact O-CG 3.24Å; L305-F309 WeakPolarHBondContact O-CG 3.45Å; L305-F309 PolarHBondContact O-N 2.92Å; L305-I333 HydrophobicContact CD2-CG2 4.22Å; L305-R336 HydrophobicContact CD1-CB 4.29Å; L305-A337 HydrophobicContact CD1-CB 4.44Å; L305-L340 HydrophobicContact CD1-CD1 3.91Å; L305-L342 HydrophobicContact CB-CD1 3.81Å; L305-L342 HydrophobicContact CD1-CD1 4.45Å |
| 306 | G | 96.7 | Very high | 96.3 | Very high | 21 Ų | 21 | 39.1 Ų | 39.1 | 22% | 0.216 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.7 | -51.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L302 A303 F308 F309 D310 | L302-G306 PolarHBondContact O-N 2.87Å; A303-G306 PolarHBondContact O-N 3.31Å; G306-F308 VanDerWaalsContact C-N 3.34Å; G306-F308 PolarHBondContact O-N 2.87Å; G306-F309 PolarHBondContact O-N 2.88Å; G306-D310 WeakPolarHBondContact O-CB 3.42Å; G306-D310 VanDerWaalsContact O-CG 3.27Å; G306-D310 PolarHBondContact O-N 3.25Å |
| 307 | R | 97.5 | Very high | 96.2 | Very high | 94 Ų | 94 | 36.5 Ų | 36.5 | 36% | 0.355 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.5 | -45.8 | 176 | 175.8 | 61.3 | 63.4 | -143 | -10.2 | 112.1 | I268 F296 E298 A303 L304 D310 H311 | I268-R307 HydrophobicContact CD1-CB 4.17Å; I268-R307 HydrophobicContact CD1-CG 3.69Å; I268-R307 HydrophobicContact CG1-CG 3.87Å; I268-R307 HydrophobicContact CG2-CB 4.32Å; I268-R307 HydrophobicContact CG2-CG 4.22Å; F296-R307 HydrophobicContact CB-CG 4.31Å; F296-R307 HydrophobicContact CD2-CG 4.3Å; F296-R307 HydrophobicContact CG-CG 4.31Å; E298-R307 HydrophobicContact CG-CB 4.01Å; E298-R307 HydrophobicContact CG-CG 4.36Å; E298-R307 IonicContact OE1-CZ 3.76Å; E298-R307 VanDerWaalsContact OE1-CZ 3.29Å; E298-R307 IonicContact OE1-NE 3.48Å; E298-R307 PolarHBondContact OE1-NE 3.39Å; E298-R307 IonicContact OE1-NH2 3.51Å; E298-R307 PolarHBondContact OE1-NH2 3.49Å; A303-R307 WeakPolarHBondContact O-CB 2.98Å; A303-R307 PolarHBondContact O-N 3.4Å; L304-R307 PolarHBondContact O-N 3.41Å; R307-D310 PolarHBondContact O-N 3.31Å; R307-H311 WeakPolarHBondContact O-CB 3.34Å; R307-H311 PolarHBondContact O-N 2.91Å |
| 308 | F | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.3 | -46.9 | 178.9 | -179.7 | -121.2 | 0 | 0 | 0 | 110.6 | F235 I257 Y259 I268 L304 L305 G306 H311 F312 I333 | F235-F308 HydrophobicContact CB-CZ 4.48Å; F235-F308 HydrophobicContact CD1-CZ 4.32Å; F235-F308 HydrophobicContact CD2-CZ 4.26Å; F235-F308 HydrophobicContact CG-CZ 4.11Å; I257-F308 HydrophobicContact CD1-CB 4.01Å; I257-F308 HydrophobicContact CD1-CD1 3.97Å; I257-F308 HydrophobicContact CD1-CD2 4.48Å; I257-F308 HydrophobicContact CD1-CG 3.9Å; I257-F308 HydrophobicContact CG2-CD2 3.8Å; I257-F308 HydrophobicContact CG2-CE2 3.81Å; I257-F308 HydrophobicContact CG2-CG 4.26Å; I257-F308 HydrophobicContact CG2-CZ 4.27Å; Y259-F308 HydrophobicContact CD1-CD2 4.2Å; Y259-F308 HydrophobicContact CD1-CE2 4.16Å; Y259-F308 HydrophobicContact CE1-CD2 4.07Å; Y259-F308 HydrophobicContact CE1-CE2 4.45Å; Y259-F308 HydrophobicContact CG-CE2 4.26Å; I268-F308 HydrophobicContact CD1-CB 3.65Å; I268-F308 HydrophobicContact CD1-CD2 4.22Å; I268-F308 HydrophobicContact CD1-CG 4.42Å; L304-F308 WeakPolarHBondContact O-CB 3.18Å; L304-F308 PolarHBondContact O-N 3.47Å; L305-F308 PolarHBondContact O-N 3.08Å; G306-F308 VanDerWaalsContact C-N 3.34Å; G306-F308 PolarHBondContact O-N 2.87Å; F308-H311 PolarHBondContact O-N 3.07Å; F308-F312 HydrophobicContact CE1-CD2 4.46Å; F308-F312 HydrophobicContact CE2-CD2 4.36Å; F308-F312 AromaticContact CZ-CD2 3.98Å; F308-F312 HydrophobicContact CZ-CD2 3.98Å; F308-F312 WeakPolarHBondContact O-CB 3.43Å; F308-F312 PolarHBondContact O-N 3.14Å; F308-I333 HydrophobicContact CE1-CD1 4.31Å |
| 309 | F | 97.1 | Very high | 96 | Very high | 8 Ų | 8 | 32.6 Ų | 32.6 | 4% | 0.035 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.1 | -38.9 | -179.3 | -67.9 | -2.2 | 0 | 0 | 0 | 112.7 | L305 G306 Q313 I333 A337 L342 L344 A347 L348 | L305-F309 HydrophobicContact CD2-CE1 4.33Å; L305-F309 HydrophobicContact CD2-CZ 4.39Å; L305-F309 WeakPolarHBondContact O-CB 3.38Å; L305-F309 WeakPolarHBondContact O-CD1 3.44Å; L305-F309 VanDerWaalsContact O-CG 3.24Å; L305-F309 WeakPolarHBondContact O-CG 3.45Å; L305-F309 PolarHBondContact O-N 2.92Å; G306-F309 PolarHBondContact O-N 2.88Å; F309-Q313 WeakPolarHBondContact O-CB 3.23Å; F309-Q313 VanDerWaalsContact O-CG 3.24Å; F309-Q313 WeakPolarHBondContact O-CG 3.3Å; F309-Q313 PolarHBondContact O-N 3.13Å; F309-Q313 PolarHBondContact O-NE2 3.36Å; F309-Q313 VanDerWaalsContact O-NE2 3.14Å; F309-I333 HydrophobicContact CE1-CG2 4.08Å; F309-I333 HydrophobicContact CZ-CG2 4.11Å; F309-A337 HydrophobicContact CE2-CB 4.28Å; F309-A337 HydrophobicContact CZ-CB 4.06Å; F309-L342 HydrophobicContact CD2-CD1 4.32Å; F309-L342 HydrophobicContact CE2-CB 4.07Å; F309-L342 HydrophobicContact CE2-CD1 4Å; F309-L344 HydrophobicContact CE1-CD1 3.95Å; F309-L344 HydrophobicContact CZ-CD1 3.72Å; F309-A347 HydrophobicContact CB-CB 4.42Å; F309-A347 HydrophobicContact CD2-CB 3.7Å; F309-A347 HydrophobicContact CE2-CB 4.17Å; F309-A347 HydrophobicContact CG-CB 4.15Å; F309-L348 HydrophobicContact CB-CD2 4.11Å; F309-L348 HydrophobicContact CD1-CD1 3.71Å; F309-L348 HydrophobicContact CD1-CD2 4.05Å; F309-L348 HydrophobicContact CD1-CG 4.06Å; F309-L348 HydrophobicContact CE1-CD1 3.79Å; F309-L348 HydrophobicContact CE1-CG 4.35Å; F309-L348 HydrophobicContact CG-CD2 4.15Å; F309-L348 HydrophobicContact CG-CG 4.42Å |
| 310 | D | 95.9 | Very high | 96.1 | Very high | 99 Ų | 99 | 29.2 Ų | 29.2 | 53% | 0.529 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -65.4 | -47.3 | 176.9 | -73.9 | -13.9 | 0 | 0 | 0 | 111.1 | G306 R307 Q313 G314 | G306-D310 WeakPolarHBondContact O-CB 3.42Å; G306-D310 VanDerWaalsContact O-CG 3.27Å; G306-D310 PolarHBondContact O-N 3.25Å; R307-D310 PolarHBondContact O-N 3.31Å; D310-Q313 PolarHBondContact O-N 2.92Å; D310-G314 PolarHBondContact O-N 2.89Å |
| 311 | H | 96.2 | Very high | 96.1 | Very high | 41 Ų | 41 | 25.8 Ų | 25.8 | 19% | 0.19 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70 | -38.8 | -179.7 | -169.8 | -154.1 | 0 | 0 | 0 | 111.9 | Y259 Y266 R307 F308 Q313 G314 V315 | Y259-H311 AromaticContact CE2-CE1 3.84Å; Y259-H311 AromaticContact CE2-ND1 3.36Å; Y259-H311 WeakPolarHBondContact CE2-ND1 3.44Å; Y259-H311 AromaticContact CZ-ND1 3.5Å; Y259-H311 PolarHBondContact OH-ND1 3.19Å; Y266-H311 AromaticContact CD1-CE1 3.66Å; Y266-H311 AromaticContact CD2-CE1 3.76Å; Y266-H311 AromaticContact CE1-CE1 3.55Å; Y266-H311 AromaticContact CE2-CE1 3.66Å; Y266-H311 AromaticContact CG-CE1 3.75Å; Y266-H311 AromaticContact CZ-CE1 3.55Å; R307-H311 WeakPolarHBondContact O-CB 3.34Å; R307-H311 PolarHBondContact O-N 2.91Å; F308-H311 PolarHBondContact O-N 3.07Å; H311-Q313 VanDerWaalsContact C-N 3.29Å; H311-Q313 PolarHBondContact O-N 3.34Å; H311-G314 PolarHBondContact O-N 3.18Å; H311-G314 VanDerWaalsContact O-N 3.15Å; H311-V315 WeakPolarHBondContact O-CB 3.19Å; H311-V315 WeakPolarHBondContact O-CG2 3.26Å; H311-V315 PolarHBondContact O-N 3.33Å |
| 312 | F | 95.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57 | -44.4 | 172.8 | -169.3 | -69.3 | 0 | 0 | 0 | 111.1 | F19 L233 F308 A316 P317 V320 L348 F350 | F19-F312 HydrophobicContact CE1-CD1 4.09Å; F19-F312 AromaticContact CE1-CE1 3.58Å; F19-F312 HydrophobicContact CE1-CE1 3.58Å; F19-F312 AromaticContact CZ-CD1 3.76Å; F19-F312 HydrophobicContact CZ-CD1 3.76Å; F19-F312 AromaticContact CZ-CE1 3.5Å; F19-F312 HydrophobicContact CZ-CE1 3.5Å; F19-F312 VanDerWaalsContact CZ-CE1 3.5Å; L233-F312 HydrophobicContact CD1-CD2 3.61Å; L233-F312 HydrophobicContact CD1-CE2 4.03Å; L233-F312 HydrophobicContact CD1-CG 4.23Å; L233-F312 HydrophobicContact CD2-CD2 4.18Å; L233-F312 HydrophobicContact CD2-CE2 4.02Å; F308-F312 HydrophobicContact CE1-CD2 4.46Å; F308-F312 HydrophobicContact CE2-CD2 4.36Å; F308-F312 AromaticContact CZ-CD2 3.98Å; F308-F312 HydrophobicContact CZ-CD2 3.98Å; F308-F312 WeakPolarHBondContact O-CB 3.43Å; F308-F312 PolarHBondContact O-N 3.14Å; F312-A316 PolarHBondContact O-N 2.87Å; F312-P317 HydrophobicContact CD1-CG 3.96Å; F312-P317 HydrophobicContact CD2-CG 4.44Å; F312-P317 HydrophobicContact CE1-CG 3.47Å; F312-P317 VanDerWaalsContact CE1-CG 3.47Å; F312-P317 HydrophobicContact CE2-CG 4.01Å; F312-P317 HydrophobicContact CG-CG 4.41Å; F312-P317 HydrophobicContact CZ-CG 3.49Å; F312-P317 VanDerWaalsContact CZ-CG 3.49Å; F312-P317 WeakPolarHBondContact O-CD 3.3Å; F312-V320 HydrophobicContact CE2-CG2 3.52Å; F312-V320 HydrophobicContact CZ-CG2 3.31Å; F312-L348 HydrophobicContact CB-CD2 4.01Å; F312-L348 HydrophobicContact CD1-CD1 4.45Å; F312-L348 HydrophobicContact CD1-CD2 3.7Å; F312-L348 HydrophobicContact CD1-CG 4.44Å; F312-L348 HydrophobicContact CD2-CD1 4.28Å; F312-L348 HydrophobicContact CE1-CB 4.32Å; F312-L348 HydrophobicContact CE1-CD2 4.34Å; F312-L348 HydrophobicContact CE2-CD1 4.45Å; F312-L348 HydrophobicContact CG-CD1 4.29Å; F312-L348 HydrophobicContact CG-CD2 3.9Å; F312-F350 HydrophobicContact CE1-CE2 4.42Å; F312-F350 HydrophobicContact CZ-CD2 4.47Å; F312-F350 AromaticContact CZ-CE2 3.86Å; F312-F350 HydrophobicContact CZ-CE2 3.86Å |
| 313 | Q | 93.7 | Very high | 96.1 | Very high | 45 Ų | 45 | 22.6 Ų | 22.6 | 21% | 0.21 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.4 | -40.7 | 175.5 | -75.3 | 173 | 68.4 | 0 | 0 | 112.1 | R18 F309 D310 H311 A316 L348 | R18-Q313 VanDerWaalsContact CD-OE1 3.3Å; F309-Q313 WeakPolarHBondContact O-CB 3.23Å; F309-Q313 VanDerWaalsContact O-CG 3.24Å; F309-Q313 WeakPolarHBondContact O-CG 3.3Å; F309-Q313 PolarHBondContact O-N 3.13Å; F309-Q313 PolarHBondContact O-NE2 3.36Å; F309-Q313 VanDerWaalsContact O-NE2 3.14Å; D310-Q313 PolarHBondContact O-N 2.92Å; H311-Q313 VanDerWaalsContact C-N 3.29Å; H311-Q313 PolarHBondContact O-N 3.34Å; Q313-A316 PolarHBondContact O-N 3.49Å; Q313-L348 HydrophobicContact CG-CD2 4.37Å |
| 314 | G | 92.6 | Very high | 95.8 | Very high | 69 Ų | 69 | 24 Ų | 24 | 71% | 0.711 | 14% | 0.141 | S | C | * | . | H | α-helix | trans | -65 | -36.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D310 H311 | D310-G314 PolarHBondContact O-N 2.89Å; H311-G314 PolarHBondContact O-N 3.18Å; H311-G314 VanDerWaalsContact O-N 3.15Å |
| 315 | V | 92.6 | Very high | 95.6 | Very high | 30 Ų | 30 | 24 Ų | 24 | 18% | 0.182 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -75.3 | -30.5 | 176.3 | 167.1 | 0 | 0 | 0 | 0 | 112.2 | V261 H311 P317 | V261-V315 HydrophobicContact CB-CG1 4.33Å; V261-V315 HydrophobicContact CG1-CB 4.29Å; V261-V315 HydrophobicContact CG1-CG1 3.31Å; V261-V315 HydrophobicContact CG1-CG2 3.94Å; V261-V315 HydrophobicContact CG2-CG1 4.07Å; V261-V315 HydrophobicContact CG2-CG2 4.1Å; H311-V315 WeakPolarHBondContact O-CB 3.19Å; H311-V315 WeakPolarHBondContact O-CG2 3.26Å; H311-V315 PolarHBondContact O-N 3.33Å; V315-P317 HydrophobicContact CG1-CB 4.49Å |
| 316 | A | 93.9 | Very high | 95.3 | Very high | 15 Ų | 15 | 24.3 Ų | 24.3 | 12% | 0.124 | 14% | 0.143 | C | C | . | . | trans | 47.1 | 61.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F19 K64 F312 Q313 | F19-A316 HydrophobicContact CB-CB 4.5Å; F19-A316 HydrophobicContact CD1-CB 4.23Å; F19-A316 HydrophobicContact CG-CB 4.44Å; K64-A316 PolarHBondContact NZ-O 2.9Å; F312-A316 PolarHBondContact O-N 2.87Å; Q313-A316 PolarHBondContact O-N 3.49Å | ||
| 317 | P | 95.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -63.8 | 141.9 | -176.9 | 27.9 | -35.4 | 0 | 0 | 0 | 111.7 | F19 L233 F312 V315 V320 C363 | F19-P317 HydrophobicContact CE1-CG 4.29Å; L233-P317 HydrophobicContact CB-CB 3.7Å; L233-P317 HydrophobicContact CB-CG 4Å; L233-P317 HydrophobicContact CD1-CG 4.27Å; F312-P317 HydrophobicContact CD1-CG 3.96Å; F312-P317 HydrophobicContact CD2-CG 4.44Å; F312-P317 HydrophobicContact CE1-CG 3.47Å; F312-P317 VanDerWaalsContact CE1-CG 3.47Å; F312-P317 HydrophobicContact CE2-CG 4.01Å; F312-P317 HydrophobicContact CG-CG 4.41Å; F312-P317 HydrophobicContact CZ-CG 3.49Å; F312-P317 VanDerWaalsContact CZ-CG 3.49Å; F312-P317 WeakPolarHBondContact O-CD 3.3Å; V315-P317 HydrophobicContact CG1-CB 4.49Å; P317-V320 HydrophobicContact CG-CG2 4.22Å; P317-C363 PolarHBondContact O-SG 3.18Å | ||
| 318 | D | 94.8 | Very high | 94.7 | Very high | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -85.1 | -27.8 | 173.8 | -56.3 | -50.7 | 0 | 0 | 0 | 111.3 | Y21 I35 I58 K64 P230 S231 C363 S364 | Y21-D318 PolarHBondContact OH-OD1 3.07Å; I35-D318 HydrophobicContact CD1-CB 3.74Å; I58-D318 HydrophobicContact CD1-CB 4.23Å; K64-D318 WeakPolarHBondContact CD-OD1 3.44Å; K64-D318 WeakPolarHBondContact CE-OD1 3.08Å; K64-D318 WeakPolarHBondContact CE-OD2 3.25Å; K64-D318 IonicContact NZ-OD1 3.01Å; K64-D318 PolarHBondContact NZ-OD1 2.94Å; K64-D318 IonicContact NZ-OD2 3.45Å; K64-D318 PolarHBondContact NZ-OD2 3.45Å; P230-D318 HydrophobicContact CB-CB 3.98Å; S231-D318 PolarHBondContact N-OD2 2.96Å; S231-D318 PolarHBondContact O-N 3.25Å; D318-C363 CarbonylContact O-C 3.54Å; D318-C363 WeakPolarHBondContact O-CA 3.49Å; D318-S364 PolarHBondContact O-N 3.4Å |
| 319 | I | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 128.9 | 178.7 | -64.1 | 153 | 0 | 0 | 0 | 109 | I35 P230 S231 I232 L233 V321 S364 M366 Y431 F440 | I35-I319 HydrophobicContact CD1-CD1 4.1Å; I35-I319 HydrophobicContact CD1-CG1 4.19Å; P230-I319 HydrophobicContact CB-CD1 3.99Å; P230-I319 HydrophobicContact CG-CD1 3.68Å; S231-I319 PolarHBondContact O-N 3.42Å; I232-I319 WeakPolarHBondContact CA-O 3.42Å; I232-I319 HydrophobicContact CG1-CB 4.24Å; I232-I319 HydrophobicContact CG1-CD1 4.29Å; L233-I319 PolarHBondContact N-O 3.43Å; I319-V321 HydrophobicContact CG2-CG2 4Å; I319-S364 WeakPolarHBondContact CA-O 3.4Å; I319-M366 HydrophobicContact CG2-CB 4.2Å; I319-M366 HydrophobicContact CG2-CG 3.59Å; I319-Y431 WeakPolarHBondContact CD1-OH 3.11Å; I319-Y431 HydrophobicContact CG2-CE1 4.13Å; I319-Y431 HydrophobicContact CG2-CE2 4.43Å; I319-F440 HydrophobicContact CD1-CE2 3.87Å; I319-F440 HydrophobicContact CD1-CZ 4.07Å |
| 320 | V | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 139.5 | 165.6 | 173.6 | 0 | 0 | 0 | 0 | 110.2 | L233 F235 F312 P317 T322 W330 F350 S364 M366 | L233-V320 CarbonylContact O-C 3.55Å; L233-V320 VanDerWaalsContact O-CA 3.23Å; L233-V320 WeakPolarHBondContact O-CA 3.27Å; F235-V320 HydrophobicContact CD1-CG1 3.83Å; F235-V320 HydrophobicContact CE1-CG1 3.62Å; F312-V320 HydrophobicContact CE2-CG2 3.52Å; F312-V320 HydrophobicContact CZ-CG2 3.31Å; P317-V320 HydrophobicContact CG-CG2 4.22Å; V320-T322 HydrophobicContact CG1-CG2 4.38Å; V320-W330 HydrophobicContact CB-CZ2 4.46Å; V320-W330 HydrophobicContact CG1-CZ2 3.79Å; V320-F350 HydrophobicContact CB-CZ 4.16Å; V320-F350 HydrophobicContact CG2-CE2 4.02Å; V320-F350 HydrophobicContact CG2-CZ 3.97Å; V320-S364 PolarHBondContact N-O 3.21Å; V320-M366 PolarHBondContact O-N 3.34Å |
| 321 | V | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 133.7 | -179.4 | -172.3 | 0 | 0 | 0 | 0 | 108.9 | I232 L233 A234 F235 I319 M366 V368 T427 Y431 | I232-V321 HydrophobicContact CG2-CG2 3.8Å; L233-V321 PolarHBondContact O-N 3.29Å; A234-V321 VanDerWaalsContact CA-O 3.29Å; A234-V321 WeakPolarHBondContact CA-O 3.37Å; A234-V321 HydrophobicContact CB-CB 3.82Å; A234-V321 HydrophobicContact CB-CG1 4.38Å; F235-V321 PolarHBondContact N-O 3.41Å; I319-V321 HydrophobicContact CG2-CG2 4Å; V321-M366 WeakPolarHBondContact CA-O 3.15Å; V321-M366 HydrophobicContact CG2-CB 4.37Å; V321-V368 HydrophobicContact CG1-CG2 3.42Å; V321-V368 VanDerWaalsContact CG1-CG2 3.42Å; V321-T427 HydrophobicContact CG1-CG2 3.74Å; V321-Y431 HydrophobicContact CB-CG 4.29Å; V321-Y431 HydrophobicContact CG1-CD1 4.5Å; V321-Y431 HydrophobicContact CG1-CD2 3.98Å; V321-Y431 HydrophobicContact CG1-CG 3.75Å; V321-Y431 HydrophobicContact CG2-CD1 3.47Å; V321-Y431 VanDerWaalsContact CG2-CD1 3.47Å; V321-Y431 HydrophobicContact CG2-CD2 3.82Å; V321-Y431 HydrophobicContact CG2-CE1 3.8Å; V321-Y431 HydrophobicContact CG2-CE2 4.18Å; V321-Y431 HydrophobicContact CG2-CG 3.49Å; V321-Y431 VanDerWaalsContact CG2-CG 3.49Å |
| 322 | T | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 167.1 | 171.5 | 62.4 | 0 | 0 | 0 | 0 | 109 | F235 V320 G325 H365 M366 V368 | F235-T322 HydrophobicContact CD1-CG2 3.88Å; F235-T322 HydrophobicContact CE1-CG2 3.35Å; F235-T322 HydrophobicContact CE2-CG2 4.4Å; F235-T322 HydrophobicContact CZ-CG2 3.65Å; V320-T322 HydrophobicContact CG1-CG2 4.38Å; T322-G325 VanDerWaalsContact OG1-CA 3.32Å; T322-G325 WeakPolarHBondContact OG1-CA 3.29Å; T322-G325 PolarHBondContact OG1-N 3Å; T322-H365 PolarHBondContact OG1-NE2 3.03Å; T322-M366 PolarHBondContact N-O 3.09Å; T322-V368 PolarHBondContact O-N 3.41Å |
| 323 | Y | 95.5 | Very high | 94.6 | Very high | 20 Ų | 20 | 19.8 Ų | 19.8 | 8% | 0.078 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -114.7 | 104.4 | 166.8 | -162.8 | -79.9 | 0 | 0 | 0 | 109.2 | G325 V368 Y369 V372 H383 N384 L385 L430 | Y323-G325 VanDerWaalsContact C-N 3.31Å; Y323-V368 HydrophobicContact CD2-CB 3.93Å; Y323-V368 HydrophobicContact CD2-CG1 3.81Å; Y323-V368 HydrophobicContact CE2-CG1 3.97Å; Y323-Y369 AromaticContact CE1-CD2 3.92Å; Y323-Y369 HydrophobicContact CE1-CD2 3.92Å; Y323-V372 HydrophobicContact CE2-CG2 4.08Å; Y323-H383 PolarHBondContact OH-O 2.96Å; Y323-N384 PolarHBondContact OH-O 3.45Å; Y323-L385 HydrophobicContact CD1-CB 3.91Å; Y323-L385 HydrophobicContact CD2-CB 4.33Å; Y323-L385 HydrophobicContact CD2-CD1 3.58Å; Y323-L385 HydrophobicContact CD2-CG 4.45Å; Y323-L385 HydrophobicContact CE1-CB 3.99Å; Y323-L385 HydrophobicContact CE2-CB 4.36Å; Y323-L385 HydrophobicContact CE2-CD1 3.89Å; Y323-L385 HydrophobicContact CG-CB 4.07Å; Y323-L385 HydrophobicContact CG-CD1 3.95Å; Y323-L385 HydrophobicContact CG-CD2 4.43Å; Y323-L385 HydrophobicContact CG-CG 4.38Å; Y323-L430 HydrophobicContact CD2-CD1 4.39Å; Y323-L430 HydrophobicContact CE2-CD1 4.15Å |
| 324 | N | 92.6 | Very high | 94.7 | Very high | 59 Ų | 59 | 19.7 Ų | 19.7 | 32% | 0.316 | 13% | 0.131 | S | C | . | . | S | Bend | trans | 69.3 | 23.7 | -173.7 | -169.6 | 59.6 | 0 | 0 | 0 | 114.1 | D326 A327 F328 D367 Y369 | N324-D326 PolarHBondContact O-N 3.29Å; N324-A327 PolarHBondContact O-N 3.05Å; N324-A327 VanDerWaalsContact O-N 3.1Å; N324-F328 PolarHBondContact O-N 2.95Å; N324-F328 VanDerWaalsContact O-N 3.16Å; N324-D367 WeakPolarHBondContact CA-OD1 3.29Å; N324-D367 PolarHBondContact N-OD1 3.08Å; N324-Y369 HydrophobicContact CB-CD1 4.38Å; N324-Y369 HydrophobicContact CB-CG 4.26Å |
| 325 | G | 93.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -19.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | T322 Y323 A327 D329 W330 P331 | T322-G325 VanDerWaalsContact OG1-CA 3.32Å; T322-G325 WeakPolarHBondContact OG1-CA 3.29Å; T322-G325 PolarHBondContact OG1-N 3Å; Y323-G325 VanDerWaalsContact C-N 3.31Å; G325-A327 PolarHBondContact O-N 3.47Å; G325-D329 WeakPolarHBondContact CA-OD2 3.48Å; G325-D329 PolarHBondContact N-OD2 2.96Å; G325-W330 WeakPolarHBondContact O-CB 3.45Å; G325-W330 PolarHBondContact O-N 2.78Å; G325-P331 WeakPolarHBondContact O-CD 3.44Å |
| 326 | D | 91.6 | Very high | 95 | Very high | 6 Ų | 6 | 17.7 Ų | 17.7 | 3% | 0.032 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -27.7 | 169.7 | -85.1 | -28.2 | 0 | 0 | 0 | 111.7 | N324 Y358 H365 R370 R455 | N324-D326 PolarHBondContact O-N 3.29Å; D326-Y358 PolarHBondContact OD1-N 3.01Å; D326-H365 IonicContact OD1-CE1 3.92Å; D326-H365 PolarHBondContact OD1-CE1 2.76Å; D326-H365 VanDerWaalsContact OD1-CE1 3.23Å; D326-H365 IonicContact OD1-ND1 2.72Å; D326-H365 PolarHBondContact OD1-ND1 3.49Å; D326-R370 IonicContact OD2-NE 2.8Å; D326-R370 IonicContact OD2-NH2 3.94Å; D326-R455 IonicContact OD1-NH2 4Å; D326-R455 PolarHBondContact OD1-NH2 2.83Å; D326-R455 IonicContact OD2-CZ 3.52Å; D326-R455 IonicContact OD2-NE 3.42Å; D326-R455 PolarHBondContact OD2-NE 2.8Å; D326-R455 VanDerWaalsContact OD2-NE 3.09Å; D326-R455 IonicContact OD2-NH2 3.16Å; D326-R455 PolarHBondContact OD2-NH2 2.95Å |
| 327 | A | 88.3 | Confident | 95.1 | Very high | 64 Ų | 64 | 17 Ų | 17 | 53% | 0.529 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -23.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114 | N324 G325 | N324-A327 PolarHBondContact O-N 3.05Å; N324-A327 VanDerWaalsContact O-N 3.1Å; G325-A327 PolarHBondContact O-N 3.47Å |
| 328 | F | 92.2 | Very high | 95.1 | Very high | 65 Ų | 65 | 20.5 Ų | 20.5 | 29% | 0.285 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.8 | -71.2 | -176.4 | -173.6 | -109.3 | 0 | 0 | 0 | 112.8 | I237 P247 N324 W330 P331 F332 | I237-F328 HydrophobicContact CD1-CE1 4.4Å; I237-F328 HydrophobicContact CG1-CE1 4.12Å; P247-F328 HydrophobicContact CB-CE2 4.34Å; P247-F328 HydrophobicContact CB-CZ 4.28Å; P247-F328 HydrophobicContact CG-CE2 4.31Å; P247-F328 HydrophobicContact CG-CZ 4.05Å; N324-F328 PolarHBondContact O-N 2.95Å; N324-F328 VanDerWaalsContact O-N 3.16Å; F328-W330 PolarHBondContact O-N 2.78Å; F328-P331 VanDerWaalsContact O-CD 3.25Å; F328-P331 WeakPolarHBondContact O-CD 3.21Å; F328-F332 HydrophobicContact CE2-CD2 4.04Å; F328-F332 HydrophobicContact CZ-CD2 4.27Å; F328-F332 WeakPolarHBondContact O-CB 3.38Å; F328-F332 PolarHBondContact O-N 2.89Å |
| 329 | D | 95.8 | Very high | 95 | Very high | 3 Ų | 3 | 23.8 Ų | 23.8 | 2% | 0.016 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.2 | -53.1 | -167.4 | -48.2 | -59.4 | 0 | 0 | 0 | 113.4 | F235 I237 G325 F332 I333 | F235-D329 HydrophobicContact CE2-CB 3.88Å; F235-D329 HydrophobicContact CZ-CB 4.19Å; I237-D329 HydrophobicContact CD1-CB 4.32Å; I237-D329 HydrophobicContact CG1-CB 4.4Å; G325-D329 WeakPolarHBondContact CA-OD2 3.48Å; G325-D329 PolarHBondContact N-OD2 2.96Å; D329-F332 PolarHBondContact O-N 3.24Å; D329-I333 WeakPolarHBondContact O-CB 3.46Å; D329-I333 WeakPolarHBondContact O-CG1 3.27Å; D329-I333 PolarHBondContact O-N 3.04Å |
| 330 | W | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.5 | -49.1 | -179.7 | -73.2 | 117 | 0 | 0 | 0 | 113.2 | F235 V320 G325 F328 F332 I333 D334 L344 L348 F350 Y358 H365 | F235-W330 HydrophobicContact CE1-CH2 4.21Å; F235-W330 AromaticContact CE1-CZ2 3.84Å; F235-W330 HydrophobicContact CE1-CZ2 3.84Å; F235-W330 HydrophobicContact CZ-CD2 4.18Å; F235-W330 HydrophobicContact CZ-CE3 4.43Å; F235-W330 HydrophobicContact CZ-CH2 4.41Å; F235-W330 HydrophobicContact CZ-CZ2 4.18Å; V320-W330 HydrophobicContact CB-CZ2 4.46Å; V320-W330 HydrophobicContact CG1-CZ2 3.79Å; G325-W330 WeakPolarHBondContact O-CB 3.45Å; G325-W330 PolarHBondContact O-N 2.78Å; F328-W330 PolarHBondContact O-N 2.78Å; W330-F332 PolarHBondContact O-N 2.79Å; W330-I333 PolarHBondContact O-N 2.93Å; W330-D334 VanDerWaalsContact O-CB 3.3Å; W330-D334 WeakPolarHBondContact O-CB 3.45Å; W330-D334 PolarHBondContact O-N 3.22Å; W330-L344 HydrophobicContact CE3-CD1 4.45Å; W330-L344 HydrophobicContact CE3-CD2 3.94Å; W330-L344 HydrophobicContact CZ3-CD1 4.06Å; W330-L344 HydrophobicContact CZ3-CD2 4.26Å; W330-L348 HydrophobicContact CH2-CD1 4.44Å; W330-L348 HydrophobicContact CZ3-CD1 4.25Å; W330-F350 HydrophobicContact CE3-CB 4.42Å; W330-F350 HydrophobicContact CH2-CB 4.04Å; W330-F350 HydrophobicContact CH2-CD1 4.23Å; W330-F350 AromaticContact CH2-CD2 3.42Å; W330-F350 HydrophobicContact CH2-CD2 3.42Å; W330-F350 VanDerWaalsContact CH2-CD2 3.42Å; W330-F350 AromaticContact CH2-CE2 3.91Å; W330-F350 HydrophobicContact CH2-CE2 3.91Å; W330-F350 AromaticContact CH2-CG 3.59Å; W330-F350 HydrophobicContact CH2-CG 3.59Å; W330-F350 HydrophobicContact CZ2-CB 4.45Å; W330-F350 AromaticContact CZ2-CD1 3.91Å; W330-F350 HydrophobicContact CZ2-CD1 3.91Å; W330-F350 AromaticContact CZ2-CD2 3.83Å; W330-F350 HydrophobicContact CZ2-CD2 3.83Å; W330-F350 HydrophobicContact CZ2-CE1 4.15Å; W330-F350 HydrophobicContact CZ2-CE2 4.04Å; W330-F350 AromaticContact CZ2-CG 3.75Å; W330-F350 HydrophobicContact CZ2-CG 3.75Å; W330-F350 HydrophobicContact CZ2-CZ 4.18Å; W330-F350 HydrophobicContact CZ3-CB 4.03Å; W330-F350 HydrophobicContact CZ3-CD2 4.17Å; W330-F350 HydrophobicContact CZ3-CG 4.11Å; W330-Y358 HydrophobicContact CB-CD1 3.72Å; W330-Y358 HydrophobicContact CB-CD2 3.39Å; W330-Y358 HydrophobicContact CB-CE1 4.08Å; W330-Y358 HydrophobicContact CB-CE2 3.78Å; W330-Y358 HydrophobicContact CB-CG 3.35Å; W330-Y358 HydrophobicContact CD2-CG 4.47Å; W330-Y358 HydrophobicContact CG-CD1 4.19Å; W330-Y358 HydrophobicContact CG-CD2 4.19Å; W330-Y358 AromaticContact CG-CG 3.77Å; W330-Y358 HydrophobicContact CG-CG 3.77Å; W330-H365 AromaticContact CD1-CE1 3.34Å; W330-H365 AromaticContact CD1-ND1 3.94Å; W330-H365 AromaticContact CD1-NE2 3.61Å; W330-H365 AromaticContact NE1-CD2 3.53Å; W330-H365 AromaticContact NE1-CE1 3.24Å; W330-H365 PolarHBondContact NE1-CE1 2.9Å; W330-H365 AromaticContact NE1-CG 3.82Å; W330-H365 AromaticContact NE1-ND1 3.63Å; W330-H365 AromaticContact NE1-NE2 3.15Å; W330-H365 PolarHBondContact NE1-NE2 3.08Å; W330-H365 VanDerWaalsContact NE1-NE2 3.15Å |
| 331 | P | 94.7 | Very high | 94.8 | Very high | 32 Ų | 32 | 30 Ų | 30 | 21% | 0.208 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -52.1 | -39.9 | 171.9 | -23.9 | 27.2 | 0 | 0 | 0 | 114.4 | G325 F328 A335 Y358 | G325-P331 WeakPolarHBondContact O-CD 3.44Å; F328-P331 VanDerWaalsContact O-CD 3.25Å; F328-P331 WeakPolarHBondContact O-CD 3.21Å; P331-A335 WeakPolarHBondContact O-CB 3.45Å; P331-A335 PolarHBondContact O-N 3.21Å; P331-A335 VanDerWaalsContact O-N 3.13Å; P331-Y358 WeakPolarHBondContact CA-OH 3.28Å; P331-Y358 HydrophobicContact CB-CE2 4.39Å; P331-Y358 VanDerWaalsContact CD-CE2 3.49Å; P331-Y358 HydrophobicContact CG-CE2 3.73Å |
| 332 | F | 96.6 | Very high | 94.6 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.8 | -49.4 | -178.3 | -153.1 | -77.1 | 0 | 0 | 0 | 110.9 | I237 C239 P247 P249 D252 I254 F328 D329 W330 D334 A335 R336 | I237-F332 HydrophobicContact CD1-CB 3.87Å; I237-F332 HydrophobicContact CD1-CD1 4.3Å; I237-F332 HydrophobicContact CD1-CG 4.28Å; C239-F332 HydrophobicContact CB-CE1 4.07Å; C239-F332 HydrophobicContact CB-CE2 4.44Å; C239-F332 HydrophobicContact CB-CZ 3.89Å; C239-F332 VanDerWaalsContact SG-CE1 3.51Å; P247-F332 HydrophobicContact CB-CD2 4.48Å; P247-F332 HydrophobicContact CB-CE2 3.58Å; P247-F332 HydrophobicContact CB-CZ 4.04Å; P249-F332 HydrophobicContact CB-CD1 4.27Å; P249-F332 HydrophobicContact CB-CD2 3.72Å; P249-F332 HydrophobicContact CB-CE1 4.3Å; P249-F332 HydrophobicContact CB-CE2 3.74Å; P249-F332 HydrophobicContact CB-CG 4Å; P249-F332 HydrophobicContact CB-CZ 4.05Å; P249-F332 HydrophobicContact CG-CD2 4.14Å; P249-F332 HydrophobicContact CG-CE2 4.24Å; D252-F332 HydrophobicContact CB-CZ 4Å; I254-F332 HydrophobicContact CD1-CD1 4.35Å; I254-F332 HydrophobicContact CG1-CD1 3.91Å; I254-F332 HydrophobicContact CG1-CE1 4Å; F328-F332 HydrophobicContact CE2-CD2 4.04Å; F328-F332 HydrophobicContact CZ-CD2 4.27Å; F328-F332 WeakPolarHBondContact O-CB 3.38Å; F328-F332 PolarHBondContact O-N 2.89Å; D329-F332 PolarHBondContact O-N 3.24Å; W330-F332 PolarHBondContact O-N 2.79Å; F332-D334 VanDerWaalsContact C-N 3.34Å; F332-D334 PolarHBondContact O-N 2.86Å; F332-A335 PolarHBondContact O-N 3.03Å; F332-R336 HydrophobicContact CD1-CG 3.65Å; F332-R336 HydrophobicContact CE1-CG 3.56Å; F332-R336 WeakPolarHBondContact O-CG 3.13Å; F332-R336 PolarHBondContact O-N 3.19Å |
| 333 | I | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.6 | -45.9 | 175.1 | -69.9 | 171.4 | 0 | 0 | 0 | 111 | F235 I237 I254 L305 F308 F309 D329 W330 A335 R336 A337 L344 | F235-I333 HydrophobicContact CD2-CD1 4.42Å; F235-I333 HydrophobicContact CE2-CD1 3.5Å; F235-I333 VanDerWaalsContact CE2-CD1 3.5Å; F235-I333 HydrophobicContact CZ-CD1 3.97Å; I237-I333 HydrophobicContact CD1-CG1 4.15Å; I237-I333 HydrophobicContact CG2-CD1 3.93Å; I237-I333 HydrophobicContact CG2-CG1 4.33Å; I254-I333 HydrophobicContact CD1-CG1 4.03Å; L305-I333 HydrophobicContact CD2-CG2 4.22Å; F308-I333 HydrophobicContact CE1-CD1 4.31Å; F309-I333 HydrophobicContact CE1-CG2 4.08Å; F309-I333 HydrophobicContact CZ-CG2 4.11Å; D329-I333 WeakPolarHBondContact O-CB 3.46Å; D329-I333 WeakPolarHBondContact O-CG1 3.27Å; D329-I333 PolarHBondContact O-N 3.04Å; W330-I333 PolarHBondContact O-N 2.93Å; I333-A335 PolarHBondContact O-N 2.95Å; I333-R336 PolarHBondContact O-N 3.38Å; I333-A337 WeakPolarHBondContact O-CB 3.36Å; I333-A337 PolarHBondContact O-N 2.76Å; I333-L344 HydrophobicContact CG2-CD1 3.83Å |
| 334 | D | 96.1 | Very high | 94.3 | Very high | 43 Ų | 43 | 35.6 Ų | 35.6 | 23% | 0.23 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.3 | -44.2 | -178.4 | -165.6 | 18 | 0 | 0 | 0 | 111.6 | W330 F332 S338 L344 Y358 | W330-D334 VanDerWaalsContact O-CB 3.3Å; W330-D334 WeakPolarHBondContact O-CB 3.45Å; W330-D334 PolarHBondContact O-N 3.22Å; F332-D334 VanDerWaalsContact C-N 3.34Å; F332-D334 PolarHBondContact O-N 2.86Å; D334-S338 VanDerWaalsContact O-CB 3.23Å; D334-S338 WeakPolarHBondContact O-CB 3.45Å; D334-S338 PolarHBondContact O-N 2.84Å; D334-S338 PolarHBondContact O-OG 3.03Å; D334-L344 HydrophobicContact CB-CD2 3.67Å; D334-Y358 HydrophobicContact CB-CE1 4.04Å; D334-Y358 PolarHBondContact OD2-OH 2.96Å; D334-Y358 VanDerWaalsContact OD2-OH 3.13Å |
| 335 | A | 95.8 | Very high | 94.4 | Very high | 38 Ų | 38 | 34.2 Ų | 34.2 | 31% | 0.314 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -67.2 | -44 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | P249 P331 F332 I333 S338 A339 | P249-A335 HydrophobicContact CB-CB 3.7Å; P249-A335 HydrophobicContact CG-CB 4.25Å; P331-A335 WeakPolarHBondContact O-CB 3.45Å; P331-A335 PolarHBondContact O-N 3.21Å; P331-A335 VanDerWaalsContact O-N 3.13Å; F332-A335 PolarHBondContact O-N 3.03Å; I333-A335 PolarHBondContact O-N 2.95Å; A335-S338 PolarHBondContact O-N 3.19Å; A335-A339 WeakPolarHBondContact O-CB 3.44Å; A335-A339 PolarHBondContact O-N 3.2Å |
| 336 | R | 96.6 | Very high | 94.3 | Very high | 19 Ų | 19 | 35.5 Ų | 35.5 | 7% | 0.072 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69 | -44.1 | 177.9 | -66.3 | -50.1 | -60 | 174.3 | -5.3 | 112.6 | P249 D252 N253 I254 E301 L305 F332 I333 S338 A339 L340 | P249-R336 WeakPolarHBondContact O-CD 3.14Å; P249-R336 PolarHBondContact O-NH1 3.01Å; D252-R336 VanDerWaalsContact O-CD 3.24Å; D252-R336 WeakPolarHBondContact O-CD 3.31Å; D252-R336 PolarHBondContact O-NE 2.59Å; N253-R336 PolarHBondContact OD1-NH2 3.05Å; I254-R336 HydrophobicContact CD1-CB 4.17Å; I254-R336 HydrophobicContact CD1-CG 4.23Å; I254-R336 HydrophobicContact CG1-CG 4.28Å; E301-R336 WeakPolarHBondContact OE1-CG 3.19Å; E301-R336 IonicContact OE1-CZ 3.31Å; E301-R336 IonicContact OE1-NE 2.64Å; E301-R336 PolarHBondContact OE1-NE 2.75Å; E301-R336 IonicContact OE1-NH2 2.81Å; E301-R336 IonicContact OE2-CZ 2.87Å; E301-R336 IonicContact OE2-NE 2.67Å; E301-R336 PolarHBondContact OE2-NE 2.94Å; E301-R336 IonicContact OE2-NH2 3.24Å; E301-R336 PolarHBondContact OE2-NH2 2.72Å; L305-R336 HydrophobicContact CD1-CB 4.29Å; F332-R336 HydrophobicContact CD1-CG 3.65Å; F332-R336 HydrophobicContact CE1-CG 3.56Å; F332-R336 WeakPolarHBondContact O-CG 3.13Å; F332-R336 PolarHBondContact O-N 3.19Å; I333-R336 PolarHBondContact O-N 3.38Å; R336-S338 VanDerWaalsContact C-N 3.32Å; R336-S338 PolarHBondContact O-N 3.19Å; R336-A339 PolarHBondContact O-N 3.13Å; R336-L340 WeakPolarHBondContact O-CB 3.32Å; R336-L340 WeakPolarHBondContact O-CG 3.28Å; R336-L340 PolarHBondContact O-N 3.08Å |
| 337 | A | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.5 | -50.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | L305 F309 I333 A339 L340 G341 L342 | L305-A337 HydrophobicContact CD1-CB 4.44Å; F309-A337 HydrophobicContact CE2-CB 4.28Å; F309-A337 HydrophobicContact CZ-CB 4.06Å; I333-A337 WeakPolarHBondContact O-CB 3.36Å; I333-A337 PolarHBondContact O-N 2.76Å; A337-A339 PolarHBondContact O-N 3.11Å; A337-L340 CarbonylContact O-C 3.57Å; A337-L340 PolarHBondContact O-N 3.12Å; A337-L340 VanDerWaalsContact O-N 3.1Å; A337-G341 PolarHBondContact O-N 2.95Å; A337-L342 CarbonylContact C-O 3.53Å; A337-L342 HydrophobicContact CB-CB 3.93Å; A337-L342 WeakPolarHBondContact O-CA 3.4Å; A337-L342 PolarHBondContact O-N 3.29Å; A337-L342 VanDerWaalsContact O-O 3.12Å |
| 338 | S | 94.7 | Very high | 94.7 | Very high | 74 Ų | 74 | 32.9 Ų | 32.9 | 52% | 0.517 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.1 | -42.7 | 178 | -65.1 | 0 | 0 | 0 | 0 | 112.6 | D334 A335 R336 L340 G341 L342 | D334-S338 VanDerWaalsContact O-CB 3.23Å; D334-S338 WeakPolarHBondContact O-CB 3.45Å; D334-S338 PolarHBondContact O-N 2.84Å; D334-S338 PolarHBondContact O-OG 3.03Å; A335-S338 PolarHBondContact O-N 3.19Å; R336-S338 VanDerWaalsContact C-N 3.32Å; R336-S338 PolarHBondContact O-N 3.19Å; S338-L340 PolarHBondContact O-N 2.96Å; S338-G341 PolarHBondContact O-N 3.31Å; S338-L342 PolarHBondContact N-O 3.13Å |
| 339 | A | 93.6 | Very high | 94.7 | Very high | 73 Ų | 73 | 29.9 Ų | 29.9 | 60% | 0.603 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -63.9 | -29.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A335 R336 A337 | A335-A339 WeakPolarHBondContact O-CB 3.44Å; A335-A339 PolarHBondContact O-N 3.2Å; R336-A339 PolarHBondContact O-N 3.13Å; A337-A339 PolarHBondContact O-N 3.11Å |
| 340 | L | 94.7 | Very high | 94.7 | Very high | 59 Ų | 59 | 29.8 Ų | 29.8 | 31% | 0.309 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 6.5 | 178 | -67 | 170.1 | 0 | 0 | 0 | 113.5 | E301 L302 L305 R336 A337 S338 | E301-L340 HydrophobicContact CB-CD1 4.24Å; E301-L340 HydrophobicContact CG-CD1 3.9Å; L302-L340 HydrophobicContact CB-CD1 4.45Å; L302-L340 HydrophobicContact CD1-CB 4.1Å; L305-L340 HydrophobicContact CD1-CD1 3.91Å; R336-L340 WeakPolarHBondContact O-CB 3.32Å; R336-L340 WeakPolarHBondContact O-CG 3.28Å; R336-L340 PolarHBondContact O-N 3.08Å; A337-L340 CarbonylContact O-C 3.57Å; A337-L340 PolarHBondContact O-N 3.12Å; A337-L340 VanDerWaalsContact O-N 3.1Å; S338-L340 PolarHBondContact O-N 2.96Å |
| 341 | G | 93.3 | Very high | 94.5 | Very high | 71 Ų | 71 | 34.1 Ų | 34.1 | 73% | 0.732 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | 15.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | A337 S338 | A337-G341 PolarHBondContact O-N 2.95Å; S338-G341 PolarHBondContact O-N 3.31Å |
| 342 | L | 94.1 | Very high | 94.3 | Very high | 48 Ų | 48 | 40 Ų | 40 | 25% | 0.251 | 24% | 0.235 | S | C | . | . | trans | -98.2 | 137.3 | 174.1 | -58.6 | 174.7 | 0 | 0 | 0 | 110.6 | L302 L305 F309 A337 S338 | L302-L342 HydrophobicContact CD1-CD1 4.03Å; L302-L342 HydrophobicContact CD1-CD2 4.43Å; L302-L342 HydrophobicContact CD1-CG 4.18Å; L305-L342 HydrophobicContact CB-CD1 3.81Å; L305-L342 HydrophobicContact CD1-CD1 4.45Å; F309-L342 HydrophobicContact CD2-CD1 4.32Å; F309-L342 HydrophobicContact CE2-CB 4.07Å; F309-L342 HydrophobicContact CE2-CD1 4Å; A337-L342 CarbonylContact C-O 3.53Å; A337-L342 HydrophobicContact CB-CB 3.93Å; A337-L342 WeakPolarHBondContact O-CA 3.4Å; A337-L342 PolarHBondContact O-N 3.29Å; A337-L342 VanDerWaalsContact O-O 3.12Å; S338-L342 PolarHBondContact N-O 3.13Å | ||
| 343 | D | 92.9 | Very high | 93.9 | Very high | 89 Ų | 89 | 42.4 Ų | 42.4 | 48% | 0.476 | 25% | 0.248 | S | C | . | . | trans | -101.5 | 111.5 | 174.9 | 177.9 | -23 | 0 | 0 | 0 | 110 | Y345 A346 A347 | D343-Y345 VanDerWaalsContact C-N 3.33Å; D343-Y345 PolarHBondContact O-N 3.48Å; D343-Y345 WeakPolarHBondContact OD1-CA 3.21Å; D343-Y345 WeakPolarHBondContact OD1-CB 3.07Å; D343-Y345 PolarHBondContact OD1-N 2.91Å; D343-A346 HydrophobicContact CB-CB 3.76Å; D343-A346 PolarHBondContact O-N 3.1Å; D343-A346 PolarHBondContact OD1-N 2.88Å; D343-A347 WeakPolarHBondContact O-CB 3.47Å; D343-A347 PolarHBondContact O-N 3.26Å | ||
| 344 | L | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.4 | -40.6 | -178.2 | -176 | 65.4 | 0 | 0 | 0 | 112.8 | F309 W330 I333 D334 L348 Y358 | F309-L344 HydrophobicContact CE1-CD1 3.95Å; F309-L344 HydrophobicContact CZ-CD1 3.72Å; W330-L344 HydrophobicContact CE3-CD1 4.45Å; W330-L344 HydrophobicContact CE3-CD2 3.94Å; W330-L344 HydrophobicContact CZ3-CD1 4.06Å; W330-L344 HydrophobicContact CZ3-CD2 4.26Å; I333-L344 HydrophobicContact CG2-CD1 3.83Å; D334-L344 HydrophobicContact CB-CD2 3.67Å; L344-L348 HydrophobicContact CD1-CD1 3.86Å; L344-L348 HydrophobicContact CD1-CG 4.28Å; L344-L348 PolarHBondContact O-N 3.42Å; L344-Y358 HydrophobicContact CD2-CD1 4.39Å; L344-Y358 HydrophobicContact CD2-CE1 4.13Å |
| 345 | Y | 94.5 | Very high | 92.4 | Very high | 31 Ų | 31 | 58.1 Ų | 58.1 | 12% | 0.122 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -71 | -43.5 | 179.7 | -179.5 | -108.6 | 0 | 0 | 0 | 110.4 | L8 L11 I15 D343 A347 G349 F350 R351 | L8-Y345 HydrophobicContact CD2-CE1 3.85Å; L11-Y345 HydrophobicContact CD2-CD1 4.1Å; L11-Y345 HydrophobicContact CD2-CE1 4.14Å; I15-Y345 HydrophobicContact CD1-CE1 4.2Å; I15-Y345 WeakPolarHBondContact CD1-O 3.18Å; D343-Y345 VanDerWaalsContact C-N 3.33Å; D343-Y345 PolarHBondContact O-N 3.48Å; D343-Y345 WeakPolarHBondContact OD1-CA 3.21Å; D343-Y345 WeakPolarHBondContact OD1-CB 3.07Å; D343-Y345 PolarHBondContact OD1-N 2.91Å; Y345-A347 VanDerWaalsContact C-N 3.27Å; Y345-A347 PolarHBondContact O-N 2.96Å; Y345-G349 VanDerWaalsContact CD2-C 3.47Å; Y345-G349 WeakPolarHBondContact CD2-O 3.5Å; Y345-G349 WeakPolarHBondContact CE2-O 3.5Å; Y345-G349 WeakPolarHBondContact O-CA 3.43Å; Y345-G349 PolarHBondContact O-N 3.41Å; Y345-F350 WeakPolarHBondContact CA-O 3.47Å; Y345-R351 HydrophobicContact CD2-CB 3.9Å; Y345-R351 HydrophobicContact CD2-CG 3.98Å; Y345-R351 HydrophobicContact CE2-CG 4.29Å; Y345-R351 HydrophobicContact CG-CB 4.38Å; Y345-R351 PolarHBondContact OH-NH1 2.74Å |
| 346 | A | 91.4 | Very high | 91.9 | Very high | 26 Ų | 26 | 57 Ų | 57 | 22% | 0.215 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.4 | -32.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | L11 R18 D343 | L11-A346 HydrophobicContact CD1-CB 4.1Å; L11-A346 HydrophobicContact CD2-CB 4.17Å; R18-A346 PolarHBondContact NH2-O 3.3Å; D343-A346 HydrophobicContact CB-CB 3.76Å; D343-A346 PolarHBondContact O-N 3.1Å; D343-A346 PolarHBondContact OD1-N 2.88Å |
| 347 | A | 92.3 | Very high | 91.6 | Very high | 16 Ų | 16 | 57 Ų | 57 | 13% | 0.132 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -77.4 | -58.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | R18 F309 D343 Y345 | R18-A347 PolarHBondContact NH2-O 3.29Å; F309-A347 HydrophobicContact CB-CB 4.42Å; F309-A347 HydrophobicContact CD2-CB 3.7Å; F309-A347 HydrophobicContact CE2-CB 4.17Å; F309-A347 HydrophobicContact CG-CB 4.15Å; D343-A347 WeakPolarHBondContact O-CB 3.47Å; D343-A347 PolarHBondContact O-N 3.26Å; Y345-A347 VanDerWaalsContact C-N 3.27Å; Y345-A347 PolarHBondContact O-N 2.96Å |
| 348 | L | 94.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -112.4 | -13.1 | -164.5 | -49.6 | -172 | 0 | 0 | 0 | 114.4 | F309 F312 Q313 W330 L344 F350 Q362 | F309-L348 HydrophobicContact CB-CD2 4.11Å; F309-L348 HydrophobicContact CD1-CD1 3.71Å; F309-L348 HydrophobicContact CD1-CD2 4.05Å; F309-L348 HydrophobicContact CD1-CG 4.06Å; F309-L348 HydrophobicContact CE1-CD1 3.79Å; F309-L348 HydrophobicContact CE1-CG 4.35Å; F309-L348 HydrophobicContact CG-CD2 4.15Å; F309-L348 HydrophobicContact CG-CG 4.42Å; F312-L348 HydrophobicContact CB-CD2 4.01Å; F312-L348 HydrophobicContact CD1-CD1 4.45Å; F312-L348 HydrophobicContact CD1-CD2 3.7Å; F312-L348 HydrophobicContact CD1-CG 4.44Å; F312-L348 HydrophobicContact CD2-CD1 4.28Å; F312-L348 HydrophobicContact CE1-CB 4.32Å; F312-L348 HydrophobicContact CE1-CD2 4.34Å; F312-L348 HydrophobicContact CE2-CD1 4.45Å; F312-L348 HydrophobicContact CG-CD1 4.29Å; F312-L348 HydrophobicContact CG-CD2 3.9Å; Q313-L348 HydrophobicContact CG-CD2 4.37Å; W330-L348 HydrophobicContact CH2-CD1 4.44Å; W330-L348 HydrophobicContact CZ3-CD1 4.25Å; L344-L348 HydrophobicContact CD1-CD1 3.86Å; L344-L348 HydrophobicContact CD1-CG 4.28Å; L344-L348 PolarHBondContact O-N 3.42Å; L348-F350 VanDerWaalsContact C-N 3.31Å; L348-F350 HydrophobicContact CB-CD2 4.11Å; L348-F350 PolarHBondContact O-N 2.87Å; L348-Q362 PolarHBondContact O-NE2 2.94Å |
| 349 | G | 93.3 | Very high | 91.6 | Very high | 2 Ų | 2 | 56.1 Ų | 56.1 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | trans | 78.6 | 7.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y345 S360 | Y345-G349 VanDerWaalsContact CD2-C 3.47Å; Y345-G349 WeakPolarHBondContact CD2-O 3.5Å; Y345-G349 WeakPolarHBondContact CE2-O 3.5Å; Y345-G349 WeakPolarHBondContact O-CA 3.43Å; Y345-G349 PolarHBondContact O-N 3.41Å; G349-S360 VanDerWaalsContact O-CB 3.28Å; G349-S360 WeakPolarHBondContact O-CB 3.39Å; G349-S360 PolarHBondContact O-OG 2.98Å | ||
| 350 | F | 95.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | trans | -88.3 | 138.2 | 173.5 | -76.6 | -80.6 | 0 | 0 | 0 | 111.4 | F312 V320 W330 Y345 L348 C363 H365 | F312-F350 HydrophobicContact CE1-CE2 4.42Å; F312-F350 HydrophobicContact CZ-CD2 4.47Å; F312-F350 AromaticContact CZ-CE2 3.86Å; F312-F350 HydrophobicContact CZ-CE2 3.86Å; V320-F350 HydrophobicContact CB-CZ 4.16Å; V320-F350 HydrophobicContact CG2-CE2 4.02Å; V320-F350 HydrophobicContact CG2-CZ 3.97Å; W330-F350 HydrophobicContact CE3-CB 4.42Å; W330-F350 HydrophobicContact CH2-CB 4.04Å; W330-F350 HydrophobicContact CH2-CD1 4.23Å; W330-F350 AromaticContact CH2-CD2 3.42Å; W330-F350 HydrophobicContact CH2-CD2 3.42Å; W330-F350 VanDerWaalsContact CH2-CD2 3.42Å; W330-F350 AromaticContact CH2-CE2 3.91Å; W330-F350 HydrophobicContact CH2-CE2 3.91Å; W330-F350 AromaticContact CH2-CG 3.59Å; W330-F350 HydrophobicContact CH2-CG 3.59Å; W330-F350 HydrophobicContact CZ2-CB 4.45Å; W330-F350 AromaticContact CZ2-CD1 3.91Å; W330-F350 HydrophobicContact CZ2-CD1 3.91Å; W330-F350 AromaticContact CZ2-CD2 3.83Å; W330-F350 HydrophobicContact CZ2-CD2 3.83Å; W330-F350 HydrophobicContact CZ2-CE1 4.15Å; W330-F350 HydrophobicContact CZ2-CE2 4.04Å; W330-F350 AromaticContact CZ2-CG 3.75Å; W330-F350 HydrophobicContact CZ2-CG 3.75Å; W330-F350 HydrophobicContact CZ2-CZ 4.18Å; W330-F350 HydrophobicContact CZ3-CB 4.03Å; W330-F350 HydrophobicContact CZ3-CD2 4.17Å; W330-F350 HydrophobicContact CZ3-CG 4.11Å; Y345-F350 WeakPolarHBondContact CA-O 3.47Å; L348-F350 VanDerWaalsContact C-N 3.31Å; L348-F350 HydrophobicContact CB-CD2 4.11Å; L348-F350 PolarHBondContact O-N 2.87Å; F350-C363 HydrophobicContact CE2-CB 4.04Å; F350-C363 HydrophobicContact CZ-CB 3.79Å; F350-H365 HydrophobicContact CE1-CB 3.77Å | ||
| 351 | R | 92.7 | Very high | 91.4 | Very high | 91 Ų | 91 | 51.4 Ų | 51.4 | 34% | 0.343 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 155.4 | 172.7 | 64.4 | -177.1 | 179.9 | -141.1 | 1.1 | 111.1 | Y345 Y358 K359 | Y345-R351 HydrophobicContact CD2-CB 3.9Å; Y345-R351 HydrophobicContact CD2-CG 3.98Å; Y345-R351 HydrophobicContact CE2-CG 4.29Å; Y345-R351 HydrophobicContact CG-CB 4.38Å; Y345-R351 PolarHBondContact OH-NH1 2.74Å; R351-Y358 WeakPolarHBondContact O-CA 3.41Å; R351-K359 PolarHBondContact N-O 2.98Å; R351-K359 PolarHBondContact O-N 3.11Å; R351-K359 VanDerWaalsContact O-N 3.11Å |
| 352 | R | 91.3 | Very high | 91.1 | Very high | 154 Ų | 154 | 48.3 Ų | 48.3 | 58% | 0.581 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 129.1 | 175.1 | -160.9 | 174.5 | -172.6 | -163.9 | -4.3 | 111.6 | G356 E357 Y358 | R352-G356 VanDerWaalsContact NE-CA 3.27Å; R352-G356 PolarHBondContact NE-O 3.48Å; R352-E357 CarbonylContact C-O 3.57Å; R352-E357 WeakPolarHBondContact CA-O 3.33Å; R352-Y358 HydrophobicContact CB-CD1 4.43Å; R352-Y358 HydrophobicContact CB-CD2 4.46Å; R352-Y358 HydrophobicContact CB-CE1 4.01Å; R352-Y358 HydrophobicContact CB-CE2 4.05Å; R352-Y358 HydrophobicContact CG-CD2 4.38Å; R352-Y358 HydrophobicContact CG-CE2 3.97Å |
| 353 | D | 88 | Confident | 91.2 | Very high | 55 Ų | 55 | 46 Ų | 46 | 29% | 0.294 | 22% | 0.217 | S | C | . | . | trans | -88.1 | -176.7 | 174.6 | 81.7 | 4.1 | 0 | 0 | 0 | 112.8 | M355 G356 E357 K359 | D353-M355 PolarHBondContact O-N 3.41Å; D353-M355 WeakPolarHBondContact OD1-CA 3.24Å; D353-M355 WeakPolarHBondContact OD1-CB 3.39Å; D353-M355 PolarHBondContact OD1-N 3.42Å; D353-G356 PolarHBondContact O-N 2.66Å; D353-G356 PolarHBondContact OD1-N 3.1Å; D353-G356 VanDerWaalsContact OD1-N 3.1Å; D353-E357 PolarHBondContact N-O 3.34Å; D353-E357 PolarHBondContact OD1-N 3.06Å; D353-K359 IonicContact OD2-NZ 3.32Å; D353-K359 PolarHBondContact OD2-NZ 2.98Å | ||
| 354 | K | 79.4 | Confident | 91.3 | Very high | 215 Ų | 215 | 41.9 Ų | 41.9 | 94% | 0.935 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -21.4 | -179.8 | -65.1 | -174.9 | 178.1 | -172.3 | 0 | 114.2 | G356 | K354-G356 VanDerWaalsContact C-N 3.29Š|
| 355 | M | 81.6 | Confident | 91.4 | Very high | 159 Ų | 159 | 41.9 Ų | 41.9 | 78% | 0.783 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 1.1 | 176 | -58.6 | -149.2 | 119 | 0 | 0 | 111.9 | D353 E357 | D353-M355 PolarHBondContact O-N 3.41Å; D353-M355 WeakPolarHBondContact OD1-CA 3.24Å; D353-M355 WeakPolarHBondContact OD1-CB 3.39Å; D353-M355 PolarHBondContact OD1-N 3.42Å; M355-E357 HydrophobicContact CB-CG 4.19Å |
| 356 | G | 84.3 | Confident | 91.5 | Very high | 14 Ų | 14 | 40.4 Ų | 40.4 | 14% | 0.144 | 19% | 0.189 | C | C | . | . | S | Bend | trans | 83.8 | 14.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | R352 D353 K354 | R352-G356 VanDerWaalsContact NE-CA 3.27Å; R352-G356 PolarHBondContact NE-O 3.48Å; D353-G356 PolarHBondContact O-N 2.66Å; D353-G356 PolarHBondContact OD1-N 3.1Å; D353-G356 VanDerWaalsContact OD1-N 3.1Å; K354-G356 VanDerWaalsContact C-N 3.29Å |
| 357 | E | 92.2 | Very high | 91.7 | Very high | 19 Ų | 19 | 39.2 Ų | 39.2 | 9% | 0.089 | 18% | 0.179 | C | C | . | . | trans | -98.8 | 138 | -174.6 | -56.8 | 171.7 | 161.5 | 0 | 0 | 109.9 | R352 D353 M355 K359 R455 | R352-E357 CarbonylContact C-O 3.57Å; R352-E357 WeakPolarHBondContact CA-O 3.33Å; D353-E357 PolarHBondContact N-O 3.34Å; D353-E357 PolarHBondContact OD1-N 3.06Å; M355-E357 HydrophobicContact CB-CG 4.19Å; E357-K359 WeakPolarHBondContact OE2-CE 3.4Å; E357-K359 IonicContact OE2-NZ 3.44Å; E357-K359 PolarHBondContact OE2-NZ 3.27Å; E357-R455 WeakPolarHBondContact OE1-CD 3.22Å; E357-R455 WeakPolarHBondContact OE2-CD 3.33Å; E357-R455 IonicContact OE2-NE 3.67Å | ||
| 358 | Y | 95.1 | Very high | 91.9 | Very high | 7 Ų | 7 | 38.4 Ų | 38.4 | 3% | 0.027 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 121 | 178.4 | -78 | -99.3 | 0 | 0 | 0 | 109.9 | D326 W330 P331 D334 L344 R351 R352 H365 | D326-Y358 PolarHBondContact OD1-N 3.01Å; W330-Y358 HydrophobicContact CB-CD1 3.72Å; W330-Y358 HydrophobicContact CB-CD2 3.39Å; W330-Y358 HydrophobicContact CB-CE1 4.08Å; W330-Y358 HydrophobicContact CB-CE2 3.78Å; W330-Y358 HydrophobicContact CB-CG 3.35Å; W330-Y358 HydrophobicContact CD2-CG 4.47Å; W330-Y358 HydrophobicContact CG-CD1 4.19Å; W330-Y358 HydrophobicContact CG-CD2 4.19Å; W330-Y358 AromaticContact CG-CG 3.77Å; W330-Y358 HydrophobicContact CG-CG 3.77Å; P331-Y358 WeakPolarHBondContact CA-OH 3.28Å; P331-Y358 HydrophobicContact CB-CE2 4.39Å; P331-Y358 VanDerWaalsContact CD-CE2 3.49Å; P331-Y358 HydrophobicContact CG-CE2 3.73Å; D334-Y358 HydrophobicContact CB-CE1 4.04Å; D334-Y358 PolarHBondContact OD2-OH 2.96Å; D334-Y358 VanDerWaalsContact OD2-OH 3.13Å; L344-Y358 HydrophobicContact CD2-CD1 4.39Å; L344-Y358 HydrophobicContact CD2-CE1 4.13Å; R351-Y358 WeakPolarHBondContact O-CA 3.41Å; R352-Y358 HydrophobicContact CB-CD1 4.43Å; R352-Y358 HydrophobicContact CB-CD2 4.46Å; R352-Y358 HydrophobicContact CB-CE1 4.01Å; R352-Y358 HydrophobicContact CB-CE2 4.05Å; R352-Y358 HydrophobicContact CG-CD2 4.38Å; R352-Y358 HydrophobicContact CG-CE2 3.97Å; Y358-H365 WeakPolarHBondContact O-CB 3.44Å; Y358-H365 PolarHBondContact O-ND1 3.23Å |
| 359 | K | 93.5 | Very high | 91.9 | Very high | 49 Ų | 49 | 41 Ų | 41 | 21% | 0.213 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 154.6 | -177 | -65.4 | 175.5 | -174.7 | 153.3 | 0 | 110.8 | R351 D353 E357 D451 | R351-K359 PolarHBondContact N-O 2.98Å; R351-K359 PolarHBondContact O-N 3.11Å; R351-K359 VanDerWaalsContact O-N 3.11Å; D353-K359 IonicContact OD2-NZ 3.32Å; D353-K359 PolarHBondContact OD2-NZ 2.98Å; E357-K359 WeakPolarHBondContact OE2-CE 3.4Å; E357-K359 IonicContact OE2-NZ 3.44Å; E357-K359 PolarHBondContact OE2-NZ 3.27Å; K359-D451 HydrophobicContact CD-CB 4.43Å |
| 360 | S | 93.3 | Very high | 91.9 | Very high | 5 Ų | 5 | 44.7 Ų | 44.7 | 4% | 0.035 | 20% | 0.196 | C | C | . | . | trans | -132.1 | 161.9 | 171.4 | 169.9 | 0 | 0 | 0 | 0 | 108.6 | G349 Q362 C363 | G349-S360 VanDerWaalsContact O-CB 3.28Å; G349-S360 WeakPolarHBondContact O-CB 3.39Å; G349-S360 PolarHBondContact O-OG 2.98Å; S360-Q362 PolarHBondContact OG-NE2 3.13Å; S360-Q362 PolarHBondContact OG-OE1 3.43Å; S360-C363 CarbonylContact C-O 3.47Å; S360-C363 VanDerWaalsContact CB-O 3.23Å; S360-C363 WeakPolarHBondContact CB-O 3.49Å; S360-C363 PolarHBondContact OG-N 3.28Å | ||
| 361 | R | 90.7 | Very high | 91.8 | Very high | 27 Ų | 27 | 45.2 Ų | 45.2 | 10% | 0.102 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -90.8 | -43.5 | -179 | -69.8 | -174 | 173.7 | -130.7 | -3.6 | 112.1 | R12 N36 H38 A39 E54 Y56 | R12-R361 VanDerWaalsContact NH1-CZ 3.32Å; N36-R361 PolarHBondContact ND2-O 3.27Å; H38-R361 HydrophobicContact CB-CG 4.36Å; H38-R361 PolarHBondContact NE2-O 2.92Å; A39-R361 PolarHBondContact O-NH1 2.84Å; A39-R361 PolarHBondContact O-NH2 2.68Å; E54-R361 IonicContact OE2-CZ 2.77Å; E54-R361 IonicContact OE2-NH1 3.85Å; E54-R361 PolarHBondContact OE2-NH1 3.03Å; Y56-R361 HydrophobicContact CE2-CB 4.46Å; Y56-R361 WeakPolarHBondContact OH-CB 3.35Å |
| 362 | Q | 88.9 | Confident | 91.6 | Very high | 7 Ų | 7 | 41 Ų | 41 | 3% | 0.033 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -82.4 | -20.1 | 179 | 75.6 | -72.8 | -7.1 | 0 | 0 | 113 | E16 F19 Y21 Y56 L348 S360 | E16-Q362 HydrophobicContact CG-CB 4.28Å; F19-Q362 HydrophobicContact CB-CG 3.85Å; F19-Q362 HydrophobicContact CD1-CG 4.12Å; F19-Q362 HydrophobicContact CD2-CG 4.31Å; F19-Q362 HydrophobicContact CG-CG 3.83Å; Y21-Q362 HydrophobicContact CD2-CB 3.75Å; Y21-Q362 HydrophobicContact CE2-CB 4.3Å; Y21-Q362 VanDerWaalsContact CE2-O 3.31Å; Y21-Q362 WeakPolarHBondContact CE2-O 3.42Å; Y21-Q362 HydrophobicContact CG-CB 4.38Å; Y56-Q362 HydrophobicContact CD1-CB 4.3Å; Y56-Q362 HydrophobicContact CE1-CB 3.91Å; L348-Q362 PolarHBondContact O-NE2 2.94Å; S360-Q362 PolarHBondContact OG-NE2 3.13Å; S360-Q362 PolarHBondContact OG-OE1 3.43Å |
| 363 | C | 94.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -129.3 | 120.9 | -178.9 | -171.9 | 0 | 0 | 0 | 0 | 110 | P317 D318 F350 S360 | P317-C363 PolarHBondContact O-SG 3.18Å; D318-C363 CarbonylContact O-C 3.54Å; D318-C363 WeakPolarHBondContact O-CA 3.49Å; F350-C363 HydrophobicContact CE2-CB 4.04Å; F350-C363 HydrophobicContact CZ-CB 3.79Å; S360-C363 CarbonylContact C-O 3.47Å; S360-C363 VanDerWaalsContact CB-O 3.23Å; S360-C363 WeakPolarHBondContact CB-O 3.49Å; S360-C363 PolarHBondContact OG-N 3.28Å |
| 364 | S | 95.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 137.7 | -177.8 | -51.6 | 0 | 0 | 0 | 0 | 110.7 | N36 D318 I319 V320 D451 | N36-S364 PolarHBondContact ND2-OG 2.94Å; N36-S364 VanDerWaalsContact ND2-OG 3.16Å; D318-S364 PolarHBondContact O-N 3.4Å; I319-S364 WeakPolarHBondContact CA-O 3.4Å; V320-S364 PolarHBondContact N-O 3.21Å; S364-D451 WeakPolarHBondContact CA-OD2 3.17Å; S364-D451 WeakPolarHBondContact CB-OD2 3.41Å |
| 365 | H | 96.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 110.6 | 178.3 | 174.5 | -144.4 | 0 | 0 | 0 | 112 | T322 D326 W330 F350 Y358 D451 R455 | T322-H365 PolarHBondContact OG1-NE2 3.03Å; D326-H365 IonicContact OD1-CE1 3.92Å; D326-H365 PolarHBondContact OD1-CE1 2.76Å; D326-H365 VanDerWaalsContact OD1-CE1 3.23Å; D326-H365 IonicContact OD1-ND1 2.72Å; D326-H365 PolarHBondContact OD1-ND1 3.49Å; W330-H365 AromaticContact CD1-CE1 3.34Å; W330-H365 AromaticContact CD1-ND1 3.94Å; W330-H365 AromaticContact CD1-NE2 3.61Å; W330-H365 AromaticContact NE1-CD2 3.53Å; W330-H365 AromaticContact NE1-CE1 3.24Å; W330-H365 PolarHBondContact NE1-CE1 2.9Å; W330-H365 AromaticContact NE1-CG 3.82Å; W330-H365 AromaticContact NE1-ND1 3.63Å; W330-H365 AromaticContact NE1-NE2 3.15Å; W330-H365 PolarHBondContact NE1-NE2 3.08Å; W330-H365 VanDerWaalsContact NE1-NE2 3.15Å; F350-H365 HydrophobicContact CE1-CB 3.77Å; Y358-H365 WeakPolarHBondContact O-CB 3.44Å; Y358-H365 PolarHBondContact O-ND1 3.23Å; H365-D451 PolarHBondContact N-OD1 3.42Å; H365-D451 VanDerWaalsContact N-OD1 3.08Å; H365-R455 PolarHBondContact ND1-NH2 2.85Å; H365-R455 VanDerWaalsContact ND1-NH2 3.17Å; H365-R455 PolarHBondContact O-NH1 3.39Å; H365-R455 PolarHBondContact O-NH2 2.88Å |
| 366 | M | 96.7 | Very high | 91 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 82.4 | -179.3 | -61.5 | -65.6 | 123.2 | 0 | 0 | 111.2 | I319 V320 V321 T322 V368 Y431 I439 P450 L454 | I319-M366 HydrophobicContact CG2-CB 4.2Å; I319-M366 HydrophobicContact CG2-CG 3.59Å; V320-M366 PolarHBondContact O-N 3.34Å; V321-M366 WeakPolarHBondContact CA-O 3.15Å; V321-M366 HydrophobicContact CG2-CB 4.37Å; T322-M366 PolarHBondContact N-O 3.09Å; M366-V368 PolarHBondContact O-N 3.43Å; M366-V368 VanDerWaalsContact O-N 3.07Å; M366-Y431 HydrophobicContact CB-CD2 3.87Å; M366-Y431 HydrophobicContact CB-CE2 3.46Å; M366-Y431 VanDerWaalsContact CB-CE2 3.46Å; M366-Y431 HydrophobicContact CG-CD2 4.38Å; M366-Y431 HydrophobicContact CG-CE2 3.47Å; M366-Y431 VanDerWaalsContact CG-CE2 3.47Å; M366-Y431 HydrophobicContact SD-CE2 4.37Å; M366-I439 HydrophobicContact SD-CG2 4.3Å; M366-P450 HydrophobicContact CE-CB 3.66Å; M366-P450 HydrophobicContact CE-CG 4.01Å; M366-L454 HydrophobicContact SD-CD2 4.03Å |
| 367 | D | 96.2 | Very high | 90.4 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 101.2 | 168.5 | 179.7 | -1.6 | 0 | 0 | 0 | 110 | N324 Y369 R370 | N324-D367 WeakPolarHBondContact CA-OD1 3.29Å; N324-D367 PolarHBondContact N-OD1 3.08Å; D367-Y369 PolarHBondContact O-N 3.02Å; D367-Y369 VanDerWaalsContact O-N 3.1Å; D367-Y369 VanDerWaalsContact OD1-CB 3.25Å; D367-Y369 WeakPolarHBondContact OD1-CB 3.46Å; D367-Y369 PolarHBondContact OD1-N 3.32Å; D367-R370 HydrophobicContact CB-CG 4.04Å; D367-R370 WeakPolarHBondContact O-CB 3.43Å; D367-R370 PolarHBondContact O-N 2.71Å; D367-R370 IonicContact OD2-NE 3.5Å |
| 368 | V | 96.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -55.8 | -31.1 | -176.5 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | V321 T322 Y323 M366 R370 W371 V372 T427 L430 Y431 V435 | V321-V368 HydrophobicContact CG1-CG2 3.42Å; V321-V368 VanDerWaalsContact CG1-CG2 3.42Å; T322-V368 PolarHBondContact O-N 3.41Å; Y323-V368 HydrophobicContact CD2-CB 3.93Å; Y323-V368 HydrophobicContact CD2-CG1 3.81Å; Y323-V368 HydrophobicContact CE2-CG1 3.97Å; M366-V368 PolarHBondContact O-N 3.43Å; M366-V368 VanDerWaalsContact O-N 3.07Å; V368-R370 PolarHBondContact O-N 3.33Å; V368-W371 WeakPolarHBondContact O-CB 3.44Å; V368-W371 PolarHBondContact O-N 3.06Å; V368-W371 VanDerWaalsContact O-N 3.11Å; V368-V372 HydrophobicContact CG1-CG2 4.04Å; V368-V372 WeakPolarHBondContact O-CG2 3.34Å; V368-V372 PolarHBondContact O-N 2.77Å; V368-T427 HydrophobicContact CG2-CG2 4.47Å; V368-L430 HydrophobicContact CG1-CB 4.17Å; V368-Y431 HydrophobicContact CG2-CD2 4.46Å; V368-V435 HydrophobicContact CG1-CG2 4.04Å; V368-V435 HydrophobicContact CG2-CG2 4.31Å |
| 369 | Y | 94.4 | Very high | 87.3 | Confident | 53 Ų | 53 | 31.3 Ų | 31.3 | 21% | 0.208 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.1 | -31.7 | -179.9 | -178.8 | -115 | 0 | 0 | 0 | 112.5 | Y323 N324 D367 V372 K373 H383 | Y323-Y369 AromaticContact CE1-CD2 3.92Å; Y323-Y369 HydrophobicContact CE1-CD2 3.92Å; N324-Y369 HydrophobicContact CB-CD1 4.38Å; N324-Y369 HydrophobicContact CB-CG 4.26Å; D367-Y369 PolarHBondContact O-N 3.02Å; D367-Y369 VanDerWaalsContact O-N 3.1Å; D367-Y369 VanDerWaalsContact OD1-CB 3.25Å; D367-Y369 WeakPolarHBondContact OD1-CB 3.46Å; D367-Y369 PolarHBondContact OD1-N 3.32Å; Y369-V372 PolarHBondContact O-N 3.06Å; Y369-K373 WeakPolarHBondContact O-CB 3.26Å; Y369-K373 PolarHBondContact O-N 3.12Å; Y369-H383 HydrophobicContact CE2-CB 3.94Å; Y369-H383 WeakPolarHBondContact CE2-O 3.39Å |
| 370 | R | 93.4 | Very high | 85.5 | Confident | 80 Ų | 80 | 34.6 Ų | 34.6 | 30% | 0.302 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -64 | -43.5 | 175.7 | -59.9 | -63.4 | -179.1 | 155.4 | 2.6 | 111.7 | D326 D367 V368 K373 R374 L454 R455 | D326-R370 IonicContact OD2-NE 2.8Å; D326-R370 IonicContact OD2-NH2 3.94Å; D367-R370 HydrophobicContact CB-CG 4.04Å; D367-R370 WeakPolarHBondContact O-CB 3.43Å; D367-R370 PolarHBondContact O-N 2.71Å; D367-R370 IonicContact OD2-NE 3.5Å; V368-R370 PolarHBondContact O-N 3.33Å; R370-K373 PolarHBondContact O-N 3.14Å; R370-R374 PolarHBondContact O-N 3.39Å; R370-L454 HydrophobicContact CB-CD1 3.91Å; R370-L454 HydrophobicContact CB-CD2 4.32Å; R370-L454 HydrophobicContact CB-CG 3.81Å; R370-R455 HydrophobicContact CG-CG 4.39Å |
| 371 | W | 93.3 | Very high | 83.7 | Confident | 13 Ų | 13 | 35.7 Ų | 35.7 | 5% | 0.049 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.5 | -42.3 | 173.4 | 178.8 | 88.8 | 0 | 0 | 0 | 111.2 | V368 K373 R374 D375 S376 Y434 V435 F438 L454 | V368-W371 WeakPolarHBondContact O-CB 3.44Å; V368-W371 PolarHBondContact O-N 3.06Å; V368-W371 VanDerWaalsContact O-N 3.11Å; W371-K373 VanDerWaalsContact C-N 3.29Å; W371-K373 PolarHBondContact O-N 2.98Å; W371-R374 PolarHBondContact O-N 3.44Å; W371-D375 HydrophobicContact CD2-CB 4.49Å; W371-D375 HydrophobicContact CG-CB 4.38Å; W371-D375 PolarHBondContact O-N 2.9Å; W371-S376 PolarHBondContact O-N 3.13Å; W371-Y434 HydrophobicContact CH2-CD1 4.39Å; W371-Y434 HydrophobicContact CH2-CG 4.08Å; W371-V435 HydrophobicContact CB-CG1 4.04Å; W371-V435 HydrophobicContact CB-CG2 4Å; W371-V435 HydrophobicContact CD2-CG2 3.78Å; W371-V435 HydrophobicContact CE3-CG2 3.87Å; W371-V435 HydrophobicContact CG-CB 4.42Å; W371-V435 HydrophobicContact CG-CG1 4.16Å; W371-V435 HydrophobicContact CG-CG2 3.83Å; W371-F438 AromaticContact CD1-CD1 3.44Å; W371-F438 VanDerWaalsContact CD1-CD1 3.44Å; W371-F438 AromaticContact CD1-CE1 3.85Å; W371-F438 AromaticContact NE1-CD1 3.11Å; W371-F438 AromaticContact NE1-CE1 3.64Å; W371-F438 AromaticContact NE1-CG 3.72Å; W371-L454 HydrophobicContact CB-CD1 3.8Å |
| 372 | V | 88.6 | Confident | 82.5 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.4 | -44.9 | 177.6 | 172.8 | 0 | 0 | 0 | 0 | 111 | Y323 V368 Y369 S376 H383 | Y323-V372 HydrophobicContact CE2-CG2 4.08Å; V368-V372 HydrophobicContact CG1-CG2 4.04Å; V368-V372 WeakPolarHBondContact O-CG2 3.34Å; V368-V372 PolarHBondContact O-N 2.77Å; Y369-V372 PolarHBondContact O-N 3.06Å; V372-S376 WeakPolarHBondContact O-CB 3.41Å; V372-S376 PolarHBondContact O-OG 3.43Å; V372-H383 HydrophobicContact CG1-CB 3.83Å |
| 373 | K | 82.8 | Confident | 82 | Confident | 137 Ų | 137 | 35.6 Ų | 35.6 | 60% | 0.596 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -67 | -36.8 | -179.8 | -170.6 | 175.6 | -179.1 | 178.4 | 0 | 113.4 | Y369 R370 W371 | Y369-K373 WeakPolarHBondContact O-CB 3.26Å; Y369-K373 PolarHBondContact O-N 3.12Å; R370-K373 PolarHBondContact O-N 3.14Å; W371-K373 VanDerWaalsContact C-N 3.29Å; W371-K373 PolarHBondContact O-N 2.98Å |
| 374 | R | 85.7 | Confident | 81.4 | Confident | 62 Ų | 62 | 39.9 Ų | 39.9 | 23% | 0.234 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -92.7 | -45.1 | -174 | -166.7 | -175.9 | 69 | -167.3 | -8.8 | 113.8 | R370 W371 V453 L454 K456 | R370-R374 PolarHBondContact O-N 3.39Å; W371-R374 PolarHBondContact O-N 3.44Å; R374-V453 PolarHBondContact NH1-O 2.83Å; R374-V453 PolarHBondContact NH2-O 2.77Å; R374-L454 PolarHBondContact NH1-O 2.82Å; R374-K456 PolarHBondContact NH1-O 3.39Å |
| 375 | D | 82.7 | Confident | 81 | Confident | 12 Ų | 12 | 40.7 Ų | 40.7 | 6% | 0.064 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -125.7 | -11.8 | -161.5 | -59.5 | -63.4 | 0 | 0 | 0 | 115.3 | W371 Y377 F438 | W371-D375 HydrophobicContact CD2-CB 4.49Å; W371-D375 HydrophobicContact CG-CB 4.38Å; W371-D375 PolarHBondContact O-N 2.9Å; D375-Y377 WeakPolarHBondContact O-CD2 3.47Å; D375-Y377 VanDerWaalsContact O-CE2 3.24Å; D375-Y377 WeakPolarHBondContact O-CE2 3.48Å; D375-Y377 PolarHBondContact O-N 3.19Å; D375-F438 HydrophobicContact CB-CE1 3.82Å; D375-F438 HydrophobicContact CB-CZ 4.11Å; D375-F438 WeakPolarHBondContact OD2-CE1 3.36Å |
| 376 | S | 77.5 | Confident | 80.5 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.007 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -68.7 | -17.7 | -178.1 | 71 | 0 | 0 | 0 | 0 | 114.3 | W371 V372 L378 K392 | W371-S376 PolarHBondContact O-N 3.13Å; V372-S376 WeakPolarHBondContact O-CB 3.41Å; V372-S376 PolarHBondContact O-OG 3.43Å; S376-L378 PolarHBondContact O-N 3.2Å; S376-L378 WeakPolarHBondContact OG-CB 3.29Å; S376-L378 WeakPolarHBondContact OG-CG 3.44Å; S376-L378 PolarHBondContact OG-N 3.01Å; S376-L378 VanDerWaalsContact OG-N 3.13Å; S376-K392 WeakPolarHBondContact O-CE 3.47Å; S376-K392 PolarHBondContact O-NZ 3.46Å |
| 377 | Y | 70.5 | Confident | 79.4 | Confident | 161 Ų | 161 | 42.2 Ų | 42.2 | 63% | 0.631 | 20% | 0.201 | S | C | * | . | trans | 54.8 | 14 | -168.6 | -59.7 | -89.9 | 0 | 0 | 0 | 114.1 | D375 | D375-Y377 WeakPolarHBondContact O-CD2 3.47Å; D375-Y377 VanDerWaalsContact O-CE2 3.24Å; D375-Y377 WeakPolarHBondContact O-CE2 3.48Å; D375-Y377 PolarHBondContact O-N 3.19Å | ||
| 378 | L | 67.7 | Low | 78.8 | Confident | 21 Ų | 21 | 42.1 Ų | 42.1 | 11% | 0.11 | 20% | 0.201 | C | C | . | . | trans | -71 | 143.6 | 173.7 | -68.6 | 176.3 | 0 | 0 | 0 | 109.6 | S376 H383 C388 M391 K392 | S376-L378 PolarHBondContact O-N 3.2Å; S376-L378 WeakPolarHBondContact OG-CB 3.29Å; S376-L378 WeakPolarHBondContact OG-CG 3.44Å; S376-L378 PolarHBondContact OG-N 3.01Å; S376-L378 VanDerWaalsContact OG-N 3.13Å; L378-H383 PolarHBondContact O-NE2 3.03Å; L378-C388 HydrophobicContact CD1-CB 4.19Å; L378-M391 HydrophobicContact CD2-CB 3.74Å; L378-M391 HydrophobicContact CD2-CG 4.28Å; L378-K392 HydrophobicContact CD1-CG 4.03Å | ||
| 379 | P | 55.9 | Low | 78.3 | Confident | 27 Ų | 27 | 42.1 Ų | 42.1 | 18% | 0.175 | 20% | 0.201 | C | C | . | . | trans | -59.9 | 150.6 | 168 | 27.6 | -32.5 | 0 | 0 | 0 | 108.9 | G381 S382 H383 K913 | P379-G381 PolarHBondContact O-N 3.36Å; P379-S382 PolarHBondContact O-N 3.41Å; P379-H383 PolarHBondContact O-CD2 3.15Å; P379-H383 PolarHBondContact O-NE2 3.24Å; P379-K913 HydrophobicContact CB-CB 3.95Å; P379-K913 WeakPolarHBondContact CB-O 3.26Å; P379-K913 HydrophobicContact CG-CB 3.95Å; P379-K913 HydrophobicContact CG-CD 4.42Å; P379-K913 HydrophobicContact CG-CG 4.14Å | ||
| 380 | M | 55.7 | Low | 77.8 | Confident | 118 Ų | 118 | 45 Ų | 45 | 58% | 0.581 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -46.9 | -41.2 | 179.1 | -74.4 | -179.2 | 75.1 | 0 | 0 | 111.2 | S382 H383 R915 | M380-S382 PolarHBondContact O-N 2.9Å; M380-H383 WeakPolarHBondContact O-CB 3.3Å; M380-H383 VanDerWaalsContact O-CG 3.23Å; M380-H383 PolarHBondContact O-N 3.35Å; M380-R915 VanDerWaalsContact C-CZ 3.45Å; M380-R915 VanDerWaalsContact C-NH2 3.34Å; M380-R915 HydrophobicContact CB-CG 3.97Å; M380-R915 VanDerWaalsContact CB-NE 3.32Å; M380-R915 PolarHBondContact O-NE 3.4Å; M380-R915 PolarHBondContact O-NH2 3.42Å |
| 381 | G | 54.1 | Low | 77 | Confident | 27 Ų | 27 | 46.3 Ų | 46.3 | 28% | 0.278 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -64.1 | -16.6 | -176 | 0 | 0 | 0 | 0 | 0 | 115.8 | P379 | P379-G381 PolarHBondContact O-N 3.36Š|
| 382 | S | 65.7 | Low | 76.5 | Confident | 21 Ų | 21 | 48 Ų | 48 | 15% | 0.147 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -102.9 | 20.2 | 176.8 | -51.9 | 0 | 0 | 0 | 0 | 112.1 | P379 M380 C388 | P379-S382 PolarHBondContact O-N 3.41Å; M380-S382 PolarHBondContact O-N 2.9Å; S382-C388 WeakPolarHBondContact O-CA 3.4Å; S382-C388 WeakPolarHBondContact O-CB 3.29Å; S382-C388 PolarHBondContact O-N 3.17Å |
| 383 | H | 79 | Confident | 76.4 | Confident | 12 Ų | 12 | 48.5 Ų | 48.5 | 6% | 0.056 | 23% | 0.232 | C | C | . | . | trans | -94.2 | 8.1 | 176.5 | -56 | 177.5 | 0 | 0 | 0 | 113.6 | Y323 Y369 V372 L378 P379 M380 R915 | Y323-H383 PolarHBondContact OH-O 2.96Å; Y369-H383 HydrophobicContact CE2-CB 3.94Å; Y369-H383 WeakPolarHBondContact CE2-O 3.39Å; V372-H383 HydrophobicContact CG1-CB 3.83Å; L378-H383 PolarHBondContact O-NE2 3.03Å; P379-H383 PolarHBondContact O-CD2 3.15Å; P379-H383 PolarHBondContact O-NE2 3.24Å; M380-H383 WeakPolarHBondContact O-CB 3.3Å; M380-H383 VanDerWaalsContact O-CG 3.23Å; M380-H383 PolarHBondContact O-N 3.35Å; H383-R915 PolarHBondContact ND1-NH2 3.4Å | ||
| 384 | N | 81 | Confident | 76.3 | Confident | 90 Ų | 90 | 44 Ų | 44 | 48% | 0.481 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -83.4 | 156.9 | 162.9 | 65.2 | 34.7 | 0 | 0 | 0 | 108.5 | Y323 K386 A387 C388 | Y323-N384 PolarHBondContact OH-O 3.45Å; N384-K386 PolarHBondContact O-N 3.43Å; N384-A387 PolarHBondContact O-N 2.81Å; N384-A387 WeakPolarHBondContact OD1-CA 3.36Å; N384-A387 WeakPolarHBondContact OD1-CB 3.3Å; N384-A387 PolarHBondContact OD1-N 2.9Å; N384-C388 WeakPolarHBondContact O-CB 3.29Å; N384-C388 PolarHBondContact O-N 2.91Å |
| 385 | L | 87 | Confident | 76.3 | Confident | 17 Ų | 17 | 41.8 Ų | 41.8 | 9% | 0.089 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.3 | -52.8 | -174 | 178.8 | 52.9 | 0 | 0 | 0 | 111.2 | Y323 A387 C388 T389 D423 A426 T427 L430 | Y323-L385 HydrophobicContact CD1-CB 3.91Å; Y323-L385 HydrophobicContact CD2-CB 4.33Å; Y323-L385 HydrophobicContact CD2-CD1 3.58Å; Y323-L385 HydrophobicContact CD2-CG 4.45Å; Y323-L385 HydrophobicContact CE1-CB 3.99Å; Y323-L385 HydrophobicContact CE2-CB 4.36Å; Y323-L385 HydrophobicContact CE2-CD1 3.89Å; Y323-L385 HydrophobicContact CG-CB 4.07Å; Y323-L385 HydrophobicContact CG-CD1 3.95Å; Y323-L385 HydrophobicContact CG-CD2 4.43Å; Y323-L385 HydrophobicContact CG-CG 4.38Å; L385-A387 PolarHBondContact O-N 3.47Å; L385-C388 WeakPolarHBondContact O-CB 3.24Å; L385-C388 PolarHBondContact O-N 3.01Å; L385-C388 VanDerWaalsContact O-N 3.16Å; L385-T389 WeakPolarHBondContact O-CB 3.27Å; L385-T389 PolarHBondContact O-N 3.38Å; L385-T389 PolarHBondContact O-OG1 2.92Å; L385-D423 HydrophobicContact CD2-CB 3.64Å; L385-D423 WeakPolarHBondContact CD2-OD1 3.38Å; L385-A426 HydrophobicContact CD1-CB 3.78Å; L385-A426 HydrophobicContact CD2-CB 4.39Å; L385-A426 HydrophobicContact CG-CB 4.09Å; L385-T427 WeakPolarHBondContact CD2-OG1 3.44Å; L385-L430 HydrophobicContact CD1-CD1 3.58Å |
| 386 | K | 86 | Confident | 76.3 | Confident | 16 Ų | 16 | 46.1 Ų | 46.1 | 7% | 0.07 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.9 | -48.2 | -177.3 | -52 | -66.7 | -178.5 | -175.9 | 0 | 113.5 | N384 T389 R390 P397 V398 D423 | N384-K386 PolarHBondContact O-N 3.43Å; K386-T389 WeakPolarHBondContact O-CB 3.45Å; K386-T389 PolarHBondContact O-N 3.34Å; K386-R390 PolarHBondContact O-N 3.4Å; K386-P397 HydrophobicContact CB-CG 3.86Å; K386-P397 HydrophobicContact CD-CB 3.81Å; K386-P397 HydrophobicContact CD-CG 3.51Å; K386-P397 HydrophobicContact CG-CG 4.25Å; K386-V398 VanDerWaalsContact CE-O 3.29Å; K386-V398 WeakPolarHBondContact CE-O 3.09Å; K386-V398 PolarHBondContact NZ-O 3.46Å; K386-D423 WeakPolarHBondContact CE-OD1 3.24Å; K386-D423 VanDerWaalsContact CE-OD2 3.26Å; K386-D423 WeakPolarHBondContact CE-OD2 3.46Å; K386-D423 IonicContact NZ-OD1 3.72Å; K386-D423 PolarHBondContact NZ-OD1 3.23Å; K386-D423 IonicContact NZ-OD2 2.67Å; K386-D423 PolarHBondContact NZ-OD2 3.43Å |
| 387 | A | 74.6 | Confident | 76.6 | Confident | 16 Ų | 16 | 46.4 Ų | 46.4 | 13% | 0.132 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71.8 | -33.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | N384 L385 M391 | N384-A387 PolarHBondContact O-N 2.81Å; N384-A387 WeakPolarHBondContact OD1-CA 3.36Å; N384-A387 WeakPolarHBondContact OD1-CB 3.3Å; N384-A387 PolarHBondContact OD1-N 2.9Å; L385-A387 PolarHBondContact O-N 3.47Å; A387-M391 WeakPolarHBondContact O-CB 3.41Å; A387-M391 WeakPolarHBondContact O-CG 3.35Å; A387-M391 PolarHBondContact O-N 2.62Å |
| 388 | C | 82.6 | Confident | 77.2 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.1 | -45.4 | 173 | -175.4 | 0 | 0 | 0 | 0 | 110.2 | L378 S382 N384 L385 M391 K392 L430 | L378-C388 HydrophobicContact CD1-CB 4.19Å; S382-C388 WeakPolarHBondContact O-CA 3.4Å; S382-C388 WeakPolarHBondContact O-CB 3.29Å; S382-C388 PolarHBondContact O-N 3.17Å; N384-C388 WeakPolarHBondContact O-CB 3.29Å; N384-C388 PolarHBondContact O-N 2.91Å; L385-C388 WeakPolarHBondContact O-CB 3.24Å; L385-C388 PolarHBondContact O-N 3.01Å; L385-C388 VanDerWaalsContact O-N 3.16Å; C388-M391 PolarHBondContact O-N 3.11Å; C388-K392 VanDerWaalsContact O-CB 3.23Å; C388-K392 WeakPolarHBondContact O-CB 3.31Å; C388-K392 WeakPolarHBondContact O-CG 3.5Å; C388-K392 PolarHBondContact O-N 3.3Å; C388-L430 HydrophobicContact CB-CD1 4.41Å |
| 389 | T | 87.2 | Confident | 77.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.4 | -49.7 | 175.5 | -64.4 | 0 | 0 | 0 | 0 | 111.8 | L385 K386 M391 K392 L393 G394 Y395 P397 A426 | L385-T389 WeakPolarHBondContact O-CB 3.27Å; L385-T389 PolarHBondContact O-N 3.38Å; L385-T389 PolarHBondContact O-OG1 2.92Å; K386-T389 WeakPolarHBondContact O-CB 3.45Å; K386-T389 PolarHBondContact O-N 3.34Å; T389-M391 VanDerWaalsContact C-N 3.29Å; T389-M391 PolarHBondContact O-N 2.92Å; T389-K392 PolarHBondContact O-N 3.3Å; T389-L393 HydrophobicContact CG2-CB 4.23Å; T389-L393 HydrophobicContact CG2-CD1 4.13Å; T389-L393 CarbonylContact O-C 3.54Å; T389-L393 WeakPolarHBondContact O-CA 3.15Å; T389-L393 WeakPolarHBondContact O-CB 3.42Å; T389-L393 PolarHBondContact O-N 3.26Å; T389-G394 PolarHBondContact O-N 3.12Å; T389-Y395 HydrophobicContact CG2-CD1 4.26Å; T389-Y395 HydrophobicContact CG2-CD2 4.19Å; T389-Y395 HydrophobicContact CG2-CE1 3.73Å; T389-Y395 HydrophobicContact CG2-CE2 3.63Å; T389-Y395 HydrophobicContact CG2-CG 4.48Å; T389-P397 HydrophobicContact CG2-CB 4.29Å; T389-P397 HydrophobicContact CG2-CG 3.9Å; T389-A426 HydrophobicContact CG2-CB 4.14Å; T389-A426 WeakPolarHBondContact OG1-CB 3.36Å |
| 390 | R | 82.7 | Confident | 78.9 | Confident | 113 Ų | 113 | 44.9 Ų | 44.9 | 43% | 0.426 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -54.8 | -44.6 | 173.2 | -91.2 | -175.4 | -88 | 177.3 | -5.3 | 112.9 | K386 G394 Y395 D396 | K386-R390 PolarHBondContact O-N 3.4Å; R390-G394 VanDerWaalsContact O-CA 3.22Å; R390-G394 WeakPolarHBondContact O-CA 3.47Å; R390-G394 PolarHBondContact O-N 2.97Å; R390-Y395 VanDerWaalsContact CA-O 3.31Å; R390-Y395 WeakPolarHBondContact CA-O 3.39Å; R390-Y395 WeakPolarHBondContact CG-O 3.08Å; R390-D396 WeakPolarHBondContact CD-OD1 3.25Å; R390-D396 HydrophobicContact CG-CB 4.28Å; R390-D396 IonicContact CZ-OD1 3.69Å; R390-D396 IonicContact NE-OD1 2.76Å; R390-D396 PolarHBondContact NE-OD1 2.87Å; R390-D396 IonicContact NH2-OD1 3.49Å |
| 391 | M | 75.7 | Confident | 79.8 | Confident | 108 Ų | 108 | 41.8 Ų | 41.8 | 53% | 0.532 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -79.2 | -27.6 | -175.5 | -69 | -63.1 | -57.1 | 0 | 0 | 114.2 | L378 A387 C388 T389 | L378-M391 HydrophobicContact CD2-CB 3.74Å; L378-M391 HydrophobicContact CD2-CG 4.28Å; A387-M391 WeakPolarHBondContact O-CB 3.41Å; A387-M391 WeakPolarHBondContact O-CG 3.35Å; A387-M391 PolarHBondContact O-N 2.62Å; C388-M391 PolarHBondContact O-N 3.11Å; T389-M391 VanDerWaalsContact C-N 3.29Å; T389-M391 PolarHBondContact O-N 2.92Å |
| 392 | K | 83.1 | Confident | 80.9 | Confident | 49 Ų | 49 | 43.8 Ų | 43.8 | 21% | 0.213 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -105.9 | -46.1 | -174.7 | -67.7 | -66.7 | -174.2 | -179.5 | 0 | 112.5 | S376 L378 C388 T389 L430 Y434 | S376-K392 WeakPolarHBondContact O-CE 3.47Å; S376-K392 PolarHBondContact O-NZ 3.46Å; L378-K392 HydrophobicContact CD1-CG 4.03Å; C388-K392 VanDerWaalsContact O-CB 3.23Å; C388-K392 WeakPolarHBondContact O-CB 3.31Å; C388-K392 WeakPolarHBondContact O-CG 3.5Å; C388-K392 PolarHBondContact O-N 3.3Å; T389-K392 PolarHBondContact O-N 3.3Å; K392-L430 HydrophobicContact CB-CD2 3.7Å; K392-L430 HydrophobicContact CG-CD2 4.31Å; K392-Y434 HydrophobicContact CB-CD2 4.21Å; K392-Y434 HydrophobicContact CB-CE2 3.69Å; K392-Y434 HydrophobicContact CD-CE2 4.39Å; K392-Y434 PolarHBondContact O-OH 2.98Å |
| 393 | L | 87.1 | Confident | 81.5 | Confident | 10 Ų | 10 | 45 Ų | 45 | 5% | 0.052 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -17.9 | 178.9 | -55.8 | -176.6 | 0 | 0 | 0 | 112.8 | F289 T389 Y395 L430 Y434 | F289-L393 HydrophobicContact CE1-CD2 4.26Å; F289-L393 HydrophobicContact CE2-CB 3.91Å; F289-L393 WeakPolarHBondContact CE2-O 3.34Å; F289-L393 HydrophobicContact CZ-CB 4.01Å; F289-L393 HydrophobicContact CZ-CD2 3.96Å; F289-L393 HydrophobicContact CZ-CG 4.46Å; T389-L393 HydrophobicContact CG2-CB 4.23Å; T389-L393 HydrophobicContact CG2-CD1 4.13Å; T389-L393 CarbonylContact O-C 3.54Å; T389-L393 WeakPolarHBondContact O-CA 3.15Å; T389-L393 WeakPolarHBondContact O-CB 3.42Å; T389-L393 PolarHBondContact O-N 3.26Å; L393-Y395 HydrophobicContact CB-CD1 3.82Å; L393-Y395 HydrophobicContact CB-CE1 3.63Å; L393-Y395 HydrophobicContact CD1-CE1 3.86Å; L393-Y395 HydrophobicContact CG-CE1 4.4Å; L393-Y395 PolarHBondContact O-N 3.39Å; L393-L430 HydrophobicContact CD1-CD2 4.28Å; L393-L430 HydrophobicContact CD1-CG 3.99Å; L393-L430 HydrophobicContact CD2-CD2 4.34Å; L393-L430 HydrophobicContact CG-CD2 3.96Å; L393-L430 HydrophobicContact CG-CG 4.24Å; L393-Y434 HydrophobicContact CD2-CD2 4.5Å; L393-Y434 HydrophobicContact CD2-CE2 3.97Å |
| 394 | G | 81.4 | Confident | 81.8 | Confident | 44 Ų | 44 | 47.8 Ų | 47.8 | 45% | 0.454 | 26% | 0.257 | S | S | . | . | trans | 76.7 | 20.7 | 169 | 0 | 0 | 0 | 0 | 0 | 115.1 | K286 T389 R390 | K286-G394 WeakPolarHBondContact CE-O 3.5Å; K286-G394 VanDerWaalsContact NZ-C 3.3Å; K286-G394 PolarHBondContact NZ-O 3.44Å; T389-G394 PolarHBondContact O-N 3.12Å; R390-G394 VanDerWaalsContact O-CA 3.22Å; R390-G394 WeakPolarHBondContact O-CA 3.47Å; R390-G394 PolarHBondContact O-N 2.97Å | ||
| 395 | Y | 85.8 | Confident | 82 | Confident | 14 Ų | 14 | 43.9 Ų | 43.9 | 6% | 0.055 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -125.2 | 161.1 | 170.2 | 69.2 | -93.7 | 0 | 0 | 0 | 110 | P285 F289 T389 R390 L393 P397 | P285-Y395 HydrophobicContact CB-CD1 4.39Å; P285-Y395 HydrophobicContact CB-CD2 3.48Å; P285-Y395 VanDerWaalsContact CB-CD2 3.48Å; P285-Y395 HydrophobicContact CB-CE1 4.49Å; P285-Y395 HydrophobicContact CB-CE2 3.62Å; P285-Y395 HydrophobicContact CB-CG 3.9Å; P285-Y395 HydrophobicContact CG-CD1 4.39Å; P285-Y395 HydrophobicContact CG-CD2 3.96Å; P285-Y395 HydrophobicContact CG-CE1 4.04Å; P285-Y395 HydrophobicContact CG-CE2 3.6Å; P285-Y395 HydrophobicContact CG-CG 4.34Å; F289-Y395 AromaticContact CD2-CD1 3.6Å; F289-Y395 HydrophobicContact CD2-CD1 3.6Å; F289-Y395 AromaticContact CD2-CE1 3.51Å; F289-Y395 HydrophobicContact CD2-CE1 3.51Å; F289-Y395 AromaticContact CE2-CD1 3.72Å; F289-Y395 HydrophobicContact CE2-CD1 3.72Å; F289-Y395 AromaticContact CE2-CE1 3.84Å; F289-Y395 HydrophobicContact CE2-CE1 3.84Å; F289-Y395 HydrophobicContact CG-CE1 4.31Å; T389-Y395 HydrophobicContact CG2-CD1 4.26Å; T389-Y395 HydrophobicContact CG2-CD2 4.19Å; T389-Y395 HydrophobicContact CG2-CE1 3.73Å; T389-Y395 HydrophobicContact CG2-CE2 3.63Å; T389-Y395 HydrophobicContact CG2-CG 4.48Å; R390-Y395 VanDerWaalsContact CA-O 3.31Å; R390-Y395 WeakPolarHBondContact CA-O 3.39Å; R390-Y395 WeakPolarHBondContact CG-O 3.08Å; L393-Y395 HydrophobicContact CB-CD1 3.82Å; L393-Y395 HydrophobicContact CB-CE1 3.63Å; L393-Y395 HydrophobicContact CD1-CE1 3.86Å; L393-Y395 HydrophobicContact CG-CE1 4.4Å; L393-Y395 PolarHBondContact O-N 3.39Å; Y395-P397 HydrophobicContact CE2-CB 3.98Å; Y395-P397 WeakPolarHBondContact O-CD 3.28Å |
| 396 | D | 81.9 | Confident | 82.1 | Confident | 104 Ų | 104 | 44.3 Ų | 44.3 | 56% | 0.556 | 24% | 0.24 | S | C | * | . | trans | -93.4 | 109.5 | 175.7 | -146.8 | -8 | 0 | 0 | 0 | 109.9 | R390 | R390-D396 WeakPolarHBondContact CD-OD1 3.25Å; R390-D396 HydrophobicContact CG-CB 4.28Å; R390-D396 IonicContact CZ-OD1 3.69Å; R390-D396 IonicContact NE-OD1 2.76Å; R390-D396 PolarHBondContact NE-OD1 2.87Å; R390-D396 IonicContact NH2-OD1 3.49Å | ||
| 397 | P | 84.7 | Confident | 82.1 | Confident | 6 Ų | 6 | 46.4 Ų | 46.4 | 4% | 0.039 | 26% | 0.255 | C | S | . | . | trans | -69.5 | 152.4 | 176.4 | 26.5 | -30.4 | 0 | 0 | 0 | 111.1 | K386 T389 Y395 D399 S422 | K386-P397 HydrophobicContact CB-CG 3.86Å; K386-P397 HydrophobicContact CD-CB 3.81Å; K386-P397 HydrophobicContact CD-CG 3.51Å; K386-P397 HydrophobicContact CG-CG 4.25Å; T389-P397 HydrophobicContact CG2-CB 4.29Å; T389-P397 HydrophobicContact CG2-CG 3.9Å; Y395-P397 HydrophobicContact CE2-CB 3.98Å; Y395-P397 WeakPolarHBondContact O-CD 3.28Å; P397-D399 PolarHBondContact O-N 3.38Å; P397-S422 WeakPolarHBondContact CB-OG 3.46Å | ||
| 398 | V | 82.3 | Confident | 82.8 | Confident | 49 Ų | 49 | 47.6 Ų | 47.6 | 30% | 0.297 | 26% | 0.258 | S | S | . | . | trans | -56.8 | 128.5 | 175 | 179.3 | 0 | 0 | 0 | 0 | 109.2 | Y283 K386 Y419 S422 | Y283-V398 HydrophobicContact CE2-CG2 3.59Å; Y283-V398 PolarHBondContact OH-N 3.23Å; K386-V398 VanDerWaalsContact CE-O 3.29Å; K386-V398 WeakPolarHBondContact CE-O 3.09Å; K386-V398 PolarHBondContact NZ-O 3.46Å; V398-Y419 HydrophobicContact CG1-CD2 4.46Å; V398-Y419 WeakPolarHBondContact O-CD2 3.29Å; V398-S422 PolarHBondContact N-OG 2.9Å | ||
| 399 | D | 79.9 | Confident | 83.1 | Confident | 104 Ų | 104 | 47.6 Ų | 47.6 | 56% | 0.556 | 26% | 0.258 | S | S | * | . | trans | -122.1 | 129 | -178 | -156 | 11.6 | 0 | 0 | 0 | 108.6 | P397 | P397-D399 PolarHBondContact O-N 3.38Š| ||
| 400 | L | 78.7 | Confident | 83.2 | Confident | 24 Ų | 24 | 55.3 Ų | 55.3 | 13% | 0.126 | 29% | 0.288 | C | S | . | . | trans | -122.3 | 144.3 | 174.4 | -72.4 | -179.3 | 0 | 0 | 0 | 108.5 | L405 M408 T415 V416 Y419 | L400-L405 HydrophobicContact CB-CD2 4.11Å; L400-L405 HydrophobicContact CD1-CD2 3.97Å; L400-M408 HydrophobicContact CD2-SD 4.08Å; L400-T415 HydrophobicContact CD2-CG2 4.41Å; L400-V416 HydrophobicContact CD1-CG2 4.31Å; L400-Y419 HydrophobicContact CB-CD1 4.44Å; L400-Y419 HydrophobicContact CB-CD2 3.79Å; L400-Y419 HydrophobicContact CB-CE2 4.08Å; L400-Y419 HydrophobicContact CB-CG 4Å; L400-Y419 HydrophobicContact CD1-CD1 3.91Å; L400-Y419 HydrophobicContact CD1-CD2 4.17Å; L400-Y419 HydrophobicContact CD1-CG 3.55Å; L400-Y419 HydrophobicContact CG-CD1 4.44Å; L400-Y419 HydrophobicContact CG-CD2 3.83Å; L400-Y419 HydrophobicContact CG-CG 3.75Å | ||
| 401 | D | 75.4 | Confident | 83.5 | Confident | 54 Ų | 54 | 57 Ų | 57 | 29% | 0.289 | 30% | 0.3 | S | S | . | . | trans | -67.1 | 130.6 | 171.8 | -161.5 | -65.9 | 0 | 0 | 0 | 108.8 | E403 D404 L405 K1039 | D401-E403 PolarHBondContact O-N 2.9Å; D401-E403 PolarHBondContact OD1-N 3.27Å; D401-E403 VanDerWaalsContact OD1-N 3.13Å; D401-D404 HydrophobicContact CB-CB 4.41Å; D401-D404 WeakPolarHBondContact CB-OD2 3.49Å; D401-D404 PolarHBondContact O-N 3.48Å; D401-L405 PolarHBondContact O-N 3.36Å; D401-K1039 IonicContact OD1-NZ 3.91Å; D401-K1039 PolarHBondContact OD1-NZ 3.01Å; D401-K1039 IonicContact OD2-NZ 3.49Å; D401-K1039 PolarHBondContact OD2-NZ 2.71Å | ||
| 402 | P | 76.1 | Confident | 84.3 | Confident | 68 Ų | 68 | 57.3 Ų | 57.3 | 44% | 0.442 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -26.3 | 179.8 | -28.4 | 35.4 | 0 | 0 | 0 | 114.1 | K241 D404 L405 | K241-P402 WeakPolarHBondContact CE-O 3.47Å; P402-D404 VanDerWaalsContact C-N 3.33Å; P402-L405 HydrophobicContact CB-CD1 4.41Å |
| 403 | E | 79.6 | Confident | 84.7 | Confident | 48 Ų | 48 | 55.4 Ų | 55.4 | 22% | 0.224 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -26 | 175.6 | -60.8 | -50 | 141.1 | 0 | 0 | 113.6 | K241 L244 D401 P407 K1039 | K241-E403 IonicContact NZ-OE1 3.68Å; K241-E403 PolarHBondContact NZ-OE1 2.88Å; K241-E403 IonicContact NZ-OE2 2.64Å; K241-E403 PolarHBondContact NZ-OE2 3.34Å; L244-E403 WeakPolarHBondContact CA-OE1 3.33Å; L244-E403 HydrophobicContact CD2-CG 4.08Å; L244-E403 PolarHBondContact N-OE1 3.1Å; L244-E403 PolarHBondContact N-OE2 2.86Å; D401-E403 PolarHBondContact O-N 2.9Å; D401-E403 PolarHBondContact OD1-N 3.27Å; D401-E403 VanDerWaalsContact OD1-N 3.13Å; E403-P407 VanDerWaalsContact O-CD 3.3Å; E403-P407 WeakPolarHBondContact O-CD 3.47Å; E403-K1039 HydrophobicContact CG-CD 4.44Å |
| 404 | D | 83.9 | Confident | 84.8 | Confident | 69 Ų | 69 | 58.6 Ų | 58.6 | 37% | 0.369 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -15.3 | -178.5 | -63.5 | -24.4 | 0 | 0 | 0 | 111.8 | D401 P402 V406 P407 M408 | D401-D404 HydrophobicContact CB-CB 4.41Å; D401-D404 WeakPolarHBondContact CB-OD2 3.49Å; D401-D404 PolarHBondContact O-N 3.48Å; P402-D404 VanDerWaalsContact C-N 3.33Å; D404-V406 PolarHBondContact O-N 3.15Å; D404-P407 WeakPolarHBondContact O-CD 3.49Å; D404-M408 HydrophobicContact CB-CE 3.93Å; D404-M408 HydrophobicContact CB-CG 4.23Å; D404-M408 HydrophobicContact CB-SD 4.07Å; D404-M408 WeakPolarHBondContact O-CB 3.33Å; D404-M408 WeakPolarHBondContact O-CG 3.35Å; D404-M408 PolarHBondContact O-N 3.47Å |
| 405 | L | 86 | Confident | 85.2 | Confident | 9 Ų | 9 | 59.5 Ų | 59.5 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57 | -52.8 | -175.6 | -72.8 | 171.5 | 0 | 0 | 0 | 113.5 | E238 L400 D401 P402 A409 V416 Y419 | E238-L405 WeakPolarHBondContact OE2-CD1 3.39Å; L400-L405 HydrophobicContact CB-CD2 4.11Å; L400-L405 HydrophobicContact CD1-CD2 3.97Å; D401-L405 PolarHBondContact O-N 3.36Å; P402-L405 HydrophobicContact CB-CD1 4.41Å; L405-A409 VanDerWaalsContact O-CB 3.27Å; L405-A409 WeakPolarHBondContact O-CB 3.42Å; L405-A409 PolarHBondContact O-N 3.24Å; L405-V416 HydrophobicContact CD2-CG1 4.18Å; L405-Y419 HydrophobicContact CD1-CE1 4.3Å; L405-Y419 HydrophobicContact CD2-CD1 3.58Å; L405-Y419 HydrophobicContact CD2-CE1 3.39Å; L405-Y419 HydrophobicContact CG-CE1 4.46Å |
| 406 | V | 88.4 | Confident | 85.5 | Confident | 25 Ų | 25 | 58.9 Ų | 58.9 | 15% | 0.152 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.4 | -44.7 | -176.7 | -176.1 | 0 | 0 | 0 | 0 | 111.9 | K241 M255 D404 A409 | K241-V406 HydrophobicContact CG-CG2 4.48Å; M255-V406 HydrophobicContact CE-CG2 4.28Å; M255-V406 HydrophobicContact SD-CG2 4Å; D404-V406 PolarHBondContact O-N 3.15Å; V406-A409 PolarHBondContact O-N 3.24Å |
| 407 | P | 86.7 | Confident | 86 | Confident | 61 Ų | 61 | 53.9 Ų | 53.9 | 40% | 0.396 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 171.9 | -24.3 | 34.4 | 0 | 0 | 0 | 113.1 | E403 D404 A409 R410 E411 | E403-P407 VanDerWaalsContact O-CD 3.3Å; E403-P407 WeakPolarHBondContact O-CD 3.47Å; D404-P407 WeakPolarHBondContact O-CD 3.49Å; P407-A409 VanDerWaalsContact C-N 3.29Å; P407-A409 PolarHBondContact O-N 3.47Å; P407-R410 WeakPolarHBondContact O-CA 3.48Å; P407-R410 WeakPolarHBondContact O-CB 3.15Å; P407-R410 PolarHBondContact O-N 3.38Å; P407-E411 PolarHBondContact O-N 3.09Å |
| 408 | M | 88.8 | Confident | 86.3 | Confident | 41 Ų | 41 | 55.1 Ų | 55.1 | 20% | 0.202 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.9 | -26.3 | 179.3 | -70 | -171.4 | 178 | 0 | 0 | 112.7 | L400 D404 R410 E411 K412 V416 | L400-M408 HydrophobicContact CD2-SD 4.08Å; D404-M408 HydrophobicContact CB-CE 3.93Å; D404-M408 HydrophobicContact CB-CG 4.23Å; D404-M408 HydrophobicContact CB-SD 4.07Å; D404-M408 WeakPolarHBondContact O-CB 3.33Å; D404-M408 WeakPolarHBondContact O-CG 3.35Å; D404-M408 PolarHBondContact O-N 3.47Å; M408-R410 PolarHBondContact O-N 2.99Å; M408-R410 VanDerWaalsContact O-N 3.16Å; M408-E411 PolarHBondContact O-N 3.26Å; M408-K412 HydrophobicContact CB-CB 4.47Å; M408-K412 CarbonylContact O-C 3.57Å; M408-K412 VanDerWaalsContact O-CA 3.29Å; M408-K412 WeakPolarHBondContact O-CA 3.16Å; M408-K412 PolarHBondContact O-N 3.37Å; M408-V416 VanDerWaalsContact C-CG2 3.48Å; M408-V416 HydrophobicContact CB-CG2 3.43Å; M408-V416 VanDerWaalsContact CB-CG2 3.43Å |
| 409 | A | 89.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62 | -21.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V274 S275 L405 V406 P407 | V274-A409 WeakPolarHBondContact CA-O 3.12Å; V274-A409 HydrophobicContact CG2-CB 4.4Å; S275-A409 PolarHBondContact N-O 2.92Å; S275-A409 VanDerWaalsContact N-O 3.08Å; S275-A409 PolarHBondContact OG-O 2.74Å; L405-A409 VanDerWaalsContact O-CB 3.27Å; L405-A409 WeakPolarHBondContact O-CB 3.42Å; L405-A409 PolarHBondContact O-N 3.24Å; V406-A409 PolarHBondContact O-N 3.24Å; P407-A409 VanDerWaalsContact C-N 3.29Å; P407-A409 PolarHBondContact O-N 3.47Å |
| 410 | R | 88.8 | Confident | 87.3 | Confident | 162 Ų | 162 | 48.9 Ų | 48.9 | 61% | 0.611 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -96.5 | -35.4 | 175.1 | -60.3 | 177.2 | 179.2 | 175.1 | 0.2 | 113.3 | S275 P407 M408 | S275-R410 WeakPolarHBondContact CB-O 3.18Å; S275-R410 VanDerWaalsContact OG-C 3.27Å; S275-R410 WeakPolarHBondContact OG-CA 3.36Å; S275-R410 PolarHBondContact OG-O 3.19Å; P407-R410 WeakPolarHBondContact O-CA 3.48Å; P407-R410 WeakPolarHBondContact O-CB 3.15Å; P407-R410 PolarHBondContact O-N 3.38Å; M408-R410 PolarHBondContact O-N 2.99Å; M408-R410 VanDerWaalsContact O-N 3.16Å |
| 411 | E | 89.8 | Confident | 88.1 | Confident | 148 Ų | 148 | 47.7 Ų | 47.7 | 69% | 0.692 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -96.6 | -33.4 | -174.5 | -65.7 | 179.4 | -175.3 | 0 | 0 | 114.1 | P407 M408 | P407-E411 PolarHBondContact O-N 3.09Å; M408-E411 PolarHBondContact O-N 3.26Å |
| 412 | K | 91.3 | Very high | 88.9 | Confident | 115 Ų | 115 | 45.1 Ų | 45.1 | 50% | 0.5 | 23% | 0.226 | S | C | . | . | trans | -141.8 | 58.3 | -172.6 | -62.4 | -176.5 | -177.5 | 175.6 | 0 | 111.1 | M408 Q414 T415 V416 | M408-K412 HydrophobicContact CB-CB 4.47Å; M408-K412 CarbonylContact O-C 3.57Å; M408-K412 VanDerWaalsContact O-CA 3.29Å; M408-K412 WeakPolarHBondContact O-CA 3.16Å; M408-K412 PolarHBondContact O-N 3.37Å; K412-Q414 VanDerWaalsContact C-N 3.27Å; K412-Q414 PolarHBondContact O-N 3.34Å; K412-T415 PolarHBondContact O-N 2.92Å; K412-V416 PolarHBondContact O-N 2.83Å | ||
| 413 | P | 92.2 | Very high | 89.7 | Confident | 8 Ų | 8 | 42.3 Ų | 42.3 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.4 | -33.7 | -168.2 | 27.8 | -37.4 | 0 | 0 | 0 | 112.7 | V274 E276 I278 T415 V416 A417 | V274-P413 HydrophobicContact CG1-CB 3.52Å; E276-P413 HydrophobicContact CB-CG 4.01Å; E276-P413 HydrophobicContact CG-CG 4.46Å; I278-P413 HydrophobicContact CD1-CB 3.84Å; I278-P413 HydrophobicContact CD1-CG 4.18Å; P413-T415 VanDerWaalsContact C-N 3.33Å; P413-T415 PolarHBondContact O-N 2.97Å; P413-V416 PolarHBondContact O-N 2.98Å; P413-A417 WeakPolarHBondContact O-CB 3.48Å; P413-A417 PolarHBondContact O-N 2.65Å |
| 414 | Q | 90.1 | Very high | 90.3 | Very high | 78 Ų | 78 | 40 Ų | 40 | 36% | 0.364 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.1 | -34.7 | 176.7 | -170.5 | 65 | 41.8 | 0 | 0 | 113.5 | I278 K412 S418 | I278-Q414 HydrophobicContact CD1-CB 4.37Å; K412-Q414 VanDerWaalsContact C-N 3.27Å; K412-Q414 PolarHBondContact O-N 3.34Å; Q414-S418 PolarHBondContact O-N 3.03Å; Q414-S418 PolarHBondContact O-OG 3.21Å |
| 415 | T | 88.9 | Confident | 90.9 | Very high | 63 Ų | 63 | 36.7 Ų | 36.7 | 39% | 0.387 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -69.9 | -41 | 177.3 | -55.3 | 0 | 0 | 0 | 0 | 110.7 | L400 K412 P413 S418 Y419 | L400-T415 HydrophobicContact CD2-CG2 4.41Å; K412-T415 PolarHBondContact O-N 2.92Å; P413-T415 VanDerWaalsContact C-N 3.33Å; P413-T415 PolarHBondContact O-N 2.97Å; T415-S418 PolarHBondContact O-N 3.09Å; T415-Y419 PolarHBondContact O-N 3.15Å |
| 416 | V | 91.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.1 | -40.5 | 175.6 | -175.7 | 0 | 0 | 0 | 0 | 111 | M256 L400 L405 M408 K412 P413 S418 Y419 S420 | M256-V416 HydrophobicContact CE-CB 3.95Å; M256-V416 HydrophobicContact CE-CG1 3.57Å; M256-V416 HydrophobicContact SD-CG1 3.98Å; L400-V416 HydrophobicContact CD1-CG2 4.31Å; L405-V416 HydrophobicContact CD2-CG1 4.18Å; M408-V416 VanDerWaalsContact C-CG2 3.48Å; M408-V416 HydrophobicContact CB-CG2 3.43Å; M408-V416 VanDerWaalsContact CB-CG2 3.43Å; K412-V416 PolarHBondContact O-N 2.83Å; P413-V416 PolarHBondContact O-N 2.98Å; V416-S418 VanDerWaalsContact C-N 3.34Å; V416-S418 PolarHBondContact O-N 3.5Å; V416-Y419 PolarHBondContact O-N 2.95Å; V416-S420 PolarHBondContact O-N 3.47Å |
| 417 | A | 92.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.1 | -45.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L267 I278 F281 P413 Y419 S420 V421 | L267-A417 HydrophobicContact CD2-CB 3.66Å; I278-A417 HydrophobicContact CG1-CB 4.26Å; I278-A417 HydrophobicContact CG2-CB 3.93Å; F281-A417 HydrophobicContact CE1-CB 4.21Å; F281-A417 HydrophobicContact CZ-CB 4.25Å; P413-A417 WeakPolarHBondContact O-CB 3.48Å; P413-A417 PolarHBondContact O-N 2.65Å; A417-Y419 VanDerWaalsContact C-N 3.33Å; A417-Y419 PolarHBondContact O-N 3.07Å; A417-S420 PolarHBondContact O-N 3.44Å; A417-V421 WeakPolarHBondContact O-CG1 3.48Å; A417-V421 WeakPolarHBondContact O-CG2 3.36Å; A417-V421 PolarHBondContact O-N 3.43Å |
| 418 | S | 90.8 | Very high | 92.1 | Very high | 32 Ų | 32 | 33 Ų | 33 | 22% | 0.224 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.8 | -37.5 | 177.8 | -56.5 | 0 | 0 | 0 | 0 | 112.7 | Q414 T415 V416 V421 S422 | Q414-S418 PolarHBondContact O-N 3.03Å; Q414-S418 PolarHBondContact O-OG 3.21Å; T415-S418 PolarHBondContact O-N 3.09Å; V416-S418 VanDerWaalsContact C-N 3.34Å; V416-S418 PolarHBondContact O-N 3.5Å; S418-V421 VanDerWaalsContact O-CG2 3.3Å; S418-V421 WeakPolarHBondContact O-CG2 3.5Å; S418-S422 PolarHBondContact O-N 3.43Å |
| 419 | Y | 91.8 | Very high | 92.5 | Very high | 21 Ų | 21 | 32.5 Ų | 32.5 | 8% | 0.082 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.6 | -49 | 173.6 | 159.3 | -94.8 | 0 | 0 | 0 | 112 | E238 V398 L400 L405 T415 V416 A417 V421 S422 | E238-Y419 HydrophobicContact CG-CE1 4.22Å; E238-Y419 WeakPolarHBondContact OE1-CE1 3.41Å; E238-Y419 PolarHBondContact OE1-OH 2.71Å; E238-Y419 VanDerWaalsContact OE1-OH 3.08Å; V398-Y419 HydrophobicContact CG1-CD2 4.46Å; V398-Y419 WeakPolarHBondContact O-CD2 3.29Å; L400-Y419 HydrophobicContact CB-CD1 4.44Å; L400-Y419 HydrophobicContact CB-CD2 3.79Å; L400-Y419 HydrophobicContact CB-CE2 4.08Å; L400-Y419 HydrophobicContact CB-CG 4Å; L400-Y419 HydrophobicContact CD1-CD1 3.91Å; L400-Y419 HydrophobicContact CD1-CD2 4.17Å; L400-Y419 HydrophobicContact CD1-CG 3.55Å; L400-Y419 HydrophobicContact CG-CD1 4.44Å; L400-Y419 HydrophobicContact CG-CD2 3.83Å; L400-Y419 HydrophobicContact CG-CG 3.75Å; L405-Y419 HydrophobicContact CD1-CE1 4.3Å; L405-Y419 HydrophobicContact CD2-CD1 3.58Å; L405-Y419 HydrophobicContact CD2-CE1 3.39Å; L405-Y419 HydrophobicContact CG-CE1 4.46Å; T415-Y419 PolarHBondContact O-N 3.15Å; V416-Y419 PolarHBondContact O-N 2.95Å; A417-Y419 VanDerWaalsContact C-N 3.33Å; A417-Y419 PolarHBondContact O-N 3.07Å; Y419-V421 VanDerWaalsContact C-N 3.33Å; Y419-V421 PolarHBondContact O-N 3.39Å; Y419-S422 VanDerWaalsContact O-CB 3.25Å; Y419-S422 WeakPolarHBondContact O-CB 3.5Å; Y419-S422 PolarHBondContact O-N 3.17Å |
| 420 | S | 92.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.1 | -42.5 | -177.8 | 179.9 | 0 | 0 | 0 | 0 | 111.5 | S258 V416 A417 S422 D423 | S258-S420 WeakPolarHBondContact CB-O 3.1Å; S258-S420 WeakPolarHBondContact CB-OG 3.3Å; S258-S420 PolarHBondContact OG-O 2.91Å; S258-S420 PolarHBondContact OG-OG 3.47Å; V416-S420 PolarHBondContact O-N 3.47Å; A417-S420 PolarHBondContact O-N 3.44Å; S420-S422 VanDerWaalsContact C-N 3.29Å; S420-S422 PolarHBondContact O-N 2.71Å; S420-D423 PolarHBondContact O-N 3.01Å |
| 421 | V | 94.7 | Very high | 93 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -69.4 | -27.5 | 177.1 | -59.4 | 0 | 0 | 0 | 0 | 113.1 | L267 F281 Y283 F293 A417 S418 Y419 D423 A424 V425 | L267-V421 HydrophobicContact CB-CG1 4.11Å; L267-V421 HydrophobicContact CD1-CG1 4.15Å; L267-V421 HydrophobicContact CD2-CG1 3.96Å; L267-V421 HydrophobicContact CG-CG1 4.32Å; F281-V421 HydrophobicContact CE1-CG1 4.45Å; F281-V421 HydrophobicContact CE2-CG2 3.59Å; F281-V421 HydrophobicContact CZ-CB 4.29Å; F281-V421 HydrophobicContact CZ-CG1 3.74Å; F281-V421 HydrophobicContact CZ-CG2 3.58Å; Y283-V421 HydrophobicContact CD1-CG2 4.36Å; Y283-V421 HydrophobicContact CG-CG2 4.06Å; F293-V421 HydrophobicContact CD1-CB 3.84Å; F293-V421 HydrophobicContact CD1-CG1 3.34Å; F293-V421 HydrophobicContact CD2-CB 4Å; F293-V421 HydrophobicContact CD2-CG1 4.16Å; F293-V421 HydrophobicContact CD2-CG2 4.18Å; F293-V421 HydrophobicContact CE1-CB 3.56Å; F293-V421 HydrophobicContact CE1-CG1 3.49Å; F293-V421 VanDerWaalsContact CE1-CG1 3.49Å; F293-V421 HydrophobicContact CE2-CB 3.73Å; F293-V421 HydrophobicContact CE2-CG1 4.3Å; F293-V421 HydrophobicContact CE2-CG2 4.11Å; F293-V421 HydrophobicContact CG-CB 4.09Å; F293-V421 HydrophobicContact CG-CG1 3.74Å; F293-V421 HydrophobicContact CZ-CB 3.53Å; F293-V421 HydrophobicContact CZ-CG1 4.01Å; F293-V421 HydrophobicContact CZ-CG2 4.39Å; A417-V421 WeakPolarHBondContact O-CG1 3.48Å; A417-V421 WeakPolarHBondContact O-CG2 3.36Å; A417-V421 PolarHBondContact O-N 3.43Å; S418-V421 VanDerWaalsContact O-CG2 3.3Å; S418-V421 WeakPolarHBondContact O-CG2 3.5Å; Y419-V421 VanDerWaalsContact C-N 3.33Å; Y419-V421 PolarHBondContact O-N 3.39Å; V421-D423 PolarHBondContact O-N 3.18Å; V421-A424 PolarHBondContact O-N 3.04Å; V421-V425 WeakPolarHBondContact O-CG2 3.49Å; V421-V425 PolarHBondContact O-N 2.88Å |
| 422 | S | 93.3 | Very high | 93 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.4 | -32.6 | 177.3 | 179.7 | 0 | 0 | 0 | 0 | 112.4 | Y283 P397 V398 S418 Y419 S420 A426 | Y283-S422 VanDerWaalsContact CE1-CA 3.46Å; Y283-S422 WeakPolarHBondContact OH-CB 3.42Å; Y283-S422 PolarHBondContact OH-OG 3.38Å; P397-S422 WeakPolarHBondContact CB-OG 3.46Å; V398-S422 PolarHBondContact N-OG 2.9Å; S418-S422 PolarHBondContact O-N 3.43Å; Y419-S422 VanDerWaalsContact O-CB 3.25Å; Y419-S422 WeakPolarHBondContact O-CB 3.5Å; Y419-S422 PolarHBondContact O-N 3.17Å; S420-S422 VanDerWaalsContact C-N 3.29Å; S420-S422 PolarHBondContact O-N 2.71Å; S422-A426 VanDerWaalsContact O-CB 3.27Å; S422-A426 WeakPolarHBondContact O-CB 3.46Å; S422-A426 PolarHBondContact O-N 3.2Å |
| 423 | D | 91.7 | Very high | 92.8 | Very high | 8 Ų | 8 | 18 Ų | 18 | 4% | 0.043 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -79 | -36 | -179.5 | -78.1 | -30.6 | 0 | 0 | 0 | 113 | D236 L385 K386 S420 V421 A426 T427 | D236-D423 HydrophobicContact CB-CB 4.23Å; L385-D423 HydrophobicContact CD2-CB 3.64Å; L385-D423 WeakPolarHBondContact CD2-OD1 3.38Å; K386-D423 WeakPolarHBondContact CE-OD1 3.24Å; K386-D423 VanDerWaalsContact CE-OD2 3.26Å; K386-D423 WeakPolarHBondContact CE-OD2 3.46Å; K386-D423 IonicContact NZ-OD1 3.72Å; K386-D423 PolarHBondContact NZ-OD1 3.23Å; K386-D423 IonicContact NZ-OD2 2.67Å; K386-D423 PolarHBondContact NZ-OD2 3.43Å; S420-D423 PolarHBondContact O-N 3.01Å; V421-D423 PolarHBondContact O-N 3.18Å; D423-A426 PolarHBondContact O-N 3.37Å; D423-T427 VanDerWaalsContact O-CB 3.23Å; D423-T427 WeakPolarHBondContact O-CB 3.26Å; D423-T427 PolarHBondContact O-N 3.42Å; D423-T427 PolarHBondContact O-OG1 3.33Å |
| 424 | A | 93.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.6 | -45.4 | 168 | 0 | 0 | 0 | 0 | 0 | 111.6 | S258 M260 V421 T427 Y428 | S258-A424 WeakPolarHBondContact OG-CB 3.44Å; M260-A424 HydrophobicContact CG-CB 4.35Å; V421-A424 PolarHBondContact O-N 3.04Å; A424-T427 PolarHBondContact O-N 2.69Å; A424-Y428 VanDerWaalsContact O-CB 3.29Å; A424-Y428 WeakPolarHBondContact O-CB 3.32Å; A424-Y428 PolarHBondContact O-N 3.28Å |
| 425 | V | 95.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.8 | -49 | 176.3 | 172.4 | 0 | 0 | 0 | 0 | 111.7 | M260 Y283 P285 F293 V421 T427 Y428 Y429 | M260-V425 HydrophobicContact CE-CG2 4.35Å; M260-V425 VanDerWaalsContact SD-CA 3.55Å; M260-V425 HydrophobicContact SD-CB 4.15Å; M260-V425 HydrophobicContact SD-CG2 3.71Å; Y283-V425 HydrophobicContact CD1-CB 4.24Å; Y283-V425 HydrophobicContact CD1-CG1 4.43Å; Y283-V425 HydrophobicContact CD1-CG2 3.94Å; Y283-V425 HydrophobicContact CE1-CB 4.31Å; Y283-V425 HydrophobicContact CE1-CG1 4.39Å; P285-V425 HydrophobicContact CG-CG1 4.32Å; F293-V425 HydrophobicContact CE2-CG2 3.7Å; F293-V425 HydrophobicContact CZ-CG2 3.64Å; V421-V425 WeakPolarHBondContact O-CG2 3.49Å; V421-V425 PolarHBondContact O-N 2.88Å; V425-T427 PolarHBondContact O-N 3.36Å; V425-Y428 PolarHBondContact O-N 3.48Å; V425-Y429 HydrophobicContact CG1-CD2 3.7Å; V425-Y429 HydrophobicContact CG1-CE2 3.88Å; V425-Y429 VanDerWaalsContact O-CD2 3.27Å; V425-Y429 WeakPolarHBondContact O-CD2 3.44Å; V425-Y429 PolarHBondContact O-N 3.24Å |
| 426 | A | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -58.2 | -47.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L385 T389 S422 D423 L430 | L385-A426 HydrophobicContact CD1-CB 3.78Å; L385-A426 HydrophobicContact CD2-CB 4.39Å; L385-A426 HydrophobicContact CG-CB 4.09Å; T389-A426 HydrophobicContact CG2-CB 4.14Å; T389-A426 WeakPolarHBondContact OG1-CB 3.36Å; S422-A426 VanDerWaalsContact O-CB 3.27Å; S422-A426 WeakPolarHBondContact O-CB 3.46Å; S422-A426 PolarHBondContact O-N 3.2Å; D423-A426 PolarHBondContact O-N 3.37Å; A426-L430 VanDerWaalsContact O-CB 3.3Å; A426-L430 WeakPolarHBondContact O-CB 3.02Å; A426-L430 WeakPolarHBondContact O-CG 3.36Å; A426-L430 PolarHBondContact O-N 3.28Å |
| 427 | T | 95.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.5 | -46.2 | -179.3 | -63.6 | 0 | 0 | 0 | 0 | 111.5 | A234 V321 V368 L385 D423 A424 V425 Y431 | A234-T427 HydrophobicContact CB-CG2 4.34Å; V321-T427 HydrophobicContact CG1-CG2 3.74Å; V368-T427 HydrophobicContact CG2-CG2 4.47Å; L385-T427 WeakPolarHBondContact CD2-OG1 3.44Å; D423-T427 VanDerWaalsContact O-CB 3.23Å; D423-T427 WeakPolarHBondContact O-CB 3.26Å; D423-T427 PolarHBondContact O-N 3.42Å; D423-T427 PolarHBondContact O-OG1 3.33Å; A424-T427 PolarHBondContact O-N 2.69Å; V425-T427 PolarHBondContact O-N 3.36Å; T427-Y431 WeakPolarHBondContact O-CB 3.3Å; T427-Y431 PolarHBondContact O-N 3.16Å; T427-Y431 VanDerWaalsContact O-N 3.08Å |
| 428 | Y | 96.7 | Very high | 92.8 | Very high | 17 Ų | 17 | 16.3 Ų | 16.3 | 7% | 0.067 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -57.7 | -53.3 | 177.1 | -177.7 | -101.5 | 0 | 0 | 0 | 111.7 | I232 A234 M260 G263 A424 V425 Y431 M432 | I232-Y428 HydrophobicContact CB-CE2 4.36Å; I232-Y428 HydrophobicContact CG2-CD2 4.31Å; I232-Y428 HydrophobicContact CG2-CE2 3.98Å; A234-Y428 HydrophobicContact CB-CD2 3.9Å; A234-Y428 HydrophobicContact CB-CG 4.34Å; M260-Y428 HydrophobicContact CB-CD2 3.9Å; M260-Y428 HydrophobicContact CB-CG 3.95Å; M260-Y428 HydrophobicContact CE-CD1 4.25Å; M260-Y428 HydrophobicContact CG-CG 4.43Å; M260-Y428 VanDerWaalsContact SD-CB 3.55Å; M260-Y428 HydrophobicContact SD-CD1 3.78Å; M260-Y428 HydrophobicContact SD-CG 3.72Å; G263-Y428 PolarHBondContact N-OH 3.35Å; A424-Y428 VanDerWaalsContact O-CB 3.29Å; A424-Y428 WeakPolarHBondContact O-CB 3.32Å; A424-Y428 PolarHBondContact O-N 3.28Å; V425-Y428 PolarHBondContact O-N 3.48Å; Y428-Y431 WeakPolarHBondContact O-CB 3.39Å; Y428-Y431 PolarHBondContact O-N 3.49Å; Y428-M432 HydrophobicContact CD1-CG 4.2Å; Y428-M432 HydrophobicContact CD2-CG 4.43Å; Y428-M432 HydrophobicContact CE1-CG 3.79Å; Y428-M432 HydrophobicContact CE2-CG 4.04Å; Y428-M432 HydrophobicContact CG-CG 4.49Å; Y428-M432 WeakPolarHBondContact O-CG 3.44Å; Y428-M432 PolarHBondContact O-N 3.38Å |
| 429 | Y | 95.4 | Very high | 93 | Very high | 31 Ų | 31 | 14.8 Ų | 14.8 | 12% | 0.122 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -74.2 | -29.3 | -175.8 | -75.2 | -65.3 | 0 | 0 | 0 | 113.7 | M260 F289 E290 V425 Y431 T433 | M260-Y429 HydrophobicContact CE-CE2 4.38Å; M260-Y429 HydrophobicContact SD-CE2 4.45Å; F289-Y429 HydrophobicContact CB-CD2 3.84Å; F289-Y429 HydrophobicContact CB-CE2 3.75Å; F289-Y429 HydrophobicContact CB-CG 4.36Å; F289-Y429 AromaticContact CD1-CD1 3.58Å; F289-Y429 HydrophobicContact CD1-CD1 3.58Å; F289-Y429 AromaticContact CD1-CD2 3.93Å; F289-Y429 HydrophobicContact CD1-CD2 3.93Å; F289-Y429 AromaticContact CD1-CE1 3.99Å; F289-Y429 HydrophobicContact CD1-CE1 3.99Å; F289-Y429 HydrophobicContact CD1-CE2 4.32Å; F289-Y429 AromaticContact CD1-CG 3.55Å; F289-Y429 HydrophobicContact CD1-CG 3.55Å; F289-Y429 HydrophobicContact CE1-CD1 4.17Å; F289-Y429 HydrophobicContact CE1-CG 4.22Å; F289-Y429 HydrophobicContact CG-CD2 4.17Å; F289-Y429 HydrophobicContact CG-CE2 4.46Å; F289-Y429 HydrophobicContact CG-CG 4.22Å; E290-Y429 PolarHBondContact N-OH 3.38Å; E290-Y429 VanDerWaalsContact N-OH 3.16Å; E290-Y429 PolarHBondContact O-OH 3.13Å; V425-Y429 HydrophobicContact CG1-CD2 3.7Å; V425-Y429 HydrophobicContact CG1-CE2 3.88Å; V425-Y429 VanDerWaalsContact O-CD2 3.27Å; V425-Y429 WeakPolarHBondContact O-CD2 3.44Å; V425-Y429 PolarHBondContact O-N 3.24Å; Y429-Y431 VanDerWaalsContact C-N 3.31Å; Y429-T433 WeakPolarHBondContact O-CB 3.41Å; Y429-T433 PolarHBondContact O-N 3Å; Y429-T433 PolarHBondContact O-OG1 2.94Å |
| 430 | L | 94 | Very high | 93 | Very high | 1 Ų | 1 | 13.9 Ų | 13.9 | 1% | 0.005 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -61 | -44 | 169.1 | -79.5 | 172.6 | 0 | 0 | 0 | 110.8 | Y323 V368 L385 C388 K392 L393 A426 Y434 V435 | Y323-L430 HydrophobicContact CD2-CD1 4.39Å; Y323-L430 HydrophobicContact CE2-CD1 4.15Å; V368-L430 HydrophobicContact CG1-CB 4.17Å; L385-L430 HydrophobicContact CD1-CD1 3.58Å; C388-L430 HydrophobicContact CB-CD1 4.41Å; K392-L430 HydrophobicContact CB-CD2 3.7Å; K392-L430 HydrophobicContact CG-CD2 4.31Å; L393-L430 HydrophobicContact CD1-CD2 4.28Å; L393-L430 HydrophobicContact CD1-CG 3.99Å; L393-L430 HydrophobicContact CD2-CD2 4.34Å; L393-L430 HydrophobicContact CG-CD2 3.96Å; L393-L430 HydrophobicContact CG-CG 4.24Å; A426-L430 VanDerWaalsContact O-CB 3.3Å; A426-L430 WeakPolarHBondContact O-CB 3.02Å; A426-L430 WeakPolarHBondContact O-CG 3.36Å; A426-L430 PolarHBondContact O-N 3.28Å; L430-Y434 HydrophobicContact CD2-CD2 4.45Å; L430-Y434 WeakPolarHBondContact O-CB 3.27Å; L430-Y434 PolarHBondContact O-N 2.95Å; L430-Y434 VanDerWaalsContact O-N 3.1Å; L430-V435 PolarHBondContact O-N 3.12Å |
| 431 | Y | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.066 | C | C | . | . | I | π-helix | trans | -63.9 | -55.1 | 177.1 | 176.1 | -101.6 | 0 | 0 | 0 | 111.9 | I232 I319 V321 M366 V368 T427 Y428 Y429 T433 V435 H436 | I232-Y431 HydrophobicContact CD1-CE1 3.97Å; I232-Y431 HydrophobicContact CG1-CE1 4.29Å; I232-Y431 HydrophobicContact CG2-CD1 4.05Å; I232-Y431 HydrophobicContact CG2-CE1 3.98Å; I319-Y431 WeakPolarHBondContact CD1-OH 3.11Å; I319-Y431 HydrophobicContact CG2-CE1 4.13Å; I319-Y431 HydrophobicContact CG2-CE2 4.43Å; V321-Y431 HydrophobicContact CB-CG 4.29Å; V321-Y431 HydrophobicContact CG1-CD1 4.5Å; V321-Y431 HydrophobicContact CG1-CD2 3.98Å; V321-Y431 HydrophobicContact CG1-CG 3.75Å; V321-Y431 HydrophobicContact CG2-CD1 3.47Å; V321-Y431 VanDerWaalsContact CG2-CD1 3.47Å; V321-Y431 HydrophobicContact CG2-CD2 3.82Å; V321-Y431 HydrophobicContact CG2-CE1 3.8Å; V321-Y431 HydrophobicContact CG2-CE2 4.18Å; V321-Y431 HydrophobicContact CG2-CG 3.49Å; V321-Y431 VanDerWaalsContact CG2-CG 3.49Å; M366-Y431 HydrophobicContact CB-CD2 3.87Å; M366-Y431 HydrophobicContact CB-CE2 3.46Å; M366-Y431 VanDerWaalsContact CB-CE2 3.46Å; M366-Y431 HydrophobicContact CG-CD2 4.38Å; M366-Y431 HydrophobicContact CG-CE2 3.47Å; M366-Y431 VanDerWaalsContact CG-CE2 3.47Å; M366-Y431 HydrophobicContact SD-CE2 4.37Å; V368-Y431 HydrophobicContact CG2-CD2 4.46Å; T427-Y431 WeakPolarHBondContact O-CB 3.3Å; T427-Y431 PolarHBondContact O-N 3.16Å; T427-Y431 VanDerWaalsContact O-N 3.08Å; Y428-Y431 WeakPolarHBondContact O-CB 3.39Å; Y428-Y431 PolarHBondContact O-N 3.49Å; Y429-Y431 VanDerWaalsContact C-N 3.31Å; Y431-T433 VanDerWaalsContact C-N 3.31Å; Y431-T433 PolarHBondContact O-N 2.93Å; Y431-V435 HydrophobicContact CD2-CB 3.67Å; Y431-V435 HydrophobicContact CD2-CG1 3.85Å; Y431-V435 HydrophobicContact CE2-CB 4.17Å; Y431-V435 HydrophobicContact CE2-CG1 4.02Å; Y431-V435 HydrophobicContact CG-CB 4.46Å; Y431-V435 PolarHBondContact O-N 2.79Å; Y431-H436 HydrophobicContact CD1-CB 4.06Å; Y431-H436 HydrophobicContact CE1-CB 3.56Å; Y431-H436 AromaticContact CE1-ND1 3.79Å; Y431-H436 HydrophobicContact CE2-CB 4Å; Y431-H436 VanDerWaalsContact CZ-CB 3.49Å; Y431-H436 AromaticContact CZ-CG 3.97Å; Y431-H436 AromaticContact CZ-ND1 3.64Å; Y431-H436 PolarHBondContact O-N 3.22Å; Y431-H436 PolarHBondContact OH-ND1 3.4Å |
| 432 | M | 91.3 | Very high | 92.9 | Very high | 67 Ų | 67 | 13.9 Ų | 13.9 | 33% | 0.33 | 7% | 0.066 | S | C | . | . | I | π-helix | trans | -60.4 | -39.6 | -176.9 | -71.6 | -57.1 | -74.7 | 0 | 0 | 112.8 | I232 Y428 P437 | I232-M432 HydrophobicContact CD1-CE 4.03Å; I232-M432 HydrophobicContact CD1-SD 3.29Å; I232-M432 WeakPolarHBondContact CD1-SD 3.34Å; Y428-M432 HydrophobicContact CD1-CG 4.2Å; Y428-M432 HydrophobicContact CD2-CG 4.43Å; Y428-M432 HydrophobicContact CE1-CG 3.79Å; Y428-M432 HydrophobicContact CE2-CG 4.04Å; Y428-M432 HydrophobicContact CG-CG 4.49Å; Y428-M432 WeakPolarHBondContact O-CG 3.44Å; Y428-M432 PolarHBondContact O-N 3.38Å; M432-P437 VanDerWaalsContact O-CD 3.3Å; M432-P437 WeakPolarHBondContact O-CD 3.24Å |
| 433 | T | 87.6 | Confident | 93 | Very high | 52 Ų | 52 | 13.9 Ų | 13.9 | 32% | 0.319 | 7% | 0.066 | S | C | . | . | I | π-helix | trans | -80.7 | -38 | -175 | -51.8 | 0 | 0 | 0 | 0 | 112.4 | Y429 Y431 | Y429-T433 WeakPolarHBondContact O-CB 3.41Å; Y429-T433 PolarHBondContact O-N 3Å; Y429-T433 PolarHBondContact O-OG1 2.94Å; Y431-T433 VanDerWaalsContact C-N 3.31Å; Y431-T433 PolarHBondContact O-N 2.93Å |
| 434 | Y | 88.1 | Confident | 92.9 | Very high | 77 Ų | 77 | 15 Ų | 15 | 30% | 0.302 | 7% | 0.073 | S | C | . | . | I | π-helix | trans | -120.9 | -45.5 | -168.6 | -64.6 | -72.9 | 0 | 0 | 0 | 114.5 | W371 K392 L393 L430 F438 | W371-Y434 HydrophobicContact CH2-CD1 4.39Å; W371-Y434 HydrophobicContact CH2-CG 4.08Å; K392-Y434 HydrophobicContact CB-CD2 4.21Å; K392-Y434 HydrophobicContact CB-CE2 3.69Å; K392-Y434 HydrophobicContact CD-CE2 4.39Å; K392-Y434 PolarHBondContact O-OH 2.98Å; L393-Y434 HydrophobicContact CD2-CD2 4.5Å; L393-Y434 HydrophobicContact CD2-CE2 3.97Å; L430-Y434 HydrophobicContact CD2-CD2 4.45Å; L430-Y434 WeakPolarHBondContact O-CB 3.27Å; L430-Y434 PolarHBondContact O-N 2.95Å; L430-Y434 VanDerWaalsContact O-N 3.1Å; Y434-F438 WeakPolarHBondContact O-CB 3.27Å |
| 435 | V | 92.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.076 | C | C | . | . | I | π-helix | trans | -81.9 | -49.2 | -169.7 | -173.4 | 0 | 0 | 0 | 0 | 111.4 | V368 W371 L430 Y431 F438 I439 | V368-V435 HydrophobicContact CG1-CG2 4.04Å; V368-V435 HydrophobicContact CG2-CG2 4.31Å; W371-V435 HydrophobicContact CB-CG1 4.04Å; W371-V435 HydrophobicContact CB-CG2 4Å; W371-V435 HydrophobicContact CD2-CG2 3.78Å; W371-V435 HydrophobicContact CE3-CG2 3.87Å; W371-V435 HydrophobicContact CG-CB 4.42Å; W371-V435 HydrophobicContact CG-CG1 4.16Å; W371-V435 HydrophobicContact CG-CG2 3.83Å; L430-V435 PolarHBondContact O-N 3.12Å; Y431-V435 HydrophobicContact CD2-CB 3.67Å; Y431-V435 HydrophobicContact CD2-CG1 3.85Å; Y431-V435 HydrophobicContact CE2-CB 4.17Å; Y431-V435 HydrophobicContact CE2-CG1 4.02Å; Y431-V435 HydrophobicContact CG-CB 4.46Å; Y431-V435 PolarHBondContact O-N 2.79Å; V435-F438 PolarHBondContact O-N 2.99Å; V435-I439 HydrophobicContact CG1-CG1 3.73Å; V435-I439 WeakPolarHBondContact O-CG1 3.3Å; V435-I439 PolarHBondContact O-N 2.96Å |
| 436 | H | 92.9 | Very high | 92.7 | Very high | 17 Ų | 17 | 15.6 Ų | 15.6 | 8% | 0.079 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -58.2 | -52.6 | -178.8 | 178.8 | 90.8 | 0 | 0 | 0 | 112.2 | R227 Y431 F438 F440 | R227-H436 PolarHBondContact NH1-O 3.02Å; Y431-H436 HydrophobicContact CD1-CB 4.06Å; Y431-H436 HydrophobicContact CE1-CB 3.56Å; Y431-H436 AromaticContact CE1-ND1 3.79Å; Y431-H436 HydrophobicContact CE2-CB 4Å; Y431-H436 VanDerWaalsContact CZ-CB 3.49Å; Y431-H436 AromaticContact CZ-CG 3.97Å; Y431-H436 AromaticContact CZ-ND1 3.64Å; Y431-H436 PolarHBondContact O-N 3.22Å; Y431-H436 PolarHBondContact OH-ND1 3.4Å; H436-F438 VanDerWaalsContact C-N 3.28Å; H436-F438 PolarHBondContact O-N 3.42Å; H436-F440 AromaticContact CE1-CD2 3.58Å; H436-F440 AromaticContact CE1-CE2 3.61Å; H436-F440 AromaticContact ND1-CD2 3.71Å; H436-F440 AromaticContact ND1-CE2 3.65Å; H436-F440 PolarHBondContact O-N 2.86Å |
| 437 | P | 89.6 | Confident | 92.7 | Very high | 12 Ų | 12 | 15.8 Ų | 15.8 | 8% | 0.078 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -49.4 | -50.6 | 172.2 | -30 | 36.7 | 0 | 0 | 0 | 112.3 | R227 M432 S441 I759 | R227-P437 PolarHBondContact NH1-O 3.46Å; R227-P437 PolarHBondContact NH2-O 3.37Å; M432-P437 VanDerWaalsContact O-CD 3.3Å; M432-P437 WeakPolarHBondContact O-CD 3.24Å; P437-S441 WeakPolarHBondContact O-CB 3.45Å; P437-S441 PolarHBondContact O-N 2.85Å; P437-S441 PolarHBondContact O-OG 3.31Å; P437-I759 HydrophobicContact CB-CG2 4.01Å; P437-I759 HydrophobicContact CG-CG2 3.73Å |
| 438 | F | 91.7 | Very high | 92.7 | Very high | 8 Ų | 8 | 16.2 Ų | 16.2 | 4% | 0.035 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -73 | -46.9 | -170.4 | 179.9 | -104 | 0 | 0 | 0 | 114.4 | W371 D375 Y434 V435 H436 S441 L442 I766 A767 C770 | W371-F438 AromaticContact CD1-CD1 3.44Å; W371-F438 VanDerWaalsContact CD1-CD1 3.44Å; W371-F438 AromaticContact CD1-CE1 3.85Å; W371-F438 AromaticContact NE1-CD1 3.11Å; W371-F438 AromaticContact NE1-CE1 3.64Å; W371-F438 AromaticContact NE1-CG 3.72Å; D375-F438 HydrophobicContact CB-CE1 3.82Å; D375-F438 HydrophobicContact CB-CZ 4.11Å; D375-F438 WeakPolarHBondContact OD2-CE1 3.36Å; Y434-F438 WeakPolarHBondContact O-CB 3.27Å; V435-F438 PolarHBondContact O-N 2.99Å; H436-F438 VanDerWaalsContact C-N 3.28Å; H436-F438 PolarHBondContact O-N 3.42Å; F438-S441 WeakPolarHBondContact O-CB 2.89Å; F438-S441 PolarHBondContact O-N 2.95Å; F438-L442 HydrophobicContact CD1-CD1 4.1Å; F438-L442 HydrophobicContact CE1-CD1 3.48Å; F438-L442 VanDerWaalsContact CE1-CD1 3.48Å; F438-L442 HydrophobicContact CE1-CG 4.4Å; F438-L442 HydrophobicContact CE2-CD1 4.37Å; F438-L442 HydrophobicContact CZ-CD1 3.65Å; F438-L442 HydrophobicContact CZ-CG 4.27Å; F438-L442 PolarHBondContact O-N 3.44Å; F438-I766 HydrophobicContact CD2-CB 4.3Å; F438-I766 HydrophobicContact CD2-CG2 3.92Å; F438-I766 HydrophobicContact CE2-CB 4.31Å; F438-I766 HydrophobicContact CE2-CG2 3.65Å; F438-A767 HydrophobicContact CE2-CB 4.33Å; F438-C770 HydrophobicContact CE2-CB 4.48Å; F438-C770 HydrophobicContact CZ-CB 4.2Å |
| 439 | I | 94.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -65.1 | -46.8 | -176.5 | -67.6 | -60.4 | 0 | 0 | 0 | 111 | M366 V435 S441 L442 C443 P450 V453 L454 | M366-I439 HydrophobicContact SD-CG2 4.3Å; V435-I439 HydrophobicContact CG1-CG1 3.73Å; V435-I439 WeakPolarHBondContact O-CG1 3.3Å; V435-I439 PolarHBondContact O-N 2.96Å; I439-S441 VanDerWaalsContact C-N 3.3Å; I439-S441 PolarHBondContact O-N 3.35Å; I439-L442 WeakPolarHBondContact O-CA 3.37Å; I439-L442 WeakPolarHBondContact O-CB 3.5Å; I439-L442 PolarHBondContact O-N 2.9Å; I439-C443 PolarHBondContact O-N 3.34Å; I439-C443 PolarHBondContact O-SG 3.03Å; I439-C443 VanDerWaalsContact O-SG 3.4Å; I439-P450 HydrophobicContact CG2-CB 3.92Å; I439-V453 HydrophobicContact CD1-CG1 4.42Å; I439-V453 HydrophobicContact CG2-CG1 4.24Å; I439-L454 HydrophobicContact CD1-CB 4.15Å; I439-L454 HydrophobicContact CD1-CD1 3.83Å; I439-L454 HydrophobicContact CG1-CD1 4.22Å |
| 440 | F | 93.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 0% | 0.004 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -68.8 | -29.6 | 177.9 | -77.2 | -74.2 | 0 | 0 | 0 | 112.6 | W33 I35 V202 I319 H436 L442 C443 T444 P450 | W33-F440 AromaticContact CH2-CD1 3.34Å; W33-F440 HydrophobicContact CH2-CD1 3.34Å; W33-F440 HydrophobicContact CH2-CD2 4.3Å; W33-F440 AromaticContact CH2-CE1 3.32Å; W33-F440 HydrophobicContact CH2-CE1 3.32Å; W33-F440 HydrophobicContact CH2-CE2 4.28Å; W33-F440 AromaticContact CH2-CG 3.86Å; W33-F440 HydrophobicContact CH2-CG 3.86Å; W33-F440 AromaticContact CH2-CZ 3.82Å; W33-F440 HydrophobicContact CH2-CZ 3.82Å; W33-F440 HydrophobicContact CZ2-CB 4.48Å; W33-F440 AromaticContact CZ2-CD1 3.73Å; W33-F440 HydrophobicContact CZ2-CD1 3.73Å; W33-F440 HydrophobicContact CZ2-CE1 4.16Å; W33-F440 HydrophobicContact CZ2-CG 4.14Å; W33-F440 HydrophobicContact CZ3-CD1 4.41Å; W33-F440 HydrophobicContact CZ3-CE1 4.01Å; W33-F440 HydrophobicContact CZ3-CZ 4.36Å; I35-F440 HydrophobicContact CG1-CE1 4.28Å; I35-F440 HydrophobicContact CG1-CZ 4.12Å; V202-F440 HydrophobicContact CG1-CD1 4.04Å; V202-F440 HydrophobicContact CG1-CE1 3.83Å; I319-F440 HydrophobicContact CD1-CE2 3.87Å; I319-F440 HydrophobicContact CD1-CZ 4.07Å; H436-F440 AromaticContact CE1-CD2 3.58Å; H436-F440 AromaticContact CE1-CE2 3.61Å; H436-F440 AromaticContact ND1-CD2 3.71Å; H436-F440 AromaticContact ND1-CE2 3.65Å; H436-F440 PolarHBondContact O-N 2.86Å; F440-L442 VanDerWaalsContact C-N 3.28Å; F440-L442 PolarHBondContact O-N 2.84Å; F440-C443 WeakPolarHBondContact O-CB 3.07Å; F440-C443 PolarHBondContact O-N 3.16Å; F440-T444 WeakPolarHBondContact O-CG2 3.31Å; F440-T444 PolarHBondContact O-N 3.08Å; F440-T444 VanDerWaalsContact O-N 3.08Å; F440-P450 HydrophobicContact CE1-CB 4.17Å; F440-P450 HydrophobicContact CE1-CG 4.2Å; F440-P450 HydrophobicContact CZ-CB 4.22Å; F440-P450 HydrophobicContact CZ-CG 4.25Å |
| 441 | S | 92.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.7 | -31.2 | 168.2 | -80.5 | 0 | 0 | 0 | 0 | 113.2 | R227 P437 F438 I439 T444 I445 S763 L764 | R227-S441 PolarHBondContact NH2-OG 3.4Å; P437-S441 WeakPolarHBondContact O-CB 3.45Å; P437-S441 PolarHBondContact O-N 2.85Å; P437-S441 PolarHBondContact O-OG 3.31Å; F438-S441 WeakPolarHBondContact O-CB 2.89Å; F438-S441 PolarHBondContact O-N 2.95Å; I439-S441 VanDerWaalsContact C-N 3.3Å; I439-S441 PolarHBondContact O-N 3.35Å; S441-T444 PolarHBondContact O-OG1 3.37Å; S441-I445 WeakPolarHBondContact O-CD1 3.1Å; S441-I445 WeakPolarHBondContact O-CG1 3.41Å; S441-S763 PolarHBondContact OG-OG 3.37Å; S441-S763 VanDerWaalsContact OG-OG 3.12Å; S441-L764 WeakPolarHBondContact OG-CD2 3.32Å |
| 442 | L | 93 | Very high | 92.6 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -73.5 | -39.8 | 171 | -75 | 171.3 | 0 | 0 | 0 | 111.1 | F438 I439 F440 T444 I445 I446 V453 L461 A767 I771 | F438-L442 HydrophobicContact CD1-CD1 4.1Å; F438-L442 HydrophobicContact CE1-CD1 3.48Å; F438-L442 VanDerWaalsContact CE1-CD1 3.48Å; F438-L442 HydrophobicContact CE1-CG 4.4Å; F438-L442 HydrophobicContact CE2-CD1 4.37Å; F438-L442 HydrophobicContact CZ-CD1 3.65Å; F438-L442 HydrophobicContact CZ-CG 4.27Å; F438-L442 PolarHBondContact O-N 3.44Å; I439-L442 WeakPolarHBondContact O-CA 3.37Å; I439-L442 WeakPolarHBondContact O-CB 3.5Å; I439-L442 PolarHBondContact O-N 2.9Å; F440-L442 VanDerWaalsContact C-N 3.28Å; F440-L442 PolarHBondContact O-N 2.84Å; L442-T444 PolarHBondContact O-N 3.5Å; L442-I445 WeakPolarHBondContact O-CA 3.47Å; L442-I445 WeakPolarHBondContact O-CB 3.41Å; L442-I445 PolarHBondContact O-N 2.67Å; L442-I446 WeakPolarHBondContact O-CB 3.49Å; L442-I446 WeakPolarHBondContact O-CG1 3.44Å; L442-I446 PolarHBondContact O-N 3.19Å; L442-V453 HydrophobicContact CB-CG1 3.47Å; L442-V453 VanDerWaalsContact CB-CG1 3.47Å; L442-V453 HydrophobicContact CD1-CG1 3.94Å; L442-V453 HydrophobicContact CG-CG1 4.38Å; L442-L461 HydrophobicContact CD1-CD1 4.35Å; L442-A767 HydrophobicContact CD2-CB 3.83Å; L442-A767 HydrophobicContact CG-CB 4Å; L442-I771 HydrophobicContact CD2-CD1 4.16Å; L442-I771 HydrophobicContact CD2-CG1 4.08Å |
| 443 | C | 94.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -59.1 | -33 | 176.3 | -67 | 0 | 0 | 0 | 0 | 112.8 | V202 I439 F440 I445 | V202-C443 HydrophobicContact CB-CB 3.99Å; V202-C443 HydrophobicContact CG1-CB 3.95Å; V202-C443 CarbonylContact O-C 3.54Å; V202-C443 VanDerWaalsContact O-CB 3.23Å; V202-C443 WeakPolarHBondContact O-CB 3.48Å; V202-C443 VanDerWaalsContact O-O 3.08Å; I439-C443 PolarHBondContact O-N 3.34Å; I439-C443 PolarHBondContact O-SG 3.03Å; I439-C443 VanDerWaalsContact O-SG 3.4Å; F440-C443 WeakPolarHBondContact O-CB 3.07Å; F440-C443 PolarHBondContact O-N 3.16Å; C443-I445 PolarHBondContact O-N 3.09Å |
| 444 | T | 91 | Very high | 93.1 | Very high | 31 Ų | 31 | 10.8 Ų | 10.8 | 19% | 0.19 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -11.7 | 174.9 | 62.7 | 0 | 0 | 0 | 0 | 114.3 | V202 G203 M204 F440 S441 L442 | V202-T444 PolarHBondContact O-N 3.27Å; G203-T444 WeakPolarHBondContact O-CG2 3.41Å; M204-T444 HydrophobicContact CG-CG2 3.95Å; F440-T444 WeakPolarHBondContact O-CG2 3.31Å; F440-T444 PolarHBondContact O-N 3.08Å; F440-T444 VanDerWaalsContact O-N 3.08Å; S441-T444 PolarHBondContact O-OG1 3.37Å; L442-T444 PolarHBondContact O-N 3.5Å |
| 445 | I | 89 | Confident | 93.3 | Very high | 13 Ų | 13 | 9 Ų | 9 | 7% | 0.067 | 4% | 0.044 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | -39.7 | -174.1 | -55.6 | 175.2 | 0 | 0 | 0 | 110.7 | S441 L442 C443 L465 F721 A767 H768 | S441-I445 WeakPolarHBondContact O-CD1 3.1Å; S441-I445 WeakPolarHBondContact O-CG1 3.41Å; L442-I445 WeakPolarHBondContact O-CA 3.47Å; L442-I445 WeakPolarHBondContact O-CB 3.41Å; L442-I445 PolarHBondContact O-N 2.67Å; C443-I445 PolarHBondContact O-N 3.09Å; I445-L465 HydrophobicContact CG2-CD1 4.28Å; I445-F721 HydrophobicContact CD1-CE1 4.39Å; I445-F721 HydrophobicContact CG2-CE1 3.43Å; I445-F721 VanDerWaalsContact CG2-CE1 3.43Å; I445-F721 HydrophobicContact CG2-CZ 3.25Å; I445-A767 HydrophobicContact CD1-CB 4.24Å; I445-H768 WeakPolarHBondContact CD1-CE1 3.36Å |
| 446 | I | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 5% | 0.054 | C | C | . | . | S | Bend | trans | -100.7 | 131.4 | -172.2 | -56 | -51.7 | 0 | 0 | 0 | 109.3 | L442 M448 V453 L461 A464 L465 I771 | L442-I446 WeakPolarHBondContact O-CB 3.49Å; L442-I446 WeakPolarHBondContact O-CG1 3.44Å; L442-I446 PolarHBondContact O-N 3.19Å; I446-M448 HydrophobicContact CG2-CB 4Å; I446-M448 HydrophobicContact CG2-CG 3.93Å; I446-M448 HydrophobicContact CG2-SD 3.89Å; I446-M448 PolarHBondContact O-N 3.49Å; I446-V453 HydrophobicContact CB-CG2 4.38Å; I446-V453 HydrophobicContact CG2-CG2 4.31Å; I446-L461 HydrophobicContact CD1-CB 4.01Å; I446-L461 VanDerWaalsContact CD1-O 3.28Å; I446-L461 WeakPolarHBondContact CD1-O 3.32Å; I446-L461 HydrophobicContact CG1-CB 4.11Å; I446-L461 HydrophobicContact CG1-CD2 4.46Å; I446-L461 HydrophobicContact CG2-CD2 3.95Å; I446-A464 HydrophobicContact CG2-CB 4.01Å; I446-L465 HydrophobicContact CD1-CB 4.1Å; I446-I771 HydrophobicContact CD1-CD1 4.12Å |
| 447 | P | 95.6 | Very high | 93 | Very high | 4 Ų | 4 | 12 Ų | 12 | 3% | 0.026 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -75.5 | 52.9 | -178.9 | 34.3 | -40.5 | 0 | 0 | 0 | 112.7 | V192 A195 I196 F201 A464 V468 | V192-P447 HydrophobicContact CG1-CB 4.38Å; V192-P447 HydrophobicContact CG1-CG 4Å; A195-P447 HydrophobicContact CB-CB 3.72Å; I196-P447 HydrophobicContact CG1-CB 4.08Å; I196-P447 HydrophobicContact CG1-CG 3.99Å; F201-P447 HydrophobicContact CD1-CB 4.04Å; F201-P447 HydrophobicContact CE1-CB 3.61Å; F201-P447 HydrophobicContact CZ-CB 4.25Å; P447-A464 HydrophobicContact CG-CB 4Å; P447-V468 HydrophobicContact CB-CG2 4.11Å; P447-V468 HydrophobicContact CG-CG2 3.71Å |
| 448 | M | 95.9 | Very high | 92.9 | Very high | 9 Ų | 9 | 12.8 Ų | 12.8 | 4% | 0.044 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -144.1 | 153.7 | -175.5 | -66.5 | 174 | -176.1 | 0 | 0 | 111.2 | V192 I446 E452 V453 K456 L461 A464 | V192-M448 HydrophobicContact CG2-CE 4.27Å; V192-M448 HydrophobicContact CG2-CG 4.03Å; I446-M448 HydrophobicContact CG2-CB 4Å; I446-M448 HydrophobicContact CG2-CG 3.93Å; I446-M448 HydrophobicContact CG2-SD 3.89Å; I446-M448 PolarHBondContact O-N 3.49Å; M448-E452 HydrophobicContact CB-CB 4.23Å; M448-E452 WeakPolarHBondContact CG-OE2 3.4Å; M448-V453 HydrophobicContact CB-CG2 3.8Å; M448-K456 HydrophobicContact CE-CD 4.16Å; M448-K456 HydrophobicContact SD-CD 3.57Å; M448-K456 VanDerWaalsContact SD-CD 3.57Å; M448-L461 HydrophobicContact SD-CD2 4.31Å; M448-A464 HydrophobicContact CE-CB 3.61Å |
| 449 | E | 94.4 | Very high | 92.8 | Very high | 16 Ų | 16 | 12.5 Ų | 12.5 | 8% | 0.075 | 7% | 0.071 | C | C | . | . | trans | -73.1 | 159.8 | 175.3 | 76.1 | -86.6 | -161.1 | 0 | 0 | 112.4 | N36 H191 D451 E452 V453 | N36-E449 WeakPolarHBondContact OD1-CB 3.4Å; H191-E449 IonicContact CD2-OE2 3.33Å; H191-E449 PolarHBondContact CD2-OE2 2.9Å; H191-E449 IonicContact CE1-OE2 3.86Å; H191-E449 IonicContact NE2-OE1 3.56Å; H191-E449 IonicContact NE2-OE2 2.62Å; H191-E449 PolarHBondContact NE2-OE2 3.15Å; E449-D451 VanDerWaalsContact C-N 3.3Å; E449-D451 PolarHBondContact O-N 3.33Å; E449-E452 HydrophobicContact CG-CB 4.42Å; E449-E452 HydrophobicContact CG-CG 4.33Å; E449-E452 PolarHBondContact O-N 3.46Å; E449-E452 VanDerWaalsContact O-N 3.12Å; E449-E452 WeakPolarHBondContact OE1-CG 3.14Å; E449-V453 WeakPolarHBondContact O-CG2 3.07Å; E449-V453 PolarHBondContact O-N 2.91Å | ||
| 450 | P | 95.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -67.8 | -31.5 | -166.2 | 27.9 | -30.5 | 0 | 0 | 0 | 112.2 | M366 I439 F440 E452 V453 L454 | M366-P450 HydrophobicContact CE-CB 3.66Å; M366-P450 HydrophobicContact CE-CG 4.01Å; I439-P450 HydrophobicContact CG2-CB 3.92Å; F440-P450 HydrophobicContact CE1-CB 4.17Å; F440-P450 HydrophobicContact CE1-CG 4.2Å; F440-P450 HydrophobicContact CZ-CB 4.22Å; F440-P450 HydrophobicContact CZ-CG 4.25Å; P450-E452 VanDerWaalsContact C-N 3.35Å; P450-E452 PolarHBondContact O-N 3.21Å; P450-V453 PolarHBondContact O-N 3.49Å; P450-L454 WeakPolarHBondContact O-CB 3.45Å; P450-L454 PolarHBondContact O-N 2.95Å |
| 451 | D | 94 | Very high | 92.7 | Very high | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.011 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -59.8 | -41.4 | 174 | -78.5 | -76.6 | 0 | 0 | 0 | 112.9 | K359 S364 H365 E449 R455 | K359-D451 HydrophobicContact CD-CB 4.43Å; S364-D451 WeakPolarHBondContact CA-OD2 3.17Å; S364-D451 WeakPolarHBondContact CB-OD2 3.41Å; H365-D451 PolarHBondContact N-OD1 3.42Å; H365-D451 VanDerWaalsContact N-OD1 3.08Å; E449-D451 VanDerWaalsContact C-N 3.3Å; E449-D451 PolarHBondContact O-N 3.33Å; D451-R455 VanDerWaalsContact O-CG 3.28Å; D451-R455 WeakPolarHBondContact O-CG 3.35Å; D451-R455 PolarHBondContact O-N 2.84Å; D451-R455 PolarHBondContact O-NH1 2.78Å; D451-R455 VanDerWaalsContact O-NH1 3.17Å; D451-R455 IonicContact OD1-CZ 3.68Å; D451-R455 IonicContact OD1-NH1 2.9Å; D451-R455 PolarHBondContact OD1-NH1 3.35Å; D451-R455 IonicContact OD1-NH2 2.92Å |
| 452 | E | 93.7 | Very high | 92.8 | Very high | 34 Ų | 34 | 15 Ų | 15 | 16% | 0.159 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -74.4 | -41.6 | 176.4 | -80.7 | -166.9 | 148.4 | 0 | 0 | 111.6 | H191 M448 E449 P450 L454 R455 K456 | H191-E452 IonicContact CE1-OE1 3.79Å; H191-E452 IonicContact NE2-OE1 3.37Å; H191-E452 IonicContact NE2-OE2 3.23Å; H191-E452 PolarHBondContact NE2-OE2 2.95Å; M448-E452 HydrophobicContact CB-CB 4.23Å; M448-E452 WeakPolarHBondContact CG-OE2 3.4Å; E449-E452 HydrophobicContact CG-CB 4.42Å; E449-E452 HydrophobicContact CG-CG 4.33Å; E449-E452 PolarHBondContact O-N 3.46Å; E449-E452 VanDerWaalsContact O-N 3.12Å; E449-E452 WeakPolarHBondContact OE1-CG 3.14Å; P450-E452 VanDerWaalsContact C-N 3.35Å; P450-E452 PolarHBondContact O-N 3.21Å; E452-L454 VanDerWaalsContact C-N 3.26Å; E452-L454 PolarHBondContact O-N 2.72Å; E452-R455 PolarHBondContact O-N 2.79Å; E452-R455 VanDerWaalsContact O-N 3.13Å; E452-K456 HydrophobicContact CB-CD 4.21Å; E452-K456 WeakPolarHBondContact O-CB 3.41Å; E452-K456 WeakPolarHBondContact O-CG 3.32Å; E452-K456 PolarHBondContact O-N 2.82Å; E452-K456 IonicContact OE1-NZ 3.56Å; E452-K456 PolarHBondContact OE1-NZ 2.96Å; E452-K456 IonicContact OE2-NZ 2.96Å; E452-K456 PolarHBondContact OE2-NZ 3.18Å |
| 453 | V | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.3 | -34.4 | 178.2 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | R374 I439 L442 I446 M448 E449 P450 | R374-V453 PolarHBondContact NH1-O 2.83Å; R374-V453 PolarHBondContact NH2-O 2.77Å; I439-V453 HydrophobicContact CD1-CG1 4.42Å; I439-V453 HydrophobicContact CG2-CG1 4.24Å; L442-V453 HydrophobicContact CB-CG1 3.47Å; L442-V453 VanDerWaalsContact CB-CG1 3.47Å; L442-V453 HydrophobicContact CD1-CG1 3.94Å; L442-V453 HydrophobicContact CG-CG1 4.38Å; I446-V453 HydrophobicContact CB-CG2 4.38Å; I446-V453 HydrophobicContact CG2-CG2 4.31Å; M448-V453 HydrophobicContact CB-CG2 3.8Å; E449-V453 WeakPolarHBondContact O-CG2 3.07Å; E449-V453 PolarHBondContact O-N 2.91Å; P450-V453 PolarHBondContact O-N 3.49Å |
| 454 | L | 94.6 | Very high | 92.9 | Very high | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -67.8 | -37.7 | 174.3 | 177.9 | 62.8 | 0 | 0 | 0 | 112.4 | M366 R370 W371 R374 I439 P450 E452 | M366-L454 HydrophobicContact SD-CD2 4.03Å; R370-L454 HydrophobicContact CB-CD1 3.91Å; R370-L454 HydrophobicContact CB-CD2 4.32Å; R370-L454 HydrophobicContact CB-CG 3.81Å; W371-L454 HydrophobicContact CB-CD1 3.8Å; R374-L454 PolarHBondContact NH1-O 2.82Å; I439-L454 HydrophobicContact CD1-CB 4.15Å; I439-L454 HydrophobicContact CD1-CD1 3.83Å; I439-L454 HydrophobicContact CG1-CD1 4.22Å; P450-L454 WeakPolarHBondContact O-CB 3.45Å; P450-L454 PolarHBondContact O-N 2.95Å; E452-L454 VanDerWaalsContact C-N 3.26Å; E452-L454 PolarHBondContact O-N 2.72Å |
| 455 | R | 91.6 | Very high | 93.1 | Very high | 39 Ų | 39 | 14.3 Ų | 14.3 | 15% | 0.147 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -99.4 | -24.9 | -166.4 | -63.4 | -178.2 | 175.8 | 85.2 | -6 | 114.7 | D326 E357 H365 R370 D451 E452 | D326-R455 IonicContact OD1-NH2 4Å; D326-R455 PolarHBondContact OD1-NH2 2.83Å; D326-R455 IonicContact OD2-CZ 3.52Å; D326-R455 IonicContact OD2-NE 3.42Å; D326-R455 PolarHBondContact OD2-NE 2.8Å; D326-R455 VanDerWaalsContact OD2-NE 3.09Å; D326-R455 IonicContact OD2-NH2 3.16Å; D326-R455 PolarHBondContact OD2-NH2 2.95Å; E357-R455 WeakPolarHBondContact OE1-CD 3.22Å; E357-R455 WeakPolarHBondContact OE2-CD 3.33Å; E357-R455 IonicContact OE2-NE 3.67Å; H365-R455 PolarHBondContact ND1-NH2 2.85Å; H365-R455 VanDerWaalsContact ND1-NH2 3.17Å; H365-R455 PolarHBondContact O-NH1 3.39Å; H365-R455 PolarHBondContact O-NH2 2.88Å; R370-R455 HydrophobicContact CG-CG 4.39Å; D451-R455 VanDerWaalsContact O-CG 3.28Å; D451-R455 WeakPolarHBondContact O-CG 3.35Å; D451-R455 PolarHBondContact O-N 2.84Å; D451-R455 PolarHBondContact O-NH1 2.78Å; D451-R455 VanDerWaalsContact O-NH1 3.17Å; D451-R455 IonicContact OD1-CZ 3.68Å; D451-R455 IonicContact OD1-NH1 2.9Å; D451-R455 PolarHBondContact OD1-NH1 3.35Å; D451-R455 IonicContact OD1-NH2 2.92Å; E452-R455 PolarHBondContact O-N 2.79Å; E452-R455 VanDerWaalsContact O-N 3.13Å |
| 456 | K | 91.3 | Very high | 93.4 | Very high | 47 Ų | 47 | 13.7 Ų | 13.7 | 20% | 0.204 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -76.8 | 148.8 | 179.8 | -73.1 | 177.9 | 179.4 | 171.9 | 0 | 112.5 | R374 M448 E452 T460 L461 | R374-K456 PolarHBondContact NH1-O 3.39Å; M448-K456 HydrophobicContact CE-CD 4.16Å; M448-K456 HydrophobicContact SD-CD 3.57Å; M448-K456 VanDerWaalsContact SD-CD 3.57Å; E452-K456 HydrophobicContact CB-CD 4.21Å; E452-K456 WeakPolarHBondContact O-CB 3.41Å; E452-K456 WeakPolarHBondContact O-CG 3.32Å; E452-K456 PolarHBondContact O-N 2.82Å; E452-K456 IonicContact OE1-NZ 3.56Å; E452-K456 PolarHBondContact OE1-NZ 2.96Å; E452-K456 IonicContact OE2-NZ 2.96Å; E452-K456 PolarHBondContact OE2-NZ 3.18Å; K456-T460 HydrophobicContact CB-CG2 4.45Å; K456-T460 HydrophobicContact CD-CG2 4.05Å; K456-L461 HydrophobicContact CB-CD2 4.13Å |
| 457 | G | 88.8 | Confident | 93.4 | Very high | 33 Ų | 33 | 14 Ų | 14 | 34% | 0.34 | 8% | 0.08 | S | C | . | . | trans | -71.1 | 151.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G459 T460 L461 | G457-G459 PolarHBondContact O-N 2.92Å; G457-G459 VanDerWaalsContact O-N 3.09Å; G457-T460 WeakPolarHBondContact O-CB 3.45Å; G457-T460 PolarHBondContact O-N 2.82Å; G457-L461 PolarHBondContact O-N 2.76Å | ||
| 458 | S | 87.6 | Confident | 93.4 | Very high | 30 Ų | 30 | 14.4 Ų | 14.4 | 21% | 0.21 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -55.9 | -31.7 | -175.8 | 67.7 | 0 | 0 | 0 | 0 | 114.7 | L461 C462 S774 | S458-L461 WeakPolarHBondContact O-CB 3.38Å; S458-L461 PolarHBondContact O-N 2.98Å; S458-C462 WeakPolarHBondContact O-CB 3.26Å; S458-C462 PolarHBondContact O-N 2.83Å; S458-S774 WeakPolarHBondContact CB-OG 3.32Å; S458-S774 PolarHBondContact OG-OG 3.4Å |
| 459 | G | 89.9 | Confident | 93.4 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -71 | -27.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | G457 C462 E463 Y778 | G457-G459 PolarHBondContact O-N 2.92Å; G457-G459 VanDerWaalsContact O-N 3.09Å; G459-C462 WeakPolarHBondContact O-CB 3.19Å; G459-C462 PolarHBondContact O-N 2.88Å; G459-E463 PolarHBondContact O-N 2.75Å; G459-Y778 VanDerWaalsContact O-CD2 3.29Å; G459-Y778 WeakPolarHBondContact O-CD2 3.49Å |
| 460 | T | 91.2 | Very high | 93.4 | Very high | 53 Ų | 53 | 14.9 Ų | 14.9 | 33% | 0.325 | 9% | 0.085 | S | C | . | . | H | α-helix | trans | -73.3 | -36.4 | 172.2 | -55.1 | 0 | 0 | 0 | 0 | 110.7 | K456 G457 C462 E463 A464 | K456-T460 HydrophobicContact CB-CG2 4.45Å; K456-T460 HydrophobicContact CD-CG2 4.05Å; G457-T460 WeakPolarHBondContact O-CB 3.45Å; G457-T460 PolarHBondContact O-N 2.82Å; T460-C462 VanDerWaalsContact C-N 3.34Å; T460-E463 PolarHBondContact O-N 2.92Å; T460-A464 PolarHBondContact O-N 2.76Å |
| 461 | L | 93.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 170.6 | -53.7 | -179.1 | 0 | 0 | 0 | 110.5 | L442 I446 M448 K456 G457 S458 E463 A464 L465 I771 | L442-L461 HydrophobicContact CD1-CD1 4.35Å; I446-L461 HydrophobicContact CD1-CB 4.01Å; I446-L461 VanDerWaalsContact CD1-O 3.28Å; I446-L461 WeakPolarHBondContact CD1-O 3.32Å; I446-L461 HydrophobicContact CG1-CB 4.11Å; I446-L461 HydrophobicContact CG1-CD2 4.46Å; I446-L461 HydrophobicContact CG2-CD2 3.95Å; M448-L461 HydrophobicContact SD-CD2 4.31Å; K456-L461 HydrophobicContact CB-CD2 4.13Å; G457-L461 PolarHBondContact O-N 2.76Å; S458-L461 WeakPolarHBondContact O-CB 3.38Å; S458-L461 PolarHBondContact O-N 2.98Å; L461-E463 PolarHBondContact O-N 3.5Å; L461-A464 WeakPolarHBondContact O-CB 3.26Å; L461-A464 PolarHBondContact O-N 3.02Å; L461-L465 PolarHBondContact O-N 2.68Å; L461-I771 HydrophobicContact CB-CD1 3.65Å; L461-I771 HydrophobicContact CD1-CD1 4.36Å |
| 462 | C | 93.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.4 | -41.9 | 173.9 | -171.7 | 0 | 0 | 0 | 0 | 112.9 | S458 G459 T460 L465 L466 F775 Y778 | S458-C462 WeakPolarHBondContact O-CB 3.26Å; S458-C462 PolarHBondContact O-N 2.83Å; G459-C462 WeakPolarHBondContact O-CB 3.19Å; G459-C462 PolarHBondContact O-N 2.88Å; T460-C462 VanDerWaalsContact C-N 3.34Å; C462-L465 PolarHBondContact O-N 3.08Å; C462-L466 WeakPolarHBondContact O-CG 3.46Å; C462-L466 PolarHBondContact O-N 2.89Å; C462-F775 VanDerWaalsContact SG-CD1 3.54Å; C462-Y778 HydrophobicContact CB-CG 4.45Å |
| 463 | E | 94.3 | Very high | 93.3 | Very high | 14 Ų | 14 | 21.1 Ų | 21.1 | 7% | 0.065 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.5 | -45.2 | 174.2 | -176.6 | 170.3 | 78.2 | 0 | 0 | 111.5 | G459 T460 L461 L465 L466 M467 K480 Y778 R785 | G459-E463 PolarHBondContact O-N 2.75Å; T460-E463 PolarHBondContact O-N 2.92Å; L461-E463 PolarHBondContact O-N 3.5Å; E463-L465 VanDerWaalsContact C-N 3.34Å; E463-L465 PolarHBondContact O-N 3.07Å; E463-L466 PolarHBondContact O-N 2.91Å; E463-M467 HydrophobicContact CG-CE 4.42Å; E463-M467 WeakPolarHBondContact O-CG 3.49Å; E463-M467 PolarHBondContact O-N 3.49Å; E463-K480 VanDerWaalsContact OE1-CE 3.3Å; E463-K480 WeakPolarHBondContact OE1-CE 3.36Å; E463-K480 IonicContact OE1-NZ 3.6Å; E463-K480 PolarHBondContact OE1-NZ 3.22Å; E463-Y778 HydrophobicContact CB-CD2 4.37Å; E463-Y778 HydrophobicContact CB-CE2 3.57Å; E463-Y778 HydrophobicContact CG-CE2 4.06Å; E463-Y778 WeakPolarHBondContact CG-OH 3.49Å; E463-Y778 PolarHBondContact OE2-OH 2.93Å; E463-R785 PolarHBondContact OE2-N 2.9Å |
| 464 | A | 95 | Very high | 93.2 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.008 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.4 | -42.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I446 P447 M448 T460 L461 M467 V468 | I446-A464 HydrophobicContact CG2-CB 4.01Å; P447-A464 HydrophobicContact CG-CB 4Å; M448-A464 HydrophobicContact CE-CB 3.61Å; T460-A464 PolarHBondContact O-N 2.76Å; L461-A464 WeakPolarHBondContact O-CB 3.26Å; L461-A464 PolarHBondContact O-N 3.02Å; A464-M467 HydrophobicContact CB-CE 4.34Å; A464-M467 PolarHBondContact O-N 3.07Å; A464-V468 WeakPolarHBondContact O-CG2 3.47Å; A464-V468 PolarHBondContact O-N 3.29Å; A464-V468 VanDerWaalsContact O-N 3.16Å |
| 465 | L | 94.7 | Very high | 93.2 | Very high | 3 Ų | 3 | 23.6 Ų | 23.6 | 2% | 0.016 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.3 | -49.2 | 171.5 | 170.6 | 61.9 | 0 | 0 | 0 | 112 | I445 I446 L461 C462 E463 M467 V468 E469 T717 F721 I771 F775 | I445-L465 HydrophobicContact CG2-CD1 4.28Å; I446-L465 HydrophobicContact CD1-CB 4.1Å; L461-L465 PolarHBondContact O-N 2.68Å; C462-L465 PolarHBondContact O-N 3.08Å; E463-L465 VanDerWaalsContact C-N 3.34Å; E463-L465 PolarHBondContact O-N 3.07Å; L465-M467 PolarHBondContact O-N 2.62Å; L465-V468 WeakPolarHBondContact O-CB 3.41Å; L465-V468 PolarHBondContact O-N 2.96Å; L465-E469 HydrophobicContact CD1-CG 4.1Å; L465-E469 PolarHBondContact O-N 3.35Å; L465-T717 HydrophobicContact CD2-CG2 4.06Å; L465-T717 HydrophobicContact CG-CG2 4.17Å; L465-F721 HydrophobicContact CD1-CE1 4.41Å; L465-F721 HydrophobicContact CD1-CE2 3.54Å; L465-F721 HydrophobicContact CD1-CZ 3.34Å; L465-F721 HydrophobicContact CD2-CD1 4.08Å; L465-F721 HydrophobicContact CD2-CD2 4.08Å; L465-F721 HydrophobicContact CD2-CE1 3.48Å; L465-F721 VanDerWaalsContact CD2-CE1 3.48Å; L465-F721 HydrophobicContact CD2-CE2 3.51Å; L465-F721 HydrophobicContact CD2-CG 4.33Å; L465-F721 HydrophobicContact CD2-CZ 3.15Å; L465-F721 HydrophobicContact CG-CE2 4.08Å; L465-F721 HydrophobicContact CG-CZ 3.84Å; L465-I771 HydrophobicContact CD2-CG2 3.64Å; L465-F775 HydrophobicContact CD2-CZ 3.89Å |
| 466 | L | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.3 | -30.9 | -179.3 | -74.8 | 168.4 | 0 | 0 | 0 | 112.3 | C462 E463 A470 F713 Y714 T717 F775 Y778 W786 | C462-L466 WeakPolarHBondContact O-CG 3.46Å; C462-L466 PolarHBondContact O-N 2.89Å; E463-L466 PolarHBondContact O-N 2.91Å; L466-A470 WeakPolarHBondContact O-CB 3.37Å; L466-A470 PolarHBondContact O-N 2.77Å; L466-F713 HydrophobicContact CD2-CE2 4.4Å; L466-Y714 HydrophobicContact CD1-CD2 4.08Å; L466-Y714 HydrophobicContact CD1-CE2 3.57Å; L466-Y714 HydrophobicContact CD2-CD2 3.52Å; L466-Y714 HydrophobicContact CD2-CE2 3.77Å; L466-Y714 HydrophobicContact CD2-CG 4.3Å; L466-Y714 HydrophobicContact CG-CD2 4.46Å; L466-Y714 HydrophobicContact CG-CE2 4.34Å; L466-T717 HydrophobicContact CD2-CG2 4.35Å; L466-F775 HydrophobicContact CD1-CD1 4.47Å; L466-F775 HydrophobicContact CD1-CE1 4.37Å; L466-F775 HydrophobicContact CD2-CE1 3.9Å; L466-F775 HydrophobicContact CG-CE1 4.12Å; L466-Y778 HydrophobicContact CD1-CD1 3.81Å; L466-Y778 HydrophobicContact CD1-CE1 3.4Å; L466-Y778 VanDerWaalsContact CD1-CE1 3.4Å; L466-W786 HydrophobicContact CB-CE3 3.71Å; L466-W786 HydrophobicContact CB-CH2 3.86Å; L466-W786 HydrophobicContact CB-CZ3 3.29Å; L466-W786 HydrophobicContact CD1-CE3 3.87Å; L466-W786 HydrophobicContact CD1-CZ3 4.29Å; L466-W786 HydrophobicContact CG-CE3 4.41Å; L466-W786 HydrophobicContact CG-CZ3 4.41Å |
| 467 | M | 96.2 | Very high | 93.6 | Very high | 7 Ų | 7 | 19.7 Ų | 19.7 | 3% | 0.034 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.6 | -40.8 | 172.1 | -69 | -173.6 | -61.4 | 0 | 0 | 112.2 | I188 I196 E463 A464 L465 E469 F471 F477 R785 W786 | I188-M467 HydrophobicContact CD1-SD 3.51Å; I188-M467 VanDerWaalsContact CD1-SD 3.51Å; I188-M467 HydrophobicContact CG1-SD 4.19Å; I196-M467 HydrophobicContact CD1-CB 3.85Å; I196-M467 HydrophobicContact CD1-CE 4.38Å; E463-M467 HydrophobicContact CG-CE 4.42Å; E463-M467 WeakPolarHBondContact O-CG 3.49Å; E463-M467 PolarHBondContact O-N 3.49Å; A464-M467 HydrophobicContact CB-CE 4.34Å; A464-M467 PolarHBondContact O-N 3.07Å; L465-M467 PolarHBondContact O-N 2.62Å; M467-E469 VanDerWaalsContact C-N 3.34Å; M467-E469 PolarHBondContact O-N 2.63Å; M467-F471 WeakPolarHBondContact O-CB 3.47Å; M467-F471 PolarHBondContact O-N 3.16Å; M467-F477 HydrophobicContact CB-CE1 4.24Å; M467-F477 HydrophobicContact CB-CE2 4Å; M467-F477 HydrophobicContact CB-CZ 3.82Å; M467-F477 HydrophobicContact CG-CD2 4.2Å; M467-F477 HydrophobicContact CG-CE2 4.14Å; M467-F477 HydrophobicContact CG-CG 4.4Å; M467-F477 HydrophobicContact CG-CZ 4.32Å; M467-F477 VanDerWaalsContact O-CE1 3.22Å; M467-F477 WeakPolarHBondContact O-CE1 3.45Å; M467-F477 WeakPolarHBondContact O-CZ 3.32Å; M467-F477 HydrophobicContact SD-CD2 4.29Å; M467-F477 HydrophobicContact SD-CE2 4.33Å; M467-R785 PolarHBondContact SD-NE 3.41Å; M467-R785 VanDerWaalsContact SD-NE 3.43Å; M467-W786 HydrophobicContact CG-CH2 3.88Å; M467-W786 HydrophobicContact CG-CZ3 4.13Å |
| 468 | V | 95.4 | Very high | 93.7 | Very high | 11 Ų | 11 | 18.8 Ų | 18.8 | 7% | 0.067 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -57.9 | -49 | 173.7 | 174.3 | 0 | 0 | 0 | 0 | 110.5 | I196 F201 P447 A464 L465 F471 S472 | I196-V468 HydrophobicContact CG1-CG2 3.8Å; F201-V468 HydrophobicContact CE1-CG2 4.39Å; F201-V468 HydrophobicContact CZ-CG1 3.92Å; F201-V468 HydrophobicContact CZ-CG2 3.76Å; P447-V468 HydrophobicContact CB-CG2 4.11Å; P447-V468 HydrophobicContact CG-CG2 3.71Å; A464-V468 WeakPolarHBondContact O-CG2 3.47Å; A464-V468 PolarHBondContact O-N 3.29Å; A464-V468 VanDerWaalsContact O-N 3.16Å; L465-V468 WeakPolarHBondContact O-CB 3.41Å; L465-V468 PolarHBondContact O-N 2.96Å; V468-F471 PolarHBondContact O-N 3.3Å; V468-S472 PolarHBondContact O-N 3.39Å; V468-S472 VanDerWaalsContact O-N 3.14Å |
| 469 | E | 94.8 | Very high | 93.8 | Very high | 36 Ų | 36 | 19.4 Ų | 19.4 | 17% | 0.168 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -71.6 | -38.3 | -177 | -63.7 | -67.5 | 163.7 | 0 | 0 | 111.9 | L465 M467 F471 S472 H473 T717 | L465-E469 HydrophobicContact CD1-CG 4.1Å; L465-E469 PolarHBondContact O-N 3.35Å; M467-E469 VanDerWaalsContact C-N 3.34Å; M467-E469 PolarHBondContact O-N 2.63Å; E469-F471 VanDerWaalsContact C-N 3.34Å; E469-F471 PolarHBondContact O-N 3.18Å; E469-S472 PolarHBondContact O-N 3.34Å; E469-S472 PolarHBondContact O-OG 3.03Å; E469-H473 PolarHBondContact O-N 2.98Å; E469-H473 PolarHBondContact O-ND1 3.27Å; E469-T717 HydrophobicContact CB-CG2 4.48Å; E469-T717 WeakPolarHBondContact CB-OG1 3.38Å; E469-T717 HydrophobicContact CG-CG2 3.82Å; E469-T717 WeakPolarHBondContact CG-OG1 3.25Å |
| 470 | A | 95.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.4 | -40.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L466 S472 H473 D474 I475 F477 F713 W786 | L466-A470 WeakPolarHBondContact O-CB 3.37Å; L466-A470 PolarHBondContact O-N 2.77Å; A470-S472 PolarHBondContact O-N 2.92Å; A470-H473 CarbonylContact O-C 3.58Å; A470-H473 PolarHBondContact O-N 2.91Å; A470-D474 PolarHBondContact O-N 2.79Å; A470-I475 HydrophobicContact CB-CB 4.17Å; A470-I475 HydrophobicContact CB-CG2 4.44Å; A470-I475 WeakPolarHBondContact O-CB 3.34Å; A470-I475 PolarHBondContact O-N 2.78Å; A470-F477 HydrophobicContact CB-CD1 3.76Å; A470-F477 HydrophobicContact CB-CE1 3.6Å; A470-F713 HydrophobicContact CB-CD2 4.2Å; A470-F713 HydrophobicContact CB-CE2 3.92Å; A470-W786 HydrophobicContact CB-CH2 4.15Å; A470-W786 HydrophobicContact CB-CZ2 3.77Å |
| 471 | F | 95.5 | Very high | 92.5 | Very high | 50 Ų | 50 | 25.2 Ų | 25.2 | 22% | 0.219 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.3 | -43.8 | 177.8 | -178.4 | -98.8 | 0 | 0 | 0 | 111.4 | I196 D197 M467 V468 E469 H473 D474 F477 | I196-F471 HydrophobicContact CG2-CB 3.56Å; I196-F471 HydrophobicContact CG2-CD1 3.99Å; I196-F471 HydrophobicContact CG2-CD2 4.23Å; I196-F471 HydrophobicContact CG2-CG 3.67Å; D197-F471 HydrophobicContact CB-CE1 4.27Å; D197-F471 HydrophobicContact CB-CZ 3.96Å; D197-F471 WeakPolarHBondContact OD1-CE2 3.29Å; M467-F471 WeakPolarHBondContact O-CB 3.47Å; M467-F471 PolarHBondContact O-N 3.16Å; V468-F471 PolarHBondContact O-N 3.3Å; E469-F471 VanDerWaalsContact C-N 3.34Å; E469-F471 PolarHBondContact O-N 3.18Å; F471-H473 PolarHBondContact O-N 3.27Å; F471-D474 PolarHBondContact O-N 3.14Å; F471-F477 HydrophobicContact CB-CE1 4.13Å; F471-F477 HydrophobicContact CB-CZ 3.93Å |
| 472 | S | 93 | Very high | 90.7 | Very high | 49 Ų | 49 | 27.9 Ų | 27.9 | 34% | 0.343 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -66.3 | -16.8 | 178.7 | 63.6 | 0 | 0 | 0 | 0 | 114.3 | V468 E469 A470 | V468-S472 PolarHBondContact O-N 3.39Å; V468-S472 VanDerWaalsContact O-N 3.14Å; E469-S472 PolarHBondContact O-N 3.34Å; E469-S472 PolarHBondContact O-OG 3.03Å; A470-S472 PolarHBondContact O-N 2.92Å |
| 473 | H | 91.5 | Very high | 88.8 | Confident | 68 Ų | 68 | 35.7 Ų | 35.7 | 32% | 0.315 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 14.4 | 174.8 | -65.6 | 87.9 | 0 | 0 | 0 | 112.9 | N108 E469 A470 F471 I475 F713 | N108-H473 PolarHBondContact ND2-O 3.03Å; E469-H473 PolarHBondContact O-N 2.98Å; E469-H473 PolarHBondContact O-ND1 3.27Å; A470-H473 CarbonylContact O-C 3.58Å; A470-H473 PolarHBondContact O-N 2.91Å; F471-H473 PolarHBondContact O-N 3.27Å; H473-I475 HydrophobicContact CB-CD1 3.8Å; H473-I475 HydrophobicContact CB-CG1 4.07Å; H473-I475 PolarHBondContact O-N 3.03Å; H473-F713 HydrophobicContact CB-CB 4.45Å |
| 474 | D | 93.9 | Very high | 86.7 | Confident | 52 Ų | 52 | 39.5 Ų | 39.5 | 28% | 0.278 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 27.8 | -179.5 | -168 | 39.1 | 0 | 0 | 0 | 113.8 | K107 N108 K120 A470 F471 | K107-D474 WeakPolarHBondContact CD-OD1 3.49Å; K107-D474 VanDerWaalsContact CE-OD1 3.31Å; K107-D474 WeakPolarHBondContact CE-OD1 3.31Å; K107-D474 IonicContact NZ-OD1 3.06Å; K107-D474 PolarHBondContact NZ-OD1 2.87Å; N108-D474 WeakPolarHBondContact CB-O 3.34Å; N108-D474 PolarHBondContact N-O 2.93Å; K120-D474 IonicContact NZ-OD2 2.81Å; K120-D474 PolarHBondContact NZ-OD2 3.44Å; A470-D474 PolarHBondContact O-N 2.79Å; F471-D474 PolarHBondContact O-N 3.14Å |
| 475 | I | 95.2 | Very high | 84.6 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -91.2 | 128.8 | -179.8 | -60.8 | 165.8 | 0 | 0 | 0 | 109.6 | N108 L110 A470 H473 F713 | N108-I475 HydrophobicContact CB-CG1 4.14Å; N108-I475 WeakPolarHBondContact O-CA 3.49Å; L110-I475 HydrophobicContact CD1-CD1 4.21Å; L110-I475 HydrophobicContact CD1-CG2 4.11Å; L110-I475 HydrophobicContact CG-CG2 4.04Å; A470-I475 HydrophobicContact CB-CB 4.17Å; A470-I475 HydrophobicContact CB-CG2 4.44Å; A470-I475 WeakPolarHBondContact O-CB 3.34Å; A470-I475 PolarHBondContact O-N 2.78Å; H473-I475 HydrophobicContact CB-CD1 3.8Å; H473-I475 HydrophobicContact CB-CG1 4.07Å; H473-I475 PolarHBondContact O-N 3.03Å; I475-F713 HydrophobicContact CD1-CB 3.74Å; I475-F713 HydrophobicContact CD1-CD1 3.47Å; I475-F713 VanDerWaalsContact CD1-CD1 3.47Å; I475-F713 HydrophobicContact CD1-CD2 4.13Å; I475-F713 HydrophobicContact CD1-CE1 4.13Å; I475-F713 HydrophobicContact CD1-CG 3.47Å; I475-F713 VanDerWaalsContact CD1-CG 3.47Å |
| 476 | V | 95 | Very high | 83.3 | Confident | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.024 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -72 | 135.8 | 172.3 | 69.2 | 0 | 0 | 0 | 0 | 109.9 | Y76 K107 N108 D109 Y123 R184 E185 | Y76-V476 HydrophobicContact CD2-CG2 4.32Å; K107-V476 HydrophobicContact CB-CB 4.04Å; N108-V476 PolarHBondContact O-N 3.33Å; D109-V476 HydrophobicContact CB-CG1 3.73Å; Y123-V476 HydrophobicContact CE2-CB 4.33Å; Y123-V476 HydrophobicContact CE2-CG1 4.05Å; Y123-V476 HydrophobicContact CE2-CG2 4.25Å; R184-V476 HydrophobicContact CB-CG2 3.74Å; R184-V476 HydrophobicContact CG-CG2 3.85Å; E185-V476 HydrophobicContact CG-CG2 4.34Å; E185-V476 WeakPolarHBondContact OE1-CA 3.39Å; E185-V476 WeakPolarHBondContact OE1-CG2 3.22Å |
| 477 | F | 95.1 | Very high | 82.2 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 137.5 | -178.5 | -44.6 | -35.6 | 0 | 0 | 0 | 111.3 | E185 I188 M467 A470 F471 W786 | E185-F477 HydrophobicContact CB-CD2 4.31Å; E185-F477 HydrophobicContact CG-CB 3.9Å; E185-F477 HydrophobicContact CG-CD2 3.6Å; E185-F477 HydrophobicContact CG-CE2 4.44Å; E185-F477 HydrophobicContact CG-CG 3.96Å; E185-F477 PolarHBondContact OE1-N 3.45Å; E185-F477 WeakPolarHBondContact OE2-CD2 3.12Å; E185-F477 WeakPolarHBondContact OE2-CE2 3.29Å; I188-F477 HydrophobicContact CD1-CD2 3.27Å; I188-F477 HydrophobicContact CD1-CE2 3.29Å; M467-F477 HydrophobicContact CB-CE1 4.24Å; M467-F477 HydrophobicContact CB-CE2 4Å; M467-F477 HydrophobicContact CB-CZ 3.82Å; M467-F477 HydrophobicContact CG-CD2 4.2Å; M467-F477 HydrophobicContact CG-CE2 4.14Å; M467-F477 HydrophobicContact CG-CG 4.4Å; M467-F477 HydrophobicContact CG-CZ 4.32Å; M467-F477 VanDerWaalsContact O-CE1 3.22Å; M467-F477 WeakPolarHBondContact O-CE1 3.45Å; M467-F477 WeakPolarHBondContact O-CZ 3.32Å; M467-F477 HydrophobicContact SD-CD2 4.29Å; M467-F477 HydrophobicContact SD-CE2 4.33Å; A470-F477 HydrophobicContact CB-CD1 3.76Å; A470-F477 HydrophobicContact CB-CE1 3.6Å; F471-F477 HydrophobicContact CB-CE1 4.13Å; F471-F477 HydrophobicContact CB-CZ 3.93Å; F477-W786 HydrophobicContact CD1-CH2 4.37Å; F477-W786 HydrophobicContact CD1-CZ2 4.31Å |
| 478 | P | 92 | Very high | 81.5 | Confident | 14 Ų | 14 | 52.8 Ų | 52.8 | 9% | 0.091 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 151.2 | 170.6 | 11.7 | -10.5 | 0 | 0 | 0 | 110.6 | E111 R785 W786 | E111-P478 WeakPolarHBondContact OE1-CB 2.98Å; P478-R785 HydrophobicContact CB-CB 4.45Å; P478-R785 WeakPolarHBondContact CB-O 3.31Å; P478-R785 HydrophobicContact CG-CB 3.99Å; P478-R785 WeakPolarHBondContact CG-O 3.39Å; P478-R785 WeakPolarHBondContact O-CD 3.44Å; P478-R785 WeakPolarHBondContact O-CG 3.38Å; P478-R785 PolarHBondContact O-NH1 2.94Å; P478-W786 HydrophobicContact CG-CD2 4.23Å; P478-W786 HydrophobicContact CG-CG 4.1Å; P478-W786 HydrophobicContact CG-CZ2 4.48Å |
| 479 | N | 89.5 | Confident | 80.9 | Confident | 43 Ų | 43 | 52.9 Ų | 52.9 | 23% | 0.23 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 148.4 | 169.2 | -72.2 | -21.5 | 0 | 0 | 0 | 108.1 | I183 K481 | I183-N479 PolarHBondContact O-ND2 3.01Å; I183-N479 PolarHBondContact O-OD1 3.42Å; N479-K481 PolarHBondContact O-N 3.07Å |
| 480 | K | 85.6 | Confident | 80 | Confident | 88 Ų | 88 | 58.2 Ų | 58.2 | 38% | 0.383 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 127.9 | 171.6 | -68.1 | -177.8 | 174.1 | -177.1 | 0 | 108 | E463 G482 G783 R785 | E463-K480 VanDerWaalsContact OE1-CE 3.3Å; E463-K480 WeakPolarHBondContact OE1-CE 3.36Å; E463-K480 IonicContact OE1-NZ 3.6Å; E463-K480 PolarHBondContact OE1-NZ 3.22Å; K480-G482 PolarHBondContact O-N 2.79Å; K480-G783 WeakPolarHBondContact CD-O 3.45Å; K480-G783 WeakPolarHBondContact CG-O 3.29Å; K480-R785 HydrophobicContact CG-CG 3.79Å |
| 481 | K | 67.6 | Low | 79.4 | Confident | 88 Ų | 88 | 62 Ų | 62 | 38% | 0.383 | 33% | 0.329 | S | S | . | . | trans | -61.2 | 115.2 | 174.6 | -72.7 | -156.1 | 175.9 | -163.6 | 0 | 108 | N479 E484 H787 | N479-K481 PolarHBondContact O-N 3.07Å; K481-E484 WeakPolarHBondContact CD-OE1 3.31Å; K481-E484 IonicContact NZ-OE1 2.68Å; K481-E484 PolarHBondContact NZ-OE1 3.11Å; K481-H787 HydrophobicContact CB-CB 4.46Å; K481-H787 HydrophobicContact CD-CB 3.79Å; K481-H787 HydrophobicContact CG-CB 4.06Å | ||
| 482 | G | 56.6 | Low | 78.8 | Confident | 55 Ų | 55 | 60.3 Ų | 60.3 | 57% | 0.567 | 33% | 0.325 | S | S | * | . | trans | -66.3 | -176.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | K480 E484 | K480-G482 PolarHBondContact O-N 2.79Å; G482-E484 VanDerWaalsContact C-N 3.32Å; G482-E484 PolarHBondContact O-N 3.49Å | ||
| 483 | F | 52.6 | Low | 78.5 | Confident | 165 Ų | 165 | 60.2 Ų | 60.2 | 72% | 0.724 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -61.7 | 101.2 | 162.8 | -71.2 | -88.7 | 0 | 0 | 0 | 107.5 | ||
| 484 | E | 49.9 | Very low | 78.2 | Confident | 94 Ų | 94 | 57.1 Ų | 57.1 | 44% | 0.439 | 31% | 0.305 | S | S | . | . | trans | -54.2 | 150.4 | 176.8 | -74.7 | -175.7 | 177.3 | 0 | 0 | 110.1 | K481 G482 K486 Q487 | K481-E484 WeakPolarHBondContact CD-OE1 3.31Å; K481-E484 IonicContact NZ-OE1 2.68Å; K481-E484 PolarHBondContact NZ-OE1 3.11Å; G482-E484 VanDerWaalsContact C-N 3.32Å; G482-E484 PolarHBondContact O-N 3.49Å; E484-K486 PolarHBondContact O-N 2.87Å; E484-Q487 PolarHBondContact OE2-NE2 3.27Å | ||
| 485 | T | 52.1 | Low | 77.8 | Confident | 112 Ų | 112 | 55.7 Ų | 55.7 | 69% | 0.687 | 30% | 0.297 | S | S | * | . | trans | -48.3 | 135.5 | 170.8 | 3.8 | 0 | 0 | 0 | 0 | 109.5 | Q487 | T485-Q487 WeakPolarHBondContact O-CG 3.19Å; T485-Q487 PolarHBondContact O-N 3.25Å | ||
| 486 | K | 66.3 | Low | 77.2 | Confident | 51 Ų | 51 | 58 Ų | 58 | 22% | 0.222 | 31% | 0.308 | C | S | . | . | trans | -42 | 108.8 | 179.1 | -87.1 | -177.6 | 168.4 | 173.9 | 0 | 111.7 | E484 L494 Y643 E679 N680 | E484-K486 PolarHBondContact O-N 2.87Å; K486-L494 HydrophobicContact CB-CD1 3.55Å; K486-L494 HydrophobicContact CD-CD1 4.04Å; K486-L494 HydrophobicContact CD-CD2 4.03Å; K486-L494 HydrophobicContact CG-CD1 3.84Å; K486-Y643 HydrophobicContact CD-CE2 4Å; K486-Y643 WeakPolarHBondContact CD-OH 3.45Å; K486-E679 IonicContact NZ-OE1 3.26Å; K486-E679 PolarHBondContact NZ-OE1 3.44Å; K486-E679 IonicContact NZ-OE2 3.03Å; K486-E679 PolarHBondContact NZ-OE2 2.73Å; K486-N680 PolarHBondContact NZ-OD1 3.21Å; K486-N680 VanDerWaalsContact NZ-OD1 3.09Å | ||
| 487 | Q | 72.9 | Confident | 76.6 | Confident | 74 Ų | 74 | 59.8 Ų | 59.8 | 35% | 0.346 | 32% | 0.321 | S | S | . | . | trans | -85.8 | 146.1 | -177.7 | -65 | -169.6 | 2.8 | 0 | 0 | 111.3 | E484 T485 L494 I495 | E484-Q487 PolarHBondContact OE2-NE2 3.27Å; T485-Q487 WeakPolarHBondContact O-CG 3.19Å; T485-Q487 PolarHBondContact O-N 3.25Å; Q487-L494 WeakPolarHBondContact O-CD1 3.43Å; Q487-I495 HydrophobicContact CB-CD1 4.25Å; Q487-I495 PolarHBondContact O-N 3.4Å | ||
| 488 | F | 81.9 | Confident | 76.1 | Confident | 53 Ų | 53 | 62 Ų | 62 | 23% | 0.232 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -111.9 | 145.5 | 174.9 | -65.9 | -97.4 | 0 | 0 | 0 | 109.8 | G492 H493 L494 K640 Y643 | F488-G492 WeakPolarHBondContact CD1-O 3.4Å; F488-H493 CarbonylContact C-O 3.49Å; F488-H493 WeakPolarHBondContact CA-O 3.42Å; F488-L494 HydrophobicContact CD1-CB 4.17Å; F488-L494 HydrophobicContact CE1-CB 3.81Å; F488-L494 HydrophobicContact CE1-CD1 4.28Å; F488-L494 HydrophobicContact CE2-CD1 4.33Å; F488-L494 HydrophobicContact CZ-CB 4.38Å; F488-L494 HydrophobicContact CZ-CD1 4.06Å; F488-K640 HydrophobicContact CD1-CB 4.14Å; F488-K640 HydrophobicContact CD1-CG 4.24Å; F488-K640 HydrophobicContact CE1-CB 4.13Å; F488-K640 HydrophobicContact CE1-CG 4.09Å; F488-K640 HydrophobicContact CZ-CG 4.32Å; F488-Y643 HydrophobicContact CE1-CD1 4.14Å; F488-Y643 HydrophobicContact CE1-CG 4.09Å; F488-Y643 HydrophobicContact CE2-CE1 4.33Å; F488-Y643 AromaticContact CZ-CD1 3.49Å; F488-Y643 HydrophobicContact CZ-CD1 3.49Å; F488-Y643 VanDerWaalsContact CZ-CD1 3.49Å; F488-Y643 HydrophobicContact CZ-CD2 4.28Å; F488-Y643 AromaticContact CZ-CE1 3.64Å; F488-Y643 HydrophobicContact CZ-CE1 3.64Å; F488-Y643 HydrophobicContact CZ-CE2 4.4Å; F488-Y643 AromaticContact CZ-CG 3.81Å; F488-Y643 HydrophobicContact CZ-CG 3.81Å |
| 489 | T | 82.8 | Confident | 75.9 | Confident | 12 Ų | 12 | 63.5 Ų | 63.5 | 7% | 0.074 | 34% | 0.341 | C | S | . | . | trans | -61 | 162.4 | 165 | 57.3 | 0 | 0 | 0 | 0 | 110.2 | D491 G492 H493 I495 W631 I635 | T489-D491 WeakPolarHBondContact CB-OD1 3.47Å; T489-D491 PolarHBondContact O-N 2.83Å; T489-D491 PolarHBondContact OG1-OD1 2.68Å; T489-G492 WeakPolarHBondContact O-CA 3.4Å; T489-G492 PolarHBondContact O-N 3.35Å; T489-H493 PolarHBondContact N-O 2.98Å; T489-H493 WeakPolarHBondContact OG1-CB 3.34Å; T489-H493 PolarHBondContact OG1-N 3.49Å; T489-H493 PolarHBondContact OG1-O 3.22Å; T489-I495 HydrophobicContact CG2-CD1 4.02Å; T489-I495 HydrophobicContact CG2-CG1 3.76Å; T489-W631 HydrophobicContact CG2-CH2 4.42Å; T489-I635 HydrophobicContact CG2-CG2 3.89Å | ||
| 490 | T | 76.1 | Confident | 75.9 | Confident | 149 Ų | 149 | 63 Ų | 63 | 91% | 0.914 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -28.5 | -179.2 | 44 | 0 | 0 | 0 | 0 | 113.4 | G492 | T490-G492 VanDerWaalsContact C-N 3.35Š|
| 491 | D | 82.2 | Confident | 75.6 | Confident | 79 Ų | 79 | 61.3 Ų | 61.3 | 42% | 0.422 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 3.9 | 173.1 | 54.7 | -7.9 | 0 | 0 | 0 | 114 | T489 H493 R698 | T489-D491 WeakPolarHBondContact CB-OD1 3.47Å; T489-D491 PolarHBondContact O-N 2.83Å; T489-D491 PolarHBondContact OG1-OD1 2.68Å; D491-H493 IonicContact OD1-CD2 3.99Å; D491-H493 IonicContact OD2-CD2 3.32Å; D491-R698 IonicContact OD1-NH1 3.04Å; D491-R698 IonicContact OD2-CZ 3.9Å; D491-R698 IonicContact OD2-NH1 3.73Å; D491-R698 PolarHBondContact OD2-NH1 2.68Å; D491-R698 IonicContact OD2-NH2 3.87Å |
| 492 | G | 82.5 | Confident | 75.7 | Confident | 14 Ų | 14 | 59 Ų | 59 | 14% | 0.144 | 33% | 0.334 | C | S | . | . | S | Bend | trans | 93 | 21.3 | 166 | 0 | 0 | 0 | 0 | 0 | 116.4 | F488 T489 T490 N639 K640 | F488-G492 WeakPolarHBondContact CD1-O 3.4Å; T489-G492 WeakPolarHBondContact O-CA 3.4Å; T489-G492 PolarHBondContact O-N 3.35Å; T490-G492 VanDerWaalsContact C-N 3.35Å; G492-N639 CarbonylContact O-C 3.53Å; G492-N639 WeakPolarHBondContact O-CA 3.44Å; G492-K640 PolarHBondContact O-N 3.17Å |
| 493 | H | 87.4 | Confident | 76.1 | Confident | 47 Ų | 47 | 58.2 Ų | 58.2 | 22% | 0.218 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 141.9 | 175.9 | -64.7 | -76.3 | 0 | 0 | 0 | 112.4 | F488 T489 D491 I495 I635 P637 A638 | F488-H493 CarbonylContact C-O 3.49Å; F488-H493 WeakPolarHBondContact CA-O 3.42Å; T489-H493 PolarHBondContact N-O 2.98Å; T489-H493 WeakPolarHBondContact OG1-CB 3.34Å; T489-H493 PolarHBondContact OG1-N 3.49Å; T489-H493 PolarHBondContact OG1-O 3.22Å; D491-H493 IonicContact OD1-CD2 3.99Å; D491-H493 IonicContact OD2-CD2 3.32Å; H493-I495 PolarHBondContact O-N 3.09Å; H493-I635 HydrophobicContact CB-CD1 4.49Å; H493-P637 PolarHBondContact CE1-O 3.25Å; H493-P637 PolarHBondContact ND1-O 3.12Å; H493-A638 PolarHBondContact ND1-O 3.5Å |
| 494 | L | 84.4 | Confident | 76.5 | Confident | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 126.9 | -177.6 | 175.8 | 63.1 | 0 | 0 | 0 | 111.6 | K486 Q487 F488 I635 L636 Y643 L683 | K486-L494 HydrophobicContact CB-CD1 3.55Å; K486-L494 HydrophobicContact CD-CD1 4.04Å; K486-L494 HydrophobicContact CD-CD2 4.03Å; K486-L494 HydrophobicContact CG-CD1 3.84Å; Q487-L494 WeakPolarHBondContact O-CD1 3.43Å; F488-L494 HydrophobicContact CD1-CB 4.17Å; F488-L494 HydrophobicContact CE1-CB 3.81Å; F488-L494 HydrophobicContact CE1-CD1 4.28Å; F488-L494 HydrophobicContact CE2-CD1 4.33Å; F488-L494 HydrophobicContact CZ-CB 4.38Å; F488-L494 HydrophobicContact CZ-CD1 4.06Å; L494-I635 CarbonylContact O-C 3.6Å; L494-I635 WeakPolarHBondContact O-CA 3.26Å; L494-L636 HydrophobicContact CB-CB 4.29Å; L494-L636 HydrophobicContact CB-CD1 4.35Å; L494-L636 HydrophobicContact CD2-CD1 3.62Å; L494-L636 HydrophobicContact CG-CD1 4.12Å; L494-L636 PolarHBondContact O-N 3.24Å; L494-Y643 HydrophobicContact CD2-CD2 3.78Å; L494-Y643 HydrophobicContact CD2-CE2 3.62Å; L494-L683 HydrophobicContact CD2-CD1 3.88Å |
| 495 | I | 86 | Confident | 77.1 | Confident | 21 Ų | 21 | 55.5 Ų | 55.5 | 11% | 0.108 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 116.5 | 176.6 | -56.3 | 169.9 | 0 | 0 | 0 | 109.3 | Q487 T489 H493 E498 W631 I635 | Q487-I495 HydrophobicContact CB-CD1 4.25Å; Q487-I495 PolarHBondContact O-N 3.4Å; T489-I495 HydrophobicContact CG2-CD1 4.02Å; T489-I495 HydrophobicContact CG2-CG1 3.76Å; H493-I495 PolarHBondContact O-N 3.09Å; I495-E498 HydrophobicContact CG2-CB 4Å; I495-E498 HydrophobicContact CG2-CG 3.9Å; I495-W631 HydrophobicContact CD1-CZ2 4.15Å; I495-W631 HydrophobicContact CG2-CZ2 4.43Å; I495-I635 HydrophobicContact CG1-CG2 4.09Å |
| 496 | M | 82.2 | Confident | 77.8 | Confident | 50 Ų | 50 | 54 Ų | 54 | 25% | 0.246 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | -48.8 | 176.2 | -71.5 | -171.8 | 67.7 | 0 | 0 | 112.1 | E634 L636 H695 | M496-E634 HydrophobicContact CB-CG 4.35Å; M496-E634 WeakPolarHBondContact CB-O 3.27Å; M496-E634 PolarHBondContact N-O 3.19Å; M496-L636 HydrophobicContact CG-CD1 3.71Å; M496-L636 HydrophobicContact CG-CG 3.65Å; M496-L636 HydrophobicContact SD-CD1 4.06Å; M496-L636 HydrophobicContact SD-CD2 3.9Å; M496-L636 HydrophobicContact SD-CG 3.65Å; M496-H695 HydrophobicContact SD-CB 4.19Å |
| 497 | S | 82.8 | Confident | 77.9 | Confident | 43 Ų | 43 | 52.9 Ų | 52.9 | 30% | 0.301 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 151 | 177.1 | 79.9 | 0 | 0 | 0 | 0 | 109.1 | G633 E634 | S497-G633 CarbonylContact O-C 3.03Å; S497-G633 WeakPolarHBondContact O-CA 3.46Å; S497-E634 PolarHBondContact N-O 3.02Å; S497-E634 PolarHBondContact O-N 2.85Å; S497-E634 WeakPolarHBondContact OG-CB 3.27Å; S497-E634 PolarHBondContact OG-OE2 3.17Å |
| 498 | E | 85.3 | Confident | 77.8 | Confident | 45 Ų | 45 | 52.7 Ų | 52.7 | 21% | 0.21 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 149.1 | 176.6 | 40.7 | 158.6 | -163.6 | 0 | 0 | 110.2 | I495 W631 R632 M789 | I495-E498 HydrophobicContact CG2-CB 4Å; I495-E498 HydrophobicContact CG2-CG 3.9Å; E498-W631 HydrophobicContact CB-CZ2 4.16Å; E498-W631 PolarHBondContact OE2-NE1 3Å; E498-R632 CarbonylContact C-O 3.41Å; E498-R632 WeakPolarHBondContact CA-O 2.98Å; E498-M789 HydrophobicContact CB-CE 4.04Å; E498-M789 HydrophobicContact CB-SD 4.23Å; E498-M789 VanDerWaalsContact CD-CE 3.46Å; E498-M789 HydrophobicContact CG-CE 3.61Å; E498-M789 HydrophobicContact CG-SD 4.37Å; E498-M789 WeakPolarHBondContact OE1-CE 3.38Å |
| 499 | T | 87.9 | Confident | 77.6 | Confident | 47 Ų | 47 | 55.9 Ų | 55.9 | 29% | 0.288 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 176.6 | -179.3 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | R632 M780 | T499-R632 HydrophobicContact CG2-CB 4Å; T499-R632 HydrophobicContact CG2-CG 4.3Å; T499-R632 WeakPolarHBondContact CG2-O 3.43Å; T499-R632 PolarHBondContact N-O 3.37Å; T499-R632 CarbonylContact O-C 3.55Å; T499-R632 WeakPolarHBondContact O-CA 3.49Å; T499-R632 PolarHBondContact O-N 3.31Å; T499-M780 WeakPolarHBondContact OG1-CE 3.21Å |
| 500 | Y | 88.6 | Confident | 77.8 | Confident | 31 Ų | 31 | 56.3 Ų | 56.3 | 12% | 0.122 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 166.8 | 166.1 | 61.1 | -92.8 | 0 | 0 | 0 | 111.3 | V630 M780 M789 A792 G793 C796 | Y500-V630 CarbonylContact C-O 3.43Å; Y500-V630 WeakPolarHBondContact CA-O 3.4Å; Y500-V630 WeakPolarHBondContact CB-O 3.4Å; Y500-M780 HydrophobicContact CD1-CE 4.45Å; Y500-M780 HydrophobicContact CD1-CG 4.48Å; Y500-M780 HydrophobicContact CD1-SD 4.25Å; Y500-M780 HydrophobicContact CE1-CB 4.33Å; Y500-M780 HydrophobicContact CE1-CE 4.11Å; Y500-M780 HydrophobicContact CE1-CG 3.83Å; Y500-M780 HydrophobicContact CE1-SD 3.39Å; Y500-M780 WeakPolarHBondContact CE1-SD 3.41Å; Y500-M789 HydrophobicContact CD1-CG 4.35Å; Y500-A792 HydrophobicContact CD1-CB 3.95Å; Y500-A792 HydrophobicContact CE1-CB 3.37Å; Y500-G793 VanDerWaalsContact CG-CA 3.47Å; Y500-C796 HydrophobicContact CD2-CB 3.99Å; Y500-C796 HydrophobicContact CE2-CB 3.62Å; Y500-C796 WeakPolarHBondContact CE2-SG 3.36Å |
| 501 | V | 80.2 | Confident | 78.5 | Confident | 53 Ų | 53 | 49.2 Ų | 49.2 | 32% | 0.321 | 28% | 0.282 | S | S | . | . | trans | -93.5 | 115.5 | 171.2 | -177.4 | 0 | 0 | 0 | 0 | 109.7 | V630 R632 T699 | V501-V630 HydrophobicContact CB-CB 3.92Å; V501-V630 HydrophobicContact CB-CG1 3.72Å; V501-V630 HydrophobicContact CG2-CB 4.26Å; V501-V630 HydrophobicContact CG2-CG1 3.58Å; V501-V630 PolarHBondContact N-O 2.78Å; V501-R632 HydrophobicContact CG2-CB 3.91Å; V501-T699 HydrophobicContact CG2-CG2 3.66Å | ||
| 502 | G | 69.8 | Low | 78.9 | Confident | 40 Ų | 40 | 45.5 Ų | 45.5 | 41% | 0.412 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -83.1 | 172.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 503 | G | 63.5 | Low | 79.3 | Confident | 39 Ų | 39 | 45.7 Ų | 45.7 | 40% | 0.402 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 140.6 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 504 | H | 60.9 | Low | 79.5 | Confident | 136 Ų | 136 | 43.6 Ų | 43.6 | 63% | 0.63 | 25% | 0.249 | S | C | * | . | P | Polyproline II helix | trans | -93.6 | 135.1 | 172.2 | -155.7 | 76.5 | 0 | 0 | 0 | 109.9 | E506 | H504-E506 VanDerWaalsContact CD2-CD 3.43Å; H504-E506 VanDerWaalsContact CD2-CG 3.43Å; H504-E506 WeakPolarHBondContact CD2-CG 3.34Å; H504-E506 IonicContact CD2-OE1 2.8Å; H504-E506 PolarHBondContact CD2-OE1 3.27Å; H504-E506 VanDerWaalsContact CD2-OE1 3.22Å; H504-E506 IonicContact NE2-OE1 2.66Å; H504-E506 PolarHBondContact NE2-OE1 3.28Å |
| 505 | V | 62.4 | Low | 79.7 | Confident | 66 Ų | 66 | 44.1 Ų | 44.1 | 40% | 0.4 | 25% | 0.254 | S | S | . | . | trans | -122.9 | 121.6 | -176.2 | -178.5 | 0 | 0 | 0 | 0 | 108.3 | K892 K893 | V505-K892 HydrophobicContact CB-CG 4.47Å; V505-K892 VanDerWaalsContact O-CB 3.32Å; V505-K892 WeakPolarHBondContact O-CB 3.33Å; V505-K892 WeakPolarHBondContact O-CG 3.41Å; V505-K893 HydrophobicContact CG1-CG 4.46Å | ||
| 506 | E | 67.4 | Low | 79.8 | Confident | 81 Ų | 81 | 46.4 Ų | 46.4 | 38% | 0.379 | 27% | 0.266 | S | S | . | . | trans | -139.9 | 143.8 | -175.9 | -72.4 | 179.1 | 161.4 | 0 | 0 | 110.1 | H504 K890 | H504-E506 VanDerWaalsContact CD2-CD 3.43Å; H504-E506 VanDerWaalsContact CD2-CG 3.43Å; H504-E506 WeakPolarHBondContact CD2-CG 3.34Å; H504-E506 IonicContact CD2-OE1 2.8Å; H504-E506 PolarHBondContact CD2-OE1 3.27Å; H504-E506 VanDerWaalsContact CD2-OE1 3.22Å; H504-E506 IonicContact NE2-OE1 2.66Å; H504-E506 PolarHBondContact NE2-OE1 3.28Å; E506-K890 HydrophobicContact CB-CB 3.77Å; E506-K890 HydrophobicContact CB-CD 4.04Å; E506-K890 HydrophobicContact CG-CB 3.86Å; E506-K890 WeakPolarHBondContact OE2-CD 3.39Å | ||
| 507 | A | 69.4 | Low | 80.2 | Confident | 27 Ų | 27 | 44.5 Ų | 44.5 | 22% | 0.223 | 26% | 0.257 | C | S | . | . | trans | -72.2 | 130.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | K890 L891 | A507-K890 WeakPolarHBondContact O-CD 3.41Å; A507-L891 PolarHBondContact N-O 3.49Å; A507-L891 VanDerWaalsContact N-O 3.12Å | ||
| 508 | L | 70.6 | Confident | 80.3 | Confident | 70 Ų | 70 | 45.7 Ų | 45.7 | 37% | 0.366 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -74.7 | -42 | -179.4 | -56.1 | -177 | 0 | 0 | 0 | 111.4 | R807 E811 | L508-R807 HydrophobicContact CD1-CG 4.3Å; L508-R807 VanDerWaalsContact CD2-NH2 3.27Å; L508-E811 WeakPolarHBondContact CD1-OE1 2.99Å |
| 509 | E | 77.6 | Confident | 80.3 | Confident | 119 Ų | 119 | 44.7 Ų | 44.7 | 56% | 0.556 | 26% | 0.26 | S | S | * | . | trans | -127.8 | 165.6 | 179.6 | -57.4 | -164.3 | 161.3 | 0 | 0 | 111 | F513 | E509-F513 HydrophobicContact CB-CZ 4.32Š| ||
| 510 | C | 85.9 | Confident | 80 | Confident | 21 Ų | 21 | 50 Ų | 50 | 14% | 0.142 | 28% | 0.281 | C | S | . | . | trans | -132.7 | 143.7 | 173.2 | 59.1 | 0 | 0 | 0 | 0 | 109.1 | L881 P882 S883 L1091 | C510-L881 CarbonylContact C-O 3.55Å; C510-L881 WeakPolarHBondContact CA-O 3.29Å; C510-L881 WeakPolarHBondContact CB-O 3.48Å; C510-P882 WeakPolarHBondContact CB-O 3.48Å; C510-S883 VanDerWaalsContact SG-CB 3.57Å; C510-L1091 WeakPolarHBondContact SG-CD1 3.5Å | ||
| 511 | G | 90.8 | Very high | 79.6 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.6 | 177.4 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113 | L881 Q1092 | G511-L881 PolarHBondContact N-O 3.08Å; G511-L881 PolarHBondContact O-N 3.41Å; G511-Q1092 VanDerWaalsContact CA-CD 3.41Å; G511-Q1092 VanDerWaalsContact CA-OE1 3.26Å |
| 512 | V | 91.5 | Very high | 79.7 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 125.9 | 166.7 | -176.3 | 0 | 0 | 0 | 0 | 107.5 | K514 V880 F932 L938 V941 Y942 Q1092 | V512-K514 HydrophobicContact CG1-CG 4.1Å; V512-V880 HydrophobicContact CG1-CG2 4.38Å; V512-V880 HydrophobicContact CG2-CG1 4.5Å; V512-F932 HydrophobicContact CB-CD1 4.44Å; V512-F932 HydrophobicContact CG1-CD1 4.24Å; V512-F932 HydrophobicContact CG2-CD1 3.32Å; V512-F932 HydrophobicContact CG2-CE1 3.37Å; V512-F932 HydrophobicContact CG2-CG 4.35Å; V512-F932 HydrophobicContact CG2-CZ 4.42Å; V512-L938 HydrophobicContact CB-CD2 4.48Å; V512-L938 WeakPolarHBondContact O-CD2 3.24Å; V512-V941 HydrophobicContact CG1-CG1 4.1Å; V512-Y942 HydrophobicContact CG2-CE1 4.2Å; V512-Q1092 PolarHBondContact O-NE2 3.03Å |
| 513 | F | 90.7 | Very high | 80.4 | Confident | 18 Ų | 18 | 51.7 Ų | 51.7 | 8% | 0.079 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 121.5 | 178 | -58.2 | -93.5 | 0 | 0 | 0 | 106.9 | E509 I582 A878 M879 L881 | E509-F513 HydrophobicContact CB-CZ 4.32Å; F513-I582 HydrophobicContact CB-CD1 4.18Å; F513-I582 WeakPolarHBondContact O-CD1 3.22Å; F513-A878 CarbonylContact O-C 3.45Å; F513-A878 WeakPolarHBondContact O-CA 3.23Å; F513-M879 PolarHBondContact N-O 3.32Å; F513-M879 PolarHBondContact O-N 2.62Å; F513-L881 HydrophobicContact CD2-CD1 4.39Å; F513-L881 HydrophobicContact CE2-CD1 3.9Å; F513-L881 HydrophobicContact CE2-CG 4.44Å |
| 514 | K | 91.3 | Very high | 81.6 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.009 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 141.3 | 177.8 | -60.2 | 179.4 | 68.5 | -130.4 | 0 | 110 | V512 D516 I517 P580 Q877 A878 G935 V941 | V512-K514 HydrophobicContact CG1-CG 4.1Å; K514-D516 WeakPolarHBondContact CB-OD1 3.16Å; K514-D516 VanDerWaalsContact CE-OD1 3.27Å; K514-D516 WeakPolarHBondContact CE-OD1 3.38Å; K514-D516 IonicContact NZ-OD1 3.74Å; K514-D516 PolarHBondContact NZ-OD1 2.86Å; K514-D516 IonicContact NZ-OD2 3.84Å; K514-D516 PolarHBondContact NZ-OD2 2.81Å; K514-D516 PolarHBondContact O-N 3.33Å; K514-I517 HydrophobicContact CB-CD1 4.23Å; K514-I517 HydrophobicContact CB-CG1 4.25Å; K514-I517 HydrophobicContact CD-CD1 3.76Å; K514-I517 HydrophobicContact CD-CG1 4.44Å; K514-I517 HydrophobicContact CG-CD1 4.32Å; K514-I517 PolarHBondContact O-N 2.76Å; K514-P580 VanDerWaalsContact O-CG 3.29Å; K514-P580 WeakPolarHBondContact O-CG 3.49Å; K514-Q877 WeakPolarHBondContact CA-O 3.13Å; K514-A878 HydrophobicContact CG-CB 4Å; K514-G935 PolarHBondContact NZ-O 2.89Å; K514-G935 VanDerWaalsContact NZ-O 3.1Å; K514-V941 HydrophobicContact CD-CG2 3.84Å |
| 515 | A | 89.1 | Confident | 82.9 | Confident | 15 Ų | 15 | 48.1 Ų | 48.1 | 12% | 0.124 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -15.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P580 Q877 F900 | A515-P580 WeakPolarHBondContact CA-O 3.41Å; A515-Q877 PolarHBondContact N-O 3.24Å; A515-F900 HydrophobicContact CB-CE1 4.37Å; A515-F900 HydrophobicContact CB-CZ 4.07Å |
| 516 | D | 88.6 | Confident | 84.2 | Confident | 69 Ų | 69 | 48.3 Ų | 48.3 | 37% | 0.369 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -9.8 | -179.7 | 62.8 | -22.1 | 0 | 0 | 0 | 114.4 | K514 K579 | K514-D516 WeakPolarHBondContact CB-OD1 3.16Å; K514-D516 VanDerWaalsContact CE-OD1 3.27Å; K514-D516 WeakPolarHBondContact CE-OD1 3.38Å; K514-D516 IonicContact NZ-OD1 3.74Å; K514-D516 PolarHBondContact NZ-OD1 2.86Å; K514-D516 IonicContact NZ-OD2 3.84Å; K514-D516 PolarHBondContact NZ-OD2 2.81Å; K514-D516 PolarHBondContact O-N 3.33Å; D516-K579 VanDerWaalsContact O-CE 3.29Å; D516-K579 WeakPolarHBondContact O-CE 3.49Å |
| 517 | I | 89.8 | Confident | 85.2 | Confident | 10 Ų | 10 | 45.6 Ų | 45.6 | 5% | 0.051 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -105.3 | 126.7 | -179.5 | -60.1 | 177.4 | 0 | 0 | 0 | 109.9 | K514 P580 L938 V941 | K514-I517 HydrophobicContact CB-CD1 4.23Å; K514-I517 HydrophobicContact CB-CG1 4.25Å; K514-I517 HydrophobicContact CD-CD1 3.76Å; K514-I517 HydrophobicContact CD-CG1 4.44Å; K514-I517 HydrophobicContact CG-CD1 4.32Å; K514-I517 PolarHBondContact O-N 2.76Å; I517-P580 WeakPolarHBondContact O-CD 3.45Å; I517-L938 HydrophobicContact CD1-CD2 4.37Å; I517-L938 HydrophobicContact CD1-CG 4.47Å; I517-L938 HydrophobicContact CG2-CG 4.19Å; I517-V941 HydrophobicContact CD1-CG2 3.93Å |
| 518 | P | 85.2 | Confident | 86.1 | Confident | 68 Ų | 68 | 44.4 Ų | 44.4 | 44% | 0.442 | 24% | 0.244 | S | C | . | . | trans | -60.6 | 138.2 | 176.9 | -22.5 | 33.2 | 0 | 0 | 0 | 113.5 | D578 K579 | P518-D578 CarbonylContact C-O 3.53Å; P518-D578 WeakPolarHBondContact CA-O 3.4Å; P518-K579 HydrophobicContact CG-CG 4.22Å | ||
| 519 | N | 84 | Confident | 87.2 | Confident | 25 Ų | 25 | 44 Ų | 44 | 13% | 0.134 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 149.3 | 172.4 | -79 | 4.2 | 0 | 0 | 0 | 110.5 | F521 S577 D578 | N519-F521 HydrophobicContact CB-CE2 4.01Å; N519-F521 HydrophobicContact CB-CZ 4.19Å; N519-F521 WeakPolarHBondContact O-CD2 3.41Å; N519-F521 VanDerWaalsContact O-CE2 3.31Å; N519-F521 WeakPolarHBondContact O-CE2 3.34Å; N519-S577 WeakPolarHBondContact O-CA 3.5Å; N519-D578 PolarHBondContact N-O 2.65Å; N519-D578 PolarHBondContact O-N 3.1Å; N519-D578 VanDerWaalsContact O-N 3.09Å |
| 520 | E | 81.8 | Confident | 87.8 | Confident | 157 Ų | 157 | 40.7 Ų | 40.7 | 73% | 0.734 | 23% | 0.23 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 130.8 | 172.1 | -64.1 | -176.6 | 172.7 | 0 | 0 | 110.4 | R576 | E520-R576 CarbonylContact C-O 3.55Å; E520-R576 WeakPolarHBondContact CA-O 3.2Å |
| 521 | F | 81.4 | Confident | 88 | Confident | 14 Ų | 14 | 40.2 Ų | 40.2 | 6% | 0.061 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 136.4 | 177.2 | -64 | -88.5 | 0 | 0 | 0 | 109.8 | N519 L523 P574 D575 R576 D578 P580 E815 A816 | N519-F521 HydrophobicContact CB-CE2 4.01Å; N519-F521 HydrophobicContact CB-CZ 4.19Å; N519-F521 WeakPolarHBondContact O-CD2 3.41Å; N519-F521 VanDerWaalsContact O-CE2 3.31Å; N519-F521 WeakPolarHBondContact O-CE2 3.34Å; F521-L523 HydrophobicContact CB-CD2 4.04Å; F521-P574 VanDerWaalsContact O-O 3.12Å; F521-D575 WeakPolarHBondContact O-CA 3.27Å; F521-R576 HydrophobicContact CB-CG 4.08Å; F521-R576 PolarHBondContact N-O 3.06Å; F521-R576 PolarHBondContact O-N 2.81Å; F521-R576 VanDerWaalsContact O-N 3.07Å; F521-D578 HydrophobicContact CD2-CB 4.34Å; F521-D578 HydrophobicContact CE2-CB 4.12Å; F521-P580 HydrophobicContact CZ-CB 4Å; F521-E815 HydrophobicContact CE1-CB 4.05Å; F521-A816 HydrophobicContact CE1-CB 3.95Å; F521-A816 HydrophobicContact CZ-CB 3.97Å |
| 522 | H | 82.6 | Confident | 87.9 | Confident | 128 Ų | 128 | 40.9 Ų | 40.9 | 59% | 0.593 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 97.5 | 176.4 | -63.2 | -60.3 | 0 | 0 | 0 | 109.2 | D575 | H522-D575 IonicContact CE1-OD1 2.84Å; H522-D575 IonicContact CG-OD1 3.03Å; H522-D575 IonicContact ND1-OD1 3.91Å; H522-D575 PolarHBondContact ND1-OD1 3.42Å |
| 523 | L | 84.7 | Confident | 88 | Confident | 18 Ų | 18 | 46.1 Ų | 46.1 | 9% | 0.094 | 26% | 0.257 | C | S | . | . | trans | -93.5 | 146.3 | -171.4 | -48.6 | -173.9 | 0 | 0 | 0 | 112.2 | F521 S525 L528 L570 P574 I813 | F521-L523 HydrophobicContact CB-CD2 4.04Å; L523-S525 PolarHBondContact O-N 3.29Å; L523-L528 HydrophobicContact CB-CD1 3.79Å; L523-L528 HydrophobicContact CD1-CD1 4.01Å; L523-L570 HydrophobicContact CD1-CB 3.89Å; L523-L570 HydrophobicContact CD1-CD2 3.64Å; L523-L570 HydrophobicContact CD1-CG 4.27Å; L523-P574 HydrophobicContact CB-CB 4.07Å; L523-P574 WeakPolarHBondContact CG-O 3.4Å; L523-P574 PolarHBondContact N-O 2.93Å; L523-P574 VanDerWaalsContact O-CB 3.31Å; L523-P574 WeakPolarHBondContact O-CB 3.46Å; L523-I813 WeakPolarHBondContact CD2-O 3.35Å | ||
| 524 | N | 88.3 | Confident | 88 | Confident | 53 Ų | 53 | 48 Ų | 48 | 28% | 0.283 | 27% | 0.267 | S | S | . | . | trans | -86.7 | 103.7 | 174.4 | -174.2 | -28.5 | 0 | 0 | 0 | 110.1 | A526 T527 L528 D812 | N524-A526 PolarHBondContact O-N 3.32Å; N524-A526 VanDerWaalsContact O-N 3.17Å; N524-A526 WeakPolarHBondContact OD1-CB 3.48Å; N524-A526 PolarHBondContact OD1-N 2.81Å; N524-T527 PolarHBondContact ND2-OG1 3.15Å; N524-T527 PolarHBondContact O-N 2.79Å; N524-T527 VanDerWaalsContact O-N 3.1Å; N524-T527 PolarHBondContact OD1-N 2.82Å; N524-L528 PolarHBondContact O-N 3.48Å; N524-D812 HydrophobicContact CB-CB 3.93Å; N524-D812 WeakPolarHBondContact CB-O 3.36Å; N524-D812 PolarHBondContact N-O 3.04Å; N524-D812 PolarHBondContact ND2-OD1 2.94Å | ||
| 525 | S | 87.9 | Confident | 87.8 | Confident | 47 Ų | 47 | 48 Ų | 48 | 33% | 0.329 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.1 | -30.5 | -179.9 | -55.1 | 0 | 0 | 0 | 0 | 113.4 | L523 Q529 R571 | L523-S525 PolarHBondContact O-N 3.29Å; S525-Q529 WeakPolarHBondContact O-CB 3.43Å; S525-Q529 PolarHBondContact O-N 3.37Å; S525-R571 PolarHBondContact OG-O 3.37Å; S525-R571 VanDerWaalsContact OG-O 3.05Å |
| 526 | A | 89.5 | Confident | 87.6 | Confident | 71 Ų | 71 | 49.5 Ų | 49.5 | 59% | 0.587 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -71.2 | -40.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N524 Q529 S530 | N524-A526 PolarHBondContact O-N 3.32Å; N524-A526 VanDerWaalsContact O-N 3.17Å; N524-A526 WeakPolarHBondContact OD1-CB 3.48Å; N524-A526 PolarHBondContact OD1-N 2.81Å; A526-Q529 PolarHBondContact O-N 2.79Å; A526-S530 PolarHBondContact O-N 2.69Å |
| 527 | T | 88.3 | Confident | 87.5 | Confident | 23 Ų | 23 | 53 Ų | 53 | 14% | 0.141 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.5 | -39.8 | 175.2 | -54.2 | 0 | 0 | 0 | 0 | 110.9 | N524 S530 L531 L809 D812 I813 | N524-T527 PolarHBondContact ND2-OG1 3.15Å; N524-T527 PolarHBondContact O-N 2.79Å; N524-T527 VanDerWaalsContact O-N 3.1Å; N524-T527 PolarHBondContact OD1-N 2.82Å; T527-S530 WeakPolarHBondContact O-CB 3.44Å; T527-S530 PolarHBondContact O-N 2.65Å; T527-L531 PolarHBondContact O-N 3.48Å; T527-L809 HydrophobicContact CG2-CD1 3.73Å; T527-D812 HydrophobicContact CG2-CB 3.79Å; T527-D812 PolarHBondContact OG1-OD2 2.77Å; T527-I813 HydrophobicContact CG2-CG2 3.78Å |
| 528 | L | 89.4 | Confident | 87.4 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.3 | -38.7 | 173.8 | -70.3 | 171.2 | 0 | 0 | 0 | 112.7 | L523 N524 S530 L531 I532 L567 L570 R571 I813 | L523-L528 HydrophobicContact CB-CD1 3.79Å; L523-L528 HydrophobicContact CD1-CD1 4.01Å; N524-L528 PolarHBondContact O-N 3.48Å; L528-S530 VanDerWaalsContact C-N 3.34Å; L528-L531 PolarHBondContact O-N 3.3Å; L528-I532 WeakPolarHBondContact O-CG1 3.43Å; L528-I532 PolarHBondContact O-N 3.38Å; L528-L567 HydrophobicContact CD2-CD2 4.15Å; L528-L570 VanDerWaalsContact CD1-C 3.49Å; L528-L570 HydrophobicContact CD1-CB 3.81Å; L528-L570 HydrophobicContact CD2-CB 4.21Å; L528-R571 HydrophobicContact CB-CB 4.05Å; L528-R571 HydrophobicContact CB-CG 4.45Å; L528-R571 HydrophobicContact CD1-CB 4.3Å; L528-I813 HydrophobicContact CD2-CB 4.4Å; L528-I813 HydrophobicContact CD2-CG2 4.11Å |
| 529 | Q | 93.4 | Very high | 87.3 | Confident | 62 Ų | 62 | 49.9 Ų | 49.9 | 29% | 0.29 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 173.1 | -172.7 | 59.2 | 52.1 | 0 | 0 | 111.1 | S525 A526 L531 I532 D533 | S525-Q529 WeakPolarHBondContact O-CB 3.43Å; S525-Q529 PolarHBondContact O-N 3.37Å; A526-Q529 PolarHBondContact O-N 2.79Å; Q529-L531 VanDerWaalsContact C-N 3.28Å; Q529-L531 PolarHBondContact O-N 3.32Å; Q529-I532 WeakPolarHBondContact O-CB 3.21Å; Q529-I532 PolarHBondContact O-N 2.84Å; Q529-I532 VanDerWaalsContact O-N 3.1Å; Q529-D533 PolarHBondContact NE2-OD1 3.08Å; Q529-D533 PolarHBondContact O-N 3.1Å |
| 530 | S | 90 | Very high | 87.2 | Confident | 50 Ų | 50 | 51.3 Ų | 51.3 | 35% | 0.35 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.3 | -37.5 | 174.5 | -173 | 0 | 0 | 0 | 0 | 112.7 | A526 T527 L528 D533 E534 | A526-S530 PolarHBondContact O-N 2.69Å; T527-S530 WeakPolarHBondContact O-CB 3.44Å; T527-S530 PolarHBondContact O-N 2.65Å; L528-S530 VanDerWaalsContact C-N 3.34Å; S530-D533 PolarHBondContact O-N 2.97Å; S530-E534 WeakPolarHBondContact O-CB 3.47Å; S530-E534 WeakPolarHBondContact O-CG 3.39Å; S530-E534 PolarHBondContact O-N 2.78Å |
| 531 | L | 89.9 | Confident | 87.2 | Confident | 10 Ų | 10 | 45.6 Ų | 45.6 | 5% | 0.052 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.8 | -34.9 | 175.7 | -68.5 | -175.3 | 0 | 0 | 0 | 112.7 | T527 L528 Q529 L535 L567 I813 Y831 V835 | T527-L531 PolarHBondContact O-N 3.48Å; L528-L531 PolarHBondContact O-N 3.3Å; Q529-L531 VanDerWaalsContact C-N 3.28Å; Q529-L531 PolarHBondContact O-N 3.32Å; L531-L535 WeakPolarHBondContact O-CA 3.41Å; L531-L535 WeakPolarHBondContact O-CB 3.38Å; L531-L535 PolarHBondContact O-N 3.27Å; L531-L567 HydrophobicContact CB-CD1 4.23Å; L531-L567 HydrophobicContact CB-CD2 4.48Å; L531-L567 HydrophobicContact CD1-CD2 4.44Å; L531-I813 HydrophobicContact CD1-CD1 4.32Å; L531-I813 HydrophobicContact CD1-CG2 3.83Å; L531-Y831 PolarHBondContact O-OH 2.92Å; L531-V835 HydrophobicContact CD2-CG1 3.7Å; L531-V835 HydrophobicContact CD2-CG2 4.14Å |
| 532 | I | 89.2 | Confident | 87.1 | Confident | 16 Ų | 16 | 45.6 Ų | 45.6 | 8% | 0.082 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 173.6 | -69.3 | 164.4 | 0 | 0 | 0 | 109.9 | L528 Q529 L535 R564 L567 I568 R571 | L528-I532 WeakPolarHBondContact O-CG1 3.43Å; L528-I532 PolarHBondContact O-N 3.38Å; Q529-I532 WeakPolarHBondContact O-CB 3.21Å; Q529-I532 PolarHBondContact O-N 2.84Å; Q529-I532 VanDerWaalsContact O-N 3.1Å; I532-L535 WeakPolarHBondContact O-CB 3.27Å; I532-L535 PolarHBondContact O-N 3.17Å; I532-R564 HydrophobicContact CG2-CG 4.16Å; I532-L567 HydrophobicContact CD1-CB 4.02Å; I532-L567 HydrophobicContact CG1-CB 3.52Å; I532-L567 HydrophobicContact CG1-CD1 4.05Å; I532-L567 HydrophobicContact CG1-CG 4.42Å; I532-I568 HydrophobicContact CD1-CG1 3.87Å; I532-R571 HydrophobicContact CD1-CB 4.49Å |
| 533 | D | 92.1 | Very high | 86.8 | Confident | 111 Ų | 111 | 40 Ų | 40 | 59% | 0.594 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -67.3 | -38.2 | -178.1 | -59.6 | -19.2 | 0 | 0 | 0 | 111.4 | Q529 S530 | Q529-D533 PolarHBondContact NE2-OD1 3.08Å; Q529-D533 PolarHBondContact O-N 3.1Å; S530-D533 PolarHBondContact O-N 2.97Å |
| 534 | E | 90.8 | Very high | 86.3 | Confident | 58 Ų | 58 | 47 Ų | 47 | 27% | 0.271 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 3.9 | 179.6 | -63.5 | -175.6 | 167.1 | 0 | 0 | 113.8 | S530 S536 E537 T538 K842 | S530-E534 WeakPolarHBondContact O-CB 3.47Å; S530-E534 WeakPolarHBondContact O-CG 3.39Å; S530-E534 PolarHBondContact O-N 2.78Å; E534-S536 PolarHBondContact O-N 3.25Å; E534-E537 PolarHBondContact O-N 3.11Å; E534-T538 WeakPolarHBondContact O-CB 3.19Å; E534-T538 PolarHBondContact O-N 3.47Å; E534-T538 PolarHBondContact O-OG1 3.2Å; E534-K842 IonicContact OE1-NZ 2.93Å; E534-K842 PolarHBondContact OE1-NZ 3.31Å |
| 535 | L | 88.4 | Confident | 85.6 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.2 | -53.6 | -171.2 | 173.7 | 58.4 | 0 | 0 | 0 | 113 | L531 I532 E537 T538 V539 C560 I563 R564 Y831 | L531-L535 WeakPolarHBondContact O-CA 3.41Å; L531-L535 WeakPolarHBondContact O-CB 3.38Å; L531-L535 PolarHBondContact O-N 3.27Å; I532-L535 WeakPolarHBondContact O-CB 3.27Å; I532-L535 PolarHBondContact O-N 3.17Å; L535-E537 VanDerWaalsContact C-N 3.3Å; L535-E537 PolarHBondContact O-N 2.98Å; L535-T538 PolarHBondContact O-N 3Å; L535-V539 HydrophobicContact CD1-CG2 3.86Å; L535-V539 WeakPolarHBondContact O-CG2 3.38Å; L535-V539 PolarHBondContact O-N 3.2Å; L535-C560 HydrophobicContact CD2-CB 4.49Å; L535-C560 VanDerWaalsContact CD2-O 3.25Å; L535-C560 WeakPolarHBondContact CD2-O 3.23Å; L535-I563 HydrophobicContact CD1-CB 3.98Å; L535-I563 HydrophobicContact CD1-CD1 4.32Å; L535-I563 HydrophobicContact CD1-CG2 3.45Å; L535-I563 VanDerWaalsContact CD1-CG2 3.45Å; L535-I563 HydrophobicContact CD2-CB 4.16Å; L535-I563 HydrophobicContact CD2-CG2 4.11Å; L535-I563 HydrophobicContact CG-CG2 4.46Å; L535-R564 HydrophobicContact CD2-CB 3.71Å; L535-R564 HydrophobicContact CD2-CG 4.47Å; L535-Y831 HydrophobicContact CD1-CD2 4.14Å; L535-Y831 HydrophobicContact CD1-CE2 3.27Å; L535-Y831 VanDerWaalsContact CD1-CZ 3.49Å; L535-Y831 WeakPolarHBondContact CD1-OH 3.42Å |
| 536 | S | 85.3 | Confident | 84.7 | Confident | 47 Ų | 47 | 52.3 Ų | 52.3 | 33% | 0.329 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.2 | -40.9 | -176.4 | -57 | 0 | 0 | 0 | 0 | 111.4 | E534 Q540 | E534-S536 PolarHBondContact O-N 3.25Å; S536-Q540 WeakPolarHBondContact O-CB 3.49Å; S536-Q540 VanDerWaalsContact O-CG 3.25Å; S536-Q540 WeakPolarHBondContact O-CG 3.38Å; S536-Q540 PolarHBondContact O-N 3.33Å |
| 537 | E | 86.6 | Confident | 83.7 | Confident | 143 Ų | 143 | 52.2 Ų | 52.2 | 67% | 0.668 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -66.2 | -41.4 | 177.3 | -171.5 | 180 | 175.6 | 0 | 0 | 111.4 | E534 L535 Q540 Y541 | E534-E537 PolarHBondContact O-N 3.11Å; L535-E537 VanDerWaalsContact C-N 3.3Å; L535-E537 PolarHBondContact O-N 2.98Å; E537-Q540 PolarHBondContact O-N 2.96Å; E537-Y541 WeakPolarHBondContact O-CB 3.47Å; E537-Y541 PolarHBondContact O-N 2.62Å |
| 538 | T | 87.2 | Confident | 82.8 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 179.1 | -60.2 | 0 | 0 | 0 | 0 | 112 | E534 L535 Y541 A542 Y831 A834 V835 A838 | E534-T538 WeakPolarHBondContact O-CB 3.19Å; E534-T538 PolarHBondContact O-N 3.47Å; E534-T538 PolarHBondContact O-OG1 3.2Å; L535-T538 PolarHBondContact O-N 3Å; T538-Y541 PolarHBondContact O-N 2.97Å; T538-A542 PolarHBondContact O-N 3.12Å; T538-Y831 HydrophobicContact CG2-CE2 3.96Å; T538-A834 HydrophobicContact CG2-CB 3.84Å; T538-V835 HydrophobicContact CG2-CG2 4.01Å; T538-A838 HydrophobicContact CG2-CB 4.18Å |
| 539 | V | 81.9 | Confident | 81.8 | Confident | 7 Ų | 7 | 54.2 Ų | 54.2 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69 | -44 | 178.9 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | L535 Y541 A542 C543 F556 I563 L829 Y831 | L535-V539 HydrophobicContact CD1-CG2 3.86Å; L535-V539 WeakPolarHBondContact O-CG2 3.38Å; L535-V539 PolarHBondContact O-N 3.2Å; V539-Y541 VanDerWaalsContact C-N 3.26Å; V539-Y541 PolarHBondContact O-N 3.49Å; V539-A542 PolarHBondContact O-N 2.98Å; V539-C543 PolarHBondContact O-N 3.32Å; V539-C543 PolarHBondContact O-SG 2.99Å; V539-F556 HydrophobicContact CB-CE2 3.91Å; V539-F556 HydrophobicContact CB-CZ 4.39Å; V539-F556 HydrophobicContact CG1-CD2 4.1Å; V539-F556 HydrophobicContact CG1-CE2 3.57Å; V539-F556 HydrophobicContact CG1-CZ 4.47Å; V539-I563 HydrophobicContact CG2-CD1 4.24Å; V539-L829 HydrophobicContact CG1-CD1 4.12Å; V539-Y831 HydrophobicContact CG2-CD2 4.23Å; V539-Y831 HydrophobicContact CG2-CE2 4.24Å |
| 540 | Q | 82 | Confident | 80.6 | Confident | 56 Ų | 56 | 55.4 Ų | 55.4 | 26% | 0.262 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -56.8 | -41.9 | 174.2 | -77.8 | 178.5 | 6.2 | 0 | 0 | 111.9 | S536 E537 R544 F550 F556 | S536-Q540 WeakPolarHBondContact O-CB 3.49Å; S536-Q540 VanDerWaalsContact O-CG 3.25Å; S536-Q540 WeakPolarHBondContact O-CG 3.38Å; S536-Q540 PolarHBondContact O-N 3.33Å; E537-Q540 PolarHBondContact O-N 2.96Å; Q540-R544 WeakPolarHBondContact O-CB 3.28Å; Q540-R544 VanDerWaalsContact O-CG 3.3Å; Q540-R544 WeakPolarHBondContact O-CG 3.48Å; Q540-R544 PolarHBondContact O-N 3.1Å; Q540-F550 HydrophobicContact CG-CD2 4.27Å; Q540-F550 HydrophobicContact CG-CE2 4.01Å; Q540-F556 HydrophobicContact CG-CE1 4.49Å; Q540-F556 HydrophobicContact CG-CE2 3.78Å; Q540-F556 HydrophobicContact CG-CZ 3.58Å |
| 541 | Y | 82 | Confident | 79.7 | Confident | 37 Ų | 37 | 60.7 Ų | 60.7 | 15% | 0.145 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 177.2 | 168.9 | -117.7 | 0 | 0 | 0 | 112.4 | E537 T538 V539 R544 S545 N837 A838 R841 | E537-Y541 WeakPolarHBondContact O-CB 3.47Å; E537-Y541 PolarHBondContact O-N 2.62Å; T538-Y541 PolarHBondContact O-N 2.97Å; V539-Y541 VanDerWaalsContact C-N 3.26Å; V539-Y541 PolarHBondContact O-N 3.49Å; Y541-R544 PolarHBondContact O-N 2.79Å; Y541-S545 WeakPolarHBondContact CD2-OG 3.11Å; Y541-S545 WeakPolarHBondContact CE2-OG 3.31Å; Y541-S545 WeakPolarHBondContact O-CB 3.42Å; Y541-S545 PolarHBondContact O-N 3.48Å; Y541-S545 PolarHBondContact O-OG 2.7Å; Y541-N837 HydrophobicContact CE1-CB 3.86Å; Y541-A838 HydrophobicContact CD1-CB 4.12Å; Y541-R841 HydrophobicContact CE1-CB 4.5Å; Y541-R841 VanDerWaalsContact CE2-CD 3.45Å |
| 542 | A | 79.4 | Confident | 78.8 | Confident | 14 Ų | 14 | 66.5 Ų | 66.5 | 12% | 0.116 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T538 V539 R544 S545 E546 L829 A834 | T538-A542 PolarHBondContact O-N 3.12Å; V539-A542 PolarHBondContact O-N 2.98Å; A542-R544 PolarHBondContact O-N 3.34Å; A542-S545 PolarHBondContact O-N 3.02Å; A542-E546 PolarHBondContact O-N 3.4Å; A542-L829 HydrophobicContact CB-CD1 3.45Å; A542-L829 VanDerWaalsContact CB-CD1 3.45Å; A542-L829 HydrophobicContact CB-CG 4.1Å; A542-A834 HydrophobicContact CB-CB 3.6Å |
| 543 | C | 75.7 | Confident | 77.8 | Confident | 11 Ų | 11 | 67.3 Ų | 67.3 | 7% | 0.074 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 175.4 | -62.2 | 0 | 0 | 0 | 0 | 112.4 | V539 S545 E546 G547 I548 I553 | V539-C543 PolarHBondContact O-N 3.32Å; V539-C543 PolarHBondContact O-SG 2.99Å; C543-S545 VanDerWaalsContact C-N 3.27Å; C543-S545 PolarHBondContact O-N 2.81Å; C543-E546 PolarHBondContact O-N 2.89Å; C543-G547 PolarHBondContact O-N 2.84Å; C543-I548 PolarHBondContact O-N 3.35Å; C543-I553 HydrophobicContact CB-CD1 3.53Å; C543-I553 VanDerWaalsContact SG-CD1 3.51Å |
| 544 | R | 75.4 | Confident | 77 | Confident | 163 Ų | 163 | 71.4 Ų | 71.4 | 62% | 0.615 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -62.1 | -34.9 | 175.5 | -72.7 | 174.9 | -177.3 | 164.3 | 3.8 | 112.5 | Q540 Y541 A542 E546 G547 | Q540-R544 WeakPolarHBondContact O-CB 3.28Å; Q540-R544 VanDerWaalsContact O-CG 3.3Å; Q540-R544 WeakPolarHBondContact O-CG 3.48Å; Q540-R544 PolarHBondContact O-N 3.1Å; Y541-R544 PolarHBondContact O-N 2.79Å; A542-R544 PolarHBondContact O-N 3.34Å; R544-E546 VanDerWaalsContact C-N 3.28Å; R544-E546 PolarHBondContact O-N 3.29Å; R544-G547 PolarHBondContact O-N 2.91Å; R544-G547 VanDerWaalsContact O-N 3.14Å |
| 545 | S | 73.5 | Confident | 76.4 | Confident | 65 Ų | 65 | 72.3 Ų | 72.3 | 46% | 0.455 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.8 | -27.3 | 179.3 | -58.8 | 0 | 0 | 0 | 0 | 112.7 | Y541 A542 C543 G547 | Y541-S545 WeakPolarHBondContact CD2-OG 3.11Å; Y541-S545 WeakPolarHBondContact CE2-OG 3.31Å; Y541-S545 WeakPolarHBondContact O-CB 3.42Å; Y541-S545 PolarHBondContact O-N 3.48Å; Y541-S545 PolarHBondContact O-OG 2.7Å; A542-S545 PolarHBondContact O-N 3.02Å; C543-S545 VanDerWaalsContact C-N 3.27Å; C543-S545 PolarHBondContact O-N 2.81Å; S545-G547 VanDerWaalsContact C-N 3.29Å |
| 546 | E | 68.8 | Low | 76 | Confident | 147 Ų | 147 | 73.5 Ų | 73.5 | 69% | 0.687 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | 4.1 | 172.7 | -64.9 | -63.1 | 151 | 0 | 0 | 112.7 | A542 C543 R544 I548 | A542-E546 PolarHBondContact O-N 3.4Å; C543-E546 PolarHBondContact O-N 2.89Å; R544-E546 VanDerWaalsContact C-N 3.28Å; R544-E546 PolarHBondContact O-N 3.29Å; E546-I548 VanDerWaalsContact C-N 3.34Å; E546-I548 HydrophobicContact CB-CD1 3.82Å; E546-I548 PolarHBondContact O-N 3.49Å |
| 547 | G | 67.9 | Low | 75.6 | Confident | 69 Ų | 69 | 75 Ų | 75 | 71% | 0.711 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | 14.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | C543 R544 S545 | C543-G547 PolarHBondContact O-N 2.84Å; R544-G547 PolarHBondContact O-N 2.91Å; R544-G547 VanDerWaalsContact O-N 3.14Å; S545-G547 VanDerWaalsContact C-N 3.29Å |
| 548 | I | 70.3 | Confident | 75.2 | Confident | 29 Ų | 29 | 75 Ų | 75 | 15% | 0.149 | 39% | 0.387 | C | S | . | . | trans | -89.7 | 128 | -179.5 | -63.5 | 144.6 | 0 | 0 | 0 | 109.1 | C543 E546 E552 I553 V827 | C543-I548 PolarHBondContact O-N 3.35Å; E546-I548 VanDerWaalsContact C-N 3.34Å; E546-I548 HydrophobicContact CB-CD1 3.82Å; E546-I548 PolarHBondContact O-N 3.49Å; I548-E552 HydrophobicContact CG2-CB 4.16Å; I548-I553 HydrophobicContact CG2-CD1 4.02Å; I548-I553 HydrophobicContact CG2-CG1 3.77Å; I548-V827 HydrophobicContact CD1-CB 3.91Å; I548-V827 HydrophobicContact CD1-CG1 3.29Å; I548-V827 HydrophobicContact CD1-CG2 3.33Å; I548-V827 HydrophobicContact CG1-CG2 4.15Å | ||
| 549 | S | 68.8 | Low | 74.8 | Confident | 39 Ų | 39 | 76 Ų | 76 | 27% | 0.273 | 40% | 0.396 | S | S | . | . | trans | -68.6 | 144.3 | 175.3 | 75.5 | 0 | 0 | 0 | 0 | 109.6 | E551 E552 | S549-E551 VanDerWaalsContact CB-OE2 3.3Å; S549-E551 WeakPolarHBondContact CB-OE2 3.28Å; S549-E551 PolarHBondContact O-N 3.35Å; S549-E552 PolarHBondContact O-N 3.15Å; S549-E552 VanDerWaalsContact O-N 3.11Å; S549-E552 WeakPolarHBondContact OG-CG 3.19Å; S549-E552 PolarHBondContact OG-OE1 3.49Å | ||
| 550 | F | 68.5 | Low | 74.9 | Confident | 86 Ų | 86 | 75.8 Ų | 75.8 | 38% | 0.377 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -64.9 | -26.5 | -176.6 | -176.7 | -102.5 | 0 | 0 | 0 | 111.1 | Q540 E552 I553 F556 | Q540-F550 HydrophobicContact CG-CD2 4.27Å; Q540-F550 HydrophobicContact CG-CE2 4.01Å; F550-E552 VanDerWaalsContact C-N 3.27Å; F550-E552 PolarHBondContact O-N 3.17Å; F550-I553 PolarHBondContact O-N 2.81Å; F550-F556 HydrophobicContact CD2-CD2 4.39Å; F550-F556 HydrophobicContact CE2-CB 4.25Å; F550-F556 AromaticContact CE2-CD1 3.68Å; F550-F556 HydrophobicContact CE2-CD1 3.68Å; F550-F556 AromaticContact CE2-CD2 3.63Å; F550-F556 HydrophobicContact CE2-CD2 3.63Å; F550-F556 AromaticContact CE2-CE1 3.91Å; F550-F556 HydrophobicContact CE2-CE1 3.91Å; F550-F556 AromaticContact CE2-CE2 3.83Å; F550-F556 HydrophobicContact CE2-CE2 3.83Å; F550-F556 AromaticContact CE2-CG 3.55Å; F550-F556 HydrophobicContact CE2-CG 3.55Å; F550-F556 AromaticContact CE2-CZ 3.99Å; F550-F556 HydrophobicContact CE2-CZ 3.99Å; F550-F556 HydrophobicContact CZ-CB 4.46Å; F550-F556 AromaticContact CZ-CD1 3.75Å; F550-F556 HydrophobicContact CZ-CD1 3.75Å; F550-F556 HydrophobicContact CZ-CD2 4.47Å; F550-F556 HydrophobicContact CZ-CE1 4.12Å; F550-F556 AromaticContact CZ-CG 3.96Å; F550-F556 HydrophobicContact CZ-CG 3.96Å |
| 551 | E | 70.5 | Confident | 75 | Confident | 161 Ų | 161 | 76.5 Ų | 76.5 | 75% | 0.752 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -66.8 | -23.4 | 177.1 | -59.7 | 75.2 | -164.2 | 0 | 0 | 113.1 | S549 I553 | S549-E551 VanDerWaalsContact CB-OE2 3.3Å; S549-E551 WeakPolarHBondContact CB-OE2 3.28Å; S549-E551 PolarHBondContact O-N 3.35Å; E551-I553 VanDerWaalsContact C-N 3.33Å |
| 552 | E | 70.2 | Confident | 75.1 | Confident | 132 Ų | 132 | 77.6 Ų | 77.6 | 62% | 0.617 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -82.2 | -8.4 | 176.9 | -75.9 | 160.6 | -140.7 | 0 | 0 | 113.3 | I548 S549 F550 E554 | I548-E552 HydrophobicContact CG2-CB 4.16Å; S549-E552 PolarHBondContact O-N 3.15Å; S549-E552 VanDerWaalsContact O-N 3.11Å; S549-E552 WeakPolarHBondContact OG-CG 3.19Å; S549-E552 PolarHBondContact OG-OE1 3.49Å; F550-E552 VanDerWaalsContact C-N 3.27Å; F550-E552 PolarHBondContact O-N 3.17Å; E552-E554 PolarHBondContact O-N 2.83Å |
| 553 | I | 69.1 | Low | 75.3 | Confident | 33 Ų | 33 | 77.5 Ų | 77.5 | 17% | 0.169 | 41% | 0.407 | C | S | . | . | trans | -100.3 | 91.7 | -172.3 | -50 | 176.1 | 0 | 0 | 0 | 110.5 | C543 I548 F550 E551 N555 F556 | C543-I553 HydrophobicContact CB-CD1 3.53Å; C543-I553 VanDerWaalsContact SG-CD1 3.51Å; I548-I553 HydrophobicContact CG2-CD1 4.02Å; I548-I553 HydrophobicContact CG2-CG1 3.77Å; F550-I553 PolarHBondContact O-N 2.81Å; E551-I553 VanDerWaalsContact C-N 3.33Å; I553-N555 PolarHBondContact O-N 3.43Å; I553-F556 HydrophobicContact CB-CB 4.42Å; I553-F556 HydrophobicContact CG2-CB 3.78Å | ||
| 554 | E | 74.8 | Confident | 75.9 | Confident | 197 Ų | 197 | 80.1 Ų | 80.1 | 92% | 0.921 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -34.6 | -176.6 | -62.2 | -179.6 | 171.6 | 0 | 0 | 113.8 | E552 | E552-E554 PolarHBondContact O-N 2.83Š|
| 555 | N | 78.2 | Confident | 76.5 | Confident | 78 Ų | 78 | 78 Ų | 78 | 42% | 0.417 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | 23.9 | -170.9 | 71.8 | -29.7 | 0 | 0 | 0 | 114.3 | I553 S557 E558 A559 | I553-N555 PolarHBondContact O-N 3.43Å; N555-S557 VanDerWaalsContact C-N 3.35Å; N555-S557 PolarHBondContact O-N 3.27Å; N555-E558 HydrophobicContact CB-CB 4.5Å; N555-E558 PolarHBondContact O-N 3.48Å; N555-A559 PolarHBondContact O-N 2.9Å |
| 556 | F | 79.4 | Confident | 77.2 | Confident | 25 Ų | 25 | 78.7 Ų | 78.7 | 11% | 0.11 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -55.5 | -45.8 | -176 | 177.7 | -94.2 | 0 | 0 | 0 | 113.1 | V539 Q540 F550 I553 A559 C560 | V539-F556 HydrophobicContact CB-CE2 3.91Å; V539-F556 HydrophobicContact CB-CZ 4.39Å; V539-F556 HydrophobicContact CG1-CD2 4.1Å; V539-F556 HydrophobicContact CG1-CE2 3.57Å; V539-F556 HydrophobicContact CG1-CZ 4.47Å; Q540-F556 HydrophobicContact CG-CE1 4.49Å; Q540-F556 HydrophobicContact CG-CE2 3.78Å; Q540-F556 HydrophobicContact CG-CZ 3.58Å; F550-F556 HydrophobicContact CD2-CD2 4.39Å; F550-F556 HydrophobicContact CE2-CB 4.25Å; F550-F556 AromaticContact CE2-CD1 3.68Å; F550-F556 HydrophobicContact CE2-CD1 3.68Å; F550-F556 AromaticContact CE2-CD2 3.63Å; F550-F556 HydrophobicContact CE2-CD2 3.63Å; F550-F556 AromaticContact CE2-CE1 3.91Å; F550-F556 HydrophobicContact CE2-CE1 3.91Å; F550-F556 AromaticContact CE2-CE2 3.83Å; F550-F556 HydrophobicContact CE2-CE2 3.83Å; F550-F556 AromaticContact CE2-CG 3.55Å; F550-F556 HydrophobicContact CE2-CG 3.55Å; F550-F556 AromaticContact CE2-CZ 3.99Å; F550-F556 HydrophobicContact CE2-CZ 3.99Å; F550-F556 HydrophobicContact CZ-CB 4.46Å; F550-F556 AromaticContact CZ-CD1 3.75Å; F550-F556 HydrophobicContact CZ-CD1 3.75Å; F550-F556 HydrophobicContact CZ-CD2 4.47Å; F550-F556 HydrophobicContact CZ-CE1 4.12Å; F550-F556 AromaticContact CZ-CG 3.96Å; F550-F556 HydrophobicContact CZ-CG 3.96Å; I553-F556 HydrophobicContact CB-CB 4.42Å; I553-F556 HydrophobicContact CG2-CB 3.78Å; F556-A559 PolarHBondContact O-N 2.89Å; F556-C560 WeakPolarHBondContact CZ-SG 3.06Å; F556-C560 PolarHBondContact O-N 3.25Å; F556-C560 PolarHBondContact O-SG 2.5Å |
| 557 | S | 78.3 | Confident | 78.1 | Confident | 79 Ų | 79 | 72 Ų | 72 | 55% | 0.552 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -63.7 | -47.2 | -179.9 | -166.1 | 0 | 0 | 0 | 0 | 111.3 | N555 A559 C560 D561 | N555-S557 VanDerWaalsContact C-N 3.35Å; N555-S557 PolarHBondContact O-N 3.27Å; S557-A559 VanDerWaalsContact C-N 3.35Å; S557-A559 PolarHBondContact O-N 3.43Å; S557-C560 PolarHBondContact O-N 3.44Å; S557-D561 WeakPolarHBondContact O-CB 3.45Å; S557-D561 PolarHBondContact O-N 2.8Å; S557-D561 PolarHBondContact OG-OD2 3.42Å |
| 558 | E | 78 | Confident | 79.1 | Confident | 141 Ų | 141 | 71.1 Ų | 71.1 | 66% | 0.659 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -60.2 | -44.1 | 179.5 | -172.9 | -173.7 | -179.9 | 0 | 0 | 111.5 | N555 C560 D561 D562 | N555-E558 HydrophobicContact CB-CB 4.5Å; N555-E558 PolarHBondContact O-N 3.48Å; E558-C560 PolarHBondContact O-N 2.84Å; E558-D561 PolarHBondContact O-N 3.41Å; E558-D562 PolarHBondContact O-N 2.9Å |
| 559 | A | 79 | Confident | 80 | Confident | 27 Ų | 27 | 73.2 Ų | 73.2 | 22% | 0.223 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.4 | -41 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N555 F556 S557 I563 | N555-A559 PolarHBondContact O-N 2.9Å; F556-A559 PolarHBondContact O-N 2.89Å; S557-A559 VanDerWaalsContact C-N 3.35Å; S557-A559 PolarHBondContact O-N 3.43Å; A559-I563 VanDerWaalsContact O-CG1 3.3Å; A559-I563 WeakPolarHBondContact O-CG1 3.49Å; A559-I563 PolarHBondContact O-N 3.44Å; A559-I563 VanDerWaalsContact O-N 3.14Å |
| 560 | C | 82.6 | Confident | 80.9 | Confident | 3 Ų | 3 | 73 Ų | 73 | 2% | 0.02 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.4 | -40.2 | 174.7 | -70.2 | 0 | 0 | 0 | 0 | 111.8 | L535 F556 S557 E558 I563 R564 | L535-C560 HydrophobicContact CD2-CB 4.49Å; L535-C560 VanDerWaalsContact CD2-O 3.25Å; L535-C560 WeakPolarHBondContact CD2-O 3.23Å; F556-C560 WeakPolarHBondContact CZ-SG 3.06Å; F556-C560 PolarHBondContact O-N 3.25Å; F556-C560 PolarHBondContact O-SG 2.5Å; S557-C560 PolarHBondContact O-N 3.44Å; E558-C560 PolarHBondContact O-N 2.84Å; C560-I563 PolarHBondContact O-N 2.93Å; C560-R564 VanDerWaalsContact O-CB 3.23Å; C560-R564 WeakPolarHBondContact O-CB 3.25Å; C560-R564 PolarHBondContact O-N 3.29Å |
| 561 | D | 85 | Confident | 81.9 | Confident | 70 Ų | 70 | 71.9 Ų | 71.9 | 37% | 0.374 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.7 | -40.5 | 179.6 | -66.9 | -27.6 | 0 | 0 | 0 | 111.5 | S557 E558 R564 L565 | S557-D561 WeakPolarHBondContact O-CB 3.45Å; S557-D561 PolarHBondContact O-N 2.8Å; S557-D561 PolarHBondContact OG-OD2 3.42Å; E558-D561 PolarHBondContact O-N 3.41Å; D561-R564 PolarHBondContact O-N 3.49Å; D561-R564 IonicContact OD1-CZ 3.64Å; D561-R564 IonicContact OD1-NH1 2.78Å; D561-R564 PolarHBondContact OD1-NH1 3.14Å; D561-L565 WeakPolarHBondContact O-CG 3.39Å; D561-L565 PolarHBondContact O-N 3.05Å |
| 562 | D | 83.6 | Confident | 82.8 | Confident | 60 Ų | 60 | 68.5 Ų | 68.5 | 32% | 0.321 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 174.1 | 179.6 | 44.2 | 0 | 0 | 0 | 112.2 | E558 R564 L565 K566 | E558-D562 PolarHBondContact O-N 2.9Å; D562-R564 VanDerWaalsContact C-N 3.33Å; D562-R564 PolarHBondContact O-N 2.94Å; D562-L565 PolarHBondContact O-N 3.22Å; D562-K566 VanDerWaalsContact CG-NZ 3.27Å; D562-K566 WeakPolarHBondContact O-CG 3.36Å; D562-K566 PolarHBondContact O-N 3.32Å; D562-K566 VanDerWaalsContact OD1-CE 3.22Å; D562-K566 WeakPolarHBondContact OD1-CE 3.19Å; D562-K566 IonicContact OD1-NZ 2.69Å; D562-K566 PolarHBondContact OD1-NZ 3.13Å; D562-K566 VanDerWaalsContact OD1-NZ 3.12Å; D562-K566 IonicContact OD2-NZ 2.7Å; D562-K566 PolarHBondContact OD2-NZ 2.8Å |
| 563 | I | 84.6 | Confident | 83.6 | Confident | 12 Ų | 12 | 66 Ų | 66 | 6% | 0.062 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 175.7 | -62.9 | 165.9 | 0 | 0 | 0 | 110.4 | L535 V539 A559 C560 K566 L567 L820 Y831 | L535-I563 HydrophobicContact CD1-CB 3.98Å; L535-I563 HydrophobicContact CD1-CD1 4.32Å; L535-I563 HydrophobicContact CD1-CG2 3.45Å; L535-I563 VanDerWaalsContact CD1-CG2 3.45Å; L535-I563 HydrophobicContact CD2-CB 4.16Å; L535-I563 HydrophobicContact CD2-CG2 4.11Å; L535-I563 HydrophobicContact CG-CG2 4.46Å; V539-I563 HydrophobicContact CG2-CD1 4.24Å; A559-I563 VanDerWaalsContact O-CG1 3.3Å; A559-I563 WeakPolarHBondContact O-CG1 3.49Å; A559-I563 PolarHBondContact O-N 3.44Å; A559-I563 VanDerWaalsContact O-N 3.14Å; C560-I563 PolarHBondContact O-N 2.93Å; I563-K566 PolarHBondContact O-N 3.35Å; I563-L567 HydrophobicContact CG2-CD1 3.92Å; I563-L567 HydrophobicContact CG2-CG 4.24Å; I563-L567 WeakPolarHBondContact O-CG 3.38Å; I563-L567 PolarHBondContact O-N 3.42Å; I563-L820 HydrophobicContact CD1-CD1 4.28Å; I563-L820 HydrophobicContact CG1-CD1 4.45Å; I563-Y831 HydrophobicContact CD1-CD2 4.04Å; I563-Y831 HydrophobicContact CD1-CG 4.22Å; I563-Y831 HydrophobicContact CG2-CD1 3.9Å; I563-Y831 HydrophobicContact CG2-CD2 4.27Å; I563-Y831 HydrophobicContact CG2-CE1 3.78Å; I563-Y831 HydrophobicContact CG2-CE2 4.19Å; I563-Y831 HydrophobicContact CG2-CG 4.14Å |
| 564 | R | 88.4 | Confident | 84.3 | Confident | 67 Ų | 67 | 65.9 Ų | 65.9 | 25% | 0.253 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 179.2 | -171.5 | 176.3 | -64.1 | 105.7 | -0.6 | 111.5 | I532 L535 C560 D561 D562 K566 L567 I568 | I532-R564 HydrophobicContact CG2-CG 4.16Å; L535-R564 HydrophobicContact CD2-CB 3.71Å; L535-R564 HydrophobicContact CD2-CG 4.47Å; C560-R564 VanDerWaalsContact O-CB 3.23Å; C560-R564 WeakPolarHBondContact O-CB 3.25Å; C560-R564 PolarHBondContact O-N 3.29Å; D561-R564 PolarHBondContact O-N 3.49Å; D561-R564 IonicContact OD1-CZ 3.64Å; D561-R564 IonicContact OD1-NH1 2.78Å; D561-R564 PolarHBondContact OD1-NH1 3.14Å; D562-R564 VanDerWaalsContact C-N 3.33Å; D562-R564 PolarHBondContact O-N 2.94Å; R564-K566 VanDerWaalsContact C-N 3.3Å; R564-K566 PolarHBondContact O-N 3.46Å; R564-L567 PolarHBondContact O-N 3.13Å; R564-I568 HydrophobicContact CG-CD1 3.93Å; R564-I568 HydrophobicContact CG-CG1 4.45Å; R564-I568 WeakPolarHBondContact O-CB 3.42Å; R564-I568 VanDerWaalsContact O-CG1 3.29Å; R564-I568 WeakPolarHBondContact O-CG1 3.48Å; R564-I568 PolarHBondContact O-N 2.95Å |
| 565 | L | 88.1 | Confident | 84.9 | Confident | 118 Ų | 118 | 61.9 Ų | 61.9 | 62% | 0.618 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -59.9 | -41.1 | 177.3 | -75.1 | 168.9 | 0 | 0 | 0 | 111.8 | D561 D562 I568 N569 | D561-L565 WeakPolarHBondContact O-CG 3.39Å; D561-L565 PolarHBondContact O-N 3.05Å; D562-L565 PolarHBondContact O-N 3.22Å; L565-I568 PolarHBondContact O-N 2.97Å; L565-N569 PolarHBondContact O-N 3.47Å |
| 566 | K | 86.4 | Confident | 85.2 | Confident | 79 Ų | 79 | 60.8 Ų | 60.8 | 34% | 0.343 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 175.6 | -71.3 | 167.5 | -178.4 | 160 | 0 | 112.1 | D562 I563 R564 N569 L570 L818 | D562-K566 VanDerWaalsContact CG-NZ 3.27Å; D562-K566 WeakPolarHBondContact O-CG 3.36Å; D562-K566 PolarHBondContact O-N 3.32Å; D562-K566 VanDerWaalsContact OD1-CE 3.22Å; D562-K566 WeakPolarHBondContact OD1-CE 3.19Å; D562-K566 IonicContact OD1-NZ 2.69Å; D562-K566 PolarHBondContact OD1-NZ 3.13Å; D562-K566 VanDerWaalsContact OD1-NZ 3.12Å; D562-K566 IonicContact OD2-NZ 2.7Å; D562-K566 PolarHBondContact OD2-NZ 2.8Å; I563-K566 PolarHBondContact O-N 3.35Å; R564-K566 VanDerWaalsContact C-N 3.3Å; R564-K566 PolarHBondContact O-N 3.46Å; K566-N569 WeakPolarHBondContact O-CB 3.35Å; K566-N569 PolarHBondContact O-N 3.36Å; K566-L570 WeakPolarHBondContact O-CG 3.38Å; K566-L570 PolarHBondContact O-N 3.05Å; K566-L818 HydrophobicContact CB-CD1 4.4Å; K566-L818 HydrophobicContact CD-CD1 4.42Å |
| 567 | L | 88.7 | Confident | 85.4 | Confident | 8 Ų | 8 | 63.1 Ų | 63.1 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.7 | -38.7 | 176.6 | -71 | 173.1 | 0 | 0 | 0 | 112.3 | L528 L531 I532 I563 R564 N569 L570 R571 Y831 | L528-L567 HydrophobicContact CD2-CD2 4.15Å; L531-L567 HydrophobicContact CB-CD1 4.23Å; L531-L567 HydrophobicContact CB-CD2 4.48Å; L531-L567 HydrophobicContact CD1-CD2 4.44Å; I532-L567 HydrophobicContact CD1-CB 4.02Å; I532-L567 HydrophobicContact CG1-CB 3.52Å; I532-L567 HydrophobicContact CG1-CD1 4.05Å; I532-L567 HydrophobicContact CG1-CG 4.42Å; I563-L567 HydrophobicContact CG2-CD1 3.92Å; I563-L567 HydrophobicContact CG2-CG 4.24Å; I563-L567 WeakPolarHBondContact O-CG 3.38Å; I563-L567 PolarHBondContact O-N 3.42Å; R564-L567 PolarHBondContact O-N 3.13Å; L567-N569 VanDerWaalsContact C-N 3.35Å; L567-L570 HydrophobicContact CD2-CD1 4.4Å; L567-L570 PolarHBondContact O-N 3.29Å; L567-R571 WeakPolarHBondContact O-CB 3.36Å; L567-R571 PolarHBondContact O-N 3.29Å; L567-Y831 HydrophobicContact CD1-CE1 4.09Å; L567-Y831 HydrophobicContact CD2-CE1 4.41Å |
| 568 | I | 89.4 | Confident | 85.6 | Confident | 50 Ų | 50 | 62.5 Ų | 62.5 | 26% | 0.256 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.1 | -46.4 | 173 | -74.3 | 169.1 | 0 | 0 | 0 | 110.1 | I532 R564 L565 L570 R571 D572 | I532-I568 HydrophobicContact CD1-CG1 3.87Å; R564-I568 HydrophobicContact CG-CD1 3.93Å; R564-I568 HydrophobicContact CG-CG1 4.45Å; R564-I568 WeakPolarHBondContact O-CB 3.42Å; R564-I568 VanDerWaalsContact O-CG1 3.29Å; R564-I568 WeakPolarHBondContact O-CG1 3.48Å; R564-I568 PolarHBondContact O-N 2.95Å; L565-I568 PolarHBondContact O-N 2.97Å; I568-L570 VanDerWaalsContact C-N 3.29Å; I568-L570 PolarHBondContact O-N 2.99Å; I568-R571 PolarHBondContact O-N 2.63Å; I568-R571 VanDerWaalsContact O-N 3.17Å; I568-D572 WeakPolarHBondContact CG2-OD2 3.48Å; I568-D572 WeakPolarHBondContact O-CB 3.36Å; I568-D572 VanDerWaalsContact O-CG 3.22Å; I568-D572 PolarHBondContact O-N 3.02Å |
| 569 | N | 88.2 | Confident | 85.9 | Confident | 73 Ų | 73 | 62.2 Ų | 62.2 | 39% | 0.39 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.5 | -38.7 | 176.7 | -175.9 | -85.1 | 0 | 0 | 0 | 112.6 | L565 K566 L567 N573 R576 | L565-N569 PolarHBondContact O-N 3.47Å; K566-N569 WeakPolarHBondContact O-CB 3.35Å; K566-N569 PolarHBondContact O-N 3.36Å; L567-N569 VanDerWaalsContact C-N 3.35Å; N569-N573 WeakPolarHBondContact O-CB 3.41Å; N569-N573 PolarHBondContact O-N 3.21Å; N569-N573 PolarHBondContact O-ND2 3.29Å; N569-R576 PolarHBondContact O-NH1 3.44Å; N569-R576 VanDerWaalsContact O-NH1 3.11Å; N569-R576 PolarHBondContact OD1-NH1 3.39Å; N569-R576 PolarHBondContact OD1-NH2 3.39Å |
| 570 | L | 88.1 | Confident | 86.2 | Confident | 35 Ų | 35 | 61.2 Ų | 61.2 | 18% | 0.183 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67 | -41.1 | 174.8 | -68.2 | 168.8 | 0 | 0 | 0 | 111.9 | L523 L528 K566 L567 I568 N573 P574 | L523-L570 HydrophobicContact CD1-CB 3.89Å; L523-L570 HydrophobicContact CD1-CD2 3.64Å; L523-L570 HydrophobicContact CD1-CG 4.27Å; L528-L570 VanDerWaalsContact CD1-C 3.49Å; L528-L570 HydrophobicContact CD1-CB 3.81Å; L528-L570 HydrophobicContact CD2-CB 4.21Å; K566-L570 WeakPolarHBondContact O-CG 3.38Å; K566-L570 PolarHBondContact O-N 3.05Å; L567-L570 HydrophobicContact CD2-CD1 4.4Å; L567-L570 PolarHBondContact O-N 3.29Å; I568-L570 VanDerWaalsContact C-N 3.29Å; I568-L570 PolarHBondContact O-N 2.99Å; L570-N573 CarbonylContact O-C 3.52Å; L570-N573 VanDerWaalsContact O-C 3.26Å; L570-P574 WeakPolarHBondContact O-CA 3.34Å |
| 571 | R | 88.9 | Confident | 86.2 | Confident | 61 Ų | 61 | 64 Ų | 64 | 23% | 0.23 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.4 | -41.9 | -179.7 | -178.8 | -161.3 | 65.7 | -160.8 | -6.2 | 111.7 | S525 L528 I532 L567 I568 | S525-R571 PolarHBondContact OG-O 3.37Å; S525-R571 VanDerWaalsContact OG-O 3.05Å; L528-R571 HydrophobicContact CB-CB 4.05Å; L528-R571 HydrophobicContact CB-CG 4.45Å; L528-R571 HydrophobicContact CD1-CB 4.3Å; I532-R571 HydrophobicContact CD1-CB 4.49Å; L567-R571 WeakPolarHBondContact O-CB 3.36Å; L567-R571 PolarHBondContact O-N 3.29Å; I568-R571 PolarHBondContact O-N 2.63Å; I568-R571 VanDerWaalsContact O-N 3.17Å |
| 572 | D | 90.3 | Very high | 86.2 | Confident | 91 Ų | 91 | 61.5 Ų | 61.5 | 49% | 0.487 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -83.2 | -21.1 | -175.1 | -62.5 | -9.6 | 0 | 0 | 0 | 112 | I568 P574 | I568-D572 WeakPolarHBondContact CG2-OD2 3.48Å; I568-D572 WeakPolarHBondContact O-CB 3.36Å; I568-D572 VanDerWaalsContact O-CG 3.22Å; I568-D572 PolarHBondContact O-N 3.02Å; D572-P574 VanDerWaalsContact C-CD 3.43Å |
| 573 | N | 86.9 | Confident | 86.1 | Confident | 78 Ų | 78 | 60 Ų | 60 | 42% | 0.417 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -125.7 | 69.1 | 172.7 | -49.6 | -84.4 | 0 | 0 | 0 | 109.9 | N569 L570 R576 | N569-N573 WeakPolarHBondContact O-CB 3.41Å; N569-N573 PolarHBondContact O-N 3.21Å; N569-N573 PolarHBondContact O-ND2 3.29Å; L570-N573 CarbonylContact O-C 3.52Å; L570-N573 VanDerWaalsContact O-C 3.26Å; N573-R576 WeakPolarHBondContact O-CD 3.12Å; N573-R576 PolarHBondContact O-NH1 3.16Å; N573-R576 VanDerWaalsContact O-NH1 3.08Å |
| 574 | P | 84.5 | Confident | 85.8 | Confident | 31 Ų | 31 | 62.6 Ų | 62.6 | 20% | 0.201 | 31% | 0.313 | C | S | . | . | trans | -73.4 | -28.2 | -173.3 | 28.3 | -34.3 | 0 | 0 | 0 | 113.4 | F521 L523 L570 D572 | F521-P574 VanDerWaalsContact O-O 3.12Å; L523-P574 HydrophobicContact CB-CB 4.07Å; L523-P574 WeakPolarHBondContact CG-O 3.4Å; L523-P574 PolarHBondContact N-O 2.93Å; L523-P574 VanDerWaalsContact O-CB 3.31Å; L523-P574 WeakPolarHBondContact O-CB 3.46Å; L570-P574 WeakPolarHBondContact O-CA 3.34Å; D572-P574 VanDerWaalsContact C-CD 3.43Å | ||
| 575 | D | 86.3 | Confident | 85.4 | Confident | 114 Ų | 114 | 61.8 Ų | 61.8 | 61% | 0.61 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 110.7 | 173.4 | -64.8 | -40.7 | 0 | 0 | 0 | 108.6 | F521 H522 | F521-D575 WeakPolarHBondContact O-CA 3.27Å; H522-D575 IonicContact CE1-OD1 2.84Å; H522-D575 IonicContact CG-OD1 3.03Å; H522-D575 IonicContact ND1-OD1 3.91Å; H522-D575 PolarHBondContact ND1-OD1 3.42Å |
| 576 | R | 84.1 | Confident | 85.1 | Confident | 55 Ų | 55 | 60.2 Ų | 60.2 | 21% | 0.208 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 158.2 | -172 | 65.9 | -163.7 | -50.2 | 140.2 | -1.5 | 112.5 | E520 F521 N569 N573 D578 | E520-R576 CarbonylContact C-O 3.55Å; E520-R576 WeakPolarHBondContact CA-O 3.2Å; F521-R576 HydrophobicContact CB-CG 4.08Å; F521-R576 PolarHBondContact N-O 3.06Å; F521-R576 PolarHBondContact O-N 2.81Å; F521-R576 VanDerWaalsContact O-N 3.07Å; N569-R576 PolarHBondContact O-NH1 3.44Å; N569-R576 VanDerWaalsContact O-NH1 3.11Å; N569-R576 PolarHBondContact OD1-NH1 3.39Å; N569-R576 PolarHBondContact OD1-NH2 3.39Å; N573-R576 WeakPolarHBondContact O-CD 3.12Å; N573-R576 PolarHBondContact O-NH1 3.16Å; N573-R576 VanDerWaalsContact O-NH1 3.08Å; R576-D578 WeakPolarHBondContact CD-OD2 3.26Å; R576-D578 IonicContact CZ-OD2 2.66Å; R576-D578 IonicContact NE-OD2 3.56Å; R576-D578 PolarHBondContact NE-OD2 2.81Å; R576-D578 IonicContact NH2-OD2 3.86Å |
| 577 | S | 83.3 | Confident | 85 | Confident | 74 Ų | 74 | 56.8 Ų | 56.8 | 52% | 0.517 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 106.1 | 176.6 | 167.3 | 0 | 0 | 0 | 0 | 109.6 | N519 | N519-S577 WeakPolarHBondContact O-CA 3.5Å |
| 578 | D | 84 | Confident | 84.6 | Confident | 66 Ų | 66 | 56.6 Ų | 56.6 | 35% | 0.353 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 158.9 | -174.9 | -76.3 | -47.9 | 0 | 0 | 0 | 111.4 | P518 N519 F521 R576 | P518-D578 CarbonylContact C-O 3.53Å; P518-D578 WeakPolarHBondContact CA-O 3.4Å; N519-D578 PolarHBondContact N-O 2.65Å; N519-D578 PolarHBondContact O-N 3.1Å; N519-D578 VanDerWaalsContact O-N 3.09Å; F521-D578 HydrophobicContact CD2-CB 4.34Å; F521-D578 HydrophobicContact CE2-CB 4.12Å; R576-D578 WeakPolarHBondContact CD-OD2 3.26Å; R576-D578 IonicContact CZ-OD2 2.66Å; R576-D578 IonicContact NE-OD2 3.56Å; R576-D578 PolarHBondContact NE-OD2 2.81Å; R576-D578 IonicContact NH2-OD2 3.86Å |
| 579 | K | 84 | Confident | 84.2 | Confident | 135 Ų | 135 | 55.2 Ų | 55.2 | 59% | 0.587 | 29% | 0.287 | S | S | * | . | trans | -71.7 | 123.1 | 172.2 | -71.5 | -177.4 | -179.4 | -176.1 | 0 | 109.8 | D516 P518 | D516-K579 VanDerWaalsContact O-CE 3.29Å; D516-K579 WeakPolarHBondContact O-CE 3.49Å; P518-K579 HydrophobicContact CG-CG 4.22Å | ||
| 580 | P | 84.6 | Confident | 84.3 | Confident | 5 Ų | 5 | 53.1 Ų | 53.1 | 3% | 0.032 | 28% | 0.275 | C | S | . | . | trans | -74.6 | 155.7 | -174 | 31.4 | -35.3 | 0 | 0 | 0 | 111.7 | K514 A515 I517 F521 | K514-P580 VanDerWaalsContact O-CG 3.29Å; K514-P580 WeakPolarHBondContact O-CG 3.49Å; A515-P580 WeakPolarHBondContact CA-O 3.41Å; I517-P580 WeakPolarHBondContact O-CD 3.45Å; F521-P580 HydrophobicContact CZ-CB 4Å | ||
| 581 | L | 82.6 | Confident | 84.4 | Confident | 61 Ų | 61 | 54.8 Ų | 54.8 | 32% | 0.319 | 28% | 0.279 | S | S | . | . | trans | -111.5 | 118.8 | 165.4 | -68.2 | 170.4 | 0 | 0 | 0 | 109 | Y583 I817 P875 | L581-Y583 HydrophobicContact CB-CD2 4.05Å; L581-Y583 HydrophobicContact CB-CE2 3.4Å; L581-Y583 VanDerWaalsContact CB-CE2 3.4Å; L581-Y583 HydrophobicContact CD1-CE2 4.32Å; L581-Y583 HydrophobicContact CG-CE2 4.42Å; L581-Y583 WeakPolarHBondContact O-CD2 3.13Å; L581-I817 WeakPolarHBondContact CD1-O 3.48Å; L581-P875 HydrophobicContact CD2-CB 4.24Å | ||
| 582 | I | 84.5 | Confident | 84.6 | Confident | 18 Ų | 18 | 52.1 Ų | 52.1 | 9% | 0.092 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 117.8 | -172 | -55.8 | 173.8 | 0 | 0 | 0 | 109.2 | F513 P875 Y876 M879 | F513-I582 HydrophobicContact CB-CD1 4.18Å; F513-I582 WeakPolarHBondContact O-CD1 3.22Å; I582-P875 CarbonylContact O-C 3.58Å; I582-P875 VanDerWaalsContact O-CA 3.29Å; I582-P875 WeakPolarHBondContact O-CA 3.48Å; I582-Y876 PolarHBondContact O-N 2.84Å; I582-M879 HydrophobicContact CD1-CB 4.47Å; I582-M879 HydrophobicContact CG2-CB 3.84Å; I582-M879 HydrophobicContact CG2-SD 4.49Å |
| 583 | Y | 82.2 | Confident | 84.7 | Confident | 30 Ų | 30 | 48 Ų | 48 | 12% | 0.118 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 152.4 | -179.6 | -68.4 | -86 | 0 | 0 | 0 | 112.1 | L581 I817 I872 D873 G874 P875 | L581-Y583 HydrophobicContact CB-CD2 4.05Å; L581-Y583 HydrophobicContact CB-CE2 3.4Å; L581-Y583 VanDerWaalsContact CB-CE2 3.4Å; L581-Y583 HydrophobicContact CD1-CE2 4.32Å; L581-Y583 HydrophobicContact CG-CE2 4.42Å; L581-Y583 WeakPolarHBondContact O-CD2 3.13Å; Y583-I817 HydrophobicContact CD2-CB 3.59Å; Y583-I817 HydrophobicContact CD2-CD1 4.04Å; Y583-I817 HydrophobicContact CD2-CG1 4.36Å; Y583-I817 HydrophobicContact CD2-CG2 3.57Å; Y583-I817 HydrophobicContact CE2-CB 3.57Å; Y583-I817 HydrophobicContact CE2-CG2 3.39Å; Y583-I817 WeakPolarHBondContact CE2-O 3.23Å; Y583-I817 HydrophobicContact CG-CD1 4.41Å; Y583-I817 HydrophobicContact CG-CG2 4.21Å; Y583-I872 HydrophobicContact CD1-CG2 3.38Å; Y583-I872 HydrophobicContact CE1-CG2 3.97Å; Y583-I872 HydrophobicContact CG-CG2 3.9Å; Y583-D873 WeakPolarHBondContact CA-O 3.37Å; Y583-D873 WeakPolarHBondContact CD1-O 3.16Å; Y583-G874 VanDerWaalsContact CE1-C 3.43Å; Y583-P875 HydrophobicContact CD1-CB 4.42Å; Y583-P875 HydrophobicContact CE1-CB 3.85Å; Y583-P875 HydrophobicContact CE1-CG 4.27Å; Y583-P875 VanDerWaalsContact CE1-N 3.28Å; Y583-P875 HydrophobicContact CE2-CB 4.26Å |
| 584 | H | 78.2 | Confident | 85.1 | Confident | 66 Ų | 66 | 44.3 Ų | 44.3 | 31% | 0.306 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 113.4 | 166.6 | 178 | -123.9 | 0 | 0 | 0 | 108.7 | D873 Y876 | H584-D873 HydrophobicContact CB-CB 4.31Å; H584-D873 PolarHBondContact N-O 2.71Å; H584-D873 PolarHBondContact O-N 3.41Å; H584-Y876 HydrophobicContact CB-CE2 3.84Å |
| 585 | L | 80 | Confident | 85.6 | Confident | 50 Ų | 50 | 42.9 Ų | 42.9 | 26% | 0.262 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 107.4 | 177.6 | -55.3 | 176.8 | 0 | 0 | 0 | 108.5 | V810 I817 L836 F870 I872 | L585-V810 HydrophobicContact CD1-CG2 4.03Å; L585-I817 HydrophobicContact CD1-CD1 4.31Å; L585-I817 HydrophobicContact CD2-CD1 3.89Å; L585-I817 HydrophobicContact CG-CD1 4.48Å; L585-L836 HydrophobicContact CD1-CD1 4.01Å; L585-L836 HydrophobicContact CD2-CD1 4.18Å; L585-F870 HydrophobicContact CB-CD1 4.37Å; L585-I872 HydrophobicContact CD2-CB 4.36Å; L585-I872 HydrophobicContact CD2-CD1 3.72Å; L585-I872 HydrophobicContact CD2-CG1 3.61Å; L585-I872 HydrophobicContact CD2-CG2 4.2Å |
| 586 | D | 81.7 | Confident | 86 | Confident | 84 Ų | 84 | 37.4 Ų | 37.4 | 45% | 0.449 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 151.5 | 178.8 | -165.1 | 13.8 | 0 | 0 | 0 | 110.5 | F870 E871 | D586-F870 CarbonylContact O-C 3.46Å; D586-F870 VanDerWaalsContact O-CA 3.24Å; D586-F870 WeakPolarHBondContact O-CA 3.28Å; D586-F870 WeakPolarHBondContact O-CD1 3.33Å; D586-E871 PolarHBondContact N-O 2.86Å; D586-E871 PolarHBondContact O-N 3.48Å |
| 587 | V | 84.9 | Confident | 86.6 | Confident | 7 Ų | 7 | 34.8 Ų | 34.8 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 108.3 | 170.1 | -178.4 | 0 | 0 | 0 | 0 | 107.6 | A589 M590 I802 I868 F870 | V587-A589 PolarHBondContact O-N 2.84Å; V587-A589 VanDerWaalsContact O-N 3.11Å; V587-M590 HydrophobicContact CB-CB 3.85Å; V587-M590 HydrophobicContact CB-CG 3.99Å; V587-M590 HydrophobicContact CB-SD 4.21Å; V587-M590 HydrophobicContact CG1-CB 3.75Å; V587-M590 HydrophobicContact CG1-CG 3.78Å; V587-M590 HydrophobicContact CG2-SD 4.41Å; V587-M590 PolarHBondContact O-N 2.81Å; V587-M590 VanDerWaalsContact O-N 3.11Å; V587-I802 HydrophobicContact CG2-CG2 4.18Å; V587-I868 HydrophobicContact CG1-CG2 3.65Å; V587-F870 HydrophobicContact CG2-CD1 3.73Å; V587-F870 HydrophobicContact CG2-CD2 4.16Å; V587-F870 HydrophobicContact CG2-CE1 3.36Å; V587-F870 HydrophobicContact CG2-CE2 3.83Å; V587-F870 HydrophobicContact CG2-CG 4.12Å; V587-F870 HydrophobicContact CG2-CZ 3.41Å; V587-F870 VanDerWaalsContact CG2-CZ 3.41Å |
| 588 | G | 79.5 | Confident | 87.2 | Confident | 4 Ų | 4 | 31.5 Ų | 31.5 | 4% | 0.041 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 118.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | M590 N593 A869 E871 | G588-M590 PolarHBondContact O-N 3.07Å; G588-M590 VanDerWaalsContact O-N 3.11Å; G588-N593 PolarHBondContact O-ND2 3.09Å; G588-A869 PolarHBondContact N-O 3.47Å; G588-E871 WeakPolarHBondContact CA-OE1 3.19Å |
| 589 | A | 82.1 | Confident | 87.7 | Confident | 22 Ų | 22 | 28.7 Ų | 28.7 | 18% | 0.182 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.2 | 45.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | V587 Y591 P592 N593 | V587-A589 PolarHBondContact O-N 2.84Å; V587-A589 VanDerWaalsContact O-N 3.11Å; A589-Y591 PolarHBondContact O-N 2.98Å; A589-P592 HydrophobicContact CB-CB 4.32Å; A589-P592 HydrophobicContact CB-CG 4.25Å; A589-P592 WeakPolarHBondContact O-CD 3.25Å; A589-N593 PolarHBondContact O-N 3.24Å |
| 590 | M | 89.6 | Confident | 88.2 | Confident | 29 Ų | 29 | 22.3 Ų | 22.3 | 14% | 0.143 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -41 | -56.8 | -172 | -172.3 | 173.8 | 69.3 | 0 | 0 | 114.5 | V587 G588 N593 I594 I803 | V587-M590 HydrophobicContact CB-CB 3.85Å; V587-M590 HydrophobicContact CB-CG 3.99Å; V587-M590 HydrophobicContact CB-SD 4.21Å; V587-M590 HydrophobicContact CG1-CB 3.75Å; V587-M590 HydrophobicContact CG1-CG 3.78Å; V587-M590 HydrophobicContact CG2-SD 4.41Å; V587-M590 PolarHBondContact O-N 2.81Å; V587-M590 VanDerWaalsContact O-N 3.11Å; G588-M590 PolarHBondContact O-N 3.07Å; G588-M590 VanDerWaalsContact O-N 3.11Å; M590-N593 PolarHBondContact O-N 3.08Å; M590-I594 HydrophobicContact CG-CD1 3.69Å; M590-I594 HydrophobicContact CG-CG1 4.49Å; M590-I594 WeakPolarHBondContact O-CB 3.47Å; M590-I594 VanDerWaalsContact O-CG1 3.22Å; M590-I594 WeakPolarHBondContact O-CG1 3.41Å; M590-I594 PolarHBondContact O-N 3.28Å; M590-I803 HydrophobicContact CE-CD1 4.45Å; M590-I803 HydrophobicContact SD-CD1 4.21Å; M590-I803 HydrophobicContact SD-CG1 4.5Å |
| 591 | Y | 91.1 | Very high | 88.7 | Confident | 69 Ų | 69 | 22.1 Ų | 22.1 | 27% | 0.271 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -66.9 | -49.8 | -175.9 | -57.7 | -48.8 | 0 | 0 | 0 | 113.1 | A589 N593 I594 I595 Y776 V795 | A589-Y591 PolarHBondContact O-N 2.98Å; Y591-N593 VanDerWaalsContact C-N 3.3Å; Y591-N593 PolarHBondContact O-N 3.19Å; Y591-I594 PolarHBondContact O-N 3.48Å; Y591-I595 VanDerWaalsContact O-CG1 3.3Å; Y591-I595 WeakPolarHBondContact O-CG1 3.37Å; Y591-I595 PolarHBondContact O-N 2.88Å; Y591-Y776 AromaticContact CD2-CD1 3.61Å; Y591-Y776 HydrophobicContact CD2-CD1 3.61Å; Y591-Y776 AromaticContact CD2-CE1 3.35Å; Y591-Y776 HydrophobicContact CD2-CE1 3.35Å; Y591-Y776 HydrophobicContact CD2-CE2 4.38Å; Y591-Y776 HydrophobicContact CD2-CG 4.24Å; Y591-Y776 AromaticContact CD2-CZ 3.77Å; Y591-Y776 HydrophobicContact CE2-CD1 4.32Å; Y591-Y776 AromaticContact CE2-CE1 3.69Å; Y591-Y776 HydrophobicContact CE2-CE1 3.69Å; Y591-Y776 HydrophobicContact CE2-CE2 4.2Å; Y591-Y776 AromaticContact CE2-CZ 3.62Å; Y591-Y776 AromaticContact CG-CD1 3.96Å; Y591-Y776 HydrophobicContact CG-CD1 3.96Å; Y591-Y776 HydrophobicContact CG-CE1 4.15Å; Y591-Y776 HydrophobicContact CG-CG 4.24Å; Y591-V795 HydrophobicContact CD1-CG1 3.45Å; Y591-V795 VanDerWaalsContact CD1-CG1 3.45Å; Y591-V795 HydrophobicContact CE1-CG1 4.31Å; Y591-V795 HydrophobicContact CG-CG1 3.98Å |
| 592 | P | 92 | Very high | 89.2 | Confident | 5 Ų | 5 | 20.1 Ų | 20.1 | 3% | 0.032 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -50.3 | -46.3 | 169 | -30.1 | 33.4 | 0 | 0 | 0 | 113.8 | A589 I595 L596 I718 L772 | A589-P592 HydrophobicContact CB-CB 4.32Å; A589-P592 HydrophobicContact CB-CG 4.25Å; A589-P592 WeakPolarHBondContact O-CD 3.25Å; P592-I595 WeakPolarHBondContact O-CB 3.38Å; P592-I595 PolarHBondContact O-N 2.9Å; P592-L596 VanDerWaalsContact O-CG 3.27Å; P592-L596 WeakPolarHBondContact O-CG 3.33Å; P592-L596 PolarHBondContact O-N 3.17Å; P592-I718 HydrophobicContact CB-CG2 3.95Å; P592-L772 HydrophobicContact CB-CD2 4.48Å; P592-L772 HydrophobicContact CG-CB 4.43Å; P592-L772 HydrophobicContact CG-CD2 4.34Å |
| 593 | N | 93.1 | Very high | 89.6 | Confident | 5 Ų | 5 | 20.6 Ų | 20.6 | 3% | 0.027 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -72.4 | -31.2 | -176.8 | -75.7 | -24.4 | 0 | 0 | 0 | 113.2 | G588 A589 M590 Y591 T597 R722 T867 I868 | G588-N593 PolarHBondContact O-ND2 3.09Å; A589-N593 PolarHBondContact O-N 3.24Å; M590-N593 PolarHBondContact O-N 3.08Å; Y591-N593 VanDerWaalsContact C-N 3.3Å; Y591-N593 PolarHBondContact O-N 3.19Å; N593-T597 WeakPolarHBondContact O-CB 3.35Å; N593-T597 PolarHBondContact O-N 3.33Å; N593-T597 PolarHBondContact O-OG1 3.27Å; N593-R722 VanDerWaalsContact OD1-CD 3.25Å; N593-R722 WeakPolarHBondContact OD1-CD 3.46Å; N593-R722 PolarHBondContact OD1-NH1 2.91Å; N593-T867 WeakPolarHBondContact CB-O 3.38Å; N593-T867 PolarHBondContact ND2-O 3.06Å; N593-T867 VanDerWaalsContact ND2-O 3.12Å; N593-T867 PolarHBondContact O-OG1 2.95Å; N593-T867 VanDerWaalsContact O-OG1 3.12Å; N593-I868 HydrophobicContact CB-CG1 4.03Å |
| 594 | I | 95 | Very high | 90.2 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.1 | -43.5 | 169.4 | -70.2 | 164.4 | 0 | 0 | 0 | 110.6 | M590 Y591 N598 L600 V795 T798 I802 I868 | M590-I594 HydrophobicContact CG-CD1 3.69Å; M590-I594 HydrophobicContact CG-CG1 4.49Å; M590-I594 WeakPolarHBondContact O-CB 3.47Å; M590-I594 VanDerWaalsContact O-CG1 3.22Å; M590-I594 WeakPolarHBondContact O-CG1 3.41Å; M590-I594 PolarHBondContact O-N 3.28Å; Y591-I594 PolarHBondContact O-N 3.48Å; I594-N598 PolarHBondContact O-N 3.34Å; I594-N598 VanDerWaalsContact O-N 3.15Å; I594-N598 PolarHBondContact O-ND2 3.46Å; I594-L600 HydrophobicContact CG2-CD1 4.08Å; I594-V795 HydrophobicContact CG2-CB 4.49Å; I594-V795 HydrophobicContact CG2-CG1 4.46Å; I594-V795 HydrophobicContact CG2-CG2 4.36Å; I594-T798 HydrophobicContact CD1-CG2 4.37Å; I594-T798 HydrophobicContact CG1-CG2 4.27Å; I594-T798 HydrophobicContact CG2-CG2 3.98Å; I594-I802 HydrophobicContact CD1-CD1 3.91Å; I594-I802 HydrophobicContact CG1-CD1 3.97Å; I594-I868 HydrophobicContact CB-CD1 4.5Å; I594-I868 HydrophobicContact CG1-CD1 3.78Å; I594-I868 HydrophobicContact CG1-CG1 4.21Å |
| 595 | I | 94.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.5 | -50.6 | 176.9 | -71.3 | 166.6 | 0 | 0 | 0 | 110.5 | Y591 P592 R599 L600 V715 I718 M791 V795 | Y591-I595 VanDerWaalsContact O-CG1 3.3Å; Y591-I595 WeakPolarHBondContact O-CG1 3.37Å; Y591-I595 PolarHBondContact O-N 2.88Å; P592-I595 WeakPolarHBondContact O-CB 3.38Å; P592-I595 PolarHBondContact O-N 2.9Å; I595-R599 WeakPolarHBondContact O-CA 3.47Å; I595-R599 PolarHBondContact O-N 2.96Å; I595-L600 HydrophobicContact CB-CB 4.46Å; I595-L600 HydrophobicContact CG1-CB 4.39Å; I595-L600 HydrophobicContact CG2-CB 4.31Å; I595-L600 WeakPolarHBondContact CG2-O 3.09Å; I595-L600 PolarHBondContact O-N 3Å; I595-V715 HydrophobicContact CG2-CG1 4.25Å; I595-I718 HydrophobicContact CB-CD1 4.41Å; I595-I718 HydrophobicContact CD1-CD1 4.08Å; I595-I718 HydrophobicContact CG2-CD1 3.57Å; I595-M791 HydrophobicContact CD1-CE 3.86Å; I595-M791 HydrophobicContact CG1-CE 3.92Å; I595-M791 HydrophobicContact CG2-CE 4.27Å; I595-V795 HydrophobicContact CD1-CG2 4.21Å; I595-V795 HydrophobicContact CG1-CG2 3.52Å |
| 596 | L | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.9 | -46.1 | -179.5 | -68.1 | 175.8 | 0 | 0 | 0 | 112 | P592 N598 R599 V715 I718 R719 R722 Y849 | P592-L596 VanDerWaalsContact O-CG 3.27Å; P592-L596 WeakPolarHBondContact O-CG 3.33Å; P592-L596 PolarHBondContact O-N 3.17Å; L596-N598 VanDerWaalsContact C-N 3.31Å; L596-N598 PolarHBondContact O-N 3.14Å; L596-R599 PolarHBondContact O-N 2.78Å; L596-V715 HydrophobicContact CD2-CB 4.26Å; L596-V715 WeakPolarHBondContact CD2-O 3.43Å; L596-I718 HydrophobicContact CD1-CG2 4.24Å; L596-I718 HydrophobicContact CD2-CB 4.19Å; L596-I718 HydrophobicContact CD2-CG2 4.06Å; L596-I718 HydrophobicContact CG-CG2 4.03Å; L596-R719 HydrophobicContact CD1-CB 4.33Å; L596-R719 HydrophobicContact CD2-CB 3.78Å; L596-R722 VanDerWaalsContact CD1-NH1 3.25Å; L596-Y849 VanDerWaalsContact O-CE2 3.26Å; L596-Y849 WeakPolarHBondContact O-CE2 3.27Å |
| 597 | T | 95.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.9 | -40.2 | -179.1 | -63 | 0 | 0 | 0 | 0 | 112.4 | N593 F844 N846 E865 N866 T867 I868 | N593-T597 WeakPolarHBondContact O-CB 3.35Å; N593-T597 PolarHBondContact O-N 3.33Å; N593-T597 PolarHBondContact O-OG1 3.27Å; T597-F844 WeakPolarHBondContact CG2-O 3.46Å; T597-N846 HydrophobicContact CG2-CB 4.36Å; T597-N846 WeakPolarHBondContact O-CB 3.27Å; T597-N846 PolarHBondContact O-ND2 2.78Å; T597-E865 WeakPolarHBondContact CG2-O 3.44Å; T597-N866 HydrophobicContact CG2-CB 4.35Å; T597-T867 PolarHBondContact OG1-N 3.08Å; T597-T867 PolarHBondContact OG1-OG1 3.28Å; T597-I868 HydrophobicContact CG2-CD1 4.2Å |
| 598 | N | 95.7 | Very high | 92 | Very high | 5 Ų | 5 | 23.9 Ų | 23.9 | 3% | 0.027 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 8.8 | -174.4 | -66.9 | -74.6 | 0 | 0 | 0 | 114 | I594 L596 L600 K625 M627 Q708 | I594-N598 PolarHBondContact O-N 3.34Å; I594-N598 VanDerWaalsContact O-N 3.15Å; I594-N598 PolarHBondContact O-ND2 3.46Å; L596-N598 VanDerWaalsContact C-N 3.31Å; L596-N598 PolarHBondContact O-N 3.14Å; N598-L600 HydrophobicContact CB-CD1 4.09Å; N598-L600 HydrophobicContact CB-CD2 4.1Å; N598-L600 HydrophobicContact CB-CG 3.76Å; N598-L600 PolarHBondContact O-N 3.34Å; N598-K625 PolarHBondContact OD1-NZ 3.15Å; N598-M627 HydrophobicContact CB-CE 4.06Å; N598-M627 HydrophobicContact CB-SD 3.8Å; N598-Q708 PolarHBondContact O-NE2 2.71Å |
| 599 | R | 95 | Very high | 92.4 | Very high | 7 Ų | 7 | 27 Ų | 27 | 3% | 0.026 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 41.8 | -176.2 | -151.6 | 176.9 | -174.1 | -173.4 | 3.3 | 113 | I595 L596 Q601 Q708 R709 E710 V715 Y849 H850 | I595-R599 WeakPolarHBondContact O-CA 3.47Å; I595-R599 PolarHBondContact O-N 2.96Å; L596-R599 PolarHBondContact O-N 2.78Å; R599-Q601 PolarHBondContact O-N 2.8Å; R599-Q708 VanDerWaalsContact NH1-C 3.34Å; R599-Q708 PolarHBondContact NH1-O 3.34Å; R599-R709 VanDerWaalsContact NH1-C 3.32Å; R599-R709 VanDerWaalsContact NH1-CA 3.28Å; R599-E710 PolarHBondContact NH1-O 3.33Å; R599-E710 PolarHBondContact NH2-O 2.97Å; R599-V715 HydrophobicContact CG-CG1 4.27Å; R599-V715 HydrophobicContact CG-CG2 4.14Å; R599-Y849 HydrophobicContact CB-CD2 4.16Å; R599-Y849 HydrophobicContact CB-CE2 3.6Å; R599-Y849 HydrophobicContact CG-CE2 3.92Å; R599-H850 PolarHBondContact NH1-O 2.79Å |
| 600 | L | 95.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -78.3 | 116.6 | -173.8 | -60.9 | 173 | 0 | 0 | 0 | 111 | I594 I595 N598 M627 I706 M791 I794 V795 | I594-L600 HydrophobicContact CG2-CD1 4.08Å; I595-L600 HydrophobicContact CB-CB 4.46Å; I595-L600 HydrophobicContact CG1-CB 4.39Å; I595-L600 HydrophobicContact CG2-CB 4.31Å; I595-L600 WeakPolarHBondContact CG2-O 3.09Å; I595-L600 PolarHBondContact O-N 3Å; N598-L600 HydrophobicContact CB-CD1 4.09Å; N598-L600 HydrophobicContact CB-CD2 4.1Å; N598-L600 HydrophobicContact CB-CG 3.76Å; N598-L600 PolarHBondContact O-N 3.34Å; L600-M627 HydrophobicContact CD2-SD 3.95Å; L600-I706 HydrophobicContact CD2-CD1 4.06Å; L600-I706 HydrophobicContact CD2-CG1 3.87Å; L600-I706 HydrophobicContact CD2-CG2 4.06Å; L600-M791 HydrophobicContact CB-CE 4.23Å; L600-M791 HydrophobicContact CB-CG 4.15Å; L600-M791 VanDerWaalsContact O-CE 3.25Å; L600-M791 WeakPolarHBondContact O-CE 3.39Å; L600-I794 HydrophobicContact CD1-CB 4.48Å; L600-I794 HydrophobicContact CD1-CG2 3.77Å; L600-I794 HydrophobicContact CD2-CD1 4.42Å; L600-I794 HydrophobicContact CD2-CG2 3.99Å; L600-V795 HydrophobicContact CD1-CG2 3.55Å | ||
| 601 | Q | 94.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | trans | -153.4 | 153.8 | 176.3 | 54.4 | -166 | -3.3 | 0 | 0 | 109.2 | R599 S603 A604 E710 H711 Y714 V715 | R599-Q601 PolarHBondContact O-N 2.8Å; Q601-S603 VanDerWaalsContact C-N 3.33Å; Q601-S603 PolarHBondContact O-N 2.82Å; Q601-A604 HydrophobicContact CG-CB 3.6Å; Q601-A604 WeakPolarHBondContact O-CB 3.49Å; Q601-A604 PolarHBondContact O-N 3.28Å; Q601-E710 HydrophobicContact CG-CG 4.19Å; Q601-H711 VanDerWaalsContact CD-O 3.32Å; Q601-H711 PolarHBondContact NE2-O 2.85Å; Q601-H711 PolarHBondContact OE1-O 2.85Å; Q601-Y714 HydrophobicContact CB-CD1 3.72Å; Q601-Y714 HydrophobicContact CB-CG 3.9Å; Q601-V715 HydrophobicContact CB-CG1 4.35Å | ||
| 602 | P | 93.8 | Very high | 92.6 | Very high | 20 Ų | 20 | 28 Ų | 28 | 13% | 0.13 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -60.2 | -37.6 | -171.2 | -32.5 | 43.7 | 0 | 0 | 0 | 114.2 | A604 V605 V779 W786 M791 | P602-A604 VanDerWaalsContact C-N 3.26Å; P602-A604 PolarHBondContact O-N 2.93Å; P602-V605 PolarHBondContact O-N 2.83Å; P602-V779 HydrophobicContact CG-CB 4.4Å; P602-V779 HydrophobicContact CG-CG1 3.83Å; P602-W786 HydrophobicContact CB-CB 4.11Å; P602-W786 HydrophobicContact CG-CB 3.84Å; P602-W786 VanDerWaalsContact CG-O 3.28Å; P602-W786 WeakPolarHBondContact CG-O 2.81Å; P602-M791 HydrophobicContact CG-SD 3.87Å |
| 603 | S | 92.5 | Very high | 92.5 | Very high | 27 Ų | 27 | 34.2 Ų | 34.2 | 19% | 0.189 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -71.1 | -18.6 | 176.2 | 58.9 | 0 | 0 | 0 | 0 | 113.9 | Q601 V605 E710 | Q601-S603 VanDerWaalsContact C-N 3.33Å; Q601-S603 PolarHBondContact O-N 2.82Å; S603-V605 VanDerWaalsContact C-N 3.27Å; S603-V605 PolarHBondContact O-N 2.85Å; S603-E710 VanDerWaalsContact CB-OE1 3.27Å; S603-E710 WeakPolarHBondContact CB-OE1 3.31Å; S603-E710 VanDerWaalsContact OG-CG 3.22Å; S603-E710 WeakPolarHBondContact OG-CG 3.28Å; S603-E710 PolarHBondContact OG-OE1 3.3Å |
| 604 | A | 94.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -78.8 | -13.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q601 P602 V606 I706 C707 E710 | Q601-A604 HydrophobicContact CG-CB 3.6Å; Q601-A604 WeakPolarHBondContact O-CB 3.49Å; Q601-A604 PolarHBondContact O-N 3.28Å; P602-A604 VanDerWaalsContact C-N 3.26Å; P602-A604 PolarHBondContact O-N 2.93Å; A604-V606 PolarHBondContact O-N 3.32Å; A604-I706 HydrophobicContact CB-CG2 3.98Å; A604-I706 CarbonylContact O-C 3.54Å; A604-I706 WeakPolarHBondContact O-CA 3.28Å; A604-C707 PolarHBondContact O-N 3.43Å; A604-E710 HydrophobicContact CB-CB 3.74Å; A604-E710 HydrophobicContact CB-CG 3.82Å |
| 605 | V | 93.9 | Very high | 92 | Very high | 32 Ų | 32 | 39.1 Ų | 39.1 | 19% | 0.194 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 102.7 | 175.5 | 175.1 | 0 | 0 | 0 | 0 | 108.5 | P602 S603 T704 I706 E790 | P602-V605 PolarHBondContact O-N 2.83Å; S603-V605 VanDerWaalsContact C-N 3.27Å; S603-V605 PolarHBondContact O-N 2.85Å; V605-T704 HydrophobicContact CB-CG2 4.49Å; V605-T704 HydrophobicContact CG1-CG2 3.58Å; V605-T704 HydrophobicContact CG2-CG2 4.5Å; V605-I706 HydrophobicContact CG2-CD1 3.82Å; V605-E790 HydrophobicContact CG1-CB 4.2Å; V605-E790 HydrophobicContact CG1-CG 4.2Å; V605-E790 HydrophobicContact CG2-CB 4.45Å |
| 606 | V | 92.5 | Very high | 91.7 | Very high | 18 Ų | 18 | 40.9 Ų | 40.9 | 11% | 0.109 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 157.4 | -173.7 | -63.9 | 0 | 0 | 0 | 0 | 111.6 | A604 I610 T705 C707 | A604-V606 PolarHBondContact O-N 3.32Å; V606-I610 HydrophobicContact CB-CB 4.36Å; V606-I610 HydrophobicContact CB-CG2 4.22Å; V606-I610 HydrophobicContact CG1-CG2 3.93Å; V606-T705 HydrophobicContact CG2-CG2 3.97Å; V606-T705 PolarHBondContact N-O 3.43Å; V606-C707 HydrophobicContact CG1-CB 4.03Å; V606-C707 HydrophobicContact CG2-CB 4.02Å |
| 607 | N | 89.7 | Confident | 91.4 | Very high | 83 Ų | 83 | 44.1 Ų | 44.1 | 44% | 0.444 | 24% | 0.242 | S | C | . | . | trans | -120.9 | 172.8 | 173.1 | 65.1 | 33.4 | 0 | 0 | 0 | 110.5 | S609 I610 C611 | N607-S609 PolarHBondContact O-N 3.31Å; N607-S609 VanDerWaalsContact O-N 3.16Å; N607-S609 WeakPolarHBondContact OD1-CB 3.24Å; N607-S609 PolarHBondContact OD1-N 2.91Å; N607-S609 VanDerWaalsContact OD1-N 3.1Å; N607-S609 PolarHBondContact OD1-OG 2.79Å; N607-I610 PolarHBondContact O-N 3.36Å; N607-I610 WeakPolarHBondContact OD1-CG1 3.49Å; N607-I610 PolarHBondContact OD1-N 2.69Å; N607-C611 PolarHBondContact O-N 2.9Å | ||
| 608 | E | 86.8 | Confident | 90.9 | Very high | 174 Ų | 174 | 52.1 Ų | 52.1 | 81% | 0.813 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -55.8 | -34.6 | -178.2 | -69.2 | 178.8 | -179.6 | 0 | 0 | 113.1 | I610 C611 A612 | E608-I610 PolarHBondContact O-N 3.49Å; E608-C611 PolarHBondContact O-N 3.04Å; E608-A612 VanDerWaalsContact O-CB 3.25Å; E608-A612 WeakPolarHBondContact O-CB 3.19Å; E608-A612 PolarHBondContact O-N 3.28Å |
| 609 | S | 87.8 | Confident | 90.3 | Very high | 68 Ų | 68 | 59 Ų | 59 | 48% | 0.476 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.1 | -33.3 | 179.4 | 79.6 | 0 | 0 | 0 | 0 | 113.4 | N607 K613 | N607-S609 PolarHBondContact O-N 3.31Å; N607-S609 VanDerWaalsContact O-N 3.16Å; N607-S609 WeakPolarHBondContact OD1-CB 3.24Å; N607-S609 PolarHBondContact OD1-N 2.91Å; N607-S609 VanDerWaalsContact OD1-N 3.1Å; N607-S609 PolarHBondContact OD1-OG 2.79Å; S609-K613 WeakPolarHBondContact O-CG 3.18Å |
| 610 | I | 87.9 | Confident | 89.7 | Confident | 53 Ų | 53 | 64.4 Ų | 64.4 | 27% | 0.272 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -73.6 | -47.4 | 174.9 | -65.2 | 167 | 0 | 0 | 0 | 108.9 | V606 N607 E608 A612 K613 C614 | V606-I610 HydrophobicContact CB-CB 4.36Å; V606-I610 HydrophobicContact CB-CG2 4.22Å; V606-I610 HydrophobicContact CG1-CG2 3.93Å; N607-I610 PolarHBondContact O-N 3.36Å; N607-I610 WeakPolarHBondContact OD1-CG1 3.49Å; N607-I610 PolarHBondContact OD1-N 2.69Å; E608-I610 PolarHBondContact O-N 3.49Å; I610-A612 VanDerWaalsContact C-N 3.32Å; I610-A612 PolarHBondContact O-N 2.88Å; I610-K613 PolarHBondContact O-N 2.72Å; I610-K613 VanDerWaalsContact O-N 3.15Å; I610-C614 PolarHBondContact O-N 3.43Å |
| 611 | C | 89.9 | Confident | 89.3 | Confident | 15 Ų | 15 | 65.5 Ų | 65.5 | 10% | 0.101 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.9 | -44.1 | 176.4 | -69.8 | 0 | 0 | 0 | 0 | 111.5 | N607 E608 K613 C614 N617 | N607-C611 PolarHBondContact O-N 2.9Å; E608-C611 PolarHBondContact O-N 3.04Å; C611-K613 PolarHBondContact O-N 3.35Å; C611-K613 VanDerWaalsContact O-N 3.11Å; C611-C614 VanDerWaalsContact O-CB 3.31Å; C611-C614 WeakPolarHBondContact O-CB 3.46Å; C611-C614 PolarHBondContact O-N 3.49Å; C611-N617 VanDerWaalsContact C-ND2 3.32Å; C611-N617 WeakPolarHBondContact O-CB 3.11Å; C611-N617 VanDerWaalsContact O-CG 3.26Å; C611-N617 PolarHBondContact O-ND2 2.91Å; C611-N617 VanDerWaalsContact O-ND2 3.08Å |
| 612 | A | 89.2 | Confident | 89.1 | Confident | 73 Ų | 73 | 72 Ų | 72 | 60% | 0.603 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -57.1 | -29.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E608 I610 | E608-A612 VanDerWaalsContact O-CB 3.25Å; E608-A612 WeakPolarHBondContact O-CB 3.19Å; E608-A612 PolarHBondContact O-N 3.28Å; I610-A612 VanDerWaalsContact C-N 3.32Å; I610-A612 PolarHBondContact O-N 2.88Å |
| 613 | K | 89.5 | Confident | 89.1 | Confident | 136 Ų | 136 | 71.4 Ų | 71.4 | 59% | 0.591 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -91.6 | -8.8 | 178.7 | -65 | 174.9 | -176.7 | 178 | 0 | 113.5 | A113 N114 S609 I610 C611 | A113-K613 HydrophobicContact CB-CB 4.04Å; A113-K613 HydrophobicContact CB-CD 3.74Å; N114-K613 WeakPolarHBondContact CB-O 3.24Å; N114-K613 PolarHBondContact ND2-O 3.28Å; N114-K613 PolarHBondContact OD1-O 3.4Å; S609-K613 WeakPolarHBondContact O-CG 3.18Å; I610-K613 PolarHBondContact O-N 2.72Å; I610-K613 VanDerWaalsContact O-N 3.15Å; C611-K613 PolarHBondContact O-N 3.35Å; C611-K613 VanDerWaalsContact O-N 3.11Å |
| 614 | C | 89.8 | Confident | 89.1 | Confident | 24 Ų | 24 | 74 Ų | 74 | 16% | 0.162 | 39% | 0.39 | C | S | . | . | trans | -80.1 | 131.4 | -176 | -179.5 | 0 | 0 | 0 | 0 | 111.2 | N114 I610 C611 Y616 N617 | N114-C614 WeakPolarHBondContact OD1-CA 3.26Å; I610-C614 PolarHBondContact O-N 3.43Å; C611-C614 VanDerWaalsContact O-CB 3.31Å; C611-C614 WeakPolarHBondContact O-CB 3.46Å; C611-C614 PolarHBondContact O-N 3.49Å; C614-Y616 PolarHBondContact O-N 3.46Å; C614-N617 HydrophobicContact CB-CB 4.33Å; C614-N617 WeakPolarHBondContact O-CB 3.4Å; C614-N617 PolarHBondContact O-N 2.91Å; C614-N617 VanDerWaalsContact O-N 3.07Å | ||
| 615 | I | 88.5 | Confident | 89 | Confident | 84 Ų | 84 | 75.8 Ų | 75.8 | 43% | 0.431 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -19.8 | 179.1 | 68.9 | 169.1 | 0 | 0 | 0 | 114 | N114 | N114-I615 VanDerWaalsContact ND2-CG2 3.26Å; N114-I615 WeakPolarHBondContact ND2-CG2 3.46Å; N114-I615 WeakPolarHBondContact OD1-CG2 3.4Å; N114-I615 PolarHBondContact OD1-N 3.21Å |
| 616 | Y | 88.9 | Confident | 89 | Confident | 38 Ų | 38 | 79.5 Ų | 79.5 | 15% | 0.149 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -3.3 | -175.5 | -64.4 | -60.3 | 0 | 0 | 0 | 113.6 | L116 C614 R618 K858 Y860 | L116-Y616 HydrophobicContact CB-CD2 4.09Å; L116-Y616 HydrophobicContact CB-CE2 3.93Å; C614-Y616 PolarHBondContact O-N 3.46Å; Y616-R618 VanDerWaalsContact C-N 3.25Å; Y616-R618 PolarHBondContact O-N 3.15Å; Y616-K858 WeakPolarHBondContact OH-CB 3.36Å; Y616-K858 PolarHBondContact OH-O 2.99Å; Y616-Y860 HydrophobicContact CE2-CE2 4.43Å |
| 617 | N | 88.1 | Confident | 89.2 | Confident | 68 Ų | 68 | 79.5 Ų | 79.5 | 36% | 0.364 | 41% | 0.413 | S | S | . | . | trans | -77.9 | 77.6 | 179.1 | -172.5 | 39.6 | 0 | 0 | 0 | 110.9 | C611 C614 Q624 | C611-N617 VanDerWaalsContact C-ND2 3.32Å; C611-N617 WeakPolarHBondContact O-CB 3.11Å; C611-N617 VanDerWaalsContact O-CG 3.26Å; C611-N617 PolarHBondContact O-ND2 2.91Å; C611-N617 VanDerWaalsContact O-ND2 3.08Å; C614-N617 HydrophobicContact CB-CB 4.33Å; C614-N617 WeakPolarHBondContact O-CB 3.4Å; C614-N617 PolarHBondContact O-N 2.91Å; C614-N617 VanDerWaalsContact O-N 3.07Å; N617-Q624 PolarHBondContact OD1-NE2 3.41Å | ||
| 618 | R | 86 | Confident | 89.5 | Confident | 169 Ų | 169 | 79.6 Ų | 79.6 | 64% | 0.638 | 41% | 0.411 | S | S | * | . | trans | -99.1 | 160.3 | 171.7 | -63.1 | -178 | -178.1 | -179.5 | -1.7 | 109.8 | Y616 D620 A621 | Y616-R618 VanDerWaalsContact C-N 3.25Å; Y616-R618 PolarHBondContact O-N 3.15Å; R618-D620 WeakPolarHBondContact CB-OD1 3.12Å; R618-D620 PolarHBondContact O-N 2.79Å; R618-A621 WeakPolarHBondContact O-CB 3.15Å; R618-A621 PolarHBondContact O-N 3.3Å | ||
| 619 | P | 81.5 | Confident | 89.8 | Confident | 150 Ų | 150 | 71.6 Ų | 71.6 | 97% | 0.974 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -25.2 | 178.9 | -26.2 | 34.7 | 0 | 0 | 0 | 114.6 | ||
| 620 | D | 83.7 | Confident | 90 | Very high | 119 Ų | 119 | 69.2 Ų | 69.2 | 64% | 0.636 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | 13.1 | 178.2 | 68 | -34.9 | 0 | 0 | 0 | 114 | R618 K622 | R618-D620 WeakPolarHBondContact CB-OD1 3.12Å; R618-D620 PolarHBondContact O-N 2.79Å; D620-K622 PolarHBondContact O-N 3.18Å |
| 621 | A | 86.2 | Confident | 90.3 | Very high | 23 Ų | 23 | 66.7 Ų | 66.7 | 19% | 0.19 | 34% | 0.343 | C | S | . | . | trans | -63.9 | 101.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R618 C623 | R618-A621 WeakPolarHBondContact O-CB 3.15Å; R618-A621 PolarHBondContact O-N 3.3Å; A621-C623 VanDerWaalsContact C-N 3.26Å; A621-C623 PolarHBondContact O-N 2.85Å | ||
| 622 | K | 90.9 | Very high | 90.3 | Very high | 138 Ų | 138 | 71.2 Ų | 71.2 | 60% | 0.6 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -2.7 | 178.3 | -61.9 | -174.1 | -179.7 | -179.4 | 0 | 115 | D620 Q624 V848 I862 | D620-K622 PolarHBondContact O-N 3.18Å; K622-Q624 VanDerWaalsContact C-N 3.34Å; K622-Q624 PolarHBondContact O-N 2.81Å; K622-V848 HydrophobicContact CB-CG1 4.49Å; K622-V848 WeakPolarHBondContact O-CB 3.4Å; K622-I862 HydrophobicContact CB-CD1 4.04Å; K622-I862 HydrophobicContact CD-CD1 4.02Å |
| 623 | C | 92.6 | Very high | 90.2 | Very high | 8 Ų | 8 | 67.8 Ų | 67.8 | 5% | 0.054 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -10.4 | -175.2 | 64 | 0 | 0 | 0 | 0 | 114.3 | A621 K625 Q708 R709 | A621-C623 VanDerWaalsContact C-N 3.26Å; A621-C623 PolarHBondContact O-N 2.85Å; C623-K625 PolarHBondContact O-N 3.1Å; C623-Q708 WeakPolarHBondContact O-CB 2.99Å; C623-Q708 WeakPolarHBondContact O-CG 3.35Å; C623-Q708 PolarHBondContact O-N 3.31Å; C623-R709 HydrophobicContact CB-CB 4Å |
| 624 | Q | 92.5 | Very high | 90.3 | Very high | 81 Ų | 81 | 62.9 Ų | 62.9 | 38% | 0.379 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 101.4 | -177 | -60.4 | -177.7 | 26.5 | 0 | 0 | 110.6 | N617 K622 T705 | N617-Q624 PolarHBondContact OD1-NE2 3.41Å; K622-Q624 VanDerWaalsContact C-N 3.34Å; K622-Q624 PolarHBondContact O-N 2.81Å; Q624-T705 HydrophobicContact CB-CG2 3.82Å; Q624-T705 HydrophobicContact CG-CG2 4.25Å |
| 625 | K | 93.8 | Very high | 90.3 | Very high | 37 Ų | 37 | 62.2 Ų | 62.2 | 16% | 0.161 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 112.4 | 176.6 | -174.2 | 173.6 | -171.3 | 165.2 | 0 | 111 | N598 C623 M627 I706 Q708 N846 V848 | N598-K625 PolarHBondContact OD1-NZ 3.15Å; C623-K625 PolarHBondContact O-N 3.1Å; K625-M627 HydrophobicContact CD-CG 4.41Å; K625-M627 HydrophobicContact CD-SD 4.35Å; K625-M627 HydrophobicContact CG-CG 4.11Å; K625-I706 PolarHBondContact N-O 3.26Å; K625-I706 PolarHBondContact O-N 2.94Å; K625-Q708 HydrophobicContact CB-CG 3.75Å; K625-N846 WeakPolarHBondContact CD-OD1 3.41Å; K625-N846 VanDerWaalsContact NZ-CB 3.34Å; K625-N846 PolarHBondContact NZ-OD1 3.24Å; K625-V848 HydrophobicContact CB-CG2 4.34Å; K625-V848 HydrophobicContact CD-CG2 4.3Å |
| 626 | M | 94 | Very high | 90.2 | Very high | 110 Ų | 110 | 58.3 Ų | 58.3 | 54% | 0.542 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 124.8 | 174.9 | -67.7 | -62.5 | -84.9 | 0 | 0 | 110.7 | K703 T705 | M626-K703 HydrophobicContact CE-CB 3.79Å; M626-T705 HydrophobicContact SD-CG2 4.17Å; M626-T705 PolarHBondContact SD-OG1 2.87Å |
| 627 | M | 96.1 | Very high | 90.2 | Very high | 19 Ų | 19 | 56.8 Ų | 56.8 | 9% | 0.094 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 140.9 | 178 | -63.7 | -164.4 | 74.8 | 0 | 0 | 111.8 | N598 L600 K625 K703 T704 I706 I794 | N598-M627 HydrophobicContact CB-CE 4.06Å; N598-M627 HydrophobicContact CB-SD 3.8Å; L600-M627 HydrophobicContact CD2-SD 3.95Å; K625-M627 HydrophobicContact CD-CG 4.41Å; K625-M627 HydrophobicContact CD-SD 4.35Å; K625-M627 HydrophobicContact CG-CG 4.11Å; M627-K703 WeakPolarHBondContact O-CA 3.41Å; M627-T704 PolarHBondContact N-O 2.82Å; M627-T704 PolarHBondContact O-N 3.48Å; M627-I706 HydrophobicContact CB-CG1 4.43Å; M627-I706 HydrophobicContact CG-CG1 4.21Å; M627-I706 HydrophobicContact SD-CG1 4.22Å; M627-I794 HydrophobicContact CB-CD1 3.94Å; M627-I794 HydrophobicContact CB-CG1 4.14Å; M627-I794 HydrophobicContact CB-CG2 4.07Å; M627-I794 HydrophobicContact CE-CG2 3.57Å; M627-I794 HydrophobicContact SD-CG2 3.81Å |
| 628 | E | 94.7 | Very high | 90.1 | Very high | 84 Ų | 84 | 53.6 Ų | 53.6 | 39% | 0.393 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 142.3 | 179 | -72.1 | 177.3 | 178.9 | 0 | 0 | 111.7 | I701 R702 K703 H797 | E628-I701 HydrophobicContact CB-CG2 4.19Å; E628-I701 HydrophobicContact CG-CG2 4.19Å; E628-R702 WeakPolarHBondContact CA-O 3.37Å; E628-K703 HydrophobicContact CG-CD 4.39Å; E628-K703 HydrophobicContact CG-CG 3.77Å; E628-K703 WeakPolarHBondContact OE1-CE 3.41Å; E628-K703 IonicContact OE1-NZ 2.84Å; E628-K703 PolarHBondContact OE1-NZ 3.16Å; E628-H797 PolarHBondContact O-CD2 3.02Å |
| 629 | W | 94.5 | Very high | 90.1 | Very high | 6 Ų | 6 | 48 Ų | 48 | 2% | 0.023 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 165.1 | 169.8 | 63.6 | -72.8 | 0 | 0 | 0 | 109.9 | W631 I701 R702 T704 M789 E790 G793 I794 | W629-W631 HydrophobicContact CE3-CB 4.25Å; W629-W631 HydrophobicContact CH2-CB 3.84Å; W629-W631 AromaticContact CH2-CD1 3.71Å; W629-W631 HydrophobicContact CH2-CG 4.17Å; W629-W631 HydrophobicContact CZ2-CB 4.5Å; W629-W631 HydrophobicContact CZ3-CB 3.68Å; W629-W631 AromaticContact CZ3-CD1 3.93Å; W629-W631 HydrophobicContact CZ3-CG 4.24Å; W629-I701 CarbonylContact O-C 3.57Å; W629-I701 WeakPolarHBondContact O-CA 3.4Å; W629-R702 HydrophobicContact CD2-CB 4.47Å; W629-R702 HydrophobicContact CZ2-CB 4.1Å; W629-R702 PolarHBondContact N-O 2.92Å; W629-R702 PolarHBondContact O-N 3.44Å; W629-T704 PolarHBondContact NE1-OG1 3.35Å; W629-M789 HydrophobicContact CH2-CG 4.42Å; W629-M789 HydrophobicContact CH2-SD 4.46Å; W629-M789 HydrophobicContact CZ3-CG 4.13Å; W629-M789 HydrophobicContact CZ3-SD 4.32Å; W629-E790 HydrophobicContact CH2-CG 4.21Å; W629-E790 HydrophobicContact CZ2-CB 4.12Å; W629-E790 HydrophobicContact CZ2-CG 3.59Å; W629-G793 VanDerWaalsContact CB-C 3.48Å; W629-I794 HydrophobicContact CB-CG1 3.84Å; W629-I794 HydrophobicContact CG-CG1 4.1Å |
| 630 | V | 92.5 | Very high | 90.2 | Very high | 19 Ų | 19 | 45.3 Ų | 45.3 | 12% | 0.115 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 107.1 | -175.4 | -173.5 | 0 | 0 | 0 | 0 | 109.1 | Y500 V501 T699 E700 I701 H797 | Y500-V630 CarbonylContact C-O 3.43Å; Y500-V630 WeakPolarHBondContact CA-O 3.4Å; Y500-V630 WeakPolarHBondContact CB-O 3.4Å; V501-V630 HydrophobicContact CB-CB 3.92Å; V501-V630 HydrophobicContact CB-CG1 3.72Å; V501-V630 HydrophobicContact CG2-CB 4.26Å; V501-V630 HydrophobicContact CG2-CG1 3.58Å; V501-V630 PolarHBondContact N-O 2.78Å; V630-T699 HydrophobicContact CG1-CG2 3.28Å; V630-E700 CarbonylContact C-O 3.47Å; V630-E700 WeakPolarHBondContact CA-O 3.44Å; V630-I701 HydrophobicContact CG2-CG1 4.29Å; V630-H797 WeakPolarHBondContact CG2-ND1 3.25Å |
| 631 | W | 93.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 146.4 | 173 | 176.9 | 86.3 | 0 | 0 | 0 | 110.6 | T489 I495 E498 W629 G633 I635 R698 T699 E700 R702 | T489-W631 HydrophobicContact CG2-CH2 4.42Å; I495-W631 HydrophobicContact CD1-CZ2 4.15Å; I495-W631 HydrophobicContact CG2-CZ2 4.43Å; E498-W631 HydrophobicContact CB-CZ2 4.16Å; E498-W631 PolarHBondContact OE2-NE1 3Å; W629-W631 HydrophobicContact CE3-CB 4.25Å; W629-W631 HydrophobicContact CH2-CB 3.84Å; W629-W631 AromaticContact CH2-CD1 3.71Å; W629-W631 HydrophobicContact CH2-CG 4.17Å; W629-W631 HydrophobicContact CZ2-CB 4.5Å; W629-W631 HydrophobicContact CZ3-CB 3.68Å; W629-W631 AromaticContact CZ3-CD1 3.93Å; W629-W631 HydrophobicContact CZ3-CG 4.24Å; W631-G633 VanDerWaalsContact CH2-CA 3.41Å; W631-I635 HydrophobicContact CH2-CG2 4.14Å; W631-R698 HydrophobicContact CZ3-CB 3.98Å; W631-R698 HydrophobicContact CZ3-CG 4.09Å; W631-T699 CarbonylContact O-C 3.6Å; W631-T699 WeakPolarHBondContact O-CA 3.27Å; W631-T699 WeakPolarHBondContact O-CG2 3.28Å; W631-E700 HydrophobicContact CE3-CB 4.29Å; W631-E700 HydrophobicContact CE3-CG 4.03Å; W631-E700 HydrophobicContact CZ3-CG 4.31Å; W631-E700 PolarHBondContact N-O 3.45Å; W631-E700 PolarHBondContact O-N 2.98Å; W631-R702 HydrophobicContact CB-CG 4.11Å; W631-R702 VanDerWaalsContact CD2-CZ 3.43Å; W631-R702 VanDerWaalsContact CD2-NH2 3.29Å; W631-R702 VanDerWaalsContact CG-CZ 3.48Å |
| 632 | R | 88.9 | Confident | 90.3 | Very high | 109 Ų | 109 | 43.3 Ų | 43.3 | 41% | 0.411 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 111.7 | 173 | -179.5 | 178.7 | -177.5 | 178.4 | 2.1 | 110.1 | E498 T499 V501 R698 | E498-R632 CarbonylContact C-O 3.41Å; E498-R632 WeakPolarHBondContact CA-O 2.98Å; T499-R632 HydrophobicContact CG2-CB 4Å; T499-R632 HydrophobicContact CG2-CG 4.3Å; T499-R632 WeakPolarHBondContact CG2-O 3.43Å; T499-R632 PolarHBondContact N-O 3.37Å; T499-R632 CarbonylContact O-C 3.55Å; T499-R632 WeakPolarHBondContact O-CA 3.49Å; T499-R632 PolarHBondContact O-N 3.31Å; V501-R632 HydrophobicContact CG2-CB 3.91Å; R632-R698 CarbonylContact C-O 3.57Å; R632-R698 WeakPolarHBondContact CA-O 3.17Å |
| 633 | G | 88.4 | Confident | 90.1 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 145.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S497 W631 Y697 R698 | S497-G633 CarbonylContact O-C 3.03Å; S497-G633 WeakPolarHBondContact O-CA 3.46Å; W631-G633 VanDerWaalsContact CH2-CA 3.41Å; G633-Y697 WeakPolarHBondContact O-CA 3.43Å; G633-R698 PolarHBondContact N-O 3.28Å; G633-R698 PolarHBondContact O-N 3.35Å |
| 634 | E | 90.5 | Very high | 89.7 | Confident | 33 Ų | 33 | 44.8 Ų | 44.8 | 15% | 0.154 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 112.2 | 156.8 | -173.4 | -175.5 | 178.3 | 0 | 0 | 107.4 | M496 S497 H695 D696 Y697 | M496-E634 HydrophobicContact CB-CG 4.35Å; M496-E634 WeakPolarHBondContact CB-O 3.27Å; M496-E634 PolarHBondContact N-O 3.19Å; S497-E634 PolarHBondContact N-O 3.02Å; S497-E634 PolarHBondContact O-N 2.85Å; S497-E634 WeakPolarHBondContact OG-CB 3.27Å; S497-E634 PolarHBondContact OG-OE2 3.17Å; E634-H695 HydrophobicContact CG-CB 3.62Å; E634-H695 IonicContact OE1-CD2 3.7Å; E634-H695 IonicContact OE1-CE1 3.44Å; E634-H695 IonicContact OE1-CG 3.67Å; E634-H695 VanDerWaalsContact OE1-CG 3.27Å; E634-H695 IonicContact OE1-ND1 2.75Å; E634-H695 PolarHBondContact OE1-ND1 3.07Å; E634-D696 CarbonylContact C-O 3.5Å; E634-D696 VanDerWaalsContact CA-O 3.3Å; E634-D696 WeakPolarHBondContact CA-O 3.42Å; E634-Y697 HydrophobicContact CB-CD1 4.19Å; E634-Y697 HydrophobicContact CB-CE1 3.92Å; E634-Y697 HydrophobicContact CG-CE1 4Å |
| 635 | I | 90.2 | Very high | 89.4 | Confident | 11 Ų | 11 | 45.7 Ų | 45.7 | 6% | 0.056 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 147.9 | -175.4 | 64.1 | 179.2 | 0 | 0 | 0 | 110.5 | T489 H493 L494 I495 W631 H695 D696 R698 | T489-I635 HydrophobicContact CG2-CG2 3.89Å; H493-I635 HydrophobicContact CB-CD1 4.49Å; L494-I635 CarbonylContact O-C 3.6Å; L494-I635 WeakPolarHBondContact O-CA 3.26Å; I495-I635 HydrophobicContact CG1-CG2 4.09Å; W631-I635 HydrophobicContact CH2-CG2 4.14Å; I635-H695 CarbonylContact O-C 3.12Å; I635-H695 VanDerWaalsContact O-CA 3.24Å; I635-H695 WeakPolarHBondContact O-CA 3.33Å; I635-D696 HydrophobicContact CD1-CB 4.38Å; I635-D696 HydrophobicContact CG1-CB 3.82Å; I635-D696 PolarHBondContact N-O 2.99Å; I635-D696 PolarHBondContact O-N 3.35Å; I635-R698 HydrophobicContact CD1-CB 4.29Å |
| 636 | L | 87.5 | Confident | 89.1 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 131.4 | 168 | -81.1 | 156.8 | 0 | 0 | 0 | 108.9 | L494 M496 A638 L683 C687 S694 | L494-L636 HydrophobicContact CB-CB 4.29Å; L494-L636 HydrophobicContact CB-CD1 4.35Å; L494-L636 HydrophobicContact CD2-CD1 3.62Å; L494-L636 HydrophobicContact CG-CD1 4.12Å; L494-L636 PolarHBondContact O-N 3.24Å; M496-L636 HydrophobicContact CG-CD1 3.71Å; M496-L636 HydrophobicContact CG-CG 3.65Å; M496-L636 HydrophobicContact SD-CD1 4.06Å; M496-L636 HydrophobicContact SD-CD2 3.9Å; M496-L636 HydrophobicContact SD-CG 3.65Å; L636-A638 PolarHBondContact O-N 3.36Å; L636-A638 VanDerWaalsContact O-N 3.16Å; L636-L683 HydrophobicContact CD1-CB 4.1Å; L636-L683 HydrophobicContact CD1-CD1 4.4Å; L636-C687 HydrophobicContact CD2-CB 4.01Å; L636-C687 WeakPolarHBondContact CD2-SG 3.32Å; L636-S694 WeakPolarHBondContact CD2-O 3.19Å |
| 637 | P | 87.6 | Confident | 88.6 | Confident | 5 Ų | 5 | 41.3 Ų | 41.3 | 3% | 0.032 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | -25.7 | 175.8 | -27.6 | 35.1 | 0 | 0 | 0 | 114.1 | H493 Y691 R693 | H493-P637 PolarHBondContact CE1-O 3.25Å; H493-P637 PolarHBondContact ND1-O 3.12Å; P637-Y691 HydrophobicContact CB-CD1 3.65Å; P637-Y691 HydrophobicContact CB-CD2 3.48Å; P637-Y691 VanDerWaalsContact CB-CD2 3.48Å; P637-Y691 HydrophobicContact CB-CE1 4.05Å; P637-Y691 HydrophobicContact CB-CE2 3.87Å; P637-Y691 HydrophobicContact CB-CG 3.33Å; P637-Y691 HydrophobicContact CG-CD2 4.39Å; P637-Y691 HydrophobicContact CG-CG 4.2Å; P637-Y691 PolarHBondContact O-OH 2.76Å; P637-R693 HydrophobicContact CG-CG 4Å |
| 638 | A | 85.9 | Confident | 88 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 134.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | H493 L636 E642 Y686 Y691 | H493-A638 PolarHBondContact ND1-O 3.5Å; L636-A638 PolarHBondContact O-N 3.36Å; L636-A638 VanDerWaalsContact O-N 3.16Å; A638-E642 WeakPolarHBondContact CA-OE2 3.37Å; A638-E642 HydrophobicContact CB-CB 4.41Å; A638-Y686 HydrophobicContact CB-CD1 3.99Å; A638-Y686 HydrophobicContact CB-CE1 3.96Å; A638-Y691 HydrophobicContact CB-CE2 4.21Å |
| 639 | N | 86.4 | Confident | 87.6 | Confident | 53 Ų | 53 | 47.7 Ų | 47.7 | 28% | 0.283 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 174.7 | 177.1 | 70.3 | 37.6 | 0 | 0 | 0 | 111.9 | G492 S641 E642 Y643 | G492-N639 CarbonylContact O-C 3.53Å; G492-N639 WeakPolarHBondContact O-CA 3.44Å; N639-S641 VanDerWaalsContact C-N 3.31Å; N639-S641 PolarHBondContact O-N 3.33Å; N639-S641 PolarHBondContact OD1-N 3.09Å; N639-S641 PolarHBondContact OD1-OG 3.15Å; N639-E642 PolarHBondContact N-OE2 3.22Å; N639-E642 PolarHBondContact ND2-OE2 2.88Å; N639-E642 PolarHBondContact O-N 3.21Å; N639-E642 WeakPolarHBondContact OD1-CG 3.28Å; N639-E642 PolarHBondContact OD1-N 3.45Å; N639-E642 PolarHBondContact OD1-OE2 3.32Å; N639-Y643 WeakPolarHBondContact O-CB 3.22Å; N639-Y643 PolarHBondContact O-N 3.45Å |
| 640 | K | 84.1 | Confident | 87.2 | Confident | 93 Ų | 93 | 47.5 Ų | 47.5 | 40% | 0.404 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.9 | -31 | -175.6 | -166.6 | 172.6 | -175 | 175.4 | 0 | 113.9 | F488 G492 R644 | F488-K640 HydrophobicContact CD1-CB 4.14Å; F488-K640 HydrophobicContact CD1-CG 4.24Å; F488-K640 HydrophobicContact CE1-CB 4.13Å; F488-K640 HydrophobicContact CE1-CG 4.09Å; F488-K640 HydrophobicContact CZ-CG 4.32Å; G492-K640 PolarHBondContact O-N 3.17Å; K640-R644 VanDerWaalsContact O-CG 3.28Å; K640-R644 WeakPolarHBondContact O-CG 3.42Å; K640-R644 PolarHBondContact O-N 2.66Å; K640-R644 VanDerWaalsContact O-N 3.12Å |
| 641 | S | 83.6 | Confident | 86.6 | Confident | 65 Ų | 65 | 49 Ų | 49 | 46% | 0.455 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -76.2 | -42.5 | 178.5 | 57.8 | 0 | 0 | 0 | 0 | 111.4 | N639 Y643 R644 N645 | N639-S641 VanDerWaalsContact C-N 3.31Å; N639-S641 PolarHBondContact O-N 3.33Å; N639-S641 PolarHBondContact OD1-N 3.09Å; N639-S641 PolarHBondContact OD1-OG 3.15Å; S641-Y643 VanDerWaalsContact C-N 3.33Å; S641-Y643 PolarHBondContact O-N 3.01Å; S641-R644 PolarHBondContact O-N 2.99Å; S641-N645 VanDerWaalsContact O-CG 3.25Å; S641-N645 PolarHBondContact O-N 3.06Å; S641-N645 PolarHBondContact O-OD1 3Å |
| 642 | E | 89.2 | Confident | 86 | Confident | 34 Ų | 34 | 52.9 Ų | 52.9 | 16% | 0.159 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 174.8 | -64.5 | 165.4 | 132.5 | 0 | 0 | 111.4 | A638 N639 R644 N645 I646 Y686 Y691 | A638-E642 WeakPolarHBondContact CA-OE2 3.37Å; A638-E642 HydrophobicContact CB-CB 4.41Å; N639-E642 PolarHBondContact N-OE2 3.22Å; N639-E642 PolarHBondContact ND2-OE2 2.88Å; N639-E642 PolarHBondContact O-N 3.21Å; N639-E642 WeakPolarHBondContact OD1-CG 3.28Å; N639-E642 PolarHBondContact OD1-N 3.45Å; N639-E642 PolarHBondContact OD1-OE2 3.32Å; E642-R644 VanDerWaalsContact C-N 3.35Å; E642-R644 PolarHBondContact O-N 3.02Å; E642-N645 WeakPolarHBondContact O-CB 3.5Å; E642-N645 PolarHBondContact O-N 2.94Å; E642-I646 WeakPolarHBondContact O-CG1 3.08Å; E642-I646 PolarHBondContact O-N 3.34Å; E642-Y686 HydrophobicContact CB-CE1 3.97Å; E642-Y686 VanDerWaalsContact CD-OH 3.25Å; E642-Y686 HydrophobicContact CG-CE1 4.29Å; E642-Y686 WeakPolarHBondContact CG-OH 3.49Å; E642-Y686 PolarHBondContact OE1-OH 3.2Å; E642-Y691 PolarHBondContact OE1-OH 3.09Å; E642-Y691 PolarHBondContact OE2-OH 2.91Å |
| 643 | Y | 85.5 | Confident | 85.9 | Confident | 27 Ų | 27 | 50.6 Ų | 50.6 | 11% | 0.106 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.1 | -47.5 | 172 | 172.2 | -95.1 | 0 | 0 | 0 | 112.1 | K486 F488 L494 N639 S641 N645 I646 L647 E679 L683 | K486-Y643 HydrophobicContact CD-CE2 4Å; K486-Y643 WeakPolarHBondContact CD-OH 3.45Å; F488-Y643 HydrophobicContact CE1-CD1 4.14Å; F488-Y643 HydrophobicContact CE1-CG 4.09Å; F488-Y643 HydrophobicContact CE2-CE1 4.33Å; F488-Y643 AromaticContact CZ-CD1 3.49Å; F488-Y643 HydrophobicContact CZ-CD1 3.49Å; F488-Y643 VanDerWaalsContact CZ-CD1 3.49Å; F488-Y643 HydrophobicContact CZ-CD2 4.28Å; F488-Y643 AromaticContact CZ-CE1 3.64Å; F488-Y643 HydrophobicContact CZ-CE1 3.64Å; F488-Y643 HydrophobicContact CZ-CE2 4.4Å; F488-Y643 AromaticContact CZ-CG 3.81Å; F488-Y643 HydrophobicContact CZ-CG 3.81Å; L494-Y643 HydrophobicContact CD2-CD2 3.78Å; L494-Y643 HydrophobicContact CD2-CE2 3.62Å; N639-Y643 WeakPolarHBondContact O-CB 3.22Å; N639-Y643 PolarHBondContact O-N 3.45Å; S641-Y643 VanDerWaalsContact C-N 3.33Å; S641-Y643 PolarHBondContact O-N 3.01Å; Y643-N645 VanDerWaalsContact C-N 3.34Å; Y643-N645 PolarHBondContact O-N 3.03Å; Y643-I646 PolarHBondContact O-N 3.11Å; Y643-L647 HydrophobicContact CD1-CD1 3.89Å; Y643-L647 HydrophobicContact CE1-CD1 3.18Å; Y643-L647 HydrophobicContact CE1-CG 4.33Å; Y643-L647 HydrophobicContact CE2-CD1 4.25Å; Y643-L647 PolarHBondContact O-N 3.29Å; Y643-E679 WeakPolarHBondContact CE2-OE1 3.49Å; Y643-E679 VanDerWaalsContact CZ-OE1 3.26Å; Y643-E679 PolarHBondContact OH-OE1 3.37Å; Y643-L683 HydrophobicContact CD2-CD1 3.74Å; Y643-L683 HydrophobicContact CD2-CD2 3.83Å; Y643-L683 HydrophobicContact CD2-CG 4.41Å; Y643-L683 HydrophobicContact CE2-CD1 3.74Å |
| 644 | R | 85.1 | Confident | 85.6 | Confident | 150 Ų | 150 | 57.6 Ų | 57.6 | 57% | 0.566 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.4 | -40 | 176.5 | -78 | 173.1 | 177.4 | 167.8 | -4.6 | 112 | K640 S641 E642 I646 L647 H648 | K640-R644 VanDerWaalsContact O-CG 3.28Å; K640-R644 WeakPolarHBondContact O-CG 3.42Å; K640-R644 PolarHBondContact O-N 2.66Å; K640-R644 VanDerWaalsContact O-N 3.12Å; S641-R644 PolarHBondContact O-N 2.99Å; E642-R644 VanDerWaalsContact C-N 3.35Å; E642-R644 PolarHBondContact O-N 3.02Å; R644-I646 VanDerWaalsContact C-N 3.35Å; R644-L647 PolarHBondContact O-N 2.7Å; R644-H648 WeakPolarHBondContact O-CB 3.3Å; R644-H648 PolarHBondContact O-N 2.81Å |
| 645 | N | 85.8 | Confident | 85.1 | Confident | 101 Ų | 101 | 56.6 Ų | 56.6 | 54% | 0.54 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.2 | -41.6 | 176.5 | -69.1 | -12.8 | 0 | 0 | 0 | 111.4 | S641 E642 Y643 H648 Q649 | S641-N645 VanDerWaalsContact O-CG 3.25Å; S641-N645 PolarHBondContact O-N 3.06Å; S641-N645 PolarHBondContact O-OD1 3Å; E642-N645 WeakPolarHBondContact O-CB 3.5Å; E642-N645 PolarHBondContact O-N 2.94Å; Y643-N645 VanDerWaalsContact C-N 3.34Å; Y643-N645 PolarHBondContact O-N 3.03Å; N645-H648 PolarHBondContact O-N 3.03Å; N645-Q649 WeakPolarHBondContact O-CG 3.33Å; N645-Q649 PolarHBondContact O-N 3.08Å |
| 646 | I | 86.4 | Confident | 84.3 | Confident | 6 Ų | 6 | 58.4 Ų | 58.4 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 175.8 | -70.2 | 166.5 | 0 | 0 | 0 | 111 | E642 Y643 R644 H648 Q649 L650 R682 L683 Y686 | E642-I646 WeakPolarHBondContact O-CG1 3.08Å; E642-I646 PolarHBondContact O-N 3.34Å; Y643-I646 PolarHBondContact O-N 3.11Å; R644-I646 VanDerWaalsContact C-N 3.35Å; I646-H648 VanDerWaalsContact C-N 3.31Å; I646-H648 PolarHBondContact O-N 3.39Å; I646-Q649 WeakPolarHBondContact O-CB 3.4Å; I646-Q649 PolarHBondContact O-N 2.84Å; I646-L650 HydrophobicContact CG2-CD1 3.98Å; I646-L650 HydrophobicContact CG2-CG 4.41Å; I646-L650 VanDerWaalsContact O-CG 3.3Å; I646-L650 WeakPolarHBondContact O-CG 3.38Å; I646-L650 PolarHBondContact O-N 3.25Å; I646-R682 HydrophobicContact CG2-CB 4.19Å; I646-R682 HydrophobicContact CG2-CG 3.61Å; I646-L683 HydrophobicContact CD1-CD2 3.61Å; I646-L683 HydrophobicContact CD1-CG 4.42Å; I646-L683 HydrophobicContact CG2-CD2 4.39Å; I646-L683 HydrophobicContact CG2-CG 4.31Å; I646-Y686 HydrophobicContact CD1-CD1 3.7Å; I646-Y686 HydrophobicContact CD1-CD2 4.02Å; I646-Y686 HydrophobicContact CD1-CE1 4.36Å; I646-Y686 HydrophobicContact CD1-CG 3.51Å |
| 647 | L | 83.8 | Confident | 82.7 | Confident | 49 Ų | 49 | 59.1 Ų | 59.1 | 26% | 0.257 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.7 | -40 | 173.7 | -95.4 | 166.7 | 0 | 0 | 0 | 112.4 | Y643 R644 Q649 L650 S651 F667 E679 | Y643-L647 HydrophobicContact CD1-CD1 3.89Å; Y643-L647 HydrophobicContact CE1-CD1 3.18Å; Y643-L647 HydrophobicContact CE1-CG 4.33Å; Y643-L647 HydrophobicContact CE2-CD1 4.25Å; Y643-L647 PolarHBondContact O-N 3.29Å; R644-L647 PolarHBondContact O-N 2.7Å; L647-Q649 VanDerWaalsContact C-N 3.35Å; L647-L650 PolarHBondContact O-N 3.42Å; L647-S651 WeakPolarHBondContact O-CB 3.37Å; L647-S651 PolarHBondContact O-N 2.93Å; L647-S651 PolarHBondContact O-OG 2.69Å; L647-F667 HydrophobicContact CD2-CE1 3.98Å; L647-F667 HydrophobicContact CD2-CZ 4.31Å; L647-E679 HydrophobicContact CD2-CG 4.43Å |
| 648 | H | 83.8 | Confident | 81.2 | Confident | 136 Ų | 136 | 64.1 Ų | 64.1 | 63% | 0.63 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -67.7 | -34.3 | 176.4 | -165.8 | -56.7 | 0 | 0 | 0 | 112.2 | R644 N645 I646 S651 | R644-H648 WeakPolarHBondContact O-CB 3.3Å; R644-H648 PolarHBondContact O-N 2.81Å; N645-H648 PolarHBondContact O-N 3.03Å; I646-H648 VanDerWaalsContact C-N 3.31Å; I646-H648 PolarHBondContact O-N 3.39Å; H648-S651 WeakPolarHBondContact CA-OG 3.21Å; H648-S651 PolarHBondContact O-OG 3.44Å |
| 649 | Q | 85.8 | Confident | 79.4 | Confident | 101 Ų | 101 | 66.3 Ų | 66.3 | 47% | 0.472 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.9 | -50.9 | 170.9 | -73.9 | 177 | -4.8 | 0 | 0 | 110.4 | N645 I646 L647 S651 S652 E653 | N645-Q649 WeakPolarHBondContact O-CG 3.33Å; N645-Q649 PolarHBondContact O-N 3.08Å; I646-Q649 WeakPolarHBondContact O-CB 3.4Å; I646-Q649 PolarHBondContact O-N 2.84Å; L647-Q649 VanDerWaalsContact C-N 3.35Å; Q649-S651 VanDerWaalsContact C-N 3.32Å; Q649-S651 PolarHBondContact O-N 3Å; Q649-S652 PolarHBondContact O-N 3.28Å; Q649-S652 PolarHBondContact O-OG 3.48Å; Q649-E653 WeakPolarHBondContact O-CG 3.26Å; Q649-E653 PolarHBondContact O-N 3.49Å |
| 650 | L | 87.2 | Confident | 77.8 | Confident | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58 | -43.7 | 179.4 | -69.3 | 168.5 | 0 | 0 | 0 | 111.5 | I646 L647 S652 E653 F655 F667 E679 R682 | I646-L650 HydrophobicContact CG2-CD1 3.98Å; I646-L650 HydrophobicContact CG2-CG 4.41Å; I646-L650 VanDerWaalsContact O-CG 3.3Å; I646-L650 WeakPolarHBondContact O-CG 3.38Å; I646-L650 PolarHBondContact O-N 3.25Å; L647-L650 PolarHBondContact O-N 3.42Å; L650-S652 PolarHBondContact O-N 3.3Å; L650-E653 PolarHBondContact O-N 3.12Å; L650-F655 HydrophobicContact CB-CZ 4.2Å; L650-F655 HydrophobicContact CD2-CE1 3.77Å; L650-F655 HydrophobicContact CD2-CZ 3.53Å; L650-F655 HydrophobicContact CG-CZ 4.48Å; L650-F655 VanDerWaalsContact O-CE2 3.29Å; L650-F655 WeakPolarHBondContact O-CE2 3.42Å; L650-F667 HydrophobicContact CB-CD2 3.97Å; L650-F667 HydrophobicContact CB-CE2 4.07Å; L650-F667 HydrophobicContact CB-CG 4.21Å; L650-F667 HydrophobicContact CB-CZ 4.38Å; L650-F667 HydrophobicContact CD1-CE2 4.23Å; L650-F667 HydrophobicContact CD1-CZ 4.38Å; L650-F667 VanDerWaalsContact O-CB 3.26Å; L650-F667 WeakPolarHBondContact O-CB 3.23Å; L650-E679 HydrophobicContact CD1-CB 3.94Å; L650-E679 HydrophobicContact CD1-CG 3.76Å; L650-R682 HydrophobicContact CD1-CB 4.39Å; L650-R682 HydrophobicContact CD2-CB 4.21Å; L650-R682 HydrophobicContact CD2-CG 4.26Å |
| 651 | S | 80.4 | Confident | 76.1 | Confident | 52 Ų | 52 | 67.7 Ų | 67.7 | 36% | 0.364 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.5 | -30.4 | -178.9 | 67.4 | 0 | 0 | 0 | 0 | 113.9 | L647 H648 Q649 | L647-S651 WeakPolarHBondContact O-CB 3.37Å; L647-S651 PolarHBondContact O-N 2.93Å; L647-S651 PolarHBondContact O-OG 2.69Å; H648-S651 WeakPolarHBondContact CA-OG 3.21Å; H648-S651 PolarHBondContact O-OG 3.44Å; Q649-S651 VanDerWaalsContact C-N 3.32Å; Q649-S651 PolarHBondContact O-N 3Å |
| 652 | S | 80.5 | Confident | 74.5 | Confident | 80 Ų | 80 | 65.9 Ų | 65.9 | 56% | 0.559 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -81.2 | -16.8 | 177 | 73.4 | 0 | 0 | 0 | 0 | 114.1 | Q649 L650 | Q649-S652 PolarHBondContact O-N 3.28Å; Q649-S652 PolarHBondContact O-OG 3.48Å; L650-S652 PolarHBondContact O-N 3.3Å |
| 653 | E | 86.5 | Confident | 73.4 | Confident | 61 Ų | 61 | 69.3 Ų | 69.3 | 29% | 0.285 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -88.3 | 156.3 | -175.1 | -72.1 | 176.6 | -145.5 | 0 | 0 | 112.7 | Q649 L650 F655 Y666 F667 R682 | Q649-E653 WeakPolarHBondContact O-CG 3.26Å; Q649-E653 PolarHBondContact O-N 3.49Å; L650-E653 PolarHBondContact O-N 3.12Å; E653-F655 HydrophobicContact CB-CE1 4.43Å; E653-F655 HydrophobicContact CB-CE2 3.6Å; E653-F655 HydrophobicContact CB-CZ 3.56Å; E653-F655 WeakPolarHBondContact O-CE2 2.99Å; E653-Y666 WeakPolarHBondContact O-CA 3.45Å; E653-F667 PolarHBondContact O-N 2.78Å; E653-R682 IonicContact OE1-CZ 3.17Å; E653-R682 IonicContact OE1-NH1 3.19Å; E653-R682 PolarHBondContact OE1-NH1 2.99Å; E653-R682 IonicContact OE1-NH2 2.73Å; E653-R682 PolarHBondContact OE1-NH2 3.07Å; E653-R682 IonicContact OE2-CZ 3.19Å; E653-R682 IonicContact OE2-NH1 2.67Å; E653-R682 IonicContact OE2-NH2 3.64Å; E653-R682 PolarHBondContact OE2-NH2 2.89Å |
| 654 | R | 82.7 | Confident | 72.9 | Confident | 148 Ų | 148 | 74.5 Ų | 74.5 | 56% | 0.558 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 127 | 172.7 | -67.8 | -174.3 | 177 | -178.6 | 1.7 | 110.4 | K664 R665 Y666 | R654-K664 HydrophobicContact CB-CB 4.13Å; R654-R665 CarbonylContact C-O 3.59Å; R654-R665 WeakPolarHBondContact CA-O 3.05Å; R654-Y666 HydrophobicContact CG-CD1 3.61Å; R654-Y666 HydrophobicContact CG-CD2 4.2Å; R654-Y666 HydrophobicContact CG-CE1 3.62Å; R654-Y666 HydrophobicContact CG-CE2 4.21Å; R654-Y666 HydrophobicContact CG-CG 3.91Å; R654-Y666 PolarHBondContact NE-OH 3.29Å; R654-Y666 VanDerWaalsContact NE-OH 3.16Å; R654-Y666 PolarHBondContact NH2-OH 3.49Å |
| 655 | F | 79.5 | Confident | 72.6 | Confident | 12 Ų | 12 | 72.1 Ų | 72.1 | 5% | 0.053 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 147.2 | -173.4 | -55.8 | -97.2 | 0 | 0 | 0 | 110.6 | L650 E653 K664 R665 F667 L670 Y678 | L650-F655 HydrophobicContact CB-CZ 4.2Å; L650-F655 HydrophobicContact CD2-CE1 3.77Å; L650-F655 HydrophobicContact CD2-CZ 3.53Å; L650-F655 HydrophobicContact CG-CZ 4.48Å; L650-F655 VanDerWaalsContact O-CE2 3.29Å; L650-F655 WeakPolarHBondContact O-CE2 3.42Å; E653-F655 HydrophobicContact CB-CE1 4.43Å; E653-F655 HydrophobicContact CB-CE2 3.6Å; E653-F655 HydrophobicContact CB-CZ 3.56Å; E653-F655 WeakPolarHBondContact O-CE2 2.99Å; F655-K664 CarbonylContact O-C 3.51Å; F655-K664 VanDerWaalsContact O-CA 3.27Å; F655-K664 WeakPolarHBondContact O-CA 3.49Å; F655-R665 PolarHBondContact N-O 3.27Å; F655-R665 PolarHBondContact O-N 2.72Å; F655-F667 HydrophobicContact CD2-CB 4.19Å; F655-F667 HydrophobicContact CD2-CD2 4.29Å; F655-F667 HydrophobicContact CE2-CB 3.67Å; F655-F667 AromaticContact CE2-CD2 3.75Å; F655-F667 HydrophobicContact CE2-CD2 3.75Å; F655-F667 HydrophobicContact CE2-CG 4.18Å; F655-F667 AromaticContact CZ-CD2 3.98Å; F655-F667 HydrophobicContact CZ-CD2 3.98Å; F655-L670 HydrophobicContact CB-CD1 3.69Å; F655-L670 HydrophobicContact CB-CD2 4.01Å; F655-L670 HydrophobicContact CB-CG 4.32Å; F655-L670 HydrophobicContact CD2-CD1 3.68Å; F655-L670 HydrophobicContact CG-CD1 3.7Å; F655-Y678 HydrophobicContact CB-CD2 4.24Å; F655-Y678 HydrophobicContact CB-CE2 3.79Å; F655-Y678 AromaticContact CD1-CD1 3.59Å; F655-Y678 HydrophobicContact CD1-CD1 3.59Å; F655-Y678 AromaticContact CD1-CD2 3.75Å; F655-Y678 HydrophobicContact CD1-CD2 3.75Å; F655-Y678 AromaticContact CD1-CE1 3.8Å; F655-Y678 HydrophobicContact CD1-CE1 3.8Å; F655-Y678 AromaticContact CD1-CE2 3.98Å; F655-Y678 HydrophobicContact CD1-CE2 3.98Å; F655-Y678 AromaticContact CD1-CG 3.58Å; F655-Y678 HydrophobicContact CD1-CG 3.58Å; F655-Y678 AromaticContact CD1-CZ 3.99Å; F655-Y678 HydrophobicContact CE1-CD1 4.03Å; F655-Y678 HydrophobicContact CE1-CD2 4.47Å; F655-Y678 AromaticContact CE1-CG 3.96Å; F655-Y678 HydrophobicContact CE1-CG 3.96Å; F655-Y678 HydrophobicContact CG-CD2 4.14Å; F655-Y678 HydrophobicContact CG-CE2 4.18Å; F655-Y678 HydrophobicContact CG-CG 4.4Å |
| 656 | A | 73 | Confident | 72.6 | Confident | 50 Ų | 50 | 71.6 Ų | 71.6 | 41% | 0.413 | 39% | 0.387 | S | S | . | . | trans | -74.2 | 133.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y678 | A656-Y678 PolarHBondContact O-OH 3.33Š| ||
| 657 | S | 52.9 | Low | 72.4 | Confident | 17 Ų | 17 | 72.2 Ų | 72.2 | 12% | 0.119 | 39% | 0.39 | C | S | . | . | trans | -69.3 | 148.7 | 170.5 | 179.3 | 0 | 0 | 0 | 0 | 109.6 | S659 | S657-S659 PolarHBondContact O-N 3.01Å; S657-S659 VanDerWaalsContact O-N 3.07Å | ||
| 658 | S | 56.1 | Low | 72.2 | Confident | 110 Ų | 110 | 76 Ų | 76 | 77% | 0.769 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -51.3 | -23.3 | 172.2 | 41.6 | 0 | 0 | 0 | 0 | 114.6 | E674 | S658-E674 PolarHBondContact N-OE1 3.35Å; S658-E674 VanDerWaalsContact N-OE1 3.14Å; S658-E674 PolarHBondContact OG-OE1 3.43Å |
| 659 | S | 48.2 | Very low | 71.9 | Confident | 46 Ų | 46 | 71.7 Ų | 71.7 | 32% | 0.322 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -96.9 | 122.6 | 171.3 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | S657 V661 A662 | S657-S659 PolarHBondContact O-N 3.01Å; S657-S659 VanDerWaalsContact O-N 3.07Å; S659-V661 PolarHBondContact O-N 2.86Å; S659-A662 PolarHBondContact O-N 3.42Å; S659-A662 VanDerWaalsContact O-N 3.15Å |
| 660 | V | 53.3 | Low | 71.5 | Confident | 101 Ų | 101 | 67.3 Ų | 67.3 | 61% | 0.612 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -6.4 | -168.7 | -150.9 | 0 | 0 | 0 | 0 | 114.8 | ||
| 661 | V | 48.9 | Very low | 70.9 | Confident | 75 Ų | 75 | 69.6 Ų | 69.6 | 46% | 0.455 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -32.4 | 178 | -158.3 | 0 | 0 | 0 | 0 | 113.4 | S659 Q1890 | S659-V661 PolarHBondContact O-N 2.86Å; V661-Q1890 WeakPolarHBondContact CB-O 3.4Å; V661-Q1890 WeakPolarHBondContact CG1-O 3.42Å; V661-Q1890 HydrophobicContact CG2-CB 3.24Å; V661-Q1890 HydrophobicContact CG2-CG 3.94Å; V661-Q1890 WeakPolarHBondContact CG2-O 3.46Å |
| 662 | A | 49.2 | Very low | 70.2 | Confident | 27 Ų | 27 | 72.4 Ų | 72.4 | 22% | 0.223 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -79.5 | 139.1 | -159.3 | 0 | 0 | 0 | 0 | 0 | 110 | S659 K664 | S659-A662 PolarHBondContact O-N 3.42Å; S659-A662 VanDerWaalsContact O-N 3.15Å; A662-K664 PolarHBondContact O-N 3.44Å |
| 663 | P | 67.6 | Low | 69.6 | Low | 105 Ų | 105 | 76.1 Ų | 76.1 | 68% | 0.682 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 142.2 | 178.4 | 21.5 | -31.6 | 0 | 0 | 0 | 110.5 | R665 | P663-R665 VanDerWaalsContact O-CG 3.26Å; P663-R665 WeakPolarHBondContact O-CG 3.46Å; P663-R665 PolarHBondContact O-N 2.68Å |
| 664 | K | 74.7 | Confident | 69 | Low | 136 Ų | 136 | 74.2 Ų | 74.2 | 59% | 0.591 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 123.5 | 176.7 | -68.2 | -172.5 | 176.4 | -174 | 0 | 109.4 | R654 F655 A662 | R654-K664 HydrophobicContact CB-CB 4.13Å; F655-K664 CarbonylContact O-C 3.51Å; F655-K664 VanDerWaalsContact O-CA 3.27Å; F655-K664 WeakPolarHBondContact O-CA 3.49Å; A662-K664 PolarHBondContact O-N 3.44Å |
| 665 | R | 79.2 | Confident | 68.8 | Low | 100 Ų | 100 | 69 Ų | 69 | 38% | 0.377 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 145 | -177.6 | -53 | -174.1 | -162.3 | 162.7 | 6.6 | 108.6 | R654 F655 P663 A669 L670 | R654-R665 CarbonylContact C-O 3.59Å; R654-R665 WeakPolarHBondContact CA-O 3.05Å; F655-R665 PolarHBondContact N-O 3.27Å; F655-R665 PolarHBondContact O-N 2.72Å; P663-R665 VanDerWaalsContact O-CG 3.26Å; P663-R665 WeakPolarHBondContact O-CG 3.46Å; P663-R665 PolarHBondContact O-N 2.68Å; R665-A669 HydrophobicContact CB-CB 3.91Å; R665-A669 VanDerWaalsContact CD-O 3.29Å; R665-A669 WeakPolarHBondContact CD-O 3.01Å; R665-L670 HydrophobicContact CB-CD2 4.14Å |
| 666 | Y | 85 | Confident | 68.4 | Low | 90 Ų | 90 | 72.3 Ų | 72.3 | 35% | 0.353 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 156.6 | 167.4 | -76.1 | -79.5 | 0 | 0 | 0 | 110.1 | E653 R654 H668 A669 L670 | E653-Y666 WeakPolarHBondContact O-CA 3.45Å; R654-Y666 HydrophobicContact CG-CD1 3.61Å; R654-Y666 HydrophobicContact CG-CD2 4.2Å; R654-Y666 HydrophobicContact CG-CE1 3.62Å; R654-Y666 HydrophobicContact CG-CE2 4.21Å; R654-Y666 HydrophobicContact CG-CG 3.91Å; R654-Y666 PolarHBondContact NE-OH 3.29Å; R654-Y666 VanDerWaalsContact NE-OH 3.16Å; R654-Y666 PolarHBondContact NH2-OH 3.49Å; Y666-H668 WeakPolarHBondContact CB-CE1 3.38Å; Y666-H668 WeakPolarHBondContact CB-ND1 3.46Å; Y666-H668 AromaticContact CD2-CE1 3.91Å; Y666-H668 AromaticContact CG-CE1 3.62Å; Y666-H668 PolarHBondContact O-N 3.06Å; Y666-H668 VanDerWaalsContact O-N 3.1Å; Y666-A669 WeakPolarHBondContact O-CA 3.27Å; Y666-A669 PolarHBondContact O-N 2.75Å; Y666-L670 PolarHBondContact O-N 3.45Å |
| 667 | F | 81.7 | Confident | 68.6 | Low | 19 Ų | 19 | 75.3 Ų | 75.3 | 8% | 0.083 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -47.4 | -43.1 | 179.3 | -168.7 | -110.6 | 0 | 0 | 0 | 113.1 | L647 L650 E653 F655 A669 L670 K675 E679 | L647-F667 HydrophobicContact CD2-CE1 3.98Å; L647-F667 HydrophobicContact CD2-CZ 4.31Å; L650-F667 HydrophobicContact CB-CD2 3.97Å; L650-F667 HydrophobicContact CB-CE2 4.07Å; L650-F667 HydrophobicContact CB-CG 4.21Å; L650-F667 HydrophobicContact CB-CZ 4.38Å; L650-F667 HydrophobicContact CD1-CE2 4.23Å; L650-F667 HydrophobicContact CD1-CZ 4.38Å; L650-F667 VanDerWaalsContact O-CB 3.26Å; L650-F667 WeakPolarHBondContact O-CB 3.23Å; E653-F667 PolarHBondContact O-N 2.78Å; F655-F667 HydrophobicContact CD2-CB 4.19Å; F655-F667 HydrophobicContact CD2-CD2 4.29Å; F655-F667 HydrophobicContact CE2-CB 3.67Å; F655-F667 AromaticContact CE2-CD2 3.75Å; F655-F667 HydrophobicContact CE2-CD2 3.75Å; F655-F667 HydrophobicContact CE2-CG 4.18Å; F655-F667 AromaticContact CZ-CD2 3.98Å; F655-F667 HydrophobicContact CZ-CD2 3.98Å; F667-A669 PolarHBondContact O-N 2.97Å; F667-L670 HydrophobicContact CD2-CD1 4.1Å; F667-L670 WeakPolarHBondContact O-CB 3.09Å; F667-L670 PolarHBondContact O-N 3.02Å; F667-K675 HydrophobicContact CD1-CG 4.44Å; F667-K675 HydrophobicContact CD2-CG 4.31Å; F667-K675 HydrophobicContact CE1-CB 4.36Å; F667-K675 HydrophobicContact CE1-CD 4.45Å; F667-K675 HydrophobicContact CE1-CG 4.17Å; F667-K675 HydrophobicContact CE2-CB 3.92Å; F667-K675 HydrophobicContact CE2-CG 4.03Å; F667-K675 HydrophobicContact CZ-CB 3.74Å; F667-K675 HydrophobicContact CZ-CG 3.95Å; F667-K675 WeakPolarHBondContact O-CE 3.32Å; F667-K675 WeakPolarHBondContact O-CG 3.32Å; F667-E679 HydrophobicContact CZ-CB 4.43Å |
| 668 | H | 79.8 | Confident | 70 | Confident | 129 Ų | 129 | 76.9 Ų | 76.9 | 60% | 0.597 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -62.2 | -27.5 | 179.9 | 59.8 | -99.2 | 0 | 0 | 0 | 113.3 | Y666 K675 | Y666-H668 WeakPolarHBondContact CB-CE1 3.38Å; Y666-H668 WeakPolarHBondContact CB-ND1 3.46Å; Y666-H668 AromaticContact CD2-CE1 3.91Å; Y666-H668 AromaticContact CG-CE1 3.62Å; Y666-H668 PolarHBondContact O-N 3.06Å; Y666-H668 VanDerWaalsContact O-N 3.1Å; H668-K675 WeakPolarHBondContact O-CE 3.35Å; H668-K675 PolarHBondContact O-NZ 3.22Å; H668-K675 VanDerWaalsContact O-NZ 3.08Å |
| 669 | A | 78.4 | Confident | 71.2 | Confident | 46 Ų | 46 | 72.3 Ų | 72.3 | 38% | 0.38 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -95.3 | 3.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | R665 Y666 F667 | R665-A669 HydrophobicContact CB-CB 3.91Å; R665-A669 VanDerWaalsContact CD-O 3.29Å; R665-A669 WeakPolarHBondContact CD-O 3.01Å; Y666-A669 WeakPolarHBondContact O-CA 3.27Å; Y666-A669 PolarHBondContact O-N 2.75Å; F667-A669 PolarHBondContact O-N 2.97Å |
| 670 | L | 77.7 | Confident | 72.7 | Confident | 8 Ų | 8 | 72.7 Ų | 72.7 | 4% | 0.042 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -80 | 159.8 | 169.9 | -64 | 175.4 | 0 | 0 | 0 | 111.8 | F655 R665 Y666 F667 E674 K675 Y678 | F655-L670 HydrophobicContact CB-CD1 3.69Å; F655-L670 HydrophobicContact CB-CD2 4.01Å; F655-L670 HydrophobicContact CB-CG 4.32Å; F655-L670 HydrophobicContact CD2-CD1 3.68Å; F655-L670 HydrophobicContact CG-CD1 3.7Å; R665-L670 HydrophobicContact CB-CD2 4.14Å; Y666-L670 PolarHBondContact O-N 3.45Å; F667-L670 HydrophobicContact CD2-CD1 4.1Å; F667-L670 WeakPolarHBondContact O-CB 3.09Å; F667-L670 PolarHBondContact O-N 3.02Å; L670-E674 HydrophobicContact CB-CB 4.05Å; L670-E674 HydrophobicContact CD1-CB 4.42Å; L670-K675 HydrophobicContact CB-CG 3.9Å; L670-K675 VanDerWaalsContact O-CE 3.23Å; L670-K675 WeakPolarHBondContact O-CE 3.43Å; L670-Y678 HydrophobicContact CD1-CD2 3.91Å; L670-Y678 HydrophobicContact CD1-CE2 4.2Å |
| 671 | S | 72.8 | Confident | 74 | Confident | 50 Ų | 50 | 72.8 Ų | 72.8 | 35% | 0.35 | 36% | 0.361 | S | S | . | . | trans | -65.8 | 157.7 | 169 | 77.9 | 0 | 0 | 0 | 0 | 110.9 | E673 E674 K675 | S671-E673 PolarHBondContact O-N 3.03Å; S671-E674 PolarHBondContact N-OE2 3.1Å; S671-E674 PolarHBondContact O-N 3.19Å; S671-E674 WeakPolarHBondContact OG-CG 3.29Å; S671-E674 PolarHBondContact OG-N 2.92Å; S671-K675 WeakPolarHBondContact O-CG 3.21Å; S671-K675 PolarHBondContact O-N 3.44Å | ||
| 672 | N | 66.7 | Low | 75.8 | Confident | 111 Ų | 111 | 73 Ų | 73 | 59% | 0.594 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61.7 | -33.1 | 179.5 | -73.5 | -19.4 | 0 | 0 | 0 | 112.8 | Q676 | N672-Q676 WeakPolarHBondContact O-CB 3.19Å; N672-Q676 PolarHBondContact O-N 3.31Å |
| 673 | E | 66.8 | Low | 77.5 | Confident | 158 Ų | 158 | 71.8 Ų | 71.8 | 74% | 0.738 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -66.3 | -46.7 | 174.6 | -69 | 166.8 | 161.1 | 0 | 0 | 111.5 | S671 Q676 E677 | S671-E673 PolarHBondContact O-N 3.03Å; E673-Q676 PolarHBondContact O-N 3.23Å; E673-E677 WeakPolarHBondContact O-CB 3.09Å; E673-E677 PolarHBondContact O-N 3.31Å |
| 674 | E | 75.7 | Confident | 78.2 | Confident | 20 Ų | 20 | 70.8 Ų | 70.8 | 9% | 0.093 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 176.1 | -73.5 | 176.7 | 147.6 | 0 | 0 | 110.7 | S658 L670 S671 Q676 E677 Y678 | S658-E674 PolarHBondContact N-OE1 3.35Å; S658-E674 VanDerWaalsContact N-OE1 3.14Å; S658-E674 PolarHBondContact OG-OE1 3.43Å; L670-E674 HydrophobicContact CB-CB 4.05Å; L670-E674 HydrophobicContact CD1-CB 4.42Å; S671-E674 PolarHBondContact N-OE2 3.1Å; S671-E674 PolarHBondContact O-N 3.19Å; S671-E674 WeakPolarHBondContact OG-CG 3.29Å; S671-E674 PolarHBondContact OG-N 2.92Å; E674-Q676 VanDerWaalsContact C-N 3.34Å; E674-Q676 PolarHBondContact O-N 3.26Å; E674-E677 PolarHBondContact O-N 3.01Å; E674-Y678 WeakPolarHBondContact O-CD2 3.31Å; E674-Y678 PolarHBondContact O-N 2.97Å |
| 675 | K | 77 | Confident | 78.7 | Confident | 39 Ų | 39 | 67.9 Ų | 67.9 | 17% | 0.17 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -53.7 | -51.2 | 174.8 | -73 | 173.3 | -179.2 | 163.8 | 0 | 110.7 | F667 H668 L670 S671 E677 Y678 E679 | F667-K675 HydrophobicContact CD1-CG 4.44Å; F667-K675 HydrophobicContact CD2-CG 4.31Å; F667-K675 HydrophobicContact CE1-CB 4.36Å; F667-K675 HydrophobicContact CE1-CD 4.45Å; F667-K675 HydrophobicContact CE1-CG 4.17Å; F667-K675 HydrophobicContact CE2-CB 3.92Å; F667-K675 HydrophobicContact CE2-CG 4.03Å; F667-K675 HydrophobicContact CZ-CB 3.74Å; F667-K675 HydrophobicContact CZ-CG 3.95Å; F667-K675 WeakPolarHBondContact O-CE 3.32Å; F667-K675 WeakPolarHBondContact O-CG 3.32Å; H668-K675 WeakPolarHBondContact O-CE 3.35Å; H668-K675 PolarHBondContact O-NZ 3.22Å; H668-K675 VanDerWaalsContact O-NZ 3.08Å; L670-K675 HydrophobicContact CB-CG 3.9Å; L670-K675 VanDerWaalsContact O-CE 3.23Å; L670-K675 WeakPolarHBondContact O-CE 3.43Å; S671-K675 WeakPolarHBondContact O-CG 3.21Å; S671-K675 PolarHBondContact O-N 3.44Å; K675-E677 VanDerWaalsContact C-N 3.34Å; K675-E677 PolarHBondContact O-N 2.85Å; K675-Y678 PolarHBondContact O-N 3.32Å; K675-E679 WeakPolarHBondContact O-CB 3.44Å; K675-E679 PolarHBondContact O-N 3.46Å |
| 676 | Q | 71 | Confident | 79.1 | Confident | 81 Ų | 81 | 66.8 Ų | 66.8 | 38% | 0.379 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66 | -36.2 | -175.8 | -151.1 | 175.1 | 35.9 | 0 | 0 | 112.2 | N672 E673 E674 N680 | N672-Q676 WeakPolarHBondContact O-CB 3.19Å; N672-Q676 PolarHBondContact O-N 3.31Å; E673-Q676 PolarHBondContact O-N 3.23Å; E674-Q676 VanDerWaalsContact C-N 3.34Å; E674-Q676 PolarHBondContact O-N 3.26Å; Q676-N680 VanDerWaalsContact O-CB 3.22Å; Q676-N680 WeakPolarHBondContact O-CB 3.33Å; Q676-N680 PolarHBondContact O-N 2.9Å; Q676-N680 PolarHBondContact O-ND2 2.83Å |
| 677 | E | 77.1 | Confident | 79 | Confident | 113 Ų | 113 | 62.5 Ų | 62.5 | 53% | 0.528 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.4 | -49.9 | 177 | -161.3 | -157.9 | 137.4 | 0 | 0 | 112.1 | E673 E674 K675 E679 R681 | E673-E677 WeakPolarHBondContact O-CB 3.09Å; E673-E677 PolarHBondContact O-N 3.31Å; E674-E677 PolarHBondContact O-N 3.01Å; K675-E677 VanDerWaalsContact C-N 3.34Å; K675-E677 PolarHBondContact O-N 2.85Å; E677-E679 VanDerWaalsContact C-N 3.33Å; E677-E679 PolarHBondContact O-N 2.93Å; E677-R681 WeakPolarHBondContact O-CB 3.35Å; E677-R681 PolarHBondContact O-N 2.92Å; E677-R681 IonicContact OE1-CZ 3.35Å; E677-R681 IonicContact OE1-NH2 3Å; E677-R681 PolarHBondContact OE1-NH2 3.25Å |
| 678 | Y | 83.3 | Confident | 79 | Confident | 50 Ų | 50 | 65.5 Ų | 65.5 | 20% | 0.196 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 177.6 | -78.2 | -65 | 0 | 0 | 0 | 111.7 | F655 A656 L670 E674 K675 R681 R682 | F655-Y678 HydrophobicContact CB-CD2 4.24Å; F655-Y678 HydrophobicContact CB-CE2 3.79Å; F655-Y678 AromaticContact CD1-CD1 3.59Å; F655-Y678 HydrophobicContact CD1-CD1 3.59Å; F655-Y678 AromaticContact CD1-CD2 3.75Å; F655-Y678 HydrophobicContact CD1-CD2 3.75Å; F655-Y678 AromaticContact CD1-CE1 3.8Å; F655-Y678 HydrophobicContact CD1-CE1 3.8Å; F655-Y678 AromaticContact CD1-CE2 3.98Å; F655-Y678 HydrophobicContact CD1-CE2 3.98Å; F655-Y678 AromaticContact CD1-CG 3.58Å; F655-Y678 HydrophobicContact CD1-CG 3.58Å; F655-Y678 AromaticContact CD1-CZ 3.99Å; F655-Y678 HydrophobicContact CE1-CD1 4.03Å; F655-Y678 HydrophobicContact CE1-CD2 4.47Å; F655-Y678 AromaticContact CE1-CG 3.96Å; F655-Y678 HydrophobicContact CE1-CG 3.96Å; F655-Y678 HydrophobicContact CG-CD2 4.14Å; F655-Y678 HydrophobicContact CG-CE2 4.18Å; F655-Y678 HydrophobicContact CG-CG 4.4Å; A656-Y678 PolarHBondContact O-OH 3.33Å; L670-Y678 HydrophobicContact CD1-CD2 3.91Å; L670-Y678 HydrophobicContact CD1-CE2 4.2Å; E674-Y678 WeakPolarHBondContact O-CD2 3.31Å; E674-Y678 PolarHBondContact O-N 2.97Å; K675-Y678 PolarHBondContact O-N 3.32Å; Y678-R681 PolarHBondContact O-N 3.03Å; Y678-R682 WeakPolarHBondContact O-CB 3.35Å; Y678-R682 PolarHBondContact O-N 3.28Å |
| 679 | E | 81.8 | Confident | 79.1 | Confident | 15 Ų | 15 | 68.3 Ų | 68.3 | 7% | 0.07 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.1 | -49.1 | 178.7 | -162.6 | -158.2 | 147.3 | 0 | 0 | 111.9 | K486 Y643 L647 L650 F667 K675 E677 R681 R682 L683 | K486-E679 IonicContact NZ-OE1 3.26Å; K486-E679 PolarHBondContact NZ-OE1 3.44Å; K486-E679 IonicContact NZ-OE2 3.03Å; K486-E679 PolarHBondContact NZ-OE2 2.73Å; Y643-E679 WeakPolarHBondContact CE2-OE1 3.49Å; Y643-E679 VanDerWaalsContact CZ-OE1 3.26Å; Y643-E679 PolarHBondContact OH-OE1 3.37Å; L647-E679 HydrophobicContact CD2-CG 4.43Å; L650-E679 HydrophobicContact CD1-CB 3.94Å; L650-E679 HydrophobicContact CD1-CG 3.76Å; F667-E679 HydrophobicContact CZ-CB 4.43Å; K675-E679 WeakPolarHBondContact O-CB 3.44Å; K675-E679 PolarHBondContact O-N 3.46Å; E677-E679 VanDerWaalsContact C-N 3.33Å; E677-E679 PolarHBondContact O-N 2.93Å; E679-R681 VanDerWaalsContact C-N 3.29Å; E679-R681 PolarHBondContact O-N 3.18Å; E679-R682 PolarHBondContact O-N 3Å; E679-L683 HydrophobicContact CG-CD1 3.98Å; E679-L683 WeakPolarHBondContact O-CB 3.45Å; E679-L683 WeakPolarHBondContact O-CG 3.37Å; E679-L683 PolarHBondContact O-N 3.43Å |
| 680 | N | 78.2 | Confident | 79.3 | Confident | 53 Ų | 53 | 68.1 Ų | 68.1 | 28% | 0.283 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.5 | -37.7 | 177.5 | -75.5 | -15.8 | 0 | 0 | 0 | 111.8 | K486 Q676 K684 | K486-N680 PolarHBondContact NZ-OD1 3.21Å; K486-N680 VanDerWaalsContact NZ-OD1 3.09Å; Q676-N680 VanDerWaalsContact O-CB 3.22Å; Q676-N680 WeakPolarHBondContact O-CB 3.33Å; Q676-N680 PolarHBondContact O-N 2.9Å; Q676-N680 PolarHBondContact O-ND2 2.83Å; N680-K684 WeakPolarHBondContact O-CB 3.45Å; N680-K684 WeakPolarHBondContact O-CG 3.37Å; N680-K684 PolarHBondContact O-N 2.98Å |
| 681 | R | 80.9 | Confident | 79.5 | Confident | 104 Ų | 104 | 69.8 Ų | 69.8 | 39% | 0.392 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65 | -47 | 175.4 | -172.8 | 176.6 | -6.5 | 162.8 | -0.7 | 111.2 | E677 Y678 E679 K684 N685 | E677-R681 WeakPolarHBondContact O-CB 3.35Å; E677-R681 PolarHBondContact O-N 2.92Å; E677-R681 IonicContact OE1-CZ 3.35Å; E677-R681 IonicContact OE1-NH2 3Å; E677-R681 PolarHBondContact OE1-NH2 3.25Å; Y678-R681 PolarHBondContact O-N 3.03Å; E679-R681 VanDerWaalsContact C-N 3.29Å; E679-R681 PolarHBondContact O-N 3.18Å; R681-K684 PolarHBondContact O-N 3.18Å; R681-N685 WeakPolarHBondContact O-CB 3.17Å; R681-N685 PolarHBondContact O-N 3.42Å; R681-N685 PolarHBondContact O-OD1 3.48Å |
| 682 | R | 88 | Confident | 79.9 | Confident | 79 Ų | 79 | 69.8 Ų | 69.8 | 30% | 0.298 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 177.8 | -171.6 | 64.5 | 66.1 | 92.3 | 4.5 | 111.8 | I646 L650 E653 Y678 E679 N685 Y686 | I646-R682 HydrophobicContact CG2-CB 4.19Å; I646-R682 HydrophobicContact CG2-CG 3.61Å; L650-R682 HydrophobicContact CD1-CB 4.39Å; L650-R682 HydrophobicContact CD2-CB 4.21Å; L650-R682 HydrophobicContact CD2-CG 4.26Å; E653-R682 IonicContact OE1-CZ 3.17Å; E653-R682 IonicContact OE1-NH1 3.19Å; E653-R682 PolarHBondContact OE1-NH1 2.99Å; E653-R682 IonicContact OE1-NH2 2.73Å; E653-R682 PolarHBondContact OE1-NH2 3.07Å; E653-R682 IonicContact OE2-CZ 3.19Å; E653-R682 IonicContact OE2-NH1 2.67Å; E653-R682 IonicContact OE2-NH2 3.64Å; E653-R682 PolarHBondContact OE2-NH2 2.89Å; Y678-R682 WeakPolarHBondContact O-CB 3.35Å; Y678-R682 PolarHBondContact O-N 3.28Å; E679-R682 PolarHBondContact O-N 3Å; R682-N685 PolarHBondContact O-N 2.91Å; R682-Y686 WeakPolarHBondContact O-CB 3.39Å; R682-Y686 PolarHBondContact O-N 3.07Å |
| 683 | L | 83.5 | Confident | 80.4 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 177.1 | -78.9 | 161.5 | 0 | 0 | 0 | 113 | L494 L636 Y643 I646 E679 N685 Y686 C687 | L494-L683 HydrophobicContact CD2-CD1 3.88Å; L636-L683 HydrophobicContact CD1-CB 4.1Å; L636-L683 HydrophobicContact CD1-CD1 4.4Å; Y643-L683 HydrophobicContact CD2-CD1 3.74Å; Y643-L683 HydrophobicContact CD2-CD2 3.83Å; Y643-L683 HydrophobicContact CD2-CG 4.41Å; Y643-L683 HydrophobicContact CE2-CD1 3.74Å; I646-L683 HydrophobicContact CD1-CD2 3.61Å; I646-L683 HydrophobicContact CD1-CG 4.42Å; I646-L683 HydrophobicContact CG2-CD2 4.39Å; I646-L683 HydrophobicContact CG2-CG 4.31Å; E679-L683 HydrophobicContact CG-CD1 3.98Å; E679-L683 WeakPolarHBondContact O-CB 3.45Å; E679-L683 WeakPolarHBondContact O-CG 3.37Å; E679-L683 PolarHBondContact O-N 3.43Å; L683-N685 VanDerWaalsContact C-N 3.33Å; L683-N685 PolarHBondContact O-N 2.85Å; L683-Y686 PolarHBondContact O-N 3.29Å; L683-C687 WeakPolarHBondContact O-CB 3.45Å; L683-C687 PolarHBondContact O-N 3.14Å; L683-C687 PolarHBondContact O-SG 3.4Å |
| 684 | K | 83.5 | Confident | 81.2 | Confident | 84 Ų | 84 | 60.7 Ų | 60.7 | 37% | 0.365 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 175.9 | -80.4 | -178.7 | 178.4 | -178.4 | 0 | 111.7 | N680 R681 C687 R688 | N680-K684 WeakPolarHBondContact O-CB 3.45Å; N680-K684 WeakPolarHBondContact O-CG 3.37Å; N680-K684 PolarHBondContact O-N 2.98Å; R681-K684 PolarHBondContact O-N 3.18Å; K684-C687 PolarHBondContact O-N 2.92Å; K684-R688 WeakPolarHBondContact O-CB 3.1Å; K684-R688 WeakPolarHBondContact O-CD 3.43Å; K684-R688 PolarHBondContact O-N 3.24Å |
| 685 | N | 83.4 | Confident | 81.5 | Confident | 76 Ų | 76 | 62.3 Ų | 62.3 | 41% | 0.406 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.3 | -43.5 | 177 | -70.7 | -1.5 | 0 | 0 | 0 | 111.2 | R681 R682 L683 C687 R688 K689 | R681-N685 WeakPolarHBondContact O-CB 3.17Å; R681-N685 PolarHBondContact O-N 3.42Å; R681-N685 PolarHBondContact O-OD1 3.48Å; R682-N685 PolarHBondContact O-N 2.91Å; L683-N685 VanDerWaalsContact C-N 3.33Å; L683-N685 PolarHBondContact O-N 2.85Å; N685-C687 VanDerWaalsContact C-N 3.32Å; N685-C687 PolarHBondContact O-N 3.1Å; N685-R688 PolarHBondContact O-N 3.4Å; N685-K689 WeakPolarHBondContact O-CB 3.44Å; N685-K689 WeakPolarHBondContact O-CG 3.47Å; N685-K689 PolarHBondContact O-N 3.06Å |
| 686 | Y | 88.2 | Confident | 81.9 | Confident | 76 Ų | 76 | 62.4 Ų | 62.4 | 30% | 0.298 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.7 | -44.7 | 171.9 | 178.1 | -97.8 | 0 | 0 | 0 | 111 | A638 E642 I646 R682 L683 K689 A690 Y691 | A638-Y686 HydrophobicContact CB-CD1 3.99Å; A638-Y686 HydrophobicContact CB-CE1 3.96Å; E642-Y686 HydrophobicContact CB-CE1 3.97Å; E642-Y686 VanDerWaalsContact CD-OH 3.25Å; E642-Y686 HydrophobicContact CG-CE1 4.29Å; E642-Y686 WeakPolarHBondContact CG-OH 3.49Å; E642-Y686 PolarHBondContact OE1-OH 3.2Å; I646-Y686 HydrophobicContact CD1-CD1 3.7Å; I646-Y686 HydrophobicContact CD1-CD2 4.02Å; I646-Y686 HydrophobicContact CD1-CE1 4.36Å; I646-Y686 HydrophobicContact CD1-CG 3.51Å; R682-Y686 WeakPolarHBondContact O-CB 3.39Å; R682-Y686 PolarHBondContact O-N 3.07Å; L683-Y686 PolarHBondContact O-N 3.29Å; Y686-K689 PolarHBondContact O-N 2.72Å; Y686-A690 HydrophobicContact CD1-CB 4.32Å; Y686-A690 HydrophobicContact CE1-CB 3.94Å; Y686-A690 HydrophobicContact CE2-CB 4.22Å; Y686-A690 VanDerWaalsContact O-CB 3.27Å; Y686-A690 WeakPolarHBondContact O-CB 3.19Å; Y686-A690 PolarHBondContact O-N 3.4Å; Y686-Y691 AromaticContact CE1-CE2 3.99Å; Y686-Y691 HydrophobicContact CE1-CE2 3.99Å |
| 687 | C | 83.5 | Confident | 82.7 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.3 | -39.1 | -178.2 | -68.6 | 0 | 0 | 0 | 0 | 113 | L636 L683 K684 N685 K689 Y691 G692 R693 | L636-C687 HydrophobicContact CD2-CB 4.01Å; L636-C687 WeakPolarHBondContact CD2-SG 3.32Å; L683-C687 WeakPolarHBondContact O-CB 3.45Å; L683-C687 PolarHBondContact O-N 3.14Å; L683-C687 PolarHBondContact O-SG 3.4Å; K684-C687 PolarHBondContact O-N 2.92Å; N685-C687 VanDerWaalsContact C-N 3.32Å; N685-C687 PolarHBondContact O-N 3.1Å; C687-K689 VanDerWaalsContact C-N 3.34Å; C687-Y691 HydrophobicContact CB-CD2 4.37Å; C687-Y691 CarbonylContact O-C 3.57Å; C687-Y691 VanDerWaalsContact O-CA 3.29Å; C687-Y691 WeakPolarHBondContact O-CA 3.41Å; C687-Y691 WeakPolarHBondContact O-CB 3.39Å; C687-Y691 PolarHBondContact O-N 3.14Å; C687-G692 PolarHBondContact O-N 2.85Å; C687-R693 CarbonylContact C-O 3.53Å; C687-R693 VanDerWaalsContact C-O 3.26Å; C687-R693 VanDerWaalsContact O-O 3.12Å |
| 688 | R | 81.1 | Confident | 83.2 | Confident | 83 Ų | 83 | 62.8 Ų | 62.8 | 31% | 0.313 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.1 | -44.7 | 169.9 | -92.5 | 142.1 | 164.4 | -130.6 | 15 | 111.6 | K684 N685 G692 E1992 | K684-R688 WeakPolarHBondContact O-CB 3.1Å; K684-R688 WeakPolarHBondContact O-CD 3.43Å; K684-R688 PolarHBondContact O-N 3.24Å; N685-R688 PolarHBondContact O-N 3.4Å; R688-G692 WeakPolarHBondContact O-CA 3.42Å; R688-G692 PolarHBondContact O-N 3.32Å; R688-E1992 VanDerWaalsContact CB-OE1 3.28Å; R688-E1992 WeakPolarHBondContact CB-OE1 3.42Å; R688-E1992 WeakPolarHBondContact CD-OE1 3.43Å; R688-E1992 WeakPolarHBondContact CG-OE1 3.22Å; R688-E1992 IonicContact CZ-OE1 3.88Å; R688-E1992 IonicContact NE-OE1 3.23Å; R688-E1992 PolarHBondContact NE-OE1 2.97Å; R688-E1992 IonicContact NH1-OE1 3.46Å; R688-E1992 PolarHBondContact NH1-OE1 3.3Å |
| 689 | K | 83.2 | Confident | 83.4 | Confident | 188 Ų | 188 | 64.3 Ų | 64.3 | 82% | 0.817 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -70.6 | -47.2 | 179.8 | -71.6 | -174.4 | 178.2 | -166.1 | 0 | 113.3 | N685 Y686 C687 | N685-K689 WeakPolarHBondContact O-CB 3.44Å; N685-K689 WeakPolarHBondContact O-CG 3.47Å; N685-K689 PolarHBondContact O-N 3.06Å; Y686-K689 PolarHBondContact O-N 2.72Å; C687-K689 VanDerWaalsContact C-N 3.34Å |
| 690 | A | 82.4 | Confident | 83.8 | Confident | 41 Ų | 41 | 65.7 Ų | 65.7 | 34% | 0.339 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -83.1 | -28.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y686 | Y686-A690 HydrophobicContact CD1-CB 4.32Å; Y686-A690 HydrophobicContact CE1-CB 3.94Å; Y686-A690 HydrophobicContact CE2-CB 4.22Å; Y686-A690 VanDerWaalsContact O-CB 3.27Å; Y686-A690 WeakPolarHBondContact O-CB 3.19Å; Y686-A690 PolarHBondContact O-N 3.4Å |
| 691 | Y | 81.6 | Confident | 84.5 | Confident | 44 Ų | 44 | 68.7 Ų | 68.7 | 17% | 0.173 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -130.6 | 6.3 | -173.9 | -52.8 | -91 | 0 | 0 | 0 | 114.5 | P637 A638 E642 Y686 C687 R693 L1375 | P637-Y691 HydrophobicContact CB-CD1 3.65Å; P637-Y691 HydrophobicContact CB-CD2 3.48Å; P637-Y691 VanDerWaalsContact CB-CD2 3.48Å; P637-Y691 HydrophobicContact CB-CE1 4.05Å; P637-Y691 HydrophobicContact CB-CE2 3.87Å; P637-Y691 HydrophobicContact CB-CG 3.33Å; P637-Y691 HydrophobicContact CG-CD2 4.39Å; P637-Y691 HydrophobicContact CG-CG 4.2Å; P637-Y691 PolarHBondContact O-OH 2.76Å; A638-Y691 HydrophobicContact CB-CE2 4.21Å; E642-Y691 PolarHBondContact OE1-OH 3.09Å; E642-Y691 PolarHBondContact OE2-OH 2.91Å; Y686-Y691 AromaticContact CE1-CE2 3.99Å; Y686-Y691 HydrophobicContact CE1-CE2 3.99Å; C687-Y691 HydrophobicContact CB-CD2 4.37Å; C687-Y691 CarbonylContact O-C 3.57Å; C687-Y691 VanDerWaalsContact O-CA 3.29Å; C687-Y691 WeakPolarHBondContact O-CA 3.41Å; C687-Y691 WeakPolarHBondContact O-CB 3.39Å; C687-Y691 PolarHBondContact O-N 3.14Å; Y691-R693 WeakPolarHBondContact O-CG 3.2Å; Y691-R693 PolarHBondContact O-N 3.46Å; Y691-L1375 WeakPolarHBondContact O-CD1 3.21Å; Y691-L1375 VanDerWaalsContact O-CD2 3.31Å; Y691-L1375 WeakPolarHBondContact O-CD2 3.3Å |
| 692 | G | 80.1 | Confident | 85 | Confident | 49 Ų | 49 | 67.1 Ų | 67.1 | 51% | 0.505 | 32% | 0.32 | S | S | . | . | S | Bend | trans | 60.5 | 11.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | C687 R688 | C687-G692 PolarHBondContact O-N 2.85Å; R688-G692 WeakPolarHBondContact O-CA 3.42Å; R688-G692 PolarHBondContact O-N 3.32Å |
| 693 | R | 78.7 | Confident | 85.3 | Confident | 53 Ų | 53 | 69.8 Ų | 69.8 | 20% | 0.2 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -151.9 | 141.4 | 178.3 | 63.9 | -160.2 | -174.9 | -115.6 | 3.1 | 109.4 | P637 C687 Y691 D696 K1373 | P637-R693 HydrophobicContact CG-CG 4Å; C687-R693 CarbonylContact C-O 3.53Å; C687-R693 VanDerWaalsContact C-O 3.26Å; C687-R693 VanDerWaalsContact O-O 3.12Å; Y691-R693 WeakPolarHBondContact O-CG 3.2Å; Y691-R693 PolarHBondContact O-N 3.46Å; R693-D696 VanDerWaalsContact CD-OD1 3.27Å; R693-D696 WeakPolarHBondContact CD-OD1 3.32Å; R693-D696 IonicContact CZ-OD1 3.27Å; R693-D696 IonicContact CZ-OD2 2.71Å; R693-D696 IonicContact NE-OD1 3.81Å; R693-D696 PolarHBondContact NE-OD1 2.91Å; R693-D696 IonicContact NE-OD2 3.14Å; R693-D696 PolarHBondContact NE-OD2 3.07Å; R693-D696 IonicContact NH2-OD1 3.95Å; R693-D696 IonicContact NH2-OD2 3.31Å; R693-D696 PolarHBondContact NH2-OD2 3.49Å; R693-K1373 VanDerWaalsContact NH1-CE 3.29Å |
| 694 | S | 82.2 | Confident | 85.8 | Confident | 26 Ų | 26 | 70.6 Ų | 70.6 | 18% | 0.182 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -79.2 | -20.3 | -178 | 50.2 | 0 | 0 | 0 | 0 | 113.8 | L636 | L636-S694 WeakPolarHBondContact CD2-O 3.19Š|
| 695 | H | 83.5 | Confident | 86.3 | Confident | 53 Ų | 53 | 67.6 Ų | 67.6 | 25% | 0.245 | 33% | 0.328 | C | S | . | . | trans | -160.2 | 163 | 179.9 | 56.4 | -109.8 | 0 | 0 | 0 | 110.6 | M496 E634 I635 Y697 | M496-H695 HydrophobicContact SD-CB 4.19Å; E634-H695 HydrophobicContact CG-CB 3.62Å; E634-H695 IonicContact OE1-CD2 3.7Å; E634-H695 IonicContact OE1-CE1 3.44Å; E634-H695 IonicContact OE1-CG 3.67Å; E634-H695 VanDerWaalsContact OE1-CG 3.27Å; E634-H695 IonicContact OE1-ND1 2.75Å; E634-H695 PolarHBondContact OE1-ND1 3.07Å; I635-H695 CarbonylContact O-C 3.12Å; I635-H695 VanDerWaalsContact O-CA 3.24Å; I635-H695 WeakPolarHBondContact O-CA 3.33Å; H695-Y697 AromaticContact CD2-CE2 3.7Å; H695-Y697 AromaticContact CD2-CZ 3.94Å; H695-Y697 AromaticContact NE2-CE2 3.53Å; H695-Y697 AromaticContact NE2-CZ 3.75Å | ||
| 696 | D | 85.5 | Confident | 87 | Confident | 42 Ų | 42 | 64 Ų | 64 | 23% | 0.225 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 145.8 | 170 | -83.5 | -41.1 | 0 | 0 | 0 | 110.9 | E634 I635 R693 | E634-D696 CarbonylContact C-O 3.5Å; E634-D696 VanDerWaalsContact CA-O 3.3Å; E634-D696 WeakPolarHBondContact CA-O 3.42Å; I635-D696 HydrophobicContact CD1-CB 4.38Å; I635-D696 HydrophobicContact CG1-CB 3.82Å; I635-D696 PolarHBondContact N-O 2.99Å; I635-D696 PolarHBondContact O-N 3.35Å; R693-D696 VanDerWaalsContact CD-OD1 3.27Å; R693-D696 WeakPolarHBondContact CD-OD1 3.32Å; R693-D696 IonicContact CZ-OD1 3.27Å; R693-D696 IonicContact CZ-OD2 2.71Å; R693-D696 IonicContact NE-OD1 3.81Å; R693-D696 PolarHBondContact NE-OD1 2.91Å; R693-D696 IonicContact NE-OD2 3.14Å; R693-D696 PolarHBondContact NE-OD2 3.07Å; R693-D696 IonicContact NH2-OD1 3.95Å; R693-D696 IonicContact NH2-OD2 3.31Å; R693-D696 PolarHBondContact NH2-OD2 3.49Å |
| 697 | Y | 87.2 | Confident | 87.3 | Confident | 124 Ų | 124 | 61 Ų | 61 | 49% | 0.486 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 123.4 | 168.8 | -66.3 | -74 | 0 | 0 | 0 | 110.2 | G633 E634 H695 | G633-Y697 WeakPolarHBondContact O-CA 3.43Å; E634-Y697 HydrophobicContact CB-CD1 4.19Å; E634-Y697 HydrophobicContact CB-CE1 3.92Å; E634-Y697 HydrophobicContact CG-CE1 4Å; H695-Y697 AromaticContact CD2-CE2 3.7Å; H695-Y697 AromaticContact CD2-CZ 3.94Å; H695-Y697 AromaticContact NE2-CE2 3.53Å; H695-Y697 AromaticContact NE2-CZ 3.75Å |
| 698 | R | 86.4 | Confident | 87.9 | Confident | 77 Ų | 77 | 61 Ų | 61 | 29% | 0.291 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 133.8 | 177.2 | -173.6 | 173 | 175.9 | 168 | -6.5 | 109.4 | D491 W631 R632 G633 I635 E700 | D491-R698 IonicContact OD1-NH1 3.04Å; D491-R698 IonicContact OD2-CZ 3.9Å; D491-R698 IonicContact OD2-NH1 3.73Å; D491-R698 PolarHBondContact OD2-NH1 2.68Å; D491-R698 IonicContact OD2-NH2 3.87Å; W631-R698 HydrophobicContact CZ3-CB 3.98Å; W631-R698 HydrophobicContact CZ3-CG 4.09Å; R632-R698 CarbonylContact C-O 3.57Å; R632-R698 WeakPolarHBondContact CA-O 3.17Å; G633-R698 PolarHBondContact N-O 3.28Å; G633-R698 PolarHBondContact O-N 3.35Å; I635-R698 HydrophobicContact CD1-CB 4.29Å; R698-E700 HydrophobicContact CG-CG 4.07Å; R698-E700 IonicContact CZ-OE1 3.5Å; R698-E700 IonicContact NE-OE1 3.4Å; R698-E700 PolarHBondContact NE-OE1 2.85Å; R698-E700 IonicContact NH2-OE1 3.25Å; R698-E700 PolarHBondContact NH2-OE1 3.44Å |
| 699 | T | 89.1 | Confident | 88.4 | Confident | 82 Ų | 82 | 58.6 Ų | 58.6 | 50% | 0.503 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 130.5 | 176.6 | -54 | 0 | 0 | 0 | 0 | 108.9 | V501 V630 W631 | V501-T699 HydrophobicContact CG2-CG2 3.66Å; V630-T699 HydrophobicContact CG1-CG2 3.28Å; W631-T699 CarbonylContact O-C 3.6Å; W631-T699 WeakPolarHBondContact O-CA 3.27Å; W631-T699 WeakPolarHBondContact O-CG2 3.28Å |
| 700 | E | 90 | Very high | 88.9 | Confident | 45 Ų | 45 | 49.8 Ų | 49.8 | 21% | 0.21 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 137 | -175.1 | -57.8 | -175.6 | 141.1 | 0 | 0 | 110.8 | V630 W631 R698 R702 | V630-E700 CarbonylContact C-O 3.47Å; V630-E700 WeakPolarHBondContact CA-O 3.44Å; W631-E700 HydrophobicContact CE3-CB 4.29Å; W631-E700 HydrophobicContact CE3-CG 4.03Å; W631-E700 HydrophobicContact CZ3-CG 4.31Å; W631-E700 PolarHBondContact N-O 3.45Å; W631-E700 PolarHBondContact O-N 2.98Å; R698-E700 HydrophobicContact CG-CG 4.07Å; R698-E700 IonicContact CZ-OE1 3.5Å; R698-E700 IonicContact NE-OE1 3.4Å; R698-E700 PolarHBondContact NE-OE1 2.85Å; R698-E700 IonicContact NH2-OE1 3.25Å; R698-E700 PolarHBondContact NH2-OE1 3.44Å; E700-R702 HydrophobicContact CB-CG 4.29Å; E700-R702 PolarHBondContact O-N 3.07Å; E700-R702 IonicContact OE2-CZ 2.89Å; E700-R702 IonicContact OE2-NE 3.25Å; E700-R702 PolarHBondContact OE2-NE 3.23Å; E700-R702 VanDerWaalsContact OE2-NE 3.1Å; E700-R702 IonicContact OE2-NH2 2.76Å; E700-R702 PolarHBondContact OE2-NH2 2.96Å |
| 701 | I | 92 | Very high | 89.4 | Confident | 115 Ų | 115 | 50.5 Ų | 50.5 | 59% | 0.59 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 115.9 | 164.5 | -57.8 | 175.7 | 0 | 0 | 0 | 106.8 | E628 W629 V630 | E628-I701 HydrophobicContact CB-CG2 4.19Å; E628-I701 HydrophobicContact CG-CG2 4.19Å; W629-I701 CarbonylContact O-C 3.57Å; W629-I701 WeakPolarHBondContact O-CA 3.4Å; V630-I701 HydrophobicContact CG2-CG1 4.29Å |
| 702 | R | 92.6 | Very high | 89.8 | Confident | 72 Ų | 72 | 49.8 Ų | 49.8 | 27% | 0.272 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 150.3 | 175.8 | -67 | -170.9 | 178.8 | 172.8 | 1.1 | 109.7 | E628 W629 W631 E700 | E628-R702 WeakPolarHBondContact CA-O 3.37Å; W629-R702 HydrophobicContact CD2-CB 4.47Å; W629-R702 HydrophobicContact CZ2-CB 4.1Å; W629-R702 PolarHBondContact N-O 2.92Å; W629-R702 PolarHBondContact O-N 3.44Å; W631-R702 HydrophobicContact CB-CG 4.11Å; W631-R702 VanDerWaalsContact CD2-CZ 3.43Å; W631-R702 VanDerWaalsContact CD2-NH2 3.29Å; W631-R702 VanDerWaalsContact CG-CZ 3.48Å; E700-R702 HydrophobicContact CB-CG 4.29Å; E700-R702 PolarHBondContact O-N 3.07Å; E700-R702 IonicContact OE2-CZ 2.89Å; E700-R702 IonicContact OE2-NE 3.25Å; E700-R702 PolarHBondContact OE2-NE 3.23Å; E700-R702 VanDerWaalsContact OE2-NE 3.1Å; E700-R702 IonicContact OE2-NH2 2.76Å; E700-R702 PolarHBondContact OE2-NH2 2.96Å |
| 703 | K | 93.2 | Very high | 90.4 | Very high | 135 Ų | 135 | 47.5 Ų | 47.5 | 59% | 0.587 | 22% | 0.224 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 134.7 | 173.3 | -69.4 | -179.8 | 177.3 | -173.4 | 0 | 108.9 | M626 M627 E628 | M626-K703 HydrophobicContact CE-CB 3.79Å; M627-K703 WeakPolarHBondContact O-CA 3.41Å; E628-K703 HydrophobicContact CG-CD 4.39Å; E628-K703 HydrophobicContact CG-CG 3.77Å; E628-K703 WeakPolarHBondContact OE1-CE 3.41Å; E628-K703 IonicContact OE1-NZ 2.84Å; E628-K703 PolarHBondContact OE1-NZ 3.16Å |
| 704 | T | 94.2 | Very high | 91.2 | Very high | 18 Ų | 18 | 45 Ų | 45 | 11% | 0.11 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 136.7 | 179.6 | -65.8 | 0 | 0 | 0 | 0 | 109.5 | V605 M627 W629 I706 E790 | V605-T704 HydrophobicContact CB-CG2 4.49Å; V605-T704 HydrophobicContact CG1-CG2 3.58Å; V605-T704 HydrophobicContact CG2-CG2 4.5Å; M627-T704 PolarHBondContact N-O 2.82Å; M627-T704 PolarHBondContact O-N 3.48Å; W629-T704 PolarHBondContact NE1-OG1 3.35Å; T704-I706 HydrophobicContact CG2-CD1 4.13Å; T704-E790 HydrophobicContact CG2-CB 4.01Å; T704-E790 HydrophobicContact CG2-CG 4.24Å |
| 705 | T | 95.1 | Very high | 91.8 | Very high | 21 Ų | 21 | 43.7 Ų | 43.7 | 13% | 0.129 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 123.7 | 177.2 | -44.6 | 0 | 0 | 0 | 0 | 110 | V606 Q624 M626 | V606-T705 HydrophobicContact CG2-CG2 3.97Å; V606-T705 PolarHBondContact N-O 3.43Å; Q624-T705 HydrophobicContact CB-CG2 3.82Å; Q624-T705 HydrophobicContact CG-CG2 4.25Å; M626-T705 HydrophobicContact SD-CG2 4.17Å; M626-T705 PolarHBondContact SD-OG1 2.87Å |
| 706 | I | 96.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 114.4 | 174.4 | -52.1 | -57.7 | 0 | 0 | 0 | 109 | L600 A604 V605 K625 M627 T704 Q708 I794 | L600-I706 HydrophobicContact CD2-CD1 4.06Å; L600-I706 HydrophobicContact CD2-CG1 3.87Å; L600-I706 HydrophobicContact CD2-CG2 4.06Å; A604-I706 HydrophobicContact CB-CG2 3.98Å; A604-I706 CarbonylContact O-C 3.54Å; A604-I706 WeakPolarHBondContact O-CA 3.28Å; V605-I706 HydrophobicContact CG2-CD1 3.82Å; K625-I706 PolarHBondContact N-O 3.26Å; K625-I706 PolarHBondContact O-N 2.94Å; M627-I706 HydrophobicContact CB-CG1 4.43Å; M627-I706 HydrophobicContact CG-CG1 4.21Å; M627-I706 HydrophobicContact SD-CG1 4.22Å; T704-I706 HydrophobicContact CG2-CD1 4.13Å; I706-Q708 PolarHBondContact O-N 3.35Å; I706-Q708 VanDerWaalsContact O-N 3.16Å; I706-I794 HydrophobicContact CD1-CD1 3.69Å; I706-I794 HydrophobicContact CG1-CD1 4.07Å |
| 707 | C | 95.4 | Very high | 92.6 | Very high | 12 Ų | 12 | 41.7 Ų | 41.7 | 8% | 0.081 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 107.9 | 174.8 | -177.1 | 0 | 0 | 0 | 0 | 110.4 | A604 V606 R709 E710 | A604-C707 PolarHBondContact O-N 3.43Å; V606-C707 HydrophobicContact CG1-CB 4.03Å; V606-C707 HydrophobicContact CG2-CB 4.02Å; C707-R709 PolarHBondContact O-N 2.73Å; C707-E710 HydrophobicContact CB-CB 4.28Å; C707-E710 WeakPolarHBondContact O-CB 3.43Å; C707-E710 PolarHBondContact O-N 3.38Å |
| 708 | Q | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 2.5 | 177.6 | -61.2 | -60.1 | -56.7 | 0 | 0 | 113.4 | N598 R599 C623 K625 I706 N846 V848 H850 | N598-Q708 PolarHBondContact O-NE2 2.71Å; R599-Q708 VanDerWaalsContact NH1-C 3.34Å; R599-Q708 PolarHBondContact NH1-O 3.34Å; C623-Q708 WeakPolarHBondContact O-CB 2.99Å; C623-Q708 WeakPolarHBondContact O-CG 3.35Å; C623-Q708 PolarHBondContact O-N 3.31Å; K625-Q708 HydrophobicContact CB-CG 3.75Å; I706-Q708 PolarHBondContact O-N 3.35Å; I706-Q708 VanDerWaalsContact O-N 3.16Å; Q708-N846 PolarHBondContact OE1-ND2 2.9Å; Q708-V848 WeakPolarHBondContact CB-O 3.42Å; Q708-V848 HydrophobicContact CG-CG2 4.11Å; Q708-H850 VanDerWaalsContact O-CB 3.24Å; Q708-H850 WeakPolarHBondContact O-CB 3.32Å; Q708-H850 PolarHBondContact O-N 3.16Å |
| 709 | R | 92.9 | Very high | 93.3 | Very high | 34 Ų | 34 | 34.8 Ų | 34.8 | 13% | 0.128 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -4.7 | 178.2 | -163.1 | 171.5 | -64.7 | -178 | 2.6 | 113.7 | L116 R599 C623 C707 H850 Y860 | L116-R709 HydrophobicContact CD1-CB 4.22Å; L116-R709 HydrophobicContact CD1-CG 4.32Å; L116-R709 WeakPolarHBondContact CD2-O 3.29Å; R599-R709 VanDerWaalsContact NH1-C 3.32Å; R599-R709 VanDerWaalsContact NH1-CA 3.28Å; C623-R709 HydrophobicContact CB-CB 4Å; C707-R709 PolarHBondContact O-N 2.73Å; R709-H850 PolarHBondContact NE-CD2 3.05Å; R709-H850 PolarHBondContact NH2-CD2 3.37Å; R709-H850 VanDerWaalsContact NH2-CD2 3.28Å; R709-H850 PolarHBondContact NH2-NE2 3.04Å; R709-Y860 HydrophobicContact CG-CD1 3.79Å; R709-Y860 HydrophobicContact CG-CD2 4.2Å; R709-Y860 HydrophobicContact CG-CE1 3.4Å; R709-Y860 HydrophobicContact CG-CE2 3.87Å; R709-Y860 HydrophobicContact CG-CG 4.17Å; R709-Y860 VanDerWaalsContact CG-CZ 3.45Å |
| 710 | E | 93.5 | Very high | 93.4 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.009 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -54.3 | 152 | -175.4 | -178.6 | 55.8 | -139.5 | 0 | 0 | 113.8 | H115 R599 Q601 S603 A604 C707 S712 | H115-E710 IonicContact CE1-OE1 3.98Å; H115-E710 PolarHBondContact CE1-OE1 3.33Å; H115-E710 IonicContact CE1-OE2 3.59Å; H115-E710 PolarHBondContact CE1-OE2 3.32Å; H115-E710 IonicContact NE2-OE1 2.94Å; H115-E710 PolarHBondContact NE2-OE1 3.27Å; H115-E710 IonicContact NE2-OE2 3.36Å; H115-E710 PolarHBondContact NE2-OE2 3.49Å; H115-E710 VanDerWaalsContact NE2-OE2 3.17Å; R599-E710 PolarHBondContact NH1-O 3.33Å; R599-E710 PolarHBondContact NH2-O 2.97Å; Q601-E710 HydrophobicContact CG-CG 4.19Å; S603-E710 VanDerWaalsContact CB-OE1 3.27Å; S603-E710 WeakPolarHBondContact CB-OE1 3.31Å; S603-E710 VanDerWaalsContact OG-CG 3.22Å; S603-E710 WeakPolarHBondContact OG-CG 3.28Å; S603-E710 PolarHBondContact OG-OE1 3.3Å; A604-E710 HydrophobicContact CB-CB 3.74Å; A604-E710 HydrophobicContact CB-CG 3.82Å; C707-E710 HydrophobicContact CB-CB 4.28Å; C707-E710 WeakPolarHBondContact O-CB 3.43Å; C707-E710 PolarHBondContact O-N 3.38Å; E710-S712 PolarHBondContact O-N 2.93Å |
| 711 | H | 91.5 | Very high | 93.3 | Very high | 57 Ų | 57 | 30.2 Ų | 30.2 | 26% | 0.264 | 15% | 0.149 | S | C | . | . | trans | -55.4 | 127.2 | 176.2 | -170.2 | -76.6 | 0 | 0 | 0 | 111.4 | L110 Q601 F713 | L110-H711 HydrophobicContact CD1-CB 4.46Å; L110-H711 HydrophobicContact CD2-CB 3.81Å; Q601-H711 VanDerWaalsContact CD-O 3.32Å; Q601-H711 PolarHBondContact NE2-O 2.85Å; Q601-H711 PolarHBondContact OE1-O 2.85Å; H711-F713 AromaticContact ND1-CD1 3.97Å; H711-F713 PolarHBondContact ND1-N 2.87Å; H711-F713 PolarHBondContact O-N 3.14Å | ||
| 712 | S | 91.3 | Very high | 93.3 | Very high | 28 Ų | 28 | 26.1 Ų | 26.1 | 20% | 0.196 | 13% | 0.126 | C | C | . | . | trans | -87.6 | 4.5 | -164.9 | 44.8 | 0 | 0 | 0 | 0 | 116.9 | E710 Y714 V715 D716 | E710-S712 PolarHBondContact O-N 2.93Å; S712-Y714 PolarHBondContact O-N 2.81Å; S712-V715 WeakPolarHBondContact O-CG2 3.5Å; S712-V715 PolarHBondContact O-N 3.04Å; S712-D716 WeakPolarHBondContact CB-OD1 3.45Å; S712-D716 WeakPolarHBondContact CB-OD2 3.47Å; S712-D716 WeakPolarHBondContact O-CB 3.41Å; S712-D716 PolarHBondContact O-N 3.11Å; S712-D716 PolarHBondContact OG-OD2 2.84Å | ||
| 713 | F | 93.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 0% | 0.004 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -47.9 | -40.9 | -173.2 | 89.7 | -77.5 | 0 | 0 | 0 | 113.9 | L110 L466 A470 H473 I475 H711 T717 W786 | L110-F713 HydrophobicContact CD1-CD1 3.95Å; L110-F713 HydrophobicContact CD1-CE1 3.62Å; L466-F713 HydrophobicContact CD2-CE2 4.4Å; A470-F713 HydrophobicContact CB-CD2 4.2Å; A470-F713 HydrophobicContact CB-CE2 3.92Å; H473-F713 HydrophobicContact CB-CB 4.45Å; I475-F713 HydrophobicContact CD1-CB 3.74Å; I475-F713 HydrophobicContact CD1-CD1 3.47Å; I475-F713 VanDerWaalsContact CD1-CD1 3.47Å; I475-F713 HydrophobicContact CD1-CD2 4.13Å; I475-F713 HydrophobicContact CD1-CE1 4.13Å; I475-F713 HydrophobicContact CD1-CG 3.47Å; I475-F713 VanDerWaalsContact CD1-CG 3.47Å; H711-F713 AromaticContact ND1-CD1 3.97Å; H711-F713 PolarHBondContact ND1-N 2.87Å; H711-F713 PolarHBondContact O-N 3.14Å; F713-T717 WeakPolarHBondContact O-CB 3.35Å; F713-T717 PolarHBondContact O-N 3.45Å; F713-T717 PolarHBondContact O-OG1 2.82Å; F713-W786 HydrophobicContact CE2-CZ2 4.34Å; F713-W786 AromaticContact CZ-CE2 3.89Å; F713-W786 HydrophobicContact CZ-CZ2 4.26Å; F713-W786 AromaticContact CZ-NE1 3.57Å |
| 714 | Y | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -70.6 | -48 | -177.8 | -175.4 | -78.5 | 0 | 0 | 0 | 111.5 | L466 Q601 S712 D716 T717 I718 F775 V779 M791 | L466-Y714 HydrophobicContact CD1-CD2 4.08Å; L466-Y714 HydrophobicContact CD1-CE2 3.57Å; L466-Y714 HydrophobicContact CD2-CD2 3.52Å; L466-Y714 HydrophobicContact CD2-CE2 3.77Å; L466-Y714 HydrophobicContact CD2-CG 4.3Å; L466-Y714 HydrophobicContact CG-CD2 4.46Å; L466-Y714 HydrophobicContact CG-CE2 4.34Å; Q601-Y714 HydrophobicContact CB-CD1 3.72Å; Q601-Y714 HydrophobicContact CB-CG 3.9Å; S712-Y714 PolarHBondContact O-N 2.81Å; Y714-D716 VanDerWaalsContact C-N 3.34Å; Y714-T717 WeakPolarHBondContact O-CB 2.87Å; Y714-T717 PolarHBondContact O-N 2.92Å; Y714-I718 HydrophobicContact CD1-CD1 3.88Å; Y714-I718 HydrophobicContact CE1-CD1 3.35Å; Y714-I718 HydrophobicContact CE1-CG1 4.37Å; Y714-I718 PolarHBondContact O-N 3.04Å; Y714-F775 HydrophobicContact CE1-CD1 4.36Å; Y714-F775 HydrophobicContact CE2-CD1 4.35Å; Y714-F775 AromaticContact CZ-CD1 3.86Å; Y714-F775 PolarHBondContact OH-O 3.41Å; Y714-V779 HydrophobicContact CE2-CG1 4.24Å; Y714-V779 VanDerWaalsContact OH-CG1 3.24Å; Y714-V779 WeakPolarHBondContact OH-CG1 3.33Å; Y714-M791 HydrophobicContact CE1-CE 3.67Å |
| 715 | V | 93.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -68 | -34.7 | 176.7 | -67.1 | 0 | 0 | 0 | 0 | 111.9 | I595 L596 R599 Q601 S712 T717 I718 R719 | I595-V715 HydrophobicContact CG2-CG1 4.25Å; L596-V715 HydrophobicContact CD2-CB 4.26Å; L596-V715 WeakPolarHBondContact CD2-O 3.43Å; R599-V715 HydrophobicContact CG-CG1 4.27Å; R599-V715 HydrophobicContact CG-CG2 4.14Å; Q601-V715 HydrophobicContact CB-CG1 4.35Å; S712-V715 WeakPolarHBondContact O-CG2 3.5Å; S712-V715 PolarHBondContact O-N 3.04Å; V715-T717 VanDerWaalsContact C-N 3.35Å; V715-I718 PolarHBondContact O-N 3.17Å; V715-R719 WeakPolarHBondContact O-CB 2.98Å; V715-R719 PolarHBondContact O-N 3.06Å |
| 716 | D | 93.2 | Very high | 92.3 | Very high | 50 Ų | 50 | 25.8 Ų | 25.8 | 27% | 0.267 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -67.9 | -37.7 | 177 | -63.8 | -18.8 | 0 | 0 | 0 | 110.9 | S712 Y714 R719 A720 | S712-D716 WeakPolarHBondContact CB-OD1 3.45Å; S712-D716 WeakPolarHBondContact CB-OD2 3.47Å; S712-D716 WeakPolarHBondContact O-CB 3.41Å; S712-D716 PolarHBondContact O-N 3.11Å; S712-D716 PolarHBondContact OG-OD2 2.84Å; Y714-D716 VanDerWaalsContact C-N 3.34Å; D716-R719 PolarHBondContact O-N 3.39Å; D716-R719 IonicContact OD1-CZ 3.97Å; D716-R719 IonicContact OD1-NH1 2.69Å; D716-R719 PolarHBondContact OD1-NH1 2.85Å; D716-A720 WeakPolarHBondContact O-CB 3.37Å; D716-A720 PolarHBondContact O-N 2.9Å |
| 717 | T | 94.2 | Very high | 91.9 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.012 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.3 | -49.4 | 171.3 | -59.5 | 0 | 0 | 0 | 0 | 110.9 | L465 L466 E469 F713 Y714 V715 R719 A720 F721 F775 | L465-T717 HydrophobicContact CD2-CG2 4.06Å; L465-T717 HydrophobicContact CG-CG2 4.17Å; L466-T717 HydrophobicContact CD2-CG2 4.35Å; E469-T717 HydrophobicContact CB-CG2 4.48Å; E469-T717 WeakPolarHBondContact CB-OG1 3.38Å; E469-T717 HydrophobicContact CG-CG2 3.82Å; E469-T717 WeakPolarHBondContact CG-OG1 3.25Å; F713-T717 WeakPolarHBondContact O-CB 3.35Å; F713-T717 PolarHBondContact O-N 3.45Å; F713-T717 PolarHBondContact O-OG1 2.82Å; Y714-T717 WeakPolarHBondContact O-CB 2.87Å; Y714-T717 PolarHBondContact O-N 2.92Å; V715-T717 VanDerWaalsContact C-N 3.35Å; T717-R719 VanDerWaalsContact C-N 3.34Å; T717-R719 PolarHBondContact O-N 3.03Å; T717-A720 PolarHBondContact O-N 3.39Å; T717-F721 HydrophobicContact CG2-CD2 4.23Å; T717-F721 HydrophobicContact CG2-CE2 4.4Å; T717-F721 WeakPolarHBondContact O-CB 3.15Å; T717-F721 VanDerWaalsContact O-CD2 3.3Å; T717-F721 WeakPolarHBondContact O-CD2 3.48Å; T717-F721 PolarHBondContact O-N 3.35Å; T717-F775 HydrophobicContact CG2-CE1 4.23Å; T717-F775 HydrophobicContact CG2-CZ 4.01Å |
| 718 | I | 93.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.8 | -43 | 178.9 | -68.1 | 173.6 | 0 | 0 | 0 | 111 | P592 I595 L596 Y714 V715 F721 R722 L772 F775 | P592-I718 HydrophobicContact CB-CG2 3.95Å; I595-I718 HydrophobicContact CB-CD1 4.41Å; I595-I718 HydrophobicContact CD1-CD1 4.08Å; I595-I718 HydrophobicContact CG2-CD1 3.57Å; L596-I718 HydrophobicContact CD1-CG2 4.24Å; L596-I718 HydrophobicContact CD2-CB 4.19Å; L596-I718 HydrophobicContact CD2-CG2 4.06Å; L596-I718 HydrophobicContact CG-CG2 4.03Å; Y714-I718 HydrophobicContact CD1-CD1 3.88Å; Y714-I718 HydrophobicContact CE1-CD1 3.35Å; Y714-I718 HydrophobicContact CE1-CG1 4.37Å; Y714-I718 PolarHBondContact O-N 3.04Å; V715-I718 PolarHBondContact O-N 3.17Å; I718-F721 PolarHBondContact O-N 3.37Å; I718-R722 WeakPolarHBondContact O-CB 3.4Å; I718-R722 PolarHBondContact O-N 3.42Å; I718-L772 HydrophobicContact CG2-CD2 4.29Å; I718-F775 HydrophobicContact CD1-CB 4Å; I718-F775 HydrophobicContact CD1-CD1 3.77Å; I718-F775 HydrophobicContact CD1-CD2 4.33Å; I718-F775 HydrophobicContact CD1-CE1 4.31Å; I718-F775 HydrophobicContact CD1-CG 3.78Å; I718-F775 HydrophobicContact CG1-CB 4.46Å; I718-F775 HydrophobicContact CG1-CD1 3.63Å; I718-F775 HydrophobicContact CG1-CD2 3.88Å; I718-F775 HydrophobicContact CG1-CE1 3.68Å; I718-F775 HydrophobicContact CG1-CE2 3.93Å; I718-F775 HydrophobicContact CG1-CG 3.73Å; I718-F775 HydrophobicContact CG1-CZ 3.83Å |
| 719 | R | 93.4 | Very high | 91.1 | Very high | 55 Ų | 55 | 35.4 Ų | 35.4 | 21% | 0.208 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.9 | -53.1 | 178.3 | -170.7 | 178.4 | -62 | 101.2 | 3 | 110.3 | L596 V715 D716 T717 F721 R722 D723 Y849 | L596-R719 HydrophobicContact CD1-CB 4.33Å; L596-R719 HydrophobicContact CD2-CB 3.78Å; V715-R719 WeakPolarHBondContact O-CB 2.98Å; V715-R719 PolarHBondContact O-N 3.06Å; D716-R719 PolarHBondContact O-N 3.39Å; D716-R719 IonicContact OD1-CZ 3.97Å; D716-R719 IonicContact OD1-NH1 2.69Å; D716-R719 PolarHBondContact OD1-NH1 2.85Å; T717-R719 VanDerWaalsContact C-N 3.34Å; T717-R719 PolarHBondContact O-N 3.03Å; R719-F721 VanDerWaalsContact C-N 3.28Å; R719-F721 PolarHBondContact O-N 3.46Å; R719-R722 PolarHBondContact O-N 3.47Å; R719-D723 WeakPolarHBondContact CG-OD2 3.14Å; R719-D723 WeakPolarHBondContact O-CB 3.35Å; R719-D723 PolarHBondContact O-N 3.4Å; R719-Y849 PolarHBondContact NH2-OH 3.4Å |
| 720 | A | 90.8 | Very high | 90.8 | Very high | 32 Ų | 32 | 37.7 Ų | 37.7 | 26% | 0.264 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -57.2 | -41.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D716 T717 R724 | D716-A720 WeakPolarHBondContact O-CB 3.37Å; D716-A720 PolarHBondContact O-N 2.9Å; T717-A720 PolarHBondContact O-N 3.39Å; A720-R724 WeakPolarHBondContact O-CB 3.45Å; A720-R724 VanDerWaalsContact O-CG 3.25Å; A720-R724 WeakPolarHBondContact O-CG 3.2Å; A720-R724 PolarHBondContact O-N 3.44Å |
| 721 | F | 89.5 | Confident | 90.6 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69 | -41.3 | 178.2 | -94.1 | -110.8 | 0 | 0 | 0 | 113.6 | I445 L465 T717 I718 R719 D723 R725 H768 I771 L772 | I445-F721 HydrophobicContact CD1-CE1 4.39Å; I445-F721 HydrophobicContact CG2-CE1 3.43Å; I445-F721 VanDerWaalsContact CG2-CE1 3.43Å; I445-F721 HydrophobicContact CG2-CZ 3.25Å; L465-F721 HydrophobicContact CD1-CE1 4.41Å; L465-F721 HydrophobicContact CD1-CE2 3.54Å; L465-F721 HydrophobicContact CD1-CZ 3.34Å; L465-F721 HydrophobicContact CD2-CD1 4.08Å; L465-F721 HydrophobicContact CD2-CD2 4.08Å; L465-F721 HydrophobicContact CD2-CE1 3.48Å; L465-F721 VanDerWaalsContact CD2-CE1 3.48Å; L465-F721 HydrophobicContact CD2-CE2 3.51Å; L465-F721 HydrophobicContact CD2-CG 4.33Å; L465-F721 HydrophobicContact CD2-CZ 3.15Å; L465-F721 HydrophobicContact CG-CE2 4.08Å; L465-F721 HydrophobicContact CG-CZ 3.84Å; T717-F721 HydrophobicContact CG2-CD2 4.23Å; T717-F721 HydrophobicContact CG2-CE2 4.4Å; T717-F721 WeakPolarHBondContact O-CB 3.15Å; T717-F721 VanDerWaalsContact O-CD2 3.3Å; T717-F721 WeakPolarHBondContact O-CD2 3.48Å; T717-F721 PolarHBondContact O-N 3.35Å; I718-F721 PolarHBondContact O-N 3.37Å; R719-F721 VanDerWaalsContact C-N 3.28Å; R719-F721 PolarHBondContact O-N 3.46Å; F721-D723 VanDerWaalsContact C-N 3.32Å; F721-R725 WeakPolarHBondContact O-CB 3.36Å; F721-R725 PolarHBondContact O-N 3.01Å; F721-H768 AromaticContact CD1-CD2 3.59Å; F721-H768 AromaticContact CE1-CD2 3.96Å; F721-I771 HydrophobicContact CD1-CB 4.47Å; F721-I771 HydrophobicContact CD1-CG2 4.33Å; F721-I771 HydrophobicContact CE1-CB 4.41Å; F721-I771 HydrophobicContact CE1-CG2 4.2Å; F721-L772 HydrophobicContact CB-CD2 3.78Å; F721-L772 HydrophobicContact CB-CG 4.07Å |
| 722 | R | 90 | Very high | 90.5 | Very high | 29 Ų | 29 | 39 Ų | 39 | 11% | 0.109 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.7 | -45.9 | 176.1 | -178.2 | -160.4 | 66.5 | -176.7 | -2.4 | 109.9 | N593 L596 I718 R719 R725 Y726 L772 | N593-R722 VanDerWaalsContact OD1-CD 3.25Å; N593-R722 WeakPolarHBondContact OD1-CD 3.46Å; N593-R722 PolarHBondContact OD1-NH1 2.91Å; L596-R722 VanDerWaalsContact CD1-NH1 3.25Å; I718-R722 WeakPolarHBondContact O-CB 3.4Å; I718-R722 PolarHBondContact O-N 3.42Å; R719-R722 PolarHBondContact O-N 3.47Å; R722-R725 WeakPolarHBondContact O-CB 3.33Å; R722-R725 PolarHBondContact O-N 2.87Å; R722-Y726 HydrophobicContact CG-CD2 4.32Å; R722-Y726 HydrophobicContact CG-CE2 3.67Å; R722-Y726 PolarHBondContact O-N 3.48Å; R722-Y726 VanDerWaalsContact O-N 3.09Å; R722-L772 HydrophobicContact CB-CD1 4.43Å; R722-L772 HydrophobicContact CB-CD2 4.15Å |
| 723 | D | 90.2 | Very high | 90.3 | Very high | 53 Ų | 53 | 44.2 Ų | 44.2 | 28% | 0.283 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -71.4 | -44.8 | -174.6 | -61.8 | -10.9 | 0 | 0 | 0 | 110.6 | R719 F721 R725 Y726 E727 | R719-D723 WeakPolarHBondContact CG-OD2 3.14Å; R719-D723 WeakPolarHBondContact O-CB 3.35Å; R719-D723 PolarHBondContact O-N 3.4Å; F721-D723 VanDerWaalsContact C-N 3.32Å; D723-R725 VanDerWaalsContact C-N 3.26Å; D723-R725 PolarHBondContact O-N 2.88Å; D723-Y726 WeakPolarHBondContact O-CA 3.44Å; D723-Y726 WeakPolarHBondContact O-CB 3.49Å; D723-Y726 PolarHBondContact O-N 2.9Å; D723-E727 PolarHBondContact O-N 3.24Å |
| 724 | R | 88.3 | Confident | 90 | Very high | 92 Ų | 92 | 51.1 Ų | 51.1 | 35% | 0.347 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -56.7 | -39 | 170.4 | -74.3 | -179.4 | -147.8 | 161.8 | 6.6 | 112.5 | A720 Y726 E727 Y728 | A720-R724 WeakPolarHBondContact O-CB 3.45Å; A720-R724 VanDerWaalsContact O-CG 3.25Å; A720-R724 WeakPolarHBondContact O-CG 3.2Å; A720-R724 PolarHBondContact O-N 3.44Å; R724-Y726 VanDerWaalsContact C-N 3.29Å; R724-Y726 PolarHBondContact O-N 3.48Å; R724-E727 WeakPolarHBondContact O-CB 3.46Å; R724-E727 PolarHBondContact O-N 3.07Å; R724-Y728 HydrophobicContact CB-CE2 4.13Å; R724-Y728 WeakPolarHBondContact O-CD2 3.38Å; R724-Y728 PolarHBondContact O-N 2.85Å |
| 725 | R | 90.1 | Very high | 89.6 | Confident | 24 Ų | 24 | 51.2 Ų | 51.2 | 9% | 0.091 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.9 | -40.5 | 174.3 | 177.2 | -179 | 167.3 | -116.1 | 4.9 | 111.5 | F721 R722 D723 Y728 K729 Q765 H768 L772 | F721-R725 WeakPolarHBondContact O-CB 3.36Å; F721-R725 PolarHBondContact O-N 3.01Å; R722-R725 WeakPolarHBondContact O-CB 3.33Å; R722-R725 PolarHBondContact O-N 2.87Å; D723-R725 VanDerWaalsContact C-N 3.26Å; D723-R725 PolarHBondContact O-N 2.88Å; R725-Y728 PolarHBondContact O-N 3.37Å; R725-K729 WeakPolarHBondContact O-CG 3.48Å; R725-K729 PolarHBondContact O-N 3Å; R725-Q765 HydrophobicContact CG-CB 4.26Å; R725-H768 HydrophobicContact CB-CB 3.83Å; R725-H768 HydrophobicContact CG-CB 4.33Å; R725-L772 HydrophobicContact CB-CD1 4.09Å |
| 726 | Y | 85.8 | Confident | 89.3 | Confident | 69 Ų | 69 | 55.5 Ų | 55.5 | 27% | 0.271 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.8 | -40.7 | 176.6 | -63.5 | -25.7 | 0 | 0 | 0 | 111.8 | R722 D723 R724 Y728 K729 C730 | R722-Y726 HydrophobicContact CG-CD2 4.32Å; R722-Y726 HydrophobicContact CG-CE2 3.67Å; R722-Y726 PolarHBondContact O-N 3.48Å; R722-Y726 VanDerWaalsContact O-N 3.09Å; D723-Y726 WeakPolarHBondContact O-CA 3.44Å; D723-Y726 WeakPolarHBondContact O-CB 3.49Å; D723-Y726 PolarHBondContact O-N 2.9Å; R724-Y726 VanDerWaalsContact C-N 3.29Å; R724-Y726 PolarHBondContact O-N 3.48Å; Y726-Y728 PolarHBondContact O-N 3.18Å; Y726-K729 HydrophobicContact CD1-CD 4.42Å; Y726-K729 WeakPolarHBondContact O-CB 3.36Å; Y726-K729 PolarHBondContact O-N 2.88Å; Y726-C730 PolarHBondContact O-N 3.39Å; Y726-C730 PolarHBondContact O-SG 3.11Å; Y726-C730 VanDerWaalsContact O-SG 3.41Å |
| 727 | E | 88.1 | Confident | 88.9 | Confident | 111 Ų | 111 | 62 Ų | 62 | 52% | 0.519 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -56.4 | -49.9 | 171.6 | -68.4 | 172 | -174 | 0 | 0 | 111.4 | D723 R724 K729 C730 L731 | D723-E727 PolarHBondContact O-N 3.24Å; R724-E727 WeakPolarHBondContact O-CB 3.46Å; R724-E727 PolarHBondContact O-N 3.07Å; E727-K729 VanDerWaalsContact C-N 3.34Å; E727-K729 PolarHBondContact O-N 3.41Å; E727-C730 WeakPolarHBondContact O-CB 3.26Å; E727-C730 PolarHBondContact O-N 2.73Å; E727-C730 VanDerWaalsContact O-N 3.09Å; E727-L731 WeakPolarHBondContact O-CG 3.37Å; E727-L731 PolarHBondContact O-N 3.08Å |
| 728 | Y | 89.6 | Confident | 88.6 | Confident | 44 Ų | 44 | 64.4 Ų | 64.4 | 17% | 0.173 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.4 | -35.7 | 178 | -65.7 | -46.3 | 0 | 0 | 0 | 113 | R724 R725 Y726 C730 L731 Q732 F761 L764 H768 | R724-Y728 HydrophobicContact CB-CE2 4.13Å; R724-Y728 WeakPolarHBondContact O-CD2 3.38Å; R724-Y728 PolarHBondContact O-N 2.85Å; R725-Y728 PolarHBondContact O-N 3.37Å; Y726-Y728 PolarHBondContact O-N 3.18Å; Y728-C730 VanDerWaalsContact C-N 3.34Å; Y728-L731 HydrophobicContact CD1-CD1 4.19Å; Y728-L731 PolarHBondContact O-N 3.31Å; Y728-Q732 WeakPolarHBondContact O-CB 3.32Å; Y728-Q732 PolarHBondContact O-N 3.15Å; Y728-F761 AromaticContact CD1-CD1 3.99Å; Y728-F761 HydrophobicContact CD1-CD1 3.99Å; Y728-L764 HydrophobicContact CD1-CB 4.1Å; Y728-L764 HydrophobicContact CD1-CD1 4.05Å; Y728-L764 HydrophobicContact CD2-CB 3.84Å; Y728-L764 HydrophobicContact CE1-CB 4.33Å; Y728-L764 HydrophobicContact CE1-CD1 3.79Å; Y728-L764 HydrophobicContact CE2-CB 4.09Å; Y728-L764 HydrophobicContact CG-CB 3.86Å; Y728-H768 AromaticContact CD2-CE1 3.99Å; Y728-H768 AromaticContact CD2-ND1 3.94Å; Y728-H768 AromaticContact CE2-CE1 3.36Å; Y728-H768 WeakPolarHBondContact CE2-CE1 3.37Å; Y728-H768 AromaticContact CE2-ND1 3.78Å; Y728-H768 AromaticContact CE2-NE2 3.83Å |
| 729 | K | 85.5 | Confident | 88.4 | Confident | 60 Ų | 60 | 66 Ų | 66 | 26% | 0.261 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.4 | -42.2 | 170.8 | -81.6 | -175.4 | 170.4 | -168.8 | 0 | 111.8 | R725 Y726 E727 Q732 K733 Q765 | R725-K729 WeakPolarHBondContact O-CG 3.48Å; R725-K729 PolarHBondContact O-N 3Å; Y726-K729 HydrophobicContact CD1-CD 4.42Å; Y726-K729 WeakPolarHBondContact O-CB 3.36Å; Y726-K729 PolarHBondContact O-N 2.88Å; E727-K729 VanDerWaalsContact C-N 3.34Å; E727-K729 PolarHBondContact O-N 3.41Å; K729-Q732 PolarHBondContact O-N 2.83Å; K729-K733 WeakPolarHBondContact O-CG 3.13Å; K729-K733 PolarHBondContact O-N 3.17Å; K729-Q765 HydrophobicContact CG-CB 4.22Å; K729-Q765 HydrophobicContact CG-CG 4.17Å |
| 730 | C | 86.5 | Confident | 88 | Confident | 82 Ų | 82 | 69.5 Ų | 69.5 | 55% | 0.554 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -67.2 | -42.8 | 177.3 | -72 | 0 | 0 | 0 | 0 | 111.7 | Y726 E727 Y728 Q732 K733 K734 | Y726-C730 PolarHBondContact O-N 3.39Å; Y726-C730 PolarHBondContact O-SG 3.11Å; Y726-C730 VanDerWaalsContact O-SG 3.41Å; E727-C730 WeakPolarHBondContact O-CB 3.26Å; E727-C730 PolarHBondContact O-N 2.73Å; E727-C730 VanDerWaalsContact O-N 3.09Å; Y728-C730 VanDerWaalsContact C-N 3.34Å; C730-Q732 VanDerWaalsContact C-N 3.34Å; C730-Q732 PolarHBondContact O-N 3.03Å; C730-K733 WeakPolarHBondContact O-CB 3.37Å; C730-K733 PolarHBondContact O-N 2.86Å; C730-K734 PolarHBondContact O-N 3.02Å |
| 731 | L | 88.8 | Confident | 87.8 | Confident | 66 Ų | 66 | 69.5 Ų | 69.5 | 35% | 0.346 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 175 | -70.5 | 171.4 | 0 | 0 | 0 | 112 | E727 Y728 K734 A735 F761 | E727-L731 WeakPolarHBondContact O-CG 3.37Å; E727-L731 PolarHBondContact O-N 3.08Å; Y728-L731 HydrophobicContact CD1-CD1 4.19Å; Y728-L731 PolarHBondContact O-N 3.31Å; L731-K734 PolarHBondContact O-N 3.05Å; L731-A735 WeakPolarHBondContact O-CB 3.33Å; L731-A735 PolarHBondContact O-N 3.35Å; L731-F761 HydrophobicContact CB-CB 4.4Å; L731-F761 HydrophobicContact CB-CD1 3.86Å; L731-F761 HydrophobicContact CB-CD2 3.76Å; L731-F761 HydrophobicContact CB-CE1 4.02Å; L731-F761 HydrophobicContact CB-CE2 3.91Å; L731-F761 HydrophobicContact CB-CG 3.74Å; L731-F761 HydrophobicContact CB-CZ 4.04Å; L731-F761 HydrophobicContact CD1-CD1 4.08Å; L731-F761 HydrophobicContact CD1-CE1 3.71Å; L731-F761 HydrophobicContact CD1-CZ 4.1Å; L731-F761 HydrophobicContact CG-CE1 4.42Å; L731-F761 HydrophobicContact CG-CZ 4.47Å |
| 732 | Q | 89.8 | Confident | 87.6 | Confident | 21 Ų | 21 | 69.6 Ų | 69.6 | 10% | 0.098 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.1 | -45.3 | 172.3 | -170.6 | -160.8 | 12.1 | 0 | 0 | 111 | Y728 K729 C730 K734 A735 K736 F761 E762 | Y728-Q732 WeakPolarHBondContact O-CB 3.32Å; Y728-Q732 PolarHBondContact O-N 3.15Å; K729-Q732 PolarHBondContact O-N 2.83Å; C730-Q732 VanDerWaalsContact C-N 3.34Å; C730-Q732 PolarHBondContact O-N 3.03Å; Q732-K734 PolarHBondContact O-N 2.91Å; Q732-A735 PolarHBondContact O-N 3.25Å; Q732-K736 WeakPolarHBondContact O-CG 3.46Å; Q732-K736 PolarHBondContact O-N 3Å; Q732-F761 HydrophobicContact CB-CB 3.92Å; Q732-E762 HydrophobicContact CG-CB 4.31Å; Q732-E762 PolarHBondContact NE2-OE2 3.27Å |
| 733 | K | 86.1 | Confident | 87.3 | Confident | 136 Ų | 136 | 72 Ų | 72 | 59% | 0.591 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60.9 | -42.7 | 175.5 | -72.9 | 178.4 | -179.8 | -178 | 0 | 111.8 | K729 C730 K736 R737 | K729-K733 WeakPolarHBondContact O-CG 3.13Å; K729-K733 PolarHBondContact O-N 3.17Å; C730-K733 WeakPolarHBondContact O-CB 3.37Å; C730-K733 PolarHBondContact O-N 2.86Å; K733-K736 PolarHBondContact O-N 3.48Å; K733-R737 PolarHBondContact O-N 2.92Å; K733-R737 VanDerWaalsContact O-N 3.16Å |
| 734 | K | 86.7 | Confident | 87 | Confident | 146 Ų | 146 | 73.6 Ų | 73.6 | 64% | 0.635 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.9 | -44.2 | 176.1 | -172.8 | 178.5 | 179.1 | 179.8 | 0 | 111.5 | C730 L731 Q732 K736 R737 E738 | C730-K734 PolarHBondContact O-N 3.02Å; L731-K734 PolarHBondContact O-N 3.05Å; Q732-K734 PolarHBondContact O-N 2.91Å; K734-K736 VanDerWaalsContact C-N 3.35Å; K734-K736 PolarHBondContact O-N 2.66Å; K734-R737 PolarHBondContact O-N 3.43Å; K734-E738 PolarHBondContact O-N 3.03Å |
| 735 | A | 86.5 | Confident | 86.9 | Confident | 2 Ų | 2 | 75.1 Ų | 75.1 | 2% | 0.017 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.4 | -35.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L731 Q732 E738 L739 K757 V758 F761 | L731-A735 WeakPolarHBondContact O-CB 3.33Å; L731-A735 PolarHBondContact O-N 3.35Å; Q732-A735 PolarHBondContact O-N 3.25Å; A735-E738 PolarHBondContact O-N 3.01Å; A735-L739 WeakPolarHBondContact O-CB 3.47Å; A735-L739 PolarHBondContact O-N 3.27Å; A735-K757 HydrophobicContact CB-CB 4Å; A735-V758 VanDerWaalsContact C-CG2 3.48Å; A735-V758 HydrophobicContact CB-CG2 3.63Å; A735-F761 HydrophobicContact CB-CD2 4.15Å |
| 736 | K | 87.7 | Confident | 86.4 | Confident | 91 Ų | 91 | 77 Ų | 77 | 40% | 0.396 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 173.1 | -76 | -176.4 | 178.8 | -173 | 0 | 112.1 | Q732 K733 K734 L739 E740 V758 | Q732-K736 WeakPolarHBondContact O-CG 3.46Å; Q732-K736 PolarHBondContact O-N 3Å; K733-K736 PolarHBondContact O-N 3.48Å; K734-K736 VanDerWaalsContact C-N 3.35Å; K734-K736 PolarHBondContact O-N 2.66Å; K736-L739 WeakPolarHBondContact O-CB 3.39Å; K736-L739 PolarHBondContact O-N 3.11Å; K736-E740 WeakPolarHBondContact O-CG 3.39Å; K736-E740 PolarHBondContact O-N 3.14Å; K736-V758 HydrophobicContact CG-CG1 4.04Å; K736-V758 HydrophobicContact CG-CG2 3.94Å |
| 737 | R | 86 | Confident | 86.4 | Confident | 186 Ų | 186 | 77.1 Ų | 77.1 | 70% | 0.702 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -64.4 | -39.9 | 174.1 | -67.7 | 177.8 | -176.5 | 172.6 | -0.5 | 112.4 | K733 K734 L739 E740 G741 | K733-R737 PolarHBondContact O-N 2.92Å; K733-R737 VanDerWaalsContact O-N 3.16Å; K734-R737 PolarHBondContact O-N 3.43Å; R737-L739 VanDerWaalsContact C-N 3.31Å; R737-E740 PolarHBondContact O-N 3.06Å; R737-G741 PolarHBondContact O-N 3.05Å |
| 738 | E | 87.8 | Confident | 85.9 | Confident | 53 Ų | 53 | 79.8 Ų | 79.8 | 25% | 0.248 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62 | -40.3 | 174.4 | -172.3 | -179.2 | 175.1 | 0 | 0 | 111.1 | K734 A735 A742 A754 K757 | K734-E738 PolarHBondContact O-N 3.03Å; A735-E738 PolarHBondContact O-N 3.01Å; E738-A742 VanDerWaalsContact O-CB 3.25Å; E738-A742 WeakPolarHBondContact O-CB 3.32Å; E738-A742 PolarHBondContact O-N 3.46Å; E738-A754 HydrophobicContact CB-CB 4.46Å; E738-A754 HydrophobicContact CG-CB 4.19Å; E738-K757 IonicContact OE1-NZ 2.84Å; E738-K757 PolarHBondContact OE1-NZ 2.81Å; E738-K757 VanDerWaalsContact OE1-NZ 3.14Å; E738-K757 IonicContact OE2-NZ 3.99Å; E738-K757 PolarHBondContact OE2-NZ 2.99Å |
| 739 | L | 88.4 | Confident | 85.3 | Confident | 33 Ų | 33 | 83.9 Ų | 83.9 | 17% | 0.173 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -66.4 | -45.9 | 175.8 | 176.9 | 59.2 | 0 | 0 | 0 | 112.3 | A735 K736 R737 G741 A742 T743 V751 A754 R755 V758 | A735-L739 WeakPolarHBondContact O-CB 3.47Å; A735-L739 PolarHBondContact O-N 3.27Å; K736-L739 WeakPolarHBondContact O-CB 3.39Å; K736-L739 PolarHBondContact O-N 3.11Å; R737-L739 VanDerWaalsContact C-N 3.31Å; L739-G741 VanDerWaalsContact C-N 3.34Å; L739-G741 PolarHBondContact O-N 2.93Å; L739-A742 PolarHBondContact O-N 3.33Å; L739-T743 VanDerWaalsContact O-CB 3.29Å; L739-T743 WeakPolarHBondContact O-CB 3.44Å; L739-T743 PolarHBondContact O-N 3.35Å; L739-T743 PolarHBondContact O-OG1 3.17Å; L739-V751 HydrophobicContact CD1-CB 4.48Å; L739-V751 HydrophobicContact CD1-CG1 3.94Å; L739-A754 HydrophobicContact CB-CB 3.88Å; L739-A754 HydrophobicContact CD1-CB 4.18Å; L739-R755 HydrophobicContact CD1-CG 3.5Å; L739-R755 HydrophobicContact CD2-CG 3.72Å; L739-R755 HydrophobicContact CG-CG 4.27Å; L739-V758 HydrophobicContact CD2-CG2 4.42Å |
| 740 | E | 86 | Confident | 85 | Confident | 130 Ų | 130 | 87 Ų | 87 | 61% | 0.607 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -57.9 | -47.2 | 175.8 | -74.2 | 165 | -170.4 | 0 | 0 | 110.8 | K736 R737 T743 A744 | K736-E740 WeakPolarHBondContact O-CG 3.39Å; K736-E740 PolarHBondContact O-N 3.14Å; R737-E740 PolarHBondContact O-N 3.06Å; E740-T743 PolarHBondContact O-N 3Å; E740-A744 WeakPolarHBondContact O-CB 3.47Å; E740-A744 PolarHBondContact O-N 3.09Å |
| 741 | G | 85.4 | Confident | 84.7 | Confident | 32 Ų | 32 | 84 Ų | 84 | 33% | 0.33 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65 | -42.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R737 L739 T743 A744 N745 | R737-G741 PolarHBondContact O-N 3.05Å; L739-G741 VanDerWaalsContact C-N 3.34Å; L739-G741 PolarHBondContact O-N 2.93Å; G741-T743 VanDerWaalsContact C-N 3.35Å; G741-A744 PolarHBondContact O-N 2.83Å; G741-N745 WeakPolarHBondContact O-CB 3.33Å; G741-N745 PolarHBondContact O-N 3.48Å; G741-N745 PolarHBondContact O-ND2 3.24Å |
| 742 | A | 85.3 | Confident | 84.1 | Confident | 2 Ų | 2 | 86.9 Ų | 86.9 | 2% | 0.017 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -65.9 | -37.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | E738 L739 N745 G746 D747 R750 V751 | E738-A742 VanDerWaalsContact O-CB 3.25Å; E738-A742 WeakPolarHBondContact O-CB 3.32Å; E738-A742 PolarHBondContact O-N 3.46Å; L739-A742 PolarHBondContact O-N 3.33Å; A742-N745 PolarHBondContact O-N 3.02Å; A742-G746 PolarHBondContact O-N 3.33Å; A742-G746 VanDerWaalsContact O-N 3.1Å; A742-D747 PolarHBondContact O-N 3.2Å; A742-R750 HydrophobicContact CB-CB 4.08Å; A742-R750 HydrophobicContact CB-CG 3.93Å; A742-V751 VanDerWaalsContact C-CG2 3.49Å; A742-V751 HydrophobicContact CB-CG2 3.78Å |
| 743 | T | 84.2 | Confident | 83.6 | Confident | 78 Ų | 78 | 91.1 Ų | 91.1 | 48% | 0.479 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.5 | -41.3 | 177 | -53.2 | 0 | 0 | 0 | 0 | 110.8 | L739 E740 G741 N745 G746 | L739-T743 VanDerWaalsContact O-CB 3.29Å; L739-T743 WeakPolarHBondContact O-CB 3.44Å; L739-T743 PolarHBondContact O-N 3.35Å; L739-T743 PolarHBondContact O-OG1 3.17Å; E740-T743 PolarHBondContact O-N 3Å; G741-T743 VanDerWaalsContact C-N 3.35Å; T743-N745 VanDerWaalsContact C-N 3.28Å; T743-N745 PolarHBondContact O-N 2.9Å; T743-G746 PolarHBondContact O-N 3.21Å |
| 744 | A | 85.2 | Confident | 83.4 | Confident | 87 Ų | 87 | 84.7 Ų | 84.7 | 72% | 0.719 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -63.7 | -33.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E740 G741 | E740-A744 WeakPolarHBondContact O-CB 3.47Å; E740-A744 PolarHBondContact O-N 3.09Å; G741-A744 PolarHBondContact O-N 2.83Å |
| 745 | N | 84.9 | Confident | 83.1 | Confident | 125 Ų | 125 | 84.7 Ų | 84.7 | 67% | 0.668 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -83.5 | -8.9 | 178.4 | -67.4 | -15.5 | 0 | 0 | 0 | 114.1 | G741 A742 T743 D747 | G741-N745 WeakPolarHBondContact O-CB 3.33Å; G741-N745 PolarHBondContact O-N 3.48Å; G741-N745 PolarHBondContact O-ND2 3.24Å; A742-N745 PolarHBondContact O-N 3.02Å; T743-N745 VanDerWaalsContact C-N 3.28Å; T743-N745 PolarHBondContact O-N 2.9Å; N745-D747 VanDerWaalsContact C-N 3.27Å; N745-D747 PolarHBondContact O-N 2.87Å |
| 746 | G | 81.1 | Confident | 82.8 | Confident | 64 Ų | 64 | 88.1 Ų | 88.1 | 66% | 0.66 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 16.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | A742 T743 F748 | A742-G746 PolarHBondContact O-N 3.33Å; A742-G746 VanDerWaalsContact O-N 3.1Å; T743-G746 PolarHBondContact O-N 3.21Å; G746-F748 PolarHBondContact O-N 3.38Å |
| 747 | D | 84 | Confident | 82.6 | Confident | 70 Ų | 70 | 87.2 Ų | 87.2 | 37% | 0.374 | 45% | 0.447 | S | S | . | . | trans | -82 | 96 | -179.4 | -178.6 | -13.6 | 0 | 0 | 0 | 110.6 | A742 N745 E749 R750 V751 | A742-D747 PolarHBondContact O-N 3.2Å; N745-D747 VanDerWaalsContact C-N 3.27Å; N745-D747 PolarHBondContact O-N 2.87Å; D747-E749 PolarHBondContact O-N 3.28Å; D747-E749 PolarHBondContact OD1-N 2.56Å; D747-R750 HydrophobicContact CB-CB 3.97Å; D747-R750 PolarHBondContact O-N 2.92Å; D747-R750 WeakPolarHBondContact OD1-CB 3.49Å; D747-R750 PolarHBondContact OD1-N 2.87Å; D747-R750 VanDerWaalsContact OD1-N 3.15Å; D747-R750 VanDerWaalsContact OD2-CB 3.25Å; D747-R750 WeakPolarHBondContact OD2-CB 3.06Å; D747-V751 WeakPolarHBondContact O-CB 3.5Å; D747-V751 VanDerWaalsContact O-CG2 3.24Å; D747-V751 WeakPolarHBondContact O-CG2 2.94Å; D747-V751 PolarHBondContact O-N 3.31Å | ||
| 748 | F | 78.4 | Confident | 82.6 | Confident | 168 Ų | 168 | 79.1 Ų | 79.1 | 74% | 0.737 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -61.8 | -41.7 | -170.9 | -159 | -89.3 | 0 | 0 | 0 | 113.5 | G746 V751 K752 | G746-F748 PolarHBondContact O-N 3.38Å; F748-V751 PolarHBondContact O-N 3.43Å; F748-K752 PolarHBondContact O-N 3.25Å |
| 749 | E | 77.4 | Confident | 82.5 | Confident | 130 Ų | 130 | 80.6 Ų | 80.6 | 61% | 0.607 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.8 | -47.2 | 177 | -83.2 | -65.5 | 144.2 | 0 | 0 | 110.6 | D747 V751 K752 M753 | D747-E749 PolarHBondContact O-N 3.28Å; D747-E749 PolarHBondContact OD1-N 2.56Å; E749-V751 VanDerWaalsContact C-N 3.33Å; E749-V751 PolarHBondContact O-N 3.14Å; E749-K752 PolarHBondContact O-N 2.92Å; E749-M753 WeakPolarHBondContact O-CG 3.41Å; E749-M753 PolarHBondContact O-N 3.09Å |
| 750 | R | 79.6 | Confident | 82.3 | Confident | 124 Ų | 124 | 80.1 Ų | 80.1 | 47% | 0.468 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.9 | -33.9 | 179.4 | -162.4 | 174.9 | -174.4 | 166.5 | 1.1 | 112.4 | A742 D747 A754 | A742-R750 HydrophobicContact CB-CB 4.08Å; A742-R750 HydrophobicContact CB-CG 3.93Å; D747-R750 HydrophobicContact CB-CB 3.97Å; D747-R750 PolarHBondContact O-N 2.92Å; D747-R750 WeakPolarHBondContact OD1-CB 3.49Å; D747-R750 PolarHBondContact OD1-N 2.87Å; D747-R750 VanDerWaalsContact OD1-N 3.15Å; D747-R750 VanDerWaalsContact OD2-CB 3.25Å; D747-R750 WeakPolarHBondContact OD2-CB 3.06Å; R750-A754 WeakPolarHBondContact O-CB 3.08Å; R750-A754 PolarHBondContact O-N 2.68Å |
| 751 | V | 79.4 | Confident | 82.4 | Confident | 19 Ų | 19 | 75.1 Ų | 75.1 | 12% | 0.115 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.9 | -46.9 | 171.4 | 167.5 | 0 | 0 | 0 | 0 | 110.7 | L739 A742 D747 F748 E749 A754 R755 | L739-V751 HydrophobicContact CD1-CB 4.48Å; L739-V751 HydrophobicContact CD1-CG1 3.94Å; A742-V751 VanDerWaalsContact C-CG2 3.49Å; A742-V751 HydrophobicContact CB-CG2 3.78Å; D747-V751 WeakPolarHBondContact O-CB 3.5Å; D747-V751 VanDerWaalsContact O-CG2 3.24Å; D747-V751 WeakPolarHBondContact O-CG2 2.94Å; D747-V751 PolarHBondContact O-N 3.31Å; F748-V751 PolarHBondContact O-N 3.43Å; E749-V751 VanDerWaalsContact C-N 3.33Å; E749-V751 PolarHBondContact O-N 3.14Å; V751-A754 PolarHBondContact O-N 3.06Å; V751-R755 WeakPolarHBondContact O-CB 3.14Å; V751-R755 WeakPolarHBondContact O-CG 3.49Å; V751-R755 PolarHBondContact O-N 3.11Å |
| 752 | K | 76.1 | Confident | 82.6 | Confident | 127 Ų | 127 | 77.1 Ų | 77.1 | 55% | 0.552 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -60.7 | -47.8 | 178.1 | -171.8 | 179.9 | 178.3 | -176.8 | 0 | 111.1 | F748 E749 R755 S756 | F748-K752 PolarHBondContact O-N 3.25Å; E749-K752 PolarHBondContact O-N 2.92Å; K752-R755 PolarHBondContact O-N 3.36Å; K752-S756 PolarHBondContact O-N 3.5Å; K752-S756 VanDerWaalsContact O-N 3.08Å |
| 753 | M | 78.5 | Confident | 82.6 | Confident | 111 Ų | 111 | 77.3 Ų | 77.3 | 55% | 0.547 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 176.7 | -70.2 | -175.3 | 78.3 | 0 | 0 | 112.4 | E749 S756 K757 | E749-M753 WeakPolarHBondContact O-CG 3.41Å; E749-M753 PolarHBondContact O-N 3.09Å; M753-S756 PolarHBondContact O-N 3.03Å; M753-K757 WeakPolarHBondContact O-CG 3.47Å; M753-K757 PolarHBondContact O-N 3.29Å |
| 754 | A | 83 | Confident | 82.9 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.8 | -41.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E738 L739 R750 V751 S756 K757 V758 | E738-A754 HydrophobicContact CB-CB 4.46Å; E738-A754 HydrophobicContact CG-CB 4.19Å; L739-A754 HydrophobicContact CB-CB 3.88Å; L739-A754 HydrophobicContact CD1-CB 4.18Å; R750-A754 WeakPolarHBondContact O-CB 3.08Å; R750-A754 PolarHBondContact O-N 2.68Å; V751-A754 PolarHBondContact O-N 3.06Å; A754-S756 PolarHBondContact O-N 2.87Å; A754-K757 PolarHBondContact O-N 3.36Å; A754-V758 WeakPolarHBondContact O-CG2 3.28Å; A754-V758 PolarHBondContact O-N 3.02Å |
| 755 | R | 81.2 | Confident | 83.1 | Confident | 146 Ų | 146 | 70.8 Ų | 70.8 | 55% | 0.551 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -58.5 | -46.7 | 173.1 | -78 | -173.9 | -178.6 | 176.8 | 1.7 | 111.8 | L739 V751 K752 K757 V758 I759 | L739-R755 HydrophobicContact CD1-CG 3.5Å; L739-R755 HydrophobicContact CD2-CG 3.72Å; L739-R755 HydrophobicContact CG-CG 4.27Å; V751-R755 WeakPolarHBondContact O-CB 3.14Å; V751-R755 WeakPolarHBondContact O-CG 3.49Å; V751-R755 PolarHBondContact O-N 3.11Å; K752-R755 PolarHBondContact O-N 3.36Å; R755-K757 VanDerWaalsContact C-N 3.35Å; R755-K757 PolarHBondContact O-N 3.38Å; R755-V758 PolarHBondContact O-N 3.29Å; R755-I759 WeakPolarHBondContact O-CG1 3.28Å; R755-I759 PolarHBondContact O-N 3.29Å; R755-I759 VanDerWaalsContact O-N 3.09Å |
| 756 | S | 79.8 | Confident | 83.1 | Confident | 74 Ų | 74 | 67.4 Ų | 67.4 | 52% | 0.517 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.9 | -44 | 178 | -175.6 | 0 | 0 | 0 | 0 | 111.8 | K752 M753 A754 V758 I759 L760 | K752-S756 PolarHBondContact O-N 3.5Å; K752-S756 VanDerWaalsContact O-N 3.08Å; M753-S756 PolarHBondContact O-N 3.03Å; A754-S756 PolarHBondContact O-N 2.87Å; S756-V758 PolarHBondContact O-N 3.4Å; S756-I759 PolarHBondContact O-N 3.34Å; S756-L760 WeakPolarHBondContact O-CB 3.5Å; S756-L760 PolarHBondContact O-N 2.76Å |
| 757 | K | 83.7 | Confident | 83.4 | Confident | 72 Ų | 72 | 64.4 Ų | 64.4 | 31% | 0.313 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.6 | -41.4 | 174 | -72.7 | 176.6 | -174 | 169.6 | 0 | 112.8 | A735 E738 M753 A754 R755 L760 F761 | A735-K757 HydrophobicContact CB-CB 4Å; E738-K757 IonicContact OE1-NZ 2.84Å; E738-K757 PolarHBondContact OE1-NZ 2.81Å; E738-K757 VanDerWaalsContact OE1-NZ 3.14Å; E738-K757 IonicContact OE2-NZ 3.99Å; E738-K757 PolarHBondContact OE2-NZ 2.99Å; M753-K757 WeakPolarHBondContact O-CG 3.47Å; M753-K757 PolarHBondContact O-N 3.29Å; A754-K757 PolarHBondContact O-N 3.36Å; R755-K757 VanDerWaalsContact C-N 3.35Å; R755-K757 PolarHBondContact O-N 3.38Å; K757-L760 PolarHBondContact O-N 2.73Å; K757-F761 HydrophobicContact CB-CD2 4.32Å; K757-F761 HydrophobicContact CB-CE2 4.07Å; K757-F761 HydrophobicContact CG-CE2 4.47Å; K757-F761 WeakPolarHBondContact O-CD2 3.48Å; K757-F761 PolarHBondContact O-N 3.24Å |
| 758 | V | 85.2 | Confident | 83.7 | Confident | 16 Ų | 16 | 61.2 Ų | 61.2 | 10% | 0.097 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.2 | -49.2 | 177.3 | 171.5 | 0 | 0 | 0 | 0 | 110.4 | A735 K736 L739 A754 R755 S756 L760 E762 | A735-V758 VanDerWaalsContact C-CG2 3.48Å; A735-V758 HydrophobicContact CB-CG2 3.63Å; K736-V758 HydrophobicContact CG-CG1 4.04Å; K736-V758 HydrophobicContact CG-CG2 3.94Å; L739-V758 HydrophobicContact CD2-CG2 4.42Å; A754-V758 WeakPolarHBondContact O-CG2 3.28Å; A754-V758 PolarHBondContact O-N 3.02Å; R755-V758 PolarHBondContact O-N 3.29Å; S756-V758 PolarHBondContact O-N 3.4Å; V758-L760 VanDerWaalsContact C-N 3.35Å; V758-L760 PolarHBondContact O-N 3.3Å; V758-E762 WeakPolarHBondContact O-CB 3.38Å; V758-E762 PolarHBondContact O-N 2.82Å |
| 759 | I | 84.8 | Confident | 84.1 | Confident | 84 Ų | 84 | 57.2 Ų | 57.2 | 43% | 0.431 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 178.9 | -64.8 | 168.8 | 0 | 0 | 0 | 110.5 | P437 R755 S756 E762 S763 | P437-I759 HydrophobicContact CB-CG2 4.01Å; P437-I759 HydrophobicContact CG-CG2 3.73Å; R755-I759 WeakPolarHBondContact O-CG1 3.28Å; R755-I759 PolarHBondContact O-N 3.29Å; R755-I759 VanDerWaalsContact O-N 3.09Å; S756-I759 PolarHBondContact O-N 3.34Å; I759-E762 PolarHBondContact O-N 2.81Å; I759-S763 WeakPolarHBondContact O-CB 3.15Å; I759-S763 PolarHBondContact O-N 3.38Å; I759-S763 PolarHBondContact O-OG 3.01Å |
| 760 | L | 84.5 | Confident | 84.5 | Confident | 24 Ų | 24 | 51.5 Ų | 51.5 | 13% | 0.126 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.8 | -54 | 179.2 | 179.3 | 61.9 | 0 | 0 | 0 | 112 | L225 S756 K757 V758 E762 S763 L764 | L225-L760 HydrophobicContact CB-CD2 4.03Å; L225-L760 WeakPolarHBondContact O-CD2 3.39Å; S756-L760 WeakPolarHBondContact O-CB 3.5Å; S756-L760 PolarHBondContact O-N 2.76Å; K757-L760 PolarHBondContact O-N 2.73Å; V758-L760 VanDerWaalsContact C-N 3.35Å; V758-L760 PolarHBondContact O-N 3.3Å; L760-E762 VanDerWaalsContact C-N 3.3Å; L760-E762 PolarHBondContact O-N 2.94Å; L760-S763 PolarHBondContact O-N 3.13Å; L760-S763 PolarHBondContact O-OG 3.39Å; L760-L764 HydrophobicContact CD1-CD1 4.08Å; L760-L764 HydrophobicContact CD1-CG 4.42Å; L760-L764 HydrophobicContact CG-CD1 4.04Å; L760-L764 WeakPolarHBondContact O-CG 3.42Å; L760-L764 PolarHBondContact O-N 3.41Å |
| 761 | F | 89.4 | Confident | 84.9 | Confident | 24 Ų | 24 | 45.6 Ų | 45.6 | 11% | 0.105 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.5 | -31.1 | -178.5 | -64.8 | -49.2 | 0 | 0 | 0 | 112.7 | Y728 L731 Q732 A735 K757 L764 Q765 | Y728-F761 AromaticContact CD1-CD1 3.99Å; Y728-F761 HydrophobicContact CD1-CD1 3.99Å; L731-F761 HydrophobicContact CB-CB 4.4Å; L731-F761 HydrophobicContact CB-CD1 3.86Å; L731-F761 HydrophobicContact CB-CD2 3.76Å; L731-F761 HydrophobicContact CB-CE1 4.02Å; L731-F761 HydrophobicContact CB-CE2 3.91Å; L731-F761 HydrophobicContact CB-CG 3.74Å; L731-F761 HydrophobicContact CB-CZ 4.04Å; L731-F761 HydrophobicContact CD1-CD1 4.08Å; L731-F761 HydrophobicContact CD1-CE1 3.71Å; L731-F761 HydrophobicContact CD1-CZ 4.1Å; L731-F761 HydrophobicContact CG-CE1 4.42Å; L731-F761 HydrophobicContact CG-CZ 4.47Å; Q732-F761 HydrophobicContact CB-CB 3.92Å; A735-F761 HydrophobicContact CB-CD2 4.15Å; K757-F761 HydrophobicContact CB-CD2 4.32Å; K757-F761 HydrophobicContact CB-CE2 4.07Å; K757-F761 HydrophobicContact CG-CE2 4.47Å; K757-F761 WeakPolarHBondContact O-CD2 3.48Å; K757-F761 PolarHBondContact O-N 3.24Å; F761-L764 HydrophobicContact CD1-CD1 4.25Å; F761-Q765 WeakPolarHBondContact O-CG 3.32Å; F761-Q765 PolarHBondContact O-N 2.9Å |
| 762 | E | 88 | Confident | 85.3 | Confident | 74 Ų | 74 | 44.9 Ų | 44.9 | 35% | 0.346 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63 | -49.2 | 170.3 | -176.1 | 156.2 | -164.7 | 0 | 0 | 111.5 | Q732 V758 I759 L760 L764 Q765 I766 | Q732-E762 HydrophobicContact CG-CB 4.31Å; Q732-E762 PolarHBondContact NE2-OE2 3.27Å; V758-E762 WeakPolarHBondContact O-CB 3.38Å; V758-E762 PolarHBondContact O-N 2.82Å; I759-E762 PolarHBondContact O-N 2.81Å; L760-E762 VanDerWaalsContact C-N 3.3Å; L760-E762 PolarHBondContact O-N 2.94Å; E762-L764 VanDerWaalsContact C-N 3.33Å; E762-L764 PolarHBondContact O-N 2.99Å; E762-Q765 WeakPolarHBondContact O-CG 3.49Å; E762-Q765 PolarHBondContact O-N 3.1Å; E762-I766 HydrophobicContact CG-CD1 3.78Å; E762-I766 HydrophobicContact CG-CG1 4.44Å; E762-I766 WeakPolarHBondContact O-CG1 3.35Å; E762-I766 PolarHBondContact O-N 3.12Å |
| 763 | S | 87 | Confident | 85.5 | Confident | 6 Ų | 6 | 42.3 Ų | 42.3 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.2 | -40.9 | 178.7 | 66.7 | 0 | 0 | 0 | 0 | 112.5 | R227 S441 I759 L760 I766 A767 | R227-S763 PolarHBondContact NH2-OG 2.94Å; S441-S763 PolarHBondContact OG-OG 3.37Å; S441-S763 VanDerWaalsContact OG-OG 3.12Å; I759-S763 WeakPolarHBondContact O-CB 3.15Å; I759-S763 PolarHBondContact O-N 3.38Å; I759-S763 PolarHBondContact O-OG 3.01Å; L760-S763 PolarHBondContact O-N 3.13Å; L760-S763 PolarHBondContact O-OG 3.39Å; S763-I766 PolarHBondContact O-N 3.08Å; S763-A767 WeakPolarHBondContact O-CB 3.27Å; S763-A767 PolarHBondContact O-N 2.79Å |
| 764 | L | 88.9 | Confident | 86 | Confident | 9 Ų | 9 | 37.7 Ų | 37.7 | 5% | 0.047 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.9 | -45.5 | 176.8 | -72.9 | 166.5 | 0 | 0 | 0 | 112.5 | S441 Y728 L760 F761 E762 I766 A767 H768 | S441-L764 WeakPolarHBondContact OG-CD2 3.32Å; Y728-L764 HydrophobicContact CD1-CB 4.1Å; Y728-L764 HydrophobicContact CD1-CD1 4.05Å; Y728-L764 HydrophobicContact CD2-CB 3.84Å; Y728-L764 HydrophobicContact CE1-CB 4.33Å; Y728-L764 HydrophobicContact CE1-CD1 3.79Å; Y728-L764 HydrophobicContact CE2-CB 4.09Å; Y728-L764 HydrophobicContact CG-CB 3.86Å; L760-L764 HydrophobicContact CD1-CD1 4.08Å; L760-L764 HydrophobicContact CD1-CG 4.42Å; L760-L764 HydrophobicContact CG-CD1 4.04Å; L760-L764 WeakPolarHBondContact O-CG 3.42Å; L760-L764 PolarHBondContact O-N 3.41Å; F761-L764 HydrophobicContact CD1-CD1 4.25Å; E762-L764 VanDerWaalsContact C-N 3.33Å; E762-L764 PolarHBondContact O-N 2.99Å; L764-I766 PolarHBondContact O-N 3.25Å; L764-A767 PolarHBondContact O-N 3.21Å; L764-H768 PolarHBondContact O-N 2.93Å; L764-H768 PolarHBondContact O-ND1 3.23Å |
| 765 | Q | 90.1 | Very high | 86.4 | Confident | 20 Ų | 20 | 37.8 Ų | 37.8 | 9% | 0.093 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69 | -33.7 | 178.9 | 75.2 | 79 | 22.5 | 0 | 0 | 112.4 | R725 K729 F761 E762 K769 | R725-Q765 HydrophobicContact CG-CB 4.26Å; K729-Q765 HydrophobicContact CG-CB 4.22Å; K729-Q765 HydrophobicContact CG-CG 4.17Å; F761-Q765 WeakPolarHBondContact O-CG 3.32Å; F761-Q765 PolarHBondContact O-N 2.9Å; E762-Q765 WeakPolarHBondContact O-CG 3.49Å; E762-Q765 PolarHBondContact O-N 3.1Å; Q765-K769 WeakPolarHBondContact O-CB 3.1Å; Q765-K769 PolarHBondContact O-N 2.89Å |
| 766 | I | 85.5 | Confident | 86.7 | Confident | 54 Ų | 54 | 33.6 Ų | 33.6 | 28% | 0.277 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -68.5 | -42.7 | 175 | -61.4 | 171.8 | 0 | 0 | 0 | 110.3 | F438 E762 S763 L764 H768 K769 C770 | F438-I766 HydrophobicContact CD2-CB 4.3Å; F438-I766 HydrophobicContact CD2-CG2 3.92Å; F438-I766 HydrophobicContact CE2-CB 4.31Å; F438-I766 HydrophobicContact CE2-CG2 3.65Å; E762-I766 HydrophobicContact CG-CD1 3.78Å; E762-I766 HydrophobicContact CG-CG1 4.44Å; E762-I766 WeakPolarHBondContact O-CG1 3.35Å; E762-I766 PolarHBondContact O-N 3.12Å; S763-I766 PolarHBondContact O-N 3.08Å; L764-I766 PolarHBondContact O-N 3.25Å; I766-H768 VanDerWaalsContact C-N 3.34Å; I766-H768 PolarHBondContact O-N 3.16Å; I766-K769 WeakPolarHBondContact O-CB 3.3Å; I766-K769 PolarHBondContact O-N 2.66Å; I766-K769 VanDerWaalsContact O-N 3.15Å; I766-C770 PolarHBondContact O-N 3.14Å |
| 767 | A | 87.5 | Confident | 87 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.1 | -47 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | F438 L442 I445 S763 L764 K769 C770 I771 | F438-A767 HydrophobicContact CE2-CB 4.33Å; L442-A767 HydrophobicContact CD2-CB 3.83Å; L442-A767 HydrophobicContact CG-CB 4Å; I445-A767 HydrophobicContact CD1-CB 4.24Å; S763-A767 WeakPolarHBondContact O-CB 3.27Å; S763-A767 PolarHBondContact O-N 2.79Å; L764-A767 PolarHBondContact O-N 3.21Å; A767-K769 PolarHBondContact O-N 3.48Å; A767-C770 WeakPolarHBondContact O-CB 3.42Å; A767-C770 PolarHBondContact O-N 2.78Å; A767-I771 PolarHBondContact O-N 3.07Å |
| 768 | H | 90.2 | Very high | 87.4 | Confident | 3 Ų | 3 | 28 Ų | 28 | 1% | 0.014 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.1 | -40.1 | 175.1 | -73.5 | 69.7 | 0 | 0 | 0 | 112.2 | I445 F721 R725 Y728 L764 I766 C770 I771 L772 | I445-H768 WeakPolarHBondContact CD1-CE1 3.36Å; F721-H768 AromaticContact CD1-CD2 3.59Å; F721-H768 AromaticContact CE1-CD2 3.96Å; R725-H768 HydrophobicContact CB-CB 3.83Å; R725-H768 HydrophobicContact CG-CB 4.33Å; Y728-H768 AromaticContact CD2-CE1 3.99Å; Y728-H768 AromaticContact CD2-ND1 3.94Å; Y728-H768 AromaticContact CE2-CE1 3.36Å; Y728-H768 WeakPolarHBondContact CE2-CE1 3.37Å; Y728-H768 AromaticContact CE2-ND1 3.78Å; Y728-H768 AromaticContact CE2-NE2 3.83Å; L764-H768 PolarHBondContact O-N 2.93Å; L764-H768 PolarHBondContact O-ND1 3.23Å; I766-H768 VanDerWaalsContact C-N 3.34Å; I766-H768 PolarHBondContact O-N 3.16Å; H768-C770 VanDerWaalsContact C-N 3.31Å; H768-C770 PolarHBondContact O-N 3.29Å; H768-I771 PolarHBondContact O-N 3.47Å; H768-L772 VanDerWaalsContact O-CB 3.28Å; H768-L772 WeakPolarHBondContact O-CB 3.41Å; H768-L772 WeakPolarHBondContact O-CD1 3.34Å; H768-L772 VanDerWaalsContact O-CG 3.26Å; H768-L772 WeakPolarHBondContact O-CG 3.41Å; H768-L772 PolarHBondContact O-N 2.93Å |
| 769 | K | 86.9 | Confident | 87.7 | Confident | 85 Ų | 85 | 27.3 Ų | 27.3 | 37% | 0.37 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -59.7 | -40.9 | 175 | -172 | -177.8 | 179.6 | -178.9 | 0 | 111.7 | Q765 I766 A767 N773 | Q765-K769 WeakPolarHBondContact O-CB 3.1Å; Q765-K769 PolarHBondContact O-N 2.89Å; I766-K769 WeakPolarHBondContact O-CB 3.3Å; I766-K769 PolarHBondContact O-N 2.66Å; I766-K769 VanDerWaalsContact O-N 3.15Å; A767-K769 PolarHBondContact O-N 3.48Å; K769-N773 WeakPolarHBondContact O-CB 3.42Å; K769-N773 VanDerWaalsContact O-CG 3.3Å; K769-N773 PolarHBondContact O-N 2.67Å; K769-N773 VanDerWaalsContact O-N 3.08Å; K769-N773 PolarHBondContact O-ND2 3.44Å |
| 770 | C | 85.4 | Confident | 87.7 | Confident | 9 Ų | 9 | 26.1 Ų | 26.1 | 6% | 0.061 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.5 | -47 | 178.8 | -177.4 | 0 | 0 | 0 | 0 | 111.6 | F438 I766 A767 H768 S774 | F438-C770 HydrophobicContact CE2-CB 4.48Å; F438-C770 HydrophobicContact CZ-CB 4.2Å; I766-C770 PolarHBondContact O-N 3.14Å; A767-C770 WeakPolarHBondContact O-CB 3.42Å; A767-C770 PolarHBondContact O-N 2.78Å; H768-C770 VanDerWaalsContact C-N 3.31Å; H768-C770 PolarHBondContact O-N 3.29Å; C770-S774 PolarHBondContact O-OG 3.34Å |
| 771 | I | 88.7 | Confident | 87.7 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -70.4 | -44.5 | 178 | -57.5 | -59.3 | 0 | 0 | 0 | 111.7 | L442 I446 L461 L465 F721 A767 H768 N773 S774 F775 | L442-I771 HydrophobicContact CD2-CD1 4.16Å; L442-I771 HydrophobicContact CD2-CG1 4.08Å; I446-I771 HydrophobicContact CD1-CD1 4.12Å; L461-I771 HydrophobicContact CB-CD1 3.65Å; L461-I771 HydrophobicContact CD1-CD1 4.36Å; L465-I771 HydrophobicContact CD2-CG2 3.64Å; F721-I771 HydrophobicContact CD1-CB 4.47Å; F721-I771 HydrophobicContact CD1-CG2 4.33Å; F721-I771 HydrophobicContact CE1-CB 4.41Å; F721-I771 HydrophobicContact CE1-CG2 4.2Å; A767-I771 PolarHBondContact O-N 3.07Å; H768-I771 PolarHBondContact O-N 3.47Å; I771-N773 VanDerWaalsContact C-N 3.29Å; I771-N773 PolarHBondContact O-N 3.14Å; I771-S774 WeakPolarHBondContact O-CA 3.41Å; I771-S774 WeakPolarHBondContact O-CB 3.36Å; I771-S774 PolarHBondContact O-N 3.24Å; I771-F775 HydrophobicContact CG2-CE2 3.96Å; I771-F775 HydrophobicContact CG2-CZ 4.27Å; I771-F775 WeakPolarHBondContact O-CD2 3.04Å |
| 772 | L | 87.4 | Confident | 87 | Confident | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.2 | -41.1 | 178.8 | -81.3 | 165.1 | 0 | 0 | 0 | 113.1 | P592 I718 F721 R722 R725 H768 S774 F775 | P592-L772 HydrophobicContact CB-CD2 4.48Å; P592-L772 HydrophobicContact CG-CB 4.43Å; P592-L772 HydrophobicContact CG-CD2 4.34Å; I718-L772 HydrophobicContact CG2-CD2 4.29Å; F721-L772 HydrophobicContact CB-CD2 3.78Å; F721-L772 HydrophobicContact CB-CG 4.07Å; R722-L772 HydrophobicContact CB-CD1 4.43Å; R722-L772 HydrophobicContact CB-CD2 4.15Å; R725-L772 HydrophobicContact CB-CD1 4.09Å; H768-L772 VanDerWaalsContact O-CB 3.28Å; H768-L772 WeakPolarHBondContact O-CB 3.41Å; H768-L772 WeakPolarHBondContact O-CD1 3.34Å; H768-L772 VanDerWaalsContact O-CG 3.26Å; H768-L772 WeakPolarHBondContact O-CG 3.41Å; H768-L772 PolarHBondContact O-N 2.93Å; L772-S774 PolarHBondContact O-N 3.42Å; L772-F775 HydrophobicContact CD2-CE2 4.34Å |
| 773 | N | 80.6 | Confident | 86.6 | Confident | 74 Ų | 74 | 33.5 Ų | 33.5 | 40% | 0.396 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -11.6 | 178.1 | -73.5 | -15.2 | 0 | 0 | 0 | 113.4 | K769 I771 Y776 | K769-N773 WeakPolarHBondContact O-CB 3.42Å; K769-N773 VanDerWaalsContact O-CG 3.3Å; K769-N773 PolarHBondContact O-N 2.67Å; K769-N773 VanDerWaalsContact O-N 3.08Å; K769-N773 PolarHBondContact O-ND2 3.44Å; I771-N773 VanDerWaalsContact C-N 3.29Å; I771-N773 PolarHBondContact O-N 3.14Å; N773-Y776 WeakPolarHBondContact O-CE1 3.42Å |
| 774 | S | 87.4 | Confident | 86.7 | Confident | 13 Ų | 13 | 33.3 Ų | 33.3 | 9% | 0.091 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -18.9 | -174 | -60.7 | 0 | 0 | 0 | 0 | 114.3 | S458 C770 I771 L772 Y776 G777 Y778 | S458-S774 WeakPolarHBondContact CB-OG 3.32Å; S458-S774 PolarHBondContact OG-OG 3.4Å; C770-S774 PolarHBondContact O-OG 3.34Å; I771-S774 WeakPolarHBondContact O-CA 3.41Å; I771-S774 WeakPolarHBondContact O-CB 3.36Å; I771-S774 PolarHBondContact O-N 3.24Å; L772-S774 PolarHBondContact O-N 3.42Å; S774-Y776 PolarHBondContact O-N 3.26Å; S774-G777 PolarHBondContact O-N 3.27Å; S774-Y778 VanDerWaalsContact O-CB 3.24Å; S774-Y778 WeakPolarHBondContact O-CB 3.38Å; S774-Y778 PolarHBondContact O-N 2.64Å |
| 775 | F | 91.5 | Very high | 86.8 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.009 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.9 | -52.4 | -175.2 | -78.5 | -84.4 | 0 | 0 | 0 | 114 | C462 L465 L466 Y714 T717 I718 I771 L772 G777 Y778 V779 | C462-F775 VanDerWaalsContact SG-CD1 3.54Å; L465-F775 HydrophobicContact CD2-CZ 3.89Å; L466-F775 HydrophobicContact CD1-CD1 4.47Å; L466-F775 HydrophobicContact CD1-CE1 4.37Å; L466-F775 HydrophobicContact CD2-CE1 3.9Å; L466-F775 HydrophobicContact CG-CE1 4.12Å; Y714-F775 HydrophobicContact CE1-CD1 4.36Å; Y714-F775 HydrophobicContact CE2-CD1 4.35Å; Y714-F775 AromaticContact CZ-CD1 3.86Å; Y714-F775 PolarHBondContact OH-O 3.41Å; T717-F775 HydrophobicContact CG2-CE1 4.23Å; T717-F775 HydrophobicContact CG2-CZ 4.01Å; I718-F775 HydrophobicContact CD1-CB 4Å; I718-F775 HydrophobicContact CD1-CD1 3.77Å; I718-F775 HydrophobicContact CD1-CD2 4.33Å; I718-F775 HydrophobicContact CD1-CE1 4.31Å; I718-F775 HydrophobicContact CD1-CG 3.78Å; I718-F775 HydrophobicContact CG1-CB 4.46Å; I718-F775 HydrophobicContact CG1-CD1 3.63Å; I718-F775 HydrophobicContact CG1-CD2 3.88Å; I718-F775 HydrophobicContact CG1-CE1 3.68Å; I718-F775 HydrophobicContact CG1-CE2 3.93Å; I718-F775 HydrophobicContact CG1-CG 3.73Å; I718-F775 HydrophobicContact CG1-CZ 3.83Å; I771-F775 HydrophobicContact CG2-CE2 3.96Å; I771-F775 HydrophobicContact CG2-CZ 4.27Å; I771-F775 WeakPolarHBondContact O-CD2 3.04Å; L772-F775 HydrophobicContact CD2-CE2 4.34Å; F775-G777 VanDerWaalsContact C-N 3.31Å; F775-G777 PolarHBondContact O-N 3.01Å; F775-Y778 PolarHBondContact O-N 3.26Å; F775-V779 PolarHBondContact O-N 3.46Å |
| 776 | Y | 87.8 | Confident | 87 | Confident | 59 Ų | 59 | 33 Ų | 33 | 23% | 0.231 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.5 | -33.4 | -178.2 | 86.1 | -82 | 0 | 0 | 0 | 112.2 | Y591 N773 S774 V779 | Y591-Y776 AromaticContact CD2-CD1 3.61Å; Y591-Y776 HydrophobicContact CD2-CD1 3.61Å; Y591-Y776 AromaticContact CD2-CE1 3.35Å; Y591-Y776 HydrophobicContact CD2-CE1 3.35Å; Y591-Y776 HydrophobicContact CD2-CE2 4.38Å; Y591-Y776 HydrophobicContact CD2-CG 4.24Å; Y591-Y776 AromaticContact CD2-CZ 3.77Å; Y591-Y776 HydrophobicContact CE2-CD1 4.32Å; Y591-Y776 AromaticContact CE2-CE1 3.69Å; Y591-Y776 HydrophobicContact CE2-CE1 3.69Å; Y591-Y776 HydrophobicContact CE2-CE2 4.2Å; Y591-Y776 AromaticContact CE2-CZ 3.62Å; Y591-Y776 AromaticContact CG-CD1 3.96Å; Y591-Y776 HydrophobicContact CG-CD1 3.96Å; Y591-Y776 HydrophobicContact CG-CE1 4.15Å; Y591-Y776 HydrophobicContact CG-CG 4.24Å; N773-Y776 WeakPolarHBondContact O-CE1 3.42Å; S774-Y776 PolarHBondContact O-N 3.26Å; Y776-V779 VanDerWaalsContact O-CG2 3.27Å; Y776-V779 WeakPolarHBondContact O-CG2 3.37Å |
| 777 | G | 87.3 | Confident | 87.3 | Confident | 25 Ų | 25 | 31.9 Ų | 31.9 | 26% | 0.258 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -76.5 | -27.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S774 F775 | S774-G777 PolarHBondContact O-N 3.27Å; F775-G777 VanDerWaalsContact C-N 3.31Å; F775-G777 PolarHBondContact O-N 3.01Å |
| 778 | Y | 92.1 | Very high | 87.5 | Confident | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.1 | -49.5 | 177 | 161.5 | -107.5 | 0 | 0 | 0 | 111.4 | G459 C462 E463 L466 S774 F775 M780 R781 R785 W786 | G459-Y778 VanDerWaalsContact O-CD2 3.29Å; G459-Y778 WeakPolarHBondContact O-CD2 3.49Å; C462-Y778 HydrophobicContact CB-CG 4.45Å; E463-Y778 HydrophobicContact CB-CD2 4.37Å; E463-Y778 HydrophobicContact CB-CE2 3.57Å; E463-Y778 HydrophobicContact CG-CE2 4.06Å; E463-Y778 WeakPolarHBondContact CG-OH 3.49Å; E463-Y778 PolarHBondContact OE2-OH 2.93Å; L466-Y778 HydrophobicContact CD1-CD1 3.81Å; L466-Y778 HydrophobicContact CD1-CE1 3.4Å; L466-Y778 VanDerWaalsContact CD1-CE1 3.4Å; S774-Y778 VanDerWaalsContact O-CB 3.24Å; S774-Y778 WeakPolarHBondContact O-CB 3.38Å; S774-Y778 PolarHBondContact O-N 2.64Å; F775-Y778 PolarHBondContact O-N 3.26Å; Y778-M780 PolarHBondContact O-N 2.92Å; Y778-M780 VanDerWaalsContact O-N 3.08Å; Y778-R781 WeakPolarHBondContact O-CB 3.41Å; Y778-R781 PolarHBondContact O-N 2.8Å; Y778-R785 PolarHBondContact OH-N 3.19Å; Y778-W786 HydrophobicContact CE1-CB 4.38Å; Y778-W786 HydrophobicContact CE1-CE3 4.19Å |
| 779 | V | 90.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -17.6 | -175.7 | -60 | 0 | 0 | 0 | 0 | 114 | P602 Y714 F775 Y776 W786 H787 S788 M791 A792 | P602-V779 HydrophobicContact CG-CB 4.4Å; P602-V779 HydrophobicContact CG-CG1 3.83Å; Y714-V779 HydrophobicContact CE2-CG1 4.24Å; Y714-V779 VanDerWaalsContact OH-CG1 3.24Å; Y714-V779 WeakPolarHBondContact OH-CG1 3.33Å; F775-V779 PolarHBondContact O-N 3.46Å; Y776-V779 VanDerWaalsContact O-CG2 3.27Å; Y776-V779 WeakPolarHBondContact O-CG2 3.37Å; V779-W786 WeakPolarHBondContact CG1-O 3.43Å; V779-H787 CarbonylContact O-C 3.5Å; V779-H787 WeakPolarHBondContact O-CA 3.43Å; V779-H787 PolarHBondContact O-ND1 3.17Å; V779-H787 VanDerWaalsContact O-ND1 3.11Å; V779-S788 PolarHBondContact O-N 3.02Å; V779-M791 HydrophobicContact CB-SD 4.45Å; V779-M791 HydrophobicContact CG1-CE 4.47Å; V779-M791 HydrophobicContact CG1-SD 4.09Å; V779-M791 HydrophobicContact CG2-CG 4.39Å; V779-M791 HydrophobicContact CG2-SD 4.1Å; V779-A792 HydrophobicContact CG2-CB 4.08Å |
| 780 | M | 84.9 | Confident | 87.8 | Confident | 60 Ų | 60 | 31.6 Ų | 31.6 | 30% | 0.296 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -19.7 | 174.6 | -171.8 | -162.5 | 172.6 | 0 | 0 | 112.9 | T499 Y500 Y778 R782 H787 A792 | T499-M780 WeakPolarHBondContact OG1-CE 3.21Å; Y500-M780 HydrophobicContact CD1-CE 4.45Å; Y500-M780 HydrophobicContact CD1-CG 4.48Å; Y500-M780 HydrophobicContact CD1-SD 4.25Å; Y500-M780 HydrophobicContact CE1-CB 4.33Å; Y500-M780 HydrophobicContact CE1-CE 4.11Å; Y500-M780 HydrophobicContact CE1-CG 3.83Å; Y500-M780 HydrophobicContact CE1-SD 3.39Å; Y500-M780 WeakPolarHBondContact CE1-SD 3.41Å; Y778-M780 PolarHBondContact O-N 2.92Å; Y778-M780 VanDerWaalsContact O-N 3.08Å; M780-R782 PolarHBondContact O-N 3.44Å; M780-H787 PolarHBondContact O-CE1 3.28Å; M780-H787 VanDerWaalsContact O-CE1 3.28Å; M780-A792 HydrophobicContact CB-CB 4.14Å |
| 781 | R | 83.4 | Confident | 88.1 | Confident | 110 Ų | 110 | 31.1 Ų | 31.1 | 42% | 0.415 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -68.6 | 124.8 | -176.9 | -64.6 | 180 | -179.2 | -169.6 | -2.1 | 108.8 | Y778 G783 S784 H787 | Y778-R781 WeakPolarHBondContact O-CB 3.41Å; Y778-R781 PolarHBondContact O-N 2.8Å; R781-G783 PolarHBondContact O-N 2.95Å; R781-G783 VanDerWaalsContact O-N 3.13Å; R781-S784 VanDerWaalsContact O-CB 3.32Å; R781-S784 WeakPolarHBondContact O-CB 3.22Å; R781-S784 PolarHBondContact O-N 3.07Å; R781-S784 PolarHBondContact O-OG 2.76Å; R781-H787 PolarHBondContact O-ND1 2.84Å; R781-H787 VanDerWaalsContact O-ND1 3.1Å |
| 782 | R | 75.7 | Confident | 88.3 | Confident | 120 Ų | 120 | 31.1 Ų | 31.1 | 45% | 0.453 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -37.8 | -178.4 | -70.8 | -177.5 | 175.9 | -178.3 | -5.2 | 112.9 | M780 S784 | M780-R782 PolarHBondContact O-N 3.44Å; R782-S784 VanDerWaalsContact C-N 3.3Å; R782-S784 PolarHBondContact O-N 3.3Å |
| 783 | G | 80.3 | Confident | 88.6 | Confident | 46 Ų | 46 | 31 Ų | 31 | 47% | 0.474 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 8.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | K480 R781 | K480-G783 WeakPolarHBondContact CD-O 3.45Å; K480-G783 WeakPolarHBondContact CG-O 3.29Å; R781-G783 PolarHBondContact O-N 2.95Å; R781-G783 VanDerWaalsContact O-N 3.13Å |
| 784 | S | 89.1 | Confident | 89.3 | Confident | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.014 | 14% | 0.137 | C | C | . | . | trans | -76 | 141.5 | 175 | 63.5 | 0 | 0 | 0 | 0 | 111.1 | R781 R782 H787 | R781-S784 VanDerWaalsContact O-CB 3.32Å; R781-S784 WeakPolarHBondContact O-CB 3.22Å; R781-S784 PolarHBondContact O-N 3.07Å; R781-S784 PolarHBondContact O-OG 2.76Å; R782-S784 VanDerWaalsContact C-N 3.3Å; R782-S784 PolarHBondContact O-N 3.3Å; S784-H787 WeakPolarHBondContact OG-CA 3.35Å; S784-H787 VanDerWaalsContact OG-CB 3.29Å; S784-H787 WeakPolarHBondContact OG-CB 3.42Å; S784-H787 PolarHBondContact OG-N 2.69Å | ||
| 785 | R | 91.3 | Very high | 89.6 | Confident | 8 Ų | 8 | 26.8 Ų | 26.8 | 3% | 0.03 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -46.4 | 171.9 | -64.9 | -178.6 | -170.1 | -73.2 | -4.5 | 112.5 | D187 E463 M467 P478 K480 Y778 H787 | D187-R785 IonicContact OD1-CZ 2.76Å; D187-R785 VanDerWaalsContact OD1-CZ 3.25Å; D187-R785 IonicContact OD1-NH1 3.7Å; D187-R785 PolarHBondContact OD1-NH1 3.14Å; D187-R785 IonicContact OD1-NH2 2.74Å; D187-R785 PolarHBondContact OD1-NH2 3.22Å; D187-R785 IonicContact OD2-CZ 3.5Å; D187-R785 IonicContact OD2-NH1 2.59Å; D187-R785 PolarHBondContact OD2-NH1 2.9Å; D187-R785 IonicContact OD2-NH2 3.23Å; D187-R785 PolarHBondContact OD2-NH2 3.39Å; E463-R785 PolarHBondContact OE2-N 2.9Å; M467-R785 PolarHBondContact SD-NE 3.41Å; M467-R785 VanDerWaalsContact SD-NE 3.43Å; P478-R785 HydrophobicContact CB-CB 4.45Å; P478-R785 WeakPolarHBondContact CB-O 3.31Å; P478-R785 HydrophobicContact CG-CB 3.99Å; P478-R785 WeakPolarHBondContact CG-O 3.39Å; P478-R785 WeakPolarHBondContact O-CD 3.44Å; P478-R785 WeakPolarHBondContact O-CG 3.38Å; P478-R785 PolarHBondContact O-NH1 2.94Å; K480-R785 HydrophobicContact CG-CG 3.79Å; Y778-R785 PolarHBondContact OH-N 3.19Å; R785-H787 PolarHBondContact O-N 3.24Å |
| 786 | W | 93.3 | Very high | 89.6 | Confident | 14 Ų | 14 | 27.1 Ų | 27.1 | 5% | 0.053 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 63.2 | 177.8 | -61.1 | -82.1 | 0 | 0 | 0 | 110.5 | L466 M467 A470 F477 P478 P602 F713 Y778 V779 | L466-W786 HydrophobicContact CB-CE3 3.71Å; L466-W786 HydrophobicContact CB-CH2 3.86Å; L466-W786 HydrophobicContact CB-CZ3 3.29Å; L466-W786 HydrophobicContact CD1-CE3 3.87Å; L466-W786 HydrophobicContact CD1-CZ3 4.29Å; L466-W786 HydrophobicContact CG-CE3 4.41Å; L466-W786 HydrophobicContact CG-CZ3 4.41Å; M467-W786 HydrophobicContact CG-CH2 3.88Å; M467-W786 HydrophobicContact CG-CZ3 4.13Å; A470-W786 HydrophobicContact CB-CH2 4.15Å; A470-W786 HydrophobicContact CB-CZ2 3.77Å; F477-W786 HydrophobicContact CD1-CH2 4.37Å; F477-W786 HydrophobicContact CD1-CZ2 4.31Å; P478-W786 HydrophobicContact CG-CD2 4.23Å; P478-W786 HydrophobicContact CG-CG 4.1Å; P478-W786 HydrophobicContact CG-CZ2 4.48Å; P602-W786 HydrophobicContact CB-CB 4.11Å; P602-W786 HydrophobicContact CG-CB 3.84Å; P602-W786 VanDerWaalsContact CG-O 3.28Å; P602-W786 WeakPolarHBondContact CG-O 2.81Å; F713-W786 HydrophobicContact CE2-CZ2 4.34Å; F713-W786 AromaticContact CZ-CE2 3.89Å; F713-W786 HydrophobicContact CZ-CZ2 4.26Å; F713-W786 AromaticContact CZ-NE1 3.57Å; Y778-W786 HydrophobicContact CE1-CB 4.38Å; Y778-W786 HydrophobicContact CE1-CE3 4.19Å; V779-W786 WeakPolarHBondContact CG1-O 3.43Å |
| 787 | H | 91.1 | Very high | 89.9 | Confident | 32 Ų | 32 | 25.6 Ų | 25.6 | 15% | 0.148 | 13% | 0.13 | C | C | . | . | trans | -76.5 | 128.1 | -180 | -176.4 | 75.1 | 0 | 0 | 0 | 111.8 | K481 V779 M780 R781 S784 R785 | K481-H787 HydrophobicContact CB-CB 4.46Å; K481-H787 HydrophobicContact CD-CB 3.79Å; K481-H787 HydrophobicContact CG-CB 4.06Å; V779-H787 CarbonylContact O-C 3.5Å; V779-H787 WeakPolarHBondContact O-CA 3.43Å; V779-H787 PolarHBondContact O-ND1 3.17Å; V779-H787 VanDerWaalsContact O-ND1 3.11Å; M780-H787 PolarHBondContact O-CE1 3.28Å; M780-H787 VanDerWaalsContact O-CE1 3.28Å; R781-H787 PolarHBondContact O-ND1 2.84Å; R781-H787 VanDerWaalsContact O-ND1 3.1Å; S784-H787 WeakPolarHBondContact OG-CA 3.35Å; S784-H787 VanDerWaalsContact OG-CB 3.29Å; S784-H787 WeakPolarHBondContact OG-CB 3.42Å; S784-H787 PolarHBondContact OG-N 2.69Å; R785-H787 PolarHBondContact O-N 3.24Å | ||
| 788 | S | 92.3 | Very high | 90.1 | Very high | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | trans | -152.5 | 114.3 | 165.5 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | V779 E790 M791 A792 | V779-S788 PolarHBondContact O-N 3.02Å; S788-E790 PolarHBondContact OG-OE2 2.81Å; S788-M791 WeakPolarHBondContact OG-CB 3.48Å; S788-M791 PolarHBondContact OG-N 3.47Å; S788-A792 PolarHBondContact O-N 3.11Å | ||
| 789 | M | 89.6 | Confident | 90.1 | Very high | 13 Ų | 13 | 24.8 Ų | 24.8 | 6% | 0.064 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -72.2 | -37.6 | 174.5 | -173.3 | -179.1 | -51.6 | 0 | 0 | 111.3 | E498 Y500 W629 A792 G793 | E498-M789 HydrophobicContact CB-CE 4.04Å; E498-M789 HydrophobicContact CB-SD 4.23Å; E498-M789 VanDerWaalsContact CD-CE 3.46Å; E498-M789 HydrophobicContact CG-CE 3.61Å; E498-M789 HydrophobicContact CG-SD 4.37Å; E498-M789 WeakPolarHBondContact OE1-CE 3.38Å; Y500-M789 HydrophobicContact CD1-CG 4.35Å; W629-M789 HydrophobicContact CH2-CG 4.42Å; W629-M789 HydrophobicContact CH2-SD 4.46Å; W629-M789 HydrophobicContact CZ3-CG 4.13Å; W629-M789 HydrophobicContact CZ3-SD 4.32Å; M789-A792 PolarHBondContact O-N 3.15Å; M789-G793 PolarHBondContact O-N 3.11Å |
| 790 | E | 93 | Very high | 90.1 | Very high | 65 Ų | 65 | 26.2 Ų | 26.2 | 30% | 0.304 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -59.6 | -49.1 | 179.5 | -54.7 | 82 | 174.7 | 0 | 0 | 110.1 | V605 W629 T704 S788 A792 G793 I794 | V605-E790 HydrophobicContact CG1-CB 4.2Å; V605-E790 HydrophobicContact CG1-CG 4.2Å; V605-E790 HydrophobicContact CG2-CB 4.45Å; W629-E790 HydrophobicContact CH2-CG 4.21Å; W629-E790 HydrophobicContact CZ2-CB 4.12Å; W629-E790 HydrophobicContact CZ2-CG 3.59Å; T704-E790 HydrophobicContact CG2-CB 4.01Å; T704-E790 HydrophobicContact CG2-CG 4.24Å; S788-E790 PolarHBondContact OG-OE2 2.81Å; E790-A792 PolarHBondContact O-N 3.08Å; E790-G793 PolarHBondContact O-N 2.75Å; E790-I794 VanDerWaalsContact O-CG1 3.24Å; E790-I794 WeakPolarHBondContact O-CG1 3.33Å; E790-I794 PolarHBondContact O-N 3.28Å |
| 791 | M | 93.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.6 | -50.8 | 176.2 | 174.8 | -177.5 | 169.8 | 0 | 0 | 111.6 | I595 L600 P602 Y714 V779 S788 G793 I794 V795 | I595-M791 HydrophobicContact CD1-CE 3.86Å; I595-M791 HydrophobicContact CG1-CE 3.92Å; I595-M791 HydrophobicContact CG2-CE 4.27Å; L600-M791 HydrophobicContact CB-CE 4.23Å; L600-M791 HydrophobicContact CB-CG 4.15Å; L600-M791 VanDerWaalsContact O-CE 3.25Å; L600-M791 WeakPolarHBondContact O-CE 3.39Å; P602-M791 HydrophobicContact CG-SD 3.87Å; Y714-M791 HydrophobicContact CE1-CE 3.67Å; V779-M791 HydrophobicContact CB-SD 4.45Å; V779-M791 HydrophobicContact CG1-CE 4.47Å; V779-M791 HydrophobicContact CG1-SD 4.09Å; V779-M791 HydrophobicContact CG2-CG 4.39Å; V779-M791 HydrophobicContact CG2-SD 4.1Å; S788-M791 WeakPolarHBondContact OG-CB 3.48Å; S788-M791 PolarHBondContact OG-N 3.47Å; M791-G793 VanDerWaalsContact C-N 3.29Å; M791-G793 PolarHBondContact O-N 3.12Å; M791-I794 PolarHBondContact O-N 3.49Å; M791-V795 VanDerWaalsContact O-CG2 3.31Å; M791-V795 WeakPolarHBondContact O-CG2 3.28Å; M791-V795 PolarHBondContact O-N 2.97Å |
| 792 | A | 92.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.1 | -39.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y500 V779 M780 S788 M789 E790 C796 | Y500-A792 HydrophobicContact CD1-CB 3.95Å; Y500-A792 HydrophobicContact CE1-CB 3.37Å; V779-A792 HydrophobicContact CG2-CB 4.08Å; M780-A792 HydrophobicContact CB-CB 4.14Å; S788-A792 PolarHBondContact O-N 3.11Å; M789-A792 PolarHBondContact O-N 3.15Å; E790-A792 PolarHBondContact O-N 3.08Å; A792-C796 WeakPolarHBondContact O-CB 3.38Å; A792-C796 PolarHBondContact O-N 3.2Å; A792-C796 VanDerWaalsContact O-N 3.08Å; A792-C796 PolarHBondContact O-SG 2.92Å |
| 793 | G | 93.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.4 | -45.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y500 W629 M789 E790 M791 C796 H797 | Y500-G793 VanDerWaalsContact CG-CA 3.47Å; W629-G793 VanDerWaalsContact CB-C 3.48Å; M789-G793 PolarHBondContact O-N 3.11Å; E790-G793 PolarHBondContact O-N 2.75Å; M791-G793 VanDerWaalsContact C-N 3.29Å; M791-G793 PolarHBondContact O-N 3.12Å; G793-C796 PolarHBondContact O-N 3.36Å; G793-H797 VanDerWaalsContact O-CB 3.22Å; G793-H797 WeakPolarHBondContact O-CB 3.32Å; G793-H797 PolarHBondContact O-N 2.82Å |
| 794 | I | 95.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.8 | -51 | 176.6 | -69 | 163.7 | 0 | 0 | 0 | 109.8 | L600 M627 W629 I706 E790 M791 C796 H797 T798 | L600-I794 HydrophobicContact CD1-CB 4.48Å; L600-I794 HydrophobicContact CD1-CG2 3.77Å; L600-I794 HydrophobicContact CD2-CD1 4.42Å; L600-I794 HydrophobicContact CD2-CG2 3.99Å; M627-I794 HydrophobicContact CB-CD1 3.94Å; M627-I794 HydrophobicContact CB-CG1 4.14Å; M627-I794 HydrophobicContact CB-CG2 4.07Å; M627-I794 HydrophobicContact CE-CG2 3.57Å; M627-I794 HydrophobicContact SD-CG2 3.81Å; W629-I794 HydrophobicContact CB-CG1 3.84Å; W629-I794 HydrophobicContact CG-CG1 4.1Å; I706-I794 HydrophobicContact CD1-CD1 3.69Å; I706-I794 HydrophobicContact CG1-CD1 4.07Å; E790-I794 VanDerWaalsContact O-CG1 3.24Å; E790-I794 WeakPolarHBondContact O-CG1 3.33Å; E790-I794 PolarHBondContact O-N 3.28Å; M791-I794 PolarHBondContact O-N 3.49Å; I794-C796 VanDerWaalsContact C-N 3.28Å; I794-C796 PolarHBondContact O-N 3.26Å; I794-H797 PolarHBondContact O-N 3.01Å; I794-T798 WeakPolarHBondContact O-CB 3.19Å; I794-T798 PolarHBondContact O-N 2.69Å; I794-T798 PolarHBondContact O-OG1 2.96Å |
| 795 | V | 94.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -55 | -45.9 | -179.9 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | Y591 I594 I595 L600 M791 G799 | Y591-V795 HydrophobicContact CD1-CG1 3.45Å; Y591-V795 VanDerWaalsContact CD1-CG1 3.45Å; Y591-V795 HydrophobicContact CE1-CG1 4.31Å; Y591-V795 HydrophobicContact CG-CG1 3.98Å; I594-V795 HydrophobicContact CG2-CB 4.49Å; I594-V795 HydrophobicContact CG2-CG1 4.46Å; I594-V795 HydrophobicContact CG2-CG2 4.36Å; I595-V795 HydrophobicContact CD1-CG2 4.21Å; I595-V795 HydrophobicContact CG1-CG2 3.52Å; L600-V795 HydrophobicContact CD1-CG2 3.55Å; M791-V795 VanDerWaalsContact O-CG2 3.31Å; M791-V795 WeakPolarHBondContact O-CG2 3.28Å; M791-V795 PolarHBondContact O-N 2.97Å; V795-G799 PolarHBondContact O-N 3.24Å; V795-G799 VanDerWaalsContact O-N 3.09Å |
| 796 | C | 90.8 | Very high | 91.5 | Very high | 8 Ų | 8 | 26.8 Ų | 26.8 | 5% | 0.054 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -72.4 | -37.5 | -179.3 | -67.9 | 0 | 0 | 0 | 0 | 112.9 | Y500 A792 G793 I794 A800 | Y500-C796 HydrophobicContact CD2-CB 3.99Å; Y500-C796 HydrophobicContact CE2-CB 3.62Å; Y500-C796 WeakPolarHBondContact CE2-SG 3.36Å; A792-C796 WeakPolarHBondContact O-CB 3.38Å; A792-C796 PolarHBondContact O-N 3.2Å; A792-C796 VanDerWaalsContact O-N 3.08Å; A792-C796 PolarHBondContact O-SG 2.92Å; G793-C796 PolarHBondContact O-N 3.36Å; I794-C796 VanDerWaalsContact C-N 3.28Å; I794-C796 PolarHBondContact O-N 3.26Å; C796-A800 PolarHBondContact O-N 2.77Å |
| 797 | H | 93.2 | Very high | 91 | Very high | 27 Ų | 27 | 31.4 Ų | 31.4 | 13% | 0.125 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68 | -47.8 | 178 | -171.5 | 68 | 0 | 0 | 0 | 111.5 | E628 V630 G793 I794 G799 A800 Q801 | E628-H797 PolarHBondContact O-CD2 3.02Å; V630-H797 WeakPolarHBondContact CG2-ND1 3.25Å; G793-H797 VanDerWaalsContact O-CB 3.22Å; G793-H797 WeakPolarHBondContact O-CB 3.32Å; G793-H797 PolarHBondContact O-N 2.82Å; I794-H797 PolarHBondContact O-N 3.01Å; H797-G799 VanDerWaalsContact C-N 3.32Å; H797-G799 PolarHBondContact O-N 3.23Å; H797-A800 WeakPolarHBondContact O-CB 3.5Å; H797-A800 PolarHBondContact O-N 2.85Å; H797-A800 VanDerWaalsContact O-N 3.12Å; H797-Q801 PolarHBondContact CE1-NE2 2.84Å; H797-Q801 VanDerWaalsContact CE1-NE2 3.28Å; H797-Q801 PolarHBondContact NE2-NE2 2.91Å; H797-Q801 WeakPolarHBondContact O-CG 3.11Å; H797-Q801 PolarHBondContact O-N 2.76Å |
| 798 | T | 93.1 | Very high | 90.7 | Very high | 12 Ų | 12 | 35 Ų | 35 | 7% | 0.074 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.4 | -44 | 175.1 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | I594 I794 A800 Q801 I802 F844 | I594-T798 HydrophobicContact CD1-CG2 4.37Å; I594-T798 HydrophobicContact CG1-CG2 4.27Å; I594-T798 HydrophobicContact CG2-CG2 3.98Å; I794-T798 WeakPolarHBondContact O-CB 3.19Å; I794-T798 PolarHBondContact O-N 2.69Å; I794-T798 PolarHBondContact O-OG1 2.96Å; T798-A800 VanDerWaalsContact C-N 3.33Å; T798-A800 PolarHBondContact O-N 3.43Å; T798-Q801 PolarHBondContact O-N 3.4Å; T798-Q801 VanDerWaalsContact O-N 3.15Å; T798-I802 HydrophobicContact CG2-CD1 4.02Å; T798-I802 WeakPolarHBondContact O-CG1 3.49Å; T798-I802 PolarHBondContact O-N 2.99Å; T798-F844 HydrophobicContact CG2-CD1 4.03Å; T798-F844 HydrophobicContact CG2-CE1 4.32Å |
| 799 | G | 91.8 | Very high | 90.4 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.5 | -42.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V795 H797 Q801 I802 I803 | V795-G799 PolarHBondContact O-N 3.24Å; V795-G799 VanDerWaalsContact O-N 3.09Å; H797-G799 VanDerWaalsContact C-N 3.32Å; H797-G799 PolarHBondContact O-N 3.23Å; G799-Q801 PolarHBondContact O-N 2.74Å; G799-I802 PolarHBondContact O-N 3.24Å; G799-I803 WeakPolarHBondContact O-CG1 3.21Å; G799-I803 PolarHBondContact O-N 3.2Å; G799-I803 VanDerWaalsContact O-N 3.15Å |
| 800 | A | 89.9 | Confident | 90 | Very high | 30 Ų | 30 | 37.4 Ų | 37.4 | 25% | 0.248 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.3 | -38.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | C796 H797 T798 K804 | C796-A800 PolarHBondContact O-N 2.77Å; H797-A800 WeakPolarHBondContact O-CB 3.5Å; H797-A800 PolarHBondContact O-N 2.85Å; H797-A800 VanDerWaalsContact O-N 3.12Å; T798-A800 VanDerWaalsContact C-N 3.33Å; T798-A800 PolarHBondContact O-N 3.43Å; A800-K804 VanDerWaalsContact O-CB 3.28Å; A800-K804 WeakPolarHBondContact O-CB 3.42Å; A800-K804 PolarHBondContact O-N 3.13Å |
| 801 | Q | 91 | Very high | 89.4 | Confident | 63 Ų | 63 | 38.9 Ų | 38.9 | 29% | 0.294 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -68.7 | -38.2 | 176.8 | -64.8 | -60.5 | -17.3 | 0 | 0 | 112.7 | H797 T798 G799 K804 K805 F844 | H797-Q801 PolarHBondContact CE1-NE2 2.84Å; H797-Q801 VanDerWaalsContact CE1-NE2 3.28Å; H797-Q801 PolarHBondContact NE2-NE2 2.91Å; H797-Q801 WeakPolarHBondContact O-CG 3.11Å; H797-Q801 PolarHBondContact O-N 2.76Å; T798-Q801 PolarHBondContact O-N 3.4Å; T798-Q801 VanDerWaalsContact O-N 3.15Å; G799-Q801 PolarHBondContact O-N 2.74Å; Q801-K804 PolarHBondContact O-N 2.8Å; Q801-K805 PolarHBondContact O-N 3.31Å; Q801-F844 HydrophobicContact CB-CE1 4Å; Q801-F844 HydrophobicContact CB-CZ 4.02Å |
| 802 | I | 91.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.5 | -50.7 | 174.9 | -68.6 | 158.4 | 0 | 0 | 0 | 109.8 | V587 I594 T798 G799 K804 K805 A806 V840 F844 I868 F870 | V587-I802 HydrophobicContact CG2-CG2 4.18Å; I594-I802 HydrophobicContact CD1-CD1 3.91Å; I594-I802 HydrophobicContact CG1-CD1 3.97Å; T798-I802 HydrophobicContact CG2-CD1 4.02Å; T798-I802 WeakPolarHBondContact O-CG1 3.49Å; T798-I802 PolarHBondContact O-N 2.99Å; G799-I802 PolarHBondContact O-N 3.24Å; I802-K804 VanDerWaalsContact C-N 3.33Å; I802-K804 PolarHBondContact O-N 3.35Å; I802-K805 PolarHBondContact O-N 2.77Å; I802-A806 WeakPolarHBondContact O-CB 3.39Å; I802-A806 PolarHBondContact O-N 2.82Å; I802-V840 HydrophobicContact CG2-CG2 4.24Å; I802-F844 HydrophobicContact CB-CE2 4.27Å; I802-F844 HydrophobicContact CB-CZ 4.28Å; I802-F844 HydrophobicContact CG1-CD1 3.97Å; I802-F844 HydrophobicContact CG1-CD2 3.78Å; I802-F844 HydrophobicContact CG1-CE1 3.78Å; I802-F844 HydrophobicContact CG1-CE2 3.57Å; I802-F844 HydrophobicContact CG1-CG 3.97Å; I802-F844 HydrophobicContact CG1-CZ 3.57Å; I802-I868 HydrophobicContact CD1-CD1 4.01Å; I802-I868 HydrophobicContact CD1-CG2 4.06Å; I802-F870 HydrophobicContact CG2-CE2 3.83Å; I802-F870 HydrophobicContact CG2-CZ 3.95Å |
| 803 | I | 87.4 | Confident | 87.8 | Confident | 86 Ų | 86 | 43.4 Ų | 43.4 | 44% | 0.441 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.8 | -41.3 | 178.8 | -64.5 | 167.9 | 0 | 0 | 0 | 110.8 | M590 G799 A806 R807 | M590-I803 HydrophobicContact CE-CD1 4.45Å; M590-I803 HydrophobicContact SD-CD1 4.21Å; M590-I803 HydrophobicContact SD-CG1 4.5Å; G799-I803 WeakPolarHBondContact O-CG1 3.21Å; G799-I803 PolarHBondContact O-N 3.2Å; G799-I803 VanDerWaalsContact O-N 3.15Å; I803-A806 PolarHBondContact O-N 3.24Å; I803-R807 VanDerWaalsContact O-CB 3.28Å; I803-R807 WeakPolarHBondContact O-CB 3.15Å; I803-R807 PolarHBondContact O-N 3.1Å |
| 804 | K | 87.2 | Confident | 86.1 | Confident | 124 Ų | 124 | 44 Ų | 44 | 54% | 0.539 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.9 | -45.3 | 178.8 | -173.1 | -178.3 | 177.4 | -172.8 | 0 | 111.9 | A800 Q801 I802 R807 M808 | A800-K804 VanDerWaalsContact O-CB 3.28Å; A800-K804 WeakPolarHBondContact O-CB 3.42Å; A800-K804 PolarHBondContact O-N 3.13Å; Q801-K804 PolarHBondContact O-N 2.8Å; I802-K804 VanDerWaalsContact C-N 3.33Å; I802-K804 PolarHBondContact O-N 3.35Å; K804-R807 PolarHBondContact O-N 3.28Å; K804-M808 WeakPolarHBondContact O-CG 3.23Å; K804-M808 PolarHBondContact O-N 2.91Å |
| 805 | K | 88.8 | Confident | 83.8 | Confident | 78 Ų | 78 | 48.8 Ų | 48.8 | 34% | 0.339 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.5 | -43.7 | 177 | -78.1 | -176 | 175.5 | -93.9 | 0 | 112 | Q801 I802 R807 M808 L809 M839 N843 F844 | Q801-K805 PolarHBondContact O-N 3.31Å; I802-K805 PolarHBondContact O-N 2.77Å; K805-R807 VanDerWaalsContact C-N 3.32Å; K805-R807 PolarHBondContact O-N 3.42Å; K805-M808 PolarHBondContact O-N 2.83Å; K805-L809 PolarHBondContact O-N 2.73Å; K805-L809 VanDerWaalsContact O-N 3.09Å; K805-M839 HydrophobicContact CB-CE 4.36Å; K805-M839 HydrophobicContact CB-SD 3.76Å; K805-N843 HydrophobicContact CD-CB 4.08Å; K805-N843 WeakPolarHBondContact CE-OD1 3.12Å; K805-N843 PolarHBondContact NZ-OD1 2.99Å; K805-F844 HydrophobicContact CD-CE2 3.84Å; K805-F844 HydrophobicContact CD-CZ 3.83Å |
| 806 | A | 88 | Confident | 81.2 | Confident | 7 Ų | 7 | 51 Ų | 51 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.6 | -44.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I802 I803 M808 L809 V810 L836 M839 F870 | I802-A806 WeakPolarHBondContact O-CB 3.39Å; I802-A806 PolarHBondContact O-N 2.82Å; I803-A806 PolarHBondContact O-N 3.24Å; A806-M808 PolarHBondContact O-N 2.83Å; A806-L809 PolarHBondContact O-N 3.46Å; A806-V810 VanDerWaalsContact O-CG2 3.29Å; A806-V810 WeakPolarHBondContact O-CG2 3.14Å; A806-V810 PolarHBondContact O-N 2.96Å; A806-L836 HydrophobicContact CB-CD2 3.99Å; A806-M839 HydrophobicContact CB-CE 4.27Å; A806-F870 HydrophobicContact CB-CE1 4.25Å; A806-F870 HydrophobicContact CB-CE2 4.07Å; A806-F870 HydrophobicContact CB-CZ 3.5Å |
| 807 | R | 84.1 | Confident | 79 | Confident | 110 Ų | 110 | 51.7 Ų | 51.7 | 42% | 0.415 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.4 | -46.9 | 174.4 | 176.4 | -179.3 | 167.1 | -159.3 | -12.1 | 112.3 | L508 I803 K804 K805 L809 V810 E811 | L508-R807 HydrophobicContact CD1-CG 4.3Å; L508-R807 VanDerWaalsContact CD2-NH2 3.27Å; I803-R807 VanDerWaalsContact O-CB 3.28Å; I803-R807 WeakPolarHBondContact O-CB 3.15Å; I803-R807 PolarHBondContact O-N 3.1Å; K804-R807 PolarHBondContact O-N 3.28Å; K805-R807 VanDerWaalsContact C-N 3.32Å; K805-R807 PolarHBondContact O-N 3.42Å; R807-L809 VanDerWaalsContact C-N 3.27Å; R807-L809 PolarHBondContact O-N 2.89Å; R807-V810 PolarHBondContact O-N 2.94Å; R807-E811 HydrophobicContact CG-CG 4.2Å; R807-E811 IonicContact CZ-OE1 3.09Å; R807-E811 IonicContact NE-OE1 3.3Å; R807-E811 PolarHBondContact NE-OE1 3.37Å; R807-E811 IonicContact NE-OE2 2.72Å; R807-E811 IonicContact NH2-OE1 3.29Å; R807-E811 PolarHBondContact NH2-OE1 3.07Å; R807-E811 WeakPolarHBondContact O-CB 3.4Å; R807-E811 WeakPolarHBondContact O-CG 3.44Å; R807-E811 PolarHBondContact O-N 3.18Å |
| 808 | M | 84.6 | Confident | 76.4 | Confident | 109 Ų | 109 | 54.2 Ų | 54.2 | 54% | 0.537 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.4 | -41.1 | 178.5 | -72.4 | 172.4 | 62.9 | 0 | 0 | 111.9 | K804 K805 A806 D812 | K804-M808 WeakPolarHBondContact O-CG 3.23Å; K804-M808 PolarHBondContact O-N 2.91Å; K805-M808 PolarHBondContact O-N 2.83Å; A806-M808 PolarHBondContact O-N 2.83Å; M808-D812 PolarHBondContact O-N 3.22Å |
| 809 | L | 85.1 | Confident | 73.5 | Confident | 29 Ų | 29 | 59.7 Ų | 59.7 | 15% | 0.152 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.3 | -44.7 | 177.2 | -177.5 | 59.9 | 0 | 0 | 0 | 112.2 | T527 K805 A806 R807 D812 I813 V835 L836 M839 | T527-L809 HydrophobicContact CG2-CD1 3.73Å; K805-L809 PolarHBondContact O-N 2.73Å; K805-L809 VanDerWaalsContact O-N 3.09Å; A806-L809 PolarHBondContact O-N 3.46Å; R807-L809 VanDerWaalsContact C-N 3.27Å; R807-L809 PolarHBondContact O-N 2.89Å; L809-D812 PolarHBondContact O-N 3.39Å; L809-I813 WeakPolarHBondContact O-CG1 3.49Å; L809-I813 PolarHBondContact O-N 3.45Å; L809-V835 HydrophobicContact CD2-CG1 3.65Å; L809-L836 HydrophobicContact CD2-CD2 4.3Å; L809-M839 HydrophobicContact CD2-CB 4.43Å; L809-M839 HydrophobicContact CD2-SD 4.45Å |
| 810 | V | 82.3 | Confident | 70.6 | Confident | 36 Ų | 36 | 62.9 Ų | 62.9 | 22% | 0.218 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.3 | -37.8 | 179.9 | 173.9 | 0 | 0 | 0 | 0 | 111.8 | L585 A806 R807 D812 G814 L836 | L585-V810 HydrophobicContact CD1-CG2 4.03Å; A806-V810 VanDerWaalsContact O-CG2 3.29Å; A806-V810 WeakPolarHBondContact O-CG2 3.14Å; A806-V810 PolarHBondContact O-N 2.96Å; R807-V810 PolarHBondContact O-N 2.94Å; V810-D812 PolarHBondContact O-N 3.24Å; V810-G814 PolarHBondContact O-N 2.8Å; V810-L836 HydrophobicContact CG2-CD2 4.45Å |
| 811 | E | 79.7 | Confident | 67.9 | Low | 96 Ų | 96 | 71.1 Ų | 71.1 | 45% | 0.449 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.8 | -29.9 | 174.3 | -76.9 | 177.3 | 166.2 | 0 | 0 | 112.4 | L508 R807 | L508-E811 WeakPolarHBondContact CD1-OE1 2.99Å; R807-E811 HydrophobicContact CG-CG 4.2Å; R807-E811 IonicContact CZ-OE1 3.09Å; R807-E811 IonicContact NE-OE1 3.3Å; R807-E811 PolarHBondContact NE-OE1 3.37Å; R807-E811 IonicContact NE-OE2 2.72Å; R807-E811 IonicContact NH2-OE1 3.29Å; R807-E811 PolarHBondContact NH2-OE1 3.07Å; R807-E811 WeakPolarHBondContact O-CB 3.4Å; R807-E811 WeakPolarHBondContact O-CG 3.44Å; R807-E811 PolarHBondContact O-N 3.18Å |
| 812 | D | 79.8 | Confident | 65.2 | Low | 55 Ų | 55 | 75.3 Ų | 75.3 | 29% | 0.294 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -81.6 | -33.1 | -179.8 | -90.4 | -18.4 | 0 | 0 | 0 | 113.8 | N524 T527 M808 L809 V810 | N524-D812 HydrophobicContact CB-CB 3.93Å; N524-D812 WeakPolarHBondContact CB-O 3.36Å; N524-D812 PolarHBondContact N-O 3.04Å; N524-D812 PolarHBondContact ND2-OD1 2.94Å; T527-D812 HydrophobicContact CG2-CB 3.79Å; T527-D812 PolarHBondContact OG1-OD2 2.77Å; M808-D812 PolarHBondContact O-N 3.22Å; L809-D812 PolarHBondContact O-N 3.39Å; V810-D812 PolarHBondContact O-N 3.24Å |
| 813 | I | 73.4 | Confident | 62.3 | Low | 40 Ų | 40 | 77.2 Ų | 77.2 | 21% | 0.205 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -101.9 | 2 | -175.8 | 67.8 | -179.4 | 0 | 0 | 0 | 113.8 | L523 T527 L528 L531 L809 | L523-I813 WeakPolarHBondContact CD2-O 3.35Å; T527-I813 HydrophobicContact CG2-CG2 3.78Å; L528-I813 HydrophobicContact CD2-CB 4.4Å; L528-I813 HydrophobicContact CD2-CG2 4.11Å; L531-I813 HydrophobicContact CD1-CD1 4.32Å; L531-I813 HydrophobicContact CD1-CG2 3.83Å; L809-I813 WeakPolarHBondContact O-CG1 3.49Å; L809-I813 PolarHBondContact O-N 3.45Å |
| 814 | G | 57.6 | Low | 59.8 | Low | 12 Ų | 12 | 78.7 Ų | 78.7 | 12% | 0.124 | 41% | 0.414 | C | S | . | . | trans | 72.9 | 158.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | V810 A816 | V810-G814 PolarHBondContact O-N 2.8Å; G814-A816 PolarHBondContact O-N 3.31Å | ||
| 815 | E | 46.2 | Very low | 58 | Low | 101 Ų | 101 | 77 Ų | 77 | 47% | 0.472 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -74.8 | 20.9 | -172.2 | -54.3 | -174.7 | 153.1 | 0 | 0 | 114.7 | F521 | F521-E815 HydrophobicContact CE1-CB 4.05Š|
| 816 | A | 39.9 | Very low | 56.3 | Low | 47 Ų | 47 | 79.6 Ų | 79.6 | 39% | 0.388 | 45% | 0.446 | S | S | . | . | trans | -106.7 | 104.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | F521 G814 | F521-A816 HydrophobicContact CE1-CB 3.95Å; F521-A816 HydrophobicContact CZ-CB 3.97Å; G814-A816 PolarHBondContact O-N 3.31Å | ||
| 817 | I | 43.9 | Very low | 54.9 | Low | 22 Ų | 22 | 83.1 Ų | 83.1 | 11% | 0.113 | 47% | 0.466 | C | S | . | . | trans | -102.7 | 121.9 | -174.6 | -74.1 | 173.4 | 0 | 0 | 0 | 110.3 | L581 Y583 L585 P832 I872 | L581-I817 WeakPolarHBondContact CD1-O 3.48Å; Y583-I817 HydrophobicContact CD2-CB 3.59Å; Y583-I817 HydrophobicContact CD2-CD1 4.04Å; Y583-I817 HydrophobicContact CD2-CG1 4.36Å; Y583-I817 HydrophobicContact CD2-CG2 3.57Å; Y583-I817 HydrophobicContact CE2-CB 3.57Å; Y583-I817 HydrophobicContact CE2-CG2 3.39Å; Y583-I817 WeakPolarHBondContact CE2-O 3.23Å; Y583-I817 HydrophobicContact CG-CD1 4.41Å; Y583-I817 HydrophobicContact CG-CG2 4.21Å; L585-I817 HydrophobicContact CD1-CD1 4.31Å; L585-I817 HydrophobicContact CD2-CD1 3.89Å; L585-I817 HydrophobicContact CG-CD1 4.48Å; I817-P832 HydrophobicContact CB-CB 4.3Å; I817-P832 HydrophobicContact CB-CG 4.01Å; I817-P832 HydrophobicContact CD1-CB 4.49Å; I817-P832 HydrophobicContact CG1-CB 4.07Å; I817-P832 HydrophobicContact CG1-CG 4.22Å; I817-P832 HydrophobicContact CG2-CB 3.67Å; I817-P832 HydrophobicContact CG2-CG 3.45Å; I817-P832 VanDerWaalsContact CG2-CG 3.45Å; I817-I872 HydrophobicContact CG2-CD1 4.44Å | ||
| 818 | L | 38.3 | Very low | 53.8 | Low | 81 Ų | 81 | 80.8 Ų | 80.8 | 42% | 0.424 | 48% | 0.477 | S | S | . | . | trans | -87.5 | 139.6 | -174.9 | -65.3 | 163.4 | 0 | 0 | 0 | 113.3 | K566 P832 | K566-L818 HydrophobicContact CB-CD1 4.4Å; K566-L818 HydrophobicContact CD-CD1 4.42Å; L818-P832 WeakPolarHBondContact O-CD 3.44Å | ||
| 819 | K | 32.7 | Very low | 53 | Low | 126 Ų | 126 | 77.3 Ų | 77.3 | 55% | 0.548 | 46% | 0.46 | S | S | . | . | trans | -118.2 | 139.7 | 171.7 | -109.1 | -178.9 | 177.9 | 172.7 | 0 | 110.5 | G874 | K819-G874 PolarHBondContact NZ-O 3.38Š| ||
| 820 | L | 31.7 | Very low | 52.6 | Low | 69 Ų | 69 | 77.3 Ų | 77.3 | 36% | 0.361 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -94.5 | 149.3 | 171 | -71.7 | 163.5 | 0 | 0 | 0 | 110.4 | I563 | I563-L820 HydrophobicContact CD1-CD1 4.28Å; I563-L820 HydrophobicContact CG1-CD1 4.45Å |
| 821 | K | 32.4 | Very low | 52.5 | Low | 202 Ų | 202 | 76.4 Ų | 76.4 | 88% | 0.878 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 146.2 | -170.1 | -80.1 | -179.2 | 174.6 | 177.4 | 0 | 113.1 | ||
| 822 | N | 34 | Very low | 52.4 | Low | 151 Ų | 151 | 72.8 Ų | 72.8 | 81% | 0.807 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -96.2 | 118.1 | 178.7 | -70.1 | -20 | 0 | 0 | 0 | 111.6 | ||
| 823 | G | 31.1 | Very low | 52.5 | Low | 40 Ų | 40 | 70.9 Ų | 70.9 | 41% | 0.412 | 43% | 0.432 | S | S | . | . | trans | -128.4 | 150.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111 | G825 Q826 | G823-G825 PolarHBondContact O-N 3.1Å; G823-Q826 PolarHBondContact O-N 3.04Å | ||
| 824 | A | 34.6 | Very low | 53.1 | Low | 117 Ų | 117 | 69.1 Ų | 69.1 | 97% | 0.967 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 125 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 825 | G | 48.8 | Very low | 54.6 | Low | 90 Ų | 90 | 69 Ų | 69 | 93% | 0.928 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.5 | -1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | G823 | G823-G825 PolarHBondContact O-N 3.1Š|
| 826 | Q | 53.3 | Low | 56.7 | Low | 131 Ų | 131 | 64.6 Ų | 64.6 | 61% | 0.612 | 40% | 0.4 | S | S | * | . | trans | -104.6 | 149.2 | 178.9 | -67.3 | -177.7 | -24.4 | 0 | 0 | 113.4 | G823 | G823-Q826 PolarHBondContact O-N 3.04Š| ||
| 827 | V | 58.5 | Low | 59.1 | Low | 81 Ų | 81 | 63.6 Ų | 63.6 | 49% | 0.491 | 39% | 0.388 | S | S | . | . | trans | -80.8 | 112.2 | 172.9 | 178.3 | 0 | 0 | 0 | 0 | 109.1 | I548 L829 | I548-V827 HydrophobicContact CD1-CB 3.91Å; I548-V827 HydrophobicContact CD1-CG1 3.29Å; I548-V827 HydrophobicContact CD1-CG2 3.33Å; I548-V827 HydrophobicContact CG1-CG2 4.15Å; V827-L829 PolarHBondContact O-N 3.47Å | ||
| 828 | G | 61.5 | Low | 61.2 | Low | 61 Ų | 61 | 63.5 Ų | 63.5 | 63% | 0.629 | 39% | 0.391 | S | S | * | . | trans | -77.6 | 106.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 829 | L | 68.3 | Low | 63.7 | Low | 36 Ų | 36 | 60.9 Ų | 60.9 | 19% | 0.188 | 38% | 0.377 | C | S | . | . | trans | -106.1 | 123.9 | 177.8 | -174.3 | 150.2 | 0 | 0 | 0 | 111.1 | V539 A542 V827 A834 | V539-L829 HydrophobicContact CG1-CD1 4.12Å; A542-L829 HydrophobicContact CB-CD1 3.45Å; A542-L829 VanDerWaalsContact CB-CD1 3.45Å; A542-L829 HydrophobicContact CB-CG 4.1Å; V827-L829 PolarHBondContact O-N 3.47Å; L829-A834 HydrophobicContact CD2-CB 4.32Å | ||
| 830 | S | 75.8 | Confident | 66.5 | Low | 30 Ų | 30 | 54.9 Ų | 54.9 | 21% | 0.21 | 35% | 0.35 | C | S | . | . | trans | -88.7 | 104.8 | 168 | 178.9 | 0 | 0 | 0 | 0 | 109.1 | P832 A833 A834 | S830-P832 VanDerWaalsContact C-N 3.31Å; S830-A833 WeakPolarHBondContact O-CB 3.42Å; S830-A833 PolarHBondContact O-N 2.91Å; S830-A833 VanDerWaalsContact O-N 3.1Å; S830-A834 PolarHBondContact O-N 3.01Å | ||
| 831 | Y | 80.8 | Confident | 69.2 | Low | 17 Ų | 17 | 57.8 Ų | 57.8 | 7% | 0.067 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.2 | -39.1 | -178.8 | -178.6 | -111.9 | 0 | 0 | 0 | 112.9 | L531 L535 T538 V539 I563 L567 A833 A834 V835 | L531-Y831 PolarHBondContact O-OH 2.92Å; L535-Y831 HydrophobicContact CD1-CD2 4.14Å; L535-Y831 HydrophobicContact CD1-CE2 3.27Å; L535-Y831 VanDerWaalsContact CD1-CZ 3.49Å; L535-Y831 WeakPolarHBondContact CD1-OH 3.42Å; T538-Y831 HydrophobicContact CG2-CE2 3.96Å; V539-Y831 HydrophobicContact CG2-CD2 4.23Å; V539-Y831 HydrophobicContact CG2-CE2 4.24Å; I563-Y831 HydrophobicContact CD1-CD2 4.04Å; I563-Y831 HydrophobicContact CD1-CG 4.22Å; I563-Y831 HydrophobicContact CG2-CD1 3.9Å; I563-Y831 HydrophobicContact CG2-CD2 4.27Å; I563-Y831 HydrophobicContact CG2-CE1 3.78Å; I563-Y831 HydrophobicContact CG2-CE2 4.19Å; I563-Y831 HydrophobicContact CG2-CG 4.14Å; L567-Y831 HydrophobicContact CD1-CE1 4.09Å; L567-Y831 HydrophobicContact CD2-CE1 4.41Å; Y831-A833 PolarHBondContact O-N 3.26Å; Y831-A834 WeakPolarHBondContact O-CA 3.47Å; Y831-A834 VanDerWaalsContact O-CB 3.3Å; Y831-A834 WeakPolarHBondContact O-CB 3.42Å; Y831-A834 PolarHBondContact O-N 3.17Å; Y831-A834 VanDerWaalsContact O-N 3.13Å; Y831-V835 HydrophobicContact CD1-CG2 4.16Å; Y831-V835 HydrophobicContact CD2-CG2 4.36Å; Y831-V835 HydrophobicContact CE1-CG2 3.7Å; Y831-V835 HydrophobicContact CE2-CG2 3.9Å; Y831-V835 HydrophobicContact CG-CG2 4.48Å; Y831-V835 WeakPolarHBondContact O-CG2 3.27Å; Y831-V835 PolarHBondContact O-N 3.47Å |
| 832 | P | 78.6 | Confident | 72 | Confident | 20 Ų | 20 | 55.3 Ų | 55.3 | 13% | 0.13 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66 | -35.6 | 175.9 | -29.4 | 42.8 | 0 | 0 | 0 | 113.8 | I817 L818 S830 A834 V835 L836 I872 | I817-P832 HydrophobicContact CB-CB 4.3Å; I817-P832 HydrophobicContact CB-CG 4.01Å; I817-P832 HydrophobicContact CD1-CB 4.49Å; I817-P832 HydrophobicContact CG1-CB 4.07Å; I817-P832 HydrophobicContact CG1-CG 4.22Å; I817-P832 HydrophobicContact CG2-CB 3.67Å; I817-P832 HydrophobicContact CG2-CG 3.45Å; I817-P832 VanDerWaalsContact CG2-CG 3.45Å; L818-P832 WeakPolarHBondContact O-CD 3.44Å; S830-P832 VanDerWaalsContact C-N 3.31Å; P832-A834 VanDerWaalsContact C-N 3.31Å; P832-V835 PolarHBondContact O-N 3.34Å; P832-L836 WeakPolarHBondContact O-CG 3.44Å; P832-L836 PolarHBondContact O-N 3.17Å; P832-I872 HydrophobicContact CB-CD1 3.87Å |
| 833 | A | 82.1 | Confident | 74.8 | Confident | 14 Ų | 14 | 51.4 Ų | 51.4 | 12% | 0.116 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110 | S830 Y831 V835 L836 N837 I872 | S830-A833 WeakPolarHBondContact O-CB 3.42Å; S830-A833 PolarHBondContact O-N 2.91Å; S830-A833 VanDerWaalsContact O-N 3.1Å; Y831-A833 PolarHBondContact O-N 3.26Å; A833-V835 PolarHBondContact O-N 2.85Å; A833-L836 PolarHBondContact O-N 3.41Å; A833-N837 VanDerWaalsContact O-CB 3.23Å; A833-N837 WeakPolarHBondContact O-CB 3.1Å; A833-N837 PolarHBondContact O-N 3.11Å; A833-N837 PolarHBondContact O-ND2 2.84Å; A833-N837 VanDerWaalsContact O-ND2 3.11Å; A833-I872 HydrophobicContact CB-CD1 3.67Å; A833-I872 HydrophobicContact CB-CG1 3.82Å; A833-I872 VanDerWaalsContact N-CD1 3.27Å |
| 834 | A | 85 | Confident | 77.8 | Confident | 4 Ų | 4 | 50.7 Ų | 50.7 | 3% | 0.033 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.2 | -45.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | T538 A542 L829 S830 Y831 P832 N837 A838 | T538-A834 HydrophobicContact CG2-CB 3.84Å; A542-A834 HydrophobicContact CB-CB 3.6Å; L829-A834 HydrophobicContact CD2-CB 4.32Å; S830-A834 PolarHBondContact O-N 3.01Å; Y831-A834 WeakPolarHBondContact O-CA 3.47Å; Y831-A834 VanDerWaalsContact O-CB 3.3Å; Y831-A834 WeakPolarHBondContact O-CB 3.42Å; Y831-A834 PolarHBondContact O-N 3.17Å; Y831-A834 VanDerWaalsContact O-N 3.13Å; P832-A834 VanDerWaalsContact C-N 3.31Å; A834-N837 PolarHBondContact O-N 3.38Å; A834-A838 VanDerWaalsContact O-CB 3.3Å; A834-A838 WeakPolarHBondContact O-CB 3.28Å; A834-A838 PolarHBondContact O-N 3.34Å |
| 835 | V | 88.6 | Confident | 80.7 | Confident | 10 Ų | 10 | 46.6 Ų | 46.6 | 6% | 0.061 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.2 | -49.2 | 177 | 168.3 | 0 | 0 | 0 | 0 | 111.4 | L531 T538 L809 Y831 P832 A833 N837 A838 M839 | L531-V835 HydrophobicContact CD2-CG1 3.7Å; L531-V835 HydrophobicContact CD2-CG2 4.14Å; T538-V835 HydrophobicContact CG2-CG2 4.01Å; L809-V835 HydrophobicContact CD2-CG1 3.65Å; Y831-V835 HydrophobicContact CD1-CG2 4.16Å; Y831-V835 HydrophobicContact CD2-CG2 4.36Å; Y831-V835 HydrophobicContact CE1-CG2 3.7Å; Y831-V835 HydrophobicContact CE2-CG2 3.9Å; Y831-V835 HydrophobicContact CG-CG2 4.48Å; Y831-V835 WeakPolarHBondContact O-CG2 3.27Å; Y831-V835 PolarHBondContact O-N 3.47Å; P832-V835 PolarHBondContact O-N 3.34Å; A833-V835 PolarHBondContact O-N 2.85Å; V835-N837 VanDerWaalsContact C-N 3.32Å; V835-N837 PolarHBondContact O-N 3.37Å; V835-A838 PolarHBondContact O-N 3.09Å; V835-M839 PolarHBondContact O-N 3.02Å |
| 836 | L | 89.8 | Confident | 82.9 | Confident | 8 Ų | 8 | 42.3 Ų | 42.3 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.4 | -39.5 | 178 | -70.8 | 172.5 | 0 | 0 | 0 | 111.7 | L585 A806 L809 V810 P832 A833 M839 V840 F870 | L585-L836 HydrophobicContact CD1-CD1 4.01Å; L585-L836 HydrophobicContact CD2-CD1 4.18Å; A806-L836 HydrophobicContact CB-CD2 3.99Å; L809-L836 HydrophobicContact CD2-CD2 4.3Å; V810-L836 HydrophobicContact CG2-CD2 4.45Å; P832-L836 WeakPolarHBondContact O-CG 3.44Å; P832-L836 PolarHBondContact O-N 3.17Å; A833-L836 PolarHBondContact O-N 3.41Å; L836-M839 WeakPolarHBondContact O-CB 3.31Å; L836-M839 PolarHBondContact O-N 3.47Å; L836-V840 WeakPolarHBondContact O-CG2 3.45Å; L836-V840 PolarHBondContact O-N 2.91Å; L836-F870 HydrophobicContact CB-CB 4.1Å; L836-F870 HydrophobicContact CB-CD2 3.78Å; L836-F870 HydrophobicContact CB-CE2 4.43Å; L836-F870 HydrophobicContact CB-CG 4Å; L836-F870 HydrophobicContact CD1-CB 4.29Å; L836-F870 HydrophobicContact CD1-CD1 4.17Å; L836-F870 HydrophobicContact CD1-CG 4.08Å |
| 837 | N | 90.7 | Very high | 84.9 | Confident | 26 Ų | 26 | 40.9 Ų | 40.9 | 14% | 0.139 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.6 | -38.3 | 177.9 | -69.9 | -25 | 0 | 0 | 0 | 112 | Y541 A833 A834 V835 V840 R841 A869 F870 | Y541-N837 HydrophobicContact CE1-CB 3.86Å; A833-N837 VanDerWaalsContact O-CB 3.23Å; A833-N837 WeakPolarHBondContact O-CB 3.1Å; A833-N837 PolarHBondContact O-N 3.11Å; A833-N837 PolarHBondContact O-ND2 2.84Å; A833-N837 VanDerWaalsContact O-ND2 3.11Å; A834-N837 PolarHBondContact O-N 3.38Å; V835-N837 VanDerWaalsContact C-N 3.32Å; V835-N837 PolarHBondContact O-N 3.37Å; N837-V840 PolarHBondContact O-N 3.46Å; N837-R841 WeakPolarHBondContact O-CB 3.33Å; N837-R841 PolarHBondContact O-N 3.38Å; N837-A869 VanDerWaalsContact OD1-CA 3.31Å; N837-A869 WeakPolarHBondContact OD1-CA 3.16Å; N837-F870 PolarHBondContact ND2-O 3.05Å; N837-F870 PolarHBondContact OD1-N 3.03Å |
| 838 | A | 88.2 | Confident | 86.6 | Confident | 20 Ų | 20 | 39.1 Ų | 39.1 | 17% | 0.165 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.6 | -43.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111 | T538 Y541 A834 V835 V840 R841 K842 | T538-A838 HydrophobicContact CG2-CB 4.18Å; Y541-A838 HydrophobicContact CD1-CB 4.12Å; A834-A838 VanDerWaalsContact O-CB 3.3Å; A834-A838 WeakPolarHBondContact O-CB 3.28Å; A834-A838 PolarHBondContact O-N 3.34Å; V835-A838 PolarHBondContact O-N 3.09Å; A838-V840 PolarHBondContact O-N 2.94Å; A838-R841 PolarHBondContact O-N 3.01Å; A838-K842 WeakPolarHBondContact O-CB 3.4Å; A838-K842 PolarHBondContact O-N 3.29Å |
| 839 | M | 91.3 | Very high | 88.2 | Confident | 25 Ų | 25 | 36.6 Ų | 36.6 | 12% | 0.123 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.7 | -44.8 | 173 | -179.6 | -140.7 | 59.8 | 0 | 0 | 111.5 | K805 A806 L809 V835 L836 K842 N843 F870 | K805-M839 HydrophobicContact CB-CE 4.36Å; K805-M839 HydrophobicContact CB-SD 3.76Å; A806-M839 HydrophobicContact CB-CE 4.27Å; L809-M839 HydrophobicContact CD2-CB 4.43Å; L809-M839 HydrophobicContact CD2-SD 4.45Å; V835-M839 PolarHBondContact O-N 3.02Å; L836-M839 WeakPolarHBondContact O-CB 3.31Å; L836-M839 PolarHBondContact O-N 3.47Å; M839-K842 PolarHBondContact O-N 3.23Å; M839-N843 WeakPolarHBondContact O-CB 3.18Å; M839-N843 PolarHBondContact O-N 3.32Å; M839-N843 VanDerWaalsContact O-N 3.15Å; M839-N843 PolarHBondContact O-ND2 3.42Å; M839-F870 HydrophobicContact CE-CE2 4.35Å |
| 840 | V | 91.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.9 | -44.4 | 176.9 | 169.5 | 0 | 0 | 0 | 0 | 110.9 | I802 L836 N837 A838 N843 F844 N866 I868 F870 | I802-V840 HydrophobicContact CG2-CG2 4.24Å; L836-V840 WeakPolarHBondContact O-CG2 3.45Å; L836-V840 PolarHBondContact O-N 2.91Å; N837-V840 PolarHBondContact O-N 3.46Å; A838-V840 PolarHBondContact O-N 2.94Å; V840-N843 PolarHBondContact O-N 3.22Å; V840-F844 HydrophobicContact CG1-CD2 4.49Å; V840-F844 WeakPolarHBondContact O-CB 3.4Å; V840-F844 PolarHBondContact O-N 3.43Å; V840-N866 PolarHBondContact O-ND2 3.05Å; V840-I868 HydrophobicContact CG1-CB 3.74Å; V840-I868 HydrophobicContact CG1-CG2 3.73Å; V840-I868 WeakPolarHBondContact CG1-O 3.43Å; V840-F870 HydrophobicContact CG2-CD2 3.82Å; V840-F870 HydrophobicContact CG2-CE2 3.66Å |
| 841 | R | 89.1 | Confident | 90.2 | Very high | 130 Ų | 130 | 35.8 Ų | 35.8 | 49% | 0.491 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -58.7 | -50 | 175.5 | 179.2 | 175.1 | 176.4 | 144.3 | 3.9 | 111.7 | Y541 N837 A838 N843 T845 | Y541-R841 HydrophobicContact CE1-CB 4.5Å; Y541-R841 VanDerWaalsContact CE2-CD 3.45Å; N837-R841 WeakPolarHBondContact O-CB 3.33Å; N837-R841 PolarHBondContact O-N 3.38Å; A838-R841 PolarHBondContact O-N 3.01Å; R841-N843 VanDerWaalsContact C-N 3.27Å; R841-N843 PolarHBondContact O-N 2.79Å; R841-T845 WeakPolarHBondContact CA-OG1 3.47Å; R841-T845 VanDerWaalsContact O-CB 3.27Å; R841-T845 WeakPolarHBondContact O-CB 3.42Å; R841-T845 PolarHBondContact O-N 3.19Å; R841-T845 PolarHBondContact O-OG1 3.38Å |
| 842 | K | 89.7 | Confident | 90.6 | Very high | 150 Ų | 150 | 38.1 Ų | 38.1 | 65% | 0.652 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -60.4 | -35.2 | -178.3 | -171.3 | 174 | -174.7 | 173.4 | 0 | 112.8 | E534 A838 M839 | E534-K842 IonicContact OE1-NZ 2.93Å; E534-K842 PolarHBondContact OE1-NZ 3.31Å; A838-K842 WeakPolarHBondContact O-CB 3.4Å; A838-K842 PolarHBondContact O-N 3.29Å; M839-K842 PolarHBondContact O-N 3.23Å |
| 843 | N | 92.7 | Very high | 90.9 | Very high | 69 Ų | 69 | 43.2 Ų | 43.2 | 37% | 0.369 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -105.3 | -21.2 | -170.1 | -68.4 | -85.9 | 0 | 0 | 0 | 115.4 | K805 M839 V840 R841 | K805-N843 HydrophobicContact CD-CB 4.08Å; K805-N843 WeakPolarHBondContact CE-OD1 3.12Å; K805-N843 PolarHBondContact NZ-OD1 2.99Å; M839-N843 WeakPolarHBondContact O-CB 3.18Å; M839-N843 PolarHBondContact O-N 3.32Å; M839-N843 VanDerWaalsContact O-N 3.15Å; M839-N843 PolarHBondContact O-ND2 3.42Å; V840-N843 PolarHBondContact O-N 3.22Å; R841-N843 VanDerWaalsContact C-N 3.27Å; R841-N843 PolarHBondContact O-N 2.79Å |
| 844 | F | 94.9 | Very high | 91 | Very high | 26 Ų | 26 | 45.7 Ų | 45.7 | 11% | 0.114 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -130.4 | 10.7 | -169.4 | -58.8 | -80.1 | 0 | 0 | 0 | 114.1 | T597 T798 Q801 I802 K805 V840 I868 | T597-F844 WeakPolarHBondContact CG2-O 3.46Å; T798-F844 HydrophobicContact CG2-CD1 4.03Å; T798-F844 HydrophobicContact CG2-CE1 4.32Å; Q801-F844 HydrophobicContact CB-CE1 4Å; Q801-F844 HydrophobicContact CB-CZ 4.02Å; I802-F844 HydrophobicContact CB-CE2 4.27Å; I802-F844 HydrophobicContact CB-CZ 4.28Å; I802-F844 HydrophobicContact CG1-CD1 3.97Å; I802-F844 HydrophobicContact CG1-CD2 3.78Å; I802-F844 HydrophobicContact CG1-CE1 3.78Å; I802-F844 HydrophobicContact CG1-CE2 3.57Å; I802-F844 HydrophobicContact CG1-CG 3.97Å; I802-F844 HydrophobicContact CG1-CZ 3.57Å; K805-F844 HydrophobicContact CD-CE2 3.84Å; K805-F844 HydrophobicContact CD-CZ 3.83Å; V840-F844 HydrophobicContact CG1-CD2 4.49Å; V840-F844 WeakPolarHBondContact O-CB 3.4Å; V840-F844 PolarHBondContact O-N 3.43Å; F844-I868 HydrophobicContact CB-CD1 4.47Å |
| 845 | T | 95 | Very high | 90.8 | Very high | 31 Ų | 31 | 49.7 Ų | 49.7 | 19% | 0.19 | 25% | 0.254 | C | S | . | . | trans | -68.9 | 146.1 | 172.3 | -62.6 | 0 | 0 | 0 | 0 | 111.2 | R841 N866 | R841-T845 WeakPolarHBondContact CA-OG1 3.47Å; R841-T845 VanDerWaalsContact O-CB 3.27Å; R841-T845 WeakPolarHBondContact O-CB 3.42Å; R841-T845 PolarHBondContact O-N 3.19Å; R841-T845 PolarHBondContact O-OG1 3.38Å; T845-N866 HydrophobicContact CG2-CB 4.35Å; T845-N866 PolarHBondContact N-ND2 3.46Å; T845-N866 PolarHBondContact OG1-ND2 3.31Å; T845-N866 VanDerWaalsContact OG1-ND2 3.12Å | ||
| 846 | N | 95.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 97.6 | 176.8 | -176.3 | 16.9 | 0 | 0 | 0 | 111 | T597 K625 Q708 V848 S864 E865 | T597-N846 HydrophobicContact CG2-CB 4.36Å; T597-N846 WeakPolarHBondContact O-CB 3.27Å; T597-N846 PolarHBondContact O-ND2 2.78Å; K625-N846 WeakPolarHBondContact CD-OD1 3.41Å; K625-N846 VanDerWaalsContact NZ-CB 3.34Å; K625-N846 PolarHBondContact NZ-OD1 3.24Å; Q708-N846 PolarHBondContact OE1-ND2 2.9Å; N846-V848 PolarHBondContact O-N 3.49Å; N846-V848 WeakPolarHBondContact OD1-CG2 3.49Å; N846-V848 PolarHBondContact OD1-N 3.22Å; N846-S864 WeakPolarHBondContact O-CA 3.49Å; N846-E865 PolarHBondContact N-O 3.22Å; N846-E865 PolarHBondContact O-N 2.85Å |
| 847 | D | 94.8 | Very high | 90.1 | Very high | 101 Ų | 101 | 58.2 Ų | 58.2 | 54% | 0.54 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 0.5 | -177 | -57.4 | -57.3 | 0 | 0 | 0 | 114.8 | I862 S864 | D847-I862 WeakPolarHBondContact O-CG2 3.43Å; D847-S864 WeakPolarHBondContact OD1-CB 3.4Å; D847-S864 PolarHBondContact OD1-OG 2.93Å |
| 848 | V | 93.4 | Very high | 89.7 | Confident | 43 Ų | 43 | 60.5 Ų | 60.5 | 26% | 0.261 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 22.6 | -178.3 | -69.3 | 0 | 0 | 0 | 0 | 112.8 | K622 K625 Q708 N846 H850 | K622-V848 HydrophobicContact CB-CG1 4.49Å; K622-V848 WeakPolarHBondContact O-CB 3.4Å; K625-V848 HydrophobicContact CB-CG2 4.34Å; K625-V848 HydrophobicContact CD-CG2 4.3Å; Q708-V848 WeakPolarHBondContact CB-O 3.42Å; Q708-V848 HydrophobicContact CG-CG2 4.11Å; N846-V848 PolarHBondContact O-N 3.49Å; N846-V848 WeakPolarHBondContact OD1-CG2 3.49Å; N846-V848 PolarHBondContact OD1-N 3.22Å; V848-H850 PolarHBondContact O-N 3.44Å; V848-H850 PolarHBondContact O-ND1 2.85Å |
| 849 | Y | 95.1 | Very high | 89.7 | Confident | 8 Ų | 8 | 62.9 Ų | 62.9 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 110.6 | 179.6 | -164.4 | -74.8 | 0 | 0 | 0 | 110.6 | L596 R599 R719 V851 I862 K863 E865 | L596-Y849 VanDerWaalsContact O-CE2 3.26Å; L596-Y849 WeakPolarHBondContact O-CE2 3.27Å; R599-Y849 HydrophobicContact CB-CD2 4.16Å; R599-Y849 HydrophobicContact CB-CE2 3.6Å; R599-Y849 HydrophobicContact CG-CE2 3.92Å; R719-Y849 PolarHBondContact NH2-OH 3.4Å; Y849-V851 HydrophobicContact CD1-CG2 3.87Å; Y849-V851 HydrophobicContact CE1-CG2 3.99Å; Y849-I862 WeakPolarHBondContact O-CA 3.37Å; Y849-K863 WeakPolarHBondContact CB-O 3.4Å; Y849-K863 PolarHBondContact N-O 3.44Å; Y849-K863 PolarHBondContact O-N 2.95Å; Y849-E865 HydrophobicContact CD2-CB 3.69Å; Y849-E865 HydrophobicContact CD2-CG 3.86Å; Y849-E865 HydrophobicContact CE2-CB 4.42Å; Y849-E865 HydrophobicContact CE2-CG 4.1Å; Y849-E865 HydrophobicContact CG-CB 3.77Å; Y849-E865 HydrophobicContact CG-CG 4.28Å |
| 850 | H | 94.5 | Very high | 89.6 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.009 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 131 | 178.6 | -63.3 | 49.8 | 0 | 0 | 0 | 111.5 | R599 Q708 R709 V848 Y860 T861 | R599-H850 PolarHBondContact NH1-O 2.79Å; Q708-H850 VanDerWaalsContact O-CB 3.24Å; Q708-H850 WeakPolarHBondContact O-CB 3.32Å; Q708-H850 PolarHBondContact O-N 3.16Å; R709-H850 PolarHBondContact NE-CD2 3.05Å; R709-H850 PolarHBondContact NH2-CD2 3.37Å; R709-H850 VanDerWaalsContact NH2-CD2 3.28Å; R709-H850 PolarHBondContact NH2-NE2 3.04Å; V848-H850 PolarHBondContact O-N 3.44Å; V848-H850 PolarHBondContact O-ND1 2.85Å; H850-Y860 HydrophobicContact CB-CD1 4.03Å; H850-T861 CarbonylContact C-O 3.58Å; H850-T861 WeakPolarHBondContact CA-O 3.43Å |
| 851 | V | 91.8 | Very high | 89.7 | Confident | 48 Ų | 48 | 66.5 Ų | 66.5 | 29% | 0.291 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 131.2 | 173.4 | -176.1 | 0 | 0 | 0 | 0 | 108.3 | Y849 E853 Y860 T861 K863 | Y849-V851 HydrophobicContact CD1-CG2 3.87Å; Y849-V851 HydrophobicContact CE1-CG2 3.99Å; V851-E853 PolarHBondContact O-N 3.2Å; V851-Y860 CarbonylContact O-C 3.57Å; V851-Y860 WeakPolarHBondContact O-CA 3.16Å; V851-T861 PolarHBondContact N-O 3.08Å; V851-T861 PolarHBondContact O-N 3.22Å; V851-K863 HydrophobicContact CG2-CD 3.93Å; V851-K863 HydrophobicContact CG2-CG 4.13Å |
| 852 | L | 89.6 | Confident | 89.9 | Confident | 66 Ų | 66 | 64 Ų | 64 | 35% | 0.346 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 111.7 | 173.8 | 178.1 | 64.1 | 0 | 0 | 0 | 108.3 | P855 Y860 | L852-P855 HydrophobicContact CD2-CB 4.26Å; L852-P855 HydrophobicContact CD2-CG 4.34Å; L852-Y860 HydrophobicContact CB-CD1 4.01Å; L852-Y860 HydrophobicContact CB-CE1 3.67Å; L852-Y860 HydrophobicContact CD1-CD1 4.31Å; L852-Y860 HydrophobicContact CD1-CD2 4.3Å; L852-Y860 HydrophobicContact CD1-CE1 3.88Å; L852-Y860 HydrophobicContact CD1-CE2 3.85Å; L852-Y860 HydrophobicContact CG-CE1 4.31Å |
| 853 | E | 85.9 | Confident | 90 | Very high | 126 Ų | 126 | 61.3 Ų | 61.3 | 59% | 0.589 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -46.5 | 179.6 | -77.6 | -171.1 | 173.2 | 0 | 0 | 112.2 | V851 T859 T861 | V851-E853 PolarHBondContact O-N 3.2Å; E853-T859 PolarHBondContact N-O 2.74Å; E853-T861 VanDerWaalsContact CD-OG1 3.26Å; E853-T861 HydrophobicContact CG-CG2 4.12Å; E853-T861 WeakPolarHBondContact CG-OG1 3.48Å; E853-T861 WeakPolarHBondContact OE1-CB 3.36Å; E853-T861 WeakPolarHBondContact OE1-CG2 3.23Å; E853-T861 PolarHBondContact OE1-OG1 2.94Å; E853-T861 WeakPolarHBondContact OE2-CG2 3.07Å |
| 854 | N | 83.9 | Confident | 90 | Very high | 67 Ų | 67 | 61.7 Ų | 61.7 | 36% | 0.358 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 104.3 | 178.5 | -172.4 | -28.5 | 0 | 0 | 0 | 109.7 | V856 A857 K858 T859 | N854-V856 PolarHBondContact O-N 2.89Å; N854-V856 WeakPolarHBondContact OD1-CB 3.27Å; N854-V856 PolarHBondContact OD1-N 2.96Å; N854-A857 HydrophobicContact CB-CB 4.04Å; N854-A857 PolarHBondContact OD1-N 3.25Å; N854-K858 WeakPolarHBondContact O-CA 3.45Å; N854-K858 PolarHBondContact O-N 3.07Å; N854-T859 VanDerWaalsContact CB-OG1 3.32Å; N854-T859 WeakPolarHBondContact CB-OG1 3.49Å; N854-T859 PolarHBondContact O-N 3.39Å |
| 855 | P | 81 | Confident | 89.9 | Confident | 88 Ų | 88 | 61.5 Ų | 61.5 | 57% | 0.571 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -29.7 | 178.8 | -24.2 | 34.1 | 0 | 0 | 0 | 114.2 | L852 K858 | L852-P855 HydrophobicContact CD2-CB 4.26Å; L852-P855 HydrophobicContact CD2-CG 4.34Å; P855-K858 WeakPolarHBondContact O-CG 3.06Å |
| 856 | V | 79.7 | Confident | 89.8 | Confident | 135 Ų | 135 | 62 Ų | 62 | 82% | 0.818 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -50.6 | -178.7 | -177 | 0 | 0 | 0 | 0 | 110.3 | N854 K858 | N854-V856 PolarHBondContact O-N 2.89Å; N854-V856 WeakPolarHBondContact OD1-CB 3.27Å; N854-V856 PolarHBondContact OD1-N 2.96Å; V856-K858 VanDerWaalsContact C-N 3.25Å; V856-K858 PolarHBondContact O-N 3.23Å |
| 857 | A | 83.2 | Confident | 89.5 | Confident | 61 Ų | 61 | 63.4 Ų | 63.4 | 50% | 0.504 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -13.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | N854 T859 | N854-A857 HydrophobicContact CB-CB 4.04Å; N854-A857 PolarHBondContact OD1-N 3.25Å; A857-T859 VanDerWaalsContact C-N 3.26Å; A857-T859 HydrophobicContact CB-CG2 3.93Å; A857-T859 PolarHBondContact O-N 2.99Å |
| 858 | K | 83.5 | Confident | 89.4 | Confident | 75 Ų | 75 | 58.8 Ų | 58.8 | 33% | 0.326 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 41.3 | -174.8 | -60.9 | 176.5 | 179.7 | 141 | 0 | 113 | S117 Y616 N854 P855 V856 Y860 | S117-K858 PolarHBondContact O-NZ 3.12Å; Y616-K858 WeakPolarHBondContact OH-CB 3.36Å; Y616-K858 PolarHBondContact OH-O 2.99Å; N854-K858 WeakPolarHBondContact O-CA 3.45Å; N854-K858 PolarHBondContact O-N 3.07Å; P855-K858 WeakPolarHBondContact O-CG 3.06Å; V856-K858 VanDerWaalsContact C-N 3.25Å; V856-K858 PolarHBondContact O-N 3.23Å; K858-Y860 WeakPolarHBondContact O-CD2 3.5Å; K858-Y860 WeakPolarHBondContact O-CE2 2.91Å |
| 859 | T | 87.1 | Confident | 89.1 | Confident | 69 Ų | 69 | 58.5 Ų | 58.5 | 42% | 0.423 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 137.5 | 176.3 | 56.4 | 0 | 0 | 0 | 0 | 110.5 | E853 N854 A857 | E853-T859 PolarHBondContact N-O 2.74Å; N854-T859 VanDerWaalsContact CB-OG1 3.32Å; N854-T859 WeakPolarHBondContact CB-OG1 3.49Å; N854-T859 PolarHBondContact O-N 3.39Å; A857-T859 VanDerWaalsContact C-N 3.26Å; A857-T859 HydrophobicContact CB-CG2 3.93Å; A857-T859 PolarHBondContact O-N 2.99Å |
| 860 | Y | 89.7 | Confident | 88.8 | Confident | 50 Ų | 50 | 58.8 Ų | 58.8 | 20% | 0.196 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 139.2 | -177.6 | -67.4 | -98.3 | 0 | 0 | 0 | 110.5 | Y616 R709 H850 V851 L852 K858 | Y616-Y860 HydrophobicContact CE2-CE2 4.43Å; R709-Y860 HydrophobicContact CG-CD1 3.79Å; R709-Y860 HydrophobicContact CG-CD2 4.2Å; R709-Y860 HydrophobicContact CG-CE1 3.4Å; R709-Y860 HydrophobicContact CG-CE2 3.87Å; R709-Y860 HydrophobicContact CG-CG 4.17Å; R709-Y860 VanDerWaalsContact CG-CZ 3.45Å; H850-Y860 HydrophobicContact CB-CD1 4.03Å; V851-Y860 CarbonylContact O-C 3.57Å; V851-Y860 WeakPolarHBondContact O-CA 3.16Å; L852-Y860 HydrophobicContact CB-CD1 4.01Å; L852-Y860 HydrophobicContact CB-CE1 3.67Å; L852-Y860 HydrophobicContact CD1-CD1 4.31Å; L852-Y860 HydrophobicContact CD1-CD2 4.3Å; L852-Y860 HydrophobicContact CD1-CE1 3.88Å; L852-Y860 HydrophobicContact CD1-CE2 3.85Å; L852-Y860 HydrophobicContact CG-CE1 4.31Å; K858-Y860 WeakPolarHBondContact O-CD2 3.5Å; K858-Y860 WeakPolarHBondContact O-CE2 2.91Å |
| 861 | T | 92.5 | Very high | 88 | Confident | 52 Ų | 52 | 63.3 Ų | 63.3 | 32% | 0.319 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 146.9 | 165.9 | 49.7 | 0 | 0 | 0 | 0 | 110.3 | H850 V851 E853 | H850-T861 CarbonylContact C-O 3.58Å; H850-T861 WeakPolarHBondContact CA-O 3.43Å; V851-T861 PolarHBondContact N-O 3.08Å; V851-T861 PolarHBondContact O-N 3.22Å; E853-T861 VanDerWaalsContact CD-OG1 3.26Å; E853-T861 HydrophobicContact CG-CG2 4.12Å; E853-T861 WeakPolarHBondContact CG-OG1 3.48Å; E853-T861 WeakPolarHBondContact OE1-CB 3.36Å; E853-T861 WeakPolarHBondContact OE1-CG2 3.23Å; E853-T861 PolarHBondContact OE1-OG1 2.94Å; E853-T861 WeakPolarHBondContact OE2-CG2 3.07Å |
| 862 | I | 93.4 | Very high | 87.3 | Confident | 77 Ų | 77 | 62.9 Ų | 62.9 | 40% | 0.395 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 127.9 | 177.8 | -56.4 | 178.3 | 0 | 0 | 0 | 107.2 | K622 D847 Y849 | K622-I862 HydrophobicContact CB-CD1 4.04Å; K622-I862 HydrophobicContact CD-CD1 4.02Å; D847-I862 WeakPolarHBondContact O-CG2 3.43Å; Y849-I862 WeakPolarHBondContact O-CA 3.37Å |
| 863 | K | 93.4 | Very high | 86.6 | Confident | 94 Ų | 94 | 63.9 Ų | 63.9 | 41% | 0.409 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 159.2 | 175.7 | 67.2 | 173.5 | -167.8 | 157.9 | 0 | 111.2 | Y849 V851 E865 | Y849-K863 WeakPolarHBondContact CB-O 3.4Å; Y849-K863 PolarHBondContact N-O 3.44Å; Y849-K863 PolarHBondContact O-N 2.95Å; V851-K863 HydrophobicContact CG2-CD 3.93Å; V851-K863 HydrophobicContact CG2-CG 4.13Å; K863-E865 WeakPolarHBondContact CE-OE2 3.27Å; K863-E865 IonicContact NZ-OE2 4Å; K863-E865 PolarHBondContact NZ-OE2 2.88Å |
| 864 | S | 91.8 | Very high | 86.3 | Confident | 76 Ų | 76 | 58.8 Ų | 58.8 | 53% | 0.531 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 124.5 | 166.5 | -60.5 | 0 | 0 | 0 | 0 | 109.9 | N846 D847 | N846-S864 WeakPolarHBondContact O-CA 3.49Å; D847-S864 WeakPolarHBondContact OD1-CB 3.4Å; D847-S864 PolarHBondContact OD1-OG 2.93Å |
| 865 | E | 93.4 | Very high | 86.3 | Confident | 22 Ų | 22 | 57.4 Ų | 57.4 | 10% | 0.103 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 132.9 | 178.7 | -176.2 | 76.2 | -173.9 | 0 | 0 | 110.1 | T597 N846 Y849 K863 T867 | T597-E865 WeakPolarHBondContact CG2-O 3.44Å; N846-E865 PolarHBondContact N-O 3.22Å; N846-E865 PolarHBondContact O-N 2.85Å; Y849-E865 HydrophobicContact CD2-CB 3.69Å; Y849-E865 HydrophobicContact CD2-CG 3.86Å; Y849-E865 HydrophobicContact CE2-CB 4.42Å; Y849-E865 HydrophobicContact CE2-CG 4.1Å; Y849-E865 HydrophobicContact CG-CB 3.77Å; Y849-E865 HydrophobicContact CG-CG 4.28Å; K863-E865 WeakPolarHBondContact CE-OE2 3.27Å; K863-E865 IonicContact NZ-OE2 4Å; K863-E865 PolarHBondContact NZ-OE2 2.88Å; E865-T867 WeakPolarHBondContact OE1-CG2 3.32Å |
| 866 | N | 92.8 | Very high | 86.7 | Confident | 42 Ų | 42 | 54.1 Ų | 54.1 | 23% | 0.225 | 31% | 0.307 | C | S | . | . | trans | -155.1 | 121.4 | 166.6 | -165.5 | -23.1 | 0 | 0 | 0 | 109.9 | T597 V840 T845 I868 | T597-N866 HydrophobicContact CG2-CB 4.35Å; V840-N866 PolarHBondContact O-ND2 3.05Å; T845-N866 HydrophobicContact CG2-CB 4.35Å; T845-N866 PolarHBondContact N-ND2 3.46Å; T845-N866 PolarHBondContact OG1-ND2 3.31Å; T845-N866 VanDerWaalsContact OG1-ND2 3.12Å; N866-I868 WeakPolarHBondContact OD1-CB 3.16Å; N866-I868 PolarHBondContact OD1-N 2.86Å | ||
| 867 | T | 89.4 | Confident | 87.3 | Confident | 30 Ų | 30 | 49.5 Ų | 49.5 | 18% | 0.184 | 28% | 0.277 | C | S | . | . | trans | -116.2 | 5 | 179.2 | 54.5 | 0 | 0 | 0 | 0 | 112.6 | N593 T597 E865 | N593-T867 WeakPolarHBondContact CB-O 3.38Å; N593-T867 PolarHBondContact ND2-O 3.06Å; N593-T867 VanDerWaalsContact ND2-O 3.12Å; N593-T867 PolarHBondContact O-OG1 2.95Å; N593-T867 VanDerWaalsContact O-OG1 3.12Å; T597-T867 PolarHBondContact OG1-N 3.08Å; T597-T867 PolarHBondContact OG1-OG1 3.28Å; E865-T867 WeakPolarHBondContact OE1-CG2 3.32Å | ||
| 868 | I | 92.3 | Very high | 87.6 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.015 | 25% | 0.253 | C | S | . | . | trans | -85.6 | 121.9 | -177.9 | -55.2 | 162.8 | 0 | 0 | 0 | 107.6 | V587 N593 I594 T597 I802 V840 F844 N866 | V587-I868 HydrophobicContact CG1-CG2 3.65Å; N593-I868 HydrophobicContact CB-CG1 4.03Å; I594-I868 HydrophobicContact CB-CD1 4.5Å; I594-I868 HydrophobicContact CG1-CD1 3.78Å; I594-I868 HydrophobicContact CG1-CG1 4.21Å; T597-I868 HydrophobicContact CG2-CD1 4.2Å; I802-I868 HydrophobicContact CD1-CD1 4.01Å; I802-I868 HydrophobicContact CD1-CG2 4.06Å; V840-I868 HydrophobicContact CG1-CB 3.74Å; V840-I868 HydrophobicContact CG1-CG2 3.73Å; V840-I868 WeakPolarHBondContact CG1-O 3.43Å; F844-I868 HydrophobicContact CB-CD1 4.47Å; N866-I868 WeakPolarHBondContact OD1-CB 3.16Å; N866-I868 PolarHBondContact OD1-N 2.86Å | ||
| 869 | A | 87.5 | Confident | 88 | Confident | 38 Ų | 38 | 45.2 Ų | 45.2 | 31% | 0.314 | 25% | 0.248 | S | C | . | . | trans | -140.6 | 142.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | G588 N837 | G588-A869 PolarHBondContact N-O 3.47Å; N837-A869 VanDerWaalsContact OD1-CA 3.31Å; N837-A869 WeakPolarHBondContact OD1-CA 3.16Å | ||
| 870 | F | 87.6 | Confident | 88.1 | Confident | 13 Ų | 13 | 42 Ų | 42 | 6% | 0.057 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 135.9 | 164.7 | -80.8 | -90 | 0 | 0 | 0 | 110.3 | L585 D586 V587 I802 A806 L836 N837 M839 V840 | L585-F870 HydrophobicContact CB-CD1 4.37Å; D586-F870 CarbonylContact O-C 3.46Å; D586-F870 VanDerWaalsContact O-CA 3.24Å; D586-F870 WeakPolarHBondContact O-CA 3.28Å; D586-F870 WeakPolarHBondContact O-CD1 3.33Å; V587-F870 HydrophobicContact CG2-CD1 3.73Å; V587-F870 HydrophobicContact CG2-CD2 4.16Å; V587-F870 HydrophobicContact CG2-CE1 3.36Å; V587-F870 HydrophobicContact CG2-CE2 3.83Å; V587-F870 HydrophobicContact CG2-CG 4.12Å; V587-F870 HydrophobicContact CG2-CZ 3.41Å; V587-F870 VanDerWaalsContact CG2-CZ 3.41Å; I802-F870 HydrophobicContact CG2-CE2 3.83Å; I802-F870 HydrophobicContact CG2-CZ 3.95Å; A806-F870 HydrophobicContact CB-CE1 4.25Å; A806-F870 HydrophobicContact CB-CE2 4.07Å; A806-F870 HydrophobicContact CB-CZ 3.5Å; L836-F870 HydrophobicContact CB-CB 4.1Å; L836-F870 HydrophobicContact CB-CD2 3.78Å; L836-F870 HydrophobicContact CB-CE2 4.43Å; L836-F870 HydrophobicContact CB-CG 4Å; L836-F870 HydrophobicContact CD1-CB 4.29Å; L836-F870 HydrophobicContact CD1-CD1 4.17Å; L836-F870 HydrophobicContact CD1-CG 4.08Å; N837-F870 PolarHBondContact ND2-O 3.05Å; N837-F870 PolarHBondContact OD1-N 3.03Å; M839-F870 HydrophobicContact CE-CE2 4.35Å; V840-F870 HydrophobicContact CG2-CD2 3.82Å; V840-F870 HydrophobicContact CG2-CE2 3.66Å |
| 871 | E | 77.9 | Confident | 88.1 | Confident | 98 Ų | 98 | 40.8 Ų | 40.8 | 46% | 0.458 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 135.9 | 166.4 | -64.5 | 177.2 | -161.4 | 0 | 0 | 107.2 | D586 G588 | D586-E871 PolarHBondContact N-O 2.86Å; D586-E871 PolarHBondContact O-N 3.48Å; G588-E871 WeakPolarHBondContact CA-OE1 3.19Å |
| 872 | I | 77.2 | Confident | 88.1 | Confident | 39 Ų | 39 | 38.8 Ų | 38.8 | 20% | 0.2 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 123 | 177.1 | -61 | -167 | 0 | 0 | 0 | 108.6 | Y583 L585 I817 P832 A833 | Y583-I872 HydrophobicContact CD1-CG2 3.38Å; Y583-I872 HydrophobicContact CE1-CG2 3.97Å; Y583-I872 HydrophobicContact CG-CG2 3.9Å; L585-I872 HydrophobicContact CD2-CB 4.36Å; L585-I872 HydrophobicContact CD2-CD1 3.72Å; L585-I872 HydrophobicContact CD2-CG1 3.61Å; L585-I872 HydrophobicContact CD2-CG2 4.2Å; I817-I872 HydrophobicContact CG2-CD1 4.44Å; P832-I872 HydrophobicContact CB-CD1 3.87Å; A833-I872 HydrophobicContact CB-CD1 3.67Å; A833-I872 HydrophobicContact CB-CG1 3.82Å; A833-I872 VanDerWaalsContact N-CD1 3.27Å |
| 873 | D | 75.8 | Confident | 87.9 | Confident | 86 Ų | 86 | 35.4 Ų | 35.4 | 46% | 0.46 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 137 | 178.1 | -168.9 | 18.6 | 0 | 0 | 0 | 110.7 | Y583 H584 Y876 | Y583-D873 WeakPolarHBondContact CA-O 3.37Å; Y583-D873 WeakPolarHBondContact CD1-O 3.16Å; H584-D873 HydrophobicContact CB-CB 4.31Å; H584-D873 PolarHBondContact N-O 2.71Å; H584-D873 PolarHBondContact O-N 3.41Å; D873-Y876 VanDerWaalsContact CG-OH 3.22Å; D873-Y876 PolarHBondContact OD2-OH 2.81Å |
| 874 | G | 78.7 | Confident | 87.6 | Confident | 19 Ų | 19 | 31.6 Ų | 31.6 | 20% | 0.196 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 114.1 | -166.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y583 K819 | Y583-G874 VanDerWaalsContact CE1-C 3.43Å; K819-G874 PolarHBondContact NZ-O 3.38Å |
| 875 | P | 84.5 | Confident | 87.2 | Confident | 38 Ų | 38 | 32.4 Ų | 32.4 | 25% | 0.247 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -75.6 | 154 | 12.2 | 29.2 | -34.3 | 0 | 0 | 0 | 113.9 | L581 I582 Y583 F900 | L581-P875 HydrophobicContact CD2-CB 4.24Å; I582-P875 CarbonylContact O-C 3.58Å; I582-P875 VanDerWaalsContact O-CA 3.29Å; I582-P875 WeakPolarHBondContact O-CA 3.48Å; Y583-P875 HydrophobicContact CD1-CB 4.42Å; Y583-P875 HydrophobicContact CE1-CB 3.85Å; Y583-P875 HydrophobicContact CE1-CG 4.27Å; Y583-P875 VanDerWaalsContact CE1-N 3.28Å; Y583-P875 HydrophobicContact CE2-CB 4.26Å; P875-F900 HydrophobicContact CB-CE2 4.26Å; P875-F900 HydrophobicContact CG-CE2 4.12Å; P875-F900 WeakPolarHBondContact O-CE2 3.26Å |
| 876 | Y | 89.7 | Confident | 86.7 | Confident | 19 Ų | 19 | 36.4 Ų | 36.4 | 8% | 0.075 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 152.8 | 175.8 | -65.5 | -68.9 | 0 | 0 | 0 | 111.3 | I582 H584 D873 V897 Y898 A905 | I582-Y876 PolarHBondContact O-N 2.84Å; H584-Y876 HydrophobicContact CB-CE2 3.84Å; D873-Y876 VanDerWaalsContact CG-OH 3.22Å; D873-Y876 PolarHBondContact OD2-OH 2.81Å; Y876-V897 HydrophobicContact CD1-CG1 3.3Å; Y876-V897 HydrophobicContact CD2-CG1 3.55Å; Y876-V897 HydrophobicContact CE1-CG1 3.69Å; Y876-V897 HydrophobicContact CE2-CG1 3.94Å; Y876-V897 HydrophobicContact CG-CG1 3.19Å; Y876-Y898 CarbonylContact C-O 3.54Å; Y876-Y898 WeakPolarHBondContact CB-O 3.43Å; Y876-A905 HydrophobicContact CD1-CB 4.14Å; Y876-A905 HydrophobicContact CE1-CB 3.68Å |
| 877 | Q | 91.3 | Very high | 86 | Confident | 38 Ų | 38 | 41 Ų | 41 | 18% | 0.178 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -70.2 | -44.6 | 178.1 | -174.3 | -173.3 | 18.6 | 0 | 0 | 111.6 | K514 A515 Y898 N899 F900 | K514-Q877 WeakPolarHBondContact CA-O 3.13Å; A515-Q877 PolarHBondContact N-O 3.24Å; Q877-Y898 PolarHBondContact N-O 3.25Å; Q877-N899 WeakPolarHBondContact CB-O 3.34Å; Q877-N899 PolarHBondContact OE1-O 3.38Å; Q877-F900 HydrophobicContact CB-CD1 4.16Å; Q877-F900 HydrophobicContact CB-CE1 4.43Å; Q877-F900 HydrophobicContact CB-CG 4.26Å; Q877-F900 HydrophobicContact CG-CD1 4.29Å |
| 878 | A | 91.2 | Very high | 85.1 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 150.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F513 K514 V897 Y898 L933 | F513-A878 CarbonylContact O-C 3.45Å; F513-A878 WeakPolarHBondContact O-CA 3.23Å; K514-A878 HydrophobicContact CG-CB 4Å; A878-V897 WeakPolarHBondContact O-CA 3.43Å; A878-Y898 HydrophobicContact CB-CD2 3.99Å; A878-Y898 PolarHBondContact O-N 2.85Å; A878-L933 HydrophobicContact CB-CD2 3.75Å |
| 879 | M | 90.7 | Very high | 84.3 | Confident | 47 Ų | 47 | 50.4 Ų | 50.4 | 23% | 0.232 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 133.1 | 169.9 | -174.7 | 178.4 | -163.4 | 0 | 0 | 110.2 | F513 I582 L881 Y895 A896 V897 | F513-M879 PolarHBondContact N-O 3.32Å; F513-M879 PolarHBondContact O-N 2.62Å; I582-M879 HydrophobicContact CD1-CB 4.47Å; I582-M879 HydrophobicContact CG2-CB 3.84Å; I582-M879 HydrophobicContact CG2-SD 4.49Å; M879-L881 HydrophobicContact CE-CD2 3.8Å; M879-L881 HydrophobicContact CE-CG 4.42Å; M879-L881 HydrophobicContact CG-CG 4.41Å; M879-Y895 HydrophobicContact CE-CD2 4.16Å; M879-Y895 HydrophobicContact CE-CG 3.96Å; M879-A896 CarbonylContact C-O 3.47Å; M879-A896 VanDerWaalsContact CA-O 3.27Å; M879-A896 WeakPolarHBondContact CA-O 2.87Å; M879-V897 HydrophobicContact CE-CG2 4.35Å; M879-V897 HydrophobicContact CG-CG2 4.04Å |
| 880 | V | 90.3 | Very high | 83.5 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 122.7 | -180 | -177.9 | 0 | 0 | 0 | 0 | 109.8 | V512 Y895 A896 Y898 F932 L1084 | V512-V880 HydrophobicContact CG1-CG2 4.38Å; V512-V880 HydrophobicContact CG2-CG1 4.5Å; V880-Y895 VanDerWaalsContact O-CA 3.3Å; V880-Y895 WeakPolarHBondContact O-CA 3.29Å; V880-A896 HydrophobicContact CB-CB 4.25Å; V880-A896 PolarHBondContact N-O 2.94Å; V880-A896 PolarHBondContact O-N 2.87Å; V880-A896 VanDerWaalsContact O-N 3.07Å; V880-Y898 HydrophobicContact CG2-CE2 4.08Å; V880-F932 HydrophobicContact CB-CD2 4.46Å; V880-F932 HydrophobicContact CG1-CD2 4.04Å; V880-F932 HydrophobicContact CG1-CE1 4.24Å; V880-F932 HydrophobicContact CG1-CE2 3.68Å; V880-F932 HydrophobicContact CG1-CG 4.48Å; V880-F932 HydrophobicContact CG1-CZ 3.78Å; V880-F932 HydrophobicContact CG2-CB 3.99Å; V880-F932 HydrophobicContact CG2-CD1 4.29Å; V880-F932 HydrophobicContact CG2-CD2 3.75Å; V880-F932 HydrophobicContact CG2-CE2 4.28Å; V880-F932 HydrophobicContact CG2-CG 3.77Å; V880-L1084 HydrophobicContact CG1-CD1 4.09Å |
| 881 | L | 89.9 | Confident | 82.6 | Confident | 25 Ų | 25 | 53.3 Ų | 53.3 | 13% | 0.131 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 110.6 | -178.3 | -68.3 | 177.9 | 0 | 0 | 0 | 110.1 | C510 G511 F513 M879 | C510-L881 CarbonylContact C-O 3.55Å; C510-L881 WeakPolarHBondContact CA-O 3.29Å; C510-L881 WeakPolarHBondContact CB-O 3.48Å; G511-L881 PolarHBondContact N-O 3.08Å; G511-L881 PolarHBondContact O-N 3.41Å; F513-L881 HydrophobicContact CD2-CD1 4.39Å; F513-L881 HydrophobicContact CE2-CD1 3.9Å; F513-L881 HydrophobicContact CE2-CG 4.44Å; M879-L881 HydrophobicContact CE-CD2 3.8Å; M879-L881 HydrophobicContact CE-CG 4.42Å; M879-L881 HydrophobicContact CG-CG 4.41Å |
| 882 | P | 90.7 | Very high | 82 | Confident | 9 Ų | 9 | 53.6 Ų | 53.6 | 6% | 0.058 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 162.1 | 178.2 | 30.9 | -31.1 | 0 | 0 | 0 | 111.6 | C510 L891 R894 F910 L1084 | C510-P882 WeakPolarHBondContact CB-O 3.48Å; P882-L891 HydrophobicContact CB-CD1 4.08Å; P882-L891 HydrophobicContact CG-CD1 3.89Å; P882-R894 VanDerWaalsContact CD-O 3.28Å; P882-R894 WeakPolarHBondContact CD-O 3.36Å; P882-R894 HydrophobicContact CG-CB 3.61Å; P882-F910 HydrophobicContact CB-CE1 4.09Å; P882-F910 HydrophobicContact CB-CZ 4.33Å; P882-F910 HydrophobicContact CG-CE1 3.8Å; P882-F910 HydrophobicContact CG-CZ 3.72Å; P882-L1084 HydrophobicContact CB-CD1 4.28Å |
| 883 | S | 89.6 | Confident | 81.6 | Confident | 7 Ų | 7 | 57.9 Ų | 57.9 | 5% | 0.049 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -101.4 | 160.9 | 175.1 | 82.8 | 0 | 0 | 0 | 0 | 112.5 | C510 L891 K1083 I1087 | C510-S883 VanDerWaalsContact SG-CB 3.57Å; S883-L891 WeakPolarHBondContact O-CD1 3.42Å; S883-K1083 PolarHBondContact N-O 3Å; S883-K1083 WeakPolarHBondContact O-CB 3.49Å; S883-K1083 WeakPolarHBondContact O-CG 3.46Å; S883-K1083 PolarHBondContact OG-O 3.21Å; S883-I1087 VanDerWaalsContact OG-CB 3.26Å; S883-I1087 WeakPolarHBondContact OG-CB 3.33Å; S883-I1087 VanDerWaalsContact OG-CG2 3.26Å; S883-I1087 WeakPolarHBondContact OG-CG2 3.43Å |
| 884 | A | 86.9 | Confident | 81.8 | Confident | 13 Ų | 13 | 55.5 Ų | 55.5 | 11% | 0.107 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 157.6 | 162 | 0 | 0 | 0 | 0 | 0 | 110.9 | R889 L891 | A884-R889 HydrophobicContact CB-CB 4.15Å; A884-R889 WeakPolarHBondContact CB-O 3.37Å; A884-L891 HydrophobicContact CB-CD2 4.2Å; A884-L891 HydrophobicContact CB-CG 4.22Å |
| 885 | K | 83.6 | Confident | 82.2 | Confident | 93 Ų | 93 | 56.7 Ų | 56.7 | 40% | 0.404 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -76.2 | -32 | 170.6 | -173.7 | 175.8 | -177.3 | 177 | 0 | 111.6 | L1082 W1106 | K885-L1082 HydrophobicContact CD-CD2 4.48Å; K885-L1082 HydrophobicContact CG-CD2 4.05Å; K885-W1106 PolarHBondContact O-NE1 3.32Å |
| 886 | E | 82.3 | Confident | 82.3 | Confident | 106 Ų | 106 | 54.9 Ų | 54.9 | 50% | 0.495 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -89.5 | 139.5 | -176.5 | -66.2 | 158.2 | -164.1 | 0 | 0 | 111.2 | R889 | E886-R889 HydrophobicContact CB-CB 4.2Å; E886-R889 IonicContact OE1-NH1 3.71Å; E886-R889 PolarHBondContact OE1-NH1 3.29Å; E886-R889 WeakPolarHBondContact OE2-CD 3.3Å; E886-R889 IonicContact OE2-CZ 3.59Å; E886-R889 IonicContact OE2-NE 3.53Å; E886-R889 IonicContact OE2-NH1 2.69Å; E886-R889 PolarHBondContact OE2-NH1 3.47Å |
| 887 | E | 78.9 | Confident | 82.2 | Confident | 138 Ų | 138 | 54.4 Ų | 54.4 | 65% | 0.645 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 138.8 | 175.9 | -171 | 172.9 | -164.8 | 0 | 0 | 111.3 | R889 W1106 | E887-R889 PolarHBondContact O-N 3.19Å; E887-R889 VanDerWaalsContact O-N 3.11Å; E887-W1106 HydrophobicContact CB-CB 4.05Å; E887-W1106 HydrophobicContact CB-CD2 3.79Å; E887-W1106 HydrophobicContact CB-CE3 4.21Å; E887-W1106 HydrophobicContact CB-CG 3.73Å; E887-W1106 HydrophobicContact CG-CB 4.18Å; E887-W1106 HydrophobicContact CG-CD2 4.05Å; E887-W1106 HydrophobicContact CG-CE3 3.98Å; E887-W1106 HydrophobicContact CG-CG 4.18Å; E887-W1106 VanDerWaalsContact OE2-CB 3.32Å; E887-W1106 WeakPolarHBondContact OE2-CB 3.33Å |
| 888 | G | 71.4 | Confident | 82.1 | Confident | 77 Ų | 77 | 53 Ų | 53 | 79% | 0.794 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | -12.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 889 | R | 74.5 | Confident | 81.9 | Confident | 155 Ų | 155 | 55.6 Ų | 55.6 | 59% | 0.585 | 27% | 0.272 | S | S | * | . | trans | -85.8 | 115 | 177.1 | -166.4 | 172.2 | -176.8 | -175.7 | 4.8 | 110.5 | A884 E886 E887 | A884-R889 HydrophobicContact CB-CB 4.15Å; A884-R889 WeakPolarHBondContact CB-O 3.37Å; E886-R889 HydrophobicContact CB-CB 4.2Å; E886-R889 IonicContact OE1-NH1 3.71Å; E886-R889 PolarHBondContact OE1-NH1 3.29Å; E886-R889 WeakPolarHBondContact OE2-CD 3.3Å; E886-R889 IonicContact OE2-CZ 3.59Å; E886-R889 IonicContact OE2-NE 3.53Å; E886-R889 IonicContact OE2-NH1 2.69Å; E886-R889 PolarHBondContact OE2-NH1 3.47Å; E887-R889 PolarHBondContact O-N 3.19Å; E887-R889 VanDerWaalsContact O-N 3.11Å | ||
| 890 | K | 70.5 | Confident | 81.7 | Confident | 85 Ų | 85 | 59.3 Ų | 59.3 | 37% | 0.37 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -87.9 | 145.2 | 173.9 | -68.3 | 178 | 169.5 | -167.7 | 0 | 110.9 | E506 A507 | E506-K890 HydrophobicContact CB-CB 3.77Å; E506-K890 HydrophobicContact CB-CD 4.04Å; E506-K890 HydrophobicContact CG-CB 3.86Å; E506-K890 WeakPolarHBondContact OE2-CD 3.39Å; A507-K890 WeakPolarHBondContact O-CD 3.41Å |
| 891 | L | 68 | Low | 81.3 | Confident | 27 Ų | 27 | 65.2 Ų | 65.2 | 14% | 0.141 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -84.2 | 131.5 | 178.8 | -70.9 | -177.3 | 0 | 0 | 0 | 110.8 | A507 P882 S883 A884 R894 | A507-L891 PolarHBondContact N-O 3.49Å; A507-L891 VanDerWaalsContact N-O 3.12Å; P882-L891 HydrophobicContact CB-CD1 4.08Å; P882-L891 HydrophobicContact CG-CD1 3.89Å; S883-L891 WeakPolarHBondContact O-CD1 3.42Å; A884-L891 HydrophobicContact CB-CD2 4.2Å; A884-L891 HydrophobicContact CB-CG 4.22Å; L891-R894 HydrophobicContact CB-CG 4.34Å |
| 892 | K | 66.9 | Low | 80.7 | Confident | 104 Ų | 104 | 65.6 Ų | 65.6 | 45% | 0.452 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -90.6 | 127.7 | 175.6 | 178.9 | 163.2 | -174.6 | 177.9 | 0 | 110.7 | V505 R894 | V505-K892 HydrophobicContact CB-CG 4.47Å; V505-K892 VanDerWaalsContact O-CB 3.32Å; V505-K892 WeakPolarHBondContact O-CB 3.33Å; V505-K892 WeakPolarHBondContact O-CG 3.41Å; K892-R894 PolarHBondContact O-N 3.18Å |
| 893 | K | 69.2 | Low | 80.1 | Confident | 129 Ų | 129 | 67.4 Ų | 67.4 | 56% | 0.561 | 34% | 0.341 | S | S | * | . | S | Bend | trans | 52.9 | 44.1 | 170.2 | -60.9 | -176.9 | 176.3 | -169 | 0 | 114.2 | V505 K908 G909 | V505-K893 HydrophobicContact CG1-CG 4.46Å; K893-K908 CarbonylContact O-C 3.53Å; K893-K908 WeakPolarHBondContact O-CB 3.17Å; K893-G909 WeakPolarHBondContact O-CA 3.42Å; K893-G909 PolarHBondContact O-N 3.5Å |
| 894 | R | 79.1 | Confident | 79.6 | Confident | 36 Ų | 36 | 70.6 Ų | 70.6 | 14% | 0.136 | 36% | 0.357 | C | S | . | . | trans | -118.9 | 108.8 | 173 | -54.4 | -147.4 | -168.9 | -167.8 | 13 | 110.5 | P882 L891 K892 K908 G909 E911 R914 | P882-R894 VanDerWaalsContact CD-O 3.28Å; P882-R894 WeakPolarHBondContact CD-O 3.36Å; P882-R894 HydrophobicContact CG-CB 3.61Å; L891-R894 HydrophobicContact CB-CG 4.34Å; K892-R894 PolarHBondContact O-N 3.18Å; R894-K908 VanDerWaalsContact CA-O 3.27Å; R894-K908 WeakPolarHBondContact CA-O 3.22Å; R894-G909 VanDerWaalsContact CD-O 3.28Å; R894-G909 WeakPolarHBondContact CD-O 3.25Å; R894-G909 PolarHBondContact NE-O 2.85Å; R894-G909 PolarHBondContact NH1-O 3.07Å; R894-E911 IonicContact CZ-OE1 3.12Å; R894-E911 VanDerWaalsContact NH1-CD 3.33Å; R894-E911 IonicContact NH1-OE1 3.79Å; R894-E911 PolarHBondContact NH1-OE1 3.46Å; R894-E911 IonicContact NH1-OE2 3.34Å; R894-E911 PolarHBondContact NH1-OE2 3.07Å; R894-R914 VanDerWaalsContact NH2-CZ 3.35Å | ||
| 895 | Y | 86.4 | Confident | 79.1 | Confident | 44 Ų | 44 | 72 Ų | 72 | 17% | 0.173 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 152.2 | -179.9 | 59.6 | -97.8 | 0 | 0 | 0 | 111.5 | M879 V880 V897 E906 K908 F910 | M879-Y895 HydrophobicContact CE-CD2 4.16Å; M879-Y895 HydrophobicContact CE-CG 3.96Å; V880-Y895 VanDerWaalsContact O-CA 3.3Å; V880-Y895 WeakPolarHBondContact O-CA 3.29Å; Y895-V897 HydrophobicContact CD2-CG2 3.86Å; Y895-V897 HydrophobicContact CE2-CG2 4.26Å; Y895-E906 HydrophobicContact CE2-CB 4.31Å; Y895-E906 HydrophobicContact CE2-CG 3.93Å; Y895-E906 WeakPolarHBondContact CE2-OE2 3.23Å; Y895-E906 PolarHBondContact OH-OE2 2.96Å; Y895-K908 HydrophobicContact CD1-CB 4.24Å; Y895-K908 HydrophobicContact CE1-CB 4.01Å; Y895-K908 HydrophobicContact CE1-CG 3.94Å; Y895-K908 HydrophobicContact CE2-CB 4.43Å; Y895-K908 HydrophobicContact CE2-CG 3.95Å; Y895-K908 PolarHBondContact N-O 3.26Å; Y895-K908 VanDerWaalsContact N-O 3.1Å; Y895-K908 PolarHBondContact O-N 2.99Å; Y895-F910 VanDerWaalsContact C-CE2 3.41Å |
| 896 | A | 87.4 | Confident | 78.6 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 128 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | M879 V880 Y898 L904 E906 L907 F910 | M879-A896 CarbonylContact C-O 3.47Å; M879-A896 VanDerWaalsContact CA-O 3.27Å; M879-A896 WeakPolarHBondContact CA-O 2.87Å; V880-A896 HydrophobicContact CB-CB 4.25Å; V880-A896 PolarHBondContact N-O 2.94Å; V880-A896 PolarHBondContact O-N 2.87Å; V880-A896 VanDerWaalsContact O-N 3.07Å; A896-Y898 HydrophobicContact CB-CE2 4.06Å; A896-L904 HydrophobicContact CB-CD1 4.11Å; A896-E906 CarbonylContact C-O 3.58Å; A896-E906 VanDerWaalsContact CA-O 3.32Å; A896-E906 WeakPolarHBondContact CA-O 3.47Å; A896-L907 HydrophobicContact CB-CD1 3.59Å; A896-F910 HydrophobicContact CB-CE2 3.93Å |
| 897 | V | 87.4 | Confident | 78.4 | Confident | 8 Ų | 8 | 65.6 Ų | 65.6 | 5% | 0.048 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 136.3 | -176.2 | 179 | 0 | 0 | 0 | 0 | 108.8 | Y876 A878 M879 Y895 L904 A905 E906 | Y876-V897 HydrophobicContact CD1-CG1 3.3Å; Y876-V897 HydrophobicContact CD2-CG1 3.55Å; Y876-V897 HydrophobicContact CE1-CG1 3.69Å; Y876-V897 HydrophobicContact CE2-CG1 3.94Å; Y876-V897 HydrophobicContact CG-CG1 3.19Å; A878-V897 WeakPolarHBondContact O-CA 3.43Å; M879-V897 HydrophobicContact CE-CG2 4.35Å; M879-V897 HydrophobicContact CG-CG2 4.04Å; Y895-V897 HydrophobicContact CD2-CG2 3.86Å; Y895-V897 HydrophobicContact CE2-CG2 4.26Å; V897-L904 CarbonylContact O-C 3.55Å; V897-A905 HydrophobicContact CB-CB 4.49Å; V897-A905 HydrophobicContact CG1-CB 4.22Å; V897-A905 PolarHBondContact O-N 3.31Å; V897-E906 HydrophobicContact CB-CB 4.43Å; V897-E906 PolarHBondContact N-O 3.28Å; V897-E906 PolarHBondContact O-N 3.01Å |
| 898 | Y | 88.5 | Confident | 78.3 | Confident | 8 Ų | 8 | 63.3 Ų | 63.3 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 139.3 | -176 | -58.8 | -96 | 0 | 0 | 0 | 111.5 | Y876 Q877 A878 V880 A896 S903 L904 F929 L933 | Y876-Y898 CarbonylContact C-O 3.54Å; Y876-Y898 WeakPolarHBondContact CB-O 3.43Å; Q877-Y898 PolarHBondContact N-O 3.25Å; A878-Y898 HydrophobicContact CB-CD2 3.99Å; A878-Y898 PolarHBondContact O-N 2.85Å; V880-Y898 HydrophobicContact CG2-CE2 4.08Å; A896-Y898 HydrophobicContact CB-CE2 4.06Å; Y898-S903 CarbonylContact C-O 3.5Å; Y898-S903 WeakPolarHBondContact CA-O 3.43Å; Y898-L904 HydrophobicContact CD1-CB 4.37Å; Y898-L904 HydrophobicContact CD1-CD1 3.78Å; Y898-L904 HydrophobicContact CD2-CD1 4.41Å; Y898-L904 HydrophobicContact CE1-CB 4.33Å; Y898-L904 HydrophobicContact CE1-CD1 3.33Å; Y898-L904 HydrophobicContact CE1-CG 4.41Å; Y898-L904 HydrophobicContact CE2-CD1 4.01Å; Y898-L904 HydrophobicContact CG-CD1 4.3Å; Y898-L904 VanDerWaalsContact CZ-CD1 3.45Å; Y898-F929 VanDerWaalsContact OH-CA 3.32Å; Y898-F929 WeakPolarHBondContact OH-CA 3.31Å; Y898-F929 WeakPolarHBondContact OH-CB 3.26Å; Y898-F929 WeakPolarHBondContact OH-CD1 3.48Å; Y898-F929 WeakPolarHBondContact OH-CG 2.84Å; Y898-F929 PolarHBondContact OH-O 3.49Å; Y898-L933 HydrophobicContact CD1-CD1 3.78Å; Y898-L933 HydrophobicContact CD1-CD2 4.08Å; Y898-L933 HydrophobicContact CD1-CG 4.21Å; Y898-L933 HydrophobicContact CD2-CD2 4.03Å; Y898-L933 HydrophobicContact CE1-CD1 4.21Å; Y898-L933 HydrophobicContact CE1-CG 4.44Å; Y898-L933 HydrophobicContact CG-CD1 4.28Å; Y898-L933 HydrophobicContact CG-CD2 3.77Å; Y898-L933 HydrophobicContact CG-CG 4.4Å |
| 899 | N | 87.5 | Confident | 78.4 | Confident | 55 Ų | 55 | 61 Ų | 61 | 29% | 0.294 | 31% | 0.305 | S | S | . | . | trans | -78.6 | 164.8 | 170.1 | -68.2 | -39.9 | 0 | 0 | 0 | 110.9 | Q877 D901 G902 S903 | Q877-N899 WeakPolarHBondContact CB-O 3.34Å; Q877-N899 PolarHBondContact OE1-O 3.38Å; N899-D901 WeakPolarHBondContact CB-OD1 3.38Å; N899-D901 PolarHBondContact O-N 3.47Å; N899-G902 PolarHBondContact O-N 2.84Å; N899-S903 PolarHBondContact N-O 3.05Å; N899-S903 PolarHBondContact ND2-OG 2.92Å | ||
| 900 | F | 86 | Confident | 78.8 | Confident | 125 Ų | 125 | 53.7 Ų | 53.7 | 55% | 0.548 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -17.5 | 178.5 | -78.7 | -84.5 | 0 | 0 | 0 | 114.8 | A515 P875 Q877 G902 | A515-F900 HydrophobicContact CB-CE1 4.37Å; A515-F900 HydrophobicContact CB-CZ 4.07Å; P875-F900 HydrophobicContact CB-CE2 4.26Å; P875-F900 HydrophobicContact CG-CE2 4.12Å; P875-F900 WeakPolarHBondContact O-CE2 3.26Å; Q877-F900 HydrophobicContact CB-CD1 4.16Å; Q877-F900 HydrophobicContact CB-CE1 4.43Å; Q877-F900 HydrophobicContact CB-CG 4.26Å; Q877-F900 HydrophobicContact CG-CD1 4.29Å; F900-G902 PolarHBondContact O-N 3.06Å |
| 901 | D | 82.3 | Confident | 79.2 | Confident | 126 Ų | 126 | 50 Ų | 50 | 67% | 0.674 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | 2.7 | 170.7 | 66.3 | -1.9 | 0 | 0 | 0 | 112.9 | N899 S903 | N899-D901 WeakPolarHBondContact CB-OD1 3.38Å; N899-D901 PolarHBondContact O-N 3.47Å; D901-S903 VanDerWaalsContact C-N 3.27Å; D901-S903 PolarHBondContact O-N 3.09Å; D901-S903 WeakPolarHBondContact OD1-CB 3.28Å; D901-S903 PolarHBondContact OD1-N 2.79Å; D901-S903 PolarHBondContact OD1-OG 3.38Å; D901-S903 PolarHBondContact OD2-OG 3.29Å |
| 902 | G | 77.7 | Confident | 79.5 | Confident | 32 Ų | 32 | 50.7 Ų | 50.7 | 33% | 0.33 | 27% | 0.267 | S | S | . | . | S | Bend | trans | 81.6 | -2.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | N899 F900 | N899-G902 PolarHBondContact O-N 2.84Å; F900-G902 PolarHBondContact O-N 3.06Å |
| 903 | S | 78.5 | Confident | 79.4 | Confident | 47 Ų | 47 | 49.4 Ų | 49.4 | 33% | 0.329 | 26% | 0.261 | S | S | . | . | trans | -71.9 | 141.9 | 178.2 | 69.7 | 0 | 0 | 0 | 0 | 111.6 | Y898 N899 D901 A905 | Y898-S903 CarbonylContact C-O 3.5Å; Y898-S903 WeakPolarHBondContact CA-O 3.43Å; N899-S903 PolarHBondContact N-O 3.05Å; N899-S903 PolarHBondContact ND2-OG 2.92Å; D901-S903 VanDerWaalsContact C-N 3.27Å; D901-S903 PolarHBondContact O-N 3.09Å; D901-S903 WeakPolarHBondContact OD1-CB 3.28Å; D901-S903 PolarHBondContact OD1-N 2.79Å; D901-S903 PolarHBondContact OD1-OG 3.38Å; D901-S903 PolarHBondContact OD2-OG 3.29Å; S903-A905 PolarHBondContact O-N 3.34Å; S903-A905 VanDerWaalsContact O-N 3.16Å | ||
| 904 | L | 78 | Confident | 79.1 | Confident | 74 Ų | 74 | 48.2 Ų | 48.2 | 39% | 0.387 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 101.4 | 178.1 | -172 | 73.8 | 0 | 0 | 0 | 109.8 | A896 V897 Y898 L907 | A896-L904 HydrophobicContact CB-CD1 4.11Å; V897-L904 CarbonylContact O-C 3.55Å; Y898-L904 HydrophobicContact CD1-CB 4.37Å; Y898-L904 HydrophobicContact CD1-CD1 3.78Å; Y898-L904 HydrophobicContact CD2-CD1 4.41Å; Y898-L904 HydrophobicContact CE1-CB 4.33Å; Y898-L904 HydrophobicContact CE1-CD1 3.33Å; Y898-L904 HydrophobicContact CE1-CG 4.41Å; Y898-L904 HydrophobicContact CE2-CD1 4.01Å; Y898-L904 HydrophobicContact CG-CD1 4.3Å; Y898-L904 VanDerWaalsContact CZ-CD1 3.45Å; L904-L907 HydrophobicContact CD2-CB 3.65Å; L904-L907 HydrophobicContact CD2-CD1 4.27Å; L904-L907 HydrophobicContact CD2-CD2 3.98Å; L904-L907 HydrophobicContact CD2-CG 4.16Å; L904-L907 HydrophobicContact CG-CB 4.24Å |
| 905 | A | 76.2 | Confident | 78.1 | Confident | 43 Ų | 43 | 51.1 Ų | 51.1 | 36% | 0.355 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | -45.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y876 V897 S903 | Y876-A905 HydrophobicContact CD1-CB 4.14Å; Y876-A905 HydrophobicContact CE1-CB 3.68Å; V897-A905 HydrophobicContact CB-CB 4.49Å; V897-A905 HydrophobicContact CG1-CB 4.22Å; V897-A905 PolarHBondContact O-N 3.31Å; S903-A905 PolarHBondContact O-N 3.34Å; S903-A905 VanDerWaalsContact O-N 3.16Å |
| 906 | E | 75.1 | Confident | 76.9 | Confident | 53 Ų | 53 | 49.4 Ų | 49.4 | 25% | 0.248 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 135.9 | 179.9 | -165.5 | 168 | -149 | 0 | 0 | 112.1 | Y895 A896 V897 K908 | Y895-E906 HydrophobicContact CE2-CB 4.31Å; Y895-E906 HydrophobicContact CE2-CG 3.93Å; Y895-E906 WeakPolarHBondContact CE2-OE2 3.23Å; Y895-E906 PolarHBondContact OH-OE2 2.96Å; A896-E906 CarbonylContact C-O 3.58Å; A896-E906 VanDerWaalsContact CA-O 3.32Å; A896-E906 WeakPolarHBondContact CA-O 3.47Å; V897-E906 HydrophobicContact CB-CB 4.43Å; V897-E906 PolarHBondContact N-O 3.28Å; V897-E906 PolarHBondContact O-N 3.01Å; E906-K908 VanDerWaalsContact CD-CE 3.45Å; E906-K908 HydrophobicContact CG-CG 4.1Å; E906-K908 WeakPolarHBondContact OE1-CE 3.21Å; E906-K908 IonicContact OE1-NZ 3.81Å; E906-K908 PolarHBondContact OE1-NZ 3.43Å |
| 907 | L | 77.8 | Confident | 76.6 | Confident | 11 Ų | 11 | 50.8 Ų | 50.8 | 6% | 0.058 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 114.2 | 175.1 | -173.8 | 70.7 | 0 | 0 | 0 | 110.4 | A896 L904 F910 V912 K913 F929 | A896-L907 HydrophobicContact CB-CD1 3.59Å; L904-L907 HydrophobicContact CD2-CB 3.65Å; L904-L907 HydrophobicContact CD2-CD1 4.27Å; L904-L907 HydrophobicContact CD2-CD2 3.98Å; L904-L907 HydrophobicContact CD2-CG 4.16Å; L904-L907 HydrophobicContact CG-CB 4.24Å; L907-F910 HydrophobicContact CD1-CB 4.31Å; L907-F910 HydrophobicContact CD1-CD2 3.43Å; L907-F910 VanDerWaalsContact CD1-CD2 3.43Å; L907-F910 HydrophobicContact CD1-CE2 4.01Å; L907-F910 HydrophobicContact CD1-CG 4.1Å; L907-F910 HydrophobicContact CG-CD2 4.23Å; L907-V912 HydrophobicContact CD2-CB 4.42Å; L907-V912 HydrophobicContact CD2-CG1 4.37Å; L907-K913 HydrophobicContact CD2-CD 4.48Å; L907-K913 HydrophobicContact CD2-CG 4.41Å; L907-K913 WeakPolarHBondContact O-CE 3.42Å; L907-K913 PolarHBondContact O-NZ 3.11Å; L907-F929 HydrophobicContact CD1-CD2 4.43Å; L907-F929 HydrophobicContact CD1-CE1 4.2Å; L907-F929 HydrophobicContact CD1-CE2 3.7Å; L907-F929 HydrophobicContact CD1-CZ 3.59Å; L907-F929 HydrophobicContact CD2-CE2 3.77Å; L907-F929 HydrophobicContact CD2-CZ 4.35Å; L907-F929 HydrophobicContact CG-CE2 4.41Å |
| 908 | K | 75.3 | Confident | 76.5 | Confident | 90 Ų | 90 | 50.5 Ų | 50.5 | 39% | 0.391 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 141.4 | -179.1 | -63.9 | -67.4 | 179.9 | 176 | 0 | 112 | K893 R894 Y895 E906 F910 | K893-K908 CarbonylContact O-C 3.53Å; K893-K908 WeakPolarHBondContact O-CB 3.17Å; R894-K908 VanDerWaalsContact CA-O 3.27Å; R894-K908 WeakPolarHBondContact CA-O 3.22Å; Y895-K908 HydrophobicContact CD1-CB 4.24Å; Y895-K908 HydrophobicContact CE1-CB 4.01Å; Y895-K908 HydrophobicContact CE1-CG 3.94Å; Y895-K908 HydrophobicContact CE2-CB 4.43Å; Y895-K908 HydrophobicContact CE2-CG 3.95Å; Y895-K908 PolarHBondContact N-O 3.26Å; Y895-K908 VanDerWaalsContact N-O 3.1Å; Y895-K908 PolarHBondContact O-N 2.99Å; E906-K908 VanDerWaalsContact CD-CE 3.45Å; E906-K908 HydrophobicContact CG-CG 4.1Å; E906-K908 WeakPolarHBondContact OE1-CE 3.21Å; E906-K908 IonicContact OE1-NZ 3.81Å; E906-K908 PolarHBondContact OE1-NZ 3.43Å; K908-F910 WeakPolarHBondContact O-CD2 3.38Å; K908-F910 PolarHBondContact O-N 3.35Å |
| 909 | G | 74.2 | Confident | 76.3 | Confident | 28 Ų | 28 | 53.6 Ų | 53.6 | 29% | 0.289 | 28% | 0.279 | S | S | . | . | S | Bend | trans | 74 | -9.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | K893 R894 R914 | K893-G909 WeakPolarHBondContact O-CA 3.42Å; K893-G909 PolarHBondContact O-N 3.5Å; R894-G909 VanDerWaalsContact CD-O 3.28Å; R894-G909 WeakPolarHBondContact CD-O 3.25Å; R894-G909 PolarHBondContact NE-O 2.85Å; R894-G909 PolarHBondContact NH1-O 3.07Å; G909-R914 PolarHBondContact O-NE 3.26Å |
| 910 | F | 83.2 | Confident | 76.4 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.009 | 27% | 0.266 | C | S | . | . | trans | -71.8 | 152.2 | 177.1 | -75.4 | -79.9 | 0 | 0 | 0 | 114.1 | P882 Y895 A896 L907 K908 V912 K913 F929 L1084 | P882-F910 HydrophobicContact CB-CE1 4.09Å; P882-F910 HydrophobicContact CB-CZ 4.33Å; P882-F910 HydrophobicContact CG-CE1 3.8Å; P882-F910 HydrophobicContact CG-CZ 3.72Å; Y895-F910 VanDerWaalsContact C-CE2 3.41Å; A896-F910 HydrophobicContact CB-CE2 3.93Å; L907-F910 HydrophobicContact CD1-CB 4.31Å; L907-F910 HydrophobicContact CD1-CD2 3.43Å; L907-F910 VanDerWaalsContact CD1-CD2 3.43Å; L907-F910 HydrophobicContact CD1-CE2 4.01Å; L907-F910 HydrophobicContact CD1-CG 4.1Å; L907-F910 HydrophobicContact CG-CD2 4.23Å; K908-F910 WeakPolarHBondContact O-CD2 3.38Å; K908-F910 PolarHBondContact O-N 3.35Å; F910-V912 VanDerWaalsContact C-N 3.27Å; F910-V912 PolarHBondContact O-N 3.39Å; F910-K913 PolarHBondContact O-N 2.76Å; F910-K913 VanDerWaalsContact O-N 3.13Å; F910-F929 HydrophobicContact CB-CZ 4.11Å; F910-F929 HydrophobicContact CD1-CE1 4.16Å; F910-F929 AromaticContact CD1-CZ 3.95Å; F910-F929 HydrophobicContact CD1-CZ 3.95Å; F910-F929 HydrophobicContact CD2-CZ 4.2Å; F910-F929 HydrophobicContact CE1-CE1 4.16Å; F910-F929 HydrophobicContact CE1-CZ 4.41Å; F910-F929 HydrophobicContact CG-CE1 4.34Å; F910-F929 AromaticContact CG-CZ 3.82Å; F910-F929 HydrophobicContact CG-CZ 3.82Å; F910-F929 HydrophobicContact CZ-CE1 4.33Å; F910-L1084 HydrophobicContact CE1-CD1 3.65Å; F910-L1084 HydrophobicContact CE1-CD2 4.45Å; F910-L1084 HydrophobicContact CZ-CD1 4.2Å | ||
| 911 | E | 78.6 | Confident | 76.6 | Confident | 8 Ų | 8 | 45.2 Ų | 45.2 | 4% | 0.037 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -59.8 | -28.8 | 179.9 | -77 | 77 | -173.3 | 0 | 0 | 113.6 | R894 K913 R914 E917 I921 Q925 K1083 | R894-E911 IonicContact CZ-OE1 3.12Å; R894-E911 VanDerWaalsContact NH1-CD 3.33Å; R894-E911 IonicContact NH1-OE1 3.79Å; R894-E911 PolarHBondContact NH1-OE1 3.46Å; R894-E911 IonicContact NH1-OE2 3.34Å; R894-E911 PolarHBondContact NH1-OE2 3.07Å; E911-K913 PolarHBondContact O-N 3.43Å; E911-K913 VanDerWaalsContact O-N 3.11Å; E911-R914 PolarHBondContact O-N 2.96Å; E911-E917 HydrophobicContact CB-CG 3.94Å; E911-E917 HydrophobicContact CG-CG 4.07Å; E911-I921 HydrophobicContact CB-CG2 3.95Å; E911-I921 HydrophobicContact CG-CG2 4.31Å; E911-Q925 PolarHBondContact OE2-NE2 3Å; E911-K1083 IonicContact OE1-NZ 3.25Å; E911-K1083 PolarHBondContact OE1-NZ 3.22Å |
| 912 | V | 74.8 | Confident | 76.7 | Confident | 41 Ų | 41 | 41.4 Ų | 41.4 | 25% | 0.248 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -47.3 | -40.7 | 169.3 | 171.3 | 0 | 0 | 0 | 0 | 112.1 | L907 F910 Q925 F929 | L907-V912 HydrophobicContact CD2-CB 4.42Å; L907-V912 HydrophobicContact CD2-CG1 4.37Å; F910-V912 VanDerWaalsContact C-N 3.27Å; F910-V912 PolarHBondContact O-N 3.39Å; V912-Q925 HydrophobicContact CG2-CB 3.34Å; V912-Q925 HydrophobicContact CG2-CG 4.4Å; V912-F929 HydrophobicContact CB-CE2 4.46Å; V912-F929 HydrophobicContact CG2-CE2 3.73Å; V912-F929 HydrophobicContact CG2-CZ 4.33Å |
| 913 | K | 64.9 | Low | 77.1 | Confident | 77 Ų | 77 | 42.7 Ų | 42.7 | 34% | 0.335 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -91.3 | 2.7 | -178.3 | -69.2 | -170.2 | 173.8 | 178.4 | 0 | 113.5 | P379 L907 F910 E911 | P379-K913 HydrophobicContact CB-CB 3.95Å; P379-K913 WeakPolarHBondContact CB-O 3.26Å; P379-K913 HydrophobicContact CG-CB 3.95Å; P379-K913 HydrophobicContact CG-CD 4.42Å; P379-K913 HydrophobicContact CG-CG 4.14Å; L907-K913 HydrophobicContact CD2-CD 4.48Å; L907-K913 HydrophobicContact CD2-CG 4.41Å; L907-K913 WeakPolarHBondContact O-CE 3.42Å; L907-K913 PolarHBondContact O-NZ 3.11Å; F910-K913 PolarHBondContact O-N 2.76Å; F910-K913 VanDerWaalsContact O-N 3.13Å; E911-K913 PolarHBondContact O-N 3.43Å; E911-K913 VanDerWaalsContact O-N 3.11Å |
| 914 | R | 62.4 | Low | 77.8 | Confident | 104 Ų | 104 | 40.4 Ų | 40.4 | 39% | 0.392 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -93.5 | 136.8 | -176.2 | -68.4 | -176.9 | 179.3 | -151.3 | -15 | 112.5 | R894 G909 E911 E917 K922 | R894-R914 VanDerWaalsContact NH2-CZ 3.35Å; G909-R914 PolarHBondContact O-NE 3.26Å; E911-R914 PolarHBondContact O-N 2.96Å; R914-E917 HydrophobicContact CB-CB 4.45Å; R914-K922 WeakPolarHBondContact O-CE 3.22Å |
| 915 | R | 57.6 | Low | 78.4 | Confident | 97 Ų | 97 | 37 Ų | 37 | 37% | 0.366 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 134.8 | 170.1 | -82.3 | -165.4 | 176.6 | 165 | 14.3 | 110.3 | M380 H383 E917 | M380-R915 VanDerWaalsContact C-CZ 3.45Å; M380-R915 VanDerWaalsContact C-NH2 3.34Å; M380-R915 HydrophobicContact CB-CG 3.97Å; M380-R915 VanDerWaalsContact CB-NE 3.32Å; M380-R915 PolarHBondContact O-NE 3.4Å; M380-R915 PolarHBondContact O-NH2 3.42Å; H383-R915 PolarHBondContact ND1-NH2 3.4Å; R915-E917 PolarHBondContact O-N 2.89Å |
| 916 | G | 62.5 | Low | 78.8 | Confident | 9 Ų | 9 | 38.9 Ų | 38.9 | 9% | 0.093 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | 5.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | N975 | G916-N975 WeakPolarHBondContact CA-O 3.47Š|
| 917 | E | 80 | Confident | 79.3 | Confident | 29 Ų | 29 | 38.8 Ų | 38.8 | 14% | 0.136 | 20% | 0.195 | C | C | . | . | trans | -72.4 | 147.9 | 168.3 | -168.1 | 62.5 | -96.5 | 0 | 0 | 110.5 | E911 R914 R915 Q919 I921 K922 R1076 | E911-E917 HydrophobicContact CB-CG 3.94Å; E911-E917 HydrophobicContact CG-CG 4.07Å; R914-E917 HydrophobicContact CB-CB 4.45Å; R915-E917 PolarHBondContact O-N 2.89Å; E917-Q919 PolarHBondContact O-N 3.44Å; E917-I921 HydrophobicContact CG-CB 4.17Å; E917-I921 HydrophobicContact CG-CD1 4.43Å; E917-I921 HydrophobicContact CG-CG2 4.05Å; E917-K922 WeakPolarHBondContact O-CE 3.38Å; E917-R1076 IonicContact OE1-CZ 2.97Å; E917-R1076 IonicContact OE1-NE 2.84Å; E917-R1076 IonicContact OE1-NH2 3.36Å; E917-R1076 PolarHBondContact OE1-NH2 2.83Å; E917-R1076 IonicContact OE2-NH2 3.64Å | ||
| 918 | L | 86 | Confident | 79.9 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | trans | -53.2 | 131.8 | 179.2 | -64.1 | 173 | 0 | 0 | 0 | 111 | L920 I921 K922 I972 E974 Y1073 R1076 | L918-L920 PolarHBondContact O-N 2.82Å; L918-I921 HydrophobicContact CB-CB 4.42Å; L918-I921 HydrophobicContact CB-CD1 4.19Å; L918-I921 HydrophobicContact CB-CG1 4.17Å; L918-I921 HydrophobicContact CD1-CD1 4.05Å; L918-I921 HydrophobicContact CG-CD1 4.49Å; L918-I921 PolarHBondContact O-N 3.34Å; L918-K922 PolarHBondContact O-N 2.89Å; L918-K922 VanDerWaalsContact O-N 3.13Å; L918-I972 WeakPolarHBondContact CD2-O 3.39Å; L918-E974 HydrophobicContact CD2-CG 3.47Å; L918-E974 VanDerWaalsContact CD2-CG 3.47Å; L918-E974 HydrophobicContact CG-CG 4.05Å; L918-Y1073 HydrophobicContact CD1-CD1 3.93Å; L918-Y1073 HydrophobicContact CD1-CE1 4.31Å; L918-Y1073 HydrophobicContact CD2-CD1 4.37Å; L918-Y1073 HydrophobicContact CD2-CE1 3.98Å; L918-R1076 HydrophobicContact CD1-CB 3.99Å; L918-R1076 HydrophobicContact CD1-CG 4.37Å | ||
| 919 | Q | 82.9 | Confident | 80.5 | Confident | 73 Ų | 73 | 34.6 Ų | 34.6 | 34% | 0.341 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -60.1 | -34.4 | 178.2 | -174.6 | 64.4 | 6.9 | 0 | 0 | 111.2 | E917 I921 K922 L923 E970 L971 | E917-Q919 PolarHBondContact O-N 3.44Å; Q919-I921 VanDerWaalsContact C-N 3.29Å; Q919-I921 PolarHBondContact O-N 3.39Å; Q919-K922 WeakPolarHBondContact O-CB 3.34Å; Q919-K922 PolarHBondContact O-N 3.14Å; Q919-K922 VanDerWaalsContact O-N 3.1Å; Q919-L923 HydrophobicContact CG-CD1 4.06Å; Q919-L923 HydrophobicContact CG-CG 4.25Å; Q919-L923 WeakPolarHBondContact O-CB 3.33Å; Q919-L923 WeakPolarHBondContact O-CG 3.47Å; Q919-L923 PolarHBondContact O-N 3.49Å; Q919-E970 WeakPolarHBondContact CB-O 3.37Å; Q919-L971 PolarHBondContact N-O 3.16Å |
| 920 | L | 90.4 | Very high | 80.8 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -50.8 | -46.9 | 170.1 | -175.2 | 77.4 | 0 | 0 | 0 | 112.4 | L918 F924 W952 L956 L971 L1077 | L918-L920 PolarHBondContact O-N 2.82Å; L920-F924 VanDerWaalsContact O-CB 3.28Å; L920-F924 WeakPolarHBondContact O-CB 3.5Å; L920-F924 PolarHBondContact O-N 3.43Å; L920-W952 HydrophobicContact CD1-CD2 4.38Å; L920-W952 HydrophobicContact CD1-CE3 3.4Å; L920-W952 HydrophobicContact CD1-CZ3 3.73Å; L920-W952 HydrophobicContact CG-CE3 4.47Å; L920-L956 HydrophobicContact CD2-CD1 3.73Å; L920-L956 HydrophobicContact CD2-CD2 3.76Å; L920-L956 HydrophobicContact CD2-CG 3.9Å; L920-L971 HydrophobicContact CB-CB 4.2Å; L920-L971 VanDerWaalsContact CB-O 3.27Å; L920-L971 WeakPolarHBondContact CB-O 3.22Å; L920-L971 HydrophobicContact CD1-CB 4.31Å; L920-L971 HydrophobicContact CD1-CD1 4.32Å; L920-L971 HydrophobicContact CD1-CD2 4.34Å; L920-L971 PolarHBondContact N-O 2.88Å; L920-L1077 HydrophobicContact CD2-CB 4.4Å; L920-L1077 HydrophobicContact CD2-CD2 4.21Å |
| 921 | I | 90.5 | Very high | 81.1 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.2 | -36.5 | -179.9 | -68 | 175.1 | 0 | 0 | 0 | 110.6 | E911 E917 L918 Q919 Q925 R1076 L1077 A1080 | E911-I921 HydrophobicContact CB-CG2 3.95Å; E911-I921 HydrophobicContact CG-CG2 4.31Å; E917-I921 HydrophobicContact CG-CB 4.17Å; E917-I921 HydrophobicContact CG-CD1 4.43Å; E917-I921 HydrophobicContact CG-CG2 4.05Å; L918-I921 HydrophobicContact CB-CB 4.42Å; L918-I921 HydrophobicContact CB-CD1 4.19Å; L918-I921 HydrophobicContact CB-CG1 4.17Å; L918-I921 HydrophobicContact CD1-CD1 4.05Å; L918-I921 HydrophobicContact CG-CD1 4.49Å; L918-I921 PolarHBondContact O-N 3.34Å; Q919-I921 VanDerWaalsContact C-N 3.29Å; Q919-I921 PolarHBondContact O-N 3.39Å; I921-Q925 WeakPolarHBondContact O-CB 3.37Å; I921-Q925 WeakPolarHBondContact O-CG 3.46Å; I921-Q925 PolarHBondContact O-N 2.92Å; I921-R1076 HydrophobicContact CD1-CB 4.29Å; I921-L1077 HydrophobicContact CG1-CD1 4.48Å; I921-A1080 HydrophobicContact CG2-CB 4.12Å |
| 922 | K | 84.7 | Confident | 81.7 | Confident | 46 Ų | 46 | 34.7 Ų | 34.7 | 20% | 0.2 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66 | -46.6 | 176.1 | -63.5 | -176.1 | -177.7 | 169.7 | 0 | 111.3 | R914 E917 L918 Q919 Q925 T926 | R914-K922 WeakPolarHBondContact O-CE 3.22Å; E917-K922 WeakPolarHBondContact O-CE 3.38Å; L918-K922 PolarHBondContact O-N 2.89Å; L918-K922 VanDerWaalsContact O-N 3.13Å; Q919-K922 WeakPolarHBondContact O-CB 3.34Å; Q919-K922 PolarHBondContact O-N 3.14Å; Q919-K922 VanDerWaalsContact O-N 3.1Å; K922-Q925 PolarHBondContact O-N 3.27Å; K922-T926 WeakPolarHBondContact O-CB 3.49Å; K922-T926 PolarHBondContact O-N 2.92Å; K922-T926 PolarHBondContact O-OG1 3.38Å |
| 923 | L | 86.6 | Confident | 82.4 | Confident | 58 Ų | 58 | 34.5 Ų | 34.5 | 30% | 0.304 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -64.3 | -44.6 | 177 | -70.1 | 173.4 | 0 | 0 | 0 | 111.1 | Q919 Q925 T926 S927 W952 L971 | Q919-L923 HydrophobicContact CG-CD1 4.06Å; Q919-L923 HydrophobicContact CG-CG 4.25Å; Q919-L923 WeakPolarHBondContact O-CB 3.33Å; Q919-L923 WeakPolarHBondContact O-CG 3.47Å; Q919-L923 PolarHBondContact O-N 3.49Å; L923-Q925 VanDerWaalsContact C-N 3.32Å; L923-Q925 PolarHBondContact O-N 2.95Å; L923-T926 PolarHBondContact O-N 3.28Å; L923-S927 WeakPolarHBondContact O-CB 3.42Å; L923-S927 PolarHBondContact O-N 2.96Å; L923-S927 PolarHBondContact O-OG 2.96Å; L923-W952 HydrophobicContact CB-CH2 3.71Å; L923-W952 HydrophobicContact CB-CZ2 3.67Å; L923-W952 HydrophobicContact CD1-CH2 3.94Å; L923-W952 HydrophobicContact CG-CH2 4.47Å; L923-L971 HydrophobicContact CD1-CD2 3.43Å; L923-L971 VanDerWaalsContact CD1-CD2 3.43Å |
| 924 | F | 93.2 | Very high | 83.5 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -52.4 | -50.2 | 170.5 | 165.4 | -111.1 | 0 | 0 | 0 | 111.6 | L920 S927 V928 I948 A949 W952 L1077 A1080 V1081 L1084 V1085 | L920-F924 VanDerWaalsContact O-CB 3.28Å; L920-F924 WeakPolarHBondContact O-CB 3.5Å; L920-F924 PolarHBondContact O-N 3.43Å; F924-S927 PolarHBondContact O-N 3.21Å; F924-V928 HydrophobicContact CE2-CB 4.14Å; F924-V928 HydrophobicContact CE2-CG2 4.12Å; F924-V928 HydrophobicContact CZ-CB 4.37Å; F924-V928 HydrophobicContact CZ-CG1 4.45Å; F924-V928 HydrophobicContact CZ-CG2 4.25Å; F924-V928 VanDerWaalsContact O-CB 3.26Å; F924-V928 WeakPolarHBondContact O-CB 3.48Å; F924-V928 PolarHBondContact O-N 2.59Å; F924-I948 HydrophobicContact CD2-CG2 4.32Å; F924-I948 HydrophobicContact CE2-CG2 4.49Å; F924-A949 HydrophobicContact CE2-CB 3.93Å; F924-A949 HydrophobicContact CZ-CB 4.46Å; F924-W952 HydrophobicContact CB-CG 4.15Å; F924-W952 AromaticContact CD2-CD1 3.72Å; F924-W952 HydrophobicContact CD2-CG 4.32Å; F924-L1077 HydrophobicContact CB-CD1 4.09Å; F924-L1077 HydrophobicContact CD1-CD1 4.03Å; F924-L1077 HydrophobicContact CG-CD1 3.96Å; F924-A1080 HydrophobicContact CD1-CB 4.43Å; F924-A1080 HydrophobicContact CE1-CB 4.32Å; F924-V1081 HydrophobicContact CE1-CG2 4.04Å; F924-V1081 HydrophobicContact CE2-CG2 4.14Å; F924-V1081 HydrophobicContact CZ-CB 4.47Å; F924-V1081 HydrophobicContact CZ-CG2 3.7Å; F924-L1084 HydrophobicContact CE1-CD2 4.29Å; F924-V1085 HydrophobicContact CZ-CG2 4.26Å |
| 925 | Q | 88.9 | Confident | 84.8 | Confident | 3 Ų | 3 | 33.8 Ų | 33.8 | 1% | 0.014 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65 | -40 | 178.5 | -76.8 | -169.3 | -10.1 | 0 | 0 | 112.7 | E911 V912 I921 K922 L923 V928 F929 L1084 | E911-Q925 PolarHBondContact OE2-NE2 3Å; V912-Q925 HydrophobicContact CG2-CB 3.34Å; V912-Q925 HydrophobicContact CG2-CG 4.4Å; I921-Q925 WeakPolarHBondContact O-CB 3.37Å; I921-Q925 WeakPolarHBondContact O-CG 3.46Å; I921-Q925 PolarHBondContact O-N 2.92Å; K922-Q925 PolarHBondContact O-N 3.27Å; L923-Q925 VanDerWaalsContact C-N 3.32Å; L923-Q925 PolarHBondContact O-N 2.95Å; Q925-V928 WeakPolarHBondContact O-CG1 3.37Å; Q925-V928 PolarHBondContact O-N 3.13Å; Q925-F929 HydrophobicContact CB-CE2 4.19Å; Q925-F929 HydrophobicContact CB-CZ 4.05Å; Q925-F929 WeakPolarHBondContact O-CB 3.26Å; Q925-F929 WeakPolarHBondContact O-CD1 3.35Å; Q925-F929 WeakPolarHBondContact O-CD2 3.37Å; Q925-F929 WeakPolarHBondContact O-CE2 3.49Å; Q925-F929 WeakPolarHBondContact O-CG 3.43Å; Q925-F929 PolarHBondContact O-N 2.89Å; Q925-L1084 HydrophobicContact CG-CD2 4Å |
| 926 | T | 84.5 | Confident | 86.2 | Confident | 81 Ų | 81 | 33.8 Ų | 33.8 | 50% | 0.497 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.2 | -45.2 | 175.6 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | K922 L923 | K922-T926 WeakPolarHBondContact O-CB 3.49Å; K922-T926 PolarHBondContact O-N 2.92Å; K922-T926 PolarHBondContact O-OG1 3.38Å; L923-T926 PolarHBondContact O-N 3.28Å |
| 927 | S | 86 | Confident | 87.7 | Confident | 51 Ų | 51 | 35.7 Ų | 35.7 | 36% | 0.357 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.8 | -43.8 | 177.2 | -57.3 | 0 | 0 | 0 | 0 | 111.8 | L923 F924 F929 G930 G931 I948 | L923-S927 WeakPolarHBondContact O-CB 3.42Å; L923-S927 PolarHBondContact O-N 2.96Å; L923-S927 PolarHBondContact O-OG 2.96Å; F924-S927 PolarHBondContact O-N 3.21Å; S927-F929 VanDerWaalsContact C-N 3.3Å; S927-F929 PolarHBondContact O-N 3.46Å; S927-G930 PolarHBondContact O-N 3.17Å; S927-G931 PolarHBondContact O-N 3.43Å; S927-I948 WeakPolarHBondContact O-CD1 3.49Å |
| 928 | V | 90.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.5 | -28.4 | -175.7 | 87.8 | 0 | 0 | 0 | 0 | 112.2 | F924 Q925 G930 G931 F932 V945 I948 L1084 V1085 | F924-V928 HydrophobicContact CE2-CB 4.14Å; F924-V928 HydrophobicContact CE2-CG2 4.12Å; F924-V928 HydrophobicContact CZ-CB 4.37Å; F924-V928 HydrophobicContact CZ-CG1 4.45Å; F924-V928 HydrophobicContact CZ-CG2 4.25Å; F924-V928 VanDerWaalsContact O-CB 3.26Å; F924-V928 WeakPolarHBondContact O-CB 3.48Å; F924-V928 PolarHBondContact O-N 2.59Å; Q925-V928 WeakPolarHBondContact O-CG1 3.37Å; Q925-V928 PolarHBondContact O-N 3.13Å; V928-G930 PolarHBondContact O-N 3.23Å; V928-G931 WeakPolarHBondContact O-CA 3.46Å; V928-G931 PolarHBondContact O-N 2.91Å; V928-F932 HydrophobicContact CG1-CE2 3.9Å; V928-F932 HydrophobicContact CG2-CE2 4.27Å; V928-F932 HydrophobicContact CG2-CZ 4.36Å; V928-F932 VanDerWaalsContact O-CD2 3.23Å; V928-F932 WeakPolarHBondContact O-CD2 3.39Å; V928-F932 PolarHBondContact O-N 2.92Å; V928-V945 HydrophobicContact CG2-CB 3.48Å; V928-V945 VanDerWaalsContact CG2-CB 3.48Å; V928-V945 HydrophobicContact CG2-CG1 3.51Å; V928-I948 HydrophobicContact CB-CG2 4.41Å; V928-L1084 HydrophobicContact CG1-CD2 3.54Å; V928-L1084 HydrophobicContact CG1-CG 4.39Å; V928-V1085 HydrophobicContact CG2-CG2 4.41Å |
| 929 | F | 87.2 | Confident | 88.5 | Confident | 14 Ų | 14 | 36.8 Ų | 36.8 | 6% | 0.061 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.8 | -46.2 | 175.2 | -72.9 | -22.8 | 0 | 0 | 0 | 112.9 | Y898 L907 F910 V912 Q925 S927 G931 F932 | Y898-F929 VanDerWaalsContact OH-CA 3.32Å; Y898-F929 WeakPolarHBondContact OH-CA 3.31Å; Y898-F929 WeakPolarHBondContact OH-CB 3.26Å; Y898-F929 WeakPolarHBondContact OH-CD1 3.48Å; Y898-F929 WeakPolarHBondContact OH-CG 2.84Å; Y898-F929 PolarHBondContact OH-O 3.49Å; L907-F929 HydrophobicContact CD1-CD2 4.43Å; L907-F929 HydrophobicContact CD1-CE1 4.2Å; L907-F929 HydrophobicContact CD1-CE2 3.7Å; L907-F929 HydrophobicContact CD1-CZ 3.59Å; L907-F929 HydrophobicContact CD2-CE2 3.77Å; L907-F929 HydrophobicContact CD2-CZ 4.35Å; L907-F929 HydrophobicContact CG-CE2 4.41Å; F910-F929 HydrophobicContact CB-CZ 4.11Å; F910-F929 HydrophobicContact CD1-CE1 4.16Å; F910-F929 AromaticContact CD1-CZ 3.95Å; F910-F929 HydrophobicContact CD1-CZ 3.95Å; F910-F929 HydrophobicContact CD2-CZ 4.2Å; F910-F929 HydrophobicContact CE1-CE1 4.16Å; F910-F929 HydrophobicContact CE1-CZ 4.41Å; F910-F929 HydrophobicContact CG-CE1 4.34Å; F910-F929 AromaticContact CG-CZ 3.82Å; F910-F929 HydrophobicContact CG-CZ 3.82Å; F910-F929 HydrophobicContact CZ-CE1 4.33Å; V912-F929 HydrophobicContact CB-CE2 4.46Å; V912-F929 HydrophobicContact CG2-CE2 3.73Å; V912-F929 HydrophobicContact CG2-CZ 4.33Å; Q925-F929 HydrophobicContact CB-CE2 4.19Å; Q925-F929 HydrophobicContact CB-CZ 4.05Å; Q925-F929 WeakPolarHBondContact O-CB 3.26Å; Q925-F929 WeakPolarHBondContact O-CD1 3.35Å; Q925-F929 WeakPolarHBondContact O-CD2 3.37Å; Q925-F929 WeakPolarHBondContact O-CE2 3.49Å; Q925-F929 WeakPolarHBondContact O-CG 3.43Å; Q925-F929 PolarHBondContact O-N 2.89Å; S927-F929 VanDerWaalsContact C-N 3.3Å; S927-F929 PolarHBondContact O-N 3.46Å; F929-G931 VanDerWaalsContact C-N 3.29Å; F929-G931 PolarHBondContact O-N 3.28Å; F929-F932 HydrophobicContact CD1-CD2 4.33Å; F929-F932 HydrophobicContact CD1-CE2 4.32Å; F929-F932 PolarHBondContact O-N 3.23Å |
| 930 | G | 82 | Confident | 89 | Confident | 38 Ų | 38 | 36.6 Ų | 36.6 | 39% | 0.392 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -68 | -29.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S927 V928 F932 L933 | S927-G930 PolarHBondContact O-N 3.17Å; V928-G930 PolarHBondContact O-N 3.23Å; G930-F932 VanDerWaalsContact C-N 3.34Å; G930-F932 PolarHBondContact O-N 3.14Å; G930-L933 PolarHBondContact O-N 3.22Å |
| 931 | G | 88.3 | Confident | 89.2 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64 | -34 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114 | S927 V928 F929 L933 K934 S944 | S927-G931 PolarHBondContact O-N 3.43Å; V928-G931 WeakPolarHBondContact O-CA 3.46Å; V928-G931 PolarHBondContact O-N 2.91Å; F929-G931 VanDerWaalsContact C-N 3.29Å; F929-G931 PolarHBondContact O-N 3.28Å; G931-L933 PolarHBondContact O-N 2.98Å; G931-K934 PolarHBondContact O-N 2.9Å; G931-S944 PolarHBondContact O-OG 3.48Å |
| 932 | F | 91.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -21.6 | 178.2 | -73.2 | -58.2 | 0 | 0 | 0 | 114.2 | V512 V880 V928 F929 G930 V941 V945 L1084 | V512-F932 HydrophobicContact CB-CD1 4.44Å; V512-F932 HydrophobicContact CG1-CD1 4.24Å; V512-F932 HydrophobicContact CG2-CD1 3.32Å; V512-F932 HydrophobicContact CG2-CE1 3.37Å; V512-F932 HydrophobicContact CG2-CG 4.35Å; V512-F932 HydrophobicContact CG2-CZ 4.42Å; V880-F932 HydrophobicContact CB-CD2 4.46Å; V880-F932 HydrophobicContact CG1-CD2 4.04Å; V880-F932 HydrophobicContact CG1-CE1 4.24Å; V880-F932 HydrophobicContact CG1-CE2 3.68Å; V880-F932 HydrophobicContact CG1-CG 4.48Å; V880-F932 HydrophobicContact CG1-CZ 3.78Å; V880-F932 HydrophobicContact CG2-CB 3.99Å; V880-F932 HydrophobicContact CG2-CD1 4.29Å; V880-F932 HydrophobicContact CG2-CD2 3.75Å; V880-F932 HydrophobicContact CG2-CE2 4.28Å; V880-F932 HydrophobicContact CG2-CG 3.77Å; V928-F932 HydrophobicContact CG1-CE2 3.9Å; V928-F932 HydrophobicContact CG2-CE2 4.27Å; V928-F932 HydrophobicContact CG2-CZ 4.36Å; V928-F932 VanDerWaalsContact O-CD2 3.23Å; V928-F932 WeakPolarHBondContact O-CD2 3.39Å; V928-F932 PolarHBondContact O-N 2.92Å; F929-F932 HydrophobicContact CD1-CD2 4.33Å; F929-F932 HydrophobicContact CD1-CE2 4.32Å; F929-F932 PolarHBondContact O-N 3.23Å; G930-F932 VanDerWaalsContact C-N 3.34Å; G930-F932 PolarHBondContact O-N 3.14Å; F932-V941 HydrophobicContact CD1-CG1 4.24Å; F932-V945 HydrophobicContact CD1-CG1 3.66Å; F932-V945 HydrophobicContact CE1-CB 4.43Å; F932-V945 HydrophobicContact CE1-CG1 3.84Å; F932-V945 HydrophobicContact CE1-CG2 4.14Å; F932-V945 HydrophobicContact CG-CG1 4.03Å; F932-V945 HydrophobicContact CZ-CG1 4.35Å; F932-L1084 HydrophobicContact CE2-CD1 4Å; F932-L1084 HydrophobicContact CE2-CD2 4.48Å; F932-L1084 HydrophobicContact CE2-CG 4.16Å; F932-L1084 HydrophobicContact CZ-CD1 3.85Å; F932-L1084 HydrophobicContact CZ-CG 3.89Å |
| 933 | L | 89.5 | Confident | 89.9 | Confident | 37 Ų | 37 | 37.4 Ų | 37.4 | 19% | 0.194 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -13.2 | 178.6 | -60.5 | -177.9 | 0 | 0 | 0 | 113.1 | A878 Y898 G930 G931 | A878-L933 HydrophobicContact CB-CD2 3.75Å; Y898-L933 HydrophobicContact CD1-CD1 3.78Å; Y898-L933 HydrophobicContact CD1-CD2 4.08Å; Y898-L933 HydrophobicContact CD1-CG 4.21Å; Y898-L933 HydrophobicContact CD2-CD2 4.03Å; Y898-L933 HydrophobicContact CE1-CD1 4.21Å; Y898-L933 HydrophobicContact CE1-CG 4.44Å; Y898-L933 HydrophobicContact CG-CD1 4.28Å; Y898-L933 HydrophobicContact CG-CD2 3.77Å; Y898-L933 HydrophobicContact CG-CG 4.4Å; G930-L933 PolarHBondContact O-N 3.22Å; G931-L933 PolarHBondContact O-N 2.98Å |
| 934 | K | 89.3 | Confident | 90.2 | Very high | 132 Ų | 132 | 35.8 Ų | 35.8 | 57% | 0.574 | 23% | 0.232 | S | C | * | . | trans | -89.8 | 143.8 | -177.8 | -59.1 | -179.3 | -178.4 | -178.5 | 0 | 111 | G931 V941 | G931-K934 PolarHBondContact O-N 2.9Å; K934-V941 WeakPolarHBondContact O-CA 3.37Å; K934-V941 VanDerWaalsContact O-CG2 3.25Å; K934-V941 WeakPolarHBondContact O-CG2 2.91Å | ||
| 935 | G | 88.5 | Confident | 90.3 | Very high | 34 Ų | 34 | 35.8 Ų | 35.8 | 35% | 0.351 | 23% | 0.232 | S | C | . | . | trans | 104.4 | 149.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | K514 | K514-G935 PolarHBondContact NZ-O 2.89Å; K514-G935 VanDerWaalsContact NZ-O 3.1Å | ||
| 936 | S | 88.2 | Confident | 90.5 | Very high | 97 Ų | 97 | 36.2 Ų | 36.2 | 68% | 0.678 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -96.6 | -14.2 | -178.1 | 40.2 | 0 | 0 | 0 | 0 | 114.4 | D940 | S936-D940 PolarHBondContact N-OD2 2.79Å; S936-D940 PolarHBondContact OG-OD2 3.01Å |
| 937 | S | 92.1 | Very high | 90.9 | Very high | 49 Ų | 49 | 36.1 Ų | 36.1 | 34% | 0.343 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -133.2 | 162.5 | 175.9 | 70.2 | 0 | 0 | 0 | 0 | 110.8 | G939 D940 V941 | S937-G939 PolarHBondContact O-N 3.11Å; S937-D940 PolarHBondContact N-OD2 3.45Å; S937-D940 PolarHBondContact O-N 3.13Å; S937-D940 VanDerWaalsContact O-N 3.09Å; S937-D940 PolarHBondContact OG-N 3.45Å; S937-D940 PolarHBondContact OG-OD1 3.06Å; S937-D940 PolarHBondContact OG-OD2 3.1Å; S937-V941 WeakPolarHBondContact O-CG2 3.4Å; S937-V941 PolarHBondContact O-N 3.33Å |
| 938 | L | 91.2 | Very high | 91.3 | Very high | 30 Ų | 30 | 35.3 Ų | 35.3 | 16% | 0.157 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.5 | -36.2 | 175.1 | -78 | 173.6 | 0 | 0 | 0 | 111.5 | V512 I517 V941 Y942 Q1092 I1094 | V512-L938 HydrophobicContact CB-CD2 4.48Å; V512-L938 WeakPolarHBondContact O-CD2 3.24Å; I517-L938 HydrophobicContact CD1-CD2 4.37Å; I517-L938 HydrophobicContact CD1-CG 4.47Å; I517-L938 HydrophobicContact CG2-CG 4.19Å; L938-V941 PolarHBondContact O-N 3.12Å; L938-Y942 HydrophobicContact CD2-CE2 4.4Å; L938-Y942 WeakPolarHBondContact O-CD2 3.11Å; L938-Y942 PolarHBondContact O-N 3.22Å; L938-Q1092 HydrophobicContact CD1-CB 4.49Å; L938-I1094 HydrophobicContact CB-CD1 4.25Å; L938-I1094 HydrophobicContact CB-CG1 4.26Å |
| 939 | G | 92.3 | Very high | 91.5 | Very high | 24 Ų | 24 | 35.3 Ų | 35.3 | 25% | 0.247 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.6 | -44.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S937 Y942 S943 | S937-G939 PolarHBondContact O-N 3.11Å; G939-Y942 PolarHBondContact O-N 2.87Å; G939-S943 WeakPolarHBondContact O-CB 3.31Å; G939-S943 PolarHBondContact O-N 2.77Å; G939-S943 PolarHBondContact O-OG 2.8Å |
| 940 | D | 93.7 | Very high | 91.9 | Very high | 68 Ų | 68 | 36.5 Ų | 36.5 | 36% | 0.364 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.1 | -42.2 | 177.2 | -56.4 | -34.3 | 0 | 0 | 0 | 111.5 | S936 S937 S943 S944 | S936-D940 PolarHBondContact N-OD2 2.79Å; S936-D940 PolarHBondContact OG-OD2 3.01Å; S937-D940 PolarHBondContact N-OD2 3.45Å; S937-D940 PolarHBondContact O-N 3.13Å; S937-D940 VanDerWaalsContact O-N 3.09Å; S937-D940 PolarHBondContact OG-N 3.45Å; S937-D940 PolarHBondContact OG-OD1 3.06Å; S937-D940 PolarHBondContact OG-OD2 3.1Å; D940-S943 PolarHBondContact O-N 3.26Å; D940-S944 WeakPolarHBondContact O-CB 3.33Å; D940-S944 PolarHBondContact O-N 2.84Å |
| 941 | V | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.8 | -51.4 | 177.2 | 174.4 | 0 | 0 | 0 | 0 | 110.1 | V512 K514 I517 F932 K934 S937 L938 S943 S944 V945 | V512-V941 HydrophobicContact CG1-CG1 4.1Å; K514-V941 HydrophobicContact CD-CG2 3.84Å; I517-V941 HydrophobicContact CD1-CG2 3.93Å; F932-V941 HydrophobicContact CD1-CG1 4.24Å; K934-V941 WeakPolarHBondContact O-CA 3.37Å; K934-V941 VanDerWaalsContact O-CG2 3.25Å; K934-V941 WeakPolarHBondContact O-CG2 2.91Å; S937-V941 WeakPolarHBondContact O-CG2 3.4Å; S937-V941 PolarHBondContact O-N 3.33Å; L938-V941 PolarHBondContact O-N 3.12Å; V941-S943 VanDerWaalsContact C-N 3.28Å; V941-S943 PolarHBondContact O-N 3.16Å; V941-S944 WeakPolarHBondContact O-CB 3.09Å; V941-S944 PolarHBondContact O-N 3.04Å; V941-V945 WeakPolarHBondContact O-CG2 3.16Å; V941-V945 PolarHBondContact O-N 3.22Å |
| 942 | Y | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.3 | -29 | 178.5 | -79 | -63.5 | 0 | 0 | 0 | 113.1 | V512 L938 G939 V945 S946 V1085 P1088 A1089 Q1092 I1094 | V512-Y942 HydrophobicContact CG2-CE1 4.2Å; L938-Y942 HydrophobicContact CD2-CE2 4.4Å; L938-Y942 WeakPolarHBondContact O-CD2 3.11Å; L938-Y942 PolarHBondContact O-N 3.22Å; G939-Y942 PolarHBondContact O-N 2.87Å; Y942-V945 HydrophobicContact CD1-CG2 3.97Å; Y942-V945 WeakPolarHBondContact O-CG2 3.45Å; Y942-S946 WeakPolarHBondContact O-CB 3.42Å; Y942-S946 PolarHBondContact O-N 3.31Å; Y942-V1085 HydrophobicContact CD1-CG1 4.15Å; Y942-P1088 WeakPolarHBondContact OH-CB 3.48Å; Y942-A1089 HydrophobicContact CD1-CB 3.57Å; Y942-A1089 HydrophobicContact CD2-CB 3.93Å; Y942-A1089 HydrophobicContact CE1-CB 3.57Å; Y942-A1089 HydrophobicContact CE2-CB 3.94Å; Y942-A1089 HydrophobicContact CG-CB 3.76Å; Y942-A1089 PolarHBondContact OH-N 2.94Å; Y942-Q1092 PolarHBondContact OH-OE1 2.83Å; Y942-I1094 HydrophobicContact CD2-CB 4.28Å; Y942-I1094 HydrophobicContact CD2-CG1 3.99Å; Y942-I1094 HydrophobicContact CD2-CG2 4.37Å; Y942-I1094 HydrophobicContact CE2-CG1 4.43Å |
| 943 | S | 92.5 | Very high | 92.9 | Very high | 68 Ų | 68 | 42.5 Ų | 42.5 | 48% | 0.476 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -69.1 | -41.2 | 172.7 | -60.5 | 0 | 0 | 0 | 0 | 112.1 | G939 D940 V941 S946 S947 | G939-S943 WeakPolarHBondContact O-CB 3.31Å; G939-S943 PolarHBondContact O-N 2.77Å; G939-S943 PolarHBondContact O-OG 2.8Å; D940-S943 PolarHBondContact O-N 3.26Å; V941-S943 VanDerWaalsContact C-N 3.28Å; V941-S943 PolarHBondContact O-N 3.16Å; S943-S946 PolarHBondContact O-N 2.6Å; S943-S947 PolarHBondContact O-N 2.87Å; S943-S947 PolarHBondContact O-OG 3.29Å |
| 944 | S | 93.5 | Very high | 93.1 | Very high | 24 Ų | 24 | 44.5 Ų | 44.5 | 17% | 0.168 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.4 | -52 | 173.6 | 166.6 | 0 | 0 | 0 | 0 | 111.3 | G931 D940 V941 S946 S947 I948 | G931-S944 PolarHBondContact O-OG 3.48Å; D940-S944 WeakPolarHBondContact O-CB 3.33Å; D940-S944 PolarHBondContact O-N 2.84Å; V941-S944 WeakPolarHBondContact O-CB 3.09Å; V941-S944 PolarHBondContact O-N 3.04Å; S944-S946 VanDerWaalsContact C-N 3.33Å; S944-S946 PolarHBondContact O-N 3Å; S944-S947 PolarHBondContact O-N 2.79Å; S944-I948 PolarHBondContact O-N 2.93Å |
| 945 | V | 94.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71.6 | -26.7 | 179 | -63.2 | 0 | 0 | 0 | 0 | 113.3 | V928 F932 V941 Y942 I948 A949 V1085 | V928-V945 HydrophobicContact CG2-CB 3.48Å; V928-V945 VanDerWaalsContact CG2-CB 3.48Å; V928-V945 HydrophobicContact CG2-CG1 3.51Å; F932-V945 HydrophobicContact CD1-CG1 3.66Å; F932-V945 HydrophobicContact CE1-CB 4.43Å; F932-V945 HydrophobicContact CE1-CG1 3.84Å; F932-V945 HydrophobicContact CE1-CG2 4.14Å; F932-V945 HydrophobicContact CG-CG1 4.03Å; F932-V945 HydrophobicContact CZ-CG1 4.35Å; V941-V945 WeakPolarHBondContact O-CG2 3.16Å; V941-V945 PolarHBondContact O-N 3.22Å; Y942-V945 HydrophobicContact CD1-CG2 3.97Å; Y942-V945 WeakPolarHBondContact O-CG2 3.45Å; V945-I948 PolarHBondContact O-N 3.25Å; V945-A949 WeakPolarHBondContact O-CB 3.4Å; V945-A949 PolarHBondContact O-N 3.27Å; V945-V1085 HydrophobicContact CB-CG2 4.49Å; V945-V1085 HydrophobicContact CG2-CG1 3.83Å; V945-V1085 HydrophobicContact CG2-CG2 4.26Å |
| 946 | S | 93.3 | Very high | 93.4 | Very high | 12 Ų | 12 | 37.7 Ų | 37.7 | 8% | 0.084 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.2 | -40.5 | 171.8 | 173.9 | 0 | 0 | 0 | 0 | 112.1 | Y942 S943 S944 I948 A949 N950 P1097 V1098 | Y942-S946 WeakPolarHBondContact O-CB 3.42Å; Y942-S946 PolarHBondContact O-N 3.31Å; S943-S946 PolarHBondContact O-N 2.6Å; S944-S946 VanDerWaalsContact C-N 3.33Å; S944-S946 PolarHBondContact O-N 3Å; S946-I948 VanDerWaalsContact C-N 3.28Å; S946-I948 PolarHBondContact O-N 3.38Å; S946-A949 PolarHBondContact O-N 3.09Å; S946-N950 WeakPolarHBondContact O-CB 3.3Å; S946-N950 PolarHBondContact O-N 2.83Å; S946-N950 PolarHBondContact O-ND2 3.04Å; S946-N950 PolarHBondContact OG-ND2 3.32Å; S946-P1097 PolarHBondContact OG-O 3.36Å; S946-V1098 WeakPolarHBondContact OG-CG2 3.48Å |
| 947 | S | 93.5 | Very high | 93.6 | Very high | 79 Ų | 79 | 38.3 Ų | 38.3 | 55% | 0.552 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -59.9 | -42 | 175.5 | -57.4 | 0 | 0 | 0 | 0 | 111 | S943 S944 N950 Y951 | S943-S947 PolarHBondContact O-N 2.87Å; S943-S947 PolarHBondContact O-OG 3.29Å; S944-S947 PolarHBondContact O-N 2.79Å; S947-N950 PolarHBondContact O-N 2.88Å; S947-Y951 PolarHBondContact O-N 3.26Å |
| 948 | I | 94.4 | Very high | 93.6 | Very high | 34 Ų | 34 | 38.6 Ų | 38.6 | 17% | 0.174 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.9 | -45 | 174.4 | -61.4 | 169.2 | 0 | 0 | 0 | 110.9 | F924 S927 V928 S944 V945 S946 N950 Y951 W952 | F924-I948 HydrophobicContact CD2-CG2 4.32Å; F924-I948 HydrophobicContact CE2-CG2 4.49Å; S927-I948 WeakPolarHBondContact O-CD1 3.49Å; V928-I948 HydrophobicContact CB-CG2 4.41Å; S944-I948 PolarHBondContact O-N 2.93Å; V945-I948 PolarHBondContact O-N 3.25Å; S946-I948 VanDerWaalsContact C-N 3.28Å; S946-I948 PolarHBondContact O-N 3.38Å; I948-N950 VanDerWaalsContact C-N 3.34Å; I948-N950 PolarHBondContact O-N 3.21Å; I948-Y951 PolarHBondContact O-N 3.03Å; I948-W952 PolarHBondContact O-N 3.01Å |
| 949 | A | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.8 | -41.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | F924 V945 S946 W952 L953 V1081 V1098 | F924-A949 HydrophobicContact CE2-CB 3.93Å; F924-A949 HydrophobicContact CZ-CB 4.46Å; V945-A949 WeakPolarHBondContact O-CB 3.4Å; V945-A949 PolarHBondContact O-N 3.27Å; S946-A949 PolarHBondContact O-N 3.09Å; A949-W952 PolarHBondContact O-N 3.28Å; A949-L953 WeakPolarHBondContact O-CB 3.2Å; A949-L953 VanDerWaalsContact O-CG 3.27Å; A949-L953 WeakPolarHBondContact O-CG 2.98Å; A949-L953 PolarHBondContact O-N 2.94Å; A949-V1081 HydrophobicContact CB-CG1 3.99Å; A949-V1081 HydrophobicContact CB-CG2 4.05Å; A949-V1098 HydrophobicContact CB-CG2 3.9Å |
| 950 | N | 95.1 | Very high | 93.4 | Very high | 39 Ų | 39 | 41.2 Ų | 41.2 | 21% | 0.209 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.1 | -42.1 | 177.3 | -79.3 | -57.4 | 0 | 0 | 0 | 111.9 | S946 S947 I948 W952 L953 D954 R1100 | S946-N950 WeakPolarHBondContact O-CB 3.3Å; S946-N950 PolarHBondContact O-N 2.83Å; S946-N950 PolarHBondContact O-ND2 3.04Å; S946-N950 PolarHBondContact OG-ND2 3.32Å; S947-N950 PolarHBondContact O-N 2.88Å; I948-N950 VanDerWaalsContact C-N 3.34Å; I948-N950 PolarHBondContact O-N 3.21Å; N950-W952 PolarHBondContact O-N 2.82Å; N950-L953 CarbonylContact O-C 3.44Å; N950-L953 WeakPolarHBondContact O-CB 3.27Å; N950-L953 PolarHBondContact O-N 3.1Å; N950-L953 VanDerWaalsContact O-N 3.14Å; N950-D954 WeakPolarHBondContact O-CB 3.31Å; N950-D954 PolarHBondContact O-N 3.12Å; N950-R1100 PolarHBondContact OD1-NH1 3.38Å |
| 951 | Y | 94.2 | Very high | 93.1 | Very high | 142 Ų | 142 | 42.5 Ų | 42.5 | 56% | 0.557 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -53.5 | -50.7 | 173.7 | 170.8 | -96 | 0 | 0 | 0 | 112.1 | S947 I948 L953 D954 V955 | S947-Y951 PolarHBondContact O-N 3.26Å; I948-Y951 PolarHBondContact O-N 3.03Å; Y951-L953 VanDerWaalsContact C-N 3.32Å; Y951-L953 PolarHBondContact O-N 2.67Å; Y951-D954 WeakPolarHBondContact O-CB 3.29Å; Y951-D954 PolarHBondContact O-N 3.48Å; Y951-D954 VanDerWaalsContact O-N 3.13Å; Y951-V955 HydrophobicContact CE1-CG2 4.35Å; Y951-V955 PolarHBondContact O-N 3.14Å; Y951-V955 VanDerWaalsContact O-N 3.11Å |
| 952 | W | 94.2 | Very high | 92.7 | Very high | 24 Ų | 24 | 49.5 Ų | 49.5 | 9% | 0.091 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70 | -29 | 179.7 | -72.1 | 108.8 | 0 | 0 | 0 | 113.2 | L920 L923 F924 I948 A949 N950 V955 L971 L1077 | L920-W952 HydrophobicContact CD1-CD2 4.38Å; L920-W952 HydrophobicContact CD1-CE3 3.4Å; L920-W952 HydrophobicContact CD1-CZ3 3.73Å; L920-W952 HydrophobicContact CG-CE3 4.47Å; L923-W952 HydrophobicContact CB-CH2 3.71Å; L923-W952 HydrophobicContact CB-CZ2 3.67Å; L923-W952 HydrophobicContact CD1-CH2 3.94Å; L923-W952 HydrophobicContact CG-CH2 4.47Å; F924-W952 HydrophobicContact CB-CG 4.15Å; F924-W952 AromaticContact CD2-CD1 3.72Å; F924-W952 HydrophobicContact CD2-CG 4.32Å; I948-W952 PolarHBondContact O-N 3.01Å; A949-W952 PolarHBondContact O-N 3.28Å; N950-W952 PolarHBondContact O-N 2.82Å; W952-V955 HydrophobicContact CE3-CG2 4.43Å; W952-L971 HydrophobicContact CH2-CD2 4.49Å; W952-L971 HydrophobicContact CZ3-CD1 4.45Å; W952-L971 HydrophobicContact CZ3-CD2 4.13Å; W952-L1077 HydrophobicContact CB-CD2 3.86Å; W952-L1077 WeakPolarHBondContact O-CD2 3.13Å |
| 953 | L | 94.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.1 | -40.6 | 169.1 | -73.6 | 167.4 | 0 | 0 | 0 | 110.8 | A949 N950 Y951 V955 L956 Y957 L1077 V1098 V1101 | A949-L953 WeakPolarHBondContact O-CB 3.2Å; A949-L953 VanDerWaalsContact O-CG 3.27Å; A949-L953 WeakPolarHBondContact O-CG 2.98Å; A949-L953 PolarHBondContact O-N 2.94Å; N950-L953 CarbonylContact O-C 3.44Å; N950-L953 WeakPolarHBondContact O-CB 3.27Å; N950-L953 PolarHBondContact O-N 3.1Å; N950-L953 VanDerWaalsContact O-N 3.14Å; Y951-L953 VanDerWaalsContact C-N 3.32Å; Y951-L953 PolarHBondContact O-N 2.67Å; L953-V955 VanDerWaalsContact C-N 3.33Å; L953-V955 PolarHBondContact O-N 2.97Å; L953-L956 PolarHBondContact O-N 2.64Å; L953-Y957 HydrophobicContact CB-CD2 4.14Å; L953-Y957 HydrophobicContact CB-CE2 4.29Å; L953-Y957 HydrophobicContact CD2-CE2 4.19Å; L953-Y957 VanDerWaalsContact O-CD2 3.23Å; L953-Y957 WeakPolarHBondContact O-CD2 3.48Å; L953-Y957 PolarHBondContact O-N 3.27Å; L953-L1077 HydrophobicContact CD2-CD2 4.01Å; L953-L1077 HydrophobicContact CD2-CG 4.37Å; L953-L1077 HydrophobicContact CG-CD2 4.24Å; L953-V1098 HydrophobicContact CD1-CG1 3.73Å; L953-V1101 HydrophobicContact CD1-CG2 4Å |
| 954 | D | 93.2 | Very high | 92 | Very high | 78 Ų | 78 | 51.2 Ų | 51.2 | 42% | 0.417 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 179.5 | -67.5 | -26.9 | 0 | 0 | 0 | 111.8 | N950 Y951 L956 Y957 S958 R1100 | N950-D954 WeakPolarHBondContact O-CB 3.31Å; N950-D954 PolarHBondContact O-N 3.12Å; Y951-D954 WeakPolarHBondContact O-CB 3.29Å; Y951-D954 PolarHBondContact O-N 3.48Å; Y951-D954 VanDerWaalsContact O-N 3.13Å; D954-L956 PolarHBondContact O-N 3.32Å; D954-Y957 PolarHBondContact O-N 2.83Å; D954-S958 WeakPolarHBondContact O-CB 2.99Å; D954-S958 PolarHBondContact O-N 3.49Å; D954-S958 PolarHBondContact O-OG 3.29Å; D954-R1100 IonicContact OD1-CZ 3.33Å; D954-R1100 IonicContact OD1-NH1 3.52Å; D954-R1100 PolarHBondContact OD1-NH1 3.41Å; D954-R1100 IonicContact OD1-NH2 3.53Å; D954-R1100 PolarHBondContact OD1-NH2 3.37Å; D954-R1100 IonicContact OD2-NH1 2.72Å |
| 955 | V | 91 | Very high | 91.6 | Very high | 21 Ų | 21 | 53.3 Ų | 53.3 | 13% | 0.127 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -54.2 | -40.3 | 171.2 | 174.3 | 0 | 0 | 0 | 0 | 112 | Y951 W952 L953 S958 G960 L963 L971 | Y951-V955 HydrophobicContact CE1-CG2 4.35Å; Y951-V955 PolarHBondContact O-N 3.14Å; Y951-V955 VanDerWaalsContact O-N 3.11Å; W952-V955 HydrophobicContact CE3-CG2 4.43Å; L953-V955 VanDerWaalsContact C-N 3.33Å; L953-V955 PolarHBondContact O-N 2.97Å; V955-S958 PolarHBondContact O-OG 2.68Å; V955-G960 PolarHBondContact O-N 3.04Å; V955-L963 HydrophobicContact CG1-CD1 3.76Å; V955-L971 HydrophobicContact CG1-CD1 4.41Å |
| 956 | L | 93 | Very high | 90.9 | Very high | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -79.9 | -39.6 | 178.8 | -68 | -176.1 | 0 | 0 | 0 | 113.2 | L920 L953 D954 K959 W1070 I1074 L1077 | L920-L956 HydrophobicContact CD2-CD1 3.73Å; L920-L956 HydrophobicContact CD2-CD2 3.76Å; L920-L956 HydrophobicContact CD2-CG 3.9Å; L953-L956 PolarHBondContact O-N 2.64Å; D954-L956 PolarHBondContact O-N 3.32Å; L956-K959 PolarHBondContact O-N 3.49Å; L956-K959 VanDerWaalsContact O-N 3.1Å; L956-W1070 HydrophobicContact CD2-CE3 4.22Å; L956-W1070 HydrophobicContact CD2-CZ3 4.05Å; L956-I1074 HydrophobicContact CB-CG1 3.78Å; L956-I1074 HydrophobicContact CD1-CG1 4.02Å; L956-L1077 HydrophobicContact CD1-CB 3.88Å; L956-L1077 HydrophobicContact CD1-CD2 3.76Å; L956-L1077 HydrophobicContact CD1-CG 4.48Å; L956-L1077 HydrophobicContact CG-CD2 4.43Å |
| 957 | Y | 93 | Very high | 90.4 | Very high | 111 Ų | 111 | 61 Ų | 61 | 44% | 0.435 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -72.2 | -30.6 | 179.8 | -83.4 | -76.4 | 0 | 0 | 0 | 112.3 | L953 D954 K959 I1074 | L953-Y957 HydrophobicContact CB-CD2 4.14Å; L953-Y957 HydrophobicContact CB-CE2 4.29Å; L953-Y957 HydrophobicContact CD2-CE2 4.19Å; L953-Y957 VanDerWaalsContact O-CD2 3.23Å; L953-Y957 WeakPolarHBondContact O-CD2 3.48Å; L953-Y957 PolarHBondContact O-N 3.27Å; D954-Y957 PolarHBondContact O-N 2.83Å; Y957-K959 PolarHBondContact O-N 2.84Å; Y957-I1074 HydrophobicContact CD1-CD1 4.07Å; Y957-I1074 HydrophobicContact CE1-CD1 4Å; Y957-I1074 HydrophobicContact CE2-CG2 4.25Å; Y957-I1074 HydrophobicContact CG-CD1 4.38Å |
| 958 | S | 91.8 | Very high | 90.3 | Very high | 54 Ų | 54 | 57.3 Ų | 57.3 | 38% | 0.378 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -1.6 | 169.3 | 73.5 | 0 | 0 | 0 | 0 | 112.9 | D954 V955 G960 V961 | D954-S958 WeakPolarHBondContact O-CB 2.99Å; D954-S958 PolarHBondContact O-N 3.49Å; D954-S958 PolarHBondContact O-OG 3.29Å; V955-S958 PolarHBondContact O-OG 2.68Å; S958-G960 PolarHBondContact O-N 2.77Å; S958-G960 PolarHBondContact OG-N 2.99Å; S958-V961 PolarHBondContact O-N 2.88Å |
| 959 | K | 92.3 | Very high | 90 | Very high | 109 Ų | 109 | 56.9 Ų | 56.9 | 47% | 0.474 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 31.3 | -175.1 | -57.7 | -177.2 | 177.8 | -178.2 | 0 | 113 | L956 Y957 V961 R1065 W1070 | L956-K959 PolarHBondContact O-N 3.49Å; L956-K959 VanDerWaalsContact O-N 3.1Å; Y957-K959 PolarHBondContact O-N 2.84Å; K959-V961 VanDerWaalsContact C-N 3.27Å; K959-V961 PolarHBondContact O-N 3.16Å; K959-R1065 VanDerWaalsContact O-CD 3.28Å; K959-R1065 WeakPolarHBondContact O-CD 2.99Å; K959-R1065 WeakPolarHBondContact O-CG 3.15Å; K959-W1070 HydrophobicContact CB-CD2 4.07Å; K959-W1070 HydrophobicContact CB-CH2 4.1Å; K959-W1070 HydrophobicContact CB-CZ2 3.61Å; K959-W1070 HydrophobicContact CD-CG 4.47Å; K959-W1070 HydrophobicContact CG-CD2 3.93Å; K959-W1070 HydrophobicContact CG-CG 4.04Å; K959-W1070 HydrophobicContact CG-CZ2 4.34Å; K959-W1070 WeakPolarHBondContact O-CH2 3.46Å; K959-W1070 VanDerWaalsContact O-CZ2 3.23Å; K959-W1070 WeakPolarHBondContact O-CZ2 3.47Å |
| 960 | G | 88.3 | Confident | 89.4 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 35.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | V955 S958 D962 L963 R1065 | V955-G960 PolarHBondContact O-N 3.04Å; S958-G960 PolarHBondContact O-N 2.77Å; S958-G960 PolarHBondContact OG-N 2.99Å; G960-D962 PolarHBondContact O-N 3.39Å; G960-L963 PolarHBondContact O-N 3.37Å; G960-L963 VanDerWaalsContact O-N 3.13Å; G960-R1065 PolarHBondContact O-NE 3.43Å |
| 961 | V | 86.9 | Confident | 89 | Confident | 95 Ų | 95 | 61 Ų | 61 | 58% | 0.576 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -35.4 | -175.7 | 67.5 | 0 | 0 | 0 | 0 | 113.3 | S958 K959 | S958-V961 PolarHBondContact O-N 2.88Å; K959-V961 VanDerWaalsContact C-N 3.27Å; K959-V961 PolarHBondContact O-N 3.16Å |
| 962 | D | 84.7 | Confident | 88.9 | Confident | 147 Ų | 147 | 54.3 Ų | 54.3 | 79% | 0.786 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -1 | -178.4 | -55.7 | -49.8 | 0 | 0 | 0 | 114 | G960 | G960-D962 PolarHBondContact O-N 3.39Š|
| 963 | L | 86.8 | Confident | 88.6 | Confident | 34 Ų | 34 | 53.6 Ų | 53.6 | 18% | 0.178 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -96.6 | 139.3 | 179.5 | -63.6 | 177.1 | 0 | 0 | 0 | 110 | V955 G960 E967 L971 R1065 | V955-L963 HydrophobicContact CG1-CD1 3.76Å; G960-L963 PolarHBondContact O-N 3.37Å; G960-L963 VanDerWaalsContact O-N 3.13Å; L963-E967 HydrophobicContact CD2-CG 4.38Å; L963-L971 HydrophobicContact CD1-CD1 3.66Å; L963-R1065 PolarHBondContact O-NH2 2.88Å |
| 964 | P | 88.1 | Confident | 88 | Confident | 69 Ų | 69 | 54.2 Ų | 54.2 | 45% | 0.448 | 29% | 0.288 | S | S | . | . | trans | -65.4 | 153.5 | 166.5 | 27 | -31.4 | 0 | 0 | 0 | 111.1 | S966 E967 L968 | P964-S966 PolarHBondContact O-N 2.92Å; P964-E967 WeakPolarHBondContact CD-OE2 3.34Å; P964-E967 HydrophobicContact CG-CB 3.85Å; P964-E967 PolarHBondContact O-N 3.35Å; P964-E967 VanDerWaalsContact O-N 3.12Å; P964-L968 PolarHBondContact O-N 2.97Å | ||
| 965 | D | 84.8 | Confident | 87 | Confident | 68 Ų | 68 | 53.3 Ų | 53.3 | 36% | 0.364 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.4 | -35.4 | -175.2 | -71.8 | 5.3 | 0 | 0 | 0 | 113.2 | L968 F969 I1064 R1065 | D965-L968 PolarHBondContact O-N 2.96Å; D965-F969 WeakPolarHBondContact O-CB 3.05Å; D965-F969 WeakPolarHBondContact O-CD2 3.19Å; D965-F969 VanDerWaalsContact O-CG 3.31Å; D965-F969 WeakPolarHBondContact O-CG 3.31Å; D965-F969 PolarHBondContact O-N 3.06Å; D965-I1064 HydrophobicContact CB-CG2 4.4Å; D965-R1065 IonicContact OD1-CZ 3.26Å; D965-R1065 VanDerWaalsContact OD1-CZ 3.25Å; D965-R1065 IonicContact OD1-NH1 2.81Å; D965-R1065 PolarHBondContact OD1-NH1 2.96Å; D965-R1065 IonicContact OD1-NH2 2.76Å; D965-R1065 PolarHBondContact OD1-NH2 2.84Å |
| 966 | S | 80.4 | Confident | 86.1 | Confident | 82 Ų | 82 | 56.4 Ų | 56.4 | 57% | 0.573 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -60 | -49.9 | 175.6 | 48.6 | 0 | 0 | 0 | 0 | 111.9 | P964 F969 E970 | P964-S966 PolarHBondContact O-N 2.92Å; S966-F969 PolarHBondContact O-N 3.38Å; S966-E970 PolarHBondContact O-N 3.23Å; S966-E970 VanDerWaalsContact O-N 3.07Å |
| 967 | E | 83.6 | Confident | 84.9 | Confident | 93 Ų | 93 | 59.6 Ų | 59.6 | 44% | 0.435 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.7 | -40.8 | 179 | -170 | 176.4 | -178.6 | 0 | 0 | 111.1 | L963 P964 F969 E970 L971 | L963-E967 HydrophobicContact CD2-CG 4.38Å; P964-E967 WeakPolarHBondContact CD-OE2 3.34Å; P964-E967 HydrophobicContact CG-CB 3.85Å; P964-E967 PolarHBondContact O-N 3.35Å; P964-E967 VanDerWaalsContact O-N 3.12Å; E967-F969 PolarHBondContact O-N 3.28Å; E967-E970 PolarHBondContact O-N 2.94Å; E967-L971 WeakPolarHBondContact O-CG 3.32Å; E967-L971 PolarHBondContact O-N 2.84Å; E967-L971 VanDerWaalsContact O-N 3.16Å |
| 968 | L | 90.1 | Very high | 83.6 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.4 | -50.3 | 173.7 | 176.3 | 59 | 0 | 0 | 0 | 111 | P964 D965 E970 L971 I972 I1064 R1065 L1068 W1070 | P964-L968 PolarHBondContact O-N 2.97Å; D965-L968 PolarHBondContact O-N 2.96Å; L968-E970 VanDerWaalsContact C-N 3.3Å; L968-E970 PolarHBondContact O-N 3.3Å; L968-L971 WeakPolarHBondContact O-CB 3.49Å; L968-L971 PolarHBondContact O-N 3.42Å; L968-L971 VanDerWaalsContact O-N 3.07Å; L968-I972 HydrophobicContact CD1-CD1 4.2Å; L968-I972 HydrophobicContact CD1-CG1 4.48Å; L968-I972 HydrophobicContact CD1-CG2 4.06Å; L968-I972 HydrophobicContact CG-CD1 4.18Å; L968-I972 WeakPolarHBondContact O-CG1 2.68Å; L968-I972 PolarHBondContact O-N 3.12Å; L968-I1064 HydrophobicContact CD2-CG2 4.25Å; L968-R1065 HydrophobicContact CD2-CG 4.19Å; L968-L1068 HydrophobicContact CD2-CD1 3.79Å; L968-L1068 HydrophobicContact CG-CD1 4.44Å; L968-W1070 HydrophobicContact CD1-CH2 3.75Å; L968-W1070 HydrophobicContact CD1-CZ3 4.22Å; L968-W1070 HydrophobicContact CD2-CH2 3.93Å; L968-W1070 HydrophobicContact CD2-CZ2 4.34Å; L968-W1070 HydrophobicContact CG-CH2 4.48Å |
| 969 | F | 88.7 | Confident | 82.1 | Confident | 25 Ų | 25 | 56.8 Ų | 56.8 | 11% | 0.11 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61 | -36 | 179.4 | -78 | -44.8 | 0 | 0 | 0 | 113.5 | D965 S966 E967 L971 S973 V1018 L1035 F1038 I1064 | D965-F969 WeakPolarHBondContact O-CB 3.05Å; D965-F969 WeakPolarHBondContact O-CD2 3.19Å; D965-F969 VanDerWaalsContact O-CG 3.31Å; D965-F969 WeakPolarHBondContact O-CG 3.31Å; D965-F969 PolarHBondContact O-N 3.06Å; S966-F969 PolarHBondContact O-N 3.38Å; E967-F969 PolarHBondContact O-N 3.28Å; F969-L971 VanDerWaalsContact C-N 3.33Å; F969-S973 WeakPolarHBondContact O-CB 3.22Å; F969-S973 PolarHBondContact O-N 3.44Å; F969-S973 PolarHBondContact O-OG 2.67Å; F969-V1018 HydrophobicContact CD1-CG1 4.06Å; F969-V1018 HydrophobicContact CE1-CG1 4.34Å; F969-L1035 HydrophobicContact CB-CD1 3.99Å; F969-L1035 HydrophobicContact CB-CD2 4.48Å; F969-L1035 HydrophobicContact CD1-CD1 3.46Å; F969-L1035 VanDerWaalsContact CD1-CD1 3.46Å; F969-L1035 HydrophobicContact CD2-CD1 4.34Å; F969-L1035 HydrophobicContact CE1-CD1 3.82Å; F969-L1035 HydrophobicContact CG-CD1 3.72Å; F969-L1035 HydrophobicContact CZ-CD1 4.36Å; F969-F1038 HydrophobicContact CE1-CD2 4.02Å; F969-F1038 HydrophobicContact CE1-CE2 4.15Å; F969-F1038 HydrophobicContact CE1-CG 4.44Å; F969-F1038 HydrophobicContact CE2-CB 4.1Å; F969-F1038 HydrophobicContact CE2-CD2 4.43Å; F969-F1038 HydrophobicContact CE2-CG 4.23Å; F969-F1038 HydrophobicContact CZ-CB 3.98Å; F969-F1038 HydrophobicContact CZ-CD1 4.06Å; F969-F1038 AromaticContact CZ-CD2 3.6Å; F969-F1038 HydrophobicContact CZ-CD2 3.6Å; F969-F1038 HydrophobicContact CZ-CE2 4.09Å; F969-F1038 AromaticContact CZ-CG 3.59Å; F969-F1038 HydrophobicContact CZ-CG 3.59Å; F969-I1064 HydrophobicContact CE1-CD1 3.68Å; F969-I1064 HydrophobicContact CE1-CG1 3.71Å; F969-I1064 HydrophobicContact CE2-CD1 4.3Å; F969-I1064 HydrophobicContact CE2-CG1 4.5Å; F969-I1064 HydrophobicContact CZ-CD1 3.25Å; F969-I1064 HydrophobicContact CZ-CG1 3.59Å |
| 970 | E | 83.1 | Confident | 80.9 | Confident | 115 Ų | 115 | 58.5 Ų | 58.5 | 54% | 0.537 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.4 | -46.2 | 172.5 | -74.2 | -167.8 | 169.8 | 0 | 0 | 111.3 | Q919 S966 E967 L968 I972 | Q919-E970 WeakPolarHBondContact CB-O 3.37Å; S966-E970 PolarHBondContact O-N 3.23Å; S966-E970 VanDerWaalsContact O-N 3.07Å; E967-E970 PolarHBondContact O-N 2.94Å; L968-E970 VanDerWaalsContact C-N 3.3Å; L968-E970 PolarHBondContact O-N 3.3Å; E970-I972 PolarHBondContact O-N 3.48Å |
| 971 | L | 87.7 | Confident | 80 | Confident | 11 Ų | 11 | 59.3 Ų | 59.3 | 6% | 0.058 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 179.4 | -65.9 | 178.1 | 0 | 0 | 0 | 113 | Q919 L920 L923 W952 V955 L963 E967 L968 F969 | Q919-L971 PolarHBondContact N-O 3.16Å; L920-L971 HydrophobicContact CB-CB 4.2Å; L920-L971 VanDerWaalsContact CB-O 3.27Å; L920-L971 WeakPolarHBondContact CB-O 3.22Å; L920-L971 HydrophobicContact CD1-CB 4.31Å; L920-L971 HydrophobicContact CD1-CD1 4.32Å; L920-L971 HydrophobicContact CD1-CD2 4.34Å; L920-L971 PolarHBondContact N-O 2.88Å; L923-L971 HydrophobicContact CD1-CD2 3.43Å; L923-L971 VanDerWaalsContact CD1-CD2 3.43Å; W952-L971 HydrophobicContact CH2-CD2 4.49Å; W952-L971 HydrophobicContact CZ3-CD1 4.45Å; W952-L971 HydrophobicContact CZ3-CD2 4.13Å; V955-L971 HydrophobicContact CG1-CD1 4.41Å; L963-L971 HydrophobicContact CD1-CD1 3.66Å; E967-L971 WeakPolarHBondContact O-CG 3.32Å; E967-L971 PolarHBondContact O-N 2.84Å; E967-L971 VanDerWaalsContact O-N 3.16Å; L968-L971 WeakPolarHBondContact O-CB 3.49Å; L968-L971 PolarHBondContact O-N 3.42Å; L968-L971 VanDerWaalsContact O-N 3.07Å; F969-L971 VanDerWaalsContact C-N 3.33Å |
| 972 | I | 90.4 | Very high | 79.1 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -105.8 | -1.3 | -167 | 71 | 168.9 | 0 | 0 | 0 | 115.7 | L918 L968 E970 V1018 L1068 Y1073 | L918-I972 WeakPolarHBondContact CD2-O 3.39Å; L968-I972 HydrophobicContact CD1-CD1 4.2Å; L968-I972 HydrophobicContact CD1-CG1 4.48Å; L968-I972 HydrophobicContact CD1-CG2 4.06Å; L968-I972 HydrophobicContact CG-CD1 4.18Å; L968-I972 WeakPolarHBondContact O-CG1 2.68Å; L968-I972 PolarHBondContact O-N 3.12Å; E970-I972 PolarHBondContact O-N 3.48Å; I972-V1018 HydrophobicContact CG1-CG1 4.35Å; I972-L1068 HydrophobicContact CD1-CD1 3.45Å; I972-L1068 VanDerWaalsContact CD1-CD1 3.45Å; I972-L1068 HydrophobicContact CD1-CD2 3.51Å; I972-L1068 HydrophobicContact CD1-CG 4.06Å; I972-Y1073 HydrophobicContact CB-CD1 4.05Å; I972-Y1073 HydrophobicContact CB-CE1 3.71Å; I972-Y1073 HydrophobicContact CB-CE2 4.36Å; I972-Y1073 HydrophobicContact CB-CG 4.49Å; I972-Y1073 HydrophobicContact CD1-CE2 4Å; I972-Y1073 HydrophobicContact CG2-CD1 4.33Å; I972-Y1073 HydrophobicContact CG2-CE1 4.48Å; I972-Y1073 HydrophobicContact CG2-CG 4.46Å; I972-Y1073 WeakPolarHBondContact O-CE1 3.06Å; I972-Y1073 PolarHBondContact O-OH 3.07Å; I972-Y1073 VanDerWaalsContact O-OH 3.1Å |
| 973 | S | 87.5 | Confident | 78.4 | Confident | 8 Ų | 8 | 54.8 Ų | 54.8 | 6% | 0.056 | 29% | 0.288 | C | S | . | . | trans | -81.7 | 138.9 | 176.3 | 57.8 | 0 | 0 | 0 | 0 | 112.2 | F969 R1016 I1017 | F969-S973 WeakPolarHBondContact O-CB 3.22Å; F969-S973 PolarHBondContact O-N 3.44Å; F969-S973 PolarHBondContact O-OG 2.67Å; S973-R1016 PolarHBondContact OG-NH2 3Å; S973-I1017 WeakPolarHBondContact CA-O 3Å | ||
| 974 | E | 81.6 | Confident | 77.6 | Confident | 14 Ų | 14 | 58 Ų | 58 | 7% | 0.065 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 139 | 167.5 | -68.4 | -162.9 | -162.5 | 0 | 0 | 109.6 | L918 R976 R1016 I1017 Y1072 R1076 | L918-E974 HydrophobicContact CD2-CG 3.47Å; L918-E974 VanDerWaalsContact CD2-CG 3.47Å; L918-E974 HydrophobicContact CG-CG 4.05Å; E974-R976 IonicContact OE2-CZ 3.1Å; E974-R976 IonicContact OE2-NE 2.67Å; E974-R976 PolarHBondContact OE2-NE 3.03Å; E974-R976 IonicContact OE2-NH2 2.99Å; E974-R976 PolarHBondContact OE2-NH2 2.99Å; E974-R1016 CarbonylContact O-C 3.52Å; E974-R1016 VanDerWaalsContact O-CA 3.32Å; E974-R1016 WeakPolarHBondContact O-CA 3.28Å; E974-I1017 HydrophobicContact CB-CD1 4.38Å; E974-I1017 HydrophobicContact CB-CG1 3.87Å; E974-I1017 PolarHBondContact N-O 3.12Å; E974-I1017 PolarHBondContact O-N 3.14Å; E974-Y1072 PolarHBondContact OE1-OH 2.98Å; E974-Y1072 VanDerWaalsContact OE1-OH 3.14Å; E974-R1076 IonicContact OE1-CZ 2.65Å; E974-R1076 IonicContact OE1-NH1 2.69Å; E974-R1076 PolarHBondContact OE1-NH1 3.48Å; E974-R1076 IonicContact OE1-NH2 2.71Å; E974-R1076 PolarHBondContact OE1-NH2 2.79Å; E974-R1076 IonicContact OE2-NH2 3.7Å |
| 975 | N | 73.6 | Confident | 76.6 | Confident | 58 Ų | 58 | 56.1 Ų | 56.1 | 31% | 0.31 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 113.2 | 177 | -157.6 | -0.5 | 0 | 0 | 0 | 111.1 | G916 N1014 C1015 R1016 | G916-N975 WeakPolarHBondContact CA-O 3.47Å; N975-N1014 PolarHBondContact ND2-ND2 2.9Å; N975-N1014 PolarHBondContact OD1-ND2 3.3Å; N975-N1014 VanDerWaalsContact OD1-ND2 3.14Å; N975-N1014 PolarHBondContact OD1-OD1 3.17Å; N975-C1015 PolarHBondContact OD1-O 3.35Å; N975-R1016 HydrophobicContact CB-CG 4.04Å; N975-R1016 VanDerWaalsContact CG-CG 3.48Å; N975-R1016 WeakPolarHBondContact OD1-CG 3.47Å |
| 976 | R | 72 | Confident | 75.8 | Confident | 87 Ų | 87 | 56.6 Ų | 56.6 | 33% | 0.328 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 123.6 | -172.3 | -63.1 | -71.3 | -173.6 | -179.6 | -2.2 | 110.2 | E974 P992 C1015 | E974-R976 IonicContact OE2-CZ 3.1Å; E974-R976 IonicContact OE2-NE 2.67Å; E974-R976 PolarHBondContact OE2-NE 3.03Å; E974-R976 IonicContact OE2-NH2 2.99Å; E974-R976 PolarHBondContact OE2-NH2 2.99Å; R976-P992 HydrophobicContact CB-CB 3.81Å; R976-P992 HydrophobicContact CB-CG 3.53Å; R976-P992 HydrophobicContact CG-CG 3.8Å; R976-C1015 PolarHBondContact N-O 3.16Å; R976-C1015 PolarHBondContact O-N 3Å |
| 977 | S | 66.7 | Low | 75.2 | Confident | 68 Ų | 68 | 59.7 Ų | 59.7 | 48% | 0.476 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 132.9 | 176.9 | -31.3 | 0 | 0 | 0 | 0 | 111.2 | L1013 N1014 | S977-L1013 VanDerWaalsContact CA-O 3.31Å; S977-L1013 WeakPolarHBondContact CA-O 3.28Å; S977-N1014 PolarHBondContact OG-OD1 3.45Å |
| 978 | L | 66.4 | Low | 74.6 | Confident | 10 Ų | 10 | 60.9 Ų | 60.9 | 5% | 0.052 | 31% | 0.313 | C | S | . | . | trans | -80.3 | 126 | 173.9 | -66.5 | 177.7 | 0 | 0 | 0 | 109.9 | R980 L982 Y985 P992 I993 A996 G1012 L1013 | L978-R980 VanDerWaalsContact C-N 3.3Å; L978-R980 PolarHBondContact O-N 2.99Å; L978-L982 HydrophobicContact CD1-CD1 4.3Å; L978-L982 HydrophobicContact CD1-CG 4.31Å; L978-Y985 HydrophobicContact CB-CE2 3.99Å; L978-Y985 HydrophobicContact CD2-CE2 4.08Å; L978-Y985 HydrophobicContact CG-CE2 4.44Å; L978-P992 HydrophobicContact CD2-CB 4.02Å; L978-I993 HydrophobicContact CD2-CG1 3.79Å; L978-A996 HydrophobicContact CD1-CB 3.51Å; L978-G1012 CarbonylContact O-C 3.42Å; L978-G1012 WeakPolarHBondContact O-CA 3.3Å; L978-G1012 PolarHBondContact O-N 3.07Å; L978-L1013 PolarHBondContact N-O 3.24Å | ||
| 979 | S | 59.9 | Low | 73.9 | Confident | 97 Ų | 97 | 69.4 Ų | 69.4 | 68% | 0.678 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -78.5 | -11.8 | -176.4 | 57.4 | 0 | 0 | 0 | 0 | 114.7 | Y985 | S979-Y985 PolarHBondContact N-OH 2.63Å; S979-Y985 PolarHBondContact OG-OH 3.33Å |
| 980 | R | 67.2 | Low | 73.7 | Confident | 145 Ų | 145 | 70.6 Ų | 70.6 | 55% | 0.547 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -130.8 | 171.3 | -179.2 | -58 | -177.9 | -175 | 173.4 | -1.5 | 109.2 | L978 D984 Y985 | L978-R980 VanDerWaalsContact C-N 3.3Å; L978-R980 PolarHBondContact O-N 2.99Å; R980-D984 HydrophobicContact CB-CB 3.79Å; R980-Y985 HydrophobicContact CB-CD2 4.39Å; R980-Y985 HydrophobicContact CB-CE2 3.67Å; R980-Y985 PolarHBondContact N-OH 3.2Å |
| 981 | S | 69.2 | Low | 73.8 | Confident | 17 Ų | 17 | 66.1 Ų | 66.1 | 12% | 0.119 | 34% | 0.34 | C | S | . | . | trans | -63.6 | 159.3 | 171.5 | 64.5 | 0 | 0 | 0 | 0 | 110.3 | E983 D984 Y985 | S981-E983 PolarHBondContact O-N 3.21Å; S981-D984 PolarHBondContact O-N 2.71Å; S981-D984 VanDerWaalsContact OG-CG 3.3Å; S981-D984 PolarHBondContact OG-N 3.09Å; S981-D984 PolarHBondContact OG-OD2 2.92Å; S981-Y985 WeakPolarHBondContact O-CD2 3.43Å | ||
| 982 | L | 68.2 | Low | 73.5 | Confident | 12 Ų | 12 | 66.7 Ų | 66.7 | 6% | 0.063 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -34 | 176.8 | -110.3 | 119.6 | 0 | 0 | 0 | 112.2 | L978 D984 Y985 A996 K997 I1008 L1013 | L978-L982 HydrophobicContact CD1-CD1 4.3Å; L978-L982 HydrophobicContact CD1-CG 4.31Å; L982-D984 PolarHBondContact O-N 3.46Å; L982-Y985 PolarHBondContact O-N 2.9Å; L982-A996 HydrophobicContact CD1-CB 3.53Å; L982-A996 HydrophobicContact CD2-CB 4.28Å; L982-A996 HydrophobicContact CG-CB 4.12Å; L982-K997 HydrophobicContact CD2-CB 4.32Å; L982-K997 HydrophobicContact CD2-CD 4.4Å; L982-K997 HydrophobicContact CD2-CG 3.33Å; L982-I1008 HydrophobicContact CB-CB 4.47Å; L982-I1008 HydrophobicContact CB-CG2 3.86Å; L982-I1008 PolarHBondContact N-O 3Å; L982-L1013 HydrophobicContact CD1-CD2 4.17Å |
| 983 | E | 70.1 | Confident | 73.2 | Confident | 136 Ų | 136 | 66.8 Ų | 66.8 | 64% | 0.636 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -61.3 | -41 | 178.7 | -67 | 178.5 | -178.4 | 0 | 0 | 112.2 | S981 Y985 S986 I1008 | S981-E983 PolarHBondContact O-N 3.21Å; E983-Y985 PolarHBondContact O-N 3.08Å; E983-Y985 VanDerWaalsContact O-N 3.15Å; E983-S986 PolarHBondContact O-N 3.29Å; E983-S986 VanDerWaalsContact O-N 3.12Å; E983-I1008 HydrophobicContact CG-CG2 3.81Å |
| 984 | D | 69.3 | Low | 73.2 | Confident | 101 Ų | 101 | 67.1 Ų | 67.1 | 54% | 0.54 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -65.3 | -18.9 | -179.2 | -72 | -20.6 | 0 | 0 | 0 | 113.4 | R980 S981 L982 | R980-D984 HydrophobicContact CB-CB 3.79Å; S981-D984 PolarHBondContact O-N 2.71Å; S981-D984 VanDerWaalsContact OG-CG 3.3Å; S981-D984 PolarHBondContact OG-N 3.09Å; S981-D984 PolarHBondContact OG-OD2 2.92Å; L982-D984 PolarHBondContact O-N 3.46Å |
| 985 | Y | 68.9 | Low | 73.5 | Confident | 30 Ų | 30 | 66.4 Ų | 66.4 | 12% | 0.118 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -87.3 | -11.3 | 178.4 | -70.8 | -76 | 0 | 0 | 0 | 113.6 | L978 S979 R980 S981 L982 E983 N987 Q988 I993 | L978-Y985 HydrophobicContact CB-CE2 3.99Å; L978-Y985 HydrophobicContact CD2-CE2 4.08Å; L978-Y985 HydrophobicContact CG-CE2 4.44Å; S979-Y985 PolarHBondContact N-OH 2.63Å; S979-Y985 PolarHBondContact OG-OH 3.33Å; R980-Y985 HydrophobicContact CB-CD2 4.39Å; R980-Y985 HydrophobicContact CB-CE2 3.67Å; R980-Y985 PolarHBondContact N-OH 3.2Å; S981-Y985 WeakPolarHBondContact O-CD2 3.43Å; L982-Y985 PolarHBondContact O-N 2.9Å; E983-Y985 PolarHBondContact O-N 3.08Å; E983-Y985 VanDerWaalsContact O-N 3.15Å; Y985-N987 PolarHBondContact O-N 3.03Å; Y985-Q988 WeakPolarHBondContact O-CB 3.39Å; Y985-Q988 WeakPolarHBondContact O-CG 3.3Å; Y985-Q988 PolarHBondContact O-N 2.97Å; Y985-Q988 VanDerWaalsContact O-N 3.14Å; Y985-I993 HydrophobicContact CD1-CD1 3.88Å; Y985-I993 HydrophobicContact CG-CD1 3.9Å; Y985-I993 HydrophobicContact CG-CG1 4.32Å |
| 986 | S | 66.6 | Low | 73.9 | Confident | 78 Ų | 78 | 63.7 Ų | 63.7 | 55% | 0.545 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | -115.4 | 176.7 | 65.1 | 0 | 0 | 0 | 0 | 113.7 | E983 | E983-S986 PolarHBondContact O-N 3.29Å; E983-S986 VanDerWaalsContact O-N 3.12Å |
| 987 | N | 68.3 | Low | 74.5 | Confident | 147 Ų | 147 | 63.7 Ų | 63.7 | 79% | 0.786 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 8.7 | -173.7 | -67.1 | -17.7 | 0 | 0 | 0 | 114.1 | Y985 R989 | Y985-N987 PolarHBondContact O-N 3.03Å; N987-R989 PolarHBondContact O-N 3.34Å |
| 988 | Q | 72.1 | Confident | 75.6 | Confident | 117 Ų | 117 | 61.4 Ų | 61.4 | 55% | 0.547 | 31% | 0.312 | S | S | . | . | trans | -70.9 | 126.4 | 178.6 | -65.5 | -178.6 | 14.5 | 0 | 0 | 110.9 | Y985 I993 | Y985-Q988 WeakPolarHBondContact O-CB 3.39Å; Y985-Q988 WeakPolarHBondContact O-CG 3.3Å; Y985-Q988 PolarHBondContact O-N 2.97Å; Y985-Q988 VanDerWaalsContact O-N 3.14Å; Q988-I993 HydrophobicContact CB-CD1 3.71Å; Q988-I993 WeakPolarHBondContact O-CD1 3.41Å; Q988-I993 WeakPolarHBondContact O-CG2 3.48Å | ||
| 989 | R | 75 | Confident | 76.4 | Confident | 180 Ų | 180 | 61.7 Ų | 61.7 | 68% | 0.679 | 31% | 0.313 | S | S | * | . | trans | -109.8 | 56.6 | -174.9 | -60.6 | -173 | -179.6 | -159 | 1.5 | 113 | N987 S1029 E1030 | N987-R989 PolarHBondContact O-N 3.34Å; R989-S1029 WeakPolarHBondContact O-CB 3.24Å; R989-S1029 PolarHBondContact O-OG 2.79Å; R989-S1029 VanDerWaalsContact O-OG 3.08Å; R989-E1030 WeakPolarHBondContact CD-OE1 3.46Å; R989-E1030 IonicContact NH1-OE1 2.84Å | ||
| 990 | S | 82.9 | Confident | 77.4 | Confident | 51 Ų | 51 | 57.3 Ų | 57.3 | 36% | 0.357 | 28% | 0.283 | S | S | . | . | trans | -85 | 154.4 | 174.2 | 73.4 | 0 | 0 | 0 | 0 | 111.3 | P992 I993 V994 | S990-P992 VanDerWaalsContact C-CD 3.48Å; S990-P992 VanDerWaalsContact C-N 3.33Å; S990-I993 PolarHBondContact O-N 2.63Å; S990-I993 VanDerWaalsContact OG-CD1 3.23Å; S990-I993 WeakPolarHBondContact OG-CD1 3.44Å; S990-I993 VanDerWaalsContact OG-CG1 3.27Å; S990-I993 WeakPolarHBondContact OG-CG1 3.42Å; S990-V994 PolarHBondContact O-N 3.41Å | ||
| 991 | A | 85.5 | Confident | 78.3 | Confident | 21 Ų | 21 | 54.4 Ų | 54.4 | 17% | 0.174 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -51.6 | -42.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | V994 A995 I1017 A1032 | A991-V994 PolarHBondContact O-N 2.91Å; A991-A995 WeakPolarHBondContact O-CB 3.41Å; A991-A995 PolarHBondContact O-N 3.4Å; A991-I1017 HydrophobicContact CB-CD1 3.92Å; A991-A1032 HydrophobicContact CB-CB 3.76Å |
| 992 | P | 82.8 | Confident | 78.8 | Confident | 23 Ų | 23 | 55 Ų | 55 | 15% | 0.149 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.8 | -37 | 174.9 | -22.6 | 35.7 | 0 | 0 | 0 | 113.3 | R976 L978 S990 A996 | R976-P992 HydrophobicContact CB-CB 3.81Å; R976-P992 HydrophobicContact CB-CG 3.53Å; R976-P992 HydrophobicContact CG-CG 3.8Å; L978-P992 HydrophobicContact CD2-CB 4.02Å; S990-P992 VanDerWaalsContact C-CD 3.48Å; S990-P992 VanDerWaalsContact C-N 3.33Å; P992-A996 WeakPolarHBondContact O-CB 3.42Å; P992-A996 PolarHBondContact O-N 2.86Å |
| 993 | I | 83.3 | Confident | 79.3 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.015 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.3 | -42.9 | 178.8 | -63.2 | 167.3 | 0 | 0 | 0 | 110.2 | L978 Y985 Q988 S990 A996 K997 | L978-I993 HydrophobicContact CD2-CG1 3.79Å; Y985-I993 HydrophobicContact CD1-CD1 3.88Å; Y985-I993 HydrophobicContact CG-CD1 3.9Å; Y985-I993 HydrophobicContact CG-CG1 4.32Å; Q988-I993 HydrophobicContact CB-CD1 3.71Å; Q988-I993 WeakPolarHBondContact O-CD1 3.41Å; Q988-I993 WeakPolarHBondContact O-CG2 3.48Å; S990-I993 PolarHBondContact O-N 2.63Å; S990-I993 VanDerWaalsContact OG-CD1 3.23Å; S990-I993 WeakPolarHBondContact OG-CD1 3.44Å; S990-I993 VanDerWaalsContact OG-CG1 3.27Å; S990-I993 WeakPolarHBondContact OG-CG1 3.42Å; I993-A996 WeakPolarHBondContact O-CB 3.4Å; I993-A996 PolarHBondContact O-N 3.41Å; I993-K997 WeakPolarHBondContact O-CG 3.14Å; I993-K997 PolarHBondContact O-N 3.2Å |
| 994 | V | 87.9 | Confident | 79.5 | Confident | 14 Ų | 14 | 50.3 Ų | 50.3 | 9% | 0.085 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.3 | -46.7 | 176.3 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | S990 A991 A996 K997 R998 S1029 | S990-V994 PolarHBondContact O-N 3.41Å; A991-V994 PolarHBondContact O-N 2.91Å; V994-A996 VanDerWaalsContact C-N 3.29Å; V994-A996 PolarHBondContact O-N 3.48Å; V994-K997 PolarHBondContact O-N 3.41Å; V994-R998 WeakPolarHBondContact O-CB 3.41Å; V994-R998 WeakPolarHBondContact O-CG 3.38Å; V994-R998 PolarHBondContact O-N 2.93Å; V994-S1029 WeakPolarHBondContact CB-O 3.34Å |
| 995 | A | 86.8 | Confident | 79.5 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.2 | -33.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A991 R998 L999 C1015 I1017 | A991-A995 WeakPolarHBondContact O-CB 3.41Å; A991-A995 PolarHBondContact O-N 3.4Å; A995-R998 PolarHBondContact O-N 3.43Å; A995-L999 WeakPolarHBondContact O-CG 3.4Å; A995-L999 PolarHBondContact O-N 2.88Å; A995-C1015 HydrophobicContact CB-CB 4.28Å; A995-I1017 HydrophobicContact CB-CB 4.37Å; A995-I1017 HydrophobicContact CB-CG2 3.2Å |
| 996 | A | 82.7 | Confident | 79.4 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.9 | -41.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | L978 L982 P992 I993 V994 L999 A1000 L1013 | L978-A996 HydrophobicContact CD1-CB 3.51Å; L982-A996 HydrophobicContact CD1-CB 3.53Å; L982-A996 HydrophobicContact CD2-CB 4.28Å; L982-A996 HydrophobicContact CG-CB 4.12Å; P992-A996 WeakPolarHBondContact O-CB 3.42Å; P992-A996 PolarHBondContact O-N 2.86Å; I993-A996 WeakPolarHBondContact O-CB 3.4Å; I993-A996 PolarHBondContact O-N 3.41Å; V994-A996 VanDerWaalsContact C-N 3.29Å; V994-A996 PolarHBondContact O-N 3.48Å; A996-L999 PolarHBondContact O-N 3.22Å; A996-A1000 PolarHBondContact O-N 3.33Å; A996-L1013 HydrophobicContact CB-CD2 3.45Å; A996-L1013 VanDerWaalsContact CB-CD2 3.45Å |
| 997 | K | 84.9 | Confident | 79.3 | Confident | 88 Ų | 88 | 50.7 Ų | 50.7 | 38% | 0.383 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 170.7 | -70.7 | -176.6 | -180 | -172.3 | 0 | 110.7 | L982 I993 V994 L999 A1000 E1001 | L982-K997 HydrophobicContact CD2-CB 4.32Å; L982-K997 HydrophobicContact CD2-CD 4.4Å; L982-K997 HydrophobicContact CD2-CG 3.33Å; I993-K997 WeakPolarHBondContact O-CG 3.14Å; I993-K997 PolarHBondContact O-N 3.2Å; V994-K997 PolarHBondContact O-N 3.41Å; K997-L999 PolarHBondContact O-N 3.07Å; K997-A1000 WeakPolarHBondContact O-CB 3.49Å; K997-A1000 PolarHBondContact O-N 2.96Å; K997-A1000 VanDerWaalsContact O-N 3.14Å; K997-E1001 WeakPolarHBondContact O-CG 3.35Å; K997-E1001 PolarHBondContact O-N 2.97Å |
| 998 | R | 89.4 | Confident | 79.1 | Confident | 20 Ų | 20 | 45.7 Ų | 45.7 | 8% | 0.075 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62 | -38.2 | 175.7 | -73.5 | -179.8 | 173.2 | 164 | 1.2 | 113.2 | V994 A995 E1001 F1002 E1030 A1032 P1034 W1052 | V994-R998 WeakPolarHBondContact O-CB 3.41Å; V994-R998 WeakPolarHBondContact O-CG 3.38Å; V994-R998 PolarHBondContact O-N 2.93Å; A995-R998 PolarHBondContact O-N 3.43Å; R998-E1001 PolarHBondContact O-N 3.45Å; R998-F1002 WeakPolarHBondContact O-CD1 3.23Å; R998-E1030 VanDerWaalsContact CZ-O 3.23Å; R998-E1030 PolarHBondContact NH1-O 3.33Å; R998-E1030 PolarHBondContact NH2-O 2.98Å; R998-A1032 PolarHBondContact NH1-O 3.2Å; R998-P1034 HydrophobicContact CB-CG 3.99Å; R998-W1052 HydrophobicContact CB-CD2 4.29Å; R998-W1052 HydrophobicContact CB-CH2 3.83Å; R998-W1052 HydrophobicContact CB-CZ2 3.49Å; R998-W1052 VanDerWaalsContact CB-CZ2 3.49Å; R998-W1052 HydrophobicContact CB-CZ3 4.35Å; R998-W1052 HydrophobicContact CG-CD2 3.95Å; R998-W1052 HydrophobicContact CG-CG 4.27Å; R998-W1052 HydrophobicContact CG-CZ2 3.92Å; R998-W1052 WeakPolarHBondContact O-CZ2 3.32Å |
| 999 | L | 83.1 | Confident | 78.6 | Confident | 16 Ų | 16 | 47.3 Ų | 47.3 | 8% | 0.084 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.8 | -46.5 | 171.7 | -81.3 | 162.6 | 0 | 0 | 0 | 111 | A995 A996 K997 E1001 F1002 L1003 L1013 C1015 P1034 A1036 | A995-L999 WeakPolarHBondContact O-CG 3.4Å; A995-L999 PolarHBondContact O-N 2.88Å; A996-L999 PolarHBondContact O-N 3.22Å; K997-L999 PolarHBondContact O-N 3.07Å; L999-E1001 VanDerWaalsContact C-N 3.3Å; L999-E1001 PolarHBondContact O-N 3.2Å; L999-F1002 HydrophobicContact CD2-CE1 4.01Å; L999-F1002 HydrophobicContact CD2-CZ 4.39Å; L999-F1002 PolarHBondContact O-N 2.83Å; L999-L1003 HydrophobicContact CB-CD1 4.5Å; L999-L1003 HydrophobicContact CD2-CD1 3.7Å; L999-L1003 VanDerWaalsContact O-CB 3.27Å; L999-L1003 WeakPolarHBondContact O-CB 3.35Å; L999-L1003 WeakPolarHBondContact O-CG 3.29Å; L999-L1003 PolarHBondContact O-N 3.28Å; L999-L1013 HydrophobicContact CD1-CD2 4.29Å; L999-C1015 HydrophobicContact CD1-CB 4.36Å; L999-P1034 HydrophobicContact CD1-CB 4.04Å; L999-P1034 HydrophobicContact CD2-CB 3.72Å; L999-P1034 HydrophobicContact CD2-CG 4.22Å; L999-P1034 HydrophobicContact CG-CB 3.53Å; L999-P1034 HydrophobicContact CG-CG 3.96Å; L999-A1036 HydrophobicContact CD2-CB 3.73Å |
| 1000 | A | 81.9 | Confident | 77.7 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 3% | 0.033 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.6 | -37.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A996 K997 F1002 G1004 M1007 I1008 | A996-A1000 PolarHBondContact O-N 3.33Å; K997-A1000 WeakPolarHBondContact O-CB 3.49Å; K997-A1000 PolarHBondContact O-N 2.96Å; K997-A1000 VanDerWaalsContact O-N 3.14Å; A1000-F1002 VanDerWaalsContact C-N 3.3Å; A1000-F1002 PolarHBondContact O-N 3.45Å; A1000-G1004 CarbonylContact O-C 3.48Å; A1000-G1004 VanDerWaalsContact O-CA 3.24Å; A1000-G1004 WeakPolarHBondContact O-CA 3.43Å; A1000-G1004 PolarHBondContact O-N 3.49Å; A1000-M1007 HydrophobicContact CB-CB 4.26Å; A1000-I1008 HydrophobicContact CB-CD1 4.08Å; A1000-I1008 HydrophobicContact CB-CG1 3.68Å |
| 1001 | E | 84.5 | Confident | 76.4 | Confident | 84 Ų | 84 | 44.8 Ų | 44.8 | 39% | 0.393 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.5 | -35.4 | 179.2 | -77.7 | 172.3 | -148.9 | 0 | 0 | 113.9 | K997 R998 L999 F1048 W1052 | K997-E1001 WeakPolarHBondContact O-CG 3.35Å; K997-E1001 PolarHBondContact O-N 2.97Å; R998-E1001 PolarHBondContact O-N 3.45Å; L999-E1001 VanDerWaalsContact C-N 3.3Å; L999-E1001 PolarHBondContact O-N 3.2Å; E1001-F1048 HydrophobicContact CB-CE1 4.12Å; E1001-W1052 PolarHBondContact OE2-NE1 3.03Å |
| 1002 | F | 81 | Confident | 75.1 | Confident | 31 Ų | 31 | 45.9 Ų | 45.9 | 14% | 0.136 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -110 | -20.9 | -179 | 86.9 | -90 | 0 | 0 | 0 | 115.4 | L244 R998 L999 A1000 P1034 A1036 I1037 A1040 V1044 F1048 W1052 | L244-F1002 HydrophobicContact CD1-CE2 3.62Å; L244-F1002 HydrophobicContact CD1-CZ 4.06Å; R998-F1002 WeakPolarHBondContact O-CD1 3.23Å; L999-F1002 HydrophobicContact CD2-CE1 4.01Å; L999-F1002 HydrophobicContact CD2-CZ 4.39Å; L999-F1002 PolarHBondContact O-N 2.83Å; A1000-F1002 VanDerWaalsContact C-N 3.3Å; A1000-F1002 PolarHBondContact O-N 3.45Å; F1002-P1034 HydrophobicContact CE1-CG 4.5Å; F1002-A1036 HydrophobicContact CZ-CB 3.97Å; F1002-I1037 HydrophobicContact CD1-CD1 4.17Å; F1002-I1037 HydrophobicContact CD2-CD1 4.29Å; F1002-I1037 HydrophobicContact CE1-CD1 4.17Å; F1002-I1037 HydrophobicContact CE2-CD1 4.26Å; F1002-I1037 HydrophobicContact CG-CD1 4.23Å; F1002-I1037 HydrophobicContact CZ-CD1 4.22Å; F1002-A1040 HydrophobicContact CE2-CB 4.19Å; F1002-V1044 HydrophobicContact CD2-CG1 3.95Å; F1002-F1048 HydrophobicContact CB-CD1 3.95Å; F1002-F1048 HydrophobicContact CB-CD2 3.4Å; F1002-F1048 VanDerWaalsContact CB-CD2 3.4Å; F1002-F1048 HydrophobicContact CB-CE1 3.67Å; F1002-F1048 HydrophobicContact CB-CE2 3.13Å; F1002-F1048 HydrophobicContact CB-CG 3.83Å; F1002-F1048 HydrophobicContact CB-CZ 3.26Å; F1002-F1048 HydrophobicContact CG-CD2 4.24Å; F1002-F1048 HydrophobicContact CG-CE2 4.31Å; F1002-W1052 AromaticContact CD1-CH2 3.81Å; F1002-W1052 HydrophobicContact CD1-CH2 3.81Å; F1002-W1052 HydrophobicContact CD1-CZ2 4.28Å; F1002-W1052 HydrophobicContact CE1-CH2 4.15Å |
| 1003 | L | 78 | Confident | 74.3 | Confident | 18 Ų | 18 | 45.1 Ų | 45.1 | 9% | 0.094 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -94.9 | -16.5 | 176.4 | -59.4 | 174.7 | 0 | 0 | 0 | 112.6 | L244 K245 L999 M1007 | L244-L1003 HydrophobicContact CB-CD1 4.13Å; L244-L1003 HydrophobicContact CB-CD2 3.44Å; L244-L1003 VanDerWaalsContact CB-CD2 3.44Å; L244-L1003 HydrophobicContact CB-CG 4.44Å; L244-L1003 HydrophobicContact CD1-CD2 4.04Å; L244-L1003 HydrophobicContact CG-CD2 4.38Å; L244-L1003 WeakPolarHBondContact O-CD1 3.32Å; K245-L1003 WeakPolarHBondContact CE-O 3.47Å; K245-L1003 PolarHBondContact NZ-O 3.03Å; L999-L1003 HydrophobicContact CB-CD1 4.5Å; L999-L1003 HydrophobicContact CD2-CD1 3.7Å; L999-L1003 VanDerWaalsContact O-CB 3.27Å; L999-L1003 WeakPolarHBondContact O-CB 3.35Å; L999-L1003 WeakPolarHBondContact O-CG 3.29Å; L999-L1003 PolarHBondContact O-N 3.28Å; L1003-M1007 HydrophobicContact CB-CG 4.3Å |
| 1004 | G | 73.7 | Confident | 73.5 | Confident | 31 Ų | 31 | 48.4 Ų | 48.4 | 32% | 0.32 | 26% | 0.26 | S | S | . | . | trans | 103.1 | 159.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | A1000 E1006 M1007 | A1000-G1004 CarbonylContact O-C 3.48Å; A1000-G1004 VanDerWaalsContact O-CA 3.24Å; A1000-G1004 WeakPolarHBondContact O-CA 3.43Å; A1000-G1004 PolarHBondContact O-N 3.49Å; G1004-E1006 PolarHBondContact O-N 3.37Å; G1004-M1007 PolarHBondContact O-N 3.15Å | ||
| 1005 | D | 71 | Confident | 72.8 | Confident | 97 Ų | 97 | 47.8 Ų | 47.8 | 52% | 0.519 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -15.2 | -170.1 | -64.8 | -33.4 | 0 | 0 | 0 | 115.5 | M1007 I1008 | D1005-M1007 PolarHBondContact O-N 2.9Å; D1005-M1007 VanDerWaalsContact O-N 3.11Å; D1005-I1008 HydrophobicContact CB-CD1 4.25Å; D1005-I1008 VanDerWaalsContact O-CB 3.29Å; D1005-I1008 WeakPolarHBondContact O-CB 3.09Å; D1005-I1008 PolarHBondContact O-N 3.49Å |
| 1006 | E | 66.2 | Low | 72.6 | Confident | 104 Ų | 104 | 52.2 Ų | 52.2 | 49% | 0.486 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.7 | -24.4 | 176.2 | -62.8 | -161.4 | 144.3 | 0 | 0 | 112.3 | G1004 I1008 K1009 | G1004-E1006 PolarHBondContact O-N 3.37Å; E1006-I1008 PolarHBondContact O-N 2.84Å; E1006-K1009 PolarHBondContact O-N 2.99Å |
| 1007 | M | 65.3 | Low | 72.9 | Confident | 15 Ų | 15 | 52.4 Ų | 52.4 | 7% | 0.074 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.6 | -21.2 | 174 | -65.4 | -83.7 | 57.4 | 0 | 0 | 114.1 | F246 A1000 L1003 G1004 D1005 L1013 | F246-M1007 HydrophobicContact CD2-CE 4.34Å; A1000-M1007 HydrophobicContact CB-CB 4.26Å; L1003-M1007 HydrophobicContact CB-CG 4.3Å; G1004-M1007 PolarHBondContact O-N 3.15Å; D1005-M1007 PolarHBondContact O-N 2.9Å; D1005-M1007 VanDerWaalsContact O-N 3.11Å; M1007-L1013 HydrophobicContact CB-CD1 4.21Å; M1007-L1013 HydrophobicContact CE-CD1 3.51Å; M1007-L1013 HydrophobicContact SD-CD1 3.75Å |
| 1008 | I | 63 | Low | 73.3 | Confident | 42 Ų | 42 | 48.2 Ų | 48.2 | 22% | 0.215 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -75.1 | -32.2 | -179.2 | -59.8 | 174.7 | 0 | 0 | 0 | 111.2 | L982 E983 A1000 D1005 E1006 Q1010 | L982-I1008 HydrophobicContact CB-CB 4.47Å; L982-I1008 HydrophobicContact CB-CG2 3.86Å; L982-I1008 PolarHBondContact N-O 3Å; E983-I1008 HydrophobicContact CG-CG2 3.81Å; A1000-I1008 HydrophobicContact CB-CD1 4.08Å; A1000-I1008 HydrophobicContact CB-CG1 3.68Å; D1005-I1008 HydrophobicContact CB-CD1 4.25Å; D1005-I1008 VanDerWaalsContact O-CB 3.29Å; D1005-I1008 WeakPolarHBondContact O-CB 3.09Å; D1005-I1008 PolarHBondContact O-N 3.49Å; E1006-I1008 PolarHBondContact O-N 2.84Å; I1008-Q1010 PolarHBondContact O-N 2.94Å |
| 1009 | K | 61.3 | Low | 73.5 | Confident | 152 Ų | 152 | 47.4 Ų | 47.4 | 66% | 0.661 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -75.5 | -23.2 | -174.6 | -63.6 | 178 | -175.2 | 166.1 | 0 | 113.2 | E1006 | E1006-K1009 PolarHBondContact O-N 2.99Å |
| 1010 | Q | 55.4 | Low | 73.9 | Confident | 92 Ų | 92 | 46.7 Ų | 46.7 | 43% | 0.43 | 25% | 0.249 | S | C | . | . | trans | -87.9 | 124.3 | -174.2 | -64.1 | -174.2 | -7.6 | 0 | 0 | 111.7 | I1008 | I1008-Q1010 PolarHBondContact O-N 2.94Š| ||
| 1011 | S | 57 | Low | 74.3 | Confident | 86 Ų | 86 | 50.6 Ų | 50.6 | 60% | 0.601 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | 145.3 | 165.8 | 63.3 | 0 | 0 | 0 | 0 | 110.4 | ||
| 1012 | G | 57.3 | Low | 74.4 | Confident | 43 Ų | 43 | 47.8 Ų | 47.8 | 44% | 0.443 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.1 | 2.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L978 N1014 | L978-G1012 CarbonylContact O-C 3.42Å; L978-G1012 WeakPolarHBondContact O-CA 3.3Å; L978-G1012 PolarHBondContact O-N 3.07Å; G1012-N1014 PolarHBondContact O-N 2.86Å |
| 1013 | L | 66.5 | Low | 74.6 | Confident | 8 Ų | 8 | 47 Ų | 47 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | trans | -50.4 | 120.6 | -176.4 | -165.6 | 91.7 | 0 | 0 | 0 | 111.5 | S977 L978 L982 A996 L999 M1007 | S977-L1013 VanDerWaalsContact CA-O 3.31Å; S977-L1013 WeakPolarHBondContact CA-O 3.28Å; L978-L1013 PolarHBondContact N-O 3.24Å; L982-L1013 HydrophobicContact CD1-CD2 4.17Å; A996-L1013 HydrophobicContact CB-CD2 3.45Å; A996-L1013 VanDerWaalsContact CB-CD2 3.45Å; L999-L1013 HydrophobicContact CD1-CD2 4.29Å; M1007-L1013 HydrophobicContact CB-CD1 4.21Å; M1007-L1013 HydrophobicContact CE-CD1 3.51Å; M1007-L1013 HydrophobicContact SD-CD1 3.75Å | ||
| 1014 | N | 65.9 | Low | 74.7 | Confident | 72 Ų | 72 | 52.7 Ų | 52.7 | 39% | 0.385 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 110.7 | -178.4 | -161.7 | 29.3 | 0 | 0 | 0 | 110.9 | N975 S977 G1012 | N975-N1014 PolarHBondContact ND2-ND2 2.9Å; N975-N1014 PolarHBondContact OD1-ND2 3.3Å; N975-N1014 VanDerWaalsContact OD1-ND2 3.14Å; N975-N1014 PolarHBondContact OD1-OD1 3.17Å; S977-N1014 PolarHBondContact OG-OD1 3.45Å; G1012-N1014 PolarHBondContact O-N 2.86Å |
| 1015 | C | 74.1 | Confident | 75 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 109.9 | -178.8 | -61.8 | 0 | 0 | 0 | 0 | 110 | N975 R976 A995 L999 I1017 | N975-C1015 PolarHBondContact OD1-O 3.35Å; R976-C1015 PolarHBondContact N-O 3.16Å; R976-C1015 PolarHBondContact O-N 3Å; A995-C1015 HydrophobicContact CB-CB 4.28Å; L999-C1015 HydrophobicContact CD1-CB 4.36Å; C1015-I1017 HydrophobicContact CB-CG2 3.9Å |
| 1016 | R | 82 | Confident | 75.8 | Confident | 93 Ų | 93 | 54.8 Ų | 54.8 | 35% | 0.351 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 122.5 | 159.8 | -75.9 | -174.4 | 80.8 | 172.9 | 2.6 | 108.5 | S973 E974 N975 P1034 L1035 | S973-R1016 PolarHBondContact OG-NH2 3Å; E974-R1016 CarbonylContact O-C 3.52Å; E974-R1016 VanDerWaalsContact O-CA 3.32Å; E974-R1016 WeakPolarHBondContact O-CA 3.28Å; N975-R1016 HydrophobicContact CB-CG 4.04Å; N975-R1016 VanDerWaalsContact CG-CG 3.48Å; N975-R1016 WeakPolarHBondContact OD1-CG 3.47Å; R1016-P1034 CarbonylContact O-C 3.34Å; R1016-P1034 WeakPolarHBondContact O-CA 3.04Å; R1016-L1035 HydrophobicContact CB-CB 3.95Å; R1016-L1035 HydrophobicContact CB-CD2 4.49Å; R1016-L1035 PolarHBondContact O-N 3.47Å |
| 1017 | I | 89.3 | Confident | 76.8 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 148.7 | -172.6 | 66.8 | 176.7 | 0 | 0 | 0 | 111.2 | S973 E974 A991 A995 C1015 A1032 V1033 | S973-I1017 WeakPolarHBondContact CA-O 3Å; E974-I1017 HydrophobicContact CB-CD1 4.38Å; E974-I1017 HydrophobicContact CB-CG1 3.87Å; E974-I1017 PolarHBondContact N-O 3.12Å; E974-I1017 PolarHBondContact O-N 3.14Å; A991-I1017 HydrophobicContact CB-CD1 3.92Å; A995-I1017 HydrophobicContact CB-CB 4.37Å; A995-I1017 HydrophobicContact CB-CG2 3.2Å; C1015-I1017 HydrophobicContact CB-CG2 3.9Å; I1017-A1032 HydrophobicContact CD1-CB 4.34Å; I1017-V1033 WeakPolarHBondContact CA-O 3.29Å |
| 1018 | V | 92.5 | Very high | 77.7 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 151.9 | 164.9 | -69.5 | 0 | 0 | 0 | 0 | 109.3 | F969 I972 L1020 A1032 V1033 L1035 F1038 L1068 Y1073 | F969-V1018 HydrophobicContact CD1-CG1 4.06Å; F969-V1018 HydrophobicContact CE1-CG1 4.34Å; I972-V1018 HydrophobicContact CG1-CG1 4.35Å; V1018-L1020 HydrophobicContact CG2-CD2 3.97Å; V1018-A1032 WeakPolarHBondContact O-CA 3.39Å; V1018-V1033 PolarHBondContact N-O 3.46Å; V1018-V1033 PolarHBondContact O-N 2.76Å; V1018-L1035 HydrophobicContact CG1-CD1 3.62Å; V1018-L1035 HydrophobicContact CG2-CD1 4.49Å; V1018-F1038 HydrophobicContact CG2-CE2 3.7Å; V1018-F1038 HydrophobicContact CG2-CZ 4.36Å; V1018-L1068 HydrophobicContact CB-CD2 4.39Å; V1018-Y1073 WeakPolarHBondContact CA-OH 3.18Å |
| 1019 | I | 93.8 | Very high | 78.9 | Confident | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 118.2 | 179.2 | -56.4 | -51.6 | 0 | 0 | 0 | 108.1 | T1028 R1031 A1032 D1069 Y1072 Y1073 | I1019-T1028 HydrophobicContact CD1-CG2 4.22Å; I1019-T1028 HydrophobicContact CG1-CG2 4.26Å; I1019-T1028 HydrophobicContact CG2-CG2 3.93Å; I1019-R1031 HydrophobicContact CG2-CB 4.43Å; I1019-R1031 VanDerWaalsContact CG2-NH1 3.3Å; I1019-A1032 HydrophobicContact CD1-CB 3.63Å; I1019-D1069 HydrophobicContact CG2-CB 4.12Å; I1019-D1069 PolarHBondContact O-N 3.47Å; I1019-D1069 VanDerWaalsContact O-N 3.1Å; I1019-Y1072 HydrophobicContact CB-CD1 3.83Å; I1019-Y1072 HydrophobicContact CB-CE1 3.91Å; I1019-Y1072 HydrophobicContact CB-CG 4.4Å; I1019-Y1072 HydrophobicContact CG1-CD1 3.96Å; I1019-Y1072 HydrophobicContact CG1-CE1 3.49Å; I1019-Y1072 VanDerWaalsContact CG1-CE1 3.49Å; I1019-Y1072 HydrophobicContact CG2-CD1 4.07Å; I1019-Y1072 HydrophobicContact CG2-CE1 4.42Å; I1019-Y1072 HydrophobicContact CG2-CG 4.13Å; I1019-Y1073 PolarHBondContact N-OH 3.18Å |
| 1020 | L | 92.8 | Very high | 80.1 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -94.4 | 153.5 | 179.5 | -52.7 | -172.8 | 0 | 0 | 0 | 109.8 | V1018 E1022 R1031 V1033 L1049 L1053 V1067 L1068 | V1018-L1020 HydrophobicContact CG2-CD2 3.97Å; L1020-E1022 PolarHBondContact O-N 3.02Å; L1020-R1031 PolarHBondContact N-O 3.16Å; L1020-R1031 VanDerWaalsContact N-O 3.07Å; L1020-R1031 WeakPolarHBondContact O-CB 3.1Å; L1020-R1031 PolarHBondContact O-NH1 3.38Å; L1020-V1033 HydrophobicContact CD1-CB 3.91Å; L1020-V1033 HydrophobicContact CD1-CG1 4.37Å; L1020-V1033 HydrophobicContact CD1-CG2 3.51Å; L1020-V1033 HydrophobicContact CG-CB 4.29Å; L1020-V1033 HydrophobicContact CG-CG2 4.07Å; L1020-L1049 HydrophobicContact CD1-CD2 4.49Å; L1020-L1053 HydrophobicContact CB-CD2 4.04Å; L1020-L1053 HydrophobicContact CD1-CD2 3.48Å; L1020-L1053 VanDerWaalsContact CD1-CD2 3.48Å; L1020-L1053 HydrophobicContact CD1-CG 4.34Å; L1020-L1053 HydrophobicContact CG-CD2 4.39Å; L1020-V1067 CarbonylContact C-O 3.44Å; L1020-V1067 WeakPolarHBondContact CA-O 3.24Å; L1020-V1067 WeakPolarHBondContact CB-O 3.45Å; L1020-V1067 HydrophobicContact CD2-CG2 4.35Å; L1020-L1068 HydrophobicContact CD2-CD2 3.82Å |
| 1021 | Q | 88.8 | Confident | 81.9 | Confident | 87 Ų | 87 | 45.1 Ų | 45.1 | 41% | 0.407 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -65 | -26.6 | 178.1 | -170.5 | 176.8 | 18.4 | 0 | 0 | 111.4 | K1024 V1067 D1069 | Q1021-K1024 HydrophobicContact CG-CG 4.49Å; Q1021-V1067 PolarHBondContact N-O 3.42Å; Q1021-D1069 HydrophobicContact CB-CB 4.32Å |
| 1022 | E | 86.7 | Confident | 83.6 | Confident | 24 Ų | 24 | 41 Ų | 41 | 11% | 0.112 | 24% | 0.24 | C | C | . | . | trans | -109.8 | 151.9 | -175.4 | -75.9 | 167.7 | 177 | 0 | 0 | 111.8 | L1020 K1024 L1053 R1055 | L1020-E1022 PolarHBondContact O-N 3.02Å; E1022-K1024 HydrophobicContact CG-CD 4.28Å; E1022-K1024 HydrophobicContact CG-CG 3.89Å; E1022-K1024 WeakPolarHBondContact OE1-CE 3.5Å; E1022-K1024 IonicContact OE1-NZ 2.66Å; E1022-K1024 PolarHBondContact OE1-NZ 3.07Å; E1022-L1053 HydrophobicContact CB-CD2 3.98Å; E1022-R1055 WeakPolarHBondContact OE2-CD 3.39Å; E1022-R1055 IonicContact OE2-NH1 3.74Å | ||
| 1023 | P | 87.2 | Confident | 85.2 | Confident | 14 Ų | 14 | 39 Ų | 39 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | S | Bend | cis | -65.2 | 129.1 | -4.8 | 24.2 | -35.7 | 0 | 0 | 0 | 113.8 | G1025 E1026 R1031 W1052 K1054 | P1023-G1025 PolarHBondContact O-N 3.33Å; P1023-E1026 HydrophobicContact CB-CG 3.88Å; P1023-E1026 HydrophobicContact CG-CB 3.96Å; P1023-E1026 HydrophobicContact CG-CG 3.59Å; P1023-E1026 WeakPolarHBondContact O-CB 3.46Å; P1023-E1026 PolarHBondContact O-N 3.42Å; P1023-R1031 HydrophobicContact CG-CG 4.49Å; P1023-R1031 VanDerWaalsContact O-CD 3.3Å; P1023-R1031 WeakPolarHBondContact O-CD 3.19Å; P1023-W1052 WeakPolarHBondContact CD-O 3.29Å; P1023-K1054 HydrophobicContact CB-CB 4.38Å; P1023-K1054 HydrophobicContact CB-CD 3.75Å; P1023-K1054 HydrophobicContact CB-CG 4.46Å; P1023-K1054 HydrophobicContact CG-CD 3.95Å |
| 1024 | K | 78.2 | Confident | 86.3 | Confident | 139 Ų | 139 | 38.7 Ų | 38.7 | 60% | 0.604 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 134.3 | -175.7 | -76.1 | 165.6 | -177 | 151.4 | 0 | 110.4 | Q1021 E1022 E1026 | Q1021-K1024 HydrophobicContact CG-CG 4.49Å; E1022-K1024 HydrophobicContact CG-CD 4.28Å; E1022-K1024 HydrophobicContact CG-CG 3.89Å; E1022-K1024 WeakPolarHBondContact OE1-CE 3.5Å; E1022-K1024 IonicContact OE1-NZ 2.66Å; E1022-K1024 PolarHBondContact OE1-NZ 3.07Å; K1024-E1026 VanDerWaalsContact C-N 3.33Å |
| 1025 | G | 80.7 | Confident | 87.3 | Confident | 88 Ų | 88 | 36 Ų | 36 | 91% | 0.907 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.3 | -14.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | P1023 | P1023-G1025 PolarHBondContact O-N 3.33Š|
| 1026 | E | 87.9 | Confident | 87.8 | Confident | 83 Ų | 83 | 37.1 Ų | 37.1 | 39% | 0.388 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -75.2 | 155 | 175.5 | -68 | -73 | -175.4 | 0 | 0 | 112.2 | P1023 K1024 E1030 R1031 K1054 | P1023-E1026 HydrophobicContact CB-CG 3.88Å; P1023-E1026 HydrophobicContact CG-CB 3.96Å; P1023-E1026 HydrophobicContact CG-CG 3.59Å; P1023-E1026 WeakPolarHBondContact O-CB 3.46Å; P1023-E1026 PolarHBondContact O-N 3.42Å; K1024-E1026 VanDerWaalsContact C-N 3.33Å; E1026-E1030 HydrophobicContact CB-CB 4.04Å; E1026-R1031 HydrophobicContact CB-CG 4.2Å; E1026-R1031 PolarHBondContact O-NE 2.68Å; E1026-R1031 VanDerWaalsContact O-NE 3.15Å; E1026-K1054 IonicContact OE1-NZ 2.65Å |
| 1027 | A | 86.8 | Confident | 88 | Confident | 57 Ų | 57 | 32.7 Ų | 32.7 | 47% | 0.471 | 20% | 0.196 | S | C | . | . | trans | -57.9 | 147.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | S1029 E1030 R1031 | A1027-S1029 PolarHBondContact O-N 2.97Å; A1027-E1030 PolarHBondContact O-N 2.74Å; A1027-R1031 PolarHBondContact O-N 2.65Å | ||
| 1028 | T | 85 | Confident | 87.8 | Confident | 55 Ų | 55 | 33.5 Ų | 33.5 | 34% | 0.337 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -29.6 | -179.6 | -51.9 | 0 | 0 | 0 | 0 | 113.3 | I1019 R1031 Y1072 | I1019-T1028 HydrophobicContact CD1-CG2 4.22Å; I1019-T1028 HydrophobicContact CG1-CG2 4.26Å; I1019-T1028 HydrophobicContact CG2-CG2 3.93Å; T1028-R1031 PolarHBondContact O-N 3.45Å; T1028-Y1072 HydrophobicContact CG2-CD2 3.91Å; T1028-Y1072 HydrophobicContact CG2-CE2 3.57Å |
| 1029 | S | 86.9 | Confident | 87.2 | Confident | 24 Ų | 24 | 38.4 Ų | 38.4 | 17% | 0.168 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -38.7 | 175.2 | 44.9 | 0 | 0 | 0 | 0 | 113.8 | R989 V994 A1027 R1031 A1032 | R989-S1029 WeakPolarHBondContact O-CB 3.24Å; R989-S1029 PolarHBondContact O-OG 2.79Å; R989-S1029 VanDerWaalsContact O-OG 3.08Å; V994-S1029 WeakPolarHBondContact CB-O 3.34Å; A1027-S1029 PolarHBondContact O-N 2.97Å; S1029-R1031 VanDerWaalsContact C-N 3.26Å; S1029-R1031 PolarHBondContact O-N 3Å; S1029-A1032 WeakPolarHBondContact O-CB 3.44Å; S1029-A1032 PolarHBondContact O-N 2.82Å |
| 1030 | E | 88.1 | Confident | 86.5 | Confident | 42 Ų | 42 | 38.8 Ų | 38.8 | 20% | 0.196 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -18.8 | 179.3 | -61.4 | -60.6 | 161.6 | 0 | 0 | 112.2 | R989 R998 E1026 A1027 A1032 | R989-E1030 WeakPolarHBondContact CD-OE1 3.46Å; R989-E1030 IonicContact NH1-OE1 2.84Å; R998-E1030 VanDerWaalsContact CZ-O 3.23Å; R998-E1030 PolarHBondContact NH1-O 3.33Å; R998-E1030 PolarHBondContact NH2-O 2.98Å; E1026-E1030 HydrophobicContact CB-CB 4.04Å; A1027-E1030 PolarHBondContact O-N 2.74Å; E1030-A1032 VanDerWaalsContact C-N 3.35Å |
| 1031 | R | 92.3 | Very high | 85.8 | Confident | 24 Ų | 24 | 43.5 Ų | 43.5 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 3.8 | 176.9 | -58.5 | -175 | -68.8 | 111.8 | -15.6 | 113.8 | I1019 L1020 P1023 E1026 A1027 T1028 S1029 D1069 | I1019-R1031 HydrophobicContact CG2-CB 4.43Å; I1019-R1031 VanDerWaalsContact CG2-NH1 3.3Å; L1020-R1031 PolarHBondContact N-O 3.16Å; L1020-R1031 VanDerWaalsContact N-O 3.07Å; L1020-R1031 WeakPolarHBondContact O-CB 3.1Å; L1020-R1031 PolarHBondContact O-NH1 3.38Å; P1023-R1031 HydrophobicContact CG-CG 4.49Å; P1023-R1031 VanDerWaalsContact O-CD 3.3Å; P1023-R1031 WeakPolarHBondContact O-CD 3.19Å; E1026-R1031 HydrophobicContact CB-CG 4.2Å; E1026-R1031 PolarHBondContact O-NE 2.68Å; E1026-R1031 VanDerWaalsContact O-NE 3.15Å; A1027-R1031 PolarHBondContact O-N 2.65Å; T1028-R1031 PolarHBondContact O-N 3.45Å; S1029-R1031 VanDerWaalsContact C-N 3.26Å; S1029-R1031 PolarHBondContact O-N 3Å; R1031-D1069 IonicContact CZ-OD2 3.39Å; R1031-D1069 VanDerWaalsContact CZ-OD2 3.23Å; R1031-D1069 IonicContact NH1-OD2 3.19Å; R1031-D1069 PolarHBondContact NH1-OD2 3.42Å; R1031-D1069 IonicContact NH2-OD2 3.02Å; R1031-D1069 PolarHBondContact NH2-OD2 2.86Å |
| 1032 | A | 92.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 117.4 | -178 | 0 | 0 | 0 | 0 | 0 | 112 | A991 R998 I1017 V1018 I1019 S1029 E1030 | A991-A1032 HydrophobicContact CB-CB 3.76Å; R998-A1032 PolarHBondContact NH1-O 3.2Å; I1017-A1032 HydrophobicContact CD1-CB 4.34Å; V1018-A1032 WeakPolarHBondContact O-CA 3.39Å; I1019-A1032 HydrophobicContact CD1-CB 3.63Å; S1029-A1032 WeakPolarHBondContact O-CB 3.44Å; S1029-A1032 PolarHBondContact O-N 2.82Å; E1030-A1032 VanDerWaalsContact C-N 3.35Å |
| 1033 | V | 91.1 | Very high | 84.8 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.012 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 135.8 | -177.7 | 170.9 | 0 | 0 | 0 | 0 | 110.1 | I1017 V1018 L1020 L1035 I1037 F1038 L1049 W1052 | I1017-V1033 WeakPolarHBondContact CA-O 3.29Å; V1018-V1033 PolarHBondContact N-O 3.46Å; V1018-V1033 PolarHBondContact O-N 2.76Å; L1020-V1033 HydrophobicContact CD1-CB 3.91Å; L1020-V1033 HydrophobicContact CD1-CG1 4.37Å; L1020-V1033 HydrophobicContact CD1-CG2 3.51Å; L1020-V1033 HydrophobicContact CG-CB 4.29Å; L1020-V1033 HydrophobicContact CG-CG2 4.07Å; V1033-L1035 PolarHBondContact O-N 2.88Å; V1033-I1037 HydrophobicContact CG1-CG2 3.61Å; V1033-F1038 HydrophobicContact CG1-CE2 4.23Å; V1033-F1038 HydrophobicContact CG1-CZ 4.4Å; V1033-L1049 HydrophobicContact CG1-CD2 3.9Å; V1033-W1052 HydrophobicContact CG1-CE3 3.76Å; V1033-W1052 HydrophobicContact CG1-CZ3 3.82Å; V1033-W1052 HydrophobicContact CG2-CE3 4.19Å |
| 1034 | P | 90 | Very high | 84.5 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 131.6 | 176.2 | 27.7 | -34.8 | 0 | 0 | 0 | 111.1 | R998 L999 F1002 R1016 A1036 I1037 W1052 | R998-P1034 HydrophobicContact CB-CG 3.99Å; L999-P1034 HydrophobicContact CD1-CB 4.04Å; L999-P1034 HydrophobicContact CD2-CB 3.72Å; L999-P1034 HydrophobicContact CD2-CG 4.22Å; L999-P1034 HydrophobicContact CG-CB 3.53Å; L999-P1034 HydrophobicContact CG-CG 3.96Å; F1002-P1034 HydrophobicContact CE1-CG 4.5Å; R1016-P1034 CarbonylContact O-C 3.34Å; R1016-P1034 WeakPolarHBondContact O-CA 3.04Å; P1034-A1036 PolarHBondContact O-N 3.03Å; P1034-A1036 VanDerWaalsContact O-N 3.11Å; P1034-I1037 VanDerWaalsContact O-CG2 3.26Å; P1034-I1037 WeakPolarHBondContact O-CG2 3.42Å; P1034-I1037 PolarHBondContact O-N 2.83Å; P1034-I1037 VanDerWaalsContact O-N 3.15Å; P1034-W1052 HydrophobicContact CG-CH2 3.85Å; P1034-W1052 HydrophobicContact CG-CZ3 3.84Å |
| 1035 | L | 87.4 | Confident | 84.9 | Confident | 16 Ų | 16 | 51.4 Ų | 51.4 | 8% | 0.084 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -29.2 | -179.3 | -159.5 | 82.1 | 0 | 0 | 0 | 112.4 | F969 R1016 V1018 V1033 I1037 F1038 | F969-L1035 HydrophobicContact CB-CD1 3.99Å; F969-L1035 HydrophobicContact CB-CD2 4.48Å; F969-L1035 HydrophobicContact CD1-CD1 3.46Å; F969-L1035 VanDerWaalsContact CD1-CD1 3.46Å; F969-L1035 HydrophobicContact CD2-CD1 4.34Å; F969-L1035 HydrophobicContact CE1-CD1 3.82Å; F969-L1035 HydrophobicContact CG-CD1 3.72Å; F969-L1035 HydrophobicContact CZ-CD1 4.36Å; R1016-L1035 HydrophobicContact CB-CB 3.95Å; R1016-L1035 HydrophobicContact CB-CD2 4.49Å; R1016-L1035 PolarHBondContact O-N 3.47Å; V1018-L1035 HydrophobicContact CG1-CD1 3.62Å; V1018-L1035 HydrophobicContact CG2-CD1 4.49Å; V1033-L1035 PolarHBondContact O-N 2.88Å; L1035-I1037 PolarHBondContact O-N 2.82Å; L1035-I1037 VanDerWaalsContact O-N 3.11Å; L1035-F1038 HydrophobicContact CD1-CD2 4.4Å; L1035-F1038 PolarHBondContact O-N 2.95Å |
| 1036 | A | 84.2 | Confident | 84.9 | Confident | 23 Ų | 23 | 52.3 Ų | 52.3 | 19% | 0.19 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -53.8 | -29.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L244 L999 F1002 P1034 F1038 K1039 A1040 | L244-A1036 HydrophobicContact CD2-CB 4.26Å; L999-A1036 HydrophobicContact CD2-CB 3.73Å; F1002-A1036 HydrophobicContact CZ-CB 3.97Å; P1034-A1036 PolarHBondContact O-N 3.03Å; P1034-A1036 VanDerWaalsContact O-N 3.11Å; A1036-F1038 PolarHBondContact O-N 2.74Å; A1036-K1039 PolarHBondContact O-N 3.17Å; A1036-K1039 VanDerWaalsContact O-N 3.17Å; A1036-A1040 PolarHBondContact O-N 2.74Å |
| 1037 | I | 86.9 | Confident | 84.7 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.8 | -27.7 | 179.5 | -162 | 57.2 | 0 | 0 | 0 | 112.7 | F1002 V1033 P1034 L1035 K1039 A1040 V1044 R1045 F1048 L1049 W1052 | F1002-I1037 HydrophobicContact CD1-CD1 4.17Å; F1002-I1037 HydrophobicContact CD2-CD1 4.29Å; F1002-I1037 HydrophobicContact CE1-CD1 4.17Å; F1002-I1037 HydrophobicContact CE2-CD1 4.26Å; F1002-I1037 HydrophobicContact CG-CD1 4.23Å; F1002-I1037 HydrophobicContact CZ-CD1 4.22Å; V1033-I1037 HydrophobicContact CG1-CG2 3.61Å; P1034-I1037 VanDerWaalsContact O-CG2 3.26Å; P1034-I1037 WeakPolarHBondContact O-CG2 3.42Å; P1034-I1037 PolarHBondContact O-N 2.83Å; P1034-I1037 VanDerWaalsContact O-N 3.15Å; L1035-I1037 PolarHBondContact O-N 2.82Å; L1035-I1037 VanDerWaalsContact O-N 3.11Å; I1037-K1039 VanDerWaalsContact C-N 3.25Å; I1037-K1039 PolarHBondContact O-N 2.78Å; I1037-A1040 HydrophobicContact CD1-CB 4.17Å; I1037-A1040 WeakPolarHBondContact O-CB 3.17Å; I1037-A1040 PolarHBondContact O-N 3.18Å; I1037-V1044 HydrophobicContact CD1-CG1 4.33Å; I1037-R1045 HydrophobicContact CG1-CG 4.41Å; I1037-R1045 WeakPolarHBondContact O-CB 3.35Å; I1037-R1045 WeakPolarHBondContact O-CD 3.44Å; I1037-R1045 VanDerWaalsContact O-CG 3.23Å; I1037-R1045 WeakPolarHBondContact O-CG 3.34Å; I1037-F1048 HydrophobicContact CD1-CB 3.79Å; I1037-F1048 HydrophobicContact CD1-CD2 4.22Å; I1037-F1048 HydrophobicContact CD1-CG 4.34Å; I1037-F1048 HydrophobicContact CG1-CB 4.3Å; I1037-L1049 HydrophobicContact CG1-CD2 4.49Å; I1037-L1049 HydrophobicContact CG1-CG 4.2Å; I1037-L1049 HydrophobicContact CG2-CD2 3.83Å; I1037-L1049 HydrophobicContact CG2-CG 4.24Å; I1037-W1052 HydrophobicContact CB-CH2 4.28Å; I1037-W1052 HydrophobicContact CB-CZ3 3.79Å; I1037-W1052 HydrophobicContact CD1-CH2 4.18Å; I1037-W1052 HydrophobicContact CD1-CZ3 4.27Å; I1037-W1052 HydrophobicContact CG1-CH2 4.15Å; I1037-W1052 HydrophobicContact CG1-CZ3 3.74Å; I1037-W1052 HydrophobicContact CG2-CZ3 4.02Å |
| 1038 | F | 85.5 | Confident | 84.8 | Confident | 20 Ų | 20 | 52.1 Ų | 52.1 | 9% | 0.088 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -75 | -20.3 | 179.8 | -61.2 | -71.7 | 0 | 0 | 0 | 112.6 | F969 V1018 V1033 L1035 A1036 R1045 L1049 F1062 I1064 | F969-F1038 HydrophobicContact CE1-CD2 4.02Å; F969-F1038 HydrophobicContact CE1-CE2 4.15Å; F969-F1038 HydrophobicContact CE1-CG 4.44Å; F969-F1038 HydrophobicContact CE2-CB 4.1Å; F969-F1038 HydrophobicContact CE2-CD2 4.43Å; F969-F1038 HydrophobicContact CE2-CG 4.23Å; F969-F1038 HydrophobicContact CZ-CB 3.98Å; F969-F1038 HydrophobicContact CZ-CD1 4.06Å; F969-F1038 AromaticContact CZ-CD2 3.6Å; F969-F1038 HydrophobicContact CZ-CD2 3.6Å; F969-F1038 HydrophobicContact CZ-CE2 4.09Å; F969-F1038 AromaticContact CZ-CG 3.59Å; F969-F1038 HydrophobicContact CZ-CG 3.59Å; V1018-F1038 HydrophobicContact CG2-CE2 3.7Å; V1018-F1038 HydrophobicContact CG2-CZ 4.36Å; V1033-F1038 HydrophobicContact CG1-CE2 4.23Å; V1033-F1038 HydrophobicContact CG1-CZ 4.4Å; L1035-F1038 HydrophobicContact CD1-CD2 4.4Å; L1035-F1038 PolarHBondContact O-N 2.95Å; A1036-F1038 PolarHBondContact O-N 2.74Å; F1038-R1045 PolarHBondContact O-NH1 3.31Å; F1038-L1049 HydrophobicContact CD1-CD1 4.21Å; F1038-L1049 HydrophobicContact CE1-CD1 3.69Å; F1038-L1049 HydrophobicContact CE1-CD2 4.22Å; F1038-L1049 HydrophobicContact CZ-CD1 4.44Å; F1038-L1049 HydrophobicContact CZ-CD2 4.16Å; F1038-F1062 HydrophobicContact CE1-CZ 4.08Å; F1038-I1064 HydrophobicContact CD1-CD1 3.57Å; F1038-I1064 HydrophobicContact CE1-CD1 3.25Å; F1038-I1064 HydrophobicContact CE2-CD1 4.37Å; F1038-I1064 HydrophobicContact CG-CD1 4.25Å; F1038-I1064 HydrophobicContact CZ-CD1 3.71Å |
| 1039 | K | 78.6 | Confident | 85 | Confident | 104 Ų | 104 | 49.6 Ų | 49.6 | 45% | 0.452 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -89.8 | -14.3 | 172.2 | -63.8 | -170.4 | 174.5 | -163 | 0 | 113.7 | L244 D401 E403 A1036 I1037 | L244-K1039 HydrophobicContact CD2-CB 4.16Å; D401-K1039 IonicContact OD1-NZ 3.91Å; D401-K1039 PolarHBondContact OD1-NZ 3.01Å; D401-K1039 IonicContact OD2-NZ 3.49Å; D401-K1039 PolarHBondContact OD2-NZ 2.71Å; E403-K1039 HydrophobicContact CG-CD 4.44Å; A1036-K1039 PolarHBondContact O-N 3.17Å; A1036-K1039 VanDerWaalsContact O-N 3.17Å; I1037-K1039 VanDerWaalsContact C-N 3.25Å; I1037-K1039 PolarHBondContact O-N 2.78Å |
| 1040 | A | 80.2 | Confident | 84.8 | Confident | 11 Ų | 11 | 53.9 Ų | 53.9 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -67.2 | 157.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L244 F1002 A1036 I1037 V1044 | L244-A1040 HydrophobicContact CD1-CB 4.12Å; F1002-A1040 HydrophobicContact CE2-CB 4.19Å; A1036-A1040 PolarHBondContact O-N 2.74Å; I1037-A1040 HydrophobicContact CD1-CB 4.17Å; I1037-A1040 WeakPolarHBondContact O-CB 3.17Å; I1037-A1040 PolarHBondContact O-N 3.18Å; A1040-V1044 HydrophobicContact CB-CB 4.09Å; A1040-V1044 HydrophobicContact CB-CG1 3.89Å |
| 1041 | D | 76.8 | Confident | 84.8 | Confident | 100 Ų | 100 | 56.9 Ų | 56.9 | 54% | 0.535 | 25% | 0.25 | S | S | . | . | trans | -49 | 144.4 | 174.5 | -176.2 | -82.1 | 0 | 0 | 0 | 111.2 | F1043 V1044 R1045 | D1041-F1043 PolarHBondContact O-N 3.32Å; D1041-F1043 WeakPolarHBondContact OD1-CB 3.38Å; D1041-F1043 WeakPolarHBondContact OD1-CD2 3.41Å; D1041-F1043 PolarHBondContact OD1-N 3.04Å; D1041-V1044 HydrophobicContact CB-CG2 4.28Å; D1041-V1044 PolarHBondContact O-N 2.85Å; D1041-R1045 WeakPolarHBondContact O-CB 3.2Å; D1041-R1045 PolarHBondContact O-N 3.4Å | ||
| 1042 | R | 75.9 | Confident | 84.7 | Confident | 139 Ų | 139 | 56.2 Ų | 56.2 | 53% | 0.525 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -50.8 | -36.1 | -175.4 | -171.2 | 176.6 | 177.8 | -161.2 | -3 | 111.9 | R1046 D1061 | R1042-R1046 WeakPolarHBondContact O-CB 3.32Å; R1042-R1046 PolarHBondContact O-N 3.04Å; R1042-D1061 IonicContact CZ-OD1 2.67Å; R1042-D1061 IonicContact NE-OD1 2.76Å; R1042-D1061 PolarHBondContact NE-OD1 3.19Å; R1042-D1061 IonicContact NH2-OD1 3.79Å; R1042-D1061 PolarHBondContact NH2-OD1 3.25Å; R1042-D1061 IonicContact NH2-OD2 2.86Å; R1042-D1061 PolarHBondContact NH2-OD2 3.1Å |
| 1043 | F | 78.4 | Confident | 84.5 | Confident | 166 Ų | 166 | 56.4 Ų | 56.4 | 73% | 0.728 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -70 | -47.1 | 177 | -70.4 | -78.7 | 0 | 0 | 0 | 112.8 | D1041 R1046 H1047 | D1041-F1043 PolarHBondContact O-N 3.32Å; D1041-F1043 WeakPolarHBondContact OD1-CB 3.38Å; D1041-F1043 WeakPolarHBondContact OD1-CD2 3.41Å; D1041-F1043 PolarHBondContact OD1-N 3.04Å; F1043-R1046 PolarHBondContact O-N 3.38Å; F1043-H1047 WeakPolarHBondContact O-CB 3.29Å; F1043-H1047 PolarHBondContact O-N 3.02Å |
| 1044 | V | 82.5 | Confident | 84.3 | Confident | 55 Ų | 55 | 59.2 Ų | 59.2 | 33% | 0.333 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.9 | -47.7 | 177.7 | 177.4 | 0 | 0 | 0 | 0 | 110.3 | F1002 I1037 A1040 D1041 R1046 H1047 F1048 | F1002-V1044 HydrophobicContact CD2-CG1 3.95Å; I1037-V1044 HydrophobicContact CD1-CG1 4.33Å; A1040-V1044 HydrophobicContact CB-CB 4.09Å; A1040-V1044 HydrophobicContact CB-CG1 3.89Å; D1041-V1044 HydrophobicContact CB-CG2 4.28Å; D1041-V1044 PolarHBondContact O-N 2.85Å; V1044-R1046 PolarHBondContact O-N 2.82Å; V1044-H1047 WeakPolarHBondContact O-CB 2.9Å; V1044-H1047 PolarHBondContact O-N 2.63Å; V1044-F1048 HydrophobicContact CG1-CD2 3.81Å; V1044-F1048 HydrophobicContact CG1-CE2 3.95Å; V1044-F1048 WeakPolarHBondContact O-CD2 3.28Å; V1044-F1048 PolarHBondContact O-N 2.91Å; V1044-F1048 VanDerWaalsContact O-N 3.07Å |
| 1045 | R | 85.2 | Confident | 83.7 | Confident | 70 Ų | 70 | 62.7 Ų | 62.7 | 26% | 0.264 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -56.8 | -50.2 | 177.3 | -179.3 | 171.4 | 74.8 | -166.5 | 6.4 | 111.7 | I1037 F1038 D1041 H1047 L1049 | I1037-R1045 HydrophobicContact CG1-CG 4.41Å; I1037-R1045 WeakPolarHBondContact O-CB 3.35Å; I1037-R1045 WeakPolarHBondContact O-CD 3.44Å; I1037-R1045 VanDerWaalsContact O-CG 3.23Å; I1037-R1045 WeakPolarHBondContact O-CG 3.34Å; F1038-R1045 PolarHBondContact O-NH1 3.31Å; D1041-R1045 WeakPolarHBondContact O-CB 3.2Å; D1041-R1045 PolarHBondContact O-N 3.4Å; R1045-H1047 VanDerWaalsContact C-N 3.31Å; R1045-H1047 PolarHBondContact O-N 2.71Å; R1045-L1049 HydrophobicContact CG-CD1 3.62Å; R1045-L1049 HydrophobicContact CG-CG 4.29Å; R1045-L1049 VanDerWaalsContact O-CB 3.25Å; R1045-L1049 WeakPolarHBondContact O-CB 3.49Å; R1045-L1049 WeakPolarHBondContact O-CG 3.29Å; R1045-L1049 PolarHBondContact O-N 3.41Å |
| 1046 | R | 81.1 | Confident | 83.2 | Confident | 107 Ų | 107 | 64 Ų | 64 | 40% | 0.404 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.4 | -43.5 | 177.9 | -177.1 | 178.5 | 179.9 | 178.5 | 0 | 111.1 | R1042 F1043 V1044 R1050 F1058 S1059 | R1042-R1046 WeakPolarHBondContact O-CB 3.32Å; R1042-R1046 PolarHBondContact O-N 3.04Å; F1043-R1046 PolarHBondContact O-N 3.38Å; V1044-R1046 PolarHBondContact O-N 2.82Å; R1046-R1050 WeakPolarHBondContact O-CB 3.16Å; R1046-R1050 PolarHBondContact O-N 2.74Å; R1046-R1050 VanDerWaalsContact O-N 3.1Å; R1046-F1058 PolarHBondContact NE-O 3.44Å; R1046-S1059 WeakPolarHBondContact CD-O 3.48Å; R1046-S1059 PolarHBondContact NE-O 2.92Å; R1046-S1059 VanDerWaalsContact NE-O 3.09Å; R1046-S1059 PolarHBondContact NH1-O 3.44Å; R1046-S1059 PolarHBondContact NH2-O 2.98Å |
| 1047 | H | 83.9 | Confident | 82.7 | Confident | 110 Ų | 110 | 67.8 Ų | 67.8 | 51% | 0.509 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.5 | -56.5 | -179 | -179.7 | 84 | 0 | 0 | 0 | 112.5 | F1043 V1044 R1045 R1051 | F1043-H1047 WeakPolarHBondContact O-CB 3.29Å; F1043-H1047 PolarHBondContact O-N 3.02Å; V1044-H1047 WeakPolarHBondContact O-CB 2.9Å; V1044-H1047 PolarHBondContact O-N 2.63Å; R1045-H1047 VanDerWaalsContact C-N 3.31Å; R1045-H1047 PolarHBondContact O-N 2.71Å; H1047-R1051 PolarHBondContact O-N 3.44Å |
| 1048 | F | 89.9 | Confident | 82 | Confident | 26 Ų | 26 | 68 Ų | 68 | 11% | 0.114 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -75.1 | -35.2 | -174.9 | -71.8 | -79.9 | 0 | 0 | 0 | 113 | E1001 F1002 I1037 V1044 R1051 W1052 | E1001-F1048 HydrophobicContact CB-CE1 4.12Å; F1002-F1048 HydrophobicContact CB-CD1 3.95Å; F1002-F1048 HydrophobicContact CB-CD2 3.4Å; F1002-F1048 VanDerWaalsContact CB-CD2 3.4Å; F1002-F1048 HydrophobicContact CB-CE1 3.67Å; F1002-F1048 HydrophobicContact CB-CE2 3.13Å; F1002-F1048 HydrophobicContact CB-CG 3.83Å; F1002-F1048 HydrophobicContact CB-CZ 3.26Å; F1002-F1048 HydrophobicContact CG-CD2 4.24Å; F1002-F1048 HydrophobicContact CG-CE2 4.31Å; I1037-F1048 HydrophobicContact CD1-CB 3.79Å; I1037-F1048 HydrophobicContact CD1-CD2 4.22Å; I1037-F1048 HydrophobicContact CD1-CG 4.34Å; I1037-F1048 HydrophobicContact CG1-CB 4.3Å; V1044-F1048 HydrophobicContact CG1-CD2 3.81Å; V1044-F1048 HydrophobicContact CG1-CE2 3.95Å; V1044-F1048 WeakPolarHBondContact O-CD2 3.28Å; V1044-F1048 PolarHBondContact O-N 2.91Å; V1044-F1048 VanDerWaalsContact O-N 3.07Å; F1048-R1051 WeakPolarHBondContact O-CB 3.34Å; F1048-R1051 PolarHBondContact O-N 3.39Å; F1048-W1052 HydrophobicContact CB-CD2 4.24Å; F1048-W1052 HydrophobicContact CB-CE3 4.35Å; F1048-W1052 HydrophobicContact CB-CH2 3.87Å; F1048-W1052 HydrophobicContact CB-CZ2 3.72Å; F1048-W1052 HydrophobicContact CB-CZ3 4.19Å; F1048-W1052 AromaticContact CD1-CZ2 3.81Å; F1048-W1052 HydrophobicContact CD1-CZ2 3.81Å; F1048-W1052 HydrophobicContact CG-CH2 4.42Å; F1048-W1052 HydrophobicContact CG-CZ2 4.03Å; F1048-W1052 WeakPolarHBondContact O-CB 3.08Å; F1048-W1052 PolarHBondContact O-N 3.43Å |
| 1049 | L | 87.6 | Confident | 81.3 | Confident | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 174 | -73.5 | 179 | 0 | 0 | 0 | 111.6 | L1020 V1033 I1037 F1038 R1045 R1051 W1052 L1053 F1058 F1062 | L1020-L1049 HydrophobicContact CD1-CD2 4.49Å; V1033-L1049 HydrophobicContact CG1-CD2 3.9Å; I1037-L1049 HydrophobicContact CG1-CD2 4.49Å; I1037-L1049 HydrophobicContact CG1-CG 4.2Å; I1037-L1049 HydrophobicContact CG2-CD2 3.83Å; I1037-L1049 HydrophobicContact CG2-CG 4.24Å; F1038-L1049 HydrophobicContact CD1-CD1 4.21Å; F1038-L1049 HydrophobicContact CE1-CD1 3.69Å; F1038-L1049 HydrophobicContact CE1-CD2 4.22Å; F1038-L1049 HydrophobicContact CZ-CD1 4.44Å; F1038-L1049 HydrophobicContact CZ-CD2 4.16Å; R1045-L1049 HydrophobicContact CG-CD1 3.62Å; R1045-L1049 HydrophobicContact CG-CG 4.29Å; R1045-L1049 VanDerWaalsContact O-CB 3.25Å; R1045-L1049 WeakPolarHBondContact O-CB 3.49Å; R1045-L1049 WeakPolarHBondContact O-CG 3.29Å; R1045-L1049 PolarHBondContact O-N 3.41Å; L1049-R1051 PolarHBondContact O-N 2.93Å; L1049-W1052 HydrophobicContact CD2-CE3 4.37Å; L1049-W1052 PolarHBondContact O-N 2.96Å; L1049-L1053 HydrophobicContact CB-CD1 4.16Å; L1049-L1053 WeakPolarHBondContact O-CB 3.49Å; L1049-L1053 VanDerWaalsContact O-CG 3.26Å; L1049-L1053 WeakPolarHBondContact O-CG 3.49Å; L1049-L1053 PolarHBondContact O-N 3.39Å; L1049-F1058 HydrophobicContact CB-CD1 4.42Å; L1049-F1058 HydrophobicContact CB-CE1 3.7Å; L1049-F1058 HydrophobicContact CB-CZ 4.04Å; L1049-F1058 HydrophobicContact CD1-CE1 4.03Å; L1049-F1058 HydrophobicContact CD1-CZ 3.98Å; L1049-F1062 HydrophobicContact CD1-CE1 4.07Å; L1049-F1062 HydrophobicContact CD1-CZ 3.75Å |
| 1050 | R | 84.3 | Confident | 80.7 | Confident | 115 Ų | 115 | 65 Ų | 65 | 43% | 0.434 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -55.1 | -42.6 | 174.3 | -170.5 | -171.3 | 176.2 | 160.5 | 2.9 | 111.2 | R1046 K1054 R1055 P1056 F1058 | R1046-R1050 WeakPolarHBondContact O-CB 3.16Å; R1046-R1050 PolarHBondContact O-N 2.74Å; R1046-R1050 VanDerWaalsContact O-N 3.1Å; R1050-K1054 PolarHBondContact O-N 3.23Å; R1050-R1055 WeakPolarHBondContact CG-O 3.22Å; R1050-R1055 PolarHBondContact O-N 3.5Å; R1050-P1056 PolarHBondContact NE-O 3.17Å; R1050-P1056 VanDerWaalsContact NE-O 3.11Å; R1050-P1056 PolarHBondContact NH2-O 2.8Å; R1050-F1058 HydrophobicContact CB-CB 4.41Å; R1050-F1058 HydrophobicContact CG-CB 4.32Å |
| 1051 | R | 87.3 | Confident | 80.1 | Confident | 104 Ų | 104 | 69.5 Ų | 69.5 | 39% | 0.392 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.5 | -51.3 | 176.7 | -174.4 | 178 | 177.8 | 162.9 | 0.9 | 112.2 | H1047 F1048 L1049 K1054 D1813 | H1047-R1051 PolarHBondContact O-N 3.44Å; F1048-R1051 WeakPolarHBondContact O-CB 3.34Å; F1048-R1051 PolarHBondContact O-N 3.39Å; L1049-R1051 PolarHBondContact O-N 2.93Å; R1051-K1054 PolarHBondContact O-N 3.3Å; R1051-D1813 IonicContact NH1-OD2 3.72Å |
| 1052 | W | 91 | Very high | 79.9 | Confident | 10 Ų | 10 | 66.7 Ų | 66.7 | 4% | 0.038 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -74.9 | -37.6 | -173.5 | -59.7 | -23.7 | 0 | 0 | 0 | 114 | R998 E1001 F1002 P1023 V1033 P1034 I1037 F1048 L1049 K1054 | R998-W1052 HydrophobicContact CB-CD2 4.29Å; R998-W1052 HydrophobicContact CB-CH2 3.83Å; R998-W1052 HydrophobicContact CB-CZ2 3.49Å; R998-W1052 VanDerWaalsContact CB-CZ2 3.49Å; R998-W1052 HydrophobicContact CB-CZ3 4.35Å; R998-W1052 HydrophobicContact CG-CD2 3.95Å; R998-W1052 HydrophobicContact CG-CG 4.27Å; R998-W1052 HydrophobicContact CG-CZ2 3.92Å; R998-W1052 WeakPolarHBondContact O-CZ2 3.32Å; E1001-W1052 PolarHBondContact OE2-NE1 3.03Å; F1002-W1052 AromaticContact CD1-CH2 3.81Å; F1002-W1052 HydrophobicContact CD1-CH2 3.81Å; F1002-W1052 HydrophobicContact CD1-CZ2 4.28Å; F1002-W1052 HydrophobicContact CE1-CH2 4.15Å; P1023-W1052 WeakPolarHBondContact CD-O 3.29Å; V1033-W1052 HydrophobicContact CG1-CE3 3.76Å; V1033-W1052 HydrophobicContact CG1-CZ3 3.82Å; V1033-W1052 HydrophobicContact CG2-CE3 4.19Å; P1034-W1052 HydrophobicContact CG-CH2 3.85Å; P1034-W1052 HydrophobicContact CG-CZ3 3.84Å; I1037-W1052 HydrophobicContact CB-CH2 4.28Å; I1037-W1052 HydrophobicContact CB-CZ3 3.79Å; I1037-W1052 HydrophobicContact CD1-CH2 4.18Å; I1037-W1052 HydrophobicContact CD1-CZ3 4.27Å; I1037-W1052 HydrophobicContact CG1-CH2 4.15Å; I1037-W1052 HydrophobicContact CG1-CZ3 3.74Å; I1037-W1052 HydrophobicContact CG2-CZ3 4.02Å; F1048-W1052 HydrophobicContact CB-CD2 4.24Å; F1048-W1052 HydrophobicContact CB-CE3 4.35Å; F1048-W1052 HydrophobicContact CB-CH2 3.87Å; F1048-W1052 HydrophobicContact CB-CZ2 3.72Å; F1048-W1052 HydrophobicContact CB-CZ3 4.19Å; F1048-W1052 AromaticContact CD1-CZ2 3.81Å; F1048-W1052 HydrophobicContact CD1-CZ2 3.81Å; F1048-W1052 HydrophobicContact CG-CH2 4.42Å; F1048-W1052 HydrophobicContact CG-CZ2 4.03Å; F1048-W1052 WeakPolarHBondContact O-CB 3.08Å; F1048-W1052 PolarHBondContact O-N 3.43Å; L1049-W1052 HydrophobicContact CD2-CE3 4.37Å; L1049-W1052 PolarHBondContact O-N 2.96Å; W1052-K1054 PolarHBondContact O-N 3.28Å |
| 1053 | L | 86.8 | Confident | 79.9 | Confident | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -15.2 | 173.6 | -67.8 | 173.1 | 0 | 0 | 0 | 112.2 | L1020 E1022 L1049 R1055 F1058 | L1020-L1053 HydrophobicContact CB-CD2 4.04Å; L1020-L1053 HydrophobicContact CD1-CD2 3.48Å; L1020-L1053 VanDerWaalsContact CD1-CD2 3.48Å; L1020-L1053 HydrophobicContact CD1-CG 4.34Å; L1020-L1053 HydrophobicContact CG-CD2 4.39Å; E1022-L1053 HydrophobicContact CB-CD2 3.98Å; L1049-L1053 HydrophobicContact CB-CD1 4.16Å; L1049-L1053 WeakPolarHBondContact O-CB 3.49Å; L1049-L1053 VanDerWaalsContact O-CG 3.26Å; L1049-L1053 WeakPolarHBondContact O-CG 3.49Å; L1049-L1053 PolarHBondContact O-N 3.39Å; L1053-R1055 HydrophobicContact CB-CB 4.28Å; L1053-R1055 PolarHBondContact O-N 2.69Å; L1053-F1058 HydrophobicContact CD1-CD2 4.14Å; L1053-F1058 HydrophobicContact CD1-CE2 3.64Å; L1053-F1058 HydrophobicContact CD1-CZ 3.85Å |
| 1054 | K | 86.3 | Confident | 80.1 | Confident | 61 Ų | 61 | 58.2 Ų | 58.2 | 27% | 0.265 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 30.7 | -174.8 | -69.6 | 170.3 | 165.3 | -154.4 | 0 | 112.2 | P1023 E1026 R1050 R1051 W1052 Q1808 | P1023-K1054 HydrophobicContact CB-CB 4.38Å; P1023-K1054 HydrophobicContact CB-CD 3.75Å; P1023-K1054 HydrophobicContact CB-CG 4.46Å; P1023-K1054 HydrophobicContact CG-CD 3.95Å; E1026-K1054 IonicContact OE1-NZ 2.65Å; R1050-K1054 PolarHBondContact O-N 3.23Å; R1051-K1054 PolarHBondContact O-N 3.3Å; W1052-K1054 PolarHBondContact O-N 3.28Å; K1054-Q1808 HydrophobicContact CB-CG 4.13Å; K1054-Q1808 HydrophobicContact CD-CG 4.31Å; K1054-Q1808 HydrophobicContact CG-CG 3.89Å |
| 1055 | R | 79.1 | Confident | 80.4 | Confident | 75 Ų | 75 | 57.1 Ų | 57.1 | 28% | 0.283 | 26% | 0.261 | S | S | . | . | trans | -110.5 | 102.3 | 178.5 | -87.8 | -166.5 | 67.7 | 175.4 | 7.7 | 111.1 | E1022 R1050 L1053 D1057 F1058 | E1022-R1055 WeakPolarHBondContact OE2-CD 3.39Å; E1022-R1055 IonicContact OE2-NH1 3.74Å; R1050-R1055 WeakPolarHBondContact CG-O 3.22Å; R1050-R1055 PolarHBondContact O-N 3.5Å; L1053-R1055 HydrophobicContact CB-CB 4.28Å; L1053-R1055 PolarHBondContact O-N 2.69Å; R1055-D1057 IonicContact CZ-OD1 3.21Å; R1055-D1057 IonicContact CZ-OD2 3.46Å; R1055-D1057 IonicContact NE-OD1 2.68Å; R1055-D1057 PolarHBondContact NE-OD1 2.89Å; R1055-D1057 IonicContact NE-OD2 3.27Å; R1055-D1057 IonicContact NH2-OD1 2.72Å; R1055-D1057 IonicContact NH2-OD2 3.6Å; R1055-D1057 PolarHBondContact NH2-OD2 3.47Å; R1055-F1058 HydrophobicContact CB-CB 4.32Å; R1055-F1058 VanDerWaalsContact O-CB 3.29Å; R1055-F1058 WeakPolarHBondContact O-CB 3.27Å | ||
| 1056 | P | 75.2 | Confident | 80.4 | Confident | 43 Ų | 43 | 60 Ų | 60 | 28% | 0.279 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -15.4 | -179 | 29.7 | -31.9 | 0 | 0 | 0 | 114.4 | R1050 F1058 T1806 | R1050-P1056 PolarHBondContact NE-O 3.17Å; R1050-P1056 VanDerWaalsContact NE-O 3.11Å; R1050-P1056 PolarHBondContact NH2-O 2.8Å; P1056-F1058 PolarHBondContact O-N 3.47Å; P1056-T1806 HydrophobicContact CB-CG2 4.32Å; P1056-T1806 VanDerWaalsContact CG-CB 3.43Å; P1056-T1806 HydrophobicContact CG-CG2 3.11Å |
| 1057 | D | 73.6 | Confident | 80.6 | Confident | 102 Ų | 102 | 55 Ų | 55 | 55% | 0.545 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -1.8 | 173.2 | 66.8 | -39.7 | 0 | 0 | 0 | 113 | R1055 S1059 | R1055-D1057 IonicContact CZ-OD1 3.21Å; R1055-D1057 IonicContact CZ-OD2 3.46Å; R1055-D1057 IonicContact NE-OD1 2.68Å; R1055-D1057 PolarHBondContact NE-OD1 2.89Å; R1055-D1057 IonicContact NE-OD2 3.27Å; R1055-D1057 IonicContact NH2-OD1 2.72Å; R1055-D1057 IonicContact NH2-OD2 3.6Å; R1055-D1057 PolarHBondContact NH2-OD2 3.47Å; D1057-S1059 PolarHBondContact O-N 3.37Å |
| 1058 | F | 72.8 | Confident | 81 | Confident | 5 Ų | 5 | 49.8 Ų | 49.8 | 2% | 0.022 | 24% | 0.235 | C | C | . | . | trans | -62.5 | 103.5 | -176.5 | -162.7 | -107.6 | 0 | 0 | 0 | 111.7 | R1046 L1049 R1050 L1053 R1055 P1056 G1060 F1062 V1067 | R1046-F1058 PolarHBondContact NE-O 3.44Å; L1049-F1058 HydrophobicContact CB-CD1 4.42Å; L1049-F1058 HydrophobicContact CB-CE1 3.7Å; L1049-F1058 HydrophobicContact CB-CZ 4.04Å; L1049-F1058 HydrophobicContact CD1-CE1 4.03Å; L1049-F1058 HydrophobicContact CD1-CZ 3.98Å; R1050-F1058 HydrophobicContact CB-CB 4.41Å; R1050-F1058 HydrophobicContact CG-CB 4.32Å; L1053-F1058 HydrophobicContact CD1-CD2 4.14Å; L1053-F1058 HydrophobicContact CD1-CE2 3.64Å; L1053-F1058 HydrophobicContact CD1-CZ 3.85Å; R1055-F1058 HydrophobicContact CB-CB 4.32Å; R1055-F1058 VanDerWaalsContact O-CB 3.29Å; R1055-F1058 WeakPolarHBondContact O-CB 3.27Å; P1056-F1058 PolarHBondContact O-N 3.47Å; F1058-G1060 PolarHBondContact O-N 3.02Å; F1058-F1062 HydrophobicContact CD2-CD1 4.49Å; F1058-F1062 AromaticContact CE1-CD1 3.7Å; F1058-F1062 HydrophobicContact CE1-CD1 3.7Å; F1058-F1062 AromaticContact CE1-CE1 3.58Å; F1058-F1062 HydrophobicContact CE1-CE1 3.58Å; F1058-F1062 HydrophobicContact CE1-CZ 4.36Å; F1058-F1062 HydrophobicContact CE2-CB 4.14Å; F1058-F1062 AromaticContact CE2-CD1 3.49Å; F1058-F1062 HydrophobicContact CE2-CD1 3.49Å; F1058-F1062 VanDerWaalsContact CE2-CD1 3.49Å; F1058-F1062 HydrophobicContact CE2-CD2 4.02Å; F1058-F1062 AromaticContact CE2-CE1 3.91Å; F1058-F1062 HydrophobicContact CE2-CE1 3.91Å; F1058-F1062 HydrophobicContact CE2-CE2 4.36Å; F1058-F1062 AromaticContact CE2-CG 3.58Å; F1058-F1062 HydrophobicContact CE2-CG 3.58Å; F1058-F1062 HydrophobicContact CE2-CZ 4.32Å; F1058-F1062 AromaticContact CZ-CD1 3.05Å; F1058-F1062 HydrophobicContact CZ-CD1 3.05Å; F1058-F1062 HydrophobicContact CZ-CD2 4.04Å; F1058-F1062 AromaticContact CZ-CE1 3.03Å; F1058-F1062 HydrophobicContact CZ-CE1 3.03Å; F1058-F1062 AromaticContact CZ-CE2 3.99Å; F1058-F1062 HydrophobicContact CZ-CE2 3.99Å; F1058-F1062 AromaticContact CZ-CG 3.61Å; F1058-F1062 HydrophobicContact CZ-CG 3.61Å; F1058-F1062 AromaticContact CZ-CZ 3.52Å; F1058-F1062 HydrophobicContact CZ-CZ 3.52Å; F1058-V1067 HydrophobicContact CE2-CG1 4.43Å | ||
| 1059 | S | 70.9 | Confident | 81.2 | Confident | 57 Ų | 57 | 49.3 Ų | 49.3 | 40% | 0.399 | 23% | 0.233 | S | C | . | . | trans | -62.4 | -19.9 | 178.3 | 60.2 | 0 | 0 | 0 | 0 | 112.6 | R1046 D1057 D1061 | R1046-S1059 WeakPolarHBondContact CD-O 3.48Å; R1046-S1059 PolarHBondContact NE-O 2.92Å; R1046-S1059 VanDerWaalsContact NE-O 3.09Å; R1046-S1059 PolarHBondContact NH1-O 3.44Å; R1046-S1059 PolarHBondContact NH2-O 2.98Å; D1057-S1059 PolarHBondContact O-N 3.37Å; S1059-D1061 PolarHBondContact O-N 3.34Å; S1059-D1061 PolarHBondContact OG-N 2.76Å; S1059-D1061 PolarHBondContact OG-O 2.94Å | ||
| 1060 | G | 66.8 | Low | 81.5 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | S | Bend | trans | 80.5 | -14.6 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F1058 | F1058-G1060 PolarHBondContact O-N 3.02Š|
| 1061 | D | 67.5 | Low | 81.9 | Confident | 105 Ų | 105 | 48 Ų | 48 | 56% | 0.561 | 24% | 0.243 | S | C | * | . | trans | -100.7 | 87.2 | 172.5 | -67.1 | -19.3 | 0 | 0 | 0 | 108.1 | R1042 S1059 | R1042-D1061 IonicContact CZ-OD1 2.67Å; R1042-D1061 IonicContact NE-OD1 2.76Å; R1042-D1061 PolarHBondContact NE-OD1 3.19Å; R1042-D1061 IonicContact NH2-OD1 3.79Å; R1042-D1061 PolarHBondContact NH2-OD1 3.25Å; R1042-D1061 IonicContact NH2-OD2 2.86Å; R1042-D1061 PolarHBondContact NH2-OD2 3.1Å; S1059-D1061 PolarHBondContact O-N 3.34Å; S1059-D1061 PolarHBondContact OG-N 2.76Å; S1059-D1061 PolarHBondContact OG-O 2.94Å | ||
| 1062 | F | 71.5 | Confident | 82.2 | Confident | 41 Ų | 41 | 45 Ų | 45 | 18% | 0.18 | 23% | 0.232 | C | C | . | . | trans | -134 | 149.3 | 176.9 | 68.1 | -72.1 | 0 | 0 | 0 | 107.5 | F1038 L1049 F1058 I1064 V1067 | F1038-F1062 HydrophobicContact CE1-CZ 4.08Å; L1049-F1062 HydrophobicContact CD1-CE1 4.07Å; L1049-F1062 HydrophobicContact CD1-CZ 3.75Å; F1058-F1062 HydrophobicContact CD2-CD1 4.49Å; F1058-F1062 AromaticContact CE1-CD1 3.7Å; F1058-F1062 HydrophobicContact CE1-CD1 3.7Å; F1058-F1062 AromaticContact CE1-CE1 3.58Å; F1058-F1062 HydrophobicContact CE1-CE1 3.58Å; F1058-F1062 HydrophobicContact CE1-CZ 4.36Å; F1058-F1062 HydrophobicContact CE2-CB 4.14Å; F1058-F1062 AromaticContact CE2-CD1 3.49Å; F1058-F1062 HydrophobicContact CE2-CD1 3.49Å; F1058-F1062 VanDerWaalsContact CE2-CD1 3.49Å; F1058-F1062 HydrophobicContact CE2-CD2 4.02Å; F1058-F1062 AromaticContact CE2-CE1 3.91Å; F1058-F1062 HydrophobicContact CE2-CE1 3.91Å; F1058-F1062 HydrophobicContact CE2-CE2 4.36Å; F1058-F1062 AromaticContact CE2-CG 3.58Å; F1058-F1062 HydrophobicContact CE2-CG 3.58Å; F1058-F1062 HydrophobicContact CE2-CZ 4.32Å; F1058-F1062 AromaticContact CZ-CD1 3.05Å; F1058-F1062 HydrophobicContact CZ-CD1 3.05Å; F1058-F1062 HydrophobicContact CZ-CD2 4.04Å; F1058-F1062 AromaticContact CZ-CE1 3.03Å; F1058-F1062 HydrophobicContact CZ-CE1 3.03Å; F1058-F1062 AromaticContact CZ-CE2 3.99Å; F1058-F1062 HydrophobicContact CZ-CE2 3.99Å; F1058-F1062 AromaticContact CZ-CG 3.61Å; F1058-F1062 HydrophobicContact CZ-CG 3.61Å; F1058-F1062 AromaticContact CZ-CZ 3.52Å; F1058-F1062 HydrophobicContact CZ-CZ 3.52Å; F1062-I1064 HydrophobicContact CE2-CD1 4.15Å; F1062-V1067 HydrophobicContact CD2-CG1 3.8Å; F1062-V1067 HydrophobicContact CD2-CG2 3.85Å; F1062-V1067 HydrophobicContact CE2-CG1 4.21Å; F1062-V1067 HydrophobicContact CE2-CG2 3.55Å | ||
| 1063 | E | 75.8 | Confident | 82.4 | Confident | 120 Ų | 120 | 44.7 Ų | 44.7 | 56% | 0.561 | 23% | 0.231 | S | C | * | . | trans | -78.7 | 131.7 | 165.8 | -70.2 | -162.9 | -177.4 | 0 | 0 | 109.4 | R1065 E1066 | E1063-R1065 PolarHBondContact O-N 3.43Å; E1063-E1066 HydrophobicContact CB-CG 4.27Å; E1063-E1066 WeakPolarHBondContact O-CB 3.38Å; E1063-E1066 PolarHBondContact O-N 3.04Å | ||
| 1064 | I | 83.8 | Confident | 82.7 | Confident | 7 Ų | 7 | 45.8 Ų | 45.8 | 4% | 0.036 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -51.1 | -34.6 | 177.8 | -163 | 83.2 | 0 | 0 | 0 | 111.9 | D965 L968 F969 F1038 F1062 E1066 V1067 L1068 | D965-I1064 HydrophobicContact CB-CG2 4.4Å; L968-I1064 HydrophobicContact CD2-CG2 4.25Å; F969-I1064 HydrophobicContact CE1-CD1 3.68Å; F969-I1064 HydrophobicContact CE1-CG1 3.71Å; F969-I1064 HydrophobicContact CE2-CD1 4.3Å; F969-I1064 HydrophobicContact CE2-CG1 4.5Å; F969-I1064 HydrophobicContact CZ-CD1 3.25Å; F969-I1064 HydrophobicContact CZ-CG1 3.59Å; F1038-I1064 HydrophobicContact CD1-CD1 3.57Å; F1038-I1064 HydrophobicContact CE1-CD1 3.25Å; F1038-I1064 HydrophobicContact CE2-CD1 4.37Å; F1038-I1064 HydrophobicContact CG-CD1 4.25Å; F1038-I1064 HydrophobicContact CZ-CD1 3.71Å; F1062-I1064 HydrophobicContact CE2-CD1 4.15Å; I1064-E1066 PolarHBondContact O-N 3.13Å; I1064-V1067 VanDerWaalsContact O-CG2 3.24Å; I1064-V1067 WeakPolarHBondContact O-CG2 3.05Å; I1064-V1067 PolarHBondContact O-N 2.98Å; I1064-L1068 HydrophobicContact CG1-CD1 4.26Å; I1064-L1068 HydrophobicContact CG1-CG 4.37Å; I1064-L1068 WeakPolarHBondContact O-CG 3.34Å; I1064-L1068 PolarHBondContact O-N 3.43Å |
| 1065 | R | 88.2 | Confident | 83.1 | Confident | 32 Ų | 32 | 47.2 Ų | 47.2 | 12% | 0.121 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.1 | -20.9 | -179.2 | -65.5 | 171.7 | -172 | 61 | 20.2 | 113.2 | K959 G960 L963 D965 L968 E1063 W1070 | K959-R1065 VanDerWaalsContact O-CD 3.28Å; K959-R1065 WeakPolarHBondContact O-CD 2.99Å; K959-R1065 WeakPolarHBondContact O-CG 3.15Å; G960-R1065 PolarHBondContact O-NE 3.43Å; L963-R1065 PolarHBondContact O-NH2 2.88Å; D965-R1065 IonicContact OD1-CZ 3.26Å; D965-R1065 VanDerWaalsContact OD1-CZ 3.25Å; D965-R1065 IonicContact OD1-NH1 2.81Å; D965-R1065 PolarHBondContact OD1-NH1 2.96Å; D965-R1065 IonicContact OD1-NH2 2.76Å; D965-R1065 PolarHBondContact OD1-NH2 2.84Å; L968-R1065 HydrophobicContact CD2-CG 4.19Å; E1063-R1065 PolarHBondContact O-N 3.43Å; R1065-W1070 HydrophobicContact CB-CZ2 4.15Å; R1065-W1070 HydrophobicContact CG-CZ2 4.11Å; R1065-W1070 PolarHBondContact O-NE1 3.39Å |
| 1066 | E | 84.6 | Confident | 83.7 | Confident | 131 Ų | 131 | 46.4 Ų | 46.4 | 61% | 0.612 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -81.5 | -26.7 | 178.7 | -63.4 | -174 | 158.4 | 0 | 0 | 113 | E1063 I1064 | E1063-E1066 HydrophobicContact CB-CG 4.27Å; E1063-E1066 WeakPolarHBondContact O-CB 3.38Å; E1063-E1066 PolarHBondContact O-N 3.04Å; I1064-E1066 PolarHBondContact O-N 3.13Å |
| 1067 | V | 86.6 | Confident | 84.7 | Confident | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.018 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -100.7 | -15.8 | -173.8 | -63.6 | 0 | 0 | 0 | 0 | 114.1 | L1020 Q1021 F1058 F1062 I1064 | L1020-V1067 CarbonylContact C-O 3.44Å; L1020-V1067 WeakPolarHBondContact CA-O 3.24Å; L1020-V1067 WeakPolarHBondContact CB-O 3.45Å; L1020-V1067 HydrophobicContact CD2-CG2 4.35Å; Q1021-V1067 PolarHBondContact N-O 3.42Å; F1058-V1067 HydrophobicContact CE2-CG1 4.43Å; F1062-V1067 HydrophobicContact CD2-CG1 3.8Å; F1062-V1067 HydrophobicContact CD2-CG2 3.85Å; F1062-V1067 HydrophobicContact CE2-CG1 4.21Å; F1062-V1067 HydrophobicContact CE2-CG2 3.55Å; I1064-V1067 VanDerWaalsContact O-CG2 3.24Å; I1064-V1067 WeakPolarHBondContact O-CG2 3.05Å; I1064-V1067 PolarHBondContact O-N 2.98Å |
| 1068 | L | 91.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | B | Isolated β-bridge | trans | -68 | 140.4 | 179 | -70.5 | 168.7 | 0 | 0 | 0 | 112.1 | L968 I972 V1018 L1020 I1064 W1070 Y1073 | L968-L1068 HydrophobicContact CD2-CD1 3.79Å; L968-L1068 HydrophobicContact CG-CD1 4.44Å; I972-L1068 HydrophobicContact CD1-CD1 3.45Å; I972-L1068 VanDerWaalsContact CD1-CD1 3.45Å; I972-L1068 HydrophobicContact CD1-CD2 3.51Å; I972-L1068 HydrophobicContact CD1-CG 4.06Å; V1018-L1068 HydrophobicContact CB-CD2 4.39Å; L1020-L1068 HydrophobicContact CD2-CD2 3.82Å; I1064-L1068 HydrophobicContact CG1-CD1 4.26Å; I1064-L1068 HydrophobicContact CG1-CG 4.37Å; I1064-L1068 WeakPolarHBondContact O-CG 3.34Å; I1064-L1068 PolarHBondContact O-N 3.43Å; L1068-W1070 VanDerWaalsContact C-N 3.3Å; L1068-W1070 HydrophobicContact CB-CZ2 4.28Å; L1068-W1070 HydrophobicContact CD1-CH2 4.12Å; L1068-W1070 HydrophobicContact CD1-CZ2 3.76Å; L1068-W1070 VanDerWaalsContact O-CD1 3.29Å; L1068-W1070 PolarHBondContact O-N 3.37Å; L1068-Y1073 HydrophobicContact CD2-CE2 4.44Å |
| 1069 | D | 93.5 | Very high | 86.7 | Confident | 16 Ų | 16 | 41.1 Ų | 41.1 | 9% | 0.086 | 22% | 0.216 | C | C | . | . | trans | -79 | 77.7 | 173.3 | -171 | -6.5 | 0 | 0 | 0 | 111.1 | I1019 Q1021 R1031 A1071 Y1072 Y1073 | I1019-D1069 HydrophobicContact CG2-CB 4.12Å; I1019-D1069 PolarHBondContact O-N 3.47Å; I1019-D1069 VanDerWaalsContact O-N 3.1Å; Q1021-D1069 HydrophobicContact CB-CB 4.32Å; R1031-D1069 IonicContact CZ-OD2 3.39Å; R1031-D1069 VanDerWaalsContact CZ-OD2 3.23Å; R1031-D1069 IonicContact NH1-OD2 3.19Å; R1031-D1069 PolarHBondContact NH1-OD2 3.42Å; R1031-D1069 IonicContact NH2-OD2 3.02Å; R1031-D1069 PolarHBondContact NH2-OD2 2.86Å; D1069-A1071 PolarHBondContact O-N 3.4Å; D1069-A1071 PolarHBondContact OD1-N 2.96Å; D1069-Y1072 WeakPolarHBondContact O-CB 3.49Å; D1069-Y1072 PolarHBondContact O-N 3.28Å; D1069-Y1072 VanDerWaalsContact O-N 3.11Å; D1069-Y1072 PolarHBondContact OD1-N 3.19Å; D1069-Y1072 VanDerWaalsContact OD1-N 3.08Å; D1069-Y1072 VanDerWaalsContact OD2-CB 3.3Å; D1069-Y1072 WeakPolarHBondContact OD2-CB 3.25Å; D1069-Y1073 WeakPolarHBondContact O-CD2 3.45Å; D1069-Y1073 PolarHBondContact O-N 3.18Å | ||
| 1070 | W | 94.2 | Very high | 87.7 | Confident | 20 Ų | 20 | 38.6 Ų | 38.6 | 8% | 0.076 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56 | -34.6 | 179 | -65.1 | 102.5 | 0 | 0 | 0 | 113 | L956 K959 L968 R1065 L1068 Y1072 Y1073 I1074 | L956-W1070 HydrophobicContact CD2-CE3 4.22Å; L956-W1070 HydrophobicContact CD2-CZ3 4.05Å; K959-W1070 HydrophobicContact CB-CD2 4.07Å; K959-W1070 HydrophobicContact CB-CH2 4.1Å; K959-W1070 HydrophobicContact CB-CZ2 3.61Å; K959-W1070 HydrophobicContact CD-CG 4.47Å; K959-W1070 HydrophobicContact CG-CD2 3.93Å; K959-W1070 HydrophobicContact CG-CG 4.04Å; K959-W1070 HydrophobicContact CG-CZ2 4.34Å; K959-W1070 WeakPolarHBondContact O-CH2 3.46Å; K959-W1070 VanDerWaalsContact O-CZ2 3.23Å; K959-W1070 WeakPolarHBondContact O-CZ2 3.47Å; L968-W1070 HydrophobicContact CD1-CH2 3.75Å; L968-W1070 HydrophobicContact CD1-CZ3 4.22Å; L968-W1070 HydrophobicContact CD2-CH2 3.93Å; L968-W1070 HydrophobicContact CD2-CZ2 4.34Å; L968-W1070 HydrophobicContact CG-CH2 4.48Å; R1065-W1070 HydrophobicContact CB-CZ2 4.15Å; R1065-W1070 HydrophobicContact CG-CZ2 4.11Å; R1065-W1070 PolarHBondContact O-NE1 3.39Å; L1068-W1070 VanDerWaalsContact C-N 3.3Å; L1068-W1070 HydrophobicContact CB-CZ2 4.28Å; L1068-W1070 HydrophobicContact CD1-CH2 4.12Å; L1068-W1070 HydrophobicContact CD1-CZ2 3.76Å; L1068-W1070 VanDerWaalsContact O-CD1 3.29Å; L1068-W1070 PolarHBondContact O-N 3.37Å; W1070-Y1072 VanDerWaalsContact C-N 3.35Å; W1070-Y1072 PolarHBondContact O-N 3.03Å; W1070-Y1073 PolarHBondContact O-N 2.99Å; W1070-I1074 WeakPolarHBondContact O-CB 3.29Å; W1070-I1074 WeakPolarHBondContact O-CD1 3.21Å; W1070-I1074 WeakPolarHBondContact O-CG1 3.33Å; W1070-I1074 PolarHBondContact O-N 3.03Å |
| 1071 | A | 92.3 | Very high | 89.1 | Confident | 68 Ų | 68 | 38.4 Ų | 38.4 | 56% | 0.562 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -64.4 | -39.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D1069 I1074 D1075 | D1069-A1071 PolarHBondContact O-N 3.4Å; D1069-A1071 PolarHBondContact OD1-N 2.96Å; A1071-I1074 PolarHBondContact O-N 3.41Å; A1071-D1075 PolarHBondContact O-N 3.38Å |
| 1072 | Y | 94 | Very high | 90.3 | Very high | 42 Ų | 42 | 33.7 Ų | 33.7 | 17% | 0.165 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.4 | -47.8 | 173.3 | 168 | -96.6 | 0 | 0 | 0 | 112.3 | E974 I1019 T1028 D1069 W1070 D1075 R1076 | E974-Y1072 PolarHBondContact OE1-OH 2.98Å; E974-Y1072 VanDerWaalsContact OE1-OH 3.14Å; I1019-Y1072 HydrophobicContact CB-CD1 3.83Å; I1019-Y1072 HydrophobicContact CB-CE1 3.91Å; I1019-Y1072 HydrophobicContact CB-CG 4.4Å; I1019-Y1072 HydrophobicContact CG1-CD1 3.96Å; I1019-Y1072 HydrophobicContact CG1-CE1 3.49Å; I1019-Y1072 VanDerWaalsContact CG1-CE1 3.49Å; I1019-Y1072 HydrophobicContact CG2-CD1 4.07Å; I1019-Y1072 HydrophobicContact CG2-CE1 4.42Å; I1019-Y1072 HydrophobicContact CG2-CG 4.13Å; T1028-Y1072 HydrophobicContact CG2-CD2 3.91Å; T1028-Y1072 HydrophobicContact CG2-CE2 3.57Å; D1069-Y1072 WeakPolarHBondContact O-CB 3.49Å; D1069-Y1072 PolarHBondContact O-N 3.28Å; D1069-Y1072 VanDerWaalsContact O-N 3.11Å; D1069-Y1072 PolarHBondContact OD1-N 3.19Å; D1069-Y1072 VanDerWaalsContact OD1-N 3.08Å; D1069-Y1072 VanDerWaalsContact OD2-CB 3.3Å; D1069-Y1072 WeakPolarHBondContact OD2-CB 3.25Å; W1070-Y1072 VanDerWaalsContact C-N 3.35Å; W1070-Y1072 PolarHBondContact O-N 3.03Å; Y1072-D1075 PolarHBondContact O-N 3.48Å; Y1072-R1076 HydrophobicContact CE1-CG 4.12Å; Y1072-R1076 HydrophobicContact CE2-CG 4.15Å; Y1072-R1076 WeakPolarHBondContact O-CG 3.26Å; Y1072-R1076 PolarHBondContact O-N 3.33Å; Y1072-R1076 PolarHBondContact OH-NH1 3.27Å |
| 1073 | Y | 94.9 | Very high | 91.3 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.3 | -38.1 | -179.7 | -66.6 | -65.8 | 0 | 0 | 0 | 112.2 | L918 I972 V1018 I1019 L1068 D1069 W1070 R1076 L1077 | L918-Y1073 HydrophobicContact CD1-CD1 3.93Å; L918-Y1073 HydrophobicContact CD1-CE1 4.31Å; L918-Y1073 HydrophobicContact CD2-CD1 4.37Å; L918-Y1073 HydrophobicContact CD2-CE1 3.98Å; I972-Y1073 HydrophobicContact CB-CD1 4.05Å; I972-Y1073 HydrophobicContact CB-CE1 3.71Å; I972-Y1073 HydrophobicContact CB-CE2 4.36Å; I972-Y1073 HydrophobicContact CB-CG 4.49Å; I972-Y1073 HydrophobicContact CD1-CE2 4Å; I972-Y1073 HydrophobicContact CG2-CD1 4.33Å; I972-Y1073 HydrophobicContact CG2-CE1 4.48Å; I972-Y1073 HydrophobicContact CG2-CG 4.46Å; I972-Y1073 WeakPolarHBondContact O-CE1 3.06Å; I972-Y1073 PolarHBondContact O-OH 3.07Å; I972-Y1073 VanDerWaalsContact O-OH 3.1Å; V1018-Y1073 WeakPolarHBondContact CA-OH 3.18Å; I1019-Y1073 PolarHBondContact N-OH 3.18Å; L1068-Y1073 HydrophobicContact CD2-CE2 4.44Å; D1069-Y1073 WeakPolarHBondContact O-CD2 3.45Å; D1069-Y1073 PolarHBondContact O-N 3.18Å; W1070-Y1073 PolarHBondContact O-N 2.99Å; Y1073-R1076 PolarHBondContact O-N 3.42Å; Y1073-L1077 PolarHBondContact O-N 3.49Å |
| 1074 | I | 94.9 | Very high | 92.1 | Very high | 27 Ų | 27 | 28.2 Ų | 28.2 | 14% | 0.138 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62 | -44.7 | 173.7 | -70.1 | 165.2 | 0 | 0 | 0 | 110.5 | L956 Y957 W1070 A1071 R1076 L1077 S1078 | L956-I1074 HydrophobicContact CB-CG1 3.78Å; L956-I1074 HydrophobicContact CD1-CG1 4.02Å; Y957-I1074 HydrophobicContact CD1-CD1 4.07Å; Y957-I1074 HydrophobicContact CE1-CD1 4Å; Y957-I1074 HydrophobicContact CE2-CG2 4.25Å; Y957-I1074 HydrophobicContact CG-CD1 4.38Å; W1070-I1074 WeakPolarHBondContact O-CB 3.29Å; W1070-I1074 WeakPolarHBondContact O-CD1 3.21Å; W1070-I1074 WeakPolarHBondContact O-CG1 3.33Å; W1070-I1074 PolarHBondContact O-N 3.03Å; A1071-I1074 PolarHBondContact O-N 3.41Å; I1074-R1076 VanDerWaalsContact C-N 3.35Å; I1074-R1076 PolarHBondContact O-N 3.43Å; I1074-L1077 PolarHBondContact O-N 2.7Å; I1074-S1078 WeakPolarHBondContact O-CB 3.43Å; I1074-S1078 PolarHBondContact O-N 2.83Å; I1074-S1078 PolarHBondContact O-OG 3.32Å |
| 1075 | D | 93 | Very high | 92.6 | Very high | 92 Ų | 92 | 27.9 Ų | 27.9 | 49% | 0.492 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -65.3 | -37.8 | 177.4 | -173.9 | 54.7 | 0 | 0 | 0 | 111.9 | A1071 Y1072 S1078 S1079 | A1071-D1075 PolarHBondContact O-N 3.38Å; Y1072-D1075 PolarHBondContact O-N 3.48Å; D1075-S1078 PolarHBondContact O-N 3.39Å; D1075-S1079 WeakPolarHBondContact O-CB 3.43Å; D1075-S1079 PolarHBondContact O-N 3.38Å |
| 1076 | R | 93.3 | Very high | 92.9 | Very high | 58 Ų | 58 | 26.3 Ų | 26.3 | 22% | 0.219 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.8 | -49.3 | 175.9 | -74.4 | -68.4 | -70.3 | -97 | -4.1 | 112.3 | E917 L918 I921 E974 Y1072 Y1073 I1074 S1079 A1080 | E917-R1076 IonicContact OE1-CZ 2.97Å; E917-R1076 IonicContact OE1-NE 2.84Å; E917-R1076 IonicContact OE1-NH2 3.36Å; E917-R1076 PolarHBondContact OE1-NH2 2.83Å; E917-R1076 IonicContact OE2-NH2 3.64Å; L918-R1076 HydrophobicContact CD1-CB 3.99Å; L918-R1076 HydrophobicContact CD1-CG 4.37Å; I921-R1076 HydrophobicContact CD1-CB 4.29Å; E974-R1076 IonicContact OE1-CZ 2.65Å; E974-R1076 IonicContact OE1-NH1 2.69Å; E974-R1076 PolarHBondContact OE1-NH1 3.48Å; E974-R1076 IonicContact OE1-NH2 2.71Å; E974-R1076 PolarHBondContact OE1-NH2 2.79Å; E974-R1076 IonicContact OE2-NH2 3.7Å; Y1072-R1076 HydrophobicContact CE1-CG 4.12Å; Y1072-R1076 HydrophobicContact CE2-CG 4.15Å; Y1072-R1076 WeakPolarHBondContact O-CG 3.26Å; Y1072-R1076 PolarHBondContact O-N 3.33Å; Y1072-R1076 PolarHBondContact OH-NH1 3.27Å; Y1073-R1076 PolarHBondContact O-N 3.42Å; I1074-R1076 VanDerWaalsContact C-N 3.35Å; I1074-R1076 PolarHBondContact O-N 3.43Å; R1076-S1079 PolarHBondContact O-N 2.89Å; R1076-A1080 PolarHBondContact O-N 3.07Å |
| 1077 | L | 94.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.1 | -44.8 | 175.9 | -179.4 | 61.9 | 0 | 0 | 0 | 111.1 | L920 I921 F924 W952 L953 L956 Y1073 I1074 S1079 A1080 V1081 | L920-L1077 HydrophobicContact CD2-CB 4.4Å; L920-L1077 HydrophobicContact CD2-CD2 4.21Å; I921-L1077 HydrophobicContact CG1-CD1 4.48Å; F924-L1077 HydrophobicContact CB-CD1 4.09Å; F924-L1077 HydrophobicContact CD1-CD1 4.03Å; F924-L1077 HydrophobicContact CG-CD1 3.96Å; W952-L1077 HydrophobicContact CB-CD2 3.86Å; W952-L1077 WeakPolarHBondContact O-CD2 3.13Å; L953-L1077 HydrophobicContact CD2-CD2 4.01Å; L953-L1077 HydrophobicContact CD2-CG 4.37Å; L953-L1077 HydrophobicContact CG-CD2 4.24Å; L956-L1077 HydrophobicContact CD1-CB 3.88Å; L956-L1077 HydrophobicContact CD1-CD2 3.76Å; L956-L1077 HydrophobicContact CD1-CG 4.48Å; L956-L1077 HydrophobicContact CG-CD2 4.43Å; Y1073-L1077 PolarHBondContact O-N 3.49Å; I1074-L1077 PolarHBondContact O-N 2.7Å; L1077-S1079 PolarHBondContact O-N 3.29Å; L1077-A1080 WeakPolarHBondContact O-CA 3.3Å; L1077-A1080 WeakPolarHBondContact O-CB 3.27Å; L1077-A1080 PolarHBondContact O-N 3.26Å; L1077-V1081 HydrophobicContact CD1-CG2 4.33Å; L1077-V1081 HydrophobicContact CG-CG2 4.28Å; L1077-V1081 WeakPolarHBondContact O-CG2 3.45Å; L1077-V1081 PolarHBondContact O-N 3.24Å |
| 1078 | S | 95.4 | Very high | 93.7 | Very high | 14 Ų | 14 | 20 Ų | 20 | 10% | 0.098 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -56.7 | -39.5 | 176.9 | -64.6 | 0 | 0 | 0 | 0 | 111.4 | I1074 D1075 A1080 V1081 L1082 | I1074-S1078 WeakPolarHBondContact O-CB 3.43Å; I1074-S1078 PolarHBondContact O-N 2.83Å; I1074-S1078 PolarHBondContact O-OG 3.32Å; D1075-S1078 PolarHBondContact O-N 3.39Å; S1078-A1080 VanDerWaalsContact C-N 3.33Å; S1078-A1080 PolarHBondContact O-N 2.97Å; S1078-V1081 PolarHBondContact O-N 2.87Å; S1078-L1082 WeakPolarHBondContact O-CB 3.37Å; S1078-L1082 PolarHBondContact O-N 3.41Å |
| 1079 | S | 93.1 | Very high | 93.8 | Very high | 24 Ų | 24 | 20 Ų | 20 | 17% | 0.168 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66 | -33 | 175.1 | -173.4 | 0 | 0 | 0 | 0 | 113 | D1075 R1076 L1077 K1083 | D1075-S1079 WeakPolarHBondContact O-CB 3.43Å; D1075-S1079 PolarHBondContact O-N 3.38Å; R1076-S1079 PolarHBondContact O-N 2.89Å; L1077-S1079 PolarHBondContact O-N 3.29Å; S1079-K1083 WeakPolarHBondContact O-CE 3.45Å; S1079-K1083 WeakPolarHBondContact O-CG 3.33Å; S1079-K1083 PolarHBondContact O-N 3.12Å |
| 1080 | A | 92.4 | Very high | 93.7 | Very high | 3 Ų | 3 | 19.7 Ų | 19.7 | 3% | 0.025 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -71.6 | -46.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | I921 F924 R1076 L1077 S1078 L1082 K1083 L1084 | I921-A1080 HydrophobicContact CG2-CB 4.12Å; F924-A1080 HydrophobicContact CD1-CB 4.43Å; F924-A1080 HydrophobicContact CE1-CB 4.32Å; R1076-A1080 PolarHBondContact O-N 3.07Å; L1077-A1080 WeakPolarHBondContact O-CA 3.3Å; L1077-A1080 WeakPolarHBondContact O-CB 3.27Å; L1077-A1080 PolarHBondContact O-N 3.26Å; S1078-A1080 VanDerWaalsContact C-N 3.33Å; S1078-A1080 PolarHBondContact O-N 2.97Å; A1080-L1082 VanDerWaalsContact C-N 3.29Å; A1080-L1082 PolarHBondContact O-N 3.34Å; A1080-K1083 PolarHBondContact O-N 3.41Å; A1080-L1084 VanDerWaalsContact O-CB 3.3Å; A1080-L1084 WeakPolarHBondContact O-CB 3.39Å; A1080-L1084 PolarHBondContact O-N 3.16Å |
| 1081 | V | 95.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.8 | -43.2 | 174.2 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | F924 A949 L1077 S1078 K1083 L1084 V1085 C1086 V1098 V1101 | F924-V1081 HydrophobicContact CE1-CG2 4.04Å; F924-V1081 HydrophobicContact CE2-CG2 4.14Å; F924-V1081 HydrophobicContact CZ-CB 4.47Å; F924-V1081 HydrophobicContact CZ-CG2 3.7Å; A949-V1081 HydrophobicContact CB-CG1 3.99Å; A949-V1081 HydrophobicContact CB-CG2 4.05Å; L1077-V1081 HydrophobicContact CD1-CG2 4.33Å; L1077-V1081 HydrophobicContact CG-CG2 4.28Å; L1077-V1081 WeakPolarHBondContact O-CG2 3.45Å; L1077-V1081 PolarHBondContact O-N 3.24Å; S1078-V1081 PolarHBondContact O-N 2.87Å; V1081-K1083 PolarHBondContact O-N 3.19Å; V1081-L1084 PolarHBondContact O-N 2.81Å; V1081-V1085 HydrophobicContact CG1-CB 4.35Å; V1081-V1085 WeakPolarHBondContact O-CA 3.39Å; V1081-V1085 VanDerWaalsContact O-CB 3.32Å; V1081-V1085 WeakPolarHBondContact O-CB 3.39Å; V1081-V1085 PolarHBondContact O-N 3.27Å; V1081-C1086 PolarHBondContact O-N 3.47Å; V1081-C1086 VanDerWaalsContact O-N 3.13Å; V1081-V1098 HydrophobicContact CG1-CB 4.32Å; V1081-V1098 HydrophobicContact CG1-CG1 4.38Å; V1081-V1098 HydrophobicContact CG1-CG2 4.14Å; V1081-V1101 HydrophobicContact CB-CG2 4.41Å; V1081-V1101 HydrophobicContact CG1-CG2 4.12Å |
| 1082 | L | 94.2 | Very high | 93.2 | Very high | 7 Ų | 7 | 19.3 Ų | 19.3 | 4% | 0.037 | 10% | 0.096 | C | C | . | . | I | π-helix | trans | -61.8 | -47 | -179.9 | -173.6 | 74.8 | 0 | 0 | 0 | 112.4 | K885 S1078 A1080 C1086 I1087 V1101 L1103 P1104 | K885-L1082 HydrophobicContact CD-CD2 4.48Å; K885-L1082 HydrophobicContact CG-CD2 4.05Å; S1078-L1082 WeakPolarHBondContact O-CB 3.37Å; S1078-L1082 PolarHBondContact O-N 3.41Å; A1080-L1082 VanDerWaalsContact C-N 3.29Å; A1080-L1082 PolarHBondContact O-N 3.34Å; L1082-C1086 HydrophobicContact CD1-CB 3.97Å; L1082-I1087 HydrophobicContact CD1-CD1 4.2Å; L1082-I1087 HydrophobicContact CD1-CG1 3.87Å; L1082-I1087 HydrophobicContact CD2-CD1 4.02Å; L1082-I1087 HydrophobicContact CG-CD1 3.67Å; L1082-I1087 HydrophobicContact CG-CG1 3.8Å; L1082-I1087 WeakPolarHBondContact O-CB 3.17Å; L1082-I1087 WeakPolarHBondContact O-CG1 3.23Å; L1082-I1087 PolarHBondContact O-N 2.96Å; L1082-V1101 HydrophobicContact CB-CG1 4.09Å; L1082-V1101 HydrophobicContact CD1-CG1 4.09Å; L1082-L1103 HydrophobicContact CD1-CD2 4.16Å; L1082-P1104 HydrophobicContact CD1-CG 4.43Å; L1082-P1104 HydrophobicContact CD2-CG 3.69Å; L1082-P1104 HydrophobicContact CG-CG 4.5Å |
| 1083 | K | 92.2 | Very high | 92.9 | Very high | 41 Ų | 41 | 20.2 Ų | 20.2 | 18% | 0.178 | 12% | 0.118 | C | C | . | . | I | π-helix | trans | -70.1 | -33.2 | -179.9 | -71.8 | 178.5 | -67.4 | 173.1 | 0 | 113.3 | S883 E911 S1079 A1080 V1081 P1088 | S883-K1083 PolarHBondContact N-O 3Å; S883-K1083 WeakPolarHBondContact O-CB 3.49Å; S883-K1083 WeakPolarHBondContact O-CG 3.46Å; S883-K1083 PolarHBondContact OG-O 3.21Å; E911-K1083 IonicContact OE1-NZ 3.25Å; E911-K1083 PolarHBondContact OE1-NZ 3.22Å; S1079-K1083 WeakPolarHBondContact O-CE 3.45Å; S1079-K1083 WeakPolarHBondContact O-CG 3.33Å; S1079-K1083 PolarHBondContact O-N 3.12Å; A1080-K1083 PolarHBondContact O-N 3.41Å; V1081-K1083 PolarHBondContact O-N 3.19Å; K1083-P1088 WeakPolarHBondContact O-CG 3.32Å |
| 1084 | L | 91.9 | Very high | 92.7 | Very high | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | I | π-helix | trans | -99.7 | -28 | -170.4 | -172 | 50.9 | 0 | 0 | 0 | 113.4 | V880 P882 F910 F924 Q925 V928 F932 A1080 V1081 | V880-L1084 HydrophobicContact CG1-CD1 4.09Å; P882-L1084 HydrophobicContact CB-CD1 4.28Å; F910-L1084 HydrophobicContact CE1-CD1 3.65Å; F910-L1084 HydrophobicContact CE1-CD2 4.45Å; F910-L1084 HydrophobicContact CZ-CD1 4.2Å; F924-L1084 HydrophobicContact CE1-CD2 4.29Å; Q925-L1084 HydrophobicContact CG-CD2 4Å; V928-L1084 HydrophobicContact CG1-CD2 3.54Å; V928-L1084 HydrophobicContact CG1-CG 4.39Å; F932-L1084 HydrophobicContact CE2-CD1 4Å; F932-L1084 HydrophobicContact CE2-CD2 4.48Å; F932-L1084 HydrophobicContact CE2-CG 4.16Å; F932-L1084 HydrophobicContact CZ-CD1 3.85Å; F932-L1084 HydrophobicContact CZ-CG 3.89Å; A1080-L1084 VanDerWaalsContact O-CB 3.3Å; A1080-L1084 WeakPolarHBondContact O-CB 3.39Å; A1080-L1084 PolarHBondContact O-N 3.16Å; V1081-L1084 PolarHBondContact O-N 2.81Å |
| 1085 | V | 94.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.155 | C | C | . | . | I | π-helix | trans | -122.1 | -65.5 | -172.8 | -174.8 | 0 | 0 | 0 | 0 | 110.7 | F924 V928 Y942 V945 V1081 A1089 P1097 V1098 | F924-V1085 HydrophobicContact CZ-CG2 4.26Å; V928-V1085 HydrophobicContact CG2-CG2 4.41Å; Y942-V1085 HydrophobicContact CD1-CG1 4.15Å; V945-V1085 HydrophobicContact CB-CG2 4.49Å; V945-V1085 HydrophobicContact CG2-CG1 3.83Å; V945-V1085 HydrophobicContact CG2-CG2 4.26Å; V1081-V1085 HydrophobicContact CG1-CB 4.35Å; V1081-V1085 WeakPolarHBondContact O-CA 3.39Å; V1081-V1085 VanDerWaalsContact O-CB 3.32Å; V1081-V1085 WeakPolarHBondContact O-CB 3.39Å; V1081-V1085 PolarHBondContact O-N 3.27Å; V1085-A1089 WeakPolarHBondContact O-CB 3.38Å; V1085-A1089 PolarHBondContact O-N 3.48Å; V1085-P1097 HydrophobicContact CG1-CG 3.88Å; V1085-V1098 HydrophobicContact CG1-CG2 4.42Å |
| 1086 | C | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | I | π-helix | trans | -67.2 | -49.9 | -166.2 | -57.5 | 0 | 0 | 0 | 0 | 114.1 | V1081 L1082 V1090 N1096 L1103 | V1081-C1086 PolarHBondContact O-N 3.47Å; V1081-C1086 VanDerWaalsContact O-N 3.13Å; L1082-C1086 HydrophobicContact CD1-CB 3.97Å; C1086-V1090 WeakPolarHBondContact O-CB 3.4Å; C1086-V1090 WeakPolarHBondContact O-CG2 3.28Å; C1086-V1090 PolarHBondContact O-N 2.97Å; C1086-V1090 VanDerWaalsContact O-N 3.12Å; C1086-N1096 PolarHBondContact SG-OD1 2.95Å; C1086-L1103 HydrophobicContact CB-CD2 3.88Å |
| 1087 | I | 93.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.5 | -47.1 | -179 | -62.2 | 176.2 | 0 | 0 | 0 | 110.9 | S883 L1082 A1089 V1090 L1091 P1104 W1106 V1107 | S883-I1087 VanDerWaalsContact OG-CB 3.26Å; S883-I1087 WeakPolarHBondContact OG-CB 3.33Å; S883-I1087 VanDerWaalsContact OG-CG2 3.26Å; S883-I1087 WeakPolarHBondContact OG-CG2 3.43Å; L1082-I1087 HydrophobicContact CD1-CD1 4.2Å; L1082-I1087 HydrophobicContact CD1-CG1 3.87Å; L1082-I1087 HydrophobicContact CD2-CD1 4.02Å; L1082-I1087 HydrophobicContact CG-CD1 3.67Å; L1082-I1087 HydrophobicContact CG-CG1 3.8Å; L1082-I1087 WeakPolarHBondContact O-CB 3.17Å; L1082-I1087 WeakPolarHBondContact O-CG1 3.23Å; L1082-I1087 PolarHBondContact O-N 2.96Å; I1087-A1089 PolarHBondContact O-N 3.38Å; I1087-V1090 PolarHBondContact O-N 3.48Å; I1087-L1091 HydrophobicContact CG2-CD1 3.68Å; I1087-L1091 HydrophobicContact CG2-CG 4.19Å; I1087-L1091 WeakPolarHBondContact O-CB 3.45Å; I1087-L1091 VanDerWaalsContact O-CG 3.32Å; I1087-L1091 WeakPolarHBondContact O-CG 3.5Å; I1087-L1091 PolarHBondContact O-N 2.88Å; I1087-P1104 HydrophobicContact CD1-CG 4.2Å; I1087-W1106 HydrophobicContact CD1-CZ2 4.24Å; I1087-W1106 HydrophobicContact CG2-CH2 4.17Å; I1087-W1106 HydrophobicContact CG2-CZ2 4.45Å; I1087-V1107 HydrophobicContact CD1-CG2 4.12Å; I1087-V1107 HydrophobicContact CG1-CG2 4.02Å; I1087-V1107 HydrophobicContact CG2-CG2 4.24Å |
| 1088 | P | 92.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -55.3 | -47.1 | 173.1 | -28.7 | 37.5 | 0 | 0 | 0 | 113.6 | Y942 K1083 V1090 L1091 Q1092 | Y942-P1088 WeakPolarHBondContact OH-CB 3.48Å; K1083-P1088 WeakPolarHBondContact O-CG 3.32Å; P1088-V1090 VanDerWaalsContact C-N 3.32Å; P1088-V1090 PolarHBondContact O-N 2.78Å; P1088-L1091 PolarHBondContact O-N 3.45Å; P1088-Q1092 WeakPolarHBondContact O-CG 3.34Å; P1088-Q1092 PolarHBondContact O-N 3.05Å |
| 1089 | A | 93.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -55 | -50.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y942 V1085 I1087 L1091 Q1092 G1093 I1094 P1097 | Y942-A1089 HydrophobicContact CD1-CB 3.57Å; Y942-A1089 HydrophobicContact CD2-CB 3.93Å; Y942-A1089 HydrophobicContact CE1-CB 3.57Å; Y942-A1089 HydrophobicContact CE2-CB 3.94Å; Y942-A1089 HydrophobicContact CG-CB 3.76Å; Y942-A1089 PolarHBondContact OH-N 2.94Å; V1085-A1089 WeakPolarHBondContact O-CB 3.38Å; V1085-A1089 PolarHBondContact O-N 3.48Å; I1087-A1089 PolarHBondContact O-N 3.38Å; A1089-L1091 PolarHBondContact O-N 3.49Å; A1089-Q1092 CarbonylContact O-C 3.39Å; A1089-Q1092 PolarHBondContact O-N 3.43Å; A1089-Q1092 VanDerWaalsContact O-N 3.15Å; A1089-G1093 PolarHBondContact O-N 3.29Å; A1089-I1094 CarbonylContact C-O 3.5Å; A1089-I1094 HydrophobicContact CB-CB 4.18Å; A1089-I1094 HydrophobicContact CB-CG2 4.44Å; A1089-I1094 WeakPolarHBondContact O-CA 3.38Å; A1089-I1094 WeakPolarHBondContact O-CB 3.45Å; A1089-I1094 PolarHBondContact O-N 3.09Å; A1089-P1097 HydrophobicContact CB-CG 3.91Å |
| 1090 | V | 91 | Very high | 92.1 | Very high | 10 Ų | 10 | 28.9 Ų | 28.9 | 6% | 0.061 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.8 | -35.1 | -175.8 | 171.2 | 0 | 0 | 0 | 0 | 112.4 | C1086 I1087 P1088 Q1092 G1093 I1094 N1096 L1103 V1107 V1111 | C1086-V1090 WeakPolarHBondContact O-CB 3.4Å; C1086-V1090 WeakPolarHBondContact O-CG2 3.28Å; C1086-V1090 PolarHBondContact O-N 2.97Å; C1086-V1090 VanDerWaalsContact O-N 3.12Å; I1087-V1090 PolarHBondContact O-N 3.48Å; P1088-V1090 VanDerWaalsContact C-N 3.32Å; P1088-V1090 PolarHBondContact O-N 2.78Å; V1090-Q1092 VanDerWaalsContact C-N 3.32Å; V1090-G1093 PolarHBondContact O-N 3.15Å; V1090-I1094 WeakPolarHBondContact CA-O 3.45Å; V1090-I1094 WeakPolarHBondContact CG2-O 3.23Å; V1090-I1094 PolarHBondContact N-O 2.79Å; V1090-N1096 HydrophobicContact CG2-CB 4.24Å; V1090-L1103 HydrophobicContact CG1-CD1 4.17Å; V1090-L1103 HydrophobicContact CG2-CD1 3.88Å; V1090-L1103 HydrophobicContact CG2-CD2 4.1Å; V1090-V1107 HydrophobicContact CB-CG1 4.34Å; V1090-V1107 HydrophobicContact CG1-CG1 3.71Å; V1090-V1111 HydrophobicContact CB-CG2 4.48Å; V1090-V1111 HydrophobicContact CG1-CB 4.41Å; V1090-V1111 HydrophobicContact CG1-CG2 2.99Å |
| 1091 | L | 87.8 | Confident | 92.1 | Very high | 36 Ų | 36 | 28.9 Ų | 28.9 | 19% | 0.188 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -73.5 | -23.5 | 174.1 | -68.7 | 177.5 | 0 | 0 | 0 | 113 | C510 I1087 P1088 A1089 G1093 K1110 | C510-L1091 WeakPolarHBondContact SG-CD1 3.5Å; I1087-L1091 HydrophobicContact CG2-CD1 3.68Å; I1087-L1091 HydrophobicContact CG2-CG 4.19Å; I1087-L1091 WeakPolarHBondContact O-CB 3.45Å; I1087-L1091 VanDerWaalsContact O-CG 3.32Å; I1087-L1091 WeakPolarHBondContact O-CG 3.5Å; I1087-L1091 PolarHBondContact O-N 2.88Å; P1088-L1091 PolarHBondContact O-N 3.45Å; A1089-L1091 PolarHBondContact O-N 3.49Å; L1091-G1093 VanDerWaalsContact C-N 3.29Å; L1091-K1110 HydrophobicContact CD2-CD 3.82Å; L1091-K1110 HydrophobicContact CD2-CG 4.49Å |
| 1092 | Q | 89.4 | Confident | 91.9 | Very high | 44 Ų | 44 | 33.4 Ų | 33.4 | 21% | 0.206 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 14.4 | 169.7 | -67.3 | -174.1 | -61.9 | 0 | 0 | 113.1 | G511 V512 L938 Y942 P1088 A1089 V1090 I1094 | G511-Q1092 VanDerWaalsContact CA-CD 3.41Å; G511-Q1092 VanDerWaalsContact CA-OE1 3.26Å; V512-Q1092 PolarHBondContact O-NE2 3.03Å; L938-Q1092 HydrophobicContact CD1-CB 4.49Å; Y942-Q1092 PolarHBondContact OH-OE1 2.83Å; P1088-Q1092 WeakPolarHBondContact O-CG 3.34Å; P1088-Q1092 PolarHBondContact O-N 3.05Å; A1089-Q1092 CarbonylContact O-C 3.39Å; A1089-Q1092 PolarHBondContact O-N 3.43Å; A1089-Q1092 VanDerWaalsContact O-N 3.15Å; V1090-Q1092 VanDerWaalsContact C-N 3.32Å; Q1092-I1094 PolarHBondContact O-N 3.13Å |
| 1093 | G | 87.3 | Confident | 91.7 | Very high | 61 Ų | 61 | 34.2 Ų | 34.2 | 63% | 0.629 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | 4.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116 | A1089 V1090 L1091 | A1089-G1093 PolarHBondContact O-N 3.29Å; V1090-G1093 PolarHBondContact O-N 3.15Å; L1091-G1093 VanDerWaalsContact C-N 3.29Å |
| 1094 | I | 90.8 | Very high | 91.6 | Very high | 40 Ų | 40 | 33.5 Ų | 33.5 | 21% | 0.205 | 21% | 0.205 | C | C | . | . | trans | -90.2 | 126 | 176.6 | -56.2 | -60.3 | 0 | 0 | 0 | 109.7 | L938 Y942 A1089 V1090 Q1092 | L938-I1094 HydrophobicContact CB-CD1 4.25Å; L938-I1094 HydrophobicContact CB-CG1 4.26Å; Y942-I1094 HydrophobicContact CD2-CB 4.28Å; Y942-I1094 HydrophobicContact CD2-CG1 3.99Å; Y942-I1094 HydrophobicContact CD2-CG2 4.37Å; Y942-I1094 HydrophobicContact CE2-CG1 4.43Å; A1089-I1094 CarbonylContact C-O 3.5Å; A1089-I1094 HydrophobicContact CB-CB 4.18Å; A1089-I1094 HydrophobicContact CB-CG2 4.44Å; A1089-I1094 WeakPolarHBondContact O-CA 3.38Å; A1089-I1094 WeakPolarHBondContact O-CB 3.45Å; A1089-I1094 PolarHBondContact O-N 3.09Å; V1090-I1094 WeakPolarHBondContact CA-O 3.45Å; V1090-I1094 WeakPolarHBondContact CG2-O 3.23Å; V1090-I1094 PolarHBondContact N-O 2.79Å; Q1092-I1094 PolarHBondContact O-N 3.13Å | ||
| 1095 | P | 87.6 | Confident | 91.4 | Very high | 109 Ų | 109 | 38.4 Ų | 38.4 | 71% | 0.708 | 23% | 0.231 | S | C | * | . | trans | -53.8 | 153.4 | 175.7 | -24.8 | 33.6 | 0 | 0 | 0 | 112.1 | P1097 | P1095-P1097 WeakPolarHBondContact O-CD 3.4Š| ||
| 1096 | N | 93.7 | Very high | 91.2 | Very high | 36 Ų | 36 | 40.5 Ų | 40.5 | 19% | 0.193 | 24% | 0.239 | C | C | . | . | trans | -50.6 | 107.6 | -175.8 | -178.3 | 13 | 0 | 0 | 0 | 111.4 | C1086 V1090 V1098 V1101 L1103 | C1086-N1096 PolarHBondContact SG-OD1 2.95Å; V1090-N1096 HydrophobicContact CG2-CB 4.24Å; N1096-V1098 PolarHBondContact ND2-O 3.04Å; N1096-V1098 PolarHBondContact O-N 2.78Å; N1096-V1098 PolarHBondContact OD1-N 3.4Å; N1096-V1098 PolarHBondContact OD1-O 3.42Å; N1096-V1101 PolarHBondContact ND2-O 2.9Å; N1096-L1103 HydrophobicContact CB-CD1 4.13Å; N1096-L1103 HydrophobicContact CB-CD2 4.47Å; N1096-L1103 HydrophobicContact CB-CG 4.25Å | ||
| 1097 | P | 92.3 | Very high | 90.7 | Very high | 25 Ų | 25 | 40.5 Ų | 40.5 | 16% | 0.162 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -78 | -12.9 | -170.2 | 33 | -37.5 | 0 | 0 | 0 | 112.1 | S946 V1085 A1089 P1095 | S946-P1097 PolarHBondContact OG-O 3.36Å; V1085-P1097 HydrophobicContact CG1-CG 3.88Å; A1089-P1097 HydrophobicContact CB-CG 3.91Å; P1095-P1097 WeakPolarHBondContact O-CD 3.4Å |
| 1098 | V | 95.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -123.6 | 79.3 | 175.5 | -171.1 | 0 | 0 | 0 | 0 | 109.2 | S946 A949 L953 V1081 V1085 N1096 R1100 V1101 | S946-V1098 WeakPolarHBondContact OG-CG2 3.48Å; A949-V1098 HydrophobicContact CB-CG2 3.9Å; L953-V1098 HydrophobicContact CD1-CG1 3.73Å; V1081-V1098 HydrophobicContact CG1-CB 4.32Å; V1081-V1098 HydrophobicContact CG1-CG1 4.38Å; V1081-V1098 HydrophobicContact CG1-CG2 4.14Å; V1085-V1098 HydrophobicContact CG1-CG2 4.42Å; N1096-V1098 PolarHBondContact ND2-O 3.04Å; N1096-V1098 PolarHBondContact O-N 2.78Å; N1096-V1098 PolarHBondContact OD1-N 3.4Å; N1096-V1098 PolarHBondContact OD1-O 3.42Å; V1098-R1100 PolarHBondContact O-N 2.78Å; V1098-V1101 HydrophobicContact CG1-CB 4.49Å; V1098-V1101 HydrophobicContact CG1-CG2 4.06Å; V1098-V1101 PolarHBondContact O-N 3.08Å | ||
| 1099 | P | 90.4 | Very high | 89.8 | Confident | 104 Ų | 104 | 48.7 Ų | 48.7 | 68% | 0.675 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -24.6 | -174.6 | -26.6 | 35.3 | 0 | 0 | 0 | 115 | V1101 | P1099-V1101 PolarHBondContact O-N 3.39Š|
| 1100 | R | 91.2 | Very high | 89.1 | Confident | 85 Ų | 85 | 53.2 Ų | 53.2 | 32% | 0.321 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -23.1 | 174.8 | -67.7 | 167.1 | 73.1 | -178.6 | 16.6 | 113.1 | N950 D954 V1098 P1102 | N950-R1100 PolarHBondContact OD1-NH1 3.38Å; D954-R1100 IonicContact OD1-CZ 3.33Å; D954-R1100 IonicContact OD1-NH1 3.52Å; D954-R1100 PolarHBondContact OD1-NH1 3.41Å; D954-R1100 IonicContact OD1-NH2 3.53Å; D954-R1100 PolarHBondContact OD1-NH2 3.37Å; D954-R1100 IonicContact OD2-NH1 2.72Å; V1098-R1100 PolarHBondContact O-N 2.78Å; R1100-P1102 WeakPolarHBondContact O-CD 3.48Å |
| 1101 | V | 93.9 | Very high | 88.4 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.018 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -102 | 105 | 174.1 | 179.9 | 0 | 0 | 0 | 0 | 108.2 | L953 V1081 L1082 N1096 V1098 P1099 | L953-V1101 HydrophobicContact CD1-CG2 4Å; V1081-V1101 HydrophobicContact CB-CG2 4.41Å; V1081-V1101 HydrophobicContact CG1-CG2 4.12Å; L1082-V1101 HydrophobicContact CB-CG1 4.09Å; L1082-V1101 HydrophobicContact CD1-CG1 4.09Å; N1096-V1101 PolarHBondContact ND2-O 2.9Å; V1098-V1101 HydrophobicContact CG1-CB 4.49Å; V1098-V1101 HydrophobicContact CG1-CG2 4.06Å; V1098-V1101 PolarHBondContact O-N 3.08Å; P1099-V1101 PolarHBondContact O-N 3.39Å |
| 1102 | P | 89.9 | Confident | 87.7 | Confident | 96 Ų | 96 | 56.6 Ų | 56.6 | 62% | 0.623 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 137.7 | -177.1 | 27.3 | -33.4 | 0 | 0 | 0 | 111.3 | R1100 | R1100-P1102 WeakPolarHBondContact O-CD 3.48Š|
| 1103 | L | 90.8 | Very high | 86.8 | Confident | 23 Ų | 23 | 57.8 Ų | 57.8 | 12% | 0.12 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 143.8 | 174.9 | -63.8 | 174 | 0 | 0 | 0 | 111.3 | L1082 C1086 V1090 N1096 V1107 K1108 | L1082-L1103 HydrophobicContact CD1-CD2 4.16Å; C1086-L1103 HydrophobicContact CB-CD2 3.88Å; V1090-L1103 HydrophobicContact CG1-CD1 4.17Å; V1090-L1103 HydrophobicContact CG2-CD1 3.88Å; V1090-L1103 HydrophobicContact CG2-CD2 4.1Å; N1096-L1103 HydrophobicContact CB-CD1 4.13Å; N1096-L1103 HydrophobicContact CB-CD2 4.47Å; N1096-L1103 HydrophobicContact CB-CG 4.25Å; L1103-V1107 HydrophobicContact CB-CB 4.46Å; L1103-V1107 HydrophobicContact CD1-CG1 4.33Å; L1103-V1107 HydrophobicContact CD2-CG1 4.36Å; L1103-K1108 HydrophobicContact CB-CG 3.96Å; L1103-K1108 HydrophobicContact CD1-CG 4.49Å; L1103-K1108 WeakPolarHBondContact O-CE 3.47Å; L1103-K1108 PolarHBondContact O-NZ 3.48Å |
| 1104 | P | 90.7 | Very high | 85.8 | Confident | 26 Ų | 26 | 60.4 Ų | 60.4 | 17% | 0.169 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 148.7 | 166.1 | -22.9 | 31.9 | 0 | 0 | 0 | 111.4 | L1082 I1087 W1106 V1107 K1108 | L1082-P1104 HydrophobicContact CD1-CG 4.43Å; L1082-P1104 HydrophobicContact CD2-CG 3.69Å; L1082-P1104 HydrophobicContact CG-CG 4.5Å; I1087-P1104 HydrophobicContact CD1-CG 4.2Å; P1104-W1106 VanDerWaalsContact C-N 3.26Å; P1104-W1106 HydrophobicContact CB-CG 4.39Å; P1104-W1106 PolarHBondContact O-N 2.93Å; P1104-V1107 HydrophobicContact CB-CG2 4.2Å; P1104-V1107 HydrophobicContact CG-CG2 4.23Å; P1104-V1107 WeakPolarHBondContact O-CB 3.43Å; P1104-V1107 PolarHBondContact O-N 3.11Å; P1104-K1108 PolarHBondContact O-N 3.37Å |
| 1105 | D | 86.5 | Confident | 84.1 | Confident | 107 Ų | 107 | 61.7 Ų | 61.7 | 57% | 0.572 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -64.6 | -30.4 | -174.4 | -62.1 | -33.6 | 0 | 0 | 0 | 113.2 | V1107 K1108 N1109 | D1105-V1107 VanDerWaalsContact C-N 3.29Å; D1105-V1107 PolarHBondContact O-N 3.42Å; D1105-K1108 PolarHBondContact O-N 3.3Å; D1105-K1108 IonicContact OD1-NZ 3.62Å; D1105-K1108 PolarHBondContact OD1-NZ 3.28Å; D1105-N1109 WeakPolarHBondContact O-CB 3.24Å; D1105-N1109 PolarHBondContact O-N 3.15Å; D1105-N1109 PolarHBondContact O-ND2 3.3Å; D1105-N1109 VanDerWaalsContact O-ND2 3.15Å |
| 1106 | W | 90.1 | Very high | 82.1 | Confident | 45 Ų | 45 | 63.7 Ų | 63.7 | 17% | 0.17 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.9 | -35.9 | 174.1 | 73.7 | -98.4 | 0 | 0 | 0 | 112.4 | K885 E887 I1087 P1104 K1110 | K885-W1106 PolarHBondContact O-NE1 3.32Å; E887-W1106 HydrophobicContact CB-CB 4.05Å; E887-W1106 HydrophobicContact CB-CD2 3.79Å; E887-W1106 HydrophobicContact CB-CE3 4.21Å; E887-W1106 HydrophobicContact CB-CG 3.73Å; E887-W1106 HydrophobicContact CG-CB 4.18Å; E887-W1106 HydrophobicContact CG-CD2 4.05Å; E887-W1106 HydrophobicContact CG-CE3 3.98Å; E887-W1106 HydrophobicContact CG-CG 4.18Å; E887-W1106 VanDerWaalsContact OE2-CB 3.32Å; E887-W1106 WeakPolarHBondContact OE2-CB 3.33Å; I1087-W1106 HydrophobicContact CD1-CZ2 4.24Å; I1087-W1106 HydrophobicContact CG2-CH2 4.17Å; I1087-W1106 HydrophobicContact CG2-CZ2 4.45Å; P1104-W1106 VanDerWaalsContact C-N 3.26Å; P1104-W1106 HydrophobicContact CB-CG 4.39Å; P1104-W1106 PolarHBondContact O-N 2.93Å; W1106-K1110 HydrophobicContact CZ3-CD 4.43Å; W1106-K1110 WeakPolarHBondContact O-CB 3.5Å; W1106-K1110 PolarHBondContact O-N 3.5Å |
| 1107 | V | 86.3 | Confident | 79.8 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -70.2 | -47.1 | 177 | -176.1 | 0 | 0 | 0 | 0 | 109.8 | I1087 V1090 L1103 P1104 D1105 N1109 K1110 V1111 | I1087-V1107 HydrophobicContact CD1-CG2 4.12Å; I1087-V1107 HydrophobicContact CG1-CG2 4.02Å; I1087-V1107 HydrophobicContact CG2-CG2 4.24Å; V1090-V1107 HydrophobicContact CB-CG1 4.34Å; V1090-V1107 HydrophobicContact CG1-CG1 3.71Å; L1103-V1107 HydrophobicContact CB-CB 4.46Å; L1103-V1107 HydrophobicContact CD1-CG1 4.33Å; L1103-V1107 HydrophobicContact CD2-CG1 4.36Å; P1104-V1107 HydrophobicContact CB-CG2 4.2Å; P1104-V1107 HydrophobicContact CG-CG2 4.23Å; P1104-V1107 WeakPolarHBondContact O-CB 3.43Å; P1104-V1107 PolarHBondContact O-N 3.11Å; D1105-V1107 VanDerWaalsContact C-N 3.29Å; D1105-V1107 PolarHBondContact O-N 3.42Å; V1107-N1109 VanDerWaalsContact C-N 3.29Å; V1107-N1109 PolarHBondContact O-N 3.46Å; V1107-K1110 PolarHBondContact O-N 2.72Å; V1107-K1110 VanDerWaalsContact O-N 3.11Å; V1107-V1111 HydrophobicContact CG1-CG2 4.47Å; V1107-V1111 VanDerWaalsContact O-CG2 3.28Å; V1107-V1111 WeakPolarHBondContact O-CG2 3.42Å; V1107-V1111 PolarHBondContact O-N 3.21Å |
| 1108 | K | 84.7 | Confident | 77.4 | Confident | 93 Ų | 93 | 77.9 Ų | 77.9 | 40% | 0.404 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -56.1 | -44.7 | 175.3 | -63.6 | 176.9 | -170.1 | 147.1 | 0 | 111.6 | L1103 P1104 D1105 V1111 A1112 | L1103-K1108 HydrophobicContact CB-CG 3.96Å; L1103-K1108 HydrophobicContact CD1-CG 4.49Å; L1103-K1108 WeakPolarHBondContact O-CE 3.47Å; L1103-K1108 PolarHBondContact O-NZ 3.48Å; P1104-K1108 PolarHBondContact O-N 3.37Å; D1105-K1108 PolarHBondContact O-N 3.3Å; D1105-K1108 IonicContact OD1-NZ 3.62Å; D1105-K1108 PolarHBondContact OD1-NZ 3.28Å; K1108-V1111 PolarHBondContact O-N 3.27Å; K1108-A1112 WeakPolarHBondContact O-CB 3.3Å; K1108-A1112 PolarHBondContact O-N 3.46Å |
| 1109 | N | 82.5 | Confident | 74.8 | Confident | 79 Ų | 79 | 82.5 Ų | 82.5 | 42% | 0.422 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 177.2 | -70.4 | -27.8 | 0 | 0 | 0 | 111.6 | D1105 V1107 A1112 S1113 K1423 | D1105-N1109 WeakPolarHBondContact O-CB 3.24Å; D1105-N1109 PolarHBondContact O-N 3.15Å; D1105-N1109 PolarHBondContact O-ND2 3.3Å; D1105-N1109 VanDerWaalsContact O-ND2 3.15Å; V1107-N1109 VanDerWaalsContact C-N 3.29Å; V1107-N1109 PolarHBondContact O-N 3.46Å; N1109-A1112 PolarHBondContact O-N 2.87Å; N1109-S1113 PolarHBondContact O-N 3.3Å; N1109-K1423 PolarHBondContact ND2-NZ 3.44Å |
| 1110 | K | 78.8 | Confident | 72.4 | Confident | 95 Ų | 95 | 86.5 Ų | 86.5 | 41% | 0.413 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.2 | -43.7 | 177.9 | -167.5 | 169.2 | 177.8 | -173.4 | 0 | 111.8 | L1091 W1106 V1107 S1113 M1114 | L1091-K1110 HydrophobicContact CD2-CD 3.82Å; L1091-K1110 HydrophobicContact CD2-CG 4.49Å; W1106-K1110 HydrophobicContact CZ3-CD 4.43Å; W1106-K1110 WeakPolarHBondContact O-CB 3.5Å; W1106-K1110 PolarHBondContact O-N 3.5Å; V1107-K1110 PolarHBondContact O-N 2.72Å; V1107-K1110 VanDerWaalsContact O-N 3.11Å; K1110-S1113 WeakPolarHBondContact O-CB 3.23Å; K1110-S1113 PolarHBondContact O-N 2.82Å; K1110-S1113 VanDerWaalsContact O-N 3.13Å; K1110-S1113 PolarHBondContact O-OG 3.33Å; K1110-M1114 WeakPolarHBondContact O-CG 3.49Å; K1110-M1114 PolarHBondContact O-N 2.96Å |
| 1111 | V | 75 | Confident | 70.2 | Confident | 58 Ų | 58 | 90.5 Ų | 90.5 | 35% | 0.352 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.4 | -47 | 174.6 | 178 | 0 | 0 | 0 | 0 | 111.7 | V1090 V1107 K1108 S1113 M1114 G1115 | V1090-V1111 HydrophobicContact CB-CG2 4.48Å; V1090-V1111 HydrophobicContact CG1-CB 4.41Å; V1090-V1111 HydrophobicContact CG1-CG2 2.99Å; V1107-V1111 HydrophobicContact CG1-CG2 4.47Å; V1107-V1111 VanDerWaalsContact O-CG2 3.28Å; V1107-V1111 WeakPolarHBondContact O-CG2 3.42Å; V1107-V1111 PolarHBondContact O-N 3.21Å; K1108-V1111 PolarHBondContact O-N 3.27Å; V1111-S1113 PolarHBondContact O-N 2.75Å; V1111-M1114 PolarHBondContact O-N 2.93Å; V1111-G1115 PolarHBondContact O-N 3.44Å |
| 1112 | A | 73.2 | Confident | 68.1 | Low | 60 Ų | 60 | 97.4 Ų | 97.4 | 50% | 0.496 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61 | -29.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | K1108 N1109 | K1108-A1112 WeakPolarHBondContact O-CB 3.3Å; K1108-A1112 PolarHBondContact O-N 3.46Å; N1109-A1112 PolarHBondContact O-N 2.87Å |
| 1113 | S | 70.6 | Confident | 66 | Low | 68 Ų | 68 | 98.4 Ų | 98.4 | 48% | 0.476 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -75.2 | -36.8 | 173.2 | 77.4 | 0 | 0 | 0 | 0 | 113 | N1109 K1110 V1111 K1116 | N1109-S1113 PolarHBondContact O-N 3.3Å; K1110-S1113 WeakPolarHBondContact O-CB 3.23Å; K1110-S1113 PolarHBondContact O-N 2.82Å; K1110-S1113 VanDerWaalsContact O-N 3.13Å; K1110-S1113 PolarHBondContact O-OG 3.33Å; V1111-S1113 PolarHBondContact O-N 2.75Å; S1113-K1116 PolarHBondContact O-N 3.43Å |
| 1114 | M | 67 | Low | 64.4 | Low | 117 Ų | 117 | 101.9 Ų | 101.9 | 58% | 0.576 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -69.1 | -33.6 | 177 | -68.3 | 175.3 | 79.9 | 0 | 0 | 112.1 | K1110 V1111 K1116 | K1110-M1114 WeakPolarHBondContact O-CG 3.49Å; K1110-M1114 PolarHBondContact O-N 2.96Å; V1111-M1114 PolarHBondContact O-N 2.93Å; M1114-K1116 VanDerWaalsContact C-N 3.27Å; M1114-K1116 PolarHBondContact O-N 3.33Å |
| 1115 | G | 55.9 | Low | 62.8 | Low | 67 Ų | 67 | 104.9 Ų | 104.9 | 69% | 0.691 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -10.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | V1111 S1117 | V1111-G1115 PolarHBondContact O-N 3.44Å; G1115-S1117 PolarHBondContact O-N 3.43Å |
| 1116 | K | 45.8 | Very low | 61.1 | Low | 151 Ų | 151 | 106.4 Ų | 106.4 | 66% | 0.657 | 56% | 0.557 | S | S | * | * | trans | -84.8 | 85.4 | 174.9 | -70.7 | -178.4 | -179 | -175.8 | 0 | 109.4 | S1113 M1114 R1118 S1119 | S1113-K1116 PolarHBondContact O-N 3.43Å; M1114-K1116 VanDerWaalsContact C-N 3.27Å; M1114-K1116 PolarHBondContact O-N 3.33Å; K1116-R1118 PolarHBondContact O-N 2.92Å; K1116-S1119 PolarHBondContact O-N 3.07Å | ||
| 1117 | S | 45.1 | Very low | 59 | Low | 118 Ų | 118 | 111.9 Ų | 111.9 | 83% | 0.825 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | 7 | -178 | 108 | 0 | 0 | 0 | 0 | 115.6 | G1115 | G1115-S1117 PolarHBondContact O-N 3.43Š|
| 1118 | R | 41.4 | Very low | 56.7 | Low | 241 Ų | 241 | 119.5 Ų | 119.5 | 91% | 0.909 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.7 | 44.6 | 179.3 | -62.9 | -170.9 | 179 | -177.1 | -0.2 | 112.4 | K1116 | K1116-R1118 PolarHBondContact O-N 2.92Š|
| 1119 | S | 41.8 | Very low | 54.2 | Low | 96 Ų | 96 | 120.6 Ų | 120.6 | 67% | 0.671 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 132.1 | 172.6 | 63.9 | 0 | 0 | 0 | 0 | 112 | K1116 K1121 | K1116-S1119 PolarHBondContact O-N 3.07Å; S1119-K1121 PolarHBondContact O-N 2.97Å |
| 1120 | Q | 38.6 | Very low | 51.9 | Low | 188 Ų | 188 | 123.4 Ų | 123.4 | 88% | 0.879 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 122.6 | 174.7 | -160.9 | 172.1 | 9.8 | 0 | 0 | 111.3 | ||
| 1121 | K | 45.5 | Very low | 49.7 | Very low | 169 Ų | 169 | 126.8 Ų | 126.8 | 74% | 0.735 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 146 | 174.7 | -71.5 | -174.9 | 175.4 | -176.6 | 0 | 109.8 | S1119 L1123 | S1119-K1121 PolarHBondContact O-N 2.97Å; K1121-L1123 PolarHBondContact O-N 3.08Å |
| 1122 | K | 49.4 | Very low | 47.5 | Very low | 149 Ų | 149 | 128.5 Ų | 128.5 | 65% | 0.648 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 135.7 | -179.3 | -66 | 175 | -179.7 | 168.7 | 0 | 108.3 | T1124 D1125 | K1122-T1124 PolarHBondContact O-N 2.84Å; K1122-D1125 WeakPolarHBondContact CB-OD2 3.25Å; K1122-D1125 WeakPolarHBondContact O-CA 3.44Å; K1122-D1125 WeakPolarHBondContact O-CB 3.02Å; K1122-D1125 PolarHBondContact O-N 3.07Å |
| 1123 | L | 47.1 | Very low | 45.4 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 61% | 0.607 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -53.8 | -31.4 | 179.5 | -152.4 | 82.2 | 0 | 0 | 0 | 112.3 | K1121 D1125 M1126 F1127 | K1121-L1123 PolarHBondContact O-N 3.08Å; L1123-D1125 VanDerWaalsContact C-N 3.28Å; L1123-D1125 PolarHBondContact O-N 3.03Å; L1123-M1126 PolarHBondContact O-N 2.93Å; L1123-M1126 VanDerWaalsContact O-N 3.16Å; L1123-F1127 HydrophobicContact CD2-CE2 3.8Å; L1123-F1127 HydrophobicContact CG-CD2 4.25Å; L1123-F1127 HydrophobicContact CG-CE2 3.68Å; L1123-F1127 WeakPolarHBondContact O-CD2 3.38Å; L1123-F1127 PolarHBondContact O-N 3.03Å |
| 1124 | T | 56.1 | Low | 43.3 | Very low | 97 Ų | 97 | 139.2 Ų | 139.2 | 60% | 0.595 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -63.2 | -30.3 | 173.7 | 48.9 | 0 | 0 | 0 | 0 | 113.9 | K1122 M1126 F1127 K1128 | K1122-T1124 PolarHBondContact O-N 2.84Å; T1124-M1126 VanDerWaalsContact C-N 3.27Å; T1124-F1127 PolarHBondContact O-N 2.68Å; T1124-K1128 PolarHBondContact O-N 2.6Å |
| 1125 | D | 57.9 | Low | 41.4 | Very low | 88 Ų | 88 | 141.2 Ų | 141.2 | 47% | 0.471 | 74% | 0.736 | S | S | . | * | H | α-helix | trans | -75.2 | -23 | 177.7 | -55.3 | -24.8 | 0 | 0 | 0 | 110.9 | K1122 L1123 | K1122-D1125 WeakPolarHBondContact CB-OD2 3.25Å; K1122-D1125 WeakPolarHBondContact O-CA 3.44Å; K1122-D1125 WeakPolarHBondContact O-CB 3.02Å; K1122-D1125 PolarHBondContact O-N 3.07Å; L1123-D1125 VanDerWaalsContact C-N 3.28Å; L1123-D1125 PolarHBondContact O-N 3.03Å |
| 1126 | M | 51 | Low | 40 | Very low | 140 Ų | 140 | 146.5 Ų | 146.5 | 69% | 0.69 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -80 | -18.1 | 174.5 | -58.8 | -171.7 | 87.9 | 0 | 0 | 113.2 | L1123 T1124 | L1123-M1126 PolarHBondContact O-N 2.93Å; L1123-M1126 VanDerWaalsContact O-N 3.16Å; T1124-M1126 VanDerWaalsContact C-N 3.27Å |
| 1127 | F | 44.5 | Very low | 39.1 | Very low | 159 Ų | 159 | 145.6 Ų | 145.6 | 70% | 0.697 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -108.6 | 11.9 | -178.7 | -65 | -63 | 0 | 0 | 0 | 114.1 | L1123 T1124 C1129 | L1123-F1127 HydrophobicContact CD2-CE2 3.8Å; L1123-F1127 HydrophobicContact CG-CD2 4.25Å; L1123-F1127 HydrophobicContact CG-CE2 3.68Å; L1123-F1127 WeakPolarHBondContact O-CD2 3.38Å; L1123-F1127 PolarHBondContact O-N 3.03Å; T1124-F1127 PolarHBondContact O-N 2.68Å; F1127-C1129 PolarHBondContact O-N 2.72Å; F1127-C1129 VanDerWaalsContact O-N 3.15Å |
| 1128 | K | 39.2 | Very low | 38.3 | Very low | 160 Ų | 160 | 144.9 Ų | 144.9 | 70% | 0.696 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -67.1 | 114.4 | 166.1 | -88.9 | -174.8 | 174.5 | -178.9 | 0 | 108.3 | T1124 T1130 | T1124-K1128 PolarHBondContact O-N 2.6Å; K1128-T1130 PolarHBondContact O-N 2.8Å |
| 1129 | C | 32 | Very low | 37.5 | Very low | 117 Ų | 117 | 141.3 Ų | 141.3 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | trans | -53.7 | 106.3 | 178.1 | -167 | 0 | 0 | 0 | 0 | 110.4 | F1127 M1131 | F1127-C1129 PolarHBondContact O-N 2.72Å; F1127-C1129 VanDerWaalsContact O-N 3.15Å; C1129-M1131 PolarHBondContact O-N 2.86Å | ||
| 1130 | T | 35 | Very low | 36.5 | Very low | 137 Ų | 137 | 145.2 Ų | 145.2 | 84% | 0.84 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -68 | 117.2 | 167.1 | 21 | 0 | 0 | 0 | 0 | 108.4 | K1128 | K1128-T1130 PolarHBondContact O-N 2.8Š|
| 1131 | M | 31.8 | Very low | 35.9 | Very low | 167 Ų | 167 | 142.7 Ų | 142.7 | 82% | 0.823 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 137.9 | -176.9 | -70.7 | -106.9 | 76.3 | 0 | 0 | 112 | C1129 | C1129-M1131 PolarHBondContact O-N 2.86Š|
| 1132 | S | 29 | Very low | 35 | Very low | 94 Ų | 94 | 144.4 Ų | 144.4 | 66% | 0.657 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 119.9 | -174 | 46.6 | 0 | 0 | 0 | 0 | 115.7 | ||
| 1133 | N | 28.1 | Very low | 33.7 | Very low | 168 Ų | 168 | 145.1 Ų | 145.1 | 90% | 0.898 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 117.1 | 150.8 | -93 | -14.5 | 0 | 0 | 0 | 108.7 | I1135 | N1133-I1135 PolarHBondContact O-N 3.08Š|
| 1134 | Q | 26.6 | Very low | 32.6 | Very low | 184 Ų | 184 | 143.1 Ų | 143.1 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 124.7 | 173.3 | -67 | 172.9 | -20.7 | 0 | 0 | 110.4 | ||
| 1135 | I | 27.6 | Very low | 31 | Very low | 159 Ų | 159 | 142.6 Ų | 142.6 | 82% | 0.815 | 77% | 0.772 | S | S | * | * | trans | -131 | 104.7 | 148.3 | -62.6 | -178.6 | 0 | 0 | 0 | 105.6 | N1133 | N1133-I1135 PolarHBondContact O-N 3.08Š| ||
| 1136 | E | 26.7 | Very low | 29.3 | Very low | 178 Ų | 178 | 147 Ų | 147 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -57.5 | 135.2 | 163.5 | -68.8 | 176.5 | 141.8 | 0 | 0 | 109.5 | ||||
| 1137 | T | 27.2 | Very low | 28 | Very low | 133 Ų | 133 | 145 Ų | 145 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | trans | -167.9 | 122.5 | 132.3 | 11.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1138 | S | 27.1 | Very low | 26.9 | Very low | 102 Ų | 102 | 142.4 Ų | 142.4 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | trans | -46.9 | 139.4 | 163.9 | 50.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1139 | L | 24.5 | Very low | 26.3 | Very low | 166 Ų | 166 | 139.7 Ų | 139.7 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | -176.9 | 131.5 | 115.2 | -93.2 | 153.8 | 0 | 0 | 0 | 110.1 | |||||
| 1140 | K | 22.6 | Very low | 25.8 | Very low | 178 Ų | 178 | 138.5 Ų | 138.5 | 77% | 0.774 | 80% | 0.797 | S | S | * | * | trans | -69.7 | 160.7 | 167.6 | -70.9 | 176.9 | 168.8 | 179.3 | 0 | 110.5 | ||||
| 1141 | D | 25.9 | Very low | 25.3 | Very low | 135 Ų | 135 | 143.1 Ų | 143.1 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | trans | 76 | 106.1 | 155.3 | -51.3 | -32.1 | 0 | 0 | 0 | 116.9 | ||||
| 1142 | F | 25.2 | Very low | 24.8 | Very low | 205 Ų | 205 | 141.2 Ų | 141.2 | 90% | 0.899 | 80% | 0.8 | S | S | * | * | -178.5 | 127 | 99.6 | -111.2 | -91.7 | 0 | 0 | 0 | 111.6 | |||||
| 1143 | D | 23.5 | Very low | 24.4 | Very low | 165 Ų | 165 | 143 Ų | 143 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | trans | -54.1 | 141.7 | 159 | -83.2 | -48.1 | 0 | 0 | 0 | 111.5 | ||||
| 1144 | G | 23.7 | Very low | 24.2 | Very low | 73 Ų | 73 | 141.5 Ų | 141.5 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | trans | 170.4 | 81.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1145 | A | 22.1 | Very low | 24 | Very low | 87 Ų | 87 | 140.6 Ų | 140.6 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | 40.8 | 121.5 | 127.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 1146 | H | 22.1 | Very low | 23.8 | Very low | 179 Ų | 179 | 137.3 Ų | 137.3 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | trans | 68.6 | 110.7 | 132.8 | -64.8 | -58.5 | 0 | 0 | 0 | 120.6 | ||||
| 1147 | S | 22.8 | Very low | 23.7 | Very low | 100 Ų | 100 | 135.8 Ų | 135.8 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | 83.7 | 140.7 | 118.3 | 78.4 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 1148 | S | 22.3 | Very low | 23.7 | Very low | 104 Ų | 104 | 137 Ų | 137 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | 73.6 | 106.4 | 151.6 | 67.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1149 | A | 25.8 | Very low | 23.6 | Very low | 102 Ų | 102 | 139.4 Ų | 139.4 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | 73.2 | 110.2 | 83.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1150 | A | 22.9 | Very low | 23.5 | Very low | 92 Ų | 92 | 137.8 Ų | 137.8 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | trans | -155.3 | 105.5 | 151.1 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 1151 | R | 23.9 | Very low | 23.6 | Very low | 235 Ų | 235 | 134.3 Ų | 134.3 | 89% | 0.887 | 76% | 0.759 | S | S | * | * | 67.4 | 113.1 | 81.9 | -83.5 | -174.1 | 172 | 176 | -1.2 | 113.1 | |||||
| 1152 | C | 21 | Very low | 23.4 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | trans | -163.1 | 133 | 134.3 | -152.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1153 | E | 21.7 | Very low | 23.3 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 62% | 0.621 | 76% | 0.759 | S | S | * | * | cis | 175.9 | 155.9 | -26.2 | -128.8 | -176.5 | -155.1 | 0 | 0 | 104.4 | ||||
| 1154 | Q | 22.7 | Very low | 23.3 | Very low | 136 Ų | 136 | 132.5 Ų | 132.5 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | trans | 75.3 | 136.6 | 157.7 | -65.6 | 174.5 | 37.7 | 0 | 0 | 116.6 | ||||
| 1155 | K | 22.8 | Very low | 23.3 | Very low | 165 Ų | 165 | 138.6 Ų | 138.6 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | cis | -169.6 | 126.1 | 17 | -112.3 | 158.6 | -178.5 | 158.5 | 0 | 104.6 | ||||
| 1156 | S | 22.6 | Very low | 23.4 | Very low | 89 Ų | 89 | 144.6 Ų | 144.6 | 62% | 0.622 | 77% | 0.766 | S | S | * | * | 112.9 | 147 | 80.2 | 68.4 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 1157 | D | 26 | Very low | 23.5 | Very low | 146 Ų | 146 | 142.3 Ų | 142.3 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | trans | 95.6 | 87.3 | 157.1 | -48.4 | -37.1 | 0 | 0 | 0 | 119 | ||||
| 1158 | L | 26.3 | Very low | 23.5 | Very low | 158 Ų | 158 | 146.9 Ų | 146.9 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | -44.1 | 142 | 145.9 | -68.5 | 119.6 | 0 | 0 | 0 | 112.1 | ||||
| 1159 | N | 24.3 | Very low | 23.6 | Very low | 153 Ų | 153 | 149.3 Ų | 149.3 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -170.5 | 102.8 | 131.2 | -94.4 | -19.9 | 0 | 0 | 0 | 111.9 | ||||
| 1160 | D | 24.2 | Very low | 23.5 | Very low | 132 Ų | 132 | 148.9 Ų | 148.9 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | 44.9 | 110.1 | 124.8 | -82.4 | -18.8 | 0 | 0 | 0 | 121.9 | |||||
| 1161 | T | 23.5 | Very low | 23.7 | Very low | 105 Ų | 105 | 153.3 Ų | 153.3 | 64% | 0.644 | 77% | 0.774 | S | S | * | * | 76.7 | 120.1 | 124.2 | 57.6 | 0 | 0 | 0 | 0 | 122 | |||||
| 1162 | R | 21.9 | Very low | 23.8 | Very low | 222 Ų | 222 | 148.7 Ų | 148.7 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | 60 | 109.4 | 126.4 | -64.1 | 176 | 173.9 | 177.5 | -1.2 | 117.8 | |||||
| 1163 | N | 23.1 | Very low | 24 | Very low | 146 Ų | 146 | 147 Ų | 147 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | -172.6 | 110.5 | 102.8 | -97.5 | -25.7 | 0 | 0 | 0 | 112.4 | |||||
| 1164 | S | 24.3 | Very low | 24.2 | Very low | 100 Ų | 100 | 150.3 Ų | 150.3 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | 11.7 | 108.4 | 125.8 | 47 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 1165 | K | 22.5 | Very low | 24.4 | Very low | 201 Ų | 201 | 149.6 Ų | 149.6 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | -151 | 111.6 | 134.3 | -111 | 170.4 | -171.2 | 178.9 | 0 | 110.7 | V1167 | K1165-V1167 PolarHBondContact O-N 2.91Š| ||
| 1166 | K | 25.5 | Very low | 24.5 | Very low | 212 Ų | 212 | 148.9 Ų | 148.9 | 92% | 0.922 | 78% | 0.775 | S | S | * | * | trans | -34.9 | 110.2 | 166.3 | -66.3 | 170 | 173.4 | 177.7 | 0 | 111.5 | ||||
| 1167 | V | 23.3 | Very low | 24.8 | Very low | 132 Ų | 132 | 147.5 Ų | 147.5 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 117.9 | 159 | 177.4 | 0 | 0 | 0 | 0 | 106.9 | K1165 I1169 | K1165-V1167 PolarHBondContact O-N 2.91Å; V1167-I1169 PolarHBondContact O-N 3.45Å |
| 1168 | K | 23.7 | Very low | 25.2 | Very low | 195 Ų | 195 | 143.7 Ų | 143.7 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 122.9 | 176 | -73.8 | 177.1 | 177.8 | -179.5 | 0 | 109.2 | ||
| 1169 | I | 24.3 | Very low | 25.9 | Very low | 155 Ų | 155 | 139.1 Ų | 139.1 | 80% | 0.795 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 122.1 | 175.4 | -61.6 | 165.2 | 0 | 0 | 0 | 107.9 | V1167 | V1167-I1169 PolarHBondContact O-N 3.45Š|
| 1170 | P | 23.6 | Very low | 26.8 | Very low | 94 Ų | 94 | 134.2 Ų | 134.2 | 61% | 0.61 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 130.8 | 175.1 | 28 | -29.3 | 0 | 0 | 0 | 109.2 | I1172 | P1170-I1172 PolarHBondContact O-N 3.07Š|
| 1171 | L | 27.4 | Very low | 28.5 | Very low | 185 Ų | 185 | 129.8 Ų | 129.8 | 97% | 0.969 | 68% | 0.678 | S | S | * | * | trans | -56.9 | 105.1 | 168.5 | -83 | 118.8 | 0 | 0 | 0 | 109.1 | ||||
| 1172 | I | 24.3 | Very low | 30.4 | Very low | 138 Ų | 138 | 125.2 Ų | 125.2 | 71% | 0.708 | 65% | 0.649 | S | S | * | * | trans | -106.2 | 100.5 | 170.2 | -64.2 | 173.9 | 0 | 0 | 0 | 107.2 | P1170 | P1170-I1172 PolarHBondContact O-N 3.07Š| ||
| 1173 | S | 26.1 | Very low | 33.1 | Very low | 91 Ų | 91 | 114.9 Ų | 114.9 | 64% | 0.636 | 61% | 0.611 | S | S | * | * | trans | 21.5 | 110.8 | 150.9 | 58.8 | 0 | 0 | 0 | 0 | 118.6 | T1175 | S1173-T1175 PolarHBondContact O-N 3.31Š| ||
| 1174 | E | 25.7 | Very low | 35.7 | Very low | 202 Ų | 202 | 108.1 Ų | 108.1 | 94% | 0.944 | 58% | 0.575 | S | S | * | * | trans | 0.7 | 83.2 | 151.7 | -64.7 | 176 | 171.2 | 0 | 0 | 116.2 | ||||
| 1175 | T | 26.1 | Very low | 38.3 | Very low | 121 Ų | 121 | 104 Ų | 104 | 74% | 0.742 | 55% | 0.546 | S | S | * | . | trans | -82.2 | 133.1 | 169.3 | 41.3 | 0 | 0 | 0 | 0 | 111.3 | S1173 A1177 | S1173-T1175 PolarHBondContact O-N 3.31Å; T1175-A1177 PolarHBondContact O-N 3.43Å | ||
| 1176 | E | 26.6 | Very low | 40.8 | Very low | 150 Ų | 150 | 97 Ų | 97 | 70% | 0.701 | 52% | 0.521 | S | S | * | . | trans | -57.4 | 105.1 | -179 | -65.3 | 171.4 | 162.5 | 0 | 0 | 113.3 | ||||
| 1177 | A | 29.2 | Very low | 43.3 | Very low | 60 Ų | 60 | 88.7 Ų | 88.7 | 50% | 0.496 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 126.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T1175 R1325 | T1175-A1177 PolarHBondContact O-N 3.43Å; A1177-R1325 VanDerWaalsContact N-CZ 3.29Å; A1177-R1325 PolarHBondContact O-NH1 3.5Å |
| 1178 | P | 34.2 | Very low | 45.6 | Very low | 66 Ų | 66 | 87.8 Ų | 87.8 | 43% | 0.429 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -67 | 138.4 | -179.8 | 25 | -31 | 0 | 0 | 0 | 112.4 | P1362 | P1178-P1362 HydrophobicContact CG-CG 4.11Š|
| 1179 | N | 40.2 | Very low | 48.1 | Very low | 61 Ų | 61 | 82.8 Ų | 82.8 | 33% | 0.326 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 132.3 | -174.1 | -89 | -16.1 | 0 | 0 | 0 | 113.1 | R1181 D1527 | N1179-R1181 PolarHBondContact O-N 2.91Å; N1179-D1527 PolarHBondContact ND2-OD2 3Å |
| 1180 | P | 44 | Very low | 50.4 | Low | 51 Ų | 51 | 82.9 Ų | 82.9 | 33% | 0.331 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 122.6 | 169.3 | 28.8 | -31.6 | 0 | 0 | 0 | 109.7 | M1198 V1293 | P1180-M1198 HydrophobicContact CB-CB 4.47Å; P1180-M1198 WeakPolarHBondContact CB-O 3.48Å; P1180-V1293 HydrophobicContact CG-CG1 4.32Å |
| 1181 | R | 58.9 | Low | 53.1 | Low | 39 Ų | 39 | 78.7 Ų | 78.7 | 15% | 0.147 | 44% | 0.438 | C | S | . | . | trans | -117.8 | 118.5 | -173 | -69.3 | -178.9 | -179.5 | 156.5 | -0.9 | 111.8 | N1179 E1523 | N1179-R1181 PolarHBondContact O-N 2.91Å; R1181-E1523 IonicContact CZ-OE1 2.84Å; R1181-E1523 IonicContact CZ-OE2 2.68Å; R1181-E1523 IonicContact NH1-OE1 3.01Å; R1181-E1523 PolarHBondContact NH1-OE1 3.04Å; R1181-E1523 IonicContact NH1-OE2 3.02Å; R1181-E1523 PolarHBondContact NH1-OE2 3.38Å; R1181-E1523 IonicContact NH2-OE1 3.07Å; R1181-E1523 IonicContact NH2-OE2 3.65Å; R1181-E1523 PolarHBondContact NH2-OE2 3.31Å | ||
| 1182 | N | 64.1 | Low | 55.9 | Low | 8 Ų | 8 | 70.4 Ų | 70.4 | 4% | 0.043 | 40% | 0.395 | C | S | . | . | trans | -79.2 | 152 | 174 | -63.8 | -19.7 | 0 | 0 | 0 | 111.4 | L1195 W1196 F1197 N1292 C1294 P1532 | N1182-L1195 HydrophobicContact CB-CD1 4.22Å; N1182-W1196 CarbonylContact C-O 3.49Å; N1182-W1196 WeakPolarHBondContact CA-O 3.47Å; N1182-F1197 VanDerWaalsContact OD1-CB 3.24Å; N1182-F1197 WeakPolarHBondContact OD1-CB 3.25Å; N1182-N1292 PolarHBondContact N-O 3.35Å; N1182-C1294 PolarHBondContact ND2-N 3.29Å; N1182-C1294 PolarHBondContact ND2-SG 2.94Å; N1182-P1532 WeakPolarHBondContact O-CA 3.29Å; N1182-P1532 VanDerWaalsContact O-CB 3.26Å; N1182-P1532 WeakPolarHBondContact O-CB 3.12Å | ||
| 1183 | N | 77.2 | Confident | 58.9 | Low | 5 Ų | 5 | 64.6 Ų | 64.6 | 3% | 0.027 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 134 | 166 | -174.1 | 20.7 | 0 | 0 | 0 | 109.4 | W1196 P1482 L1483 G1534 N1535 | N1183-W1196 HydrophobicContact CB-CB 4.1Å; N1183-W1196 PolarHBondContact N-O 3.29Å; N1183-W1196 PolarHBondContact O-N 3.04Å; N1183-P1482 HydrophobicContact CB-CB 4.26Å; N1183-P1482 WeakPolarHBondContact ND2-CB 3.06Å; N1183-L1483 PolarHBondContact ND2-O 2.89Å; N1183-G1534 WeakPolarHBondContact OD1-CA 3.24Å; N1183-N1535 PolarHBondContact OD1-OD1 3.04Å |
| 1184 | V | 78 | Confident | 61.8 | Low | 4 Ų | 4 | 61.3 Ų | 61.3 | 2% | 0.024 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 108.1 | -178.3 | -174 | 0 | 0 | 0 | 0 | 109.3 | F1193 L1195 L1283 V1286 L1287 N1535 | V1184-F1193 HydrophobicContact CG1-CB 3.64Å; V1184-F1193 HydrophobicContact CG1-CD1 3.77Å; V1184-F1193 HydrophobicContact CG1-CG 3.82Å; V1184-L1195 HydrophobicContact CG2-CD1 3.84Å; V1184-L1283 HydrophobicContact CB-CD1 4.13Å; V1184-L1283 HydrophobicContact CG1-CD1 3.86Å; V1184-V1286 HydrophobicContact CG1-CG1 4.03Å; V1184-L1287 HydrophobicContact CG2-CD2 4.5Å; V1184-N1535 PolarHBondContact N-OD1 2.78Å; V1184-N1535 PolarHBondContact O-ND2 2.82Å |
| 1185 | S | 79.5 | Confident | 64.7 | Low | 14 Ų | 14 | 51.9 Ų | 51.9 | 10% | 0.098 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 133.1 | -179.7 | -53 | 0 | 0 | 0 | 0 | 110.9 | F1193 T1194 | S1185-F1193 CarbonylContact O-C 3.58Å; S1185-F1193 WeakPolarHBondContact O-CA 3.47Å; S1185-T1194 PolarHBondContact N-O 2.98Å; S1185-T1194 PolarHBondContact O-N 3.36Å |
| 1186 | P | 75.1 | Confident | 67.5 | Low | 54 Ų | 54 | 47.3 Ų | 47.3 | 35% | 0.351 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 148.4 | 174.4 | 27.7 | -33 | 0 | 0 | 0 | 111.1 | F1193 | P1186-F1193 HydrophobicContact CB-CD1 4.33Å; P1186-F1193 HydrophobicContact CB-CE1 4.19Å |
| 1187 | T | 78.7 | Confident | 70 | Confident | 37 Ų | 37 | 41.2 Ų | 41.2 | 23% | 0.227 | 24% | 0.237 | C | C | . | . | trans | -111.2 | 172.7 | 170 | 78.5 | 0 | 0 | 0 | 0 | 110.6 | E1189 L1192 | T1187-E1189 PolarHBondContact O-N 3.03Å; T1187-E1189 PolarHBondContact OG1-N 3.25Å; T1187-E1189 PolarHBondContact OG1-O 2.72Å; T1187-L1192 WeakPolarHBondContact CB-O 3.22Å; T1187-L1192 WeakPolarHBondContact CG2-O 3.43Å; T1187-L1192 PolarHBondContact N-O 3.48Å; T1187-L1192 PolarHBondContact OG1-O 2.62Å | ||
| 1188 | A | 71.5 | Confident | 72.1 | Confident | 114 Ų | 114 | 38.9 Ų | 38.9 | 94% | 0.942 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -64.8 | -23.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1189 | E | 75.8 | Confident | 73.8 | Confident | 90 Ų | 90 | 39.9 Ų | 39.9 | 42% | 0.421 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -88.7 | 119.7 | 176.4 | -173.1 | -176.7 | 155.6 | 0 | 0 | 109.7 | T1187 G1191 L1192 R1209 | T1187-E1189 PolarHBondContact O-N 3.03Å; T1187-E1189 PolarHBondContact OG1-N 3.25Å; T1187-E1189 PolarHBondContact OG1-O 2.72Å; E1189-G1191 PolarHBondContact O-N 2.71Å; E1189-L1192 HydrophobicContact CB-CB 4Å; E1189-L1192 HydrophobicContact CB-CD2 4.24Å; E1189-L1192 HydrophobicContact CG-CB 4.18Å; E1189-L1192 WeakPolarHBondContact O-CB 3.48Å; E1189-L1192 PolarHBondContact O-N 2.75Å; E1189-L1192 WeakPolarHBondContact OE2-CD2 2.73Å; E1189-R1209 IonicContact OE1-CZ 2.86Å; E1189-R1209 IonicContact OE1-NH1 3.37Å; E1189-R1209 PolarHBondContact OE1-NH1 3.38Å; E1189-R1209 IonicContact OE1-NH2 3.62Å; E1189-R1209 PolarHBondContact OE1-NH2 2.9Å |
| 1190 | R | 73.1 | Confident | 75 | Confident | 157 Ų | 157 | 44 Ų | 44 | 59% | 0.592 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 134.8 | 179 | -88 | -175.4 | 166.6 | 170.7 | -2.9 | 111.4 | L1192 E1257 | R1190-L1192 PolarHBondContact O-N 2.62Å; R1190-E1257 WeakPolarHBondContact CD-OE2 3.38Å; R1190-E1257 IonicContact CZ-OE1 3.02Å; R1190-E1257 IonicContact NH1-OE1 3.65Å; R1190-E1257 PolarHBondContact NH1-OE1 3.43Å; R1190-E1257 IonicContact NH1-OE2 3.45Å; R1190-E1257 PolarHBondContact NH1-OE2 3.49Å |
| 1191 | G | 79.6 | Confident | 76.1 | Confident | 5 Ų | 5 | 46.3 Ų | 46.3 | 5% | 0.052 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | -11.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | E1189 V1210 D1253 | E1189-G1191 PolarHBondContact O-N 2.71Å; G1191-V1210 PolarHBondContact O-N 3.48Å; G1191-D1253 PolarHBondContact N-OD2 3.18Å |
| 1192 | L | 85.7 | Confident | 76.5 | Confident | 12 Ų | 12 | 48.4 Ų | 48.4 | 6% | 0.063 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 124.6 | 174.9 | -167.4 | 69.3 | 0 | 0 | 0 | 110.2 | T1187 E1189 R1190 K1207 R1209 | T1187-L1192 WeakPolarHBondContact CB-O 3.22Å; T1187-L1192 WeakPolarHBondContact CG2-O 3.43Å; T1187-L1192 PolarHBondContact N-O 3.48Å; T1187-L1192 PolarHBondContact OG1-O 2.62Å; E1189-L1192 HydrophobicContact CB-CB 4Å; E1189-L1192 HydrophobicContact CB-CD2 4.24Å; E1189-L1192 HydrophobicContact CG-CB 4.18Å; E1189-L1192 WeakPolarHBondContact O-CB 3.48Å; E1189-L1192 PolarHBondContact O-N 2.75Å; E1189-L1192 WeakPolarHBondContact OE2-CD2 2.73Å; R1190-L1192 PolarHBondContact O-N 2.62Å; L1192-K1207 HydrophobicContact CD1-CB 4.08Å; L1192-K1207 HydrophobicContact CD2-CD 4.17Å; L1192-K1207 HydrophobicContact CG-CD 4.33Å; L1192-R1209 HydrophobicContact CD1-CB 4.08Å |
| 1193 | F | 87.9 | Confident | 77.2 | Confident | 15 Ų | 15 | 49.3 Ų | 49.3 | 7% | 0.066 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 157.1 | 177.6 | -63.7 | -90.5 | 0 | 0 | 0 | 110.1 | V1184 S1185 P1186 K1207 L1208 V1210 P1282 L1283 | V1184-F1193 HydrophobicContact CG1-CB 3.64Å; V1184-F1193 HydrophobicContact CG1-CD1 3.77Å; V1184-F1193 HydrophobicContact CG1-CG 3.82Å; S1185-F1193 CarbonylContact O-C 3.58Å; S1185-F1193 WeakPolarHBondContact O-CA 3.47Å; P1186-F1193 HydrophobicContact CB-CD1 4.33Å; P1186-F1193 HydrophobicContact CB-CE1 4.19Å; F1193-K1207 CarbonylContact O-C 3.51Å; F1193-K1207 WeakPolarHBondContact O-CA 3.46Å; F1193-L1208 HydrophobicContact CB-CB 4.4Å; F1193-L1208 PolarHBondContact N-O 3.13Å; F1193-L1208 PolarHBondContact O-N 3.39Å; F1193-V1210 HydrophobicContact CD2-CB 4.22Å; F1193-V1210 HydrophobicContact CD2-CG2 3.61Å; F1193-V1210 HydrophobicContact CE2-CB 4.1Å; F1193-V1210 HydrophobicContact CE2-CG2 3.88Å; F1193-P1282 HydrophobicContact CE2-CB 3.76Å; F1193-P1282 HydrophobicContact CZ-CB 3.88Å; F1193-L1283 HydrophobicContact CD1-CD1 4.25Å; F1193-L1283 HydrophobicContact CE1-CB 3.9Å; F1193-L1283 HydrophobicContact CE1-CD1 3.98Å; F1193-L1283 HydrophobicContact CE1-CG 4.45Å; F1193-L1283 HydrophobicContact CZ-CB 4.03Å |
| 1194 | T | 86.6 | Confident | 77.3 | Confident | 22 Ų | 22 | 52.5 Ų | 52.5 | 14% | 0.135 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 113.2 | 163.4 | -60 | 0 | 0 | 0 | 0 | 107.4 | S1185 W1196 V1206 K1207 | S1185-T1194 PolarHBondContact N-O 2.98Å; S1185-T1194 PolarHBondContact O-N 3.36Å; T1194-W1196 HydrophobicContact CG2-CZ2 4.34Å; T1194-V1206 WeakPolarHBondContact CA-O 3.04Å; T1194-K1207 PolarHBondContact OG1-NZ 3.39Å |
| 1195 | L | 86.2 | Confident | 77.5 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 112.1 | 171.9 | 176.6 | 68.1 | 0 | 0 | 0 | 108.4 | N1182 V1184 F1197 S1205 V1206 L1208 L1314 | N1182-L1195 HydrophobicContact CB-CD1 4.22Å; V1184-L1195 HydrophobicContact CG2-CD1 3.84Å; L1195-F1197 HydrophobicContact CD2-CD1 4.35Å; L1195-F1197 HydrophobicContact CG-CD1 4.18Å; L1195-S1205 WeakPolarHBondContact O-CA 3.41Å; L1195-V1206 HydrophobicContact CB-CG2 4.08Å; L1195-V1206 HydrophobicContact CD2-CG2 4.32Å; L1195-V1206 PolarHBondContact N-O 2.88Å; L1195-V1206 PolarHBondContact O-N 3.16Å; L1195-L1208 HydrophobicContact CB-CB 3.99Å; L1195-L1208 HydrophobicContact CB-CD2 4.17Å; L1195-L1208 HydrophobicContact CD2-CD2 4.38Å; L1195-L1314 HydrophobicContact CD2-CD1 3.68Å |
| 1196 | W | 85.5 | Confident | 77.7 | Confident | 26 Ų | 26 | 55.2 Ų | 55.2 | 10% | 0.098 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 130.1 | 166.2 | -60.2 | 87.5 | 0 | 0 | 0 | 108.6 | N1182 N1183 T1194 L1203 Q1204 L1480 P1482 | N1182-W1196 CarbonylContact C-O 3.49Å; N1182-W1196 WeakPolarHBondContact CA-O 3.47Å; N1183-W1196 HydrophobicContact CB-CB 4.1Å; N1183-W1196 PolarHBondContact N-O 3.29Å; N1183-W1196 PolarHBondContact O-N 3.04Å; T1194-W1196 HydrophobicContact CG2-CZ2 4.34Å; W1196-L1203 HydrophobicContact CB-CD1 4.44Å; W1196-L1203 HydrophobicContact CE3-CG 4.31Å; W1196-Q1204 WeakPolarHBondContact CA-O 3.43Å; W1196-L1480 WeakPolarHBondContact CH2-O 3.25Å; W1196-P1482 HydrophobicContact CB-CB 4.32Å; W1196-P1482 HydrophobicContact CB-CG 4.18Å; W1196-P1482 HydrophobicContact CD2-CB 4.13Å; W1196-P1482 HydrophobicContact CD2-CG 3.69Å; W1196-P1482 HydrophobicContact CE3-CG 3.74Å; W1196-P1482 HydrophobicContact CG-CB 3.95Å; W1196-P1482 HydrophobicContact CG-CG 3.89Å; W1196-P1482 HydrophobicContact CZ3-CG 4.39Å |
| 1197 | F | 79.4 | Confident | 78.3 | Confident | 21 Ų | 21 | 56.6 Ų | 56.6 | 9% | 0.092 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 153.6 | 179.1 | 59.1 | -84.9 | 0 | 0 | 0 | 109.8 | N1182 L1195 I1199 Q1204 V1206 | N1182-F1197 VanDerWaalsContact OD1-CB 3.24Å; N1182-F1197 WeakPolarHBondContact OD1-CB 3.25Å; L1195-F1197 HydrophobicContact CD2-CD1 4.35Å; L1195-F1197 HydrophobicContact CG-CD1 4.18Å; F1197-I1199 HydrophobicContact CD2-CD1 4.02Å; F1197-I1199 HydrophobicContact CD2-CG1 3.79Å; F1197-I1199 HydrophobicContact CE2-CD1 3.65Å; F1197-I1199 HydrophobicContact CE2-CG1 3.91Å; F1197-Q1204 HydrophobicContact CE1-CB 4.23Å; F1197-Q1204 HydrophobicContact CE2-CB 3.93Å; F1197-Q1204 HydrophobicContact CZ-CB 3.71Å; F1197-Q1204 PolarHBondContact N-O 3.26Å; F1197-Q1204 PolarHBondContact O-N 2.78Å; F1197-V1206 HydrophobicContact CD1-CG2 4.04Å; F1197-V1206 HydrophobicContact CE1-CB 4.02Å; F1197-V1206 HydrophobicContact CE1-CG1 3.6Å; F1197-V1206 HydrophobicContact CE1-CG2 3.46Å; F1197-V1206 VanDerWaalsContact CE1-CG2 3.46Å; F1197-V1206 HydrophobicContact CZ-CG1 3.91Å; F1197-V1206 HydrophobicContact CZ-CG2 4.44Å |
| 1198 | M | 73.6 | Confident | 78.8 | Confident | 11 Ų | 11 | 54.8 Ų | 54.8 | 5% | 0.054 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 121.7 | -178.4 | -168.4 | 167 | -57.5 | 0 | 0 | 109.8 | P1180 D1202 L1203 I1363 | P1180-M1198 HydrophobicContact CB-CB 4.47Å; P1180-M1198 WeakPolarHBondContact CB-O 3.48Å; M1198-D1202 CarbonylContact C-O 3.58Å; M1198-D1202 WeakPolarHBondContact CA-O 3.46Å; M1198-L1203 HydrophobicContact CE-CB 4.22Å; M1198-L1203 HydrophobicContact CE-CD1 3.98Å; M1198-I1363 HydrophobicContact CE-CD1 3.32Å; M1198-I1363 HydrophobicContact CE-CG1 3.66Å; M1198-I1363 HydrophobicContact SD-CD1 3.62Å; M1198-I1363 HydrophobicContact SD-CG1 3.94Å |
| 1199 | I | 69 | Low | 79.6 | Confident | 88 Ų | 88 | 52.8 Ų | 52.8 | 45% | 0.451 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 112.9 | 172.7 | -57.1 | -178.1 | 0 | 0 | 0 | 107.2 | F1197 N1201 D1202 | F1197-I1199 HydrophobicContact CD2-CD1 4.02Å; F1197-I1199 HydrophobicContact CD2-CG1 3.79Å; F1197-I1199 HydrophobicContact CE2-CD1 3.65Å; F1197-I1199 HydrophobicContact CE2-CG1 3.91Å; I1199-N1201 PolarHBondContact O-N 2.97Å; I1199-D1202 PolarHBondContact N-O 3.41Å; I1199-D1202 PolarHBondContact O-N 2.97Å |
| 1200 | L | 65.9 | Low | 80.2 | Confident | 148 Ų | 148 | 48.6 Ų | 48.6 | 78% | 0.775 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | -102.2 | -173.3 | -57.6 | 168.2 | 0 | 0 | 0 | 110.9 | ||
| 1201 | N | 67.2 | Low | 80.8 | Confident | 99 Ų | 99 | 42 Ų | 42 | 53% | 0.529 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118 | 14.9 | 179.7 | -65.6 | -18.1 | 0 | 0 | 0 | 112.4 | I1199 P1362 P1457 | I1199-N1201 PolarHBondContact O-N 2.97Å; N1201-P1362 HydrophobicContact CB-CB 4.2Å; N1201-P1457 WeakPolarHBondContact O-CG 3.27Å |
| 1202 | D | 67.3 | Low | 81.3 | Confident | 83 Ų | 83 | 43.3 Ų | 43.3 | 44% | 0.444 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 124.3 | 179.7 | -167 | 22 | 0 | 0 | 0 | 110.6 | M1198 I1199 Q1204 | M1198-D1202 CarbonylContact C-O 3.58Å; M1198-D1202 WeakPolarHBondContact CA-O 3.46Å; I1199-D1202 PolarHBondContact N-O 3.41Å; I1199-D1202 PolarHBondContact O-N 2.97Å; D1202-Q1204 PolarHBondContact OD2-NE2 2.81Å |
| 1203 | L | 78.5 | Confident | 81.4 | Confident | 27 Ų | 27 | 43 Ų | 43 | 14% | 0.141 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 114.1 | 178.7 | 174.7 | 71.8 | 0 | 0 | 0 | 108.6 | W1196 M1198 P1457 T1458 P1482 | W1196-L1203 HydrophobicContact CB-CD1 4.44Å; W1196-L1203 HydrophobicContact CE3-CG 4.31Å; M1198-L1203 HydrophobicContact CE-CB 4.22Å; M1198-L1203 HydrophobicContact CE-CD1 3.98Å; L1203-P1457 HydrophobicContact CB-CB 3.67Å; L1203-P1457 HydrophobicContact CB-CG 4.23Å; L1203-P1457 HydrophobicContact CD2-CB 4.37Å; L1203-T1458 WeakPolarHBondContact CD2-O 3.34Å; L1203-P1482 HydrophobicContact CD1-CG 4.37Å; L1203-P1482 HydrophobicContact CD2-CG 3.82Å |
| 1204 | Q | 78.5 | Confident | 81.6 | Confident | 72 Ų | 72 | 42.6 Ų | 42.6 | 34% | 0.336 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 160.3 | -179.8 | -62.9 | -167.1 | 3.4 | 0 | 0 | 111 | W1196 F1197 D1202 | W1196-Q1204 WeakPolarHBondContact CA-O 3.43Å; F1197-Q1204 HydrophobicContact CE1-CB 4.23Å; F1197-Q1204 HydrophobicContact CE2-CB 3.93Å; F1197-Q1204 HydrophobicContact CZ-CB 3.71Å; F1197-Q1204 PolarHBondContact N-O 3.26Å; F1197-Q1204 PolarHBondContact O-N 2.78Å; D1202-Q1204 PolarHBondContact OD2-NE2 2.81Å |
| 1205 | S | 82.8 | Confident | 81.8 | Confident | 61 Ų | 61 | 41.6 Ų | 41.6 | 43% | 0.427 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 133.2 | 175.4 | 68.3 | 0 | 0 | 0 | 0 | 110.4 | L1195 | L1195-S1205 WeakPolarHBondContact O-CA 3.41Å |
| 1206 | V | 84.6 | Confident | 82 | Confident | 14 Ų | 14 | 41.6 Ų | 41.6 | 9% | 0.085 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 157.7 | 173.4 | -68.6 | 0 | 0 | 0 | 0 | 110.3 | T1194 L1195 F1197 I1305 F1309 | T1194-V1206 WeakPolarHBondContact CA-O 3.04Å; L1195-V1206 HydrophobicContact CB-CG2 4.08Å; L1195-V1206 HydrophobicContact CD2-CG2 4.32Å; L1195-V1206 PolarHBondContact N-O 2.88Å; L1195-V1206 PolarHBondContact O-N 3.16Å; F1197-V1206 HydrophobicContact CD1-CG2 4.04Å; F1197-V1206 HydrophobicContact CE1-CB 4.02Å; F1197-V1206 HydrophobicContact CE1-CG1 3.6Å; F1197-V1206 HydrophobicContact CE1-CG2 3.46Å; F1197-V1206 VanDerWaalsContact CE1-CG2 3.46Å; F1197-V1206 HydrophobicContact CZ-CG1 3.91Å; F1197-V1206 HydrophobicContact CZ-CG2 4.44Å; V1206-I1305 HydrophobicContact CG1-CG2 4.03Å; V1206-F1309 HydrophobicContact CB-CD2 4.04Å; V1206-F1309 HydrophobicContact CB-CE2 4.35Å; V1206-F1309 HydrophobicContact CG1-CD2 4.37Å; V1206-F1309 HydrophobicContact CG1-CE2 4.19Å; V1206-F1309 HydrophobicContact CG2-CD2 3.6Å; V1206-F1309 HydrophobicContact CG2-CE2 4.01Å |
| 1207 | K | 87.9 | Confident | 82.2 | Confident | 82 Ų | 82 | 40.3 Ų | 40.3 | 36% | 0.357 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 136.4 | 170.2 | -65.8 | -61.2 | -178 | -177.2 | 0 | 109.5 | L1192 F1193 T1194 D1307 E1308 F1309 | L1192-K1207 HydrophobicContact CD1-CB 4.08Å; L1192-K1207 HydrophobicContact CD2-CD 4.17Å; L1192-K1207 HydrophobicContact CG-CD 4.33Å; F1193-K1207 CarbonylContact O-C 3.51Å; F1193-K1207 WeakPolarHBondContact O-CA 3.46Å; T1194-K1207 PolarHBondContact OG1-NZ 3.39Å; K1207-D1307 PolarHBondContact N-O 3.47Å; K1207-E1308 HydrophobicContact CB-CB 4.19Å; K1207-E1308 HydrophobicContact CB-CG 3.96Å; K1207-E1308 CarbonylContact O-C 3.55Å; K1207-E1308 WeakPolarHBondContact O-CA 3.44Å; K1207-F1309 PolarHBondContact O-N 3.25Å |
| 1208 | L | 87.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 107 | -179.9 | -177.9 | 67.7 | 0 | 0 | 0 | 108.8 | F1193 L1195 V1210 V1286 L1290 F1309 L1314 | F1193-L1208 HydrophobicContact CB-CB 4.4Å; F1193-L1208 PolarHBondContact N-O 3.13Å; F1193-L1208 PolarHBondContact O-N 3.39Å; L1195-L1208 HydrophobicContact CB-CB 3.99Å; L1195-L1208 HydrophobicContact CB-CD2 4.17Å; L1195-L1208 HydrophobicContact CD2-CD2 4.38Å; L1208-V1210 HydrophobicContact CD2-CG2 4.48Å; L1208-V1210 HydrophobicContact CG-CG2 4.34Å; L1208-V1286 HydrophobicContact CD2-CG2 3.6Å; L1208-L1290 HydrophobicContact CD2-CD1 3.98Å; L1208-F1309 CarbonylContact C-O 3.54Å; L1208-F1309 WeakPolarHBondContact CA-O 3.36Å; L1208-F1309 HydrophobicContact CD1-CB 3.92Å; L1208-L1314 HydrophobicContact CD1-CD1 3.93Å |
| 1209 | R | 88.3 | Confident | 83.2 | Confident | 72 Ų | 72 | 46.1 Ų | 46.1 | 27% | 0.272 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 120.3 | 175.4 | -167.6 | 173.1 | -60.6 | -82.5 | -6.2 | 109.6 | E1189 L1192 E1308 F1309 S1311 | E1189-R1209 IonicContact OE1-CZ 2.86Å; E1189-R1209 IonicContact OE1-NH1 3.37Å; E1189-R1209 PolarHBondContact OE1-NH1 3.38Å; E1189-R1209 IonicContact OE1-NH2 3.62Å; E1189-R1209 PolarHBondContact OE1-NH2 2.9Å; L1192-R1209 HydrophobicContact CD1-CB 4.08Å; R1209-E1308 IonicContact CZ-OE1 2.74Å; R1209-E1308 IonicContact CZ-OE2 2.96Å; R1209-E1308 IonicContact NE-OE1 3.8Å; R1209-E1308 PolarHBondContact NE-OE1 3.35Å; R1209-E1308 IonicContact NE-OE2 3.22Å; R1209-E1308 IonicContact NH2-OE1 3.67Å; R1209-E1308 PolarHBondContact NH2-OE1 2.95Å; R1209-E1308 IonicContact NH2-OE2 3.98Å; R1209-E1308 PolarHBondContact NH2-OE2 2.78Å; R1209-F1309 PolarHBondContact N-O 2.73Å; R1209-S1311 PolarHBondContact O-N 3.4Å |
| 1210 | V | 88.1 | Confident | 83.9 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | trans | -105.8 | 109.2 | 177.5 | -177.1 | 0 | 0 | 0 | 0 | 107.6 | G1191 F1193 L1208 P1282 V1286 | G1191-V1210 PolarHBondContact O-N 3.48Å; F1193-V1210 HydrophobicContact CD2-CB 4.22Å; F1193-V1210 HydrophobicContact CD2-CG2 3.61Å; F1193-V1210 HydrophobicContact CE2-CB 4.1Å; F1193-V1210 HydrophobicContact CE2-CG2 3.88Å; L1208-V1210 HydrophobicContact CD2-CG2 4.48Å; L1208-V1210 HydrophobicContact CG-CG2 4.34Å; V1210-P1282 HydrophobicContact CB-CB 4.4Å; V1210-P1282 HydrophobicContact CG1-CB 4.12Å; V1210-V1286 HydrophobicContact CG2-CB 4Å; V1210-V1286 HydrophobicContact CG2-CG1 4.48Å; V1210-V1286 HydrophobicContact CG2-CG2 4.22Å | ||
| 1211 | P | 86.9 | Confident | 84.9 | Confident | 20 Ų | 20 | 42.3 Ų | 42.3 | 13% | 0.13 | 21% | 0.214 | C | C | . | . | trans | -69.4 | 151.4 | 177.8 | 29.5 | -33.1 | 0 | 0 | 0 | 110.8 | T1213 V1251 S1311 | P1211-T1213 PolarHBondContact O-N 2.82Å; P1211-V1251 CarbonylContact C-O 3.5Å; P1211-V1251 WeakPolarHBondContact CA-O 3.33Å; P1211-V1251 WeakPolarHBondContact CB-O 3.5Å; P1211-S1311 WeakPolarHBondContact CD-OG 3.34Å | ||
| 1212 | R | 89 | Confident | 85.7 | Confident | 31 Ų | 31 | 39.7 Ų | 39.7 | 12% | 0.117 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 123.1 | 167.7 | -171.4 | 66.8 | 57.4 | 164.9 | 5.9 | 108.2 | F1214 K1250 V1251 D1253 F1256 V1280 | R1212-F1214 HydrophobicContact CG-CD1 4.28Å; R1212-K1250 WeakPolarHBondContact O-CA 3.4Å; R1212-V1251 HydrophobicContact CB-CG2 4.24Å; R1212-V1251 PolarHBondContact N-O 3.04Å; R1212-V1251 PolarHBondContact O-N 2.8Å; R1212-D1253 IonicContact CZ-OD1 3.44Å; R1212-D1253 IonicContact NE-OD1 3.58Å; R1212-D1253 PolarHBondContact NE-OD1 2.75Å; R1212-D1253 IonicContact NH2-OD1 2.68Å; R1212-D1253 PolarHBondContact NH2-OD1 3.37Å; R1212-D1253 IonicContact NH2-OD2 3.35Å; R1212-D1253 PolarHBondContact NH2-OD2 2.8Å; R1212-F1256 HydrophobicContact CB-CB 3.96Å; R1212-F1256 HydrophobicContact CB-CD1 4.45Å; R1212-F1256 HydrophobicContact CB-CG 4.14Å; R1212-F1256 HydrophobicContact CG-CB 4.05Å; R1212-F1256 HydrophobicContact CG-CD1 3.74Å; R1212-F1256 HydrophobicContact CG-CD2 3.93Å; R1212-F1256 HydrophobicContact CG-CE1 4.09Å; R1212-F1256 HydrophobicContact CG-CE2 4.27Å; R1212-F1256 HydrophobicContact CG-CG 3.64Å; R1212-F1256 HydrophobicContact CG-CZ 4.34Å; R1212-V1280 PolarHBondContact NH1-O 3.46Å |
| 1213 | T | 89.4 | Confident | 86.5 | Confident | 6 Ų | 6 | 41 Ų | 41 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 126 | 172.9 | -48.9 | 0 | 0 | 0 | 0 | 108.9 | P1211 Y1215 E1248 Y1249 K1250 R1285 | P1211-T1213 PolarHBondContact O-N 2.82Å; T1213-Y1215 HydrophobicContact CG2-CE2 4.32Å; T1213-E1248 HydrophobicContact CG2-CG 3.84Å; T1213-Y1249 VanDerWaalsContact CA-O 3.25Å; T1213-Y1249 WeakPolarHBondContact CA-O 3.4Å; T1213-K1250 HydrophobicContact CG2-CG 4.04Å; T1213-R1285 PolarHBondContact O-NH2 3.32Å; T1213-R1285 VanDerWaalsContact O-NH2 3.08Å |
| 1214 | F | 90.3 | Very high | 86.8 | Confident | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 164.5 | 174.9 | 63.6 | -90.3 | 0 | 0 | 0 | 109.6 | R1212 V1216 Y1249 V1251 F1256 L1263 I1275 Y1276 T1278 | R1212-F1214 HydrophobicContact CG-CD1 4.28Å; F1214-V1216 HydrophobicContact CD2-CG2 3.99Å; F1214-V1216 HydrophobicContact CE2-CG2 3.78Å; F1214-Y1249 HydrophobicContact CD2-CD2 4.45Å; F1214-Y1249 HydrophobicContact CD2-CG 4.26Å; F1214-Y1249 HydrophobicContact CE1-CG 4.42Å; F1214-Y1249 AromaticContact CE2-CD1 3.97Å; F1214-Y1249 HydrophobicContact CE2-CD1 3.97Å; F1214-Y1249 AromaticContact CE2-CD2 3.97Å; F1214-Y1249 HydrophobicContact CE2-CD2 3.97Å; F1214-Y1249 AromaticContact CE2-CG 3.58Å; F1214-Y1249 HydrophobicContact CE2-CG 3.58Å; F1214-Y1249 VanDerWaalsContact CZ-CB 3.42Å; F1214-Y1249 AromaticContact CZ-CD1 3.75Å; F1214-Y1249 HydrophobicContact CZ-CD1 3.75Å; F1214-Y1249 AromaticContact CZ-CG 3.68Å; F1214-Y1249 HydrophobicContact CZ-CG 3.68Å; F1214-Y1249 PolarHBondContact N-O 2.93Å; F1214-Y1249 PolarHBondContact O-N 3.41Å; F1214-V1251 HydrophobicContact CE1-CG2 3.82Å; F1214-F1256 AromaticContact CD1-CD2 3.92Å; F1214-F1256 HydrophobicContact CD1-CD2 3.92Å; F1214-F1256 AromaticContact CD1-CE2 3.9Å; F1214-F1256 HydrophobicContact CD1-CE2 3.9Å; F1214-F1256 AromaticContact CE1-CD2 3.72Å; F1214-F1256 HydrophobicContact CE1-CD2 3.72Å; F1214-F1256 HydrophobicContact CE1-CE2 4.03Å; F1214-F1256 HydrophobicContact CG-CE2 4.47Å; F1214-L1263 HydrophobicContact CE2-CD2 4.16Å; F1214-L1263 HydrophobicContact CZ-CD1 4.05Å; F1214-L1263 HydrophobicContact CZ-CD2 4.3Å; F1214-I1275 HydrophobicContact CD2-CG2 3.84Å; F1214-I1275 HydrophobicContact CE2-CG2 4.47Å; F1214-Y1276 WeakPolarHBondContact CA-O 3.38Å; F1214-Y1276 WeakPolarHBondContact CB-O 3.3Å; F1214-T1278 HydrophobicContact CB-CG2 4.42Å |
| 1215 | Y | 92.3 | Very high | 87 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 132.3 | -175.7 | -59.2 | -98.7 | 0 | 0 | 0 | 111.1 | T1213 V1233 R1235 Y1247 E1248 I1275 Y1276 E1277 I1559 | T1213-Y1215 HydrophobicContact CG2-CE2 4.32Å; Y1215-V1233 HydrophobicContact CD1-CG2 3.91Å; Y1215-V1233 HydrophobicContact CE1-CG2 3.96Å; Y1215-R1235 HydrophobicContact CE1-CG 4.14Å; Y1215-Y1247 CarbonylContact C-O 3.56Å; Y1215-Y1247 VanDerWaalsContact CA-O 3.29Å; Y1215-Y1247 WeakPolarHBondContact CA-O 3.49Å; Y1215-E1248 HydrophobicContact CD1-CB 3.81Å; Y1215-E1248 HydrophobicContact CD1-CG 4.2Å; Y1215-E1248 HydrophobicContact CE1-CB 3.64Å; Y1215-E1248 HydrophobicContact CE1-CG 3.7Å; Y1215-E1248 PolarHBondContact OH-OE1 3.06Å; Y1215-I1275 CarbonylContact O-C 3.59Å; Y1215-I1275 VanDerWaalsContact O-CA 3.28Å; Y1215-I1275 WeakPolarHBondContact O-CA 3.32Å; Y1215-Y1276 PolarHBondContact N-O 3.37Å; Y1215-Y1276 PolarHBondContact O-N 2.94Å; Y1215-E1277 HydrophobicContact CD2-CB 4.16Å; Y1215-E1277 HydrophobicContact CD2-CG 4.24Å; Y1215-E1277 HydrophobicContact CE2-CB 4.4Å; Y1215-E1277 VanDerWaalsContact CE2-CD 3.45Å; Y1215-E1277 HydrophobicContact CE2-CG 4.23Å; Y1215-E1277 WeakPolarHBondContact CE2-OE2 3.19Å; Y1215-I1559 HydrophobicContact CD1-CD1 4.09Å; Y1215-I1559 HydrophobicContact CD2-CD1 4Å; Y1215-I1559 HydrophobicContact CD2-CG1 4.48Å; Y1215-I1559 HydrophobicContact CD2-CG2 4.21Å; Y1215-I1559 HydrophobicContact CG-CD1 3.73Å |
| 1216 | V | 89 | Confident | 87 | Confident | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 117.9 | 177.2 | -175 | 0 | 0 | 0 | 0 | 108.4 | F1214 Q1218 Y1247 Y1249 I1272 I1275 | F1214-V1216 HydrophobicContact CD2-CG2 3.99Å; F1214-V1216 HydrophobicContact CE2-CG2 3.78Å; V1216-Q1218 HydrophobicContact CG1-CG 3.74Å; V1216-Y1247 PolarHBondContact N-O 3.39Å; V1216-Y1247 PolarHBondContact O-N 2.9Å; V1216-Y1249 HydrophobicContact CB-CD2 4.27Å; V1216-Y1249 HydrophobicContact CB-CE2 3.74Å; V1216-Y1249 HydrophobicContact CG2-CD2 3.69Å; V1216-Y1249 HydrophobicContact CG2-CE2 3.4Å; V1216-I1272 HydrophobicContact CG1-CD1 4.44Å; V1216-I1272 HydrophobicContact CG1-CG2 4.08Å; V1216-I1275 HydrophobicContact CG1-CG1 4.29Å; V1216-I1275 HydrophobicContact CG2-CD1 4.4Å; V1216-I1275 HydrophobicContact CG2-CG1 4.22Å; V1216-I1275 HydrophobicContact CG2-CG2 4.18Å |
| 1217 | N | 90.6 | Very high | 87 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 121.9 | 170.7 | -166.3 | 28.6 | 0 | 0 | 0 | 108.5 | L1237 A1242 Q1244 F1245 L1246 E1273 G1274 Y1276 | N1217-L1237 WeakPolarHBondContact ND2-CD1 3.26Å; N1217-A1242 PolarHBondContact ND2-O 2.83Å; N1217-Q1244 PolarHBondContact OD1-N 3.42Å; N1217-F1245 PolarHBondContact OD1-N 2.86Å; N1217-L1246 HydrophobicContact CB-CD1 4Å; N1217-E1273 HydrophobicContact CB-CB 4.27Å; N1217-E1273 PolarHBondContact ND2-OE2 3.48Å; N1217-E1273 WeakPolarHBondContact O-CA 3.28Å; N1217-E1273 WeakPolarHBondContact O-CB 3.41Å; N1217-E1273 PolarHBondContact O-N 3.13Å; N1217-G1274 PolarHBondContact N-O 3.26Å; N1217-G1274 PolarHBondContact O-N 3.28Å; N1217-Y1276 HydrophobicContact CB-CE2 4.04Å |
| 1218 | Q | 87.7 | Confident | 86.6 | Confident | 18 Ų | 18 | 49.7 Ų | 49.7 | 8% | 0.084 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 153.1 | -179.6 | -59 | -172.5 | -54.1 | 0 | 0 | 110.8 | V1216 Q1244 F1245 D1271 | V1216-Q1218 HydrophobicContact CG1-CG 3.74Å; Q1218-Q1244 WeakPolarHBondContact O-CB 3.2Å; Q1218-F1245 PolarHBondContact N-O 3.43Å; Q1218-F1245 WeakPolarHBondContact O-CD2 3.33Å; Q1218-F1245 PolarHBondContact O-N 3.35Å; Q1218-F1245 VanDerWaalsContact O-N 3.16Å; Q1218-D1271 CarbonylContact C-O 3.54Å; Q1218-D1271 WeakPolarHBondContact CA-O 3.22Å |
| 1219 | R | 85.4 | Confident | 86.3 | Confident | 136 Ų | 136 | 54.1 Ų | 54.1 | 51% | 0.513 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -80.8 | -22.3 | 175.7 | -63.2 | 179 | 178.1 | 173.6 | -5.7 | 113.6 | Q1244 F1245 L1270 D1271 E1273 | R1219-Q1244 VanDerWaalsContact CA-OE1 3.27Å; R1219-F1245 WeakPolarHBondContact O-CE2 3.28Å; R1219-L1270 WeakPolarHBondContact CD-O 3.31Å; R1219-L1270 PolarHBondContact NH1-O 3.28Å; R1219-D1271 PolarHBondContact N-O 2.68Å; R1219-E1273 HydrophobicContact CG-CB 4.42Å |
| 1220 | V | 85.3 | Confident | 86.3 | Confident | 91 Ų | 91 | 53.3 Ų | 53.3 | 55% | 0.552 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -121.8 | 134.4 | -178.2 | -173.4 | 0 | 0 | 0 | 0 | 108 | ||
| 1221 | P | 86.5 | Confident | 86.5 | Confident | 64 Ų | 64 | 58.9 Ų | 58.9 | 42% | 0.416 | 32% | 0.32 | S | S | . | . | trans | -68.4 | 143.6 | 178 | 27.4 | -31.2 | 0 | 0 | 0 | 110.6 | F1245 | P1221-F1245 HydrophobicContact CB-CD1 3.68Å; P1221-F1245 HydrophobicContact CB-CD2 4.34Å; P1221-F1245 HydrophobicContact CB-CE1 3.76Å; P1221-F1245 HydrophobicContact CB-CE2 4.42Å; P1221-F1245 HydrophobicContact CB-CG 3.98Å; P1221-F1245 HydrophobicContact CB-CZ 4.14Å; P1221-F1245 VanDerWaalsContact CD-CE2 3.49Å; P1221-F1245 HydrophobicContact CG-CD1 4.43Å; P1221-F1245 HydrophobicContact CG-CE1 4.07Å; P1221-F1245 HydrophobicContact CG-CE2 4.3Å; P1221-F1245 HydrophobicContact CG-CZ 3.99Å | ||
| 1222 | K | 83.5 | Confident | 86.7 | Confident | 44 Ų | 44 | 61.2 Ų | 61.2 | 19% | 0.191 | 33% | 0.328 | C | S | . | . | trans | -67.1 | 153.8 | 167.1 | -68.2 | -174.5 | 172.1 | -171.2 | 0 | 111.1 | V1224 Y1230 Y1247 Y1249 | K1222-V1224 PolarHBondContact O-N 2.83Å; K1222-Y1230 HydrophobicContact CD-CD2 3.93Å; K1222-Y1230 HydrophobicContact CD-CE1 4.45Å; K1222-Y1230 HydrophobicContact CD-CE2 3.36Å; K1222-Y1247 HydrophobicContact CB-CE1 4.24Å; K1222-Y1247 HydrophobicContact CB-CE2 4.43Å; K1222-Y1247 HydrophobicContact CD-CD1 4.37Å; K1222-Y1247 HydrophobicContact CD-CD2 4.41Å; K1222-Y1247 HydrophobicContact CD-CE1 4.19Å; K1222-Y1247 HydrophobicContact CD-CE2 4.24Å; K1222-Y1247 HydrophobicContact CD-CG 4.49Å; K1222-Y1247 HydrophobicContact CG-CE1 4.36Å; K1222-Y1247 HydrophobicContact CG-CE2 3.96Å; K1222-Y1247 PolarHBondContact N-OH 3.48Å; K1222-Y1249 PolarHBondContact NZ-OH 3.3Å | ||
| 1223 | A | 83.9 | Confident | 86.8 | Confident | 112 Ų | 112 | 60.8 Ų | 60.8 | 93% | 0.926 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -59.8 | -29.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1224 | V | 84.4 | Confident | 86.8 | Confident | 89 Ų | 89 | 68 Ų | 68 | 54% | 0.539 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -127.3 | 130.3 | 176.4 | -167.5 | 0 | 0 | 0 | 0 | 108.7 | K1222 S1226 | K1222-V1224 PolarHBondContact O-N 2.83Å; V1224-S1226 WeakPolarHBondContact CG1-O 3.48Å; V1224-S1226 PolarHBondContact O-N 3.03Å |
| 1225 | D | 83.7 | Confident | 86.9 | Confident | 79 Ų | 79 | 70.7 Ų | 70.7 | 42% | 0.422 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -69.7 | -15.2 | -177.6 | -86.5 | -12.4 | 0 | 0 | 0 | 113.2 | K1232 | D1225-K1232 HydrophobicContact CB-CB 4.23Å; D1225-K1232 HydrophobicContact CB-CD 4.22Å; D1225-K1232 VanDerWaalsContact CG-CD 3.46Å; D1225-K1232 WeakPolarHBondContact O-CB 2.99Å; D1225-K1232 PolarHBondContact O-N 3.15Å; D1225-K1232 WeakPolarHBondContact OD1-CD 3.39Å; D1225-K1232 IonicContact OD1-NZ 3.55Å; D1225-K1232 PolarHBondContact OD1-NZ 3.41Å; D1225-K1232 IonicContact OD2-NZ 2.64Å; D1225-K1232 PolarHBondContact OD2-NZ 3.48Å |
| 1226 | S | 83.2 | Confident | 86.8 | Confident | 65 Ų | 65 | 73.5 Ų | 73.5 | 46% | 0.455 | 39% | 0.391 | S | S | . | . | B | Isolated β-bridge | trans | -145.4 | 121.5 | 175.8 | -60.3 | 0 | 0 | 0 | 0 | 110.5 | V1224 Y1230 | V1224-S1226 WeakPolarHBondContact CG1-O 3.48Å; V1224-S1226 PolarHBondContact O-N 3.03Å; S1226-Y1230 CarbonylContact C-O 3.53Å; S1226-Y1230 WeakPolarHBondContact CA-O 3.43Å |
| 1227 | G | 83.1 | Confident | 86.8 | Confident | 33 Ų | 33 | 73.4 Ų | 73.4 | 34% | 0.34 | 39% | 0.391 | S | S | . | . | trans | -111.2 | -170.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F1229 Y1230 | G1227-F1229 PolarHBondContact O-N 3.29Å; G1227-Y1230 PolarHBondContact N-O 2.82Å | ||
| 1228 | E | 80.1 | Confident | 86.5 | Confident | 171 Ų | 171 | 73.6 Ų | 73.6 | 80% | 0.799 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -58.6 | -42.9 | -177.7 | -173.9 | 179.1 | 179.8 | 0 | 0 | 113.2 | ||
| 1229 | F | 82.5 | Confident | 86.1 | Confident | 94 Ų | 94 | 73.9 Ų | 73.9 | 41% | 0.412 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -111.4 | -4.5 | -175.8 | -59.5 | -66.6 | 0 | 0 | 0 | 114.5 | G1227 Y1249 K1250 V1251 | G1227-F1229 PolarHBondContact O-N 3.29Å; F1229-Y1249 CarbonylContact O-C 3.43Å; F1229-Y1249 VanDerWaalsContact O-CA 3.29Å; F1229-Y1249 WeakPolarHBondContact O-CA 3.31Å; F1229-K1250 PolarHBondContact O-N 3.26Å; F1229-V1251 HydrophobicContact CB-CG1 3.83Å; F1229-V1251 HydrophobicContact CD1-CG1 4.01Å; F1229-V1251 HydrophobicContact CG-CG1 4.03Å |
| 1230 | Y | 88.2 | Confident | 85.6 | Confident | 55 Ų | 55 | 70.4 Ų | 70.4 | 22% | 0.216 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 148.8 | -173.9 | 69 | -91.8 | 0 | 0 | 0 | 113.1 | K1222 S1226 G1227 Y1247 E1248 Y1249 | K1222-Y1230 HydrophobicContact CD-CD2 3.93Å; K1222-Y1230 HydrophobicContact CD-CE1 4.45Å; K1222-Y1230 HydrophobicContact CD-CE2 3.36Å; S1226-Y1230 CarbonylContact C-O 3.53Å; S1226-Y1230 WeakPolarHBondContact CA-O 3.43Å; G1227-Y1230 PolarHBondContact N-O 2.82Å; Y1230-Y1247 AromaticContact CD2-CD1 3.85Å; Y1230-Y1247 HydrophobicContact CD2-CD1 3.85Å; Y1230-Y1247 HydrophobicContact CD2-CE1 4.48Å; Y1230-Y1247 HydrophobicContact CD2-CG 4.44Å; Y1230-Y1247 HydrophobicContact CE2-CD1 4.32Å; Y1230-E1248 CarbonylContact C-O 3.56Å; Y1230-E1248 WeakPolarHBondContact CA-O 3.34Å; Y1230-Y1249 HydrophobicContact CD1-CE1 4.29Å; Y1230-Y1249 HydrophobicContact CG-CE1 4.37Å |
| 1231 | K | 91.7 | Very high | 85.3 | Confident | 118 Ų | 118 | 69.5 Ų | 69.5 | 51% | 0.513 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 136.5 | 177.7 | 173.2 | 177.2 | 178 | -176.1 | 0 | 110.3 | V1233 Y1247 E1248 | K1231-V1233 HydrophobicContact CG-CG1 4.44Å; K1231-V1233 PolarHBondContact O-N 2.98Å; K1231-Y1247 CarbonylContact O-C 3.33Å; K1231-Y1247 WeakPolarHBondContact O-CA 3.41Å; K1231-E1248 PolarHBondContact N-O 3.27Å; K1231-E1248 PolarHBondContact O-N 3.46Å |
| 1232 | K | 90.9 | Very high | 85 | Confident | 68 Ų | 68 | 69.8 Ų | 69.8 | 30% | 0.296 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 131.7 | 172 | -170.7 | 173.5 | 175.9 | -177.8 | 0 | 110.9 | D1225 L1246 Y1247 | D1225-K1232 HydrophobicContact CB-CB 4.23Å; D1225-K1232 HydrophobicContact CB-CD 4.22Å; D1225-K1232 VanDerWaalsContact CG-CD 3.46Å; D1225-K1232 WeakPolarHBondContact O-CB 2.99Å; D1225-K1232 PolarHBondContact O-N 3.15Å; D1225-K1232 WeakPolarHBondContact OD1-CD 3.39Å; D1225-K1232 IonicContact OD1-NZ 3.55Å; D1225-K1232 PolarHBondContact OD1-NZ 3.41Å; D1225-K1232 IonicContact OD2-NZ 2.64Å; D1225-K1232 PolarHBondContact OD2-NZ 3.48Å; K1232-L1246 WeakPolarHBondContact CA-O 3.48Å; K1232-Y1247 HydrophobicContact CB-CD1 3.84Å; K1232-Y1247 HydrophobicContact CB-CE1 3.69Å; K1232-Y1247 HydrophobicContact CD-CE1 4.32Å; K1232-Y1247 HydrophobicContact CG-CD1 4.45Å; K1232-Y1247 HydrophobicContact CG-CE1 4.12Å |
| 1233 | V | 91.3 | Very high | 85.1 | Confident | 23 Ų | 23 | 69.9 Ų | 69.9 | 14% | 0.139 | 39% | 0.394 | C | S | . | . | trans | -137.5 | 153.5 | -176.1 | -65.9 | 0 | 0 | 0 | 0 | 111.4 | Y1215 K1231 R1235 L1246 E1248 | Y1215-V1233 HydrophobicContact CD1-CG2 3.91Å; Y1215-V1233 HydrophobicContact CE1-CG2 3.96Å; K1231-V1233 HydrophobicContact CG-CG1 4.44Å; K1231-V1233 PolarHBondContact O-N 2.98Å; V1233-R1235 HydrophobicContact CB-CG 4.43Å; V1233-R1235 HydrophobicContact CG2-CG 4.1Å; V1233-L1246 HydrophobicContact CG2-CD2 3.99Å; V1233-L1246 HydrophobicContact CG2-CG 4.04Å; V1233-L1246 PolarHBondContact N-O 3.15Å; V1233-E1248 HydrophobicContact CB-CB 4.49Å; V1233-E1248 HydrophobicContact CG1-CB 3.75Å; V1233-E1248 HydrophobicContact CG2-CB 3.9Å | ||
| 1234 | N | 89.1 | Confident | 85.2 | Confident | 158 Ų | 158 | 69.1 Ų | 69.1 | 85% | 0.845 | 37% | 0.371 | S | S | * | . | trans | -105.5 | 105.9 | 171.4 | -67.5 | -16.9 | 0 | 0 | 0 | 108.4 | ||||
| 1235 | R | 91.8 | Very high | 85.4 | Confident | 62 Ų | 62 | 67.7 Ų | 67.7 | 23% | 0.234 | 36% | 0.357 | C | S | . | . | trans | -132.5 | 156.6 | 177.1 | -62.5 | -71.6 | -168.1 | 150.5 | -0.4 | 109.9 | Y1215 V1233 L1246 G1557 I1559 | Y1215-R1235 HydrophobicContact CE1-CG 4.14Å; V1233-R1235 HydrophobicContact CB-CG 4.43Å; V1233-R1235 HydrophobicContact CG2-CG 4.1Å; R1235-L1246 HydrophobicContact CB-CD2 3.74Å; R1235-L1246 HydrophobicContact CG-CD2 4.33Å; R1235-G1557 CarbonylContact C-O 3.43Å; R1235-G1557 WeakPolarHBondContact CA-O 3.34Å; R1235-G1557 WeakPolarHBondContact CB-O 3.31Å; R1235-G1557 VanDerWaalsContact CD-O 3.28Å; R1235-G1557 WeakPolarHBondContact CD-O 3.34Å; R1235-I1559 HydrophobicContact CB-CD1 4.09Å; R1235-I1559 HydrophobicContact CB-CG1 3.7Å; R1235-I1559 HydrophobicContact CG-CG1 4.4Å | ||
| 1236 | I | 90.1 | Very high | 85.8 | Confident | 60 Ų | 60 | 64.1 Ų | 64.1 | 31% | 0.308 | 34% | 0.338 | S | S | . | . | B | Isolated β-bridge | trans | -85.8 | 117.5 | 177.2 | -57.4 | 171.8 | 0 | 0 | 0 | 108.2 | G1557 I1559 E1662 | I1236-G1557 PolarHBondContact N-O 2.92Å; I1236-I1559 PolarHBondContact O-N 3.12Å; I1236-E1662 HydrophobicContact CD1-CB 4.14Å; I1236-E1662 HydrophobicContact CD1-CG 3.87Å |
| 1237 | L | 89.4 | Confident | 86.3 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 154 | 175.7 | -59.8 | -175.3 | 0 | 0 | 0 | 110.9 | N1217 H1239 S1240 R1241 A1243 L1246 Y1276 I1559 | N1217-L1237 WeakPolarHBondContact ND2-CD1 3.26Å; L1237-H1239 PolarHBondContact O-N 3.04Å; L1237-S1240 PolarHBondContact O-N 2.97Å; L1237-S1240 VanDerWaalsContact O-N 3.09Å; L1237-R1241 HydrophobicContact CB-CB 4.05Å; L1237-R1241 HydrophobicContact CD1-CB 4.18Å; L1237-A1243 HydrophobicContact CD1-CB 4.22Å; L1237-A1243 HydrophobicContact CG-CB 4.17Å; L1237-L1246 HydrophobicContact CD2-CD1 3.95Å; L1237-L1246 HydrophobicContact CD2-CD2 4.13Å; L1237-Y1276 HydrophobicContact CD1-CE2 4.33Å; L1237-Y1276 HydrophobicContact CD2-CD2 4.28Å; L1237-Y1276 HydrophobicContact CD2-CE2 4.11Å; L1237-I1559 HydrophobicContact CD2-CD1 3.41Å; L1237-I1559 VanDerWaalsContact CD2-CD1 3.41Å; L1237-I1559 HydrophobicContact CD2-CG1 4.31Å |
| 1238 | P | 85.3 | Confident | 86.7 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.019 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -52.1 | 141.7 | 173.9 | -24.2 | 34.2 | 0 | 0 | 0 | 111.5 | S1240 R1241 Y1276 W1561 L1570 | P1238-S1240 PolarHBondContact O-N 3.02Å; P1238-R1241 PolarHBondContact O-N 2.78Å; P1238-Y1276 HydrophobicContact CG-CD1 4.12Å; P1238-Y1276 HydrophobicContact CG-CE1 4.32Å; P1238-W1561 HydrophobicContact CB-CE3 4.01Å; P1238-W1561 HydrophobicContact CG-CB 4.44Å; P1238-W1561 HydrophobicContact CG-CE3 4.03Å; P1238-L1570 HydrophobicContact CB-CD2 3.74Å; P1238-L1570 HydrophobicContact CG-CD2 4.41Å |
| 1239 | H | 78.6 | Confident | 87.2 | Confident | 25 Ų | 25 | 54.5 Ų | 54.5 | 12% | 0.116 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | 57.9 | 24.6 | -176.7 | -50.8 | 164.6 | 0 | 0 | 0 | 114.4 | L1237 R1241 D1577 R1579 I1658 D1706 | L1237-H1239 PolarHBondContact O-N 3.04Å; H1239-R1241 VanDerWaalsContact C-N 3.26Å; H1239-R1241 PolarHBondContact O-N 2.71Å; H1239-D1577 IonicContact CE1-OD2 2.89Å; H1239-R1579 PolarHBondContact CE1-NH2 2.98Å; H1239-R1579 VanDerWaalsContact CE1-NH2 3.31Å; H1239-R1579 PolarHBondContact ND1-NH2 3.45Å; H1239-I1658 HydrophobicContact CB-CD1 3.7Å; H1239-D1706 IonicContact CD2-OD2 2.62Å; H1239-D1706 PolarHBondContact CD2-OD2 3.4Å; H1239-D1706 IonicContact CE1-OD1 3.75Å; H1239-D1706 IonicContact CE1-OD2 3.25Å; H1239-D1706 IonicContact NE2-OD1 2.68Å; H1239-D1706 PolarHBondContact NE2-OD1 3.25Å; H1239-D1706 IonicContact NE2-OD2 2.65Å; H1239-D1706 PolarHBondContact NE2-OD2 2.95Å |
| 1240 | S | 75.5 | Confident | 87.4 | Confident | 63 Ų | 63 | 53.5 Ų | 53.5 | 44% | 0.441 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | 57.8 | 33.2 | 178.2 | -64.5 | 0 | 0 | 0 | 0 | 114.4 | L1237 P1238 T1661 | L1237-S1240 PolarHBondContact O-N 2.97Å; L1237-S1240 VanDerWaalsContact O-N 3.09Å; P1238-S1240 PolarHBondContact O-N 3.02Å; S1240-T1661 WeakPolarHBondContact OG-CB 3.28Å; S1240-T1661 WeakPolarHBondContact OG-CG2 3.32Å |
| 1241 | R | 79 | Confident | 87.4 | Confident | 71 Ų | 71 | 51.6 Ų | 51.6 | 27% | 0.268 | 27% | 0.265 | S | S | . | . | trans | -63.2 | 153.6 | 172.3 | -69.8 | -174.4 | -179.1 | 164.3 | 2.9 | 112 | L1237 P1238 H1239 A1243 L1570 K1573 | L1237-R1241 HydrophobicContact CB-CB 4.05Å; L1237-R1241 HydrophobicContact CD1-CB 4.18Å; P1238-R1241 PolarHBondContact O-N 2.78Å; H1239-R1241 VanDerWaalsContact C-N 3.26Å; H1239-R1241 PolarHBondContact O-N 2.71Å; R1241-A1243 PolarHBondContact O-N 2.81Å; R1241-L1570 PolarHBondContact NH1-O 3.26Å; R1241-K1573 VanDerWaalsContact NH1-CG 3.31Å | ||
| 1242 | A | 79.3 | Confident | 87 | Confident | 71 Ų | 71 | 48.6 Ų | 48.6 | 59% | 0.587 | 26% | 0.258 | S | S | * | . | trans | -69 | 114.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | N1217 Q1244 | N1217-A1242 PolarHBondContact ND2-O 2.83Å; A1242-Q1244 PolarHBondContact O-N 3.11Å | ||
| 1243 | A | 84.8 | Confident | 86.5 | Confident | 46 Ų | 46 | 45.9 Ų | 45.9 | 38% | 0.38 | 25% | 0.247 | S | C | . | . | trans | -74.9 | 110.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | L1237 R1241 L1246 | L1237-A1243 HydrophobicContact CD1-CB 4.22Å; L1237-A1243 HydrophobicContact CG-CB 4.17Å; R1241-A1243 PolarHBondContact O-N 2.81Å; A1243-L1246 HydrophobicContact CB-CB 4.28Å; A1243-L1246 HydrophobicContact CB-CD2 4.43Å | ||
| 1244 | Q | 86.3 | Confident | 85.9 | Confident | 96 Ų | 96 | 47.3 Ų | 47.3 | 45% | 0.449 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -88 | -74.7 | -177.8 | -65.7 | -176.8 | 11.7 | 0 | 0 | 109.7 | N1217 Q1218 R1219 A1242 | N1217-Q1244 PolarHBondContact OD1-N 3.42Å; Q1218-Q1244 WeakPolarHBondContact O-CB 3.2Å; R1219-Q1244 VanDerWaalsContact CA-OE1 3.27Å; A1242-Q1244 PolarHBondContact O-N 3.11Å |
| 1245 | F | 89.3 | Confident | 85.4 | Confident | 58 Ų | 58 | 42.7 Ų | 42.7 | 25% | 0.254 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 88 | 170.8 | -55.5 | -73.2 | 0 | 0 | 0 | 108.3 | N1217 Q1218 R1219 P1221 Y1247 | N1217-F1245 PolarHBondContact OD1-N 2.86Å; Q1218-F1245 PolarHBondContact N-O 3.43Å; Q1218-F1245 WeakPolarHBondContact O-CD2 3.33Å; Q1218-F1245 PolarHBondContact O-N 3.35Å; Q1218-F1245 VanDerWaalsContact O-N 3.16Å; R1219-F1245 WeakPolarHBondContact O-CE2 3.28Å; P1221-F1245 HydrophobicContact CB-CD1 3.68Å; P1221-F1245 HydrophobicContact CB-CD2 4.34Å; P1221-F1245 HydrophobicContact CB-CE1 3.76Å; P1221-F1245 HydrophobicContact CB-CE2 4.42Å; P1221-F1245 HydrophobicContact CB-CG 3.98Å; P1221-F1245 HydrophobicContact CB-CZ 4.14Å; P1221-F1245 VanDerWaalsContact CD-CE2 3.49Å; P1221-F1245 HydrophobicContact CG-CD1 4.43Å; P1221-F1245 HydrophobicContact CG-CE1 4.07Å; P1221-F1245 HydrophobicContact CG-CE2 4.3Å; P1221-F1245 HydrophobicContact CG-CZ 3.99Å; F1245-Y1247 HydrophobicContact CB-CE2 3.76Å; F1245-Y1247 VanDerWaalsContact O-CD2 3.29Å; F1245-Y1247 WeakPolarHBondContact O-CD2 3.32Å; F1245-Y1247 WeakPolarHBondContact O-CE2 3.34Å |
| 1246 | L | 92.6 | Very high | 84.9 | Confident | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 123.9 | -175.2 | -176.3 | 70.6 | 0 | 0 | 0 | 110.9 | N1217 K1232 V1233 R1235 L1237 A1243 I1559 | N1217-L1246 HydrophobicContact CB-CD1 4Å; K1232-L1246 WeakPolarHBondContact CA-O 3.48Å; V1233-L1246 HydrophobicContact CG2-CD2 3.99Å; V1233-L1246 HydrophobicContact CG2-CG 4.04Å; V1233-L1246 PolarHBondContact N-O 3.15Å; R1235-L1246 HydrophobicContact CB-CD2 3.74Å; R1235-L1246 HydrophobicContact CG-CD2 4.33Å; L1237-L1246 HydrophobicContact CD2-CD1 3.95Å; L1237-L1246 HydrophobicContact CD2-CD2 4.13Å; A1243-L1246 HydrophobicContact CB-CB 4.28Å; A1243-L1246 HydrophobicContact CB-CD2 4.43Å; L1246-I1559 HydrophobicContact CD1-CD1 4.26Å; L1246-I1559 HydrophobicContact CD2-CD1 3.93Å |
| 1247 | Y | 92.3 | Very high | 84.3 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 125.4 | 178.8 | -61.8 | -85.9 | 0 | 0 | 0 | 110.4 | Y1215 V1216 K1222 Y1230 K1231 K1232 F1245 | Y1215-Y1247 CarbonylContact C-O 3.56Å; Y1215-Y1247 VanDerWaalsContact CA-O 3.29Å; Y1215-Y1247 WeakPolarHBondContact CA-O 3.49Å; V1216-Y1247 PolarHBondContact N-O 3.39Å; V1216-Y1247 PolarHBondContact O-N 2.9Å; K1222-Y1247 HydrophobicContact CB-CE1 4.24Å; K1222-Y1247 HydrophobicContact CB-CE2 4.43Å; K1222-Y1247 HydrophobicContact CD-CD1 4.37Å; K1222-Y1247 HydrophobicContact CD-CD2 4.41Å; K1222-Y1247 HydrophobicContact CD-CE1 4.19Å; K1222-Y1247 HydrophobicContact CD-CE2 4.24Å; K1222-Y1247 HydrophobicContact CD-CG 4.49Å; K1222-Y1247 HydrophobicContact CG-CE1 4.36Å; K1222-Y1247 HydrophobicContact CG-CE2 3.96Å; K1222-Y1247 PolarHBondContact N-OH 3.48Å; Y1230-Y1247 AromaticContact CD2-CD1 3.85Å; Y1230-Y1247 HydrophobicContact CD2-CD1 3.85Å; Y1230-Y1247 HydrophobicContact CD2-CE1 4.48Å; Y1230-Y1247 HydrophobicContact CD2-CG 4.44Å; Y1230-Y1247 HydrophobicContact CE2-CD1 4.32Å; K1231-Y1247 CarbonylContact O-C 3.33Å; K1231-Y1247 WeakPolarHBondContact O-CA 3.41Å; K1232-Y1247 HydrophobicContact CB-CD1 3.84Å; K1232-Y1247 HydrophobicContact CB-CE1 3.69Å; K1232-Y1247 HydrophobicContact CD-CE1 4.32Å; K1232-Y1247 HydrophobicContact CG-CD1 4.45Å; K1232-Y1247 HydrophobicContact CG-CE1 4.12Å; F1245-Y1247 HydrophobicContact CB-CE2 3.76Å; F1245-Y1247 VanDerWaalsContact O-CD2 3.29Å; F1245-Y1247 WeakPolarHBondContact O-CD2 3.32Å; F1245-Y1247 WeakPolarHBondContact O-CE2 3.34Å |
| 1248 | E | 93.3 | Very high | 83.6 | Confident | 31 Ų | 31 | 49.6 Ų | 49.6 | 15% | 0.145 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 125.2 | 167.2 | -179.3 | -176.2 | -117 | 0 | 0 | 108.4 | T1213 Y1215 Y1230 K1231 V1233 K1250 | T1213-E1248 HydrophobicContact CG2-CG 3.84Å; Y1215-E1248 HydrophobicContact CD1-CB 3.81Å; Y1215-E1248 HydrophobicContact CD1-CG 4.2Å; Y1215-E1248 HydrophobicContact CE1-CB 3.64Å; Y1215-E1248 HydrophobicContact CE1-CG 3.7Å; Y1215-E1248 PolarHBondContact OH-OE1 3.06Å; Y1230-E1248 CarbonylContact C-O 3.56Å; Y1230-E1248 WeakPolarHBondContact CA-O 3.34Å; K1231-E1248 PolarHBondContact N-O 3.27Å; K1231-E1248 PolarHBondContact O-N 3.46Å; V1233-E1248 HydrophobicContact CB-CB 4.49Å; V1233-E1248 HydrophobicContact CG1-CB 3.75Å; V1233-E1248 HydrophobicContact CG2-CB 3.9Å; E1248-K1250 HydrophobicContact CG-CG 4.36Å |
| 1249 | Y | 89.4 | Confident | 83.1 | Confident | 37 Ų | 37 | 55 Ų | 55 | 15% | 0.145 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 131.8 | 171.3 | -77.6 | -112.9 | 0 | 0 | 0 | 109.4 | T1213 F1214 V1216 K1222 F1229 Y1230 | T1213-Y1249 VanDerWaalsContact CA-O 3.25Å; T1213-Y1249 WeakPolarHBondContact CA-O 3.4Å; F1214-Y1249 HydrophobicContact CD2-CD2 4.45Å; F1214-Y1249 HydrophobicContact CD2-CG 4.26Å; F1214-Y1249 HydrophobicContact CE1-CG 4.42Å; F1214-Y1249 AromaticContact CE2-CD1 3.97Å; F1214-Y1249 HydrophobicContact CE2-CD1 3.97Å; F1214-Y1249 AromaticContact CE2-CD2 3.97Å; F1214-Y1249 HydrophobicContact CE2-CD2 3.97Å; F1214-Y1249 AromaticContact CE2-CG 3.58Å; F1214-Y1249 HydrophobicContact CE2-CG 3.58Å; F1214-Y1249 VanDerWaalsContact CZ-CB 3.42Å; F1214-Y1249 AromaticContact CZ-CD1 3.75Å; F1214-Y1249 HydrophobicContact CZ-CD1 3.75Å; F1214-Y1249 AromaticContact CZ-CG 3.68Å; F1214-Y1249 HydrophobicContact CZ-CG 3.68Å; F1214-Y1249 PolarHBondContact N-O 2.93Å; F1214-Y1249 PolarHBondContact O-N 3.41Å; V1216-Y1249 HydrophobicContact CB-CD2 4.27Å; V1216-Y1249 HydrophobicContact CB-CE2 3.74Å; V1216-Y1249 HydrophobicContact CG2-CD2 3.69Å; V1216-Y1249 HydrophobicContact CG2-CE2 3.4Å; K1222-Y1249 PolarHBondContact NZ-OH 3.3Å; F1229-Y1249 CarbonylContact O-C 3.43Å; F1229-Y1249 VanDerWaalsContact O-CA 3.29Å; F1229-Y1249 WeakPolarHBondContact O-CA 3.31Å; Y1230-Y1249 HydrophobicContact CD1-CE1 4.29Å; Y1230-Y1249 HydrophobicContact CG-CE1 4.37Å |
| 1250 | K | 87.8 | Confident | 82.8 | Confident | 72 Ų | 72 | 56.4 Ų | 56.4 | 31% | 0.313 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 108.7 | 172.3 | -72.3 | -172.3 | 174.4 | -166.1 | 0 | 108.7 | R1212 T1213 F1229 E1248 D1312 | R1212-K1250 WeakPolarHBondContact O-CA 3.4Å; T1213-K1250 HydrophobicContact CG2-CG 4.04Å; F1229-K1250 PolarHBondContact O-N 3.26Å; E1248-K1250 HydrophobicContact CG-CG 4.36Å; K1250-D1312 IonicContact NZ-OD1 3.7Å; K1250-D1312 PolarHBondContact NZ-OD1 2.87Å; K1250-D1312 IonicContact NZ-OD2 3.37Å; K1250-D1312 PolarHBondContact NZ-OD2 3.34Å |
| 1251 | V | 87.9 | Confident | 82.5 | Confident | 15 Ų | 15 | 61.3 Ų | 61.3 | 9% | 0.091 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 154.1 | -178.5 | -65.8 | 0 | 0 | 0 | 0 | 110.4 | P1211 R1212 F1214 F1229 D1253 F1256 | P1211-V1251 CarbonylContact C-O 3.5Å; P1211-V1251 WeakPolarHBondContact CA-O 3.33Å; P1211-V1251 WeakPolarHBondContact CB-O 3.5Å; R1212-V1251 HydrophobicContact CB-CG2 4.24Å; R1212-V1251 PolarHBondContact N-O 3.04Å; R1212-V1251 PolarHBondContact O-N 2.8Å; F1214-V1251 HydrophobicContact CE1-CG2 3.82Å; F1229-V1251 HydrophobicContact CB-CG1 3.83Å; F1229-V1251 HydrophobicContact CD1-CG1 4.01Å; F1229-V1251 HydrophobicContact CG-CG1 4.03Å; V1251-D1253 PolarHBondContact O-N 2.74Å; V1251-F1256 HydrophobicContact CG2-CB 3.9Å |
| 1252 | P | 83.4 | Confident | 82 | Confident | 56 Ų | 56 | 59.5 Ų | 59.5 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | trans | -55.1 | 139.8 | 168.1 | -22.7 | 33.5 | 0 | 0 | 0 | 110.9 | A1254 T1255 F1256 | P1252-A1254 VanDerWaalsContact C-N 3.27Å; P1252-A1254 PolarHBondContact O-N 2.83Å; P1252-T1255 WeakPolarHBondContact O-CB 3.27Å; P1252-T1255 PolarHBondContact O-N 3.3Å; P1252-F1256 PolarHBondContact O-N 3.03Å; P1252-F1256 VanDerWaalsContact O-N 3.08Å | ||
| 1253 | D | 81.1 | Confident | 81.4 | Confident | 10 Ų | 10 | 57.3 Ų | 57.3 | 5% | 0.053 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.5 | -37.1 | -174.5 | -158.7 | 41 | 0 | 0 | 0 | 112.6 | G1191 R1212 V1251 T1255 F1256 E1257 | G1191-D1253 PolarHBondContact N-OD2 3.18Å; R1212-D1253 IonicContact CZ-OD1 3.44Å; R1212-D1253 IonicContact NE-OD1 3.58Å; R1212-D1253 PolarHBondContact NE-OD1 2.75Å; R1212-D1253 IonicContact NH2-OD1 2.68Å; R1212-D1253 PolarHBondContact NH2-OD1 3.37Å; R1212-D1253 IonicContact NH2-OD2 3.35Å; R1212-D1253 PolarHBondContact NH2-OD2 2.8Å; V1251-D1253 PolarHBondContact O-N 2.74Å; D1253-T1255 VanDerWaalsContact C-N 3.32Å; D1253-T1255 PolarHBondContact O-N 3.49Å; D1253-F1256 WeakPolarHBondContact O-CB 3.37Å; D1253-F1256 PolarHBondContact O-N 3Å; D1253-E1257 PolarHBondContact O-N 2.91Å; D1253-E1257 VanDerWaalsContact O-N 3.07Å |
| 1254 | A | 77.6 | Confident | 80.5 | Confident | 54 Ų | 54 | 59 Ų | 59 | 45% | 0.446 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.8 | -36.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | P1252 H1258 | P1252-A1254 VanDerWaalsContact C-N 3.27Å; P1252-A1254 PolarHBondContact O-N 2.83Å; A1254-H1258 PolarHBondContact O-N 3.3Å |
| 1255 | T | 79.1 | Confident | 79.6 | Confident | 60 Ų | 60 | 58 Ų | 58 | 37% | 0.368 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.6 | -40.9 | 176 | -51.1 | 0 | 0 | 0 | 0 | 110.6 | P1252 D1253 E1257 H1258 H1259 | P1252-T1255 WeakPolarHBondContact O-CB 3.27Å; P1252-T1255 PolarHBondContact O-N 3.3Å; D1253-T1255 VanDerWaalsContact C-N 3.32Å; D1253-T1255 PolarHBondContact O-N 3.49Å; T1255-E1257 PolarHBondContact O-N 3.26Å; T1255-H1258 PolarHBondContact O-N 3.32Å; T1255-H1259 PolarHBondContact O-CD2 3.28Å; T1255-H1259 VanDerWaalsContact O-CD2 3.23Å; T1255-H1259 PolarHBondContact O-N 3.3Å |
| 1256 | F | 81.8 | Confident | 78.2 | Confident | 12 Ų | 12 | 60.6 Ų | 60.6 | 5% | 0.053 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.6 | -45.3 | 175.6 | 176.9 | -106.4 | 0 | 0 | 0 | 112 | R1212 F1214 V1251 P1252 D1253 H1258 H1259 I1260 L1263 | R1212-F1256 HydrophobicContact CB-CB 3.96Å; R1212-F1256 HydrophobicContact CB-CD1 4.45Å; R1212-F1256 HydrophobicContact CB-CG 4.14Å; R1212-F1256 HydrophobicContact CG-CB 4.05Å; R1212-F1256 HydrophobicContact CG-CD1 3.74Å; R1212-F1256 HydrophobicContact CG-CD2 3.93Å; R1212-F1256 HydrophobicContact CG-CE1 4.09Å; R1212-F1256 HydrophobicContact CG-CE2 4.27Å; R1212-F1256 HydrophobicContact CG-CG 3.64Å; R1212-F1256 HydrophobicContact CG-CZ 4.34Å; F1214-F1256 AromaticContact CD1-CD2 3.92Å; F1214-F1256 HydrophobicContact CD1-CD2 3.92Å; F1214-F1256 AromaticContact CD1-CE2 3.9Å; F1214-F1256 HydrophobicContact CD1-CE2 3.9Å; F1214-F1256 AromaticContact CE1-CD2 3.72Å; F1214-F1256 HydrophobicContact CE1-CD2 3.72Å; F1214-F1256 HydrophobicContact CE1-CE2 4.03Å; F1214-F1256 HydrophobicContact CG-CE2 4.47Å; V1251-F1256 HydrophobicContact CG2-CB 3.9Å; P1252-F1256 PolarHBondContact O-N 3.03Å; P1252-F1256 VanDerWaalsContact O-N 3.08Å; D1253-F1256 WeakPolarHBondContact O-CB 3.37Å; D1253-F1256 PolarHBondContact O-N 3Å; F1256-H1258 PolarHBondContact O-N 3.06Å; F1256-H1259 CarbonylContact O-C 3.4Å; F1256-H1259 PolarHBondContact O-N 3.4Å; F1256-H1259 VanDerWaalsContact O-N 3.14Å; F1256-I1260 HydrophobicContact CD1-CD1 4.42Å; F1256-I1260 HydrophobicContact CE1-CD1 3.51Å; F1256-I1260 HydrophobicContact CE1-CG1 4.09Å; F1256-I1260 HydrophobicContact CE2-CG1 4.32Å; F1256-I1260 HydrophobicContact CZ-CD1 3.57Å; F1256-I1260 HydrophobicContact CZ-CG1 3.81Å; F1256-I1260 WeakPolarHBondContact O-CB 3.4Å; F1256-I1260 PolarHBondContact O-N 2.85Å; F1256-L1263 HydrophobicContact CD2-CD1 4.03Å; F1256-L1263 HydrophobicContact CE2-CD1 4Å |
| 1257 | E | 76.3 | Confident | 76.5 | Confident | 94 Ų | 94 | 63.3 Ų | 63.3 | 44% | 0.439 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 179.2 | -178 | 166.6 | -163.7 | 0 | 0 | 112.7 | R1190 D1253 T1255 H1259 I1260 | R1190-E1257 WeakPolarHBondContact CD-OE2 3.38Å; R1190-E1257 IonicContact CZ-OE1 3.02Å; R1190-E1257 IonicContact NH1-OE1 3.65Å; R1190-E1257 PolarHBondContact NH1-OE1 3.43Å; R1190-E1257 IonicContact NH1-OE2 3.45Å; R1190-E1257 PolarHBondContact NH1-OE2 3.49Å; D1253-E1257 PolarHBondContact O-N 2.91Å; D1253-E1257 VanDerWaalsContact O-N 3.07Å; T1255-E1257 PolarHBondContact O-N 3.26Å; E1257-H1259 PolarHBondContact O-N 3.34Å; E1257-I1260 WeakPolarHBondContact O-CG2 3.27Å |
| 1258 | H | 75.4 | Confident | 75 | Confident | 164 Ų | 164 | 68.2 Ų | 68.2 | 76% | 0.759 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.7 | -27.5 | 177 | -107 | 73.6 | 0 | 0 | 0 | 113.6 | A1254 T1255 F1256 | A1254-H1258 PolarHBondContact O-N 3.3Å; T1255-H1258 PolarHBondContact O-N 3.32Å; F1256-H1258 PolarHBondContact O-N 3.06Å |
| 1259 | H | 73.8 | Confident | 73.6 | Confident | 116 Ų | 116 | 67.9 Ų | 67.9 | 54% | 0.537 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -109.1 | -1.4 | -174.6 | -70.1 | -70.2 | 0 | 0 | 0 | 114.1 | T1255 F1256 E1257 E1261 G1262 L1263 | T1255-H1259 PolarHBondContact O-CD2 3.28Å; T1255-H1259 VanDerWaalsContact O-CD2 3.23Å; T1255-H1259 PolarHBondContact O-N 3.3Å; F1256-H1259 CarbonylContact O-C 3.4Å; F1256-H1259 PolarHBondContact O-N 3.4Å; F1256-H1259 VanDerWaalsContact O-N 3.14Å; E1257-H1259 PolarHBondContact O-N 3.34Å; H1259-E1261 VanDerWaalsContact C-N 3.34Å; H1259-E1261 PolarHBondContact O-N 3.17Å; H1259-G1262 CarbonylContact O-C 3.57Å; H1259-G1262 WeakPolarHBondContact O-CA 3.42Å; H1259-G1262 PolarHBondContact O-N 3.39Å; H1259-L1263 PolarHBondContact O-N 2.96Å |
| 1260 | I | 72.7 | Confident | 72.8 | Confident | 54 Ų | 54 | 73.5 Ų | 73.5 | 28% | 0.277 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.3 | -37.4 | -175 | -160.8 | 176 | 0 | 0 | 0 | 112.3 | F1256 E1257 G1262 L1263 N1264 | F1256-I1260 HydrophobicContact CD1-CD1 4.42Å; F1256-I1260 HydrophobicContact CE1-CD1 3.51Å; F1256-I1260 HydrophobicContact CE1-CG1 4.09Å; F1256-I1260 HydrophobicContact CE2-CG1 4.32Å; F1256-I1260 HydrophobicContact CZ-CD1 3.57Å; F1256-I1260 HydrophobicContact CZ-CG1 3.81Å; F1256-I1260 WeakPolarHBondContact O-CB 3.4Å; F1256-I1260 PolarHBondContact O-N 2.85Å; E1257-I1260 WeakPolarHBondContact O-CG2 3.27Å; I1260-G1262 VanDerWaalsContact C-N 3.3Å; I1260-G1262 PolarHBondContact O-N 3.48Å; I1260-L1263 PolarHBondContact O-N 2.91Å; I1260-N1264 WeakPolarHBondContact O-CB 3.29Å; I1260-N1264 VanDerWaalsContact O-CG 3.24Å; I1260-N1264 PolarHBondContact O-N 3.4Å; I1260-N1264 PolarHBondContact O-ND2 2.82Å |
| 1261 | E | 70.2 | Confident | 72.5 | Confident | 166 Ų | 166 | 73.7 Ų | 73.7 | 78% | 0.776 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -64.7 | -37.6 | 174.4 | -68.2 | -169.5 | 166.8 | 0 | 0 | 111.3 | H1259 N1264 S1265 | H1259-E1261 VanDerWaalsContact C-N 3.34Å; H1259-E1261 PolarHBondContact O-N 3.17Å; E1261-N1264 PolarHBondContact O-N 3.11Å; E1261-S1265 PolarHBondContact O-N 2.82Å |
| 1262 | G | 67.5 | Low | 72.2 | Confident | 33 Ų | 33 | 74 Ų | 74 | 34% | 0.34 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65 | -47.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | H1259 I1260 N1264 S1265 E1266 | H1259-G1262 CarbonylContact O-C 3.57Å; H1259-G1262 WeakPolarHBondContact O-CA 3.42Å; H1259-G1262 PolarHBondContact O-N 3.39Å; I1260-G1262 VanDerWaalsContact C-N 3.3Å; I1260-G1262 PolarHBondContact O-N 3.48Å; G1262-N1264 VanDerWaalsContact C-N 3.32Å; G1262-N1264 PolarHBondContact O-N 2.81Å; G1262-S1265 CarbonylContact O-C 3.53Å; G1262-S1265 WeakPolarHBondContact O-CA 3.26Å; G1262-S1265 WeakPolarHBondContact O-CB 3.35Å; G1262-S1265 PolarHBondContact O-N 2.76Å; G1262-S1265 PolarHBondContact O-OG 3.35Å; G1262-E1266 PolarHBondContact O-N 3.02Å |
| 1263 | L | 66.3 | Low | 72.2 | Confident | 25 Ų | 25 | 73 Ų | 73 | 13% | 0.131 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -59.2 | -40.7 | 174.7 | -83.2 | 157.8 | 0 | 0 | 0 | 112.2 | F1214 F1256 H1259 I1260 S1265 E1266 M1267 I1275 | F1214-L1263 HydrophobicContact CE2-CD2 4.16Å; F1214-L1263 HydrophobicContact CZ-CD1 4.05Å; F1214-L1263 HydrophobicContact CZ-CD2 4.3Å; F1256-L1263 HydrophobicContact CD2-CD1 4.03Å; F1256-L1263 HydrophobicContact CE2-CD1 4Å; H1259-L1263 PolarHBondContact O-N 2.96Å; I1260-L1263 PolarHBondContact O-N 2.91Å; L1263-S1265 VanDerWaalsContact C-N 3.3Å; L1263-S1265 PolarHBondContact O-N 3.49Å; L1263-E1266 PolarHBondContact O-N 3.26Å; L1263-M1267 WeakPolarHBondContact O-CG 3.36Å; L1263-M1267 PolarHBondContact O-N 3.38Å; L1263-I1275 HydrophobicContact CD2-CD1 4.18Å |
| 1264 | N | 67.3 | Low | 72.4 | Confident | 82 Ų | 82 | 72.7 Ų | 72.7 | 44% | 0.439 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.5 | -33.5 | 174.7 | -75.4 | -27.7 | 0 | 0 | 0 | 111.7 | I1260 E1261 G1262 M1267 | I1260-N1264 WeakPolarHBondContact O-CB 3.29Å; I1260-N1264 VanDerWaalsContact O-CG 3.24Å; I1260-N1264 PolarHBondContact O-N 3.4Å; I1260-N1264 PolarHBondContact O-ND2 2.82Å; E1261-N1264 PolarHBondContact O-N 3.11Å; G1262-N1264 VanDerWaalsContact C-N 3.32Å; G1262-N1264 PolarHBondContact O-N 2.81Å; N1264-M1267 WeakPolarHBondContact OD1-CE 3.29Å |
| 1265 | S | 65.8 | Low | 72.9 | Confident | 75 Ų | 75 | 70.3 Ų | 70.3 | 52% | 0.524 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -71.1 | -40 | 172.4 | 78.6 | 0 | 0 | 0 | 0 | 112.2 | E1261 G1262 L1263 M1267 S1268 | E1261-S1265 PolarHBondContact O-N 2.82Å; G1262-S1265 CarbonylContact O-C 3.53Å; G1262-S1265 WeakPolarHBondContact O-CA 3.26Å; G1262-S1265 WeakPolarHBondContact O-CB 3.35Å; G1262-S1265 PolarHBondContact O-N 2.76Å; G1262-S1265 PolarHBondContact O-OG 3.35Å; L1263-S1265 VanDerWaalsContact C-N 3.3Å; L1263-S1265 PolarHBondContact O-N 3.49Å; S1265-M1267 VanDerWaalsContact C-N 3.29Å; S1265-M1267 PolarHBondContact O-N 3.2Å; S1265-S1268 VanDerWaalsContact O-CB 3.26Å; S1265-S1268 WeakPolarHBondContact O-CB 3.12Å; S1265-S1268 PolarHBondContact O-N 2.77Å; S1265-S1268 VanDerWaalsContact O-N 3.12Å; S1265-S1268 PolarHBondContact O-OG 2.89Å |
| 1266 | E | 60.6 | Low | 73.4 | Confident | 112 Ų | 112 | 67.5 Ų | 67.5 | 52% | 0.523 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.8 | -27.2 | 174.1 | -75.8 | -175.5 | 175.7 | 0 | 0 | 112.9 | G1262 L1263 S1268 G1269 I1272 | G1262-E1266 PolarHBondContact O-N 3.02Å; L1263-E1266 PolarHBondContact O-N 3.26Å; E1266-S1268 PolarHBondContact O-N 3.49Å; E1266-G1269 WeakPolarHBondContact O-CA 3.42Å; E1266-G1269 PolarHBondContact O-N 3.37Å; E1266-I1272 HydrophobicContact CB-CD1 4.17Å |
| 1267 | M | 56.5 | Low | 73.8 | Confident | 62 Ų | 62 | 66.9 Ų | 66.9 | 31% | 0.305 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -16.9 | 171.5 | -75.1 | -142.6 | -89.3 | 0 | 0 | 113.5 | L1263 N1264 S1265 G1269 I1275 | L1263-M1267 WeakPolarHBondContact O-CG 3.36Å; L1263-M1267 PolarHBondContact O-N 3.38Å; N1264-M1267 WeakPolarHBondContact OD1-CE 3.29Å; S1265-M1267 VanDerWaalsContact C-N 3.29Å; S1265-M1267 PolarHBondContact O-N 3.2Å; M1267-G1269 VanDerWaalsContact C-N 3.28Å; M1267-I1275 HydrophobicContact CG-CB 4.4Å; M1267-I1275 HydrophobicContact CG-CD1 3.43Å; M1267-I1275 VanDerWaalsContact CG-CD1 3.43Å; M1267-I1275 HydrophobicContact CG-CG1 3.79Å; M1267-I1275 HydrophobicContact SD-CB 3.87Å; M1267-I1275 HydrophobicContact SD-CD1 4.08Å; M1267-I1275 HydrophobicContact SD-CG1 3.87Å |
| 1268 | S | 60.4 | Low | 74.2 | Confident | 102 Ų | 102 | 63.5 Ų | 63.5 | 71% | 0.713 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -8.2 | 172.6 | -36.3 | 0 | 0 | 0 | 0 | 113.4 | S1265 E1266 | S1265-S1268 VanDerWaalsContact O-CB 3.26Å; S1265-S1268 WeakPolarHBondContact O-CB 3.12Å; S1265-S1268 PolarHBondContact O-N 2.77Å; S1265-S1268 VanDerWaalsContact O-N 3.12Å; S1265-S1268 PolarHBondContact O-OG 2.89Å; E1266-S1268 PolarHBondContact O-N 3.49Å |
| 1269 | G | 65.6 | Low | 74.7 | Confident | 25 Ų | 25 | 58.9 Ų | 58.9 | 26% | 0.258 | 33% | 0.327 | S | S | . | . | trans | -65.9 | 132 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | E1266 M1267 D1271 I1272 | E1266-G1269 WeakPolarHBondContact O-CA 3.42Å; E1266-G1269 PolarHBondContact O-N 3.37Å; M1267-G1269 VanDerWaalsContact C-N 3.28Å; G1269-D1271 PolarHBondContact O-N 2.84Å; G1269-D1271 VanDerWaalsContact O-N 3.09Å; G1269-I1272 PolarHBondContact O-N 3.01Å | ||
| 1270 | L | 71.4 | Confident | 75.5 | Confident | 155 Ų | 155 | 53.4 Ų | 53.4 | 81% | 0.812 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -17.6 | -177.2 | -74.9 | 163.7 | 0 | 0 | 0 | 113.8 | R1219 | R1219-L1270 WeakPolarHBondContact CD-O 3.31Å; R1219-L1270 PolarHBondContact NH1-O 3.28Å |
| 1271 | D | 81.6 | Confident | 76.3 | Confident | 76 Ų | 76 | 52.7 Ų | 52.7 | 41% | 0.406 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -22.7 | -179.6 | 62.5 | -44 | 0 | 0 | 0 | 113.9 | Q1218 R1219 G1269 | Q1218-D1271 CarbonylContact C-O 3.54Å; Q1218-D1271 WeakPolarHBondContact CA-O 3.22Å; R1219-D1271 PolarHBondContact N-O 2.68Å; G1269-D1271 PolarHBondContact O-N 2.84Å; G1269-D1271 VanDerWaalsContact O-N 3.09Å |
| 1272 | I | 81.5 | Confident | 77.1 | Confident | 20 Ų | 20 | 45.8 Ų | 45.8 | 10% | 0.103 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 123.4 | 177.9 | -58.6 | -172.2 | 0 | 0 | 0 | 109.4 | V1216 E1266 G1269 I1275 | V1216-I1272 HydrophobicContact CG1-CD1 4.44Å; V1216-I1272 HydrophobicContact CG1-CG2 4.08Å; E1266-I1272 HydrophobicContact CB-CD1 4.17Å; G1269-I1272 PolarHBondContact O-N 3.01Å; I1272-I1275 HydrophobicContact CG2-CD1 4.49Å; I1272-I1275 HydrophobicContact CG2-CG1 3.99Å |
| 1273 | E | 83.1 | Confident | 78 | Confident | 36 Ų | 36 | 46.8 Ų | 46.8 | 17% | 0.168 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | -37.7 | 177.5 | -169.8 | -87.2 | 167.6 | 0 | 0 | 112 | N1217 R1219 Y1276 | N1217-E1273 HydrophobicContact CB-CB 4.27Å; N1217-E1273 PolarHBondContact ND2-OE2 3.48Å; N1217-E1273 WeakPolarHBondContact O-CA 3.28Å; N1217-E1273 WeakPolarHBondContact O-CB 3.41Å; N1217-E1273 PolarHBondContact O-N 3.13Å; R1219-E1273 HydrophobicContact CG-CB 4.42Å; E1273-Y1276 PolarHBondContact OE2-OH 3.37Å |
| 1274 | G | 85.9 | Confident | 79.2 | Confident | 3 Ų | 3 | 45.9 Ų | 45.9 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.1 | 156.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N1217 G1571 | N1217-G1274 PolarHBondContact N-O 3.26Å; N1217-G1274 PolarHBondContact O-N 3.28Å; G1274-G1571 VanDerWaalsContact CA-O 3.27Å; G1274-G1571 WeakPolarHBondContact CA-O 3.35Å |
| 1275 | I | 87.5 | Confident | 80.2 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 114.7 | 178 | -52 | -174 | 0 | 0 | 0 | 110.8 | F1214 Y1215 V1216 L1263 M1267 I1272 T1278 G1571 | F1214-I1275 HydrophobicContact CD2-CG2 3.84Å; F1214-I1275 HydrophobicContact CE2-CG2 4.47Å; Y1215-I1275 CarbonylContact O-C 3.59Å; Y1215-I1275 VanDerWaalsContact O-CA 3.28Å; Y1215-I1275 WeakPolarHBondContact O-CA 3.32Å; V1216-I1275 HydrophobicContact CG1-CG1 4.29Å; V1216-I1275 HydrophobicContact CG2-CD1 4.4Å; V1216-I1275 HydrophobicContact CG2-CG1 4.22Å; V1216-I1275 HydrophobicContact CG2-CG2 4.18Å; L1263-I1275 HydrophobicContact CD2-CD1 4.18Å; M1267-I1275 HydrophobicContact CG-CB 4.4Å; M1267-I1275 HydrophobicContact CG-CD1 3.43Å; M1267-I1275 VanDerWaalsContact CG-CD1 3.43Å; M1267-I1275 HydrophobicContact CG-CG1 3.79Å; M1267-I1275 HydrophobicContact SD-CB 3.87Å; M1267-I1275 HydrophobicContact SD-CD1 4.08Å; M1267-I1275 HydrophobicContact SD-CG1 3.87Å; I1272-I1275 HydrophobicContact CG2-CD1 4.49Å; I1272-I1275 HydrophobicContact CG2-CG1 3.99Å; I1275-T1278 HydrophobicContact CB-CG2 4.47Å; I1275-T1278 HydrophobicContact CG2-CG2 3.64Å; I1275-G1571 VanDerWaalsContact O-CA 3.28Å; I1275-G1571 WeakPolarHBondContact O-CA 3.3Å |
| 1276 | Y | 89.9 | Confident | 81.3 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 160.6 | -169.4 | -54.6 | -96.9 | 0 | 0 | 0 | 112.9 | F1214 Y1215 N1217 L1237 P1238 E1273 T1278 I1559 L1570 | F1214-Y1276 WeakPolarHBondContact CA-O 3.38Å; F1214-Y1276 WeakPolarHBondContact CB-O 3.3Å; Y1215-Y1276 PolarHBondContact N-O 3.37Å; Y1215-Y1276 PolarHBondContact O-N 2.94Å; N1217-Y1276 HydrophobicContact CB-CE2 4.04Å; L1237-Y1276 HydrophobicContact CD1-CE2 4.33Å; L1237-Y1276 HydrophobicContact CD2-CD2 4.28Å; L1237-Y1276 HydrophobicContact CD2-CE2 4.11Å; P1238-Y1276 HydrophobicContact CG-CD1 4.12Å; P1238-Y1276 HydrophobicContact CG-CE1 4.32Å; E1273-Y1276 PolarHBondContact OE2-OH 3.37Å; Y1276-T1278 PolarHBondContact O-N 3.11Å; Y1276-I1559 HydrophobicContact CG-CG2 4.49Å; Y1276-L1570 VanDerWaalsContact CE1-C 3.49Å; Y1276-L1570 WeakPolarHBondContact CE1-O 3.29Å |
| 1277 | E | 90.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 63.2 | 18.4 | -179.1 | -75.5 | -171 | -157.7 | 0 | 0 | 115.8 | Y1215 N1279 V1280 R1285 I1559 L1560 D1569 | Y1215-E1277 HydrophobicContact CD2-CB 4.16Å; Y1215-E1277 HydrophobicContact CD2-CG 4.24Å; Y1215-E1277 HydrophobicContact CE2-CB 4.4Å; Y1215-E1277 VanDerWaalsContact CE2-CD 3.45Å; Y1215-E1277 HydrophobicContact CE2-CG 4.23Å; Y1215-E1277 WeakPolarHBondContact CE2-OE2 3.19Å; E1277-N1279 PolarHBondContact O-N 3.49Å; E1277-V1280 HydrophobicContact CB-CG2 3.75Å; E1277-V1280 HydrophobicContact CG-CG2 3.73Å; E1277-V1280 PolarHBondContact O-N 3.01Å; E1277-R1285 IonicContact OE2-CZ 2.62Å; E1277-R1285 VanDerWaalsContact OE2-CZ 3.25Å; E1277-R1285 IonicContact OE2-NH1 2.68Å; E1277-R1285 PolarHBondContact OE2-NH1 2.97Å; E1277-R1285 IonicContact OE2-NH2 2.91Å; E1277-R1285 PolarHBondContact OE2-NH2 3.4Å; E1277-I1559 HydrophobicContact CG-CG2 3.67Å; E1277-L1560 HydrophobicContact CG-CB 4.04Å; E1277-L1560 WeakPolarHBondContact CG-O 3.4Å; E1277-L1560 PolarHBondContact OE1-N 3.49Å; E1277-D1569 PolarHBondContact N-OD2 3.43Å; E1277-D1569 VanDerWaalsContact N-OD2 3.16Å |
| 1278 | T | 85 | Confident | 84.1 | Confident | 22 Ų | 22 | 31.2 Ų | 31.2 | 14% | 0.135 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -31.5 | 179 | 59.4 | 0 | 0 | 0 | 0 | 112.2 | F1214 I1275 Y1276 D1569 | F1214-T1278 HydrophobicContact CB-CG2 4.42Å; I1275-T1278 HydrophobicContact CB-CG2 4.47Å; I1275-T1278 HydrophobicContact CG2-CG2 3.64Å; Y1276-T1278 PolarHBondContact O-N 3.11Å; T1278-D1569 PolarHBondContact N-OD2 3.08Å; T1278-D1569 PolarHBondContact OG1-OD2 3.01Å |
| 1279 | N | 86.2 | Confident | 85.3 | Confident | 68 Ų | 68 | 28.8 Ų | 28.8 | 36% | 0.364 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 2.3 | -174.8 | -67.6 | -44 | 0 | 0 | 0 | 114.7 | E1277 P1281 C1562 D1569 | E1277-N1279 PolarHBondContact O-N 3.49Å; N1279-P1281 WeakPolarHBondContact O-CD 3.48Å; N1279-C1562 CarbonylContact C-O 3.53Å; N1279-C1562 VanDerWaalsContact CB-O 3.23Å; N1279-C1562 WeakPolarHBondContact CB-O 3.28Å; N1279-D1569 HydrophobicContact CB-CB 4.5Å; N1279-D1569 PolarHBondContact N-OD2 3.15Å |
| 1280 | V | 89.5 | Confident | 86.1 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -67.3 | 116.8 | 178.8 | -179.4 | 0 | 0 | 0 | 0 | 109.8 | R1212 E1277 F1284 R1285 L1560 C1562 | R1212-V1280 PolarHBondContact NH1-O 3.46Å; E1277-V1280 HydrophobicContact CB-CG2 3.75Å; E1277-V1280 HydrophobicContact CG-CG2 3.73Å; E1277-V1280 PolarHBondContact O-N 3.01Å; V1280-F1284 HydrophobicContact CG1-CD1 4.28Å; V1280-R1285 HydrophobicContact CG1-CB 4.21Å; V1280-L1560 HydrophobicContact CG2-CB 4.4Å; V1280-C1562 HydrophobicContact CB-CB 4.31Å; V1280-C1562 HydrophobicContact CG2-CB 3.79Å | ||
| 1281 | P | 89.3 | Confident | 86.5 | Confident | 39 Ų | 39 | 20.6 Ų | 20.6 | 25% | 0.253 | 11% | 0.112 | S | C | . | . | trans | -62.9 | 136.1 | 179.4 | -23 | 34.8 | 0 | 0 | 0 | 111.4 | N1279 L1283 F1284 R1285 L1703 | N1279-P1281 WeakPolarHBondContact O-CD 3.48Å; P1281-L1283 PolarHBondContact O-N 3.36Å; P1281-F1284 HydrophobicContact CB-CB 4.12Å; P1281-F1284 HydrophobicContact CG-CB 4.36Å; P1281-F1284 WeakPolarHBondContact O-CB 3.21Å; P1281-F1284 PolarHBondContact O-N 2.94Å; P1281-R1285 PolarHBondContact O-N 3.34Å; P1281-L1703 HydrophobicContact CG-CD1 4.38Å; P1281-L1703 HydrophobicContact CG-CD2 4.08Å | ||
| 1282 | P | 87.1 | Confident | 86.4 | Confident | 21 Ų | 21 | 18 Ų | 18 | 14% | 0.136 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.1 | -36.2 | 179.7 | -26.1 | 35.3 | 0 | 0 | 0 | 112.8 | F1193 V1210 R1285 V1286 | F1193-P1282 HydrophobicContact CE2-CB 3.76Å; F1193-P1282 HydrophobicContact CZ-CB 3.88Å; V1210-P1282 HydrophobicContact CB-CB 4.4Å; V1210-P1282 HydrophobicContact CG1-CB 4.12Å; P1282-R1285 PolarHBondContact O-N 2.96Å; P1282-V1286 PolarHBondContact O-N 3.06Å |
| 1283 | L | 87.7 | Confident | 86.2 | Confident | 55 Ų | 55 | 18.1 Ų | 18.1 | 29% | 0.288 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -62.4 | -44.1 | 174 | -176.9 | 59.7 | 0 | 0 | 0 | 111.9 | V1184 F1193 P1281 R1285 V1286 L1287 | V1184-L1283 HydrophobicContact CB-CD1 4.13Å; V1184-L1283 HydrophobicContact CG1-CD1 3.86Å; F1193-L1283 HydrophobicContact CD1-CD1 4.25Å; F1193-L1283 HydrophobicContact CE1-CB 3.9Å; F1193-L1283 HydrophobicContact CE1-CD1 3.98Å; F1193-L1283 HydrophobicContact CE1-CG 4.45Å; F1193-L1283 HydrophobicContact CZ-CB 4.03Å; P1281-L1283 PolarHBondContact O-N 3.36Å; L1283-R1285 VanDerWaalsContact C-N 3.33Å; L1283-R1285 PolarHBondContact O-N 3.13Å; L1283-V1286 HydrophobicContact CD1-CG1 4.16Å; L1283-V1286 WeakPolarHBondContact O-CG1 3.35Å; L1283-V1286 PolarHBondContact O-N 3.35Å; L1283-L1287 HydrophobicContact CD1-CD1 4.22Å; L1283-L1287 HydrophobicContact CD1-CG 4.25Å; L1283-L1287 HydrophobicContact CG-CD1 4.01Å; L1283-L1287 HydrophobicContact CG-CG 4.46Å; L1283-L1287 WeakPolarHBondContact O-CG 3.36Å; L1283-L1287 PolarHBondContact O-N 2.74Å; L1283-L1287 VanDerWaalsContact O-N 3.09Å |
| 1284 | F | 90.3 | Very high | 86.1 | Confident | 6 Ų | 6 | 17.7 Ų | 17.7 | 3% | 0.026 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.2 | -41.5 | 177 | -176.4 | -103.3 | 0 | 0 | 0 | 111.7 | V1280 P1281 V1286 L1287 M1288 F1543 D1546 L1547 A1550 L1703 | V1280-F1284 HydrophobicContact CG1-CD1 4.28Å; P1281-F1284 HydrophobicContact CB-CB 4.12Å; P1281-F1284 HydrophobicContact CG-CB 4.36Å; P1281-F1284 WeakPolarHBondContact O-CB 3.21Å; P1281-F1284 PolarHBondContact O-N 2.94Å; F1284-V1286 PolarHBondContact O-N 3.14Å; F1284-L1287 PolarHBondContact O-N 2.96Å; F1284-M1288 WeakPolarHBondContact O-CB 3.49Å; F1284-M1288 PolarHBondContact O-N 3.47Å; F1284-F1543 AromaticContact CD2-CE2 3.67Å; F1284-F1543 HydrophobicContact CD2-CE2 3.67Å; F1284-F1543 AromaticContact CD2-CZ 3.93Å; F1284-F1543 HydrophobicContact CD2-CZ 3.93Å; F1284-F1543 AromaticContact CE2-CE2 3.96Å; F1284-F1543 HydrophobicContact CE2-CE2 3.96Å; F1284-F1543 HydrophobicContact CE2-CZ 4.27Å; F1284-D1546 HydrophobicContact CE2-CB 4.17Å; F1284-D1546 HydrophobicContact CZ-CB 4.27Å; F1284-L1547 HydrophobicContact CD2-CD1 4.4Å; F1284-L1547 HydrophobicContact CE2-CB 4.38Å; F1284-L1547 HydrophobicContact CE2-CD1 3.99Å; F1284-L1547 HydrophobicContact CZ-CD1 4.41Å; F1284-A1550 HydrophobicContact CE1-CB 3.76Å; F1284-A1550 HydrophobicContact CZ-CB 3.66Å; F1284-L1703 HydrophobicContact CB-CD1 4.02Å; F1284-L1703 HydrophobicContact CD1-CD1 4.19Å; F1284-L1703 HydrophobicContact CD2-CD1 3.47Å; F1284-L1703 VanDerWaalsContact CD2-CD1 3.47Å; F1284-L1703 HydrophobicContact CE2-CD1 3.88Å; F1284-L1703 HydrophobicContact CG-CD1 3.63Å; F1284-L1703 HydrophobicContact CZ-CD1 4.39Å |
| 1285 | R | 89.8 | Confident | 85.8 | Confident | 8 Ų | 8 | 21 Ų | 21 | 3% | 0.03 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.6 | -45.7 | 178.6 | -171.8 | 171.7 | -64.3 | -95.4 | 0.7 | 111.7 | T1213 E1277 V1280 P1281 P1282 L1283 M1288 Q1289 | T1213-R1285 PolarHBondContact O-NH2 3.32Å; T1213-R1285 VanDerWaalsContact O-NH2 3.08Å; E1277-R1285 IonicContact OE2-CZ 2.62Å; E1277-R1285 VanDerWaalsContact OE2-CZ 3.25Å; E1277-R1285 IonicContact OE2-NH1 2.68Å; E1277-R1285 PolarHBondContact OE2-NH1 2.97Å; E1277-R1285 IonicContact OE2-NH2 2.91Å; E1277-R1285 PolarHBondContact OE2-NH2 3.4Å; V1280-R1285 HydrophobicContact CG1-CB 4.21Å; P1281-R1285 PolarHBondContact O-N 3.34Å; P1282-R1285 PolarHBondContact O-N 2.96Å; L1283-R1285 VanDerWaalsContact C-N 3.33Å; L1283-R1285 PolarHBondContact O-N 3.13Å; R1285-M1288 PolarHBondContact O-N 3.49Å; R1285-Q1289 WeakPolarHBondContact O-CB 3.26Å; R1285-Q1289 VanDerWaalsContact O-CG 3.3Å; R1285-Q1289 WeakPolarHBondContact O-CG 3.2Å; R1285-Q1289 PolarHBondContact O-N 3.43Å |
| 1286 | V | 88 | Confident | 85.5 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -70.2 | -37.6 | 179.7 | 69.4 | 0 | 0 | 0 | 0 | 112.5 | V1184 L1208 V1210 P1282 L1283 F1284 M1288 Q1289 L1290 | V1184-V1286 HydrophobicContact CG1-CG1 4.03Å; L1208-V1286 HydrophobicContact CD2-CG2 3.6Å; V1210-V1286 HydrophobicContact CG2-CB 4Å; V1210-V1286 HydrophobicContact CG2-CG1 4.48Å; V1210-V1286 HydrophobicContact CG2-CG2 4.22Å; P1282-V1286 PolarHBondContact O-N 3.06Å; L1283-V1286 HydrophobicContact CD1-CG1 4.16Å; L1283-V1286 WeakPolarHBondContact O-CG1 3.35Å; L1283-V1286 PolarHBondContact O-N 3.35Å; F1284-V1286 PolarHBondContact O-N 3.14Å; V1286-M1288 VanDerWaalsContact C-N 3.31Å; V1286-M1288 PolarHBondContact O-N 3.16Å; V1286-Q1289 PolarHBondContact O-N 3.41Å; V1286-L1290 HydrophobicContact CG2-CD1 3.47Å; V1286-L1290 VanDerWaalsContact CG2-CD1 3.47Å; V1286-L1290 HydrophobicContact CG2-CG 3.84Å; V1286-L1290 WeakPolarHBondContact O-CB 3.3Å; V1286-L1290 PolarHBondContact O-N 3.37Å |
| 1287 | L | 88.8 | Confident | 85 | Confident | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.2 | -36.5 | 175.4 | -63.6 | 172.2 | 0 | 0 | 0 | 112.1 | V1184 L1283 F1284 G1291 P1532 N1535 F1543 L1547 R1551 | V1184-L1287 HydrophobicContact CG2-CD2 4.5Å; L1283-L1287 HydrophobicContact CD1-CD1 4.22Å; L1283-L1287 HydrophobicContact CD1-CG 4.25Å; L1283-L1287 HydrophobicContact CG-CD1 4.01Å; L1283-L1287 HydrophobicContact CG-CG 4.46Å; L1283-L1287 WeakPolarHBondContact O-CG 3.36Å; L1283-L1287 PolarHBondContact O-N 2.74Å; L1283-L1287 VanDerWaalsContact O-N 3.09Å; F1284-L1287 PolarHBondContact O-N 2.96Å; L1287-G1291 PolarHBondContact O-N 3.11Å; L1287-P1532 HydrophobicContact CD2-CB 4.28Å; L1287-P1532 HydrophobicContact CD2-CG 3.62Å; L1287-N1535 HydrophobicContact CD1-CB 3.91Å; L1287-N1535 HydrophobicContact CD2-CB 3.52Å; L1287-N1535 HydrophobicContact CG-CB 4.37Å; L1287-F1543 HydrophobicContact CD1-CE1 4.42Å; L1287-F1543 HydrophobicContact CD1-CZ 3.94Å; L1287-L1547 HydrophobicContact CB-CD1 4.14Å; L1287-R1551 PolarHBondContact O-NH2 2.83Å; L1287-R1551 VanDerWaalsContact O-NH2 3.12Å |
| 1288 | M | 88 | Confident | 84.2 | Confident | 11 Ų | 11 | 33 Ų | 33 | 5% | 0.054 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.1 | -44.3 | 174.2 | -178.9 | -165.1 | 68.5 | 0 | 0 | 111 | F1284 R1285 V1286 L1547 A1550 R1551 H1554 L1560 | F1284-M1288 WeakPolarHBondContact O-CB 3.49Å; F1284-M1288 PolarHBondContact O-N 3.47Å; R1285-M1288 PolarHBondContact O-N 3.49Å; V1286-M1288 VanDerWaalsContact C-N 3.31Å; V1286-M1288 PolarHBondContact O-N 3.16Å; M1288-L1547 HydrophobicContact CB-CD1 4Å; M1288-A1550 HydrophobicContact CG-CB 4.13Å; M1288-A1550 HydrophobicContact SD-CB 3.84Å; M1288-R1551 HydrophobicContact CG-CG 3.94Å; M1288-H1554 HydrophobicContact CE-CB 4.23Å; M1288-H1554 HydrophobicContact SD-CB 3.92Å; M1288-L1560 HydrophobicContact CE-CD1 4.4Å; M1288-L1560 HydrophobicContact SD-CD1 3.78Å |
| 1289 | Q | 84 | Confident | 83.7 | Confident | 50 Ų | 50 | 39 Ų | 39 | 23% | 0.234 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -78.1 | -42.1 | -174.8 | -74 | 176 | -14.6 | 0 | 0 | 114.5 | R1285 V1286 A1316 | R1285-Q1289 WeakPolarHBondContact O-CB 3.26Å; R1285-Q1289 VanDerWaalsContact O-CG 3.3Å; R1285-Q1289 WeakPolarHBondContact O-CG 3.2Å; R1285-Q1289 PolarHBondContact O-N 3.43Å; V1286-Q1289 PolarHBondContact O-N 3.41Å; Q1289-A1316 VanDerWaalsContact O-CB 3.3Å; Q1289-A1316 WeakPolarHBondContact O-CB 3.41Å; Q1289-A1316 PolarHBondContact O-N 3.47Å |
| 1290 | L | 83 | Confident | 83 | Confident | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -99.4 | -26.5 | -170.3 | -58.6 | -170.4 | 0 | 0 | 0 | 113.8 | L1208 V1286 V1293 C1294 L1314 A1316 | L1208-L1290 HydrophobicContact CD2-CD1 3.98Å; V1286-L1290 HydrophobicContact CG2-CD1 3.47Å; V1286-L1290 VanDerWaalsContact CG2-CD1 3.47Å; V1286-L1290 HydrophobicContact CG2-CG 3.84Å; V1286-L1290 WeakPolarHBondContact O-CB 3.3Å; V1286-L1290 PolarHBondContact O-N 3.37Å; L1290-V1293 CarbonylContact O-C 3.57Å; L1290-V1293 VanDerWaalsContact O-O 3.11Å; L1290-C1294 HydrophobicContact CB-CB 4.13Å; L1290-C1294 HydrophobicContact CD2-CB 4.34Å; L1290-L1314 HydrophobicContact CD1-CB 4.36Å; L1290-L1314 HydrophobicContact CD1-CD1 4.07Å; L1290-L1314 HydrophobicContact CD2-CB 3.55Å; L1290-A1316 WeakPolarHBondContact O-CB 3.17Å |
| 1291 | G | 80.7 | Confident | 81.8 | Confident | 5 Ų | 5 | 44.7 Ų | 44.7 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | trans | 58.7 | -160.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1287 R1530 P1532 | L1287-G1291 PolarHBondContact O-N 3.11Å; G1291-R1530 WeakPolarHBondContact CA-O 3.38Å; G1291-P1532 VanDerWaalsContact O-CG 3.22Å; G1291-P1532 WeakPolarHBondContact O-CG 3.43Å | ||
| 1292 | N | 77.9 | Confident | 80.3 | Confident | 21 Ų | 21 | 52.5 Ų | 52.5 | 11% | 0.112 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -77.6 | -21.4 | 178.2 | 60.9 | -33.3 | 0 | 0 | 0 | 113.8 | N1182 D1527 R1530 | N1182-N1292 PolarHBondContact N-O 3.35Å; N1292-D1527 PolarHBondContact ND2-OD1 2.94Å; N1292-R1530 PolarHBondContact N-O 2.82Å; N1292-R1530 WeakPolarHBondContact OD1-CA 3.47Å; N1292-R1530 WeakPolarHBondContact OD1-CB 3.34Å |
| 1293 | V | 77.4 | Confident | 78.7 | Confident | 22 Ų | 22 | 55.6 Ų | 55.6 | 13% | 0.133 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -133.3 | 122.1 | -180 | -172.8 | 0 | 0 | 0 | 0 | 109.3 | P1180 L1290 V1317 | P1180-V1293 HydrophobicContact CG-CG1 4.32Å; L1290-V1293 CarbonylContact O-C 3.57Å; L1290-V1293 VanDerWaalsContact O-O 3.11Å; V1293-V1317 HydrophobicContact CG1-CB 4.18Å; V1293-V1317 HydrophobicContact CG1-CG2 3.82Å; V1293-V1317 PolarHBondContact O-N 3.16Å; V1293-V1317 VanDerWaalsContact O-N 3.08Å |
| 1294 | C | 81.3 | Confident | 77.6 | Confident | 28 Ų | 28 | 62.4 Ų | 62.4 | 19% | 0.189 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 158.3 | 179.2 | 73.1 | 0 | 0 | 0 | 0 | 112.1 | N1182 L1290 E1315 | N1182-C1294 PolarHBondContact ND2-N 3.29Å; N1182-C1294 PolarHBondContact ND2-SG 2.94Å; L1290-C1294 HydrophobicContact CB-CB 4.13Å; L1290-C1294 HydrophobicContact CD2-CB 4.34Å; C1294-E1315 CarbonylContact C-O 3.45Å; C1294-E1315 WeakPolarHBondContact CA-O 3.47Å; C1294-E1315 WeakPolarHBondContact CB-O 3.45Å |
| 1295 | Q | 80.7 | Confident | 76.3 | Confident | 72 Ų | 72 | 66.2 Ų | 66.2 | 34% | 0.336 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 159.7 | 173.6 | 67 | -176.7 | 16.7 | 0 | 0 | 110.8 | L1314 E1315 V1317 | Q1295-L1314 CarbonylContact O-C 3.49Å; Q1295-L1314 WeakPolarHBondContact O-CA 3.34Å; Q1295-E1315 HydrophobicContact CG-CG 3.63Å; Q1295-E1315 PolarHBondContact N-O 2.92Å; Q1295-E1315 PolarHBondContact NE2-OE1 2.95Å; Q1295-E1315 PolarHBondContact O-N 3.35Å; Q1295-V1317 HydrophobicContact CB-CG2 4.01Å; Q1295-V1317 HydrophobicContact CG-CG2 4.12Å |
| 1296 | V | 80.3 | Confident | 75.2 | Confident | 47 Ų | 47 | 67.5 Ų | 67.5 | 29% | 0.285 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 127 | 170.3 | -177.8 | 0 | 0 | 0 | 0 | 108.2 | F1300 F1309 L1314 | V1296-F1300 HydrophobicContact CG1-CB 3.62Å; V1296-F1309 HydrophobicContact CG2-CE1 4.25Å; V1296-L1314 HydrophobicContact CB-CD2 4.46Å; V1296-L1314 HydrophobicContact CG2-CD2 3.83Å |
| 1297 | K | 79.1 | Confident | 74.5 | Confident | 62 Ų | 62 | 74.8 Ų | 74.8 | 27% | 0.27 | 37% | 0.371 | S | S | . | . | trans | -54.7 | 144.2 | 177.2 | -74.5 | -177.6 | -175.4 | 164.1 | 0 | 110.2 | N1299 F1300 Q1301 D1312 M1313 L1314 E1315 | K1297-N1299 PolarHBondContact O-N 3.22Å; K1297-F1300 HydrophobicContact CB-CD2 3.95Å; K1297-F1300 PolarHBondContact O-N 3.07Å; K1297-Q1301 PolarHBondContact O-N 3.15Å; K1297-D1312 VanDerWaalsContact CD-O 3.31Å; K1297-D1312 WeakPolarHBondContact CD-O 3.48Å; K1297-D1312 WeakPolarHBondContact CE-O 3.45Å; K1297-D1312 PolarHBondContact NZ-O 3.03Å; K1297-M1313 PolarHBondContact N-O 2.86Å; K1297-L1314 VanDerWaalsContact CE-O 3.32Å; K1297-L1314 WeakPolarHBondContact CE-O 3.25Å; K1297-E1315 HydrophobicContact CG-CB 3.88Å; K1297-E1315 HydrophobicContact CG-CG 3.79Å | ||
| 1298 | Q | 74.5 | Confident | 74.1 | Confident | 148 Ų | 148 | 78.5 Ų | 78.5 | 69% | 0.692 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -48.2 | -38.9 | -175.9 | -72.1 | -177.6 | -7.5 | 0 | 0 | 113.6 | F1300 Q1301 | Q1298-F1300 PolarHBondContact O-N 2.88Å; Q1298-F1300 VanDerWaalsContact O-N 3.13Å; Q1298-Q1301 PolarHBondContact O-N 3.36Å |
| 1299 | N | 74.4 | Confident | 73.8 | Confident | 148 Ų | 148 | 78.8 Ų | 78.8 | 79% | 0.791 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -66.1 | -14.6 | -178.9 | -51.6 | -5 | 0 | 0 | 0 | 114.1 | K1297 | K1297-N1299 PolarHBondContact O-N 3.22Š|
| 1300 | F | 70.5 | Confident | 73.7 | Confident | 61 Ų | 61 | 78.1 Ų | 78.1 | 27% | 0.268 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -116.7 | 3.2 | -176.9 | -60.3 | -87.7 | 0 | 0 | 0 | 112.9 | V1296 K1297 Q1298 Q1302 I1303 M1313 | V1296-F1300 HydrophobicContact CG1-CB 3.62Å; K1297-F1300 HydrophobicContact CB-CD2 3.95Å; K1297-F1300 PolarHBondContact O-N 3.07Å; Q1298-F1300 PolarHBondContact O-N 2.88Å; Q1298-F1300 VanDerWaalsContact O-N 3.13Å; F1300-Q1302 PolarHBondContact O-N 3.11Å; F1300-Q1302 VanDerWaalsContact O-N 3.17Å; F1300-I1303 HydrophobicContact CB-CD1 3.96Å; F1300-I1303 HydrophobicContact CD1-CD1 3.63Å; F1300-I1303 HydrophobicContact CG-CD1 4.28Å; F1300-I1303 WeakPolarHBondContact O-CB 3.4Å; F1300-I1303 WeakPolarHBondContact O-CG1 3.07Å; F1300-I1303 PolarHBondContact O-N 3.06Å; F1300-I1303 VanDerWaalsContact O-N 3.15Å; F1300-M1313 HydrophobicContact CD1-CB 4.38Å; F1300-M1313 HydrophobicContact CD1-CE 4.46Å; F1300-M1313 HydrophobicContact CD1-CG 3.85Å; F1300-M1313 HydrophobicContact CD1-SD 4.39Å; F1300-M1313 HydrophobicContact CD2-CB 4.33Å; F1300-M1313 HydrophobicContact CD2-CG 4.47Å; F1300-M1313 HydrophobicContact CE1-CE 4.27Å; F1300-M1313 HydrophobicContact CE1-CG 3.85Å; F1300-M1313 HydrophobicContact CE2-CG 4.44Å; F1300-M1313 HydrophobicContact CG-CB 4.21Å; F1300-M1313 HydrophobicContact CG-CG 4.18Å; F1300-M1313 HydrophobicContact CZ-CG 4.15Å |
| 1301 | Q | 64.7 | Low | 73.5 | Confident | 127 Ų | 127 | 78.1 Ų | 78.1 | 59% | 0.593 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -20.6 | -176.3 | -74.7 | -178.3 | -3.4 | 0 | 0 | 114.5 | K1297 Q1298 I1303 | K1297-Q1301 PolarHBondContact O-N 3.15Å; Q1298-Q1301 PolarHBondContact O-N 3.36Å; Q1301-I1303 VanDerWaalsContact C-N 3.25Å; Q1301-I1303 PolarHBondContact O-N 3.02Å |
| 1302 | Q | 57.6 | Low | 73.4 | Confident | 202 Ų | 202 | 80.3 Ų | 80.3 | 94% | 0.944 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 0.2 | 178 | -66.3 | -174.7 | -3.3 | 0 | 0 | 113.8 | F1300 | F1300-Q1302 PolarHBondContact O-N 3.11Å; F1300-Q1302 VanDerWaalsContact O-N 3.17Å |
| 1303 | I | 54.2 | Low | 73.6 | Confident | 86 Ų | 86 | 81.5 Ų | 81.5 | 44% | 0.441 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -90.2 | 120.8 | -176.8 | -55.3 | 178.7 | 0 | 0 | 0 | 108.8 | F1300 Q1301 I1305 P1306 | F1300-I1303 HydrophobicContact CB-CD1 3.96Å; F1300-I1303 HydrophobicContact CD1-CD1 3.63Å; F1300-I1303 HydrophobicContact CG-CD1 4.28Å; F1300-I1303 WeakPolarHBondContact O-CB 3.4Å; F1300-I1303 WeakPolarHBondContact O-CG1 3.07Å; F1300-I1303 PolarHBondContact O-N 3.06Å; F1300-I1303 VanDerWaalsContact O-N 3.15Å; Q1301-I1303 VanDerWaalsContact C-N 3.25Å; Q1301-I1303 PolarHBondContact O-N 3.02Å; I1303-I1305 PolarHBondContact O-N 3.45Å; I1303-P1306 HydrophobicContact CG2-CG 4.32Å |
| 1304 | K | 63.5 | Low | 74 | Confident | 198 Ų | 198 | 81 Ų | 81 | 86% | 0.861 | 40% | 0.403 | S | S | * | . | trans | -51.9 | 131.2 | 163.5 | -98.8 | -175.5 | 174.8 | -178.9 | 0 | 108 | P1306 | K1304-P1306 WeakPolarHBondContact O-CD 3.49Š| ||
| 1305 | I | 64.1 | Low | 74 | Confident | 87 Ų | 87 | 82.8 Ų | 82.8 | 45% | 0.446 | 41% | 0.408 | S | S | . | . | trans | -39 | 103.3 | -179.6 | -56.7 | 175.6 | 0 | 0 | 0 | 109.5 | V1206 I1303 F1309 | V1206-I1305 HydrophobicContact CG1-CG2 4.03Å; I1303-I1305 PolarHBondContact O-N 3.45Å; I1305-F1309 HydrophobicContact CG2-CE2 3.89Å; I1305-F1309 HydrophobicContact CG2-CZ 4.2Å | ||
| 1306 | P | 65.5 | Low | 74 | Confident | 35 Ų | 35 | 81.4 Ų | 81.4 | 23% | 0.227 | 41% | 0.409 | C | S | . | . | trans | -72.2 | 154.4 | -179 | 28.2 | -32.5 | 0 | 0 | 0 | 110.1 | I1303 K1304 E1308 F1309 | I1303-P1306 HydrophobicContact CG2-CG 4.32Å; K1304-P1306 WeakPolarHBondContact O-CD 3.49Å; P1306-E1308 PolarHBondContact O-N 3.03Å; P1306-F1309 VanDerWaalsContact CD-CZ 3.5Å; P1306-F1309 HydrophobicContact CG-CD1 4.07Å; P1306-F1309 HydrophobicContact CG-CD2 4.3Å; P1306-F1309 HydrophobicContact CG-CE1 3.96Å; P1306-F1309 HydrophobicContact CG-CE2 4.21Å; P1306-F1309 HydrophobicContact CG-CG 4.26Å; P1306-F1309 HydrophobicContact CG-CZ 4.06Å | ||
| 1307 | D | 73.7 | Confident | 73.6 | Confident | 152 Ų | 152 | 80.4 Ų | 80.4 | 81% | 0.813 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -59.9 | -27.3 | 176.4 | -65.9 | -34.8 | 0 | 0 | 0 | 112 | K1207 | K1207-D1307 PolarHBondContact N-O 3.47Š|
| 1308 | E | 80.1 | Confident | 72.7 | Confident | 82 Ų | 82 | 80.5 Ų | 80.5 | 38% | 0.383 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 125.1 | 178.3 | -169.1 | -177.6 | 124.5 | 0 | 0 | 111 | K1207 R1209 P1306 | K1207-E1308 HydrophobicContact CB-CB 4.19Å; K1207-E1308 HydrophobicContact CB-CG 3.96Å; K1207-E1308 CarbonylContact O-C 3.55Å; K1207-E1308 WeakPolarHBondContact O-CA 3.44Å; R1209-E1308 IonicContact CZ-OE1 2.74Å; R1209-E1308 IonicContact CZ-OE2 2.96Å; R1209-E1308 IonicContact NE-OE1 3.8Å; R1209-E1308 PolarHBondContact NE-OE1 3.35Å; R1209-E1308 IonicContact NE-OE2 3.22Å; R1209-E1308 IonicContact NH2-OE1 3.67Å; R1209-E1308 PolarHBondContact NH2-OE1 2.95Å; R1209-E1308 IonicContact NH2-OE2 3.98Å; R1209-E1308 PolarHBondContact NH2-OE2 2.78Å; P1306-E1308 PolarHBondContact O-N 3.03Å |
| 1309 | F | 82 | Confident | 71.6 | Confident | 17 Ų | 17 | 74.2 Ų | 74.2 | 8% | 0.075 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 141.2 | 168.4 | -78.1 | -85.7 | 0 | 0 | 0 | 110.7 | V1206 K1207 L1208 R1209 V1296 I1305 P1306 M1313 L1314 | V1206-F1309 HydrophobicContact CB-CD2 4.04Å; V1206-F1309 HydrophobicContact CB-CE2 4.35Å; V1206-F1309 HydrophobicContact CG1-CD2 4.37Å; V1206-F1309 HydrophobicContact CG1-CE2 4.19Å; V1206-F1309 HydrophobicContact CG2-CD2 3.6Å; V1206-F1309 HydrophobicContact CG2-CE2 4.01Å; K1207-F1309 PolarHBondContact O-N 3.25Å; L1208-F1309 CarbonylContact C-O 3.54Å; L1208-F1309 WeakPolarHBondContact CA-O 3.36Å; L1208-F1309 HydrophobicContact CD1-CB 3.92Å; R1209-F1309 PolarHBondContact N-O 2.73Å; V1296-F1309 HydrophobicContact CG2-CE1 4.25Å; I1305-F1309 HydrophobicContact CG2-CE2 3.89Å; I1305-F1309 HydrophobicContact CG2-CZ 4.2Å; P1306-F1309 VanDerWaalsContact CD-CZ 3.5Å; P1306-F1309 HydrophobicContact CG-CD1 4.07Å; P1306-F1309 HydrophobicContact CG-CD2 4.3Å; P1306-F1309 HydrophobicContact CG-CE1 3.96Å; P1306-F1309 HydrophobicContact CG-CE2 4.21Å; P1306-F1309 HydrophobicContact CG-CG 4.26Å; P1306-F1309 HydrophobicContact CG-CZ 4.06Å; F1309-M1313 HydrophobicContact CD1-CB 4.14Å; F1309-M1313 HydrophobicContact CD1-SD 4.03Å; F1309-L1314 HydrophobicContact CD1-CD2 4.1Å; F1309-L1314 HydrophobicContact CD1-CG 4.39Å; F1309-L1314 HydrophobicContact CE1-CD2 4.15Å |
| 1310 | S | 81.9 | Confident | 70.3 | Confident | 37 Ų | 37 | 72.7 Ų | 72.7 | 26% | 0.259 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 140.8 | 156.3 | 171.3 | 0 | 0 | 0 | 0 | 109.1 | D1312 M1313 | S1310-D1312 PolarHBondContact O-N 2.96Å; S1310-D1312 PolarHBondContact OG-N 3.28Å; S1310-M1313 WeakPolarHBondContact O-CB 3.22Å; S1310-M1313 PolarHBondContact O-N 3.36Å |
| 1311 | S | 79.8 | Confident | 68.8 | Low | 3 Ų | 3 | 77 Ų | 77 | 2% | 0.021 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -55.6 | -24.7 | 176.6 | 64.2 | 0 | 0 | 0 | 0 | 113.4 | R1209 P1211 M1313 L1314 | R1209-S1311 PolarHBondContact O-N 3.4Å; P1211-S1311 WeakPolarHBondContact CD-OG 3.34Å; S1311-M1313 PolarHBondContact O-N 3.48Å; S1311-L1314 PolarHBondContact O-N 3.34Å |
| 1312 | D | 79.1 | Confident | 67.7 | Low | 51 Ų | 51 | 75 Ų | 75 | 27% | 0.273 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -69.9 | -15.9 | 177.5 | -73.4 | -39.7 | 0 | 0 | 0 | 113.8 | K1250 K1297 S1310 L1314 | K1250-D1312 IonicContact NZ-OD1 3.7Å; K1250-D1312 PolarHBondContact NZ-OD1 2.87Å; K1250-D1312 IonicContact NZ-OD2 3.37Å; K1250-D1312 PolarHBondContact NZ-OD2 3.34Å; K1297-D1312 VanDerWaalsContact CD-O 3.31Å; K1297-D1312 WeakPolarHBondContact CD-O 3.48Å; K1297-D1312 WeakPolarHBondContact CE-O 3.45Å; K1297-D1312 PolarHBondContact NZ-O 3.03Å; S1310-D1312 PolarHBondContact O-N 2.96Å; S1310-D1312 PolarHBondContact OG-N 3.28Å; D1312-L1314 VanDerWaalsContact C-N 3.35Å |
| 1313 | M | 81 | Confident | 66.6 | Low | 47 Ų | 47 | 72.7 Ų | 72.7 | 23% | 0.232 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -82.4 | -15.7 | 178 | -60.1 | 177.8 | 175.9 | 0 | 0 | 113 | K1297 F1300 F1309 S1310 S1311 | K1297-M1313 PolarHBondContact N-O 2.86Å; F1300-M1313 HydrophobicContact CD1-CB 4.38Å; F1300-M1313 HydrophobicContact CD1-CE 4.46Å; F1300-M1313 HydrophobicContact CD1-CG 3.85Å; F1300-M1313 HydrophobicContact CD1-SD 4.39Å; F1300-M1313 HydrophobicContact CD2-CB 4.33Å; F1300-M1313 HydrophobicContact CD2-CG 4.47Å; F1300-M1313 HydrophobicContact CE1-CE 4.27Å; F1300-M1313 HydrophobicContact CE1-CG 3.85Å; F1300-M1313 HydrophobicContact CE2-CG 4.44Å; F1300-M1313 HydrophobicContact CG-CB 4.21Å; F1300-M1313 HydrophobicContact CG-CG 4.18Å; F1300-M1313 HydrophobicContact CZ-CG 4.15Å; F1309-M1313 HydrophobicContact CD1-CB 4.14Å; F1309-M1313 HydrophobicContact CD1-SD 4.03Å; S1310-M1313 WeakPolarHBondContact O-CB 3.22Å; S1310-M1313 PolarHBondContact O-N 3.36Å; S1311-M1313 PolarHBondContact O-N 3.48Å |
| 1314 | L | 85.5 | Confident | 65.4 | Low | 11 Ų | 11 | 78.9 Ų | 78.9 | 6% | 0.058 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 153.5 | -175.7 | -57.4 | 177.6 | 0 | 0 | 0 | 110.4 | L1195 L1208 L1290 Q1295 V1296 K1297 F1309 S1311 D1312 | L1195-L1314 HydrophobicContact CD2-CD1 3.68Å; L1208-L1314 HydrophobicContact CD1-CD1 3.93Å; L1290-L1314 HydrophobicContact CD1-CB 4.36Å; L1290-L1314 HydrophobicContact CD1-CD1 4.07Å; L1290-L1314 HydrophobicContact CD2-CB 3.55Å; Q1295-L1314 CarbonylContact O-C 3.49Å; Q1295-L1314 WeakPolarHBondContact O-CA 3.34Å; V1296-L1314 HydrophobicContact CB-CD2 4.46Å; V1296-L1314 HydrophobicContact CG2-CD2 3.83Å; K1297-L1314 VanDerWaalsContact CE-O 3.32Å; K1297-L1314 WeakPolarHBondContact CE-O 3.25Å; F1309-L1314 HydrophobicContact CD1-CD2 4.1Å; F1309-L1314 HydrophobicContact CD1-CG 4.39Å; F1309-L1314 HydrophobicContact CE1-CD2 4.15Å; S1311-L1314 PolarHBondContact O-N 3.34Å; D1312-L1314 VanDerWaalsContact C-N 3.35Å |
| 1315 | E | 81.8 | Confident | 63.9 | Low | 65 Ų | 65 | 75.3 Ų | 75.3 | 30% | 0.304 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 151.6 | 173.2 | 64.2 | -174.9 | 177.9 | 0 | 0 | 111 | C1294 Q1295 K1297 | C1294-E1315 CarbonylContact C-O 3.45Å; C1294-E1315 WeakPolarHBondContact CA-O 3.47Å; C1294-E1315 WeakPolarHBondContact CB-O 3.45Å; Q1295-E1315 HydrophobicContact CG-CG 3.63Å; Q1295-E1315 PolarHBondContact N-O 2.92Å; Q1295-E1315 PolarHBondContact NE2-OE1 2.95Å; Q1295-E1315 PolarHBondContact O-N 3.35Å; K1297-E1315 HydrophobicContact CG-CB 3.88Å; K1297-E1315 HydrophobicContact CG-CG 3.79Å |
| 1316 | A | 80 | Confident | 62.3 | Low | 44 Ų | 44 | 79.5 Ų | 79.5 | 36% | 0.364 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 141 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q1289 L1290 | Q1289-A1316 VanDerWaalsContact O-CB 3.3Å; Q1289-A1316 WeakPolarHBondContact O-CB 3.41Å; Q1289-A1316 PolarHBondContact O-N 3.47Å; L1290-A1316 WeakPolarHBondContact O-CB 3.17Å |
| 1317 | V | 71.9 | Confident | 60.5 | Low | 25 Ų | 25 | 83.2 Ų | 83.2 | 15% | 0.152 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 130.5 | 173.7 | 179.6 | 0 | 0 | 0 | 0 | 109.8 | V1293 Q1295 G1319 L1322 | V1293-V1317 HydrophobicContact CG1-CB 4.18Å; V1293-V1317 HydrophobicContact CG1-CG2 3.82Å; V1293-V1317 PolarHBondContact O-N 3.16Å; V1293-V1317 VanDerWaalsContact O-N 3.08Å; Q1295-V1317 HydrophobicContact CB-CG2 4.01Å; Q1295-V1317 HydrophobicContact CG-CG2 4.12Å; V1317-G1319 PolarHBondContact O-N 3.16Å; V1317-L1322 HydrophobicContact CB-CD1 4.43Å; V1317-L1322 HydrophobicContact CG1-CD1 4.01Å |
| 1318 | A | 60 | Low | 58.4 | Low | 65 Ų | 65 | 81.8 Ų | 81.8 | 54% | 0.537 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 126.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | D1320 E1321 | A1318-D1320 PolarHBondContact O-N 3.46Å; A1318-E1321 PolarHBondContact O-N 2.85Å; A1318-E1321 VanDerWaalsContact O-N 3.09Å |
| 1319 | G | 51.3 | Low | 55.9 | Low | 15 Ų | 15 | 88 Ų | 88 | 16% | 0.155 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -9.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | V1317 E1321 L1322 | V1317-G1319 PolarHBondContact O-N 3.16Å; G1319-E1321 VanDerWaalsContact C-N 3.31Å; G1319-L1322 PolarHBondContact O-N 3.31Å |
| 1320 | D | 47.5 | Very low | 53.3 | Low | 116 Ų | 116 | 97.9 Ų | 97.9 | 62% | 0.62 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -26.3 | 172.4 | -76.5 | -26.8 | 0 | 0 | 0 | 112.1 | A1318 L1322 K1323 | A1318-D1320 PolarHBondContact O-N 3.46Å; D1320-L1322 VanDerWaalsContact C-N 3.25Å; D1320-L1322 PolarHBondContact O-N 2.67Å; D1320-K1323 PolarHBondContact O-N 3.49Å; D1320-K1323 WeakPolarHBondContact OD1-CD 3.37Å; D1320-K1323 VanDerWaalsContact OD1-CE 3.23Å; D1320-K1323 WeakPolarHBondContact OD1-CE 3.38Å; D1320-K1323 IonicContact OD1-NZ 2.68Å; D1320-K1323 PolarHBondContact OD1-NZ 2.84Å |
| 1321 | E | 40.1 | Very low | 50.8 | Low | 151 Ų | 151 | 102.5 Ų | 102.5 | 71% | 0.706 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -16.6 | 172.6 | -66.3 | -172.2 | 161.1 | 0 | 0 | 112.7 | A1318 G1319 | A1318-E1321 PolarHBondContact O-N 2.85Å; A1318-E1321 VanDerWaalsContact O-N 3.09Å; G1319-E1321 VanDerWaalsContact C-N 3.31Å |
| 1322 | L | 40.7 | Very low | 48.2 | Very low | 85 Ų | 85 | 108.1 Ų | 108.1 | 45% | 0.445 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -1.7 | 178 | -82.9 | 140.7 | 0 | 0 | 0 | 113.6 | V1317 G1319 D1320 Y1324 | V1317-L1322 HydrophobicContact CB-CD1 4.43Å; V1317-L1322 HydrophobicContact CG1-CD1 4.01Å; G1319-L1322 PolarHBondContact O-N 3.31Å; D1320-L1322 VanDerWaalsContact C-N 3.25Å; D1320-L1322 PolarHBondContact O-N 2.67Å; L1322-Y1324 VanDerWaalsContact C-N 3.27Å; L1322-Y1324 PolarHBondContact O-N 3.37Å |
| 1323 | K | 34.9 | Very low | 45.8 | Very low | 154 Ų | 154 | 110.3 Ų | 110.3 | 67% | 0.67 | 55% | 0.547 | S | S | * | . | trans | -70.4 | -10.8 | -172.6 | -91.4 | 179.3 | 178.4 | 164.7 | 0 | 115.8 | D1320 R1325 | D1320-K1323 PolarHBondContact O-N 3.49Å; D1320-K1323 WeakPolarHBondContact OD1-CD 3.37Å; D1320-K1323 VanDerWaalsContact OD1-CE 3.23Å; D1320-K1323 WeakPolarHBondContact OD1-CE 3.38Å; D1320-K1323 IonicContact OD1-NZ 2.68Å; D1320-K1323 PolarHBondContact OD1-NZ 2.84Å; K1323-R1325 PolarHBondContact O-N 3.06Å | ||
| 1324 | Y | 29.2 | Very low | 43.2 | Very low | 217 Ų | 217 | 116.3 Ų | 116.3 | 85% | 0.851 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | 76.9 | 171.5 | -74.1 | -84.6 | 0 | 0 | 0 | 111 | L1322 | L1322-Y1324 VanDerWaalsContact C-N 3.27Å; L1322-Y1324 PolarHBondContact O-N 3.37Å |
| 1325 | R | 31.4 | Very low | 40.4 | Very low | 123 Ų | 123 | 121.6 Ų | 121.6 | 46% | 0.464 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -174.6 | 12.1 | 155.5 | -110 | 172 | -157.7 | 169.3 | 10.8 | 118.9 | A1177 K1323 | A1177-R1325 VanDerWaalsContact N-CZ 3.29Å; A1177-R1325 PolarHBondContact O-NH1 3.5Å; K1323-R1325 PolarHBondContact O-N 3.06Å |
| 1326 | I | 31.7 | Very low | 37.7 | Very low | 175 Ų | 175 | 125 Ų | 125 | 90% | 0.897 | 62% | 0.621 | S | S | * | * | trans | -102.7 | 67.3 | 163.6 | -50.2 | 178.8 | 0 | 0 | 0 | 107.7 | D1328 | I1326-D1328 PolarHBondContact O-N 3.46Š| ||
| 1327 | T | 27.7 | Very low | 35.4 | Very low | 113 Ų | 113 | 129.3 Ų | 129.3 | 69% | 0.693 | 64% | 0.637 | S | S | * | * | trans | -71.3 | 106.7 | 175.6 | 24.7 | 0 | 0 | 0 | 0 | 110.4 | R1329 | T1327-R1329 PolarHBondContact O-N 3.3Š| ||
| 1328 | D | 28.8 | Very low | 33.4 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 65% | 0.647 | 66% | 0.663 | S | S | * | * | trans | 38.2 | 68.6 | 142 | -131.8 | -0.8 | 0 | 0 | 0 | 116.9 | I1326 R1330 | I1326-D1328 PolarHBondContact O-N 3.46Å; D1328-R1330 WeakPolarHBondContact OD1-CG 3.29Å; D1328-R1330 IonicContact OD1-NE 3.4Å; D1328-R1330 PolarHBondContact OD1-NE 2.8Å | ||
| 1329 | R | 28.3 | Very low | 31.8 | Very low | 214 Ų | 214 | 137.4 Ų | 137.4 | 81% | 0.808 | 68% | 0.676 | S | S | * | * | trans | -106.4 | 71.3 | 158.2 | -76 | -170.4 | 179.4 | -177.3 | 3 | 110 | T1327 L1331 | T1327-R1329 PolarHBondContact O-N 3.3Å; R1329-L1331 VanDerWaalsContact C-N 3.3Å; R1329-L1331 PolarHBondContact O-N 3.35Å | ||
| 1330 | R | 26.3 | Very low | 30.7 | Very low | 224 Ų | 224 | 140.5 Ų | 140.5 | 85% | 0.845 | 69% | 0.689 | S | S | * | * | trans | -59.2 | 87.9 | 166.4 | -74.6 | 174.2 | -178.5 | -171.9 | -4.3 | 110.3 | D1328 | D1328-R1330 WeakPolarHBondContact OD1-CG 3.29Å; D1328-R1330 IonicContact OD1-NE 3.4Å; D1328-R1330 PolarHBondContact OD1-NE 2.8Å | ||
| 1331 | L | 28.9 | Very low | 29.8 | Very low | 134 Ų | 134 | 141.8 Ų | 141.8 | 70% | 0.702 | 69% | 0.691 | S | S | * | * | trans | -103.9 | 100.6 | 166.2 | -85.4 | 158 | 0 | 0 | 0 | 107.5 | R1329 L1333 | R1329-L1331 VanDerWaalsContact C-N 3.3Å; R1329-L1331 PolarHBondContact O-N 3.35Å; L1331-L1333 PolarHBondContact O-N 2.86Å | ||
| 1332 | S | 26.2 | Very low | 29.2 | Very low | 121 Ų | 121 | 144.3 Ų | 144.3 | 85% | 0.846 | 69% | 0.694 | S | S | * | * | trans | -56.8 | 102.7 | 174.4 | 54 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1333 | L | 27.8 | Very low | 28.6 | Very low | 96 Ų | 96 | 147.1 Ų | 147.1 | 50% | 0.503 | 70% | 0.699 | S | S | . | * | trans | -90.5 | 103.7 | 177.9 | -75 | 146.2 | 0 | 0 | 0 | 109.4 | L1331 Y1335 | L1331-L1333 PolarHBondContact O-N 2.86Å; L1333-Y1335 HydrophobicContact CB-CD2 3.92Å; L1333-Y1335 HydrophobicContact CB-CE2 3.39Å; L1333-Y1335 HydrophobicContact CD1-CE2 4.34Å; L1333-Y1335 HydrophobicContact CG-CE2 4.36Å; L1333-Y1335 WeakPolarHBondContact O-CD2 3.23Å; L1333-Y1335 PolarHBondContact O-N 3.49Å | ||
| 1334 | N | 26.2 | Very low | 28.4 | Very low | 173 Ų | 173 | 143.4 Ų | 143.4 | 93% | 0.925 | 69% | 0.693 | S | S | * | * | trans | -82.5 | 99.3 | 166 | -85 | -12.8 | 0 | 0 | 0 | 108.5 | ||||
| 1335 | Y | 27.9 | Very low | 28.2 | Very low | 123 Ų | 123 | 140 Ų | 140 | 48% | 0.482 | 68% | 0.679 | S | S | . | * | trans | -74.8 | 126.5 | 178.7 | -71.2 | -94.5 | 0 | 0 | 0 | 111 | L1333 | L1333-Y1335 HydrophobicContact CB-CD2 3.92Å; L1333-Y1335 HydrophobicContact CB-CE2 3.39Å; L1333-Y1335 HydrophobicContact CD1-CE2 4.34Å; L1333-Y1335 HydrophobicContact CG-CE2 4.36Å; L1333-Y1335 WeakPolarHBondContact O-CD2 3.23Å; L1333-Y1335 PolarHBondContact O-N 3.49Å | ||
| 1336 | N | 25.9 | Very low | 28 | Very low | 137 Ų | 137 | 139.5 Ų | 139.5 | 73% | 0.733 | 68% | 0.68 | S | S | * | * | trans | -114.5 | 113.1 | 156.9 | -165.8 | -16.1 | 0 | 0 | 0 | 107.1 | A1338 Q1339 | N1336-A1338 PolarHBondContact O-N 2.71Å; N1336-Q1339 PolarHBondContact O-N 3.48Å | ||
| 1337 | I | 31.1 | Very low | 27.9 | Very low | 134 Ų | 134 | 139.2 Ų | 139.2 | 69% | 0.687 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -63.2 | -13.7 | -164.6 | -70.1 | 169.1 | 0 | 0 | 0 | 113 | Q1339 L1340 | I1337-Q1339 PolarHBondContact O-N 2.94Å; I1337-Q1339 VanDerWaalsContact O-N 3.11Å; I1337-L1340 PolarHBondContact O-N 3.2Å |
| 1338 | A | 29.2 | Very low | 27.8 | Very low | 86 Ų | 86 | 145.8 Ų | 145.8 | 71% | 0.711 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -66.8 | -9.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | N1336 | N1336-A1338 PolarHBondContact O-N 2.71Š|
| 1339 | Q | 27.2 | Very low | 27.8 | Very low | 174 Ų | 174 | 145.3 Ų | 145.3 | 81% | 0.813 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -101.1 | -3.6 | -179.7 | -73 | -171 | -10.5 | 0 | 0 | 115.6 | N1336 I1337 E1341 | N1336-Q1339 PolarHBondContact O-N 3.48Å; I1337-Q1339 PolarHBondContact O-N 2.94Å; I1337-Q1339 VanDerWaalsContact O-N 3.11Å; Q1339-E1341 PolarHBondContact O-N 3Å |
| 1340 | L | 28.6 | Very low | 27.7 | Very low | 80 Ų | 80 | 144.6 Ų | 144.6 | 42% | 0.419 | 69% | 0.689 | S | S | . | * | G | 310 helix | trans | -81.5 | -5.2 | -179.7 | -70.1 | 167.2 | 0 | 0 | 0 | 114.3 | I1337 R1342 W1343 | I1337-L1340 PolarHBondContact O-N 3.2Å; L1340-R1342 PolarHBondContact O-N 3.03Å; L1340-W1343 HydrophobicContact CD2-CZ2 3.53Å; L1340-W1343 PolarHBondContact O-NE1 2.87Å |
| 1341 | E | 28.3 | Very low | 27.6 | Very low | 143 Ų | 143 | 145.4 Ų | 145.4 | 67% | 0.668 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -79.9 | 2.2 | 177.1 | -68.6 | -163.1 | 142.1 | 0 | 0 | 114.5 | Q1339 | Q1339-E1341 PolarHBondContact O-N 3Š|
| 1342 | R | 26.5 | Very low | 27.5 | Very low | 203 Ų | 203 | 148.6 Ų | 148.6 | 77% | 0.766 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -121.3 | 47.9 | -179.1 | -71.5 | -174.9 | -175.8 | 172.7 | 3.1 | 113.9 | L1340 S1344 Y1345 | L1340-R1342 PolarHBondContact O-N 3.03Å; R1342-S1344 PolarHBondContact O-N 2.86Å; R1342-Y1345 PolarHBondContact O-N 3.16Å |
| 1343 | W | 29 | Very low | 27.4 | Very low | 144 Ų | 144 | 149.6 Ų | 149.6 | 55% | 0.545 | 70% | 0.696 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.9 | 48.4 | 173.9 | -78 | 52.8 | 0 | 0 | 0 | 114 | L1340 V1684 | L1340-W1343 HydrophobicContact CD2-CZ2 3.53Å; L1340-W1343 PolarHBondContact O-NE1 2.87Å; W1343-V1684 HydrophobicContact CH2-CG1 3.6Å; W1343-V1684 HydrophobicContact CZ3-CG1 4.3Å |
| 1344 | S | 29.6 | Very low | 27.3 | Very low | 77 Ų | 77 | 149.1 Ų | 149.1 | 54% | 0.538 | 71% | 0.713 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -131.4 | 11.9 | 147.5 | 43.7 | 0 | 0 | 0 | 0 | 112.6 | R1342 | R1342-S1344 PolarHBondContact O-N 2.86Š|
| 1345 | Y | 26.2 | Very low | 27.2 | Very low | 145 Ų | 145 | 146.2 Ų | 146.2 | 57% | 0.569 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -145.2 | 112.8 | 175.2 | -76.3 | -69.2 | 0 | 0 | 0 | 114.9 | R1342 | R1342-Y1345 PolarHBondContact O-N 3.16Š|
| 1346 | F | 27.7 | Very low | 27.1 | Very low | 112 Ų | 112 | 145.3 Ų | 145.3 | 49% | 0.491 | 72% | 0.715 | S | S | . | * | trans | 84.3 | 116.1 | 145 | -81.6 | -76.4 | 0 | 0 | 0 | 122.5 | Y1425 | F1346-Y1425 HydrophobicContact CD1-CD1 4.25Å; F1346-Y1425 HydrophobicContact CD1-CE1 4.38Å; F1346-Y1425 HydrophobicContact CD2-CE1 4.37Å; F1346-Y1425 AromaticContact CE1-CD1 3.18Å; F1346-Y1425 HydrophobicContact CE1-CD1 3.18Å; F1346-Y1425 AromaticContact CE1-CE1 3.38Å; F1346-Y1425 HydrophobicContact CE1-CE1 3.38Å; F1346-Y1425 AromaticContact CE1-CG 3.89Å; F1346-Y1425 HydrophobicContact CE1-CG 3.89Å; F1346-Y1425 HydrophobicContact CE2-CD1 4.09Å; F1346-Y1425 AromaticContact CE2-CE1 3.34Å; F1346-Y1425 HydrophobicContact CE2-CE1 3.34Å; F1346-Y1425 AromaticContact CE2-CZ 3.63Å; F1346-Y1425 AromaticContact CZ-CD1 3.14Å; F1346-Y1425 HydrophobicContact CZ-CD1 3.14Å; F1346-Y1425 HydrophobicContact CZ-CD2 4.19Å; F1346-Y1425 AromaticContact CZ-CE1 2.81Å; F1346-Y1425 HydrophobicContact CZ-CE1 2.81Å; F1346-Y1425 AromaticContact CZ-CE2 3.89Å; F1346-Y1425 HydrophobicContact CZ-CE2 3.89Å; F1346-Y1425 AromaticContact CZ-CG 3.84Å; F1346-Y1425 HydrophobicContact CZ-CG 3.84Å; F1346-Y1425 AromaticContact CZ-CZ 3.19Å | ||
| 1347 | F | 29 | Very low | 27.1 | Very low | 170 Ų | 170 | 143.9 Ų | 143.9 | 75% | 0.746 | 71% | 0.705 | S | S | * | * | trans | -87.1 | 142.3 | 159.3 | -80 | -84.2 | 0 | 0 | 0 | 111.8 | ||||
| 1348 | R | 25.4 | Very low | 26.8 | Very low | 251 Ų | 251 | 144 Ų | 144 | 95% | 0.947 | 71% | 0.712 | S | S | * | * | trans | -112.8 | 100.6 | 173 | -166.5 | 179.3 | -172.4 | 179.5 | 2.8 | 109.1 | ||||
| 1349 | V | 28.5 | Very low | 27 | Very low | 110 Ų | 110 | 147.7 Ų | 147.7 | 67% | 0.667 | 71% | 0.709 | S | S | * | * | trans | -108.9 | 126 | 172.4 | 179.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1350 | K | 25.5 | Very low | 27.3 | Very low | 199 Ų | 199 | 144.7 Ų | 144.7 | 87% | 0.865 | 71% | 0.707 | S | S | * | * | trans | -76.7 | 147.7 | -175.4 | -98.1 | -178.2 | 173.1 | 177.6 | 0 | 113.1 | K1352 | K1350-K1352 PolarHBondContact O-N 2.87Š| ||
| 1351 | R | 25.9 | Very low | 27.7 | Very low | 242 Ų | 242 | 145.7 Ų | 145.7 | 91% | 0.913 | 71% | 0.712 | S | S | * | * | trans | -50.5 | 121.2 | 163.5 | -82.3 | 176.4 | 166.6 | 172.2 | -4.8 | 112.6 | ||||
| 1352 | K | 25 | Very low | 28.4 | Very low | 200 Ų | 200 | 140.7 Ų | 140.7 | 87% | 0.87 | 69% | 0.692 | S | S | * | * | trans | 166.7 | 98.7 | 134.4 | -97.6 | -176 | 178.3 | -174.6 | 0 | 108.2 | K1350 | K1350-K1352 PolarHBondContact O-N 2.87Š| ||
| 1353 | L | 25.2 | Very low | 29.3 | Very low | 143 Ų | 143 | 132 Ų | 132 | 75% | 0.749 | 66% | 0.661 | S | S | * | * | trans | 179.9 | 86.4 | 152.7 | -97.8 | 154.4 | 0 | 0 | 0 | 106.4 | I1355 | L1353-I1355 HydrophobicContact CD2-CD1 4.38Å; L1353-I1355 PolarHBondContact O-N 3.05Å | ||
| 1354 | G | 25.8 | Very low | 30.1 | Very low | 85 Ų | 85 | 125.4 Ų | 125.4 | 88% | 0.876 | 64% | 0.637 | S | S | * | * | trans | -81.5 | 90.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1355 | I | 24.8 | Very low | 31.1 | Very low | 112 Ų | 112 | 123.1 Ų | 123.1 | 57% | 0.574 | 62% | 0.618 | S | S | * | * | trans | -137.5 | 115.6 | 159.5 | -58.8 | -179.1 | 0 | 0 | 0 | 105.8 | L1353 M1357 | L1353-I1355 HydrophobicContact CD2-CD1 4.38Å; L1353-I1355 PolarHBondContact O-N 3.05Å; I1355-M1357 HydrophobicContact CB-SD 4.33Å; I1355-M1357 HydrophobicContact CG2-CG 4.2Å; I1355-M1357 HydrophobicContact CG2-SD 3.63Å; I1355-M1357 PolarHBondContact O-N 3.29Å | ||
| 1356 | A | 25.7 | Very low | 32.2 | Very low | 104 Ų | 104 | 116.2 Ų | 116.2 | 86% | 0.86 | 59% | 0.592 | S | S | * | * | trans | -61.6 | 102 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1357 | M | 24.5 | Very low | 33.4 | Very low | 107 Ų | 107 | 111.3 Ų | 111.3 | 53% | 0.527 | 57% | 0.573 | S | S | . | * | trans | -122.8 | 78.1 | 179.2 | -104.9 | 150.7 | 35.7 | 0 | 0 | 108.1 | I1355 Y1359 | I1355-M1357 HydrophobicContact CB-SD 4.33Å; I1355-M1357 HydrophobicContact CG2-CG 4.2Å; I1355-M1357 HydrophobicContact CG2-SD 3.63Å; I1355-M1357 PolarHBondContact O-N 3.29Å; M1357-Y1359 HydrophobicContact CB-CD2 3.59Å; M1357-Y1359 HydrophobicContact CB-CE2 3.38Å; M1357-Y1359 HydrophobicContact CB-CG 4.47Å; M1357-Y1359 HydrophobicContact CE-CD2 4.44Å; M1357-Y1359 HydrophobicContact CE-CE2 3.29Å; M1357-Y1359 VanDerWaalsContact CE-OH 3.31Å; M1357-Y1359 WeakPolarHBondContact CE-OH 3.46Å; M1357-Y1359 HydrophobicContact CG-CD2 3.85Å; M1357-Y1359 HydrophobicContact CG-CE1 4.15Å; M1357-Y1359 HydrophobicContact CG-CE2 3.19Å; M1357-Y1359 PolarHBondContact O-N 2.68Å; M1357-Y1359 HydrophobicContact SD-CE2 3.61Å; M1357-Y1359 VanDerWaalsContact SD-CZ 3.58Å; M1357-Y1359 PolarHBondContact SD-OH 3.05Å | ||
| 1358 | T | 26 | Very low | 34.4 | Very low | 136 Ų | 136 | 103.3 Ų | 103.3 | 83% | 0.834 | 54% | 0.537 | S | S | * | . | trans | -61.5 | 75.2 | 153.2 | 35.2 | 0 | 0 | 0 | 0 | 108.1 | S1360 | T1358-S1360 PolarHBondContact O-N 3.25Š| ||
| 1359 | Y | 32 | Very low | 35.7 | Very low | 165 Ų | 165 | 92 Ų | 92 | 65% | 0.647 | 50% | 0.495 | S | S | * | . | trans | -79.7 | 106.5 | 165.5 | -71.3 | -65.3 | 0 | 0 | 0 | 107.9 | M1357 L1361 | M1357-Y1359 HydrophobicContact CB-CD2 3.59Å; M1357-Y1359 HydrophobicContact CB-CE2 3.38Å; M1357-Y1359 HydrophobicContact CB-CG 4.47Å; M1357-Y1359 HydrophobicContact CE-CD2 4.44Å; M1357-Y1359 HydrophobicContact CE-CE2 3.29Å; M1357-Y1359 VanDerWaalsContact CE-OH 3.31Å; M1357-Y1359 WeakPolarHBondContact CE-OH 3.46Å; M1357-Y1359 HydrophobicContact CG-CD2 3.85Å; M1357-Y1359 HydrophobicContact CG-CE1 4.15Å; M1357-Y1359 HydrophobicContact CG-CE2 3.19Å; M1357-Y1359 PolarHBondContact O-N 2.68Å; M1357-Y1359 HydrophobicContact SD-CE2 3.61Å; M1357-Y1359 VanDerWaalsContact SD-CZ 3.58Å; M1357-Y1359 PolarHBondContact SD-OH 3.05Å; Y1359-L1361 PolarHBondContact O-N 3.38Å | ||
| 1360 | S | 33.4 | Very low | 36.7 | Very low | 111 Ų | 111 | 87.2 Ų | 87.2 | 78% | 0.776 | 47% | 0.467 | S | S | * | . | trans | -56.9 | 98.6 | 163 | 54.1 | 0 | 0 | 0 | 0 | 108.5 | T1358 P1362 | T1358-S1360 PolarHBondContact O-N 3.25Å; S1360-P1362 WeakPolarHBondContact O-CD 3.43Å | ||
| 1361 | L | 38 | Very low | 38 | Very low | 100 Ų | 100 | 81.9 Ų | 81.9 | 52% | 0.524 | 44% | 0.443 | S | S | . | . | trans | -58.1 | 127.1 | 158.8 | -80.2 | 156.7 | 0 | 0 | 0 | 106.2 | Y1359 I1363 | Y1359-L1361 PolarHBondContact O-N 3.38Å; L1361-I1363 PolarHBondContact O-N 3.19Å | ||
| 1362 | P | 43.1 | Very low | 39.1 | Very low | 39 Ų | 39 | 71.8 Ų | 71.8 | 25% | 0.253 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -68.1 | 6 | 178.7 | 26.6 | -32.6 | 0 | 0 | 0 | 113.2 | P1178 N1201 S1360 P1457 | P1178-P1362 HydrophobicContact CG-CG 4.11Å; N1201-P1362 HydrophobicContact CB-CB 4.2Å; S1360-P1362 WeakPolarHBondContact O-CD 3.43Å; P1362-P1457 WeakPolarHBondContact O-CD 3.41Å; P1362-P1457 WeakPolarHBondContact O-CG 3.45Å |
| 1363 | I | 44.2 | Very low | 40 | Very low | 20 Ų | 20 | 64.5 Ų | 64.5 | 10% | 0.103 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -118.2 | 116.1 | -176 | -47.2 | 172.5 | 0 | 0 | 0 | 108.8 | M1198 L1361 P1457 I1459 | M1198-I1363 HydrophobicContact CE-CD1 3.32Å; M1198-I1363 HydrophobicContact CE-CG1 3.66Å; M1198-I1363 HydrophobicContact SD-CD1 3.62Å; M1198-I1363 HydrophobicContact SD-CG1 3.94Å; L1361-I1363 PolarHBondContact O-N 3.19Å; I1363-P1457 CarbonylContact C-O 3.45Å; I1363-P1457 VanDerWaalsContact CA-O 3.25Å; I1363-P1457 WeakPolarHBondContact CA-O 3.34Å; I1363-I1459 HydrophobicContact CD1-CD1 4.48Å; I1363-I1459 HydrophobicContact CG2-CB 4.27Å; I1363-I1459 HydrophobicContact CG2-CD1 4.02Å; I1363-I1459 HydrophobicContact CG2-CG1 3.84Å |
| 1364 | A | 47.6 | Very low | 40.7 | Very low | 6 Ų | 6 | 61.7 Ų | 61.7 | 5% | 0.05 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 135 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | V1390 Y1450 P1457 T1458 I1459 | A1364-V1390 HydrophobicContact CB-CG2 3.87Å; A1364-Y1450 WeakPolarHBondContact CB-OH 3.34Å; A1364-P1457 PolarHBondContact N-O 3.49Å; A1364-T1458 HydrophobicContact CB-CG2 4.29Å; A1364-T1458 VanDerWaalsContact O-CA 3.27Å; A1364-T1458 WeakPolarHBondContact O-CA 3.35Å; A1364-T1458 VanDerWaalsContact O-CG2 3.31Å; A1364-T1458 WeakPolarHBondContact O-CG2 3.12Å; A1364-I1459 PolarHBondContact O-N 3.2Å |
| 1365 | L | 49.2 | Very low | 41.3 | Very low | 28 Ų | 28 | 60.4 Ų | 60.4 | 15% | 0.147 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 124.3 | -175.4 | -57 | 167.2 | 0 | 0 | 0 | 109.4 | P1389 Y1461 Q1519 | L1365-P1389 HydrophobicContact CB-CG 4.48Å; L1365-P1389 WeakPolarHBondContact O-CD 3.35Å; L1365-Y1461 HydrophobicContact CD2-CD2 4.13Å; L1365-Y1461 HydrophobicContact CD2-CE2 3.41Å; L1365-Y1461 VanDerWaalsContact CD2-CE2 3.41Å; L1365-Q1519 VanDerWaalsContact CD1-OE1 3.24Å |
| 1366 | L | 50.1 | Low | 42 | Very low | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 113.8 | 178.1 | -135.9 | 91.9 | 0 | 0 | 0 | 109.7 | F1386 L1447 Y1450 T1458 I1459 V1460 Y1461 | L1366-F1386 HydrophobicContact CD1-CD2 3.92Å; L1366-F1386 HydrophobicContact CD1-CE2 3.12Å; L1366-F1386 HydrophobicContact CD1-CZ 3.78Å; L1366-F1386 HydrophobicContact CD2-CD2 3.57Å; L1366-F1386 HydrophobicContact CD2-CE2 3.47Å; L1366-F1386 VanDerWaalsContact CD2-CE2 3.47Å; L1366-F1386 HydrophobicContact CG-CD2 3.46Å; L1366-F1386 VanDerWaalsContact CG-CD2 3.46Å; L1366-F1386 HydrophobicContact CG-CE2 3.23Å; L1366-F1386 HydrophobicContact CG-CZ 4.28Å; L1366-L1447 HydrophobicContact CD2-CD2 3.26Å; L1366-Y1450 HydrophobicContact CD1-CD1 4.18Å; L1366-Y1450 HydrophobicContact CD1-CD2 4.35Å; L1366-Y1450 HydrophobicContact CD1-CE1 4.04Å; L1366-Y1450 HydrophobicContact CD1-CE2 4.18Å; L1366-Y1450 HydrophobicContact CD1-CG 4.34Å; L1366-T1458 HydrophobicContact CD1-CG2 4.4Å; L1366-I1459 PolarHBondContact N-O 3.49Å; L1366-V1460 HydrophobicContact CB-CB 4.16Å; L1366-V1460 HydrophobicContact CB-CG1 4.22Å; L1366-V1460 HydrophobicContact CB-CG2 3.74Å; L1366-V1460 HydrophobicContact CD2-CG1 4.25Å; L1366-V1460 HydrophobicContact CD2-CG2 3.84Å; L1366-V1460 HydrophobicContact CG-CG2 4.42Å; L1366-V1460 CarbonylContact O-C 3.48Å; L1366-V1460 WeakPolarHBondContact O-CA 3.25Å; L1366-Y1461 PolarHBondContact O-N 3.41Å |
| 1367 | G | 51.5 | Low | 42.8 | Very low | 9 Ų | 9 | 62.2 Ų | 62.2 | 9% | 0.093 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 122.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y1369 F1386 Y1461 | G1367-Y1369 VanDerWaalsContact C-CE2 3.41Å; G1367-F1386 VanDerWaalsContact O-CA 3.27Å; G1367-F1386 WeakPolarHBondContact O-CA 3.4Å; G1367-Y1461 CarbonylContact C-O 3.49Å; G1367-Y1461 VanDerWaalsContact CA-O 3.27Å; G1367-Y1461 WeakPolarHBondContact CA-O 3.41Å |
| 1368 | L | 50.1 | Low | 43.5 | Very low | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.005 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 122 | 177 | -72.8 | 171.4 | 0 | 0 | 0 | 111.7 | G1385 F1386 W1397 L1443 L1447 V1460 Y1461 F1462 V1463 F1478 | L1368-G1385 VanDerWaalsContact CA-O 3.3Å; L1368-G1385 WeakPolarHBondContact CA-O 3.22Å; L1368-F1386 HydrophobicContact CD2-CB 4.35Å; L1368-W1397 HydrophobicContact CD2-CH2 4.41Å; L1368-W1397 HydrophobicContact CD2-CZ3 3.96Å; L1368-L1443 HydrophobicContact CD2-CD1 3.76Å; L1368-L1443 HydrophobicContact CD2-CD2 4.38Å; L1368-L1447 HydrophobicContact CD1-CD1 4.42Å; L1368-V1460 HydrophobicContact CD1-CG1 3.56Å; L1368-V1460 HydrophobicContact CG-CG1 4.18Å; L1368-Y1461 PolarHBondContact N-O 3.05Å; L1368-F1462 HydrophobicContact CB-CB 3.89Å; L1368-F1462 CarbonylContact O-C 3.55Å; L1368-F1462 WeakPolarHBondContact O-CA 3.15Å; L1368-F1462 VanDerWaalsContact O-CB 3.27Å; L1368-F1462 WeakPolarHBondContact O-CB 3.48Å; L1368-V1463 PolarHBondContact O-N 2.92Å; L1368-F1478 HydrophobicContact CD1-CD1 4.38Å; L1368-F1478 HydrophobicContact CD1-CE1 3.48Å; L1368-F1478 VanDerWaalsContact CD1-CE1 3.48Å; L1368-F1478 HydrophobicContact CD1-CZ 4.16Å |
| 1369 | Y | 53 | Low | 44.5 | Very low | 14 Ų | 14 | 63.9 Ų | 63.9 | 6% | 0.055 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 119.3 | -171 | -57.7 | -93 | 0 | 0 | 0 | 111.5 | G1367 W1384 G1385 V1463 F1507 E1511 V1515 | G1367-Y1369 VanDerWaalsContact C-CE2 3.41Å; Y1369-W1384 WeakPolarHBondContact O-CA 3.27Å; Y1369-G1385 PolarHBondContact N-O 2.92Å; Y1369-G1385 PolarHBondContact O-N 3.1Å; Y1369-V1463 CarbonylContact C-O 3.46Å; Y1369-V1463 WeakPolarHBondContact CA-O 3.38Å; Y1369-V1463 HydrophobicContact CD1-CB 3.62Å; Y1369-V1463 HydrophobicContact CD1-CG2 3.8Å; Y1369-V1463 HydrophobicContact CE1-CB 3.92Å; Y1369-V1463 HydrophobicContact CE1-CG2 3.52Å; Y1369-F1507 HydrophobicContact CD2-CD2 4.4Å; Y1369-F1507 AromaticContact CD2-CE2 3.55Å; Y1369-F1507 HydrophobicContact CD2-CE2 3.55Å; Y1369-F1507 HydrophobicContact CD2-CZ 4.29Å; Y1369-F1507 HydrophobicContact CE2-CE2 4.41Å; Y1369-F1507 HydrophobicContact CG-CD2 4.24Å; Y1369-F1507 AromaticContact CG-CE2 3.82Å; Y1369-F1507 HydrophobicContact CG-CE2 3.82Å; Y1369-E1511 HydrophobicContact CD1-CB 3.57Å; Y1369-E1511 HydrophobicContact CD1-CG 3.76Å; Y1369-E1511 HydrophobicContact CE1-CB 3.54Å; Y1369-E1511 HydrophobicContact CE1-CG 4.09Å; Y1369-E1511 WeakPolarHBondContact CE1-OE2 3.44Å; Y1369-E1511 HydrophobicContact CG-CB 4.42Å; Y1369-V1515 WeakPolarHBondContact OH-CG2 3.21Å |
| 1370 | A | 50.9 | Low | 45.4 | Very low | 9 Ų | 9 | 62.4 Ų | 62.4 | 7% | 0.074 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 128.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1383 W1384 V1463 A1464 P1465 Y1466 | A1370-I1383 WeakPolarHBondContact CA-O 3.24Å; A1370-W1384 HydrophobicContact CB-CD2 3.65Å; A1370-W1384 VanDerWaalsContact CB-CE2 3.42Å; A1370-W1384 HydrophobicContact CB-CE3 3.84Å; A1370-W1384 HydrophobicContact CB-CG 4.37Å; A1370-W1384 HydrophobicContact CB-CH2 3.65Å; A1370-W1384 HydrophobicContact CB-CZ2 3.43Å; A1370-W1384 VanDerWaalsContact CB-CZ2 3.43Å; A1370-W1384 HydrophobicContact CB-CZ3 3.84Å; A1370-V1463 PolarHBondContact N-O 3.5Å; A1370-A1464 HydrophobicContact CB-CB 3.74Å; A1370-P1465 WeakPolarHBondContact O-CD 3.45Å; A1370-Y1466 HydrophobicContact CB-CD2 4.43Å; A1370-Y1466 HydrophobicContact CB-CE2 4.27Å |
| 1371 | K | 51.8 | Low | 46.4 | Very low | 87 Ų | 87 | 63.5 Ų | 63.5 | 38% | 0.378 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 119.3 | 175.2 | -156.8 | 167.9 | -169.8 | 164.3 | 0 | 111.2 | ||
| 1372 | T | 49.3 | Very low | 47.3 | Very low | 31 Ų | 31 | 59.1 Ų | 59.1 | 19% | 0.19 | 31% | 0.306 | C | S | . | . | trans | -115.8 | 150.4 | 175.2 | 34.2 | 0 | 0 | 0 | 0 | 111.2 | A1374 P1465 Y1466 | T1372-A1374 PolarHBondContact O-N 3.33Å; T1372-P1465 WeakPolarHBondContact OG1-CG 3.46Å; T1372-Y1466 WeakPolarHBondContact CG2-OH 3.5Å; T1372-Y1466 PolarHBondContact OG1-OH 3.41Å | ||
| 1373 | K | 43.2 | Very low | 48 | Very low | 47 Ų | 47 | 58.6 Ų | 58.6 | 20% | 0.204 | 30% | 0.301 | C | S | . | . | trans | -71 | 111 | 178 | -160 | 172.6 | -175.2 | -174.7 | 0 | 108.3 | R693 L1375 L1497 | R693-K1373 VanDerWaalsContact NH1-CE 3.29Å; K1373-L1375 PolarHBondContact O-N 2.86Å; K1373-L1497 HydrophobicContact CB-CD1 3.53Å; K1373-L1497 HydrophobicContact CD-CD1 4.17Å; K1373-L1497 HydrophobicContact CG-CD1 3.8Å | ||
| 1374 | A | 41.1 | Very low | 48.9 | Very low | 83 Ų | 83 | 57.9 Ų | 57.9 | 69% | 0.686 | 30% | 0.297 | S | S | * | . | trans | -71.6 | 41.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115 | T1372 | T1372-A1374 PolarHBondContact O-N 3.33Š| ||
| 1375 | L | 37.6 | Very low | 49.6 | Very low | 59 Ų | 59 | 57.6 Ų | 57.6 | 31% | 0.309 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -133.1 | 84.7 | -178.5 | -69.8 | 166 | 0 | 0 | 0 | 111 | Y691 K1373 | Y691-L1375 WeakPolarHBondContact O-CD1 3.21Å; Y691-L1375 VanDerWaalsContact O-CD2 3.31Å; Y691-L1375 WeakPolarHBondContact O-CD2 3.3Å; K1373-L1375 PolarHBondContact O-N 2.86Å |
| 1376 | G | 39.2 | Very low | 50.3 | Low | 53 Ų | 53 | 57.3 Ų | 57.3 | 55% | 0.546 | 29% | 0.292 | S | S | . | . | S | Bend | trans | 78.1 | 134.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | R1378 | G1376-R1378 PolarHBondContact O-N 3.43Š|
| 1377 | H | 43.3 | Very low | 50.9 | Low | 201 Ų | 201 | 58.3 Ų | 58.3 | 93% | 0.931 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 35 | -170 | -72.4 | -78.5 | 0 | 0 | 0 | 118.3 | ||
| 1378 | R | 39.5 | Very low | 51.4 | Low | 235 Ų | 235 | 58 Ų | 58 | 89% | 0.887 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.5 | 8.7 | -177.9 | -71.8 | -166.6 | -175.4 | -171.6 | 2 | 117.6 | G1376 | G1376-R1378 PolarHBondContact O-N 3.43Š|
| 1379 | D | 46.8 | Very low | 51.8 | Low | 42 Ų | 42 | 60.4 Ų | 60.4 | 23% | 0.225 | 31% | 0.309 | C | S | . | . | trans | -97.5 | 90.6 | 172.3 | -154.5 | -10.2 | 0 | 0 | 0 | 110.2 | R1381 | D1379-R1381 VanDerWaalsContact CG-NH2 3.27Å; D1379-R1381 PolarHBondContact O-N 2.8Å; D1379-R1381 VanDerWaalsContact O-N 3.17Å; D1379-R1381 IonicContact OD1-CZ 3.07Å; D1379-R1381 VanDerWaalsContact OD1-CZ 3.26Å; D1379-R1381 IonicContact OD1-NE 3.09Å; D1379-R1381 PolarHBondContact OD1-NE 2.76Å; D1379-R1381 IonicContact OD1-NH2 3.53Å; D1379-R1381 PolarHBondContact OD1-NH2 2.79Å; D1379-R1381 IonicContact OD2-CZ 3.29Å; D1379-R1381 IonicContact OD2-NE 2.72Å; D1379-R1381 IonicContact OD2-NH2 2.96Å; D1379-R1381 PolarHBondContact OD2-NH2 3.21Å | ||
| 1380 | D | 49.6 | Very low | 52 | Low | 135 Ų | 135 | 64 Ų | 64 | 72% | 0.722 | 33% | 0.332 | S | S | * | . | trans | -72 | -2.6 | -175.5 | -65.4 | -12.7 | 0 | 0 | 0 | 113.8 | S1382 | D1380-S1382 PolarHBondContact O-N 2.8Š| ||
| 1381 | R | 55.4 | Low | 52.5 | Low | 133 Ų | 133 | 65.8 Ų | 65.8 | 50% | 0.502 | 34% | 0.343 | S | S | . | . | trans | -70.4 | 111.7 | -179.3 | -68.7 | 177.2 | -65.9 | -168.3 | -3.3 | 110.1 | D1379 V1399 | D1379-R1381 VanDerWaalsContact CG-NH2 3.27Å; D1379-R1381 PolarHBondContact O-N 2.8Å; D1379-R1381 VanDerWaalsContact O-N 3.17Å; D1379-R1381 IonicContact OD1-CZ 3.07Å; D1379-R1381 VanDerWaalsContact OD1-CZ 3.26Å; D1379-R1381 IonicContact OD1-NE 3.09Å; D1379-R1381 PolarHBondContact OD1-NE 2.76Å; D1379-R1381 IonicContact OD1-NH2 3.53Å; D1379-R1381 PolarHBondContact OD1-NH2 2.79Å; D1379-R1381 IonicContact OD2-CZ 3.29Å; D1379-R1381 IonicContact OD2-NE 2.72Å; D1379-R1381 IonicContact OD2-NH2 2.96Å; D1379-R1381 PolarHBondContact OD2-NH2 3.21Å; R1381-V1399 WeakPolarHBondContact CA-O 3Å | ||
| 1382 | S | 56.6 | Low | 53.3 | Low | 8 Ų | 8 | 64.7 Ų | 64.7 | 6% | 0.056 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 141.6 | 174.9 | 56.4 | 0 | 0 | 0 | 0 | 110.7 | D1380 W1384 V1399 | D1380-S1382 PolarHBondContact O-N 2.8Å; S1382-W1384 PolarHBondContact OG-NE1 2.98Å; S1382-V1399 PolarHBondContact O-N 2.85Å |
| 1383 | I | 58.2 | Low | 54 | Low | 29 Ų | 29 | 65.6 Ų | 65.6 | 15% | 0.149 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 125.3 | 170.3 | -57.1 | -170.5 | 0 | 0 | 0 | 106.8 | A1370 V1396 W1397 I1398 L1500 I1503 | A1370-I1383 WeakPolarHBondContact CA-O 3.24Å; I1383-V1396 HydrophobicContact CG2-CG1 4.04Å; I1383-W1397 WeakPolarHBondContact CA-O 3.43Å; I1383-I1398 HydrophobicContact CD1-CG1 4.26Å; I1383-I1398 HydrophobicContact CG1-CG1 4.09Å; I1383-I1398 HydrophobicContact CG2-CG1 4.1Å; I1383-L1500 HydrophobicContact CD1-CD2 3.81Å; I1383-L1500 HydrophobicContact CD1-CG 4.49Å; I1383-I1503 HydrophobicContact CD1-CB 4.31Å; I1383-I1503 HydrophobicContact CD1-CD1 4.1Å; I1383-I1503 HydrophobicContact CD1-CG2 3.87Å |
| 1384 | W | 63 | Low | 54.9 | Low | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.015 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 132.5 | 174.5 | -63.5 | 72.7 | 0 | 0 | 0 | 109.1 | Y1369 A1370 S1382 V1396 W1397 L1443 Y1466 F1474 | Y1369-W1384 WeakPolarHBondContact O-CA 3.27Å; A1370-W1384 HydrophobicContact CB-CD2 3.65Å; A1370-W1384 VanDerWaalsContact CB-CE2 3.42Å; A1370-W1384 HydrophobicContact CB-CE3 3.84Å; A1370-W1384 HydrophobicContact CB-CG 4.37Å; A1370-W1384 HydrophobicContact CB-CH2 3.65Å; A1370-W1384 HydrophobicContact CB-CZ2 3.43Å; A1370-W1384 VanDerWaalsContact CB-CZ2 3.43Å; A1370-W1384 HydrophobicContact CB-CZ3 3.84Å; S1382-W1384 PolarHBondContact OG-NE1 2.98Å; W1384-V1396 CarbonylContact O-C 3.59Å; W1384-V1396 WeakPolarHBondContact O-CA 3.48Å; W1384-W1397 HydrophobicContact CB-CB 4.19Å; W1384-W1397 HydrophobicContact CB-CE3 4.03Å; W1384-W1397 PolarHBondContact N-O 2.88Å; W1384-W1397 PolarHBondContact O-N 2.66Å; W1384-W1397 VanDerWaalsContact O-O 3.13Å; W1384-L1443 HydrophobicContact CB-CD2 4.43Å; W1384-L1443 HydrophobicContact CD2-CD2 4.06Å; W1384-L1443 HydrophobicContact CE3-CD2 3.78Å; W1384-L1443 HydrophobicContact CG-CD2 4.35Å; W1384-L1443 HydrophobicContact CZ3-CD2 4.39Å; W1384-Y1466 HydrophobicContact CH2-CD2 4.23Å; W1384-Y1466 HydrophobicContact CZ2-CD2 4.16Å; W1384-Y1466 HydrophobicContact CZ2-CE2 4.07Å; W1384-F1474 HydrophobicContact CH2-CD2 4.38Å; W1384-F1474 AromaticContact CH2-CE2 3.96Å; W1384-F1474 HydrophobicContact CH2-CE2 3.96Å; W1384-F1474 HydrophobicContact CH2-CZ 4.18Å; W1384-F1474 HydrophobicContact CZ2-CE1 4.03Å; W1384-F1474 AromaticContact CZ2-CE2 3.86Å; W1384-F1474 HydrophobicContact CZ2-CE2 3.86Å; W1384-F1474 AromaticContact CZ2-CZ 3.59Å; W1384-F1474 HydrophobicContact CZ2-CZ 3.59Å |
| 1385 | G | 62 | Low | 55.9 | Low | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 146.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1368 Y1369 A1395 | L1368-G1385 VanDerWaalsContact CA-O 3.3Å; L1368-G1385 WeakPolarHBondContact CA-O 3.22Å; Y1369-G1385 PolarHBondContact N-O 2.92Å; Y1369-G1385 PolarHBondContact O-N 3.1Å; G1385-A1395 CarbonylContact C-O 3.5Å; G1385-A1395 WeakPolarHBondContact CA-O 3.42Å |
| 1386 | F | 63.7 | Low | 57.1 | Low | 22 Ų | 22 | 57 Ų | 57 | 10% | 0.096 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 141.4 | 178.1 | 162.3 | -82.1 | 0 | 0 | 0 | 109.9 | L1366 G1367 L1368 N1388 I1393 G1394 A1395 W1397 | L1366-F1386 HydrophobicContact CD1-CD2 3.92Å; L1366-F1386 HydrophobicContact CD1-CE2 3.12Å; L1366-F1386 HydrophobicContact CD1-CZ 3.78Å; L1366-F1386 HydrophobicContact CD2-CD2 3.57Å; L1366-F1386 HydrophobicContact CD2-CE2 3.47Å; L1366-F1386 VanDerWaalsContact CD2-CE2 3.47Å; L1366-F1386 HydrophobicContact CG-CD2 3.46Å; L1366-F1386 VanDerWaalsContact CG-CD2 3.46Å; L1366-F1386 HydrophobicContact CG-CE2 3.23Å; L1366-F1386 HydrophobicContact CG-CZ 4.28Å; G1367-F1386 VanDerWaalsContact O-CA 3.27Å; G1367-F1386 WeakPolarHBondContact O-CA 3.4Å; L1368-F1386 HydrophobicContact CD2-CB 4.35Å; F1386-N1388 HydrophobicContact CD1-CB 4.49Å; F1386-N1388 HydrophobicContact CE1-CB 3.54Å; F1386-N1388 HydrophobicContact CZ-CB 3.61Å; F1386-I1393 VanDerWaalsContact CE1-O 3.31Å; F1386-I1393 WeakPolarHBondContact CE1-O 3.14Å; F1386-G1394 CarbonylContact O-C 3.32Å; F1386-G1394 WeakPolarHBondContact O-CA 3.48Å; F1386-A1395 HydrophobicContact CB-CB 4.08Å; F1386-A1395 HydrophobicContact CD1-CB 3.82Å; F1386-A1395 HydrophobicContact CG-CB 4.27Å; F1386-A1395 PolarHBondContact N-O 2.92Å; F1386-A1395 PolarHBondContact O-N 2.95Å; F1386-W1397 HydrophobicContact CB-CE3 4.41Å; F1386-W1397 HydrophobicContact CB-CH2 3.12Å; F1386-W1397 HydrophobicContact CB-CZ2 4.39Å; F1386-W1397 HydrophobicContact CB-CZ3 3.13Å; F1386-W1397 HydrophobicContact CD1-CH2 4.46Å; F1386-W1397 HydrophobicContact CD2-CH2 4.04Å; F1386-W1397 AromaticContact CG-CH2 3.72Å; F1386-W1397 HydrophobicContact CG-CH2 3.72Å; F1386-W1397 HydrophobicContact CG-CZ3 4.23Å |
| 1387 | I | 63.3 | Low | 58.2 | Low | 21 Ų | 21 | 54.8 Ų | 54.8 | 11% | 0.108 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 113.6 | 174.6 | -60.3 | 180 | 0 | 0 | 0 | 106.9 | P1389 Y1435 F1437 F1507 A1512 | I1387-P1389 WeakPolarHBondContact O-CD 3.31Å; I1387-Y1435 HydrophobicContact CG2-CD1 3.76Å; I1387-Y1435 HydrophobicContact CG2-CE1 3.39Å; I1387-F1437 HydrophobicContact CG1-CE1 4.21Å; I1387-F1507 HydrophobicContact CD1-CE1 4.28Å; I1387-F1507 HydrophobicContact CD1-CZ 4.15Å; I1387-F1507 HydrophobicContact CG1-CZ 4.39Å; I1387-A1512 HydrophobicContact CD1-CB 3.49Å; I1387-A1512 VanDerWaalsContact CD1-CB 3.49Å |
| 1388 | N | 62.1 | Low | 58.9 | Low | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.011 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 110.5 | 172.7 | -179.6 | -17.2 | 0 | 0 | 0 | 109.5 | F1386 V1390 T1391 K1392 I1393 Y1435 Y1450 | F1386-N1388 HydrophobicContact CD1-CB 4.49Å; F1386-N1388 HydrophobicContact CE1-CB 3.54Å; F1386-N1388 HydrophobicContact CZ-CB 3.61Å; N1388-V1390 VanDerWaalsContact C-N 3.29Å; N1388-V1390 PolarHBondContact O-N 3.45Å; N1388-V1390 WeakPolarHBondContact OD1-CA 3.35Å; N1388-V1390 WeakPolarHBondContact OD1-CB 3.48Å; N1388-V1390 PolarHBondContact OD1-N 2.68Å; N1388-T1391 WeakPolarHBondContact CB-OG1 3.4Å; N1388-T1391 WeakPolarHBondContact ND2-CG2 3.36Å; N1388-T1391 PolarHBondContact ND2-OG1 2.93Å; N1388-T1391 PolarHBondContact OD1-N 3.43Å; N1388-K1392 VanDerWaalsContact O-CA 3.23Å; N1388-K1392 WeakPolarHBondContact O-CA 3.22Å; N1388-K1392 PolarHBondContact O-N 3.2Å; N1388-I1393 VanDerWaalsContact CB-O 3.3Å; N1388-I1393 WeakPolarHBondContact CB-O 2.92Å; N1388-I1393 PolarHBondContact N-O 2.75Å; N1388-I1393 PolarHBondContact O-N 2.73Å; N1388-Y1435 WeakPolarHBondContact O-CE1 3.45Å; N1388-Y1450 WeakPolarHBondContact ND2-CE2 3.24Å |
| 1389 | P | 58.9 | Low | 59.6 | Low | 52 Ų | 52 | 39.1 Ų | 39.1 | 34% | 0.338 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -20.5 | -178.9 | 29.2 | -33.4 | 0 | 0 | 0 | 114.2 | L1365 I1387 Y1435 | L1365-P1389 HydrophobicContact CB-CG 4.48Å; L1365-P1389 WeakPolarHBondContact O-CD 3.35Å; I1387-P1389 WeakPolarHBondContact O-CD 3.31Å; P1389-Y1435 VanDerWaalsContact CA-OH 3.3Å; P1389-Y1435 WeakPolarHBondContact CA-OH 3.23Å |
| 1390 | V | 56.6 | Low | 59.9 | Low | 89 Ų | 89 | 39.2 Ų | 39.2 | 54% | 0.539 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -52.8 | -178.4 | -177.8 | 0 | 0 | 0 | 0 | 110.7 | A1364 N1388 K1392 | A1364-V1390 HydrophobicContact CB-CG2 3.87Å; N1388-V1390 VanDerWaalsContact C-N 3.29Å; N1388-V1390 PolarHBondContact O-N 3.45Å; N1388-V1390 WeakPolarHBondContact OD1-CA 3.35Å; N1388-V1390 WeakPolarHBondContact OD1-CB 3.48Å; N1388-V1390 PolarHBondContact OD1-N 2.68Å; V1390-K1392 VanDerWaalsContact C-N 3.28Å |
| 1391 | T | 62.1 | Low | 59.8 | Low | 48 Ų | 48 | 45.2 Ų | 45.2 | 29% | 0.294 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -12.8 | 179 | 63.1 | 0 | 0 | 0 | 0 | 112.6 | N1388 I1393 | N1388-T1391 WeakPolarHBondContact CB-OG1 3.4Å; N1388-T1391 WeakPolarHBondContact ND2-CG2 3.36Å; N1388-T1391 PolarHBondContact ND2-OG1 2.93Å; N1388-T1391 PolarHBondContact OD1-N 3.43Å; T1391-I1393 PolarHBondContact O-N 3.4Å; T1391-I1393 WeakPolarHBondContact OG1-CB 3.44Å; T1391-I1393 PolarHBondContact OG1-N 2.82Å |
| 1392 | K | 68.2 | Low | 59.4 | Low | 63 Ų | 63 | 43.9 Ų | 43.9 | 27% | 0.274 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 31.5 | -171.8 | -46.8 | -175.9 | -172.9 | -180 | 0 | 111.6 | N1388 V1390 E1432 N1434 Y1435 S1436 | N1388-K1392 VanDerWaalsContact O-CA 3.23Å; N1388-K1392 WeakPolarHBondContact O-CA 3.22Å; N1388-K1392 PolarHBondContact O-N 3.2Å; V1390-K1392 VanDerWaalsContact C-N 3.28Å; K1392-E1432 IonicContact NZ-OE1 3.72Å; K1392-E1432 IonicContact NZ-OE2 2.74Å; K1392-E1432 PolarHBondContact NZ-OE2 3.11Å; K1392-N1434 VanDerWaalsContact CD-OD1 3.32Å; K1392-N1434 WeakPolarHBondContact CD-OD1 3.39Å; K1392-N1434 PolarHBondContact NZ-ND2 3.29Å; K1392-Y1435 HydrophobicContact CB-CD1 4.26Å; K1392-Y1435 HydrophobicContact CB-CD2 4.48Å; K1392-Y1435 HydrophobicContact CB-CE1 4.43Å; K1392-Y1435 HydrophobicContact CB-CG 4.32Å; K1392-Y1435 CarbonylContact O-C 3.46Å; K1392-Y1435 WeakPolarHBondContact O-CA 3.44Å; K1392-S1436 PolarHBondContact O-N 3.37Å; K1392-S1436 PolarHBondContact O-OG 2.91Å |
| 1393 | I | 62.9 | Low | 58.9 | Low | 51 Ų | 51 | 46.4 Ų | 46.4 | 26% | 0.262 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 119.9 | 175 | -58.6 | 170.3 | 0 | 0 | 0 | 108 | F1386 N1388 T1391 S1436 E1438 | F1386-I1393 VanDerWaalsContact CE1-O 3.31Å; F1386-I1393 WeakPolarHBondContact CE1-O 3.14Å; N1388-I1393 VanDerWaalsContact CB-O 3.3Å; N1388-I1393 WeakPolarHBondContact CB-O 2.92Å; N1388-I1393 PolarHBondContact N-O 2.75Å; N1388-I1393 PolarHBondContact O-N 2.73Å; T1391-I1393 PolarHBondContact O-N 3.4Å; T1391-I1393 WeakPolarHBondContact OG1-CB 3.44Å; T1391-I1393 PolarHBondContact OG1-N 2.82Å; I1393-S1436 CarbonylContact C-O 3.44Å; I1393-S1436 VanDerWaalsContact CA-O 3.29Å; I1393-S1436 WeakPolarHBondContact CA-O 3.28Å; I1393-E1438 HydrophobicContact CG2-CG 4.43Å |
| 1394 | G | 62.6 | Low | 58.2 | Low | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 155.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F1386 S1436 F1437 E1438 | F1386-G1394 CarbonylContact O-C 3.32Å; F1386-G1394 WeakPolarHBondContact O-CA 3.48Å; G1394-S1436 PolarHBondContact N-O 3.46Å; G1394-F1437 CarbonylContact O-C 3.4Å; G1394-F1437 WeakPolarHBondContact O-CA 3.42Å; G1394-E1438 PolarHBondContact O-N 2.7Å |
| 1395 | A | 62.2 | Low | 57.4 | Low | 2 Ų | 2 | 56.5 Ų | 56.5 | 2% | 0.017 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 140.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | G1385 F1386 W1397 E1438 Y1440 | G1385-A1395 CarbonylContact C-O 3.5Å; G1385-A1395 WeakPolarHBondContact CA-O 3.42Å; F1386-A1395 HydrophobicContact CB-CB 4.08Å; F1386-A1395 HydrophobicContact CD1-CB 3.82Å; F1386-A1395 HydrophobicContact CG-CB 4.27Å; F1386-A1395 PolarHBondContact N-O 2.92Å; F1386-A1395 PolarHBondContact O-N 2.95Å; A1395-W1397 HydrophobicContact CB-CH2 3.64Å; A1395-W1397 HydrophobicContact CB-CZ2 3.67Å; A1395-W1397 HydrophobicContact CB-CZ3 4.17Å; A1395-E1438 CarbonylContact C-O 3.54Å; A1395-E1438 WeakPolarHBondContact CA-O 3.41Å; A1395-E1438 WeakPolarHBondContact CB-O 3.46Å; A1395-Y1440 HydrophobicContact CB-CD2 3.84Å; A1395-Y1440 HydrophobicContact CB-CE2 4.08Å |
| 1396 | V | 62 | Low | 57 | Low | 5 Ų | 5 | 63.5 Ų | 63.5 | 3% | 0.03 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 114.8 | -178.5 | -177.5 | 0 | 0 | 0 | 0 | 108.2 | I1383 W1384 I1398 M1410 F1437 E1438 V1439 | I1383-V1396 HydrophobicContact CG2-CG1 4.04Å; W1384-V1396 CarbonylContact O-C 3.59Å; W1384-V1396 WeakPolarHBondContact O-CA 3.48Å; V1396-I1398 HydrophobicContact CG1-CG1 4.43Å; V1396-M1410 HydrophobicContact CG1-CE 4.36Å; V1396-M1410 HydrophobicContact CG2-CE 3.71Å; V1396-M1410 HydrophobicContact CG2-CG 4.16Å; V1396-F1437 HydrophobicContact CG2-CD1 4.04Å; V1396-E1438 PolarHBondContact N-O 2.88Å; V1396-V1439 WeakPolarHBondContact O-CA 3.35Å; V1396-V1439 WeakPolarHBondContact O-CG1 3.45Å |
| 1397 | W | 62.7 | Low | 56.6 | Low | 7 Ų | 7 | 65 Ų | 65 | 3% | 0.027 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 127.9 | 176.5 | -53.4 | -101.3 | 0 | 0 | 0 | 109.4 | L1368 I1383 W1384 F1386 A1395 Y1440 L1443 A1446 | L1368-W1397 HydrophobicContact CD2-CH2 4.41Å; L1368-W1397 HydrophobicContact CD2-CZ3 3.96Å; I1383-W1397 WeakPolarHBondContact CA-O 3.43Å; W1384-W1397 HydrophobicContact CB-CB 4.19Å; W1384-W1397 HydrophobicContact CB-CE3 4.03Å; W1384-W1397 PolarHBondContact N-O 2.88Å; W1384-W1397 PolarHBondContact O-N 2.66Å; W1384-W1397 VanDerWaalsContact O-O 3.13Å; F1386-W1397 HydrophobicContact CB-CE3 4.41Å; F1386-W1397 HydrophobicContact CB-CH2 3.12Å; F1386-W1397 HydrophobicContact CB-CZ2 4.39Å; F1386-W1397 HydrophobicContact CB-CZ3 3.13Å; F1386-W1397 HydrophobicContact CD1-CH2 4.46Å; F1386-W1397 HydrophobicContact CD2-CH2 4.04Å; F1386-W1397 AromaticContact CG-CH2 3.72Å; F1386-W1397 HydrophobicContact CG-CH2 3.72Å; F1386-W1397 HydrophobicContact CG-CZ3 4.23Å; A1395-W1397 HydrophobicContact CB-CH2 3.64Å; A1395-W1397 HydrophobicContact CB-CZ2 3.67Å; A1395-W1397 HydrophobicContact CB-CZ3 4.17Å; W1397-Y1440 AromaticContact NE1-CG 3.96Å; W1397-L1443 HydrophobicContact CD2-CB 4.4Å; W1397-L1443 HydrophobicContact CD2-CD1 3.8Å; W1397-L1443 HydrophobicContact CE3-CD1 3.74Å; W1397-L1443 HydrophobicContact CG-CB 4.43Å; W1397-L1443 HydrophobicContact CH2-CD1 3.39Å; W1397-L1443 HydrophobicContact CZ2-CD1 3.5Å; W1397-L1443 HydrophobicContact CZ3-CD1 3.5Å; W1397-L1443 VanDerWaalsContact CZ3-CD1 3.5Å; W1397-A1446 HydrophobicContact CZ2-CB 3.78Å |
| 1398 | I | 58 | Low | 56.5 | Low | 38 Ų | 38 | 66 Ų | 66 | 20% | 0.195 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 108.2 | 175 | -67.1 | 162.2 | 0 | 0 | 0 | 105.9 | I1383 V1396 D1400 H1407 L1500 | I1383-I1398 HydrophobicContact CD1-CG1 4.26Å; I1383-I1398 HydrophobicContact CG1-CG1 4.09Å; I1383-I1398 HydrophobicContact CG2-CG1 4.1Å; V1396-I1398 HydrophobicContact CG1-CG1 4.43Å; I1398-D1400 HydrophobicContact CG2-CB 4.06Å; I1398-D1400 PolarHBondContact O-N 3.1Å; I1398-H1407 WeakPolarHBondContact CD1-CE1 3.27Å; I1398-H1407 WeakPolarHBondContact CD1-ND1 3.48Å; I1398-L1500 HydrophobicContact CD1-CD2 3.53Å; I1398-L1500 HydrophobicContact CG1-CD2 4.39Å |
| 1399 | V | 55.1 | Low | 57 | Low | 69 Ų | 69 | 71 Ų | 71 | 42% | 0.418 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 79.6 | 174.1 | -173.6 | 0 | 0 | 0 | 0 | 106.8 | R1381 S1382 | R1381-V1399 WeakPolarHBondContact CA-O 3Å; S1382-V1399 PolarHBondContact O-N 2.85Å |
| 1400 | D | 53.6 | Low | 57.5 | Low | 45 Ų | 45 | 69.2 Ų | 69.2 | 24% | 0.241 | 37% | 0.37 | C | S | . | . | trans | -129.6 | 108.3 | 164 | -179.3 | -6.3 | 0 | 0 | 0 | 106.3 | I1398 S1402 S1403 | I1398-D1400 HydrophobicContact CG2-CB 4.06Å; I1398-D1400 PolarHBondContact O-N 3.1Å; D1400-S1402 PolarHBondContact O-N 2.67Å; D1400-S1402 PolarHBondContact OD1-N 2.69Å; D1400-S1402 PolarHBondContact OD1-OG 3.24Å; D1400-S1403 PolarHBondContact OD2-OG 3Å | ||
| 1401 | R | 47.2 | Very low | 58.4 | Low | 261 Ų | 261 | 66.5 Ų | 66.5 | 99% | 0.985 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -9 | 179.1 | -82 | -172.9 | 178.3 | -179.1 | 1 | 113.2 | ||
| 1402 | S | 46 | Very low | 59.1 | Low | 104 Ų | 104 | 71.2 Ų | 71.2 | 73% | 0.727 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121 | -6.7 | -167.1 | 62.9 | 0 | 0 | 0 | 0 | 117.1 | D1400 | D1400-S1402 PolarHBondContact O-N 2.67Å; D1400-S1402 PolarHBondContact OD1-N 2.69Å; D1400-S1402 PolarHBondContact OD1-OG 3.24Å |
| 1403 | S | 46.2 | Very low | 59.4 | Low | 62 Ų | 62 | 69.3 Ų | 69.3 | 43% | 0.434 | 37% | 0.365 | S | S | . | . | trans | -150 | 93.6 | -174.8 | 73.7 | 0 | 0 | 0 | 0 | 116.2 | D1400 | D1400-S1403 PolarHBondContact OD2-OG 3Š| ||
| 1404 | L | 43.8 | Very low | 59.9 | Low | 119 Ų | 119 | 67 Ų | 67 | 62% | 0.623 | 35% | 0.352 | S | S | * | . | trans | -98.7 | 3.5 | 177.4 | -96.8 | 158.2 | 0 | 0 | 0 | 114.7 | V1439 | L1404-V1439 HydrophobicContact CD2-CG1 4.5Š| ||
| 1405 | V | 45.4 | Very low | 60.6 | Low | 126 Ų | 126 | 68.6 Ų | 68.6 | 76% | 0.764 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -93.4 | -12.6 | -159.7 | -174.3 | 0 | 0 | 0 | 0 | 115.5 | ||
| 1406 | N | 54.4 | Low | 61.4 | Low | 148 Ų | 148 | 73.6 Ų | 73.6 | 79% | 0.791 | 39% | 0.387 | S | S | * | . | trans | -139.2 | 61.7 | -174 | -76.2 | -38 | 0 | 0 | 0 | 114.9 | ||||
| 1407 | H | 55.6 | Low | 61.9 | Low | 53 Ų | 53 | 73.6 Ų | 73.6 | 25% | 0.245 | 39% | 0.386 | C | S | . | . | trans | -88.7 | 133.3 | 173.5 | -62.1 | -51.5 | 0 | 0 | 0 | 112.3 | I1398 | I1398-H1407 WeakPolarHBondContact CD1-CE1 3.27Å; I1398-H1407 WeakPolarHBondContact CD1-ND1 3.48Å | ||
| 1408 | P | 61.8 | Low | 62.6 | Low | 41 Ų | 41 | 75.2 Ų | 75.2 | 27% | 0.266 | 39% | 0.393 | S | S | . | . | trans | -65.3 | 151.4 | 173.7 | 27.1 | -32.4 | 0 | 0 | 0 | 110.8 | M1410 L1413 | P1408-M1410 HydrophobicContact CG-SD 4.45Å; P1408-M1410 PolarHBondContact O-N 3.33Å; P1408-L1413 HydrophobicContact CB-CD1 4.48Å | ||
| 1409 | N | 71.8 | Confident | 63.6 | Low | 108 Ų | 108 | 76.8 Ų | 76.8 | 58% | 0.578 | 40% | 0.401 | S | S | * | . | trans | -63.1 | 101.2 | 176.1 | -177 | -40.2 | 0 | 0 | 0 | 109.9 | S1411 K1412 L1413 | N1409-S1411 PolarHBondContact O-N 3.45Å; N1409-S1411 PolarHBondContact OD1-N 2.84Å; N1409-K1412 HydrophobicContact CB-CB 4.17Å; N1409-K1412 PolarHBondContact O-N 3.45Å; N1409-K1412 PolarHBondContact OD1-N 3.33Å; N1409-L1413 PolarHBondContact O-N 3.5Å; N1409-L1413 VanDerWaalsContact O-N 3.14Å | ||
| 1410 | M | 69 | Low | 64.6 | Low | 14 Ų | 14 | 76.6 Ų | 76.6 | 7% | 0.069 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -66.1 | -36.2 | -172.2 | -72.3 | -57.9 | -70.9 | 0 | 0 | 112.8 | V1396 P1408 K1412 L1413 Y1414 F1437 S1504 F1508 | V1396-M1410 HydrophobicContact CG1-CE 4.36Å; V1396-M1410 HydrophobicContact CG2-CE 3.71Å; V1396-M1410 HydrophobicContact CG2-CG 4.16Å; P1408-M1410 HydrophobicContact CG-SD 4.45Å; P1408-M1410 PolarHBondContact O-N 3.33Å; M1410-K1412 VanDerWaalsContact C-N 3.33Å; M1410-K1412 PolarHBondContact O-N 2.89Å; M1410-L1413 PolarHBondContact O-N 3.38Å; M1410-Y1414 WeakPolarHBondContact O-CB 3.29Å; M1410-Y1414 PolarHBondContact O-N 2.61Å; M1410-F1437 HydrophobicContact CB-CB 3.6Å; M1410-F1437 HydrophobicContact CB-CD1 4.26Å; M1410-F1437 HydrophobicContact CB-CD2 4.45Å; M1410-F1437 HydrophobicContact CB-CG 3.86Å; M1410-S1504 PolarHBondContact SD-OG 2.93Å; M1410-F1508 HydrophobicContact CE-CE2 3.77Å; M1410-F1508 HydrophobicContact CE-CZ 3.52Å |
| 1411 | S | 75.1 | Confident | 65.3 | Low | 32 Ų | 32 | 76.1 Ų | 76.1 | 22% | 0.224 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -58.8 | -45.1 | 173.5 | -72.7 | 0 | 0 | 0 | 0 | 111.5 | N1409 L1413 Y1414 S1415 Y1435 F1437 | N1409-S1411 PolarHBondContact O-N 3.45Å; N1409-S1411 PolarHBondContact OD1-N 2.84Å; S1411-L1413 VanDerWaalsContact C-N 3.35Å; S1411-L1413 PolarHBondContact O-N 2.89Å; S1411-Y1414 PolarHBondContact O-N 2.91Å; S1411-S1415 PolarHBondContact O-N 2.8Å; S1411-S1415 PolarHBondContact O-OG 3.18Å; S1411-Y1435 PolarHBondContact OG-O 3.39Å; S1411-F1437 WeakPolarHBondContact OG-CD2 3.15Å; S1411-F1437 PolarHBondContact OG-N 3.12Å; S1411-F1437 VanDerWaalsContact OG-N 3.13Å |
| 1412 | K | 78.7 | Confident | 66.4 | Low | 148 Ų | 148 | 66.3 Ų | 66.3 | 64% | 0.643 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.6 | -41.5 | 177.8 | -172.5 | 176.5 | 180 | 178.6 | 0 | 112.1 | N1409 M1410 Q1416 | N1409-K1412 HydrophobicContact CB-CB 4.17Å; N1409-K1412 PolarHBondContact O-N 3.45Å; N1409-K1412 PolarHBondContact OD1-N 3.33Å; M1410-K1412 VanDerWaalsContact C-N 3.33Å; M1410-K1412 PolarHBondContact O-N 2.89Å; K1412-Q1416 WeakPolarHBondContact O-CB 3.45Å; K1412-Q1416 PolarHBondContact O-N 2.82Å |
| 1413 | L | 73.7 | Confident | 67.7 | Low | 23 Ų | 23 | 67.1 Ų | 67.1 | 12% | 0.12 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.7 | -38.9 | -178.7 | -148.6 | 114.6 | 0 | 0 | 0 | 111.5 | P1408 N1409 M1410 S1411 Q1416 E1417 S1504 L1505 F1508 | P1408-L1413 HydrophobicContact CB-CD1 4.48Å; N1409-L1413 PolarHBondContact O-N 3.5Å; N1409-L1413 VanDerWaalsContact O-N 3.14Å; M1410-L1413 PolarHBondContact O-N 3.38Å; S1411-L1413 VanDerWaalsContact C-N 3.35Å; S1411-L1413 PolarHBondContact O-N 2.89Å; L1413-Q1416 PolarHBondContact O-N 2.8Å; L1413-E1417 PolarHBondContact O-N 2.82Å; L1413-E1417 VanDerWaalsContact O-N 3.08Å; L1413-S1504 VanDerWaalsContact CD2-CB 3.41Å; L1413-L1505 HydrophobicContact CD2-CD2 3.84Å; L1413-L1505 HydrophobicContact CD2-CG 3.88Å; L1413-L1505 HydrophobicContact CG-CD2 4.06Å; L1413-L1505 HydrophobicContact CG-CG 4.45Å; L1413-F1508 HydrophobicContact CB-CE2 3.99Å; L1413-F1508 HydrophobicContact CD2-CD2 3.84Å; L1413-F1508 HydrophobicContact CD2-CE2 3.62Å; L1413-F1508 HydrophobicContact CG-CE2 4.37Å |
| 1414 | Y | 72.4 | Confident | 68.9 | Low | 1 Ų | 1 | 66.9 Ų | 66.9 | 0% | 0.004 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.9 | -52.3 | 172.4 | 172.5 | -101.2 | 0 | 0 | 0 | 111.6 | M1410 S1411 Q1416 E1417 R1418 P1431 E1432 Y1435 F1437 F1508 F1513 | M1410-Y1414 WeakPolarHBondContact O-CB 3.29Å; M1410-Y1414 PolarHBondContact O-N 2.61Å; S1411-Y1414 PolarHBondContact O-N 2.91Å; Y1414-Q1416 VanDerWaalsContact C-N 3.27Å; Y1414-Q1416 PolarHBondContact O-N 3.38Å; Y1414-E1417 PolarHBondContact O-N 3.45Å; Y1414-R1418 VanDerWaalsContact O-CB 3.25Å; Y1414-R1418 WeakPolarHBondContact O-CB 3.04Å; Y1414-R1418 PolarHBondContact O-N 3.2Å; Y1414-P1431 WeakPolarHBondContact OH-CB 3.28Å; Y1414-E1432 VanDerWaalsContact CE1-O 3.32Å; Y1414-E1432 WeakPolarHBondContact CE1-O 3.46Å; Y1414-E1432 PolarHBondContact OH-O 3.29Å; Y1414-Y1435 AromaticContact CE1-CD2 3.85Å; Y1414-Y1435 HydrophobicContact CE1-CD2 3.85Å; Y1414-Y1435 HydrophobicContact CE1-CG 4.2Å; Y1414-Y1435 AromaticContact CZ-CD2 4Å; Y1414-F1437 AromaticContact CD1-CE2 3.98Å; Y1414-F1437 HydrophobicContact CD1-CE2 3.98Å; Y1414-F1437 HydrophobicContact CD1-CZ 4.42Å; Y1414-F1437 HydrophobicContact CD2-CE2 4.19Å; Y1414-F1437 AromaticContact CD2-CZ 3.84Å; Y1414-F1437 HydrophobicContact CD2-CZ 3.84Å; Y1414-F1437 AromaticContact CG-CE2 3.64Å; Y1414-F1437 HydrophobicContact CG-CE2 3.64Å; Y1414-F1437 AromaticContact CG-CZ 3.78Å; Y1414-F1437 HydrophobicContact CG-CZ 3.78Å; Y1414-F1508 AromaticContact CD2-CD1 3.61Å; Y1414-F1508 HydrophobicContact CD2-CD1 3.61Å; Y1414-F1508 AromaticContact CD2-CE1 3.56Å; Y1414-F1508 HydrophobicContact CD2-CE1 3.56Å; Y1414-F1508 HydrophobicContact CD2-CG 4.44Å; Y1414-F1508 HydrophobicContact CD2-CZ 4.37Å; Y1414-F1508 HydrophobicContact CG-CD1 4.43Å; Y1414-F1508 HydrophobicContact CG-CE1 4.09Å; Y1414-F1508 HydrophobicContact CG-CZ 4.5Å; Y1414-F1513 HydrophobicContact CD2-CE1 4.06Å; Y1414-F1513 AromaticContact CD2-CZ 3.79Å; Y1414-F1513 HydrophobicContact CD2-CZ 3.79Å; Y1414-F1513 HydrophobicContact CE2-CD1 4.44Å; Y1414-F1513 AromaticContact CE2-CE1 3.38Å; Y1414-F1513 HydrophobicContact CE2-CE1 3.38Å; Y1414-F1513 AromaticContact CE2-CZ 3.61Å; Y1414-F1513 HydrophobicContact CE2-CZ 3.61Å; Y1414-F1513 AromaticContact CZ-CE1 3.82Å |
| 1415 | S | 77.1 | Confident | 69.9 | Low | 34 Ų | 34 | 64 Ų | 64 | 24% | 0.238 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.2 | -36.7 | 179.8 | -51.7 | 0 | 0 | 0 | 0 | 112 | S1411 N1419 D1433 | S1411-S1415 PolarHBondContact O-N 2.8Å; S1411-S1415 PolarHBondContact O-OG 3.18Å; S1415-N1419 WeakPolarHBondContact O-CB 3.49Å; S1415-N1419 PolarHBondContact O-N 3.27Å; S1415-N1419 PolarHBondContact O-ND2 3.23Å; S1415-D1433 PolarHBondContact OG-O 2.97Å |
| 1416 | Q | 79.3 | Confident | 70.7 | Confident | 108 Ų | 108 | 63 Ų | 63 | 51% | 0.505 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.2 | -54 | 177.7 | -175 | 173.7 | -3.6 | 0 | 0 | 111.8 | K1412 L1413 Y1414 R1418 N1419 D1420 | K1412-Q1416 WeakPolarHBondContact O-CB 3.45Å; K1412-Q1416 PolarHBondContact O-N 2.82Å; L1413-Q1416 PolarHBondContact O-N 2.8Å; Y1414-Q1416 VanDerWaalsContact C-N 3.27Å; Y1414-Q1416 PolarHBondContact O-N 3.38Å; Q1416-R1418 VanDerWaalsContact C-N 3.32Å; Q1416-R1418 PolarHBondContact O-N 2.87Å; Q1416-N1419 PolarHBondContact O-N 2.8Å; Q1416-D1420 PolarHBondContact O-N 3.42Å; Q1416-D1420 VanDerWaalsContact O-N 3.13Å |
| 1417 | E | 73.9 | Confident | 70.8 | Confident | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.019 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.4 | -35.4 | -177.8 | -172.7 | 59.6 | -139.4 | 0 | 0 | 112 | L1413 Y1414 N1419 D1420 R1421 L1505 F1508 R1509 F1513 | L1413-E1417 PolarHBondContact O-N 2.82Å; L1413-E1417 VanDerWaalsContact O-N 3.08Å; Y1414-E1417 PolarHBondContact O-N 3.45Å; E1417-N1419 VanDerWaalsContact C-N 3.32Å; E1417-N1419 PolarHBondContact O-N 3.04Å; E1417-D1420 PolarHBondContact O-N 2.94Å; E1417-R1421 WeakPolarHBondContact O-CG 3.33Å; E1417-R1421 PolarHBondContact O-N 2.86Å; E1417-R1421 IonicContact OE1-NE 3.27Å; E1417-L1505 HydrophobicContact CB-CD2 4.28Å; E1417-L1505 WeakPolarHBondContact OE2-CD2 3.38Å; E1417-F1508 HydrophobicContact CB-CB 4.04Å; E1417-F1508 HydrophobicContact CG-CB 3.84Å; E1417-R1509 HydrophobicContact CG-CG 3.83Å; E1417-R1509 WeakPolarHBondContact OE1-CD 3.3Å; E1417-R1509 WeakPolarHBondContact OE1-CG 3.4Å; E1417-R1509 IonicContact OE1-CZ 3.69Å; E1417-R1509 IonicContact OE1-NE 3.04Å; E1417-R1509 PolarHBondContact OE1-NE 3.25Å; E1417-R1509 IonicContact OE1-NH2 3.58Å; E1417-R1509 IonicContact OE2-CZ 3.35Å; E1417-R1509 IonicContact OE2-NE 2.78Å; E1417-R1509 PolarHBondContact OE2-NE 2.78Å; E1417-R1509 IonicContact OE2-NH2 3.52Å; E1417-R1509 PolarHBondContact OE2-NH2 3.09Å; E1417-F1513 HydrophobicContact CB-CE2 4.05Å; E1417-F1513 HydrophobicContact CG-CD2 4.47Å; E1417-F1513 HydrophobicContact CG-CE2 3.88Å |
| 1418 | R | 75.7 | Confident | 70.8 | Confident | 41 Ų | 41 | 61.8 Ų | 61.8 | 16% | 0.155 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -54.4 | -49.3 | 171.8 | -176.2 | -171.5 | 173.4 | -99.3 | 5 | 111.5 | Y1414 Q1416 D1420 R1421 I1422 F1430 P1431 F1513 | Y1414-R1418 VanDerWaalsContact O-CB 3.25Å; Y1414-R1418 WeakPolarHBondContact O-CB 3.04Å; Y1414-R1418 PolarHBondContact O-N 3.2Å; Q1416-R1418 VanDerWaalsContact C-N 3.32Å; Q1416-R1418 PolarHBondContact O-N 2.87Å; R1418-D1420 VanDerWaalsContact C-N 3.33Å; R1418-D1420 PolarHBondContact O-N 3.29Å; R1418-R1421 PolarHBondContact O-N 3.08Å; R1418-I1422 HydrophobicContact CG-CD1 3.93Å; R1418-I1422 VanDerWaalsContact CZ-CD1 3.47Å; R1418-I1422 VanDerWaalsContact NH1-CD1 3.33Å; R1418-I1422 WeakPolarHBondContact O-CG1 3.48Å; R1418-I1422 PolarHBondContact O-N 2.92Å; R1418-F1430 HydrophobicContact CG-CB 4.3Å; R1418-P1431 PolarHBondContact NE-O 3.11Å; R1418-P1431 PolarHBondContact NH2-O 3.17Å; R1418-F1513 HydrophobicContact CB-CE1 3.7Å; R1418-F1513 HydrophobicContact CB-CE2 4.18Å; R1418-F1513 HydrophobicContact CB-CZ 3.38Å; R1418-F1513 HydrophobicContact CG-CE1 3.84Å; R1418-F1513 HydrophobicContact CG-CZ 4.06Å |
| 1419 | N | 79.5 | Confident | 70.6 | Confident | 71 Ų | 71 | 65.8 Ų | 65.8 | 38% | 0.38 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.7 | -36.8 | -177.4 | -71.7 | -25.8 | 0 | 0 | 0 | 111.7 | S1415 Q1416 E1417 K1423 | S1415-N1419 WeakPolarHBondContact O-CB 3.49Å; S1415-N1419 PolarHBondContact O-N 3.27Å; S1415-N1419 PolarHBondContact O-ND2 3.23Å; Q1416-N1419 PolarHBondContact O-N 2.8Å; E1417-N1419 VanDerWaalsContact C-N 3.32Å; E1417-N1419 PolarHBondContact O-N 3.04Å; N1419-K1423 WeakPolarHBondContact O-CG 3.3Å; N1419-K1423 PolarHBondContact O-N 3.16Å; N1419-K1423 VanDerWaalsContact O-N 3.1Å |
| 1420 | D | 77.1 | Confident | 70.3 | Confident | 66 Ų | 66 | 61.5 Ų | 61.5 | 35% | 0.353 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.6 | -37.3 | 174.9 | -69.1 | -20.6 | 0 | 0 | 0 | 111.8 | Q1416 E1417 R1418 K1423 A1424 | Q1416-D1420 PolarHBondContact O-N 3.42Å; Q1416-D1420 VanDerWaalsContact O-N 3.13Å; E1417-D1420 PolarHBondContact O-N 2.94Å; R1418-D1420 VanDerWaalsContact C-N 3.33Å; R1418-D1420 PolarHBondContact O-N 3.29Å; D1420-K1423 WeakPolarHBondContact O-CB 3.4Å; D1420-K1423 PolarHBondContact O-N 2.73Å; D1420-A1424 PolarHBondContact O-N 3.09Å |
| 1421 | R | 68.4 | Low | 70 | Confident | 34 Ų | 34 | 62 Ų | 62 | 13% | 0.128 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -72.5 | -38.5 | 175.6 | -74.6 | -75.8 | -178.5 | 142.3 | -7.8 | 113.3 | E1417 R1418 K1423 A1424 Y1425 F1430 R1509 E1510 F1513 | E1417-R1421 WeakPolarHBondContact O-CG 3.33Å; E1417-R1421 PolarHBondContact O-N 2.86Å; E1417-R1421 IonicContact OE1-NE 3.27Å; R1418-R1421 PolarHBondContact O-N 3.08Å; R1421-K1423 PolarHBondContact O-N 2.96Å; R1421-A1424 PolarHBondContact O-N 3.4Å; R1421-Y1425 PolarHBondContact O-N 3.02Å; R1421-F1430 HydrophobicContact CB-CD1 4.24Å; R1421-F1430 HydrophobicContact CB-CE1 3.55Å; R1421-F1430 HydrophobicContact CB-CZ 3.72Å; R1421-F1430 HydrophobicContact CG-CE1 4.44Å; R1421-F1430 WeakPolarHBondContact O-CZ 3.41Å; R1421-R1509 PolarHBondContact NH1-O 3.18Å; R1421-R1509 VanDerWaalsContact NH1-O 3.11Å; R1421-R1509 VanDerWaalsContact NH2-CB 3.34Å; R1421-R1509 PolarHBondContact NH2-O 2.93Å; R1421-E1510 IonicContact NH2-OE1 3.06Å; R1421-E1510 PolarHBondContact NH2-OE1 2.77Å; R1421-F1513 HydrophobicContact CB-CD2 4.48Å; R1421-F1513 HydrophobicContact CG-CD2 4.07Å |
| 1422 | I | 69.7 | Low | 69.7 | Low | 56 Ų | 56 | 65 Ų | 65 | 29% | 0.287 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -57.9 | -40 | 170.9 | -72.8 | 167.6 | 0 | 0 | 0 | 110.2 | R1418 Y1425 P1426 F1430 | R1418-I1422 HydrophobicContact CG-CD1 3.93Å; R1418-I1422 VanDerWaalsContact CZ-CD1 3.47Å; R1418-I1422 VanDerWaalsContact NH1-CD1 3.33Å; R1418-I1422 WeakPolarHBondContact O-CG1 3.48Å; R1418-I1422 PolarHBondContact O-N 2.92Å; I1422-Y1425 CarbonylContact O-C 3.59Å; I1422-P1426 VanDerWaalsContact O-CA 3.28Å; I1422-P1426 WeakPolarHBondContact O-CA 3.29Å; I1422-F1430 HydrophobicContact CB-CD2 4.28Å; I1422-F1430 HydrophobicContact CB-CE2 4.42Å; I1422-F1430 HydrophobicContact CD1-CB 4.33Å; I1422-F1430 HydrophobicContact CD1-CD2 4.38Å; I1422-F1430 HydrophobicContact CG1-CB 4.08Å; I1422-F1430 HydrophobicContact CG1-CD2 3.31Å; I1422-F1430 HydrophobicContact CG1-CE2 3.9Å; I1422-F1430 HydrophobicContact CG1-CG 3.83Å |
| 1423 | K | 73.9 | Confident | 69.5 | Low | 121 Ų | 121 | 62 Ų | 62 | 53% | 0.526 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66 | -45.8 | 175.3 | -73.7 | 174.3 | -176.9 | 175.7 | 0 | 112.4 | N1109 N1419 D1420 R1421 Y1425 | N1109-K1423 PolarHBondContact ND2-NZ 3.44Å; N1419-K1423 WeakPolarHBondContact O-CG 3.3Å; N1419-K1423 PolarHBondContact O-N 3.16Å; N1419-K1423 VanDerWaalsContact O-N 3.1Å; D1420-K1423 WeakPolarHBondContact O-CB 3.4Å; D1420-K1423 PolarHBondContact O-N 2.73Å; R1421-K1423 PolarHBondContact O-N 2.96Å; K1423-Y1425 VanDerWaalsContact C-N 3.32Å; K1423-Y1425 PolarHBondContact O-N 2.83Å |
| 1424 | A | 71.1 | Confident | 69.4 | Low | 57 Ų | 57 | 64.8 Ų | 64.8 | 47% | 0.471 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67 | -35 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1420 R1421 | D1420-A1424 PolarHBondContact O-N 3.09Å; R1421-A1424 PolarHBondContact O-N 3.4Å |
| 1425 | Y | 64.4 | Low | 69.2 | Low | 57 Ų | 57 | 65.7 Ų | 65.7 | 22% | 0.224 | 34% | 0.341 | C | S | . | . | trans | -135.4 | 68.7 | -171 | -48.1 | -57.9 | 0 | 0 | 0 | 111.6 | F1346 R1421 I1422 K1423 T1427 R1428 F1430 | F1346-Y1425 HydrophobicContact CD1-CD1 4.25Å; F1346-Y1425 HydrophobicContact CD1-CE1 4.38Å; F1346-Y1425 HydrophobicContact CD2-CE1 4.37Å; F1346-Y1425 AromaticContact CE1-CD1 3.18Å; F1346-Y1425 HydrophobicContact CE1-CD1 3.18Å; F1346-Y1425 AromaticContact CE1-CE1 3.38Å; F1346-Y1425 HydrophobicContact CE1-CE1 3.38Å; F1346-Y1425 AromaticContact CE1-CG 3.89Å; F1346-Y1425 HydrophobicContact CE1-CG 3.89Å; F1346-Y1425 HydrophobicContact CE2-CD1 4.09Å; F1346-Y1425 AromaticContact CE2-CE1 3.34Å; F1346-Y1425 HydrophobicContact CE2-CE1 3.34Å; F1346-Y1425 AromaticContact CE2-CZ 3.63Å; F1346-Y1425 AromaticContact CZ-CD1 3.14Å; F1346-Y1425 HydrophobicContact CZ-CD1 3.14Å; F1346-Y1425 HydrophobicContact CZ-CD2 4.19Å; F1346-Y1425 AromaticContact CZ-CE1 2.81Å; F1346-Y1425 HydrophobicContact CZ-CE1 2.81Å; F1346-Y1425 AromaticContact CZ-CE2 3.89Å; F1346-Y1425 HydrophobicContact CZ-CE2 3.89Å; F1346-Y1425 AromaticContact CZ-CG 3.84Å; F1346-Y1425 HydrophobicContact CZ-CG 3.84Å; F1346-Y1425 AromaticContact CZ-CZ 3.19Å; R1421-Y1425 PolarHBondContact O-N 3.02Å; I1422-Y1425 CarbonylContact O-C 3.59Å; K1423-Y1425 VanDerWaalsContact C-N 3.32Å; K1423-Y1425 PolarHBondContact O-N 2.83Å; Y1425-T1427 PolarHBondContact O-N 3.44Å; Y1425-R1428 PolarHBondContact O-N 3.34Å; Y1425-F1430 HydrophobicContact CD2-CZ 4.42Å; Y1425-F1430 WeakPolarHBondContact O-CE2 3.47Å | ||
| 1426 | P | 61.2 | Low | 68.8 | Low | 106 Ų | 106 | 66.8 Ų | 66.8 | 69% | 0.688 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -13.7 | -172 | 25.2 | -34.7 | 0 | 0 | 0 | 114.3 | I1422 | I1422-P1426 VanDerWaalsContact O-CA 3.28Å; I1422-P1426 WeakPolarHBondContact O-CA 3.29Å |
| 1427 | T | 57 | Low | 68.4 | Low | 100 Ų | 100 | 63.1 Ų | 63.1 | 61% | 0.613 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -10.6 | 176.1 | 54.8 | 0 | 0 | 0 | 0 | 113.6 | Y1425 | Y1425-T1427 PolarHBondContact O-N 3.44Š|
| 1428 | R | 56.6 | Low | 67.9 | Low | 76 Ų | 76 | 66.8 Ų | 66.8 | 29% | 0.287 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -83.5 | 142.7 | 176.1 | -91.3 | -177.1 | 158.3 | 175.7 | -8.3 | 110.6 | Y1425 F1430 D1517 | Y1425-R1428 PolarHBondContact O-N 3.34Å; R1428-F1430 HydrophobicContact CB-CD2 4.19Å; R1428-F1430 HydrophobicContact CB-CE1 4.42Å; R1428-F1430 HydrophobicContact CB-CE2 3.47Å; R1428-F1430 VanDerWaalsContact CB-CE2 3.47Å; R1428-F1430 HydrophobicContact CB-CZ 3.61Å; R1428-F1430 VanDerWaalsContact O-CD2 3.3Å; R1428-F1430 WeakPolarHBondContact O-CD2 3.38Å; R1428-F1430 WeakPolarHBondContact O-CE2 3.23Å; R1428-D1517 IonicContact CZ-OD2 2.71Å; R1428-D1517 IonicContact NE-OD2 3.34Å; R1428-D1517 PolarHBondContact NE-OD2 3.01Å; R1428-D1517 IonicContact NH2-OD2 3.17Å; R1428-D1517 PolarHBondContact NH2-OD2 3.46Å |
| 1429 | I | 57.5 | Low | 67.1 | Low | 124 Ų | 124 | 67.9 Ų | 67.9 | 64% | 0.636 | 36% | 0.359 | S | S | * | . | trans | -89 | 118.1 | 173.7 | -59.1 | 171.3 | 0 | 0 | 0 | 107 | ||||
| 1430 | F | 64.2 | Low | 66 | Low | 18 Ų | 18 | 68.1 Ų | 68.1 | 8% | 0.079 | 36% | 0.356 | C | S | . | . | trans | -105 | 148.2 | 177.1 | -64 | -85.1 | 0 | 0 | 0 | 109.7 | R1418 R1421 I1422 Y1425 R1428 F1513 | R1418-F1430 HydrophobicContact CG-CB 4.3Å; R1421-F1430 HydrophobicContact CB-CD1 4.24Å; R1421-F1430 HydrophobicContact CB-CE1 3.55Å; R1421-F1430 HydrophobicContact CB-CZ 3.72Å; R1421-F1430 HydrophobicContact CG-CE1 4.44Å; R1421-F1430 WeakPolarHBondContact O-CZ 3.41Å; I1422-F1430 HydrophobicContact CB-CD2 4.28Å; I1422-F1430 HydrophobicContact CB-CE2 4.42Å; I1422-F1430 HydrophobicContact CD1-CB 4.33Å; I1422-F1430 HydrophobicContact CD1-CD2 4.38Å; I1422-F1430 HydrophobicContact CG1-CB 4.08Å; I1422-F1430 HydrophobicContact CG1-CD2 3.31Å; I1422-F1430 HydrophobicContact CG1-CE2 3.9Å; I1422-F1430 HydrophobicContact CG1-CG 3.83Å; Y1425-F1430 HydrophobicContact CD2-CZ 4.42Å; Y1425-F1430 WeakPolarHBondContact O-CE2 3.47Å; R1428-F1430 HydrophobicContact CB-CD2 4.19Å; R1428-F1430 HydrophobicContact CB-CE1 4.42Å; R1428-F1430 HydrophobicContact CB-CE2 3.47Å; R1428-F1430 VanDerWaalsContact CB-CE2 3.47Å; R1428-F1430 HydrophobicContact CB-CZ 3.61Å; R1428-F1430 VanDerWaalsContact O-CD2 3.3Å; R1428-F1430 WeakPolarHBondContact O-CD2 3.38Å; R1428-F1430 WeakPolarHBondContact O-CE2 3.23Å; F1430-F1513 HydrophobicContact CD1-CB 3.79Å; F1430-F1513 AromaticContact CD1-CD1 3.9Å; F1430-F1513 HydrophobicContact CD1-CD1 3.9Å; F1430-F1513 AromaticContact CD1-CG 3.9Å; F1430-F1513 HydrophobicContact CD1-CG 3.9Å; F1430-F1513 HydrophobicContact CE1-CB 3.91Å; F1430-F1513 HydrophobicContact CE1-CG 4.31Å | ||
| 1431 | P | 64 | Low | 64.9 | Low | 24 Ų | 24 | 70.6 Ų | 70.6 | 16% | 0.156 | 38% | 0.378 | C | S | . | . | trans | -59.7 | 162.9 | 178.6 | -7.2 | 19.8 | 0 | 0 | 0 | 111.1 | Y1414 R1418 Y1435 F1513 | Y1414-P1431 WeakPolarHBondContact OH-CB 3.28Å; R1418-P1431 PolarHBondContact NE-O 3.11Å; R1418-P1431 PolarHBondContact NH2-O 3.17Å; P1431-Y1435 HydrophobicContact CB-CE2 4.08Å; P1431-F1513 HydrophobicContact CG-CD1 4.35Å | ||
| 1432 | E | 69.2 | Low | 64.5 | Low | 95 Ų | 95 | 71 Ų | 71 | 44% | 0.444 | 39% | 0.389 | S | S | . | . | trans | -61.6 | 161.8 | -178.9 | -63.9 | -178.6 | -161.9 | 0 | 0 | 112.4 | K1392 Y1414 N1434 Y1435 | K1392-E1432 IonicContact NZ-OE1 3.72Å; K1392-E1432 IonicContact NZ-OE2 2.74Å; K1392-E1432 PolarHBondContact NZ-OE2 3.11Å; Y1414-E1432 VanDerWaalsContact CE1-O 3.32Å; Y1414-E1432 WeakPolarHBondContact CE1-O 3.46Å; Y1414-E1432 PolarHBondContact OH-O 3.29Å; E1432-N1434 WeakPolarHBondContact CB-OD1 3.39Å; E1432-N1434 PolarHBondContact OE2-ND2 3.11Å; E1432-N1434 PolarHBondContact OE2-OD1 3.06Å; E1432-Y1435 HydrophobicContact CB-CE2 4.44Å; E1432-Y1435 WeakPolarHBondContact O-CD2 3.46Å; E1432-Y1435 VanDerWaalsContact O-CE2 3.31Å; E1432-Y1435 WeakPolarHBondContact O-CE2 3.36Å | ||
| 1433 | D | 73.3 | Confident | 64.3 | Low | 87 Ų | 87 | 69.3 Ų | 69.3 | 47% | 0.465 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -87.9 | -15 | -174.7 | 60.8 | -14.6 | 0 | 0 | 0 | 114.5 | S1415 Y1435 | S1415-D1433 PolarHBondContact OG-O 2.97Å; D1433-Y1435 PolarHBondContact O-N 2.75Å; D1433-Y1435 VanDerWaalsContact O-N 3.12Å |
| 1434 | N | 72.6 | Confident | 64 | Low | 81 Ų | 81 | 65.5 Ų | 65.5 | 43% | 0.433 | 37% | 0.365 | S | S | . | . | trans | -82.5 | 34.6 | -174 | 55.3 | -4.5 | 0 | 0 | 0 | 114.4 | K1392 E1432 | K1392-N1434 VanDerWaalsContact CD-OD1 3.32Å; K1392-N1434 WeakPolarHBondContact CD-OD1 3.39Å; K1392-N1434 PolarHBondContact NZ-ND2 3.29Å; E1432-N1434 WeakPolarHBondContact CB-OD1 3.39Å; E1432-N1434 PolarHBondContact OE2-ND2 3.11Å; E1432-N1434 PolarHBondContact OE2-OD1 3.06Å | ||
| 1435 | Y | 67.2 | Low | 63.8 | Low | 19 Ų | 19 | 67.6 Ų | 67.6 | 8% | 0.075 | 37% | 0.373 | C | S | . | . | trans | -84.6 | 123.7 | 177 | -77.8 | -108 | 0 | 0 | 0 | 112.2 | I1387 N1388 P1389 K1392 S1411 Y1414 P1431 E1432 D1433 | I1387-Y1435 HydrophobicContact CG2-CD1 3.76Å; I1387-Y1435 HydrophobicContact CG2-CE1 3.39Å; N1388-Y1435 WeakPolarHBondContact O-CE1 3.45Å; P1389-Y1435 VanDerWaalsContact CA-OH 3.3Å; P1389-Y1435 WeakPolarHBondContact CA-OH 3.23Å; K1392-Y1435 HydrophobicContact CB-CD1 4.26Å; K1392-Y1435 HydrophobicContact CB-CD2 4.48Å; K1392-Y1435 HydrophobicContact CB-CE1 4.43Å; K1392-Y1435 HydrophobicContact CB-CG 4.32Å; K1392-Y1435 CarbonylContact O-C 3.46Å; K1392-Y1435 WeakPolarHBondContact O-CA 3.44Å; S1411-Y1435 PolarHBondContact OG-O 3.39Å; Y1414-Y1435 AromaticContact CE1-CD2 3.85Å; Y1414-Y1435 HydrophobicContact CE1-CD2 3.85Å; Y1414-Y1435 HydrophobicContact CE1-CG 4.2Å; Y1414-Y1435 AromaticContact CZ-CD2 4Å; P1431-Y1435 HydrophobicContact CB-CE2 4.08Å; E1432-Y1435 HydrophobicContact CB-CE2 4.44Å; E1432-Y1435 WeakPolarHBondContact O-CD2 3.46Å; E1432-Y1435 VanDerWaalsContact O-CE2 3.31Å; E1432-Y1435 WeakPolarHBondContact O-CE2 3.36Å; D1433-Y1435 PolarHBondContact O-N 2.75Å; D1433-Y1435 VanDerWaalsContact O-N 3.12Å | ||
| 1436 | S | 69.9 | Low | 63.9 | Low | 58 Ų | 58 | 66 Ų | 66 | 41% | 0.406 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 128.9 | 173 | 52.9 | 0 | 0 | 0 | 0 | 110.6 | K1392 I1393 G1394 | K1392-S1436 PolarHBondContact O-N 3.37Å; K1392-S1436 PolarHBondContact O-OG 2.91Å; I1393-S1436 CarbonylContact C-O 3.44Å; I1393-S1436 VanDerWaalsContact CA-O 3.29Å; I1393-S1436 WeakPolarHBondContact CA-O 3.28Å; G1394-S1436 PolarHBondContact N-O 3.46Å |
| 1437 | F | 69.3 | Low | 64.5 | Low | 30 Ų | 30 | 61 Ų | 61 | 13% | 0.132 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 125.3 | -177.8 | -73.1 | -98 | 0 | 0 | 0 | 112.9 | I1387 G1394 V1396 M1410 S1411 Y1414 F1508 | I1387-F1437 HydrophobicContact CG1-CE1 4.21Å; G1394-F1437 CarbonylContact O-C 3.4Å; G1394-F1437 WeakPolarHBondContact O-CA 3.42Å; V1396-F1437 HydrophobicContact CG2-CD1 4.04Å; M1410-F1437 HydrophobicContact CB-CB 3.6Å; M1410-F1437 HydrophobicContact CB-CD1 4.26Å; M1410-F1437 HydrophobicContact CB-CD2 4.45Å; M1410-F1437 HydrophobicContact CB-CG 3.86Å; S1411-F1437 WeakPolarHBondContact OG-CD2 3.15Å; S1411-F1437 PolarHBondContact OG-N 3.12Å; S1411-F1437 VanDerWaalsContact OG-N 3.13Å; Y1414-F1437 AromaticContact CD1-CE2 3.98Å; Y1414-F1437 HydrophobicContact CD1-CE2 3.98Å; Y1414-F1437 HydrophobicContact CD1-CZ 4.42Å; Y1414-F1437 HydrophobicContact CD2-CE2 4.19Å; Y1414-F1437 AromaticContact CD2-CZ 3.84Å; Y1414-F1437 HydrophobicContact CD2-CZ 3.84Å; Y1414-F1437 AromaticContact CG-CE2 3.64Å; Y1414-F1437 HydrophobicContact CG-CE2 3.64Å; Y1414-F1437 AromaticContact CG-CZ 3.78Å; Y1414-F1437 HydrophobicContact CG-CZ 3.78Å; F1437-F1508 HydrophobicContact CE1-CE1 4Å; F1437-F1508 HydrophobicContact CE1-CZ 4.29Å; F1437-F1508 AromaticContact CZ-CE1 3.8Å; F1437-F1508 HydrophobicContact CZ-CE1 3.8Å; F1437-F1508 HydrophobicContact CZ-CZ 4.18Å |
| 1438 | E | 64.2 | Low | 65.3 | Low | 82 Ų | 82 | 57.3 Ų | 57.3 | 38% | 0.383 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 133.1 | 179.3 | -67.1 | 179.9 | 159 | 0 | 0 | 112 | I1393 G1394 A1395 V1396 Y1440 | I1393-E1438 HydrophobicContact CG2-CG 4.43Å; G1394-E1438 PolarHBondContact O-N 2.7Å; A1395-E1438 CarbonylContact C-O 3.54Å; A1395-E1438 WeakPolarHBondContact CA-O 3.41Å; A1395-E1438 WeakPolarHBondContact CB-O 3.46Å; V1396-E1438 PolarHBondContact N-O 2.88Å; E1438-Y1440 HydrophobicContact CB-CD2 3.95Å; E1438-Y1440 HydrophobicContact CB-CE2 3.39Å; E1438-Y1440 HydrophobicContact CG-CE2 4.36Å; E1438-Y1440 WeakPolarHBondContact OE2-CE2 3.2Å; E1438-Y1440 PolarHBondContact OE2-OH 3.4Å |
| 1439 | V | 59.6 | Low | 66.1 | Low | 63 Ų | 63 | 59 Ų | 59 | 38% | 0.382 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 119.6 | 179.5 | 179.6 | 0 | 0 | 0 | 0 | 109.3 | V1396 L1404 | V1396-V1439 WeakPolarHBondContact O-CA 3.35Å; V1396-V1439 WeakPolarHBondContact O-CG1 3.45Å; L1404-V1439 HydrophobicContact CD2-CG1 4.5Å |
| 1440 | Y | 55.1 | Low | 66.9 | Low | 77 Ų | 77 | 53.7 Ų | 53.7 | 30% | 0.302 | 30% | 0.302 | S | S | . | . | trans | -120.4 | 152.4 | -172 | -78.1 | -81.6 | 0 | 0 | 0 | 111.4 | A1395 W1397 E1438 | A1395-Y1440 HydrophobicContact CB-CD2 3.84Å; A1395-Y1440 HydrophobicContact CB-CE2 4.08Å; W1397-Y1440 AromaticContact NE1-CG 3.96Å; E1438-Y1440 HydrophobicContact CB-CD2 3.95Å; E1438-Y1440 HydrophobicContact CB-CE2 3.39Å; E1438-Y1440 HydrophobicContact CG-CE2 4.36Å; E1438-Y1440 WeakPolarHBondContact OE2-CE2 3.2Å; E1438-Y1440 PolarHBondContact OE2-OH 3.4Å | ||
| 1441 | S | 55.5 | Low | 67.5 | Low | 117 Ų | 117 | 57 Ų | 57 | 82% | 0.818 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -89.5 | -19.7 | 179.4 | 57.9 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1442 | A | 59.9 | Low | 68.2 | Low | 44 Ų | 44 | 59.7 Ų | 59.7 | 36% | 0.364 | 34% | 0.337 | S | S | . | . | trans | -143.2 | 108.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113 | N1444 V1445 | A1442-N1444 VanDerWaalsContact C-N 3.35Å; A1442-N1444 PolarHBondContact O-N 2.85Å; A1442-V1445 HydrophobicContact CB-CG2 4.14Å; A1442-V1445 PolarHBondContact O-N 3.28Å | ||
| 1443 | L | 65.1 | Low | 68.6 | Low | 19 Ų | 19 | 59.6 Ų | 59.6 | 10% | 0.099 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.4 | -37.8 | -178.4 | 179.5 | 56 | 0 | 0 | 0 | 113.7 | L1368 W1384 W1397 V1445 A1446 L1447 F1478 | L1368-L1443 HydrophobicContact CD2-CD1 3.76Å; L1368-L1443 HydrophobicContact CD2-CD2 4.38Å; W1384-L1443 HydrophobicContact CB-CD2 4.43Å; W1384-L1443 HydrophobicContact CD2-CD2 4.06Å; W1384-L1443 HydrophobicContact CE3-CD2 3.78Å; W1384-L1443 HydrophobicContact CG-CD2 4.35Å; W1384-L1443 HydrophobicContact CZ3-CD2 4.39Å; W1397-L1443 HydrophobicContact CD2-CB 4.4Å; W1397-L1443 HydrophobicContact CD2-CD1 3.8Å; W1397-L1443 HydrophobicContact CE3-CD1 3.74Å; W1397-L1443 HydrophobicContact CG-CB 4.43Å; W1397-L1443 HydrophobicContact CH2-CD1 3.39Å; W1397-L1443 HydrophobicContact CZ2-CD1 3.5Å; W1397-L1443 HydrophobicContact CZ3-CD1 3.5Å; W1397-L1443 VanDerWaalsContact CZ3-CD1 3.5Å; L1443-V1445 VanDerWaalsContact C-N 3.32Å; L1443-V1445 PolarHBondContact O-N 3.15Å; L1443-A1446 PolarHBondContact O-N 2.67Å; L1443-L1447 HydrophobicContact CD1-CD1 4.38Å; L1443-L1447 HydrophobicContact CG-CD1 4.34Å; L1443-L1447 PolarHBondContact O-N 2.57Å; L1443-L1447 VanDerWaalsContact O-N 3.17Å; L1443-F1478 HydrophobicContact CD2-CE2 4.16Å; L1443-F1478 HydrophobicContact CD2-CZ 3.52Å; L1443-F1478 HydrophobicContact CG-CE2 4.12Å; L1443-F1478 HydrophobicContact CG-CZ 3.79Å |
| 1444 | N | 67.9 | Low | 68.5 | Low | 41 Ų | 41 | 64.4 Ų | 64.4 | 22% | 0.219 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.8 | -34.3 | -179.3 | -174.6 | 58.8 | 0 | 0 | 0 | 113.6 | A1442 G1448 G1475 P1476 S1477 | A1442-N1444 VanDerWaalsContact C-N 3.35Å; A1442-N1444 PolarHBondContact O-N 2.85Å; N1444-G1448 PolarHBondContact O-N 3.28Å; N1444-G1448 VanDerWaalsContact O-N 3.15Å; N1444-G1475 VanDerWaalsContact OD1-CA 3.26Å; N1444-G1475 WeakPolarHBondContact OD1-CA 3.36Å; N1444-P1476 WeakPolarHBondContact OD1-CD 3.41Å; N1444-S1477 VanDerWaalsContact O-CB 3.24Å; N1444-S1477 WeakPolarHBondContact O-CB 3.37Å; N1444-S1477 PolarHBondContact O-OG 3.44Å; N1444-S1477 WeakPolarHBondContact OD1-CB 3.48Å; N1444-S1477 PolarHBondContact OD1-N 3.1Å; N1444-S1477 PolarHBondContact OD1-OG 3.36Å; N1444-S1477 VanDerWaalsContact OD1-OG 3.06Å |
| 1445 | V | 66.8 | Low | 68.4 | Low | 102 Ų | 102 | 63.6 Ų | 63.6 | 62% | 0.618 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -71.2 | -40.9 | 179.3 | 178 | 0 | 0 | 0 | 0 | 110.7 | A1442 L1443 G1448 K1449 | A1442-V1445 HydrophobicContact CB-CG2 4.14Å; A1442-V1445 PolarHBondContact O-N 3.28Å; L1443-V1445 VanDerWaalsContact C-N 3.32Å; L1443-V1445 PolarHBondContact O-N 3.15Å; V1445-G1448 PolarHBondContact O-N 3.1Å; V1445-K1449 WeakPolarHBondContact O-CB 3.36Å; V1445-K1449 PolarHBondContact O-N 3.28Å |
| 1446 | A | 66.9 | Low | 68.5 | Low | 23 Ų | 23 | 64.9 Ų | 64.9 | 19% | 0.19 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.7 | -43 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | W1397 L1443 G1448 K1449 Y1450 | W1397-A1446 HydrophobicContact CZ2-CB 3.78Å; L1443-A1446 PolarHBondContact O-N 2.67Å; A1446-G1448 VanDerWaalsContact C-N 3.34Å; A1446-G1448 PolarHBondContact O-N 3.43Å; A1446-K1449 PolarHBondContact O-N 3.32Å; A1446-Y1450 WeakPolarHBondContact O-CB 3.39Å; A1446-Y1450 PolarHBondContact O-N 2.85Å |
| 1447 | L | 71.7 | Confident | 68.5 | Low | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 174 | -77.6 | 170.6 | 0 | 0 | 0 | 112.1 | L1366 L1368 L1443 K1449 Y1450 H1451 F1478 F1481 | L1366-L1447 HydrophobicContact CD2-CD2 3.26Å; L1368-L1447 HydrophobicContact CD1-CD1 4.42Å; L1443-L1447 HydrophobicContact CD1-CD1 4.38Å; L1443-L1447 HydrophobicContact CG-CD1 4.34Å; L1443-L1447 PolarHBondContact O-N 2.57Å; L1443-L1447 VanDerWaalsContact O-N 3.17Å; L1447-K1449 VanDerWaalsContact C-N 3.35Å; L1447-Y1450 PolarHBondContact O-N 3.49Å; L1447-H1451 PolarHBondContact O-N 3.38Å; L1447-F1478 HydrophobicContact CD1-CD1 3.65Å; L1447-F1478 HydrophobicContact CD1-CD2 3.76Å; L1447-F1478 HydrophobicContact CD1-CE1 3.52Å; L1447-F1478 HydrophobicContact CD1-CE2 3.59Å; L1447-F1478 HydrophobicContact CD1-CG 3.81Å; L1447-F1478 HydrophobicContact CD1-CZ 3.49Å; L1447-F1478 VanDerWaalsContact CD1-CZ 3.49Å; L1447-F1481 HydrophobicContact CB-CE2 4.48Å; L1447-F1481 HydrophobicContact CD2-CE2 4.23Å |
| 1448 | G | 74 | Confident | 68.7 | Low | 22 Ų | 22 | 62 Ų | 62 | 23% | 0.227 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N1444 V1445 A1446 H1451 S1452 S1477 | N1444-G1448 PolarHBondContact O-N 3.28Å; N1444-G1448 VanDerWaalsContact O-N 3.15Å; V1445-G1448 PolarHBondContact O-N 3.1Å; A1446-G1448 VanDerWaalsContact C-N 3.34Å; A1446-G1448 PolarHBondContact O-N 3.43Å; G1448-H1451 PolarHBondContact O-N 3.43Å; G1448-S1452 PolarHBondContact O-N 3.3Å; G1448-S1477 WeakPolarHBondContact CA-OG 3.25Å; G1448-S1477 PolarHBondContact N-OG 2.89Å |
| 1449 | K | 74.6 | Confident | 69 | Low | 111 Ų | 111 | 58.4 Ų | 58.4 | 48% | 0.483 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.3 | -48.3 | 174.8 | -171.4 | -177 | 176.6 | -168.9 | 0 | 111.5 | V1445 A1446 L1447 H1451 S1452 E1453 | V1445-K1449 WeakPolarHBondContact O-CB 3.36Å; V1445-K1449 PolarHBondContact O-N 3.28Å; A1446-K1449 PolarHBondContact O-N 3.32Å; L1447-K1449 VanDerWaalsContact C-N 3.35Å; K1449-H1451 VanDerWaalsContact C-N 3.29Å; K1449-H1451 PolarHBondContact O-N 2.91Å; K1449-S1452 WeakPolarHBondContact CA-OG 3.36Å; K1449-S1452 PolarHBondContact O-N 2.98Å; K1449-S1452 PolarHBondContact O-OG 3.41Å; K1449-E1453 WeakPolarHBondContact CE-OE1 3.33Å; K1449-E1453 WeakPolarHBondContact O-CG 3.49Å; K1449-E1453 PolarHBondContact O-N 3.42Å; K1449-E1453 VanDerWaalsContact O-N 3.1Å |
| 1450 | Y | 74.4 | Confident | 69.7 | Low | 12 Ų | 12 | 55.4 Ų | 55.4 | 5% | 0.047 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.1 | -41.6 | 177.2 | 178.6 | -90 | 0 | 0 | 0 | 111.9 | A1364 L1366 N1388 A1446 L1447 E1453 H1455 T1458 F1481 | A1364-Y1450 WeakPolarHBondContact CB-OH 3.34Å; L1366-Y1450 HydrophobicContact CD1-CD1 4.18Å; L1366-Y1450 HydrophobicContact CD1-CD2 4.35Å; L1366-Y1450 HydrophobicContact CD1-CE1 4.04Å; L1366-Y1450 HydrophobicContact CD1-CE2 4.18Å; L1366-Y1450 HydrophobicContact CD1-CG 4.34Å; N1388-Y1450 WeakPolarHBondContact ND2-CE2 3.24Å; A1446-Y1450 WeakPolarHBondContact O-CB 3.39Å; A1446-Y1450 PolarHBondContact O-N 2.85Å; L1447-Y1450 PolarHBondContact O-N 3.49Å; Y1450-E1453 PolarHBondContact O-N 2.99Å; Y1450-H1455 AromaticContact CD2-CD2 3.44Å; Y1450-H1455 VanDerWaalsContact CD2-CD2 3.44Å; Y1450-H1455 WeakPolarHBondContact CD2-CD2 3.45Å; Y1450-H1455 AromaticContact CD2-NE2 3.96Å; Y1450-H1455 HydrophobicContact CE1-CB 4.41Å; Y1450-H1455 HydrophobicContact CE2-CB 3.93Å; Y1450-H1455 AromaticContact CE2-CD2 3.26Å; Y1450-H1455 WeakPolarHBondContact CE2-CD2 2.99Å; Y1450-H1455 AromaticContact CE2-CG 3.67Å; Y1450-H1455 AromaticContact CE2-NE2 4Å; Y1450-H1455 AromaticContact CZ-CD2 3.83Å; Y1450-H1455 AromaticContact CZ-CG 3.99Å; Y1450-H1455 PolarHBondContact O-CD2 3.36Å; Y1450-H1455 WeakPolarHBondContact OH-CB 3.34Å; Y1450-T1458 HydrophobicContact CE1-CG2 3.56Å; Y1450-T1458 WeakPolarHBondContact CE1-OG1 3.33Å; Y1450-T1458 PolarHBondContact OH-OG1 3.36Å; Y1450-F1481 AromaticContact CD1-CE1 3.89Å; Y1450-F1481 HydrophobicContact CD1-CE1 3.89Å; Y1450-F1481 AromaticContact CD1-CZ 3.66Å; Y1450-F1481 HydrophobicContact CD1-CZ 3.66Å; Y1450-F1481 AromaticContact CE1-CE1 3.96Å; Y1450-F1481 HydrophobicContact CE1-CE1 3.96Å; Y1450-F1481 HydrophobicContact CE1-CZ 4.21Å |
| 1451 | H | 76.9 | Confident | 70.3 | Confident | 87 Ų | 87 | 52 Ų | 52 | 40% | 0.403 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 173.7 | -169 | 71.3 | 0 | 0 | 0 | 112 | L1447 G1448 K1449 E1453 K1454 L1480 F1481 | L1447-H1451 PolarHBondContact O-N 3.38Å; G1448-H1451 PolarHBondContact O-N 3.43Å; K1449-H1451 VanDerWaalsContact C-N 3.29Å; K1449-H1451 PolarHBondContact O-N 2.91Å; H1451-E1453 PolarHBondContact O-N 3.16Å; H1451-K1454 PolarHBondContact O-N 3.26Å; H1451-K1454 VanDerWaalsContact O-N 3.14Å; H1451-L1480 HydrophobicContact CB-CD1 3.85Å; H1451-F1481 HydrophobicContact CB-CE1 4.38Å; H1451-F1481 HydrophobicContact CB-CE2 4.14Å; H1451-F1481 HydrophobicContact CB-CZ 3.55Å; H1451-F1481 AromaticContact ND1-CE1 3.8Å; H1451-F1481 AromaticContact ND1-CZ 3.75Å |
| 1452 | S | 77.4 | Confident | 70.9 | Confident | 82 Ų | 82 | 46.5 Ų | 46.5 | 57% | 0.573 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -64 | -26 | -178.3 | 73.4 | 0 | 0 | 0 | 0 | 114 | G1448 K1449 K1454 | G1448-S1452 PolarHBondContact O-N 3.3Å; K1449-S1452 WeakPolarHBondContact CA-OG 3.36Å; K1449-S1452 PolarHBondContact O-N 2.98Å; K1449-S1452 PolarHBondContact O-OG 3.41Å; S1452-K1454 VanDerWaalsContact C-N 3.26Å; S1452-K1454 PolarHBondContact O-N 2.74Å |
| 1453 | E | 78.1 | Confident | 71 | Confident | 93 Ų | 93 | 45.3 Ų | 45.3 | 44% | 0.435 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -6.5 | 178.4 | -71.2 | 172.7 | -177 | 0 | 0 | 113.4 | K1449 Y1450 H1451 H1455 | K1449-E1453 WeakPolarHBondContact CE-OE1 3.33Å; K1449-E1453 WeakPolarHBondContact O-CG 3.49Å; K1449-E1453 PolarHBondContact O-N 3.42Å; K1449-E1453 VanDerWaalsContact O-N 3.1Å; Y1450-E1453 PolarHBondContact O-N 2.99Å; H1451-E1453 PolarHBondContact O-N 3.16Å; E1453-H1455 VanDerWaalsContact CB-NE2 3.3Å; E1453-H1455 WeakPolarHBondContact CB-NE2 3.33Å; E1453-H1455 PolarHBondContact O-N 3.07Å; E1453-H1455 IonicContact OE2-CD2 3.14Å; E1453-H1455 IonicContact OE2-CE1 2.63Å; E1453-H1455 IonicContact OE2-NE2 2.67Å; E1453-H1455 PolarHBondContact OE2-NE2 3.21Å |
| 1454 | K | 72.1 | Confident | 71 | Confident | 187 Ų | 187 | 45 Ų | 45 | 81% | 0.813 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 50.3 | 174.5 | -61.3 | -173 | 178.1 | -176.3 | 0 | 114.4 | H1451 S1452 G1456 | H1451-K1454 PolarHBondContact O-N 3.26Å; H1451-K1454 VanDerWaalsContact O-N 3.14Å; S1452-K1454 VanDerWaalsContact C-N 3.26Å; S1452-K1454 PolarHBondContact O-N 2.74Å; K1454-G1456 PolarHBondContact O-N 3.17Å |
| 1455 | H | 69 | Low | 70.6 | Confident | 64 Ų | 64 | 46.6 Ų | 46.6 | 30% | 0.296 | 26% | 0.262 | S | S | . | . | trans | -66.7 | 13.7 | 177.4 | -69 | -72 | 0 | 0 | 0 | 115.8 | Y1450 E1453 | Y1450-H1455 AromaticContact CD2-CD2 3.44Å; Y1450-H1455 VanDerWaalsContact CD2-CD2 3.44Å; Y1450-H1455 WeakPolarHBondContact CD2-CD2 3.45Å; Y1450-H1455 AromaticContact CD2-NE2 3.96Å; Y1450-H1455 HydrophobicContact CE1-CB 4.41Å; Y1450-H1455 HydrophobicContact CE2-CB 3.93Å; Y1450-H1455 AromaticContact CE2-CD2 3.26Å; Y1450-H1455 WeakPolarHBondContact CE2-CD2 2.99Å; Y1450-H1455 AromaticContact CE2-CG 3.67Å; Y1450-H1455 AromaticContact CE2-NE2 4Å; Y1450-H1455 AromaticContact CZ-CD2 3.83Å; Y1450-H1455 AromaticContact CZ-CG 3.99Å; Y1450-H1455 PolarHBondContact O-CD2 3.36Å; Y1450-H1455 WeakPolarHBondContact OH-CB 3.34Å; E1453-H1455 VanDerWaalsContact CB-NE2 3.3Å; E1453-H1455 WeakPolarHBondContact CB-NE2 3.33Å; E1453-H1455 PolarHBondContact O-N 3.07Å; E1453-H1455 IonicContact OE2-CD2 3.14Å; E1453-H1455 IonicContact OE2-CE1 2.63Å; E1453-H1455 IonicContact OE2-NE2 2.67Å; E1453-H1455 PolarHBondContact OE2-NE2 3.21Å | ||
| 1456 | G | 70.6 | Confident | 70.5 | Confident | 46 Ų | 46 | 44.2 Ų | 44.2 | 47% | 0.474 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 81.2 | -170.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | K1454 T1458 | K1454-G1456 PolarHBondContact O-N 3.17Å; G1456-T1458 PolarHBondContact O-N 3.21Å; G1456-T1458 PolarHBondContact O-OG1 3.36Å; G1456-T1458 VanDerWaalsContact O-OG1 3.13Å |
| 1457 | P | 69.2 | Low | 70.5 | Confident | 23 Ų | 23 | 47.4 Ų | 47.4 | 15% | 0.149 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -50.2 | 124.7 | 178 | -26.9 | 33.8 | 0 | 0 | 0 | 111.7 | N1201 L1203 P1362 I1363 A1364 | N1201-P1457 WeakPolarHBondContact O-CG 3.27Å; L1203-P1457 HydrophobicContact CB-CB 3.67Å; L1203-P1457 HydrophobicContact CB-CG 4.23Å; L1203-P1457 HydrophobicContact CD2-CB 4.37Å; P1362-P1457 WeakPolarHBondContact O-CD 3.41Å; P1362-P1457 WeakPolarHBondContact O-CG 3.45Å; I1363-P1457 CarbonylContact C-O 3.45Å; I1363-P1457 VanDerWaalsContact CA-O 3.25Å; I1363-P1457 WeakPolarHBondContact CA-O 3.34Å; A1364-P1457 PolarHBondContact N-O 3.49Å |
| 1458 | T | 72.9 | Confident | 70.3 | Confident | 5 Ų | 5 | 48.7 Ų | 48.7 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 134.3 | -178.8 | -57.5 | 0 | 0 | 0 | 0 | 110.6 | L1203 A1364 L1366 Y1450 G1456 F1481 P1482 | L1203-T1458 WeakPolarHBondContact CD2-O 3.34Å; A1364-T1458 HydrophobicContact CB-CG2 4.29Å; A1364-T1458 VanDerWaalsContact O-CA 3.27Å; A1364-T1458 WeakPolarHBondContact O-CA 3.35Å; A1364-T1458 VanDerWaalsContact O-CG2 3.31Å; A1364-T1458 WeakPolarHBondContact O-CG2 3.12Å; L1366-T1458 HydrophobicContact CD1-CG2 4.4Å; Y1450-T1458 HydrophobicContact CE1-CG2 3.56Å; Y1450-T1458 WeakPolarHBondContact CE1-OG1 3.33Å; Y1450-T1458 PolarHBondContact OH-OG1 3.36Å; G1456-T1458 PolarHBondContact O-N 3.21Å; G1456-T1458 PolarHBondContact O-OG1 3.36Å; G1456-T1458 VanDerWaalsContact O-OG1 3.13Å; T1458-F1481 HydrophobicContact CG2-CD1 4.05Å; T1458-F1481 HydrophobicContact CG2-CE1 4.19Å; T1458-P1482 WeakPolarHBondContact O-CD 3.48Å |
| 1459 | I | 72 | Confident | 70 | Confident | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 138.6 | 169.6 | -61.6 | 174.7 | 0 | 0 | 0 | 108.8 | I1363 A1364 L1366 Y1461 P1482 V1484 | I1363-I1459 HydrophobicContact CD1-CD1 4.48Å; I1363-I1459 HydrophobicContact CG2-CB 4.27Å; I1363-I1459 HydrophobicContact CG2-CD1 4.02Å; I1363-I1459 HydrophobicContact CG2-CG1 3.84Å; A1364-I1459 PolarHBondContact O-N 3.2Å; L1366-I1459 PolarHBondContact N-O 3.49Å; I1459-Y1461 HydrophobicContact CB-CE2 4.11Å; I1459-Y1461 HydrophobicContact CG2-CD2 4.15Å; I1459-Y1461 HydrophobicContact CG2-CE2 3.63Å; I1459-P1482 HydrophobicContact CG1-CB 4.49Å; I1459-P1482 HydrophobicContact CG1-CG 4.12Å; I1459-V1484 HydrophobicContact CG2-CG2 3.61Å |
| 1460 | V | 72.9 | Confident | 69.6 | Low | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 113.1 | 180 | 176.8 | 0 | 0 | 0 | 0 | 109.6 | L1366 L1368 F1481 P1482 L1483 V1484 | L1366-V1460 HydrophobicContact CB-CB 4.16Å; L1366-V1460 HydrophobicContact CB-CG1 4.22Å; L1366-V1460 HydrophobicContact CB-CG2 3.74Å; L1366-V1460 HydrophobicContact CD2-CG1 4.25Å; L1366-V1460 HydrophobicContact CD2-CG2 3.84Å; L1366-V1460 HydrophobicContact CG-CG2 4.42Å; L1366-V1460 CarbonylContact O-C 3.48Å; L1366-V1460 WeakPolarHBondContact O-CA 3.25Å; L1368-V1460 HydrophobicContact CD1-CG1 3.56Å; L1368-V1460 HydrophobicContact CG-CG1 4.18Å; V1460-F1481 HydrophobicContact CB-CB 4.46Å; V1460-F1481 HydrophobicContact CG2-CB 3.57Å; V1460-F1481 HydrophobicContact CG2-CD1 4.44Å; V1460-F1481 HydrophobicContact CG2-CD2 4.17Å; V1460-F1481 HydrophobicContact CG2-CG 3.82Å; V1460-P1482 PolarHBondContact N-O 3.31Å; V1460-L1483 HydrophobicContact CB-CD2 3.81Å; V1460-L1483 HydrophobicContact CG1-CD2 3.69Å; V1460-L1483 CarbonylContact O-C 3.5Å; V1460-L1483 WeakPolarHBondContact O-CA 3.29Å; V1460-V1484 PolarHBondContact O-N 2.77Å |
| 1461 | Y | 68.8 | Low | 69.3 | Low | 6 Ų | 6 | 51.4 Ų | 51.4 | 2% | 0.024 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 136.7 | 172.2 | -66.8 | -96.5 | 0 | 0 | 0 | 109.6 | L1365 L1366 G1367 L1368 I1459 V1484 L1486 I1533 | L1365-Y1461 HydrophobicContact CD2-CD2 4.13Å; L1365-Y1461 HydrophobicContact CD2-CE2 3.41Å; L1365-Y1461 VanDerWaalsContact CD2-CE2 3.41Å; L1366-Y1461 PolarHBondContact O-N 3.41Å; G1367-Y1461 CarbonylContact C-O 3.49Å; G1367-Y1461 VanDerWaalsContact CA-O 3.27Å; G1367-Y1461 WeakPolarHBondContact CA-O 3.41Å; L1368-Y1461 PolarHBondContact N-O 3.05Å; I1459-Y1461 HydrophobicContact CB-CE2 4.11Å; I1459-Y1461 HydrophobicContact CG2-CD2 4.15Å; I1459-Y1461 HydrophobicContact CG2-CE2 3.63Å; Y1461-V1484 CarbonylContact C-O 3.55Å; Y1461-V1484 VanDerWaalsContact CA-O 3.26Å; Y1461-V1484 WeakPolarHBondContact CA-O 3.5Å; Y1461-V1484 HydrophobicContact CD1-CB 3.69Å; Y1461-V1484 HydrophobicContact CD1-CG1 3.55Å; Y1461-V1484 HydrophobicContact CD1-CG2 4.4Å; Y1461-V1484 HydrophobicContact CE1-CB 3.93Å; Y1461-V1484 HydrophobicContact CE1-CG1 3.62Å; Y1461-V1484 HydrophobicContact CE1-CG2 4.22Å; Y1461-V1484 HydrophobicContact CG-CB 4.26Å; Y1461-L1486 HydrophobicContact CD1-CD1 3.75Å; Y1461-L1486 HydrophobicContact CD1-CD2 4.03Å; Y1461-L1486 HydrophobicContact CD1-CG 3.87Å; Y1461-L1486 HydrophobicContact CG-CD1 4.2Å; Y1461-I1533 HydrophobicContact CE1-CD1 4.13Å; Y1461-I1533 HydrophobicContact CE1-CG1 4.42Å; Y1461-I1533 WeakPolarHBondContact OH-CD1 3.35Å |
| 1462 | F | 67 | Low | 68.9 | Low | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 144 | 175.9 | 77.6 | -86.8 | 0 | 0 | 0 | 113.4 | L1368 A1464 T1468 V1471 L1483 V1484 K1485 L1486 | L1368-F1462 HydrophobicContact CB-CB 3.89Å; L1368-F1462 CarbonylContact O-C 3.55Å; L1368-F1462 WeakPolarHBondContact O-CA 3.15Å; L1368-F1462 VanDerWaalsContact O-CB 3.27Å; L1368-F1462 WeakPolarHBondContact O-CB 3.48Å; F1462-A1464 HydrophobicContact CD2-CB 3.88Å; F1462-A1464 HydrophobicContact CE2-CB 4.25Å; F1462-T1468 HydrophobicContact CE1-CG2 4.15Å; F1462-T1468 HydrophobicContact CZ-CG2 4.45Å; F1462-V1471 HydrophobicContact CD2-CG2 4.08Å; F1462-V1471 HydrophobicContact CE2-CG2 3.72Å; F1462-V1471 HydrophobicContact CZ-CG2 3.96Å; F1462-L1483 HydrophobicContact CD1-CB 4.48Å; F1462-L1483 HydrophobicContact CE1-CB 4.31Å; F1462-V1484 WeakPolarHBondContact CD1-O 3.39Å; F1462-V1484 PolarHBondContact N-O 2.91Å; F1462-K1485 HydrophobicContact CD1-CB 4.44Å; F1462-K1485 HydrophobicContact CD2-CG 4.43Å; F1462-K1485 HydrophobicContact CE1-CB 3.71Å; F1462-K1485 HydrophobicContact CE1-CG 4.33Å; F1462-K1485 HydrophobicContact CE2-CB 4.02Å; F1462-K1485 HydrophobicContact CE2-CD 4.28Å; F1462-K1485 HydrophobicContact CE2-CG 3.69Å; F1462-K1485 HydrophobicContact CZ-CB 3.47Å; F1462-K1485 VanDerWaalsContact CZ-CB 3.47Å; F1462-K1485 HydrophobicContact CZ-CD 4.12Å; F1462-K1485 HydrophobicContact CZ-CG 3.63Å; F1462-K1485 CarbonylContact O-C 3.47Å; F1462-K1485 WeakPolarHBondContact O-CA 3.18Å; F1462-L1486 PolarHBondContact O-N 3.21Å |
| 1463 | V | 63.7 | Low | 68.4 | Low | 20 Ų | 20 | 53.2 Ų | 53.2 | 12% | 0.121 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 102.9 | 173.8 | -179.1 | 0 | 0 | 0 | 0 | 107.4 | L1368 Y1369 A1370 L1486 V1488 E1511 | L1368-V1463 PolarHBondContact O-N 2.92Å; Y1369-V1463 CarbonylContact C-O 3.46Å; Y1369-V1463 WeakPolarHBondContact CA-O 3.38Å; Y1369-V1463 HydrophobicContact CD1-CB 3.62Å; Y1369-V1463 HydrophobicContact CD1-CG2 3.8Å; Y1369-V1463 HydrophobicContact CE1-CB 3.92Å; Y1369-V1463 HydrophobicContact CE1-CG2 3.52Å; A1370-V1463 PolarHBondContact N-O 3.5Å; V1463-L1486 HydrophobicContact CG2-CB 3.69Å; V1463-L1486 WeakPolarHBondContact CG2-O 3.08Å; V1463-V1488 HydrophobicContact CG1-CG2 4.16Å; V1463-E1511 WeakPolarHBondContact CG2-OE2 3.43Å |
| 1464 | A | 63.6 | Low | 67.7 | Low | 12 Ų | 12 | 52.4 Ų | 52.4 | 10% | 0.099 | 27% | 0.266 | C | S | . | . | trans | -149.9 | 155.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | A1370 F1462 Y1466 | A1370-A1464 HydrophobicContact CB-CB 3.74Å; F1462-A1464 HydrophobicContact CD2-CB 3.88Å; F1462-A1464 HydrophobicContact CE2-CB 4.25Å; A1464-Y1466 HydrophobicContact CB-CD2 3.96Å; A1464-Y1466 PolarHBondContact O-N 3.28Å | ||
| 1465 | P | 59.5 | Low | 67.6 | Low | 74 Ų | 74 | 44 Ų | 44 | 48% | 0.481 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -71.7 | -0.1 | 171.1 | 31.2 | -35.3 | 0 | 0 | 0 | 113.1 | A1370 T1372 | A1370-P1465 WeakPolarHBondContact O-CD 3.45Å; T1372-P1465 WeakPolarHBondContact OG1-CG 3.46Å |
| 1466 | Y | 65.8 | Low | 67.8 | Low | 53 Ų | 53 | 45.8 Ų | 45.8 | 21% | 0.208 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -93 | 146 | -177.2 | -56.9 | -61.7 | 0 | 0 | 0 | 111.8 | A1370 T1372 W1384 A1464 F1470 K1485 | A1370-Y1466 HydrophobicContact CB-CD2 4.43Å; A1370-Y1466 HydrophobicContact CB-CE2 4.27Å; T1372-Y1466 WeakPolarHBondContact CG2-OH 3.5Å; T1372-Y1466 PolarHBondContact OG1-OH 3.41Å; W1384-Y1466 HydrophobicContact CH2-CD2 4.23Å; W1384-Y1466 HydrophobicContact CZ2-CD2 4.16Å; W1384-Y1466 HydrophobicContact CZ2-CE2 4.07Å; A1464-Y1466 HydrophobicContact CB-CD2 3.96Å; A1464-Y1466 PolarHBondContact O-N 3.28Å; Y1466-F1470 AromaticContact CD1-CD1 3.38Å; Y1466-F1470 HydrophobicContact CD1-CD1 3.38Å; Y1466-F1470 AromaticContact CD1-CE1 3.44Å; Y1466-F1470 HydrophobicContact CD1-CE1 3.44Å; Y1466-F1470 VanDerWaalsContact CD1-CE1 3.44Å; Y1466-F1470 HydrophobicContact CD1-CG 4.25Å; Y1466-F1470 HydrophobicContact CD1-CZ 4.34Å; Y1466-F1470 HydrophobicContact CD2-CD1 4.3Å; Y1466-F1470 HydrophobicContact CD2-CE1 4.42Å; Y1466-F1470 HydrophobicContact CE1-CD1 4.05Å; Y1466-F1470 AromaticContact CE1-CE1 3.59Å; Y1466-F1470 HydrophobicContact CE1-CE1 3.59Å; Y1466-F1470 HydrophobicContact CE1-CZ 4.3Å; Y1466-F1470 AromaticContact CG-CD1 3.53Å; Y1466-F1470 HydrophobicContact CG-CD1 3.53Å; Y1466-F1470 AromaticContact CG-CE1 3.89Å; Y1466-F1470 HydrophobicContact CG-CE1 3.89Å; Y1466-K1485 WeakPolarHBondContact O-CE 3.48Å |
| 1467 | E | 66.3 | Low | 68.2 | Low | 90 Ų | 90 | 44.3 Ų | 44.3 | 42% | 0.421 | 23% | 0.232 | S | C | . | . | trans | -71.3 | 155.2 | 169.2 | -65.3 | -52.9 | 146.3 | 0 | 0 | 112 | E1469 F1470 V1471 K1485 | E1467-E1469 WeakPolarHBondContact CB-OE2 3.44Å; E1467-E1469 PolarHBondContact O-N 3.21Å; E1467-F1470 WeakPolarHBondContact O-CA 2.98Å; E1467-F1470 WeakPolarHBondContact O-CB 3.38Å; E1467-F1470 PolarHBondContact O-N 2.75Å; E1467-V1471 PolarHBondContact O-N 3.01Å; E1467-V1471 VanDerWaalsContact O-N 3.14Å; E1467-K1485 VanDerWaalsContact CD-NZ 3.26Å; E1467-K1485 IonicContact OE1-NZ 3.42Å; E1467-K1485 PolarHBondContact OE1-NZ 3.43Å; E1467-K1485 IonicContact OE2-NZ 3.23Å; E1467-K1485 PolarHBondContact OE2-NZ 3.45Å | ||
| 1468 | T | 67.6 | Low | 68.5 | Low | 29 Ų | 29 | 43.2 Ų | 43.2 | 18% | 0.178 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.3 | -35.5 | -178.1 | -48 | 0 | 0 | 0 | 0 | 111.8 | F1462 F1470 V1471 H1472 L1483 | F1462-T1468 HydrophobicContact CE1-CG2 4.15Å; F1462-T1468 HydrophobicContact CZ-CG2 4.45Å; T1468-F1470 VanDerWaalsContact C-N 3.3Å; T1468-F1470 PolarHBondContact O-N 3.29Å; T1468-V1471 PolarHBondContact O-N 2.98Å; T1468-H1472 PolarHBondContact O-CD2 3.42Å; T1468-H1472 VanDerWaalsContact O-CD2 3.28Å; T1468-H1472 PolarHBondContact O-N 3.07Å; T1468-L1483 HydrophobicContact CG2-CB 3.78Å; T1468-L1483 HydrophobicContact CG2-CD1 3.77Å; T1468-L1483 HydrophobicContact CG2-CG 4.43Å |
| 1469 | E | 67.8 | Low | 68.6 | Low | 112 Ų | 112 | 45.8 Ų | 45.8 | 52% | 0.523 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.1 | -38.2 | 174.9 | -61.9 | 88.1 | 177.1 | 0 | 0 | 112.2 | E1467 V1471 H1472 | E1467-E1469 WeakPolarHBondContact CB-OE2 3.44Å; E1467-E1469 PolarHBondContact O-N 3.21Å; E1469-V1471 VanDerWaalsContact C-N 3.32Å; E1469-H1472 PolarHBondContact O-N 3.3Å |
| 1470 | F | 66.3 | Low | 69.1 | Low | 89 Ų | 89 | 48.5 Ų | 48.5 | 39% | 0.39 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -70 | -31.9 | 177.4 | -169.5 | -95.5 | 0 | 0 | 0 | 111.5 | Y1466 E1467 T1468 H1472 M1473 F1474 | Y1466-F1470 AromaticContact CD1-CD1 3.38Å; Y1466-F1470 HydrophobicContact CD1-CD1 3.38Å; Y1466-F1470 AromaticContact CD1-CE1 3.44Å; Y1466-F1470 HydrophobicContact CD1-CE1 3.44Å; Y1466-F1470 VanDerWaalsContact CD1-CE1 3.44Å; Y1466-F1470 HydrophobicContact CD1-CG 4.25Å; Y1466-F1470 HydrophobicContact CD1-CZ 4.34Å; Y1466-F1470 HydrophobicContact CD2-CD1 4.3Å; Y1466-F1470 HydrophobicContact CD2-CE1 4.42Å; Y1466-F1470 HydrophobicContact CE1-CD1 4.05Å; Y1466-F1470 AromaticContact CE1-CE1 3.59Å; Y1466-F1470 HydrophobicContact CE1-CE1 3.59Å; Y1466-F1470 HydrophobicContact CE1-CZ 4.3Å; Y1466-F1470 AromaticContact CG-CD1 3.53Å; Y1466-F1470 HydrophobicContact CG-CD1 3.53Å; Y1466-F1470 AromaticContact CG-CE1 3.89Å; Y1466-F1470 HydrophobicContact CG-CE1 3.89Å; E1467-F1470 WeakPolarHBondContact O-CA 2.98Å; E1467-F1470 WeakPolarHBondContact O-CB 3.38Å; E1467-F1470 PolarHBondContact O-N 2.75Å; T1468-F1470 VanDerWaalsContact C-N 3.3Å; T1468-F1470 PolarHBondContact O-N 3.29Å; F1470-H1472 VanDerWaalsContact C-N 3.35Å; F1470-H1472 PolarHBondContact O-N 3.02Å; F1470-M1473 HydrophobicContact CD2-SD 4.16Å; F1470-M1473 WeakPolarHBondContact O-CB 3.32Å; F1470-M1473 PolarHBondContact O-N 3.19Å; F1470-F1474 AromaticContact CD1-CE2 3.69Å; F1470-F1474 HydrophobicContact CD1-CE2 3.69Å; F1470-F1474 HydrophobicContact CD1-CZ 4.29Å; F1470-F1474 AromaticContact CE1-CE2 3.62Å; F1470-F1474 HydrophobicContact CE1-CE2 3.62Å; F1470-F1474 AromaticContact CE1-CZ 3.76Å; F1470-F1474 HydrophobicContact CE1-CZ 3.76Å; F1470-F1474 WeakPolarHBondContact O-CD2 3.23Å |
| 1471 | V | 68 | Low | 69.5 | Low | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.5 | -38.7 | 175.5 | 179.9 | 0 | 0 | 0 | 0 | 111.5 | F1462 E1467 T1468 E1469 M1473 F1474 F1478 L1483 | F1462-V1471 HydrophobicContact CD2-CG2 4.08Å; F1462-V1471 HydrophobicContact CE2-CG2 3.72Å; F1462-V1471 HydrophobicContact CZ-CG2 3.96Å; E1467-V1471 PolarHBondContact O-N 3.01Å; E1467-V1471 VanDerWaalsContact O-N 3.14Å; T1468-V1471 PolarHBondContact O-N 2.98Å; E1469-V1471 VanDerWaalsContact C-N 3.32Å; V1471-M1473 PolarHBondContact O-N 3.4Å; V1471-F1474 WeakPolarHBondContact O-CB 3.07Å; V1471-F1474 WeakPolarHBondContact O-CD2 3.4Å; V1471-F1474 PolarHBondContact O-N 3.22Å; V1471-F1474 VanDerWaalsContact O-N 3.12Å; V1471-F1478 HydrophobicContact CG1-CD1 3.57Å; V1471-F1478 HydrophobicContact CG1-CE1 3.44Å; V1471-F1478 VanDerWaalsContact CG1-CE1 3.44Å; V1471-F1478 HydrophobicContact CG1-CG 4.26Å; V1471-F1478 HydrophobicContact CG1-CZ 4.07Å; V1471-L1483 HydrophobicContact CG1-CD1 4.28Å |
| 1472 | H | 69.4 | Low | 69.8 | Low | 56 Ų | 56 | 48.8 Ų | 48.8 | 26% | 0.259 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.3 | -26.3 | 175.5 | -75.8 | -66.2 | 0 | 0 | 0 | 113.4 | T1468 E1469 F1470 F1474 G1475 L1483 | T1468-H1472 PolarHBondContact O-CD2 3.42Å; T1468-H1472 VanDerWaalsContact O-CD2 3.28Å; T1468-H1472 PolarHBondContact O-N 3.07Å; E1469-H1472 PolarHBondContact O-N 3.3Å; F1470-H1472 VanDerWaalsContact C-N 3.35Å; F1470-H1472 PolarHBondContact O-N 3.02Å; H1472-F1474 PolarHBondContact O-N 3.19Å; H1472-G1475 PolarHBondContact O-N 3.24Å; H1472-L1483 WeakPolarHBondContact CE1-CD1 3.31Å; H1472-L1483 WeakPolarHBondContact NE2-CD1 3.48Å |
| 1473 | M | 66.3 | Low | 70.3 | Confident | 151 Ų | 151 | 49 Ų | 49 | 74% | 0.744 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -17.4 | 176.8 | -63.6 | -178.2 | 61.6 | 0 | 0 | 113.5 | F1470 V1471 G1475 | F1470-M1473 HydrophobicContact CD2-SD 4.16Å; F1470-M1473 WeakPolarHBondContact O-CB 3.32Å; F1470-M1473 PolarHBondContact O-N 3.19Å; V1471-M1473 PolarHBondContact O-N 3.4Å; M1473-G1475 PolarHBondContact O-N 2.92Å |
| 1474 | F | 63.7 | Low | 70.8 | Confident | 76 Ų | 76 | 48 Ų | 48 | 33% | 0.333 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -13.7 | 176.1 | -72.4 | -87.3 | 0 | 0 | 0 | 113.3 | W1384 F1470 V1471 H1472 F1478 | W1384-F1474 HydrophobicContact CH2-CD2 4.38Å; W1384-F1474 AromaticContact CH2-CE2 3.96Å; W1384-F1474 HydrophobicContact CH2-CE2 3.96Å; W1384-F1474 HydrophobicContact CH2-CZ 4.18Å; W1384-F1474 HydrophobicContact CZ2-CE1 4.03Å; W1384-F1474 AromaticContact CZ2-CE2 3.86Å; W1384-F1474 HydrophobicContact CZ2-CE2 3.86Å; W1384-F1474 AromaticContact CZ2-CZ 3.59Å; W1384-F1474 HydrophobicContact CZ2-CZ 3.59Å; F1470-F1474 AromaticContact CD1-CE2 3.69Å; F1470-F1474 HydrophobicContact CD1-CE2 3.69Å; F1470-F1474 HydrophobicContact CD1-CZ 4.29Å; F1470-F1474 AromaticContact CE1-CE2 3.62Å; F1470-F1474 HydrophobicContact CE1-CE2 3.62Å; F1470-F1474 AromaticContact CE1-CZ 3.76Å; F1470-F1474 HydrophobicContact CE1-CZ 3.76Å; F1470-F1474 WeakPolarHBondContact O-CD2 3.23Å; V1471-F1474 WeakPolarHBondContact O-CB 3.07Å; V1471-F1474 WeakPolarHBondContact O-CD2 3.4Å; V1471-F1474 PolarHBondContact O-N 3.22Å; V1471-F1474 VanDerWaalsContact O-N 3.12Å; H1472-F1474 PolarHBondContact O-N 3.19Å; F1474-F1478 HydrophobicContact CB-CD2 4.32Å; F1474-F1478 HydrophobicContact CB-CE2 3.73Å; F1474-F1478 HydrophobicContact CB-CZ 4.39Å |
| 1475 | G | 69.8 | Low | 71.1 | Confident | 12 Ų | 12 | 48.9 Ų | 48.9 | 12% | 0.124 | 26% | 0.259 | C | S | . | . | trans | 152.8 | 161.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | N1444 H1472 M1473 S1477 F1478 | N1444-G1475 VanDerWaalsContact OD1-CA 3.26Å; N1444-G1475 WeakPolarHBondContact OD1-CA 3.36Å; H1472-G1475 PolarHBondContact O-N 3.24Å; M1473-G1475 PolarHBondContact O-N 2.92Å; G1475-S1477 PolarHBondContact O-N 3.07Å; G1475-S1477 VanDerWaalsContact O-N 3.14Å; G1475-F1478 PolarHBondContact O-N 2.89Å | ||
| 1476 | P | 72.5 | Confident | 71.3 | Confident | 101 Ų | 101 | 46.2 Ų | 46.2 | 66% | 0.656 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -61.8 | -24.7 | -172.3 | 24.1 | -35.3 | 0 | 0 | 0 | 114.3 | N1444 F1478 A1479 | N1444-P1476 WeakPolarHBondContact OD1-CD 3.41Å; P1476-F1478 PolarHBondContact O-N 3.36Å; P1476-A1479 WeakPolarHBondContact O-CB 3.3Å; P1476-A1479 PolarHBondContact O-N 3.46Å |
| 1477 | S | 79 | Confident | 70.8 | Confident | 14 Ų | 14 | 49.8 Ų | 49.8 | 10% | 0.098 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -65.8 | -21.2 | -177.8 | -56.8 | 0 | 0 | 0 | 0 | 113.4 | N1444 G1448 G1475 A1479 L1480 | N1444-S1477 VanDerWaalsContact O-CB 3.24Å; N1444-S1477 WeakPolarHBondContact O-CB 3.37Å; N1444-S1477 PolarHBondContact O-OG 3.44Å; N1444-S1477 WeakPolarHBondContact OD1-CB 3.48Å; N1444-S1477 PolarHBondContact OD1-N 3.1Å; N1444-S1477 PolarHBondContact OD1-OG 3.36Å; N1444-S1477 VanDerWaalsContact OD1-OG 3.06Å; G1448-S1477 WeakPolarHBondContact CA-OG 3.25Å; G1448-S1477 PolarHBondContact N-OG 2.89Å; G1475-S1477 PolarHBondContact O-N 3.07Å; G1475-S1477 VanDerWaalsContact O-N 3.14Å; S1477-A1479 VanDerWaalsContact C-N 3.28Å; S1477-A1479 PolarHBondContact O-N 3.17Å; S1477-L1480 WeakPolarHBondContact O-CB 3.45Å; S1477-L1480 PolarHBondContact O-N 3.2Å |
| 1478 | F | 76.5 | Confident | 70.2 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -67.5 | -28.6 | 173.5 | -78.7 | -87.4 | 0 | 0 | 0 | 113.1 | L1368 L1443 L1447 V1471 F1474 G1475 P1476 L1480 L1483 | L1368-F1478 HydrophobicContact CD1-CD1 4.38Å; L1368-F1478 HydrophobicContact CD1-CE1 3.48Å; L1368-F1478 VanDerWaalsContact CD1-CE1 3.48Å; L1368-F1478 HydrophobicContact CD1-CZ 4.16Å; L1443-F1478 HydrophobicContact CD2-CE2 4.16Å; L1443-F1478 HydrophobicContact CD2-CZ 3.52Å; L1443-F1478 HydrophobicContact CG-CE2 4.12Å; L1443-F1478 HydrophobicContact CG-CZ 3.79Å; L1447-F1478 HydrophobicContact CD1-CD1 3.65Å; L1447-F1478 HydrophobicContact CD1-CD2 3.76Å; L1447-F1478 HydrophobicContact CD1-CE1 3.52Å; L1447-F1478 HydrophobicContact CD1-CE2 3.59Å; L1447-F1478 HydrophobicContact CD1-CG 3.81Å; L1447-F1478 HydrophobicContact CD1-CZ 3.49Å; L1447-F1478 VanDerWaalsContact CD1-CZ 3.49Å; V1471-F1478 HydrophobicContact CG1-CD1 3.57Å; V1471-F1478 HydrophobicContact CG1-CE1 3.44Å; V1471-F1478 VanDerWaalsContact CG1-CE1 3.44Å; V1471-F1478 HydrophobicContact CG1-CG 4.26Å; V1471-F1478 HydrophobicContact CG1-CZ 4.07Å; F1474-F1478 HydrophobicContact CB-CD2 4.32Å; F1474-F1478 HydrophobicContact CB-CE2 3.73Å; F1474-F1478 HydrophobicContact CB-CZ 4.39Å; G1475-F1478 PolarHBondContact O-N 2.89Å; P1476-F1478 PolarHBondContact O-N 3.36Å; F1478-L1480 PolarHBondContact O-N 3.08Å; F1478-L1483 HydrophobicContact CB-CD1 4.46Å; F1478-L1483 HydrophobicContact CD1-CD1 4.49Å; F1478-L1483 HydrophobicContact CD1-CD2 3.98Å |
| 1479 | A | 74.9 | Confident | 69.2 | Low | 58 Ų | 58 | 51.7 Ų | 51.7 | 48% | 0.479 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -73.7 | -8.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | P1476 S1477 F1481 | P1476-A1479 WeakPolarHBondContact O-CB 3.3Å; P1476-A1479 PolarHBondContact O-N 3.46Å; S1477-A1479 VanDerWaalsContact C-N 3.28Å; S1477-A1479 PolarHBondContact O-N 3.17Å; A1479-F1481 VanDerWaalsContact C-N 3.27Å; A1479-F1481 PolarHBondContact O-N 3.12Å |
| 1480 | L | 80.9 | Confident | 68.1 | Low | 64 Ų | 64 | 52 Ų | 52 | 34% | 0.335 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -80.3 | -5.9 | 178.3 | -57.8 | 172.9 | 0 | 0 | 0 | 113.2 | W1196 H1451 S1477 F1478 | W1196-L1480 WeakPolarHBondContact CH2-O 3.25Å; H1451-L1480 HydrophobicContact CB-CD1 3.85Å; S1477-L1480 WeakPolarHBondContact O-CB 3.45Å; S1477-L1480 PolarHBondContact O-N 3.2Å; F1478-L1480 PolarHBondContact O-N 3.08Å |
| 1481 | F | 81.2 | Confident | 66.9 | Low | 10 Ų | 10 | 54 Ų | 54 | 4% | 0.044 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -136.3 | 153.5 | -175.8 | -54 | -80.9 | 0 | 0 | 0 | 111.8 | L1447 Y1450 H1451 T1458 V1460 A1479 L1483 | L1447-F1481 HydrophobicContact CB-CE2 4.48Å; L1447-F1481 HydrophobicContact CD2-CE2 4.23Å; Y1450-F1481 AromaticContact CD1-CE1 3.89Å; Y1450-F1481 HydrophobicContact CD1-CE1 3.89Å; Y1450-F1481 AromaticContact CD1-CZ 3.66Å; Y1450-F1481 HydrophobicContact CD1-CZ 3.66Å; Y1450-F1481 AromaticContact CE1-CE1 3.96Å; Y1450-F1481 HydrophobicContact CE1-CE1 3.96Å; Y1450-F1481 HydrophobicContact CE1-CZ 4.21Å; H1451-F1481 HydrophobicContact CB-CE1 4.38Å; H1451-F1481 HydrophobicContact CB-CE2 4.14Å; H1451-F1481 HydrophobicContact CB-CZ 3.55Å; H1451-F1481 AromaticContact ND1-CE1 3.8Å; H1451-F1481 AromaticContact ND1-CZ 3.75Å; T1458-F1481 HydrophobicContact CG2-CD1 4.05Å; T1458-F1481 HydrophobicContact CG2-CE1 4.19Å; V1460-F1481 HydrophobicContact CB-CB 4.46Å; V1460-F1481 HydrophobicContact CG2-CB 3.57Å; V1460-F1481 HydrophobicContact CG2-CD1 4.44Å; V1460-F1481 HydrophobicContact CG2-CD2 4.17Å; V1460-F1481 HydrophobicContact CG2-CG 3.82Å; A1479-F1481 VanDerWaalsContact C-N 3.27Å; A1479-F1481 PolarHBondContact O-N 3.12Å; F1481-L1483 PolarHBondContact O-N 3.49Å |
| 1482 | P | 76.8 | Confident | 65.5 | Low | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.019 | 32% | 0.319 | C | S | . | . | trans | -68.1 | 121.9 | 165.4 | -2.9 | 17.5 | 0 | 0 | 0 | 109.9 | N1183 W1196 L1203 T1458 I1459 V1460 | N1183-P1482 HydrophobicContact CB-CB 4.26Å; N1183-P1482 WeakPolarHBondContact ND2-CB 3.06Å; W1196-P1482 HydrophobicContact CB-CB 4.32Å; W1196-P1482 HydrophobicContact CB-CG 4.18Å; W1196-P1482 HydrophobicContact CD2-CB 4.13Å; W1196-P1482 HydrophobicContact CD2-CG 3.69Å; W1196-P1482 HydrophobicContact CE3-CG 3.74Å; W1196-P1482 HydrophobicContact CG-CB 3.95Å; W1196-P1482 HydrophobicContact CG-CG 3.89Å; W1196-P1482 HydrophobicContact CZ3-CG 4.39Å; L1203-P1482 HydrophobicContact CD1-CG 4.37Å; L1203-P1482 HydrophobicContact CD2-CG 3.82Å; T1458-P1482 WeakPolarHBondContact O-CD 3.48Å; I1459-P1482 HydrophobicContact CG1-CB 4.49Å; I1459-P1482 HydrophobicContact CG1-CG 4.12Å; V1460-P1482 PolarHBondContact N-O 3.31Å | ||
| 1483 | L | 77.6 | Confident | 64.1 | Low | 4 Ų | 4 | 63.1 Ų | 63.1 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 138.7 | 175.2 | -61.9 | 174.9 | 0 | 0 | 0 | 111.3 | N1183 V1460 F1462 T1468 V1471 H1472 F1478 F1481 | N1183-L1483 PolarHBondContact ND2-O 2.89Å; V1460-L1483 HydrophobicContact CB-CD2 3.81Å; V1460-L1483 HydrophobicContact CG1-CD2 3.69Å; V1460-L1483 CarbonylContact O-C 3.5Å; V1460-L1483 WeakPolarHBondContact O-CA 3.29Å; F1462-L1483 HydrophobicContact CD1-CB 4.48Å; F1462-L1483 HydrophobicContact CE1-CB 4.31Å; T1468-L1483 HydrophobicContact CG2-CB 3.78Å; T1468-L1483 HydrophobicContact CG2-CD1 3.77Å; T1468-L1483 HydrophobicContact CG2-CG 4.43Å; V1471-L1483 HydrophobicContact CG1-CD1 4.28Å; H1472-L1483 WeakPolarHBondContact CE1-CD1 3.31Å; H1472-L1483 WeakPolarHBondContact NE2-CD1 3.48Å; F1478-L1483 HydrophobicContact CB-CD1 4.46Å; F1478-L1483 HydrophobicContact CD1-CD1 4.49Å; F1478-L1483 HydrophobicContact CD1-CD2 3.98Å; F1481-L1483 PolarHBondContact O-N 3.49Å |
| 1484 | V | 72.5 | Confident | 62.9 | Low | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 114.5 | 177.8 | -179.8 | 0 | 0 | 0 | 0 | 109.9 | I1459 V1460 Y1461 F1462 F1522 I1533 | I1459-V1484 HydrophobicContact CG2-CG2 3.61Å; V1460-V1484 PolarHBondContact O-N 2.77Å; Y1461-V1484 CarbonylContact C-O 3.55Å; Y1461-V1484 VanDerWaalsContact CA-O 3.26Å; Y1461-V1484 WeakPolarHBondContact CA-O 3.5Å; Y1461-V1484 HydrophobicContact CD1-CB 3.69Å; Y1461-V1484 HydrophobicContact CD1-CG1 3.55Å; Y1461-V1484 HydrophobicContact CD1-CG2 4.4Å; Y1461-V1484 HydrophobicContact CE1-CB 3.93Å; Y1461-V1484 HydrophobicContact CE1-CG1 3.62Å; Y1461-V1484 HydrophobicContact CE1-CG2 4.22Å; Y1461-V1484 HydrophobicContact CG-CB 4.26Å; F1462-V1484 WeakPolarHBondContact CD1-O 3.39Å; F1462-V1484 PolarHBondContact N-O 2.91Å; V1484-F1522 HydrophobicContact CG1-CE1 3.88Å; V1484-F1522 HydrophobicContact CG1-CZ 4.45Å; V1484-I1533 HydrophobicContact CG1-CG1 4.29Å; V1484-I1533 WeakPolarHBondContact CG1-O 3.45Å; V1484-I1533 HydrophobicContact CG2-CG2 4.09Å |
| 1485 | K | 71.5 | Confident | 62 | Low | 30 Ų | 30 | 62.3 Ų | 62.3 | 13% | 0.13 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 126.5 | 175.1 | -169.2 | -177.5 | -177.2 | -164.9 | 0 | 110 | F1462 Y1466 E1467 D1538 | F1462-K1485 HydrophobicContact CD1-CB 4.44Å; F1462-K1485 HydrophobicContact CD2-CG 4.43Å; F1462-K1485 HydrophobicContact CE1-CB 3.71Å; F1462-K1485 HydrophobicContact CE1-CG 4.33Å; F1462-K1485 HydrophobicContact CE2-CB 4.02Å; F1462-K1485 HydrophobicContact CE2-CD 4.28Å; F1462-K1485 HydrophobicContact CE2-CG 3.69Å; F1462-K1485 HydrophobicContact CZ-CB 3.47Å; F1462-K1485 VanDerWaalsContact CZ-CB 3.47Å; F1462-K1485 HydrophobicContact CZ-CD 4.12Å; F1462-K1485 HydrophobicContact CZ-CG 3.63Å; F1462-K1485 CarbonylContact O-C 3.47Å; F1462-K1485 WeakPolarHBondContact O-CA 3.18Å; Y1466-K1485 WeakPolarHBondContact O-CE 3.48Å; E1467-K1485 VanDerWaalsContact CD-NZ 3.26Å; E1467-K1485 IonicContact OE1-NZ 3.42Å; E1467-K1485 PolarHBondContact OE1-NZ 3.43Å; E1467-K1485 IonicContact OE2-NZ 3.23Å; E1467-K1485 PolarHBondContact OE2-NZ 3.45Å; K1485-D1538 IonicContact NZ-OD1 3.92Å; K1485-D1538 PolarHBondContact NZ-OD1 3.1Å; K1485-D1538 IonicContact NZ-OD2 3.61Å |
| 1486 | L | 62.6 | Low | 60.7 | Low | 17 Ų | 17 | 66.8 Ų | 66.8 | 9% | 0.089 | 37% | 0.37 | C | S | . | . | trans | -107.1 | 123.5 | 171.9 | -67 | 176.5 | 0 | 0 | 0 | 108.8 | Y1461 F1462 V1463 F1522 | Y1461-L1486 HydrophobicContact CD1-CD1 3.75Å; Y1461-L1486 HydrophobicContact CD1-CD2 4.03Å; Y1461-L1486 HydrophobicContact CD1-CG 3.87Å; Y1461-L1486 HydrophobicContact CG-CD1 4.2Å; F1462-L1486 PolarHBondContact O-N 3.21Å; V1463-L1486 HydrophobicContact CG2-CB 3.69Å; V1463-L1486 WeakPolarHBondContact CG2-O 3.08Å; L1486-F1522 HydrophobicContact CD2-CD1 3.88Å; L1486-F1522 HydrophobicContact CD2-CD2 4.37Å; L1486-F1522 HydrophobicContact CD2-CE1 3.92Å; L1486-F1522 HydrophobicContact CD2-CE2 4.41Å; L1486-F1522 HydrophobicContact CD2-CG 4.1Å; L1486-F1522 HydrophobicContact CD2-CZ 4.17Å | ||
| 1487 | R | 55.9 | Low | 59.1 | Low | 128 Ų | 128 | 65 Ų | 65 | 48% | 0.483 | 36% | 0.355 | S | S | . | . | trans | -95.8 | 129.4 | -178.8 | -168.7 | 178.3 | -172.8 | -164.3 | 5.2 | 111.4 | D1538 E1539 | R1487-D1538 WeakPolarHBondContact CD-O 3.22Å; R1487-D1538 PolarHBondContact NH1-O 3.07Å; R1487-E1539 IonicContact NH1-OE1 2.74Å; R1487-E1539 PolarHBondContact NH1-OE1 3.11Å | ||
| 1488 | V | 52.8 | Low | 57.7 | Low | 46 Ų | 46 | 71 Ų | 71 | 28% | 0.279 | 39% | 0.385 | S | S | . | . | trans | -112.3 | 127.4 | 169.3 | 180 | 0 | 0 | 0 | 0 | 108.9 | V1463 E1490 E1511 | V1463-V1488 HydrophobicContact CG1-CG2 4.16Å; V1488-E1490 PolarHBondContact O-N 2.72Å; V1488-E1511 WeakPolarHBondContact CG2-OE1 3.42Å | ||
| 1489 | V | 47.6 | Very low | 56.5 | Low | 114 Ų | 114 | 76.5 Ų | 76.5 | 69% | 0.691 | 41% | 0.412 | S | S | * | . | trans | -70 | 100.9 | 175.8 | -177.4 | 0 | 0 | 0 | 0 | 108.1 | K1491 | V1489-K1491 PolarHBondContact O-N 3.3Š| ||
| 1490 | E | 43.9 | Very low | 55.4 | Low | 119 Ų | 119 | 76.6 Ų | 76.6 | 56% | 0.556 | 40% | 0.404 | S | S | * | . | trans | -62.9 | 117.1 | -176.8 | -68.1 | -169.1 | 141.4 | 0 | 0 | 111.6 | V1488 C1492 | V1488-E1490 PolarHBondContact O-N 2.72Å; E1490-C1492 PolarHBondContact O-N 2.74Å | ||
| 1491 | K | 41.7 | Very low | 54.2 | Low | 129 Ų | 129 | 76.2 Ų | 76.2 | 56% | 0.561 | 41% | 0.406 | S | S | * | . | trans | -74.7 | 99.9 | 154.1 | -73.9 | -178.3 | -178.4 | 171.3 | 0 | 107 | V1489 L1493 | V1489-K1491 PolarHBondContact O-N 3.3Å; K1491-L1493 HydrophobicContact CB-CD1 4.45Å; K1491-L1493 PolarHBondContact O-N 3.05Å | ||
| 1492 | C | 39.4 | Very low | 53 | Low | 116 Ų | 116 | 78.8 Ų | 78.8 | 78% | 0.784 | 42% | 0.423 | S | S | * | . | trans | -60.7 | 82.1 | 171.1 | -113.8 | 0 | 0 | 0 | 0 | 110.3 | E1490 | E1490-C1492 PolarHBondContact O-N 2.74Š| ||
| 1493 | L | 39.4 | Very low | 51.9 | Low | 132 Ų | 132 | 80 Ų | 80 | 69% | 0.691 | 43% | 0.428 | S | S | * | . | trans | -121.7 | 9.2 | -179.7 | -101.7 | 162.2 | 0 | 0 | 0 | 113.8 | K1491 | K1491-L1493 HydrophobicContact CB-CD1 4.45Å; K1491-L1493 PolarHBondContact O-N 3.05Å | ||
| 1494 | F | 41.6 | Very low | 50.7 | Low | 136 Ų | 136 | 80.1 Ų | 80.1 | 60% | 0.596 | 43% | 0.429 | S | S | * | . | trans | -132.7 | 82.9 | -172 | -61.1 | -75.3 | 0 | 0 | 0 | 113.6 | V1496 | F1494-V1496 PolarHBondContact O-N 3.44Š| ||
| 1495 | A | 42.8 | Very low | 50 | Low | 75 Ų | 75 | 82.5 Ų | 82.5 | 62% | 0.62 | 44% | 0.442 | S | S | * | . | trans | -73.5 | 4.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1496 | V | 43.8 | Very low | 49.2 | Very low | 106 Ų | 106 | 82.5 Ų | 82.5 | 64% | 0.642 | 44% | 0.444 | S | S | * | . | trans | -130.6 | 82 | -169.9 | -167.1 | 0 | 0 | 0 | 0 | 112.1 | F1494 L1498 | F1494-V1496 PolarHBondContact O-N 3.44Å; V1496-L1498 HydrophobicContact CG1-CB 4.33Å; V1496-L1498 PolarHBondContact O-N 2.98Å | ||
| 1497 | L | 38.8 | Very low | 48.9 | Very low | 62 Ų | 62 | 82.8 Ų | 82.8 | 33% | 0.325 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | 12.3 | 173.3 | -93.8 | 161.6 | 0 | 0 | 0 | 114.4 | K1373 M1499 I1503 | K1373-L1497 HydrophobicContact CB-CD1 3.53Å; K1373-L1497 HydrophobicContact CD-CD1 4.17Å; K1373-L1497 HydrophobicContact CG-CD1 3.8Å; L1497-M1499 PolarHBondContact O-N 3.17Å; L1497-I1503 HydrophobicContact CD2-CD1 3.31Å; L1497-I1503 HydrophobicContact CD2-CG1 3.8Å; L1497-I1503 HydrophobicContact CG-CD1 4.5Å |
| 1498 | L | 48.6 | Very low | 49 | Very low | 141 Ų | 141 | 76.7 Ų | 76.7 | 74% | 0.738 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -0.3 | -175.5 | -78.7 | 166.8 | 0 | 0 | 0 | 115.1 | V1496 | V1496-L1498 HydrophobicContact CG1-CB 4.33Å; V1496-L1498 PolarHBondContact O-N 2.98Å |
| 1499 | M | 52.9 | Low | 49.2 | Very low | 117 Ų | 117 | 79.7 Ų | 79.7 | 58% | 0.576 | 43% | 0.428 | S | S | * | . | trans | -119.5 | 89.9 | 179.7 | -59.4 | -161.5 | 85.6 | 0 | 0 | 111.3 | L1497 P1501 T1502 I1503 | L1497-M1499 PolarHBondContact O-N 3.17Å; M1499-P1501 VanDerWaalsContact C-N 3.26Å; M1499-P1501 VanDerWaalsContact O-N 3.15Å; M1499-T1502 WeakPolarHBondContact CB-OG1 3.48Å; M1499-T1502 WeakPolarHBondContact O-CB 3.46Å; M1499-T1502 PolarHBondContact O-N 3.48Å; M1499-I1503 PolarHBondContact O-N 3.25Å | ||
| 1500 | L | 51.1 | Low | 49.4 | Very low | 59 Ų | 59 | 78.9 Ų | 78.9 | 31% | 0.309 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -42 | -42.9 | 172.9 | -94.8 | 132.8 | 0 | 0 | 0 | 114.3 | I1383 I1398 T1502 I1503 S1504 | I1383-L1500 HydrophobicContact CD1-CD2 3.81Å; I1383-L1500 HydrophobicContact CD1-CG 4.49Å; I1398-L1500 HydrophobicContact CD1-CD2 3.53Å; I1398-L1500 HydrophobicContact CG1-CD2 4.39Å; L1500-T1502 VanDerWaalsContact C-N 3.35Å; L1500-T1502 PolarHBondContact O-N 2.98Å; L1500-I1503 PolarHBondContact O-N 2.9Å; L1500-S1504 PolarHBondContact O-N 3.38Å; L1500-S1504 PolarHBondContact O-OG 2.85Å |
| 1501 | P | 55.4 | Low | 49.8 | Very low | 57 Ų | 57 | 74.7 Ų | 74.7 | 37% | 0.37 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.9 | -37.2 | 176.7 | -23.1 | 33.8 | 0 | 0 | 0 | 113.7 | M1499 I1503 S1504 L1505 | M1499-P1501 VanDerWaalsContact C-N 3.26Å; M1499-P1501 VanDerWaalsContact O-N 3.15Å; P1501-I1503 VanDerWaalsContact C-N 3.33Å; P1501-S1504 PolarHBondContact O-N 3.49Å; P1501-L1505 WeakPolarHBondContact O-CB 3.33Å; P1501-L1505 VanDerWaalsContact O-CG 3.26Å; P1501-L1505 WeakPolarHBondContact O-CG 3.17Å; P1501-L1505 PolarHBondContact O-N 2.94Å |
| 1502 | T | 56.9 | Low | 50.3 | Low | 64 Ų | 64 | 69 Ų | 69 | 39% | 0.393 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.7 | -35.8 | 177.9 | -48.9 | 0 | 0 | 0 | 0 | 110.8 | M1499 L1500 L1505 V1506 | M1499-T1502 WeakPolarHBondContact CB-OG1 3.48Å; M1499-T1502 WeakPolarHBondContact O-CB 3.46Å; M1499-T1502 PolarHBondContact O-N 3.48Å; L1500-T1502 VanDerWaalsContact C-N 3.35Å; L1500-T1502 PolarHBondContact O-N 2.98Å; T1502-L1505 PolarHBondContact O-N 3.49Å; T1502-V1506 WeakPolarHBondContact O-CB 3.49Å; T1502-V1506 VanDerWaalsContact O-CG2 3.24Å; T1502-V1506 WeakPolarHBondContact O-CG2 3.38Å; T1502-V1506 PolarHBondContact O-N 3.46Å |
| 1503 | I | 52 | Low | 51.3 | Low | 28 Ų | 28 | 63.9 Ų | 63.9 | 14% | 0.144 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.6 | -46.2 | 175 | -54.8 | 164.8 | 0 | 0 | 0 | 110.2 | I1383 L1497 M1499 L1500 P1501 L1505 V1506 F1507 | I1383-I1503 HydrophobicContact CD1-CB 4.31Å; I1383-I1503 HydrophobicContact CD1-CD1 4.1Å; I1383-I1503 HydrophobicContact CD1-CG2 3.87Å; L1497-I1503 HydrophobicContact CD2-CD1 3.31Å; L1497-I1503 HydrophobicContact CD2-CG1 3.8Å; L1497-I1503 HydrophobicContact CG-CD1 4.5Å; M1499-I1503 PolarHBondContact O-N 3.25Å; L1500-I1503 PolarHBondContact O-N 2.9Å; P1501-I1503 VanDerWaalsContact C-N 3.33Å; I1503-L1505 VanDerWaalsContact C-N 3.34Å; I1503-L1505 PolarHBondContact O-N 2.92Å; I1503-V1506 PolarHBondContact O-N 2.98Å; I1503-F1507 WeakPolarHBondContact O-CB 3.39Å; I1503-F1507 PolarHBondContact O-N 2.85Å |
| 1504 | S | 53.5 | Low | 52.1 | Low | 6 Ų | 6 | 58 Ų | 58 | 4% | 0.042 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.7 | -38.3 | 175.3 | -59.8 | 0 | 0 | 0 | 0 | 112.6 | M1410 L1413 L1500 P1501 F1507 F1508 | M1410-S1504 PolarHBondContact SD-OG 2.93Å; L1413-S1504 VanDerWaalsContact CD2-CB 3.41Å; L1500-S1504 PolarHBondContact O-N 3.38Å; L1500-S1504 PolarHBondContact O-OG 2.85Å; P1501-S1504 PolarHBondContact O-N 3.49Å; S1504-F1507 WeakPolarHBondContact O-CB 3.27Å; S1504-F1507 PolarHBondContact O-N 3.25Å; S1504-F1508 WeakPolarHBondContact O-CD2 3.49Å; S1504-F1508 WeakPolarHBondContact O-CG 3.31Å; S1504-F1508 PolarHBondContact O-N 3.03Å; S1504-F1508 VanDerWaalsContact O-N 3.1Å |
| 1505 | L | 57.7 | Low | 52.7 | Low | 50 Ų | 50 | 52.8 Ų | 52.8 | 26% | 0.262 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.8 | -40.6 | 174.1 | -74.8 | 170.3 | 0 | 0 | 0 | 112 | L1413 E1417 P1501 T1502 I1503 F1508 R1509 | L1413-L1505 HydrophobicContact CD2-CD2 3.84Å; L1413-L1505 HydrophobicContact CD2-CG 3.88Å; L1413-L1505 HydrophobicContact CG-CD2 4.06Å; L1413-L1505 HydrophobicContact CG-CG 4.45Å; E1417-L1505 HydrophobicContact CB-CD2 4.28Å; E1417-L1505 WeakPolarHBondContact OE2-CD2 3.38Å; P1501-L1505 WeakPolarHBondContact O-CB 3.33Å; P1501-L1505 VanDerWaalsContact O-CG 3.26Å; P1501-L1505 WeakPolarHBondContact O-CG 3.17Å; P1501-L1505 PolarHBondContact O-N 2.94Å; T1502-L1505 PolarHBondContact O-N 3.49Å; I1503-L1505 VanDerWaalsContact C-N 3.34Å; I1503-L1505 PolarHBondContact O-N 2.92Å; L1505-F1508 PolarHBondContact O-N 3.21Å; L1505-R1509 VanDerWaalsContact O-CB 3.24Å; L1505-R1509 WeakPolarHBondContact O-CB 3.24Å; L1505-R1509 WeakPolarHBondContact O-CG 3.38Å; L1505-R1509 PolarHBondContact O-N 3.24Å |
| 1506 | V | 54.3 | Low | 53.4 | Low | 30 Ų | 30 | 52.7 Ų | 52.7 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 175 | 171.2 | 0 | 0 | 0 | 0 | 111 | T1502 I1503 F1508 R1509 E1510 | T1502-V1506 WeakPolarHBondContact O-CB 3.49Å; T1502-V1506 VanDerWaalsContact O-CG2 3.24Å; T1502-V1506 WeakPolarHBondContact O-CG2 3.38Å; T1502-V1506 PolarHBondContact O-N 3.46Å; I1503-V1506 PolarHBondContact O-N 2.98Å; V1506-F1508 VanDerWaalsContact C-N 3.31Å; V1506-F1508 PolarHBondContact O-N 3.37Å; V1506-R1509 PolarHBondContact O-N 2.74Å; V1506-E1510 HydrophobicContact CG1-CG 4.44Å; V1506-E1510 PolarHBondContact O-N 3.31Å |
| 1507 | F | 55.8 | Low | 54 | Low | 23 Ų | 23 | 50 Ų | 50 | 10% | 0.101 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -54.7 | -44.3 | 173.1 | 166.6 | -97.2 | 0 | 0 | 0 | 111.7 | Y1369 I1387 I1503 S1504 E1511 A1512 | Y1369-F1507 HydrophobicContact CD2-CD2 4.4Å; Y1369-F1507 AromaticContact CD2-CE2 3.55Å; Y1369-F1507 HydrophobicContact CD2-CE2 3.55Å; Y1369-F1507 HydrophobicContact CD2-CZ 4.29Å; Y1369-F1507 HydrophobicContact CE2-CE2 4.41Å; Y1369-F1507 HydrophobicContact CG-CD2 4.24Å; Y1369-F1507 AromaticContact CG-CE2 3.82Å; Y1369-F1507 HydrophobicContact CG-CE2 3.82Å; I1387-F1507 HydrophobicContact CD1-CE1 4.28Å; I1387-F1507 HydrophobicContact CD1-CZ 4.15Å; I1387-F1507 HydrophobicContact CG1-CZ 4.39Å; I1503-F1507 WeakPolarHBondContact O-CB 3.39Å; I1503-F1507 PolarHBondContact O-N 2.85Å; S1504-F1507 WeakPolarHBondContact O-CB 3.27Å; S1504-F1507 PolarHBondContact O-N 3.25Å; F1507-E1511 WeakPolarHBondContact O-CB 3.18Å; F1507-A1512 PolarHBondContact O-N 3.46Å |
| 1508 | F | 58.8 | Low | 55 | Low | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -73.9 | -42.7 | 175.2 | -62.6 | -52.1 | 0 | 0 | 0 | 112.8 | M1410 L1413 Y1414 E1417 F1437 S1504 L1505 V1506 A1512 F1513 | M1410-F1508 HydrophobicContact CE-CE2 3.77Å; M1410-F1508 HydrophobicContact CE-CZ 3.52Å; L1413-F1508 HydrophobicContact CB-CE2 3.99Å; L1413-F1508 HydrophobicContact CD2-CD2 3.84Å; L1413-F1508 HydrophobicContact CD2-CE2 3.62Å; L1413-F1508 HydrophobicContact CG-CE2 4.37Å; Y1414-F1508 AromaticContact CD2-CD1 3.61Å; Y1414-F1508 HydrophobicContact CD2-CD1 3.61Å; Y1414-F1508 AromaticContact CD2-CE1 3.56Å; Y1414-F1508 HydrophobicContact CD2-CE1 3.56Å; Y1414-F1508 HydrophobicContact CD2-CG 4.44Å; Y1414-F1508 HydrophobicContact CD2-CZ 4.37Å; Y1414-F1508 HydrophobicContact CG-CD1 4.43Å; Y1414-F1508 HydrophobicContact CG-CE1 4.09Å; Y1414-F1508 HydrophobicContact CG-CZ 4.5Å; E1417-F1508 HydrophobicContact CB-CB 4.04Å; E1417-F1508 HydrophobicContact CG-CB 3.84Å; F1437-F1508 HydrophobicContact CE1-CE1 4Å; F1437-F1508 HydrophobicContact CE1-CZ 4.29Å; F1437-F1508 AromaticContact CZ-CE1 3.8Å; F1437-F1508 HydrophobicContact CZ-CE1 3.8Å; F1437-F1508 HydrophobicContact CZ-CZ 4.18Å; S1504-F1508 WeakPolarHBondContact O-CD2 3.49Å; S1504-F1508 WeakPolarHBondContact O-CG 3.31Å; S1504-F1508 PolarHBondContact O-N 3.03Å; S1504-F1508 VanDerWaalsContact O-N 3.1Å; L1505-F1508 PolarHBondContact O-N 3.21Å; V1506-F1508 VanDerWaalsContact C-N 3.31Å; V1506-F1508 PolarHBondContact O-N 3.37Å; F1508-A1512 HydrophobicContact CD1-CB 4.21Å; F1508-F1513 HydrophobicContact CB-CD2 4.42Å; F1508-F1513 HydrophobicContact CB-CE2 3.81Å; F1508-F1513 HydrophobicContact CB-CZ 4.42Å; F1508-F1513 WeakPolarHBondContact O-CD2 3.28Å |
| 1509 | R | 56.7 | Low | 55.4 | Low | 110 Ų | 110 | 46.8 Ų | 46.8 | 42% | 0.415 | 23% | 0.233 | S | C | . | . | I | π-helix | trans | -60.6 | -55.6 | -175.1 | -90.8 | -176.9 | 179.2 | -177.2 | 5.1 | 114.1 | E1417 R1421 L1505 V1506 | E1417-R1509 HydrophobicContact CG-CG 3.83Å; E1417-R1509 WeakPolarHBondContact OE1-CD 3.3Å; E1417-R1509 WeakPolarHBondContact OE1-CG 3.4Å; E1417-R1509 IonicContact OE1-CZ 3.69Å; E1417-R1509 IonicContact OE1-NE 3.04Å; E1417-R1509 PolarHBondContact OE1-NE 3.25Å; E1417-R1509 IonicContact OE1-NH2 3.58Å; E1417-R1509 IonicContact OE2-CZ 3.35Å; E1417-R1509 IonicContact OE2-NE 2.78Å; E1417-R1509 PolarHBondContact OE2-NE 2.78Å; E1417-R1509 IonicContact OE2-NH2 3.52Å; E1417-R1509 PolarHBondContact OE2-NH2 3.09Å; R1421-R1509 PolarHBondContact NH1-O 3.18Å; R1421-R1509 VanDerWaalsContact NH1-O 3.11Å; R1421-R1509 VanDerWaalsContact NH2-CB 3.34Å; R1421-R1509 PolarHBondContact NH2-O 2.93Å; L1505-R1509 VanDerWaalsContact O-CB 3.24Å; L1505-R1509 WeakPolarHBondContact O-CB 3.24Å; L1505-R1509 WeakPolarHBondContact O-CG 3.38Å; L1505-R1509 PolarHBondContact O-N 3.24Å; V1506-R1509 PolarHBondContact O-N 2.74Å |
| 1510 | E | 52.3 | Low | 55.8 | Low | 96 Ų | 96 | 49.1 Ų | 49.1 | 45% | 0.449 | 24% | 0.235 | S | C | . | . | I | π-helix | trans | -90.5 | -33.5 | -169.2 | -65.2 | -56.7 | 123.6 | 0 | 0 | 111.3 | R1421 V1506 S1514 | R1421-E1510 IonicContact NH2-OE1 3.06Å; R1421-E1510 PolarHBondContact NH2-OE1 2.77Å; V1506-E1510 HydrophobicContact CG1-CG 4.44Å; V1506-E1510 PolarHBondContact O-N 3.31Å; E1510-S1514 WeakPolarHBondContact O-CB 3.46Å; E1510-S1514 PolarHBondContact O-OG 2.8Å |
| 1511 | E | 52.5 | Low | 56.4 | Low | 32 Ų | 32 | 49.4 Ų | 49.4 | 15% | 0.15 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -107.3 | -68.9 | -166 | -58.7 | -65.9 | 162.7 | 0 | 0 | 112.3 | Y1369 V1463 V1488 F1507 F1513 S1514 V1515 | Y1369-E1511 HydrophobicContact CD1-CB 3.57Å; Y1369-E1511 HydrophobicContact CD1-CG 3.76Å; Y1369-E1511 HydrophobicContact CE1-CB 3.54Å; Y1369-E1511 HydrophobicContact CE1-CG 4.09Å; Y1369-E1511 WeakPolarHBondContact CE1-OE2 3.44Å; Y1369-E1511 HydrophobicContact CG-CB 4.42Å; V1463-E1511 WeakPolarHBondContact CG2-OE2 3.43Å; V1488-E1511 WeakPolarHBondContact CG2-OE1 3.42Å; F1507-E1511 WeakPolarHBondContact O-CB 3.18Å; E1511-F1513 VanDerWaalsContact C-N 3.3Å; E1511-F1513 PolarHBondContact O-N 3.25Å; E1511-F1513 VanDerWaalsContact O-N 3.12Å; E1511-S1514 PolarHBondContact O-N 3.31Å; E1511-S1514 VanDerWaalsContact O-N 3.08Å; E1511-S1514 PolarHBondContact O-OG 2.78Å; E1511-S1514 VanDerWaalsContact O-OG 3.13Å; E1511-V1515 WeakPolarHBondContact O-CG2 3.39Å; E1511-V1515 PolarHBondContact O-N 3.05Å |
| 1512 | A | 53 | Low | 57 | Low | 10 Ų | 10 | 48.2 Ų | 48.2 | 8% | 0.083 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -57.5 | -35.6 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | I1387 F1507 F1508 | I1387-A1512 HydrophobicContact CD1-CB 3.49Å; I1387-A1512 VanDerWaalsContact CD1-CB 3.49Å; F1507-A1512 PolarHBondContact O-N 3.46Å; F1508-A1512 HydrophobicContact CD1-CB 4.21Å |
| 1513 | F | 59.2 | Low | 57.4 | Low | 8 Ų | 8 | 46.4 Ų | 46.4 | 4% | 0.035 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -14.6 | -178.4 | -66.6 | -45.7 | 0 | 0 | 0 | 114.7 | Y1414 E1417 R1418 R1421 F1430 P1431 F1508 E1511 | Y1414-F1513 HydrophobicContact CD2-CE1 4.06Å; Y1414-F1513 AromaticContact CD2-CZ 3.79Å; Y1414-F1513 HydrophobicContact CD2-CZ 3.79Å; Y1414-F1513 HydrophobicContact CE2-CD1 4.44Å; Y1414-F1513 AromaticContact CE2-CE1 3.38Å; Y1414-F1513 HydrophobicContact CE2-CE1 3.38Å; Y1414-F1513 AromaticContact CE2-CZ 3.61Å; Y1414-F1513 HydrophobicContact CE2-CZ 3.61Å; Y1414-F1513 AromaticContact CZ-CE1 3.82Å; E1417-F1513 HydrophobicContact CB-CE2 4.05Å; E1417-F1513 HydrophobicContact CG-CD2 4.47Å; E1417-F1513 HydrophobicContact CG-CE2 3.88Å; R1418-F1513 HydrophobicContact CB-CE1 3.7Å; R1418-F1513 HydrophobicContact CB-CE2 4.18Å; R1418-F1513 HydrophobicContact CB-CZ 3.38Å; R1418-F1513 HydrophobicContact CG-CE1 3.84Å; R1418-F1513 HydrophobicContact CG-CZ 4.06Å; R1421-F1513 HydrophobicContact CB-CD2 4.48Å; R1421-F1513 HydrophobicContact CG-CD2 4.07Å; F1430-F1513 HydrophobicContact CD1-CB 3.79Å; F1430-F1513 AromaticContact CD1-CD1 3.9Å; F1430-F1513 HydrophobicContact CD1-CD1 3.9Å; F1430-F1513 AromaticContact CD1-CG 3.9Å; F1430-F1513 HydrophobicContact CD1-CG 3.9Å; F1430-F1513 HydrophobicContact CE1-CB 3.91Å; F1430-F1513 HydrophobicContact CE1-CG 4.31Å; P1431-F1513 HydrophobicContact CG-CD1 4.35Å; F1508-F1513 HydrophobicContact CB-CD2 4.42Å; F1508-F1513 HydrophobicContact CB-CE2 3.81Å; F1508-F1513 HydrophobicContact CB-CZ 4.42Å; F1508-F1513 WeakPolarHBondContact O-CD2 3.28Å; E1511-F1513 VanDerWaalsContact C-N 3.3Å; E1511-F1513 PolarHBondContact O-N 3.25Å; E1511-F1513 VanDerWaalsContact O-N 3.12Å |
| 1514 | S | 56.2 | Low | 58 | Low | 7 Ų | 7 | 47.8 Ų | 47.8 | 5% | 0.049 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -17 | -178.4 | 71.9 | 0 | 0 | 0 | 0 | 112.3 | E1510 E1511 L1516 D1517 W1518 | E1510-S1514 WeakPolarHBondContact O-CB 3.46Å; E1510-S1514 PolarHBondContact O-OG 2.8Å; E1511-S1514 PolarHBondContact O-N 3.31Å; E1511-S1514 VanDerWaalsContact O-N 3.08Å; E1511-S1514 PolarHBondContact O-OG 2.78Å; E1511-S1514 VanDerWaalsContact O-OG 3.13Å; S1514-L1516 VanDerWaalsContact C-N 3.28Å; S1514-L1516 PolarHBondContact O-N 3.42Å; S1514-L1516 VanDerWaalsContact O-N 3.15Å; S1514-D1517 PolarHBondContact O-N 3.46Å; S1514-W1518 VanDerWaalsContact CB-CD1 3.48Å; S1514-W1518 VanDerWaalsContact O-CD1 3.26Å; S1514-W1518 PolarHBondContact O-N 2.92Å; S1514-W1518 PolarHBondContact OG-NE1 3.35Å |
| 1515 | V | 55.3 | Low | 59 | Low | 28 Ų | 28 | 48.4 Ų | 48.4 | 17% | 0.17 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -48.7 | -44.9 | -175.5 | -167.9 | 0 | 0 | 0 | 0 | 113.1 | Y1369 E1511 D1517 W1518 Q1519 | Y1369-V1515 WeakPolarHBondContact OH-CG2 3.21Å; E1511-V1515 WeakPolarHBondContact O-CG2 3.39Å; E1511-V1515 PolarHBondContact O-N 3.05Å; V1515-D1517 PolarHBondContact O-N 3.41Å; V1515-W1518 PolarHBondContact O-N 3.41Å; V1515-Q1519 WeakPolarHBondContact O-CA 3.38Å; V1515-Q1519 WeakPolarHBondContact O-CB 3.4Å; V1515-Q1519 PolarHBondContact O-N 2.94Å |
| 1516 | L | 56 | Low | 59.8 | Low | 72 Ų | 72 | 46.2 Ų | 46.2 | 38% | 0.377 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -68 | -36.6 | -177.2 | -68.9 | 172.3 | 0 | 0 | 0 | 112.7 | S1514 R1520 | S1514-L1516 VanDerWaalsContact C-N 3.28Å; S1514-L1516 PolarHBondContact O-N 3.42Å; S1514-L1516 VanDerWaalsContact O-N 3.15Å; L1516-R1520 WeakPolarHBondContact O-CG 3.15Å; L1516-R1520 PolarHBondContact O-N 3.29Å; L1516-R1520 VanDerWaalsContact O-N 3.08Å |
| 1517 | D | 57.5 | Low | 60.6 | Low | 50 Ų | 50 | 47.1 Ų | 47.1 | 27% | 0.267 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -72.3 | -42.1 | 175.7 | -77.8 | -10 | 0 | 0 | 0 | 110.9 | R1428 S1514 V1515 R1520 T1521 | R1428-D1517 IonicContact CZ-OD2 2.71Å; R1428-D1517 IonicContact NE-OD2 3.34Å; R1428-D1517 PolarHBondContact NE-OD2 3.01Å; R1428-D1517 IonicContact NH2-OD2 3.17Å; R1428-D1517 PolarHBondContact NH2-OD2 3.46Å; S1514-D1517 PolarHBondContact O-N 3.46Å; V1515-D1517 PolarHBondContact O-N 3.41Å; D1517-R1520 PolarHBondContact O-N 2.93Å; D1517-T1521 WeakPolarHBondContact O-CB 3.27Å; D1517-T1521 PolarHBondContact O-N 2.8Å; D1517-T1521 PolarHBondContact O-OG1 2.81Å |
| 1518 | W | 59.1 | Low | 61.3 | Low | 124 Ų | 124 | 49.2 Ų | 49.2 | 47% | 0.47 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61 | -47.3 | 173.8 | -82.9 | 107.8 | 0 | 0 | 0 | 111 | S1514 V1515 R1520 T1521 F1522 | S1514-W1518 VanDerWaalsContact CB-CD1 3.48Å; S1514-W1518 VanDerWaalsContact O-CD1 3.26Å; S1514-W1518 PolarHBondContact O-N 2.92Å; S1514-W1518 PolarHBondContact OG-NE1 3.35Å; V1515-W1518 PolarHBondContact O-N 3.41Å; W1518-R1520 PolarHBondContact O-N 3.39Å; W1518-T1521 PolarHBondContact O-N 2.89Å; W1518-F1522 WeakPolarHBondContact O-CA 3.49Å; W1518-F1522 WeakPolarHBondContact O-CB 3.22Å; W1518-F1522 PolarHBondContact O-N 2.97Å |
| 1519 | Q | 57.7 | Low | 62.1 | Low | 11 Ų | 11 | 49.7 Ų | 49.7 | 5% | 0.051 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.4 | -52.8 | 176.9 | 176.4 | -172.6 | -5.6 | 0 | 0 | 110.1 | L1365 V1515 T1521 F1522 E1523 | L1365-Q1519 VanDerWaalsContact CD1-OE1 3.24Å; V1515-Q1519 WeakPolarHBondContact O-CA 3.38Å; V1515-Q1519 WeakPolarHBondContact O-CB 3.4Å; V1515-Q1519 PolarHBondContact O-N 2.94Å; Q1519-T1521 VanDerWaalsContact C-N 3.29Å; Q1519-T1521 PolarHBondContact O-N 3.49Å; Q1519-F1522 PolarHBondContact O-N 3.4Å; Q1519-E1523 VanDerWaalsContact CG-CD 3.49Å; Q1519-E1523 HydrophobicContact CG-CG 4.07Å; Q1519-E1523 WeakPolarHBondContact CG-OE1 3.33Å; Q1519-E1523 PolarHBondContact NE2-OE1 3.05Å; Q1519-E1523 WeakPolarHBondContact O-CB 3.39Å; Q1519-E1523 WeakPolarHBondContact O-CG 3.44Å; Q1519-E1523 PolarHBondContact O-N 2.82Å |
| 1520 | R | 61.6 | Low | 63.2 | Low | 166 Ų | 166 | 50 Ų | 50 | 63% | 0.626 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -59.2 | -41.5 | 179.1 | -74 | 177.3 | -178.3 | -168.7 | 0.6 | 112.6 | L1516 D1517 W1518 S1524 | L1516-R1520 WeakPolarHBondContact O-CG 3.15Å; L1516-R1520 PolarHBondContact O-N 3.29Å; L1516-R1520 VanDerWaalsContact O-N 3.08Å; D1517-R1520 PolarHBondContact O-N 2.93Å; W1518-R1520 PolarHBondContact O-N 3.39Å; R1520-S1524 VanDerWaalsContact O-CB 3.23Å; R1520-S1524 WeakPolarHBondContact O-CB 3.5Å; R1520-S1524 PolarHBondContact O-N 3.16Å |
| 1521 | T | 63 | Low | 64.6 | Low | 66 Ų | 66 | 45.5 Ų | 45.5 | 41% | 0.405 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -70.9 | -38.8 | -179.8 | -50.6 | 0 | 0 | 0 | 0 | 111.7 | D1517 W1518 Q1519 F1525 Y1685 | D1517-T1521 WeakPolarHBondContact O-CB 3.27Å; D1517-T1521 PolarHBondContact O-N 2.8Å; D1517-T1521 PolarHBondContact O-OG1 2.81Å; W1518-T1521 PolarHBondContact O-N 2.89Å; Q1519-T1521 VanDerWaalsContact C-N 3.29Å; Q1519-T1521 PolarHBondContact O-N 3.49Å; T1521-F1525 WeakPolarHBondContact O-CB 3.45Å; T1521-F1525 PolarHBondContact O-N 3.31Å; T1521-Y1685 PolarHBondContact O-OH 2.81Å |
| 1522 | F | 67.1 | Low | 66 | Low | 32 Ų | 32 | 44 Ų | 44 | 14% | 0.14 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -72.9 | -40.1 | 179.5 | -173.5 | -107.6 | 0 | 0 | 0 | 111.5 | V1484 L1486 W1518 Q1519 F1525 C1526 I1533 V1536 | V1484-F1522 HydrophobicContact CG1-CE1 3.88Å; V1484-F1522 HydrophobicContact CG1-CZ 4.45Å; L1486-F1522 HydrophobicContact CD2-CD1 3.88Å; L1486-F1522 HydrophobicContact CD2-CD2 4.37Å; L1486-F1522 HydrophobicContact CD2-CE1 3.92Å; L1486-F1522 HydrophobicContact CD2-CE2 4.41Å; L1486-F1522 HydrophobicContact CD2-CG 4.1Å; L1486-F1522 HydrophobicContact CD2-CZ 4.17Å; W1518-F1522 WeakPolarHBondContact O-CA 3.49Å; W1518-F1522 WeakPolarHBondContact O-CB 3.22Å; W1518-F1522 PolarHBondContact O-N 2.97Å; Q1519-F1522 PolarHBondContact O-N 3.4Å; F1522-F1525 WeakPolarHBondContact O-CB 3.44Å; F1522-F1525 PolarHBondContact O-N 3.37Å; F1522-C1526 WeakPolarHBondContact O-CB 3.41Å; F1522-C1526 PolarHBondContact O-N 2.5Å; F1522-C1526 PolarHBondContact O-SG 2.88Å; F1522-I1533 HydrophobicContact CD1-CD1 4.33Å; F1522-I1533 HydrophobicContact CD1-CG1 3.91Å; F1522-I1533 HydrophobicContact CE1-CG1 3.66Å; F1522-I1533 WeakPolarHBondContact CE1-O 3.18Å; F1522-V1536 HydrophobicContact CE1-CG2 4.3Å; F1522-V1536 HydrophobicContact CE2-CB 3.88Å; F1522-V1536 HydrophobicContact CE2-CG1 3.76Å; F1522-V1536 HydrophobicContact CE2-CG2 3.98Å; F1522-V1536 HydrophobicContact CZ-CB 3.62Å; F1522-V1536 HydrophobicContact CZ-CG1 4.05Å; F1522-V1536 HydrophobicContact CZ-CG2 3.59Å |
| 1523 | E | 65.5 | Low | 67 | Low | 25 Ų | 25 | 43.9 Ų | 43.9 | 12% | 0.117 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.7 | -48.6 | 171.5 | -73.9 | 175.9 | 176.4 | 0 | 0 | 111.1 | R1181 Q1519 F1525 C1526 D1527 I1533 | R1181-E1523 IonicContact CZ-OE1 2.84Å; R1181-E1523 IonicContact CZ-OE2 2.68Å; R1181-E1523 IonicContact NH1-OE1 3.01Å; R1181-E1523 PolarHBondContact NH1-OE1 3.04Å; R1181-E1523 IonicContact NH1-OE2 3.02Å; R1181-E1523 PolarHBondContact NH1-OE2 3.38Å; R1181-E1523 IonicContact NH2-OE1 3.07Å; R1181-E1523 IonicContact NH2-OE2 3.65Å; R1181-E1523 PolarHBondContact NH2-OE2 3.31Å; Q1519-E1523 VanDerWaalsContact CG-CD 3.49Å; Q1519-E1523 HydrophobicContact CG-CG 4.07Å; Q1519-E1523 WeakPolarHBondContact CG-OE1 3.33Å; Q1519-E1523 PolarHBondContact NE2-OE1 3.05Å; Q1519-E1523 WeakPolarHBondContact O-CB 3.39Å; Q1519-E1523 WeakPolarHBondContact O-CG 3.44Å; Q1519-E1523 PolarHBondContact O-N 2.82Å; E1523-F1525 PolarHBondContact O-N 3.24Å; E1523-C1526 PolarHBondContact O-N 2.84Å; E1523-C1526 VanDerWaalsContact O-N 3.1Å; E1523-D1527 WeakPolarHBondContact O-CB 3.25Å; E1523-D1527 PolarHBondContact O-N 3.19Å; E1523-I1533 HydrophobicContact CG-CD1 3.72Å |
| 1524 | S | 66.4 | Low | 67.7 | Low | 58 Ų | 58 | 44.3 Ų | 44.3 | 41% | 0.406 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.1 | -34.4 | 175.2 | -176.1 | 0 | 0 | 0 | 0 | 111.7 | R1520 H1528 Y1685 | R1520-S1524 VanDerWaalsContact O-CB 3.23Å; R1520-S1524 WeakPolarHBondContact O-CB 3.5Å; R1520-S1524 PolarHBondContact O-N 3.16Å; S1524-H1528 VanDerWaalsContact O-CB 3.24Å; S1524-H1528 WeakPolarHBondContact O-CB 3.48Å; S1524-H1528 PolarHBondContact O-N 2.92Å; S1524-Y1685 VanDerWaalsContact CB-OH 3.29Å; S1524-Y1685 WeakPolarHBondContact CB-OH 3.45Å; S1524-Y1685 PolarHBondContact OG-OH 3.1Å |
| 1525 | F | 73.8 | Confident | 68.9 | Low | 18 Ų | 18 | 44.8 Ų | 44.8 | 8% | 0.079 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.2 | -47.7 | 172 | 171.5 | -91.9 | 0 | 0 | 0 | 112 | T1521 F1522 E1523 D1527 H1528 M1529 V1536 P1540 A1544 Y1685 | T1521-F1525 WeakPolarHBondContact O-CB 3.45Å; T1521-F1525 PolarHBondContact O-N 3.31Å; F1522-F1525 WeakPolarHBondContact O-CB 3.44Å; F1522-F1525 PolarHBondContact O-N 3.37Å; E1523-F1525 PolarHBondContact O-N 3.24Å; F1525-D1527 VanDerWaalsContact C-N 3.31Å; F1525-D1527 PolarHBondContact O-N 2.8Å; F1525-H1528 PolarHBondContact O-N 2.92Å; F1525-M1529 HydrophobicContact CD1-CG 4.41Å; F1525-M1529 HydrophobicContact CD2-CE 4.19Å; F1525-M1529 HydrophobicContact CD2-CG 3.98Å; F1525-M1529 HydrophobicContact CE1-CB 4.48Å; F1525-M1529 HydrophobicContact CE1-CG 4Å; F1525-M1529 HydrophobicContact CE2-CE 3.46Å; F1525-M1529 VanDerWaalsContact CE2-CE 3.46Å; F1525-M1529 HydrophobicContact CE2-CG 3.56Å; F1525-M1529 HydrophobicContact CE2-SD 4.42Å; F1525-M1529 HydrophobicContact CG-CG 4.39Å; F1525-M1529 HydrophobicContact CZ-CB 4.41Å; F1525-M1529 HydrophobicContact CZ-CE 4.08Å; F1525-M1529 HydrophobicContact CZ-CG 3.54Å; F1525-M1529 WeakPolarHBondContact O-CB 3.47Å; F1525-M1529 WeakPolarHBondContact O-CG 3.19Å; F1525-M1529 PolarHBondContact O-N 2.83Å; F1525-V1536 HydrophobicContact CE1-CG1 4.05Å; F1525-P1540 HydrophobicContact CE1-CB 3.78Å; F1525-P1540 HydrophobicContact CE2-CB 4.48Å; F1525-P1540 HydrophobicContact CZ-CB 3.62Å; F1525-A1544 HydrophobicContact CZ-CB 4.23Å; F1525-Y1685 HydrophobicContact CB-CD1 4.33Å; F1525-Y1685 HydrophobicContact CB-CE1 3.7Å; F1525-Y1685 AromaticContact CD2-CD1 3.71Å; F1525-Y1685 HydrophobicContact CD2-CD1 3.71Å; F1525-Y1685 AromaticContact CD2-CE1 3.89Å; F1525-Y1685 HydrophobicContact CD2-CE1 3.89Å; F1525-Y1685 HydrophobicContact CG-CE1 4.31Å; F1525-Y1685 PolarHBondContact N-OH 3.47Å |
| 1526 | C | 75 | Confident | 70 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 3% | 0.027 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.8 | -41.1 | 178.5 | -70.5 | 0 | 0 | 0 | 0 | 111.6 | F1522 E1523 R1530 I1531 V1536 | F1522-C1526 WeakPolarHBondContact O-CB 3.41Å; F1522-C1526 PolarHBondContact O-N 2.5Å; F1522-C1526 PolarHBondContact O-SG 2.88Å; E1523-C1526 PolarHBondContact O-N 2.84Å; E1523-C1526 VanDerWaalsContact O-N 3.1Å; C1526-R1530 CarbonylContact O-C 3.59Å; C1526-R1530 WeakPolarHBondContact O-CA 3.36Å; C1526-R1530 PolarHBondContact O-N 3.37Å; C1526-I1531 WeakPolarHBondContact CB-O 3.48Å; C1526-I1531 PolarHBondContact O-N 3.05Å; C1526-V1536 WeakPolarHBondContact SG-CG2 3.3Å |
| 1527 | D | 69.5 | Low | 70.8 | Confident | 50 Ų | 50 | 43.1 Ų | 43.1 | 27% | 0.267 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -67.5 | -43.8 | 177.3 | -72.7 | -17.2 | 0 | 0 | 0 | 110.8 | N1179 N1292 E1523 F1525 R1530 | N1179-D1527 PolarHBondContact ND2-OD2 3Å; N1292-D1527 PolarHBondContact ND2-OD1 2.94Å; E1523-D1527 WeakPolarHBondContact O-CB 3.25Å; E1523-D1527 PolarHBondContact O-N 3.19Å; F1525-D1527 VanDerWaalsContact C-N 3.31Å; F1525-D1527 PolarHBondContact O-N 2.8Å; D1527-R1530 PolarHBondContact O-N 2.93Å |
| 1528 | H | 72.1 | Confident | 71.3 | Confident | 67 Ų | 67 | 43.7 Ų | 43.7 | 31% | 0.31 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63 | -47.8 | 175.6 | 177.9 | 86.1 | 0 | 0 | 0 | 112.1 | S1524 F1525 R1530 D1683 Y1685 | S1524-H1528 VanDerWaalsContact O-CB 3.24Å; S1524-H1528 WeakPolarHBondContact O-CB 3.48Å; S1524-H1528 PolarHBondContact O-N 2.92Å; F1525-H1528 PolarHBondContact O-N 2.92Å; H1528-R1530 VanDerWaalsContact C-N 3.31Å; H1528-R1530 PolarHBondContact O-N 3.05Å; H1528-D1683 VanDerWaalsContact CE1-CG 3.4Å; H1528-D1683 IonicContact CE1-OD1 3.12Å; H1528-D1683 PolarHBondContact CE1-OD1 3.25Å; H1528-D1683 IonicContact CE1-OD2 3.19Å; H1528-D1683 PolarHBondContact CE1-OD2 3.34Å; H1528-D1683 IonicContact ND1-OD1 3.92Å; H1528-D1683 IonicContact ND1-OD2 2.77Å; H1528-D1683 PolarHBondContact ND1-OD2 2.95Å; H1528-D1683 IonicContact NE2-OD1 2.64Å; H1528-D1683 IonicContact NE2-OD2 2.67Å; H1528-Y1685 HydrophobicContact CB-CD2 3.9Å; H1528-Y1685 HydrophobicContact CB-CE2 4.33Å; H1528-Y1685 HydrophobicContact CB-CG 4.45Å; H1528-Y1685 VanDerWaalsContact CD2-CB 3.43Å; H1528-Y1685 WeakPolarHBondContact CD2-CB 3.4Å; H1528-Y1685 AromaticContact CG-CD2 3.75Å |
| 1529 | M | 75.9 | Confident | 72 | Confident | 9 Ų | 9 | 40.8 Ų | 40.8 | 4% | 0.044 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -81.4 | -8.8 | -178.7 | -62.3 | -57.6 | -166.9 | 0 | 0 | 114 | F1525 I1531 A1544 R1551 Q1689 | F1525-M1529 HydrophobicContact CD1-CG 4.41Å; F1525-M1529 HydrophobicContact CD2-CE 4.19Å; F1525-M1529 HydrophobicContact CD2-CG 3.98Å; F1525-M1529 HydrophobicContact CE1-CB 4.48Å; F1525-M1529 HydrophobicContact CE1-CG 4Å; F1525-M1529 HydrophobicContact CE2-CE 3.46Å; F1525-M1529 VanDerWaalsContact CE2-CE 3.46Å; F1525-M1529 HydrophobicContact CE2-CG 3.56Å; F1525-M1529 HydrophobicContact CE2-SD 4.42Å; F1525-M1529 HydrophobicContact CG-CG 4.39Å; F1525-M1529 HydrophobicContact CZ-CB 4.41Å; F1525-M1529 HydrophobicContact CZ-CE 4.08Å; F1525-M1529 HydrophobicContact CZ-CG 3.54Å; F1525-M1529 WeakPolarHBondContact O-CB 3.47Å; F1525-M1529 WeakPolarHBondContact O-CG 3.19Å; F1525-M1529 PolarHBondContact O-N 2.83Å; M1529-I1531 VanDerWaalsContact C-N 3.34Å; M1529-I1531 HydrophobicContact CB-CD1 3.76Å; M1529-I1531 HydrophobicContact CB-CG1 3.88Å; M1529-I1531 PolarHBondContact O-N 2.89Å; M1529-A1544 HydrophobicContact CB-CB 4.2Å; M1529-A1544 HydrophobicContact CE-CB 3.75Å; M1529-A1544 HydrophobicContact CG-CB 3.76Å; M1529-A1544 HydrophobicContact SD-CB 3.57Å; M1529-A1544 VanDerWaalsContact SD-CB 3.57Å; M1529-R1551 PolarHBondContact O-NH1 2.99Å; M1529-Q1689 HydrophobicContact CE-CG 3.78Å |
| 1530 | R | 78.6 | Confident | 72.8 | Confident | 118 Ų | 118 | 42.2 Ų | 42.2 | 45% | 0.445 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 48.5 | -171.9 | -52.3 | -175.5 | -174.2 | 179 | 4.8 | 112.8 | G1291 N1292 C1526 D1527 H1528 R1551 | G1291-R1530 WeakPolarHBondContact CA-O 3.38Å; N1292-R1530 PolarHBondContact N-O 2.82Å; N1292-R1530 WeakPolarHBondContact OD1-CA 3.47Å; N1292-R1530 WeakPolarHBondContact OD1-CB 3.34Å; C1526-R1530 CarbonylContact O-C 3.59Å; C1526-R1530 WeakPolarHBondContact O-CA 3.36Å; C1526-R1530 PolarHBondContact O-N 3.37Å; D1527-R1530 PolarHBondContact O-N 2.93Å; H1528-R1530 VanDerWaalsContact C-N 3.31Å; H1528-R1530 PolarHBondContact O-N 3.05Å; R1530-R1551 PolarHBondContact O-NH2 2.91Å |
| 1531 | I | 81.8 | Confident | 73.8 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -108.2 | 128.4 | 176.9 | -60.8 | 172.9 | 0 | 0 | 0 | 107.7 | C1526 M1529 I1533 N1535 V1536 F1543 A1544 L1547 | C1526-I1531 WeakPolarHBondContact CB-O 3.48Å; C1526-I1531 PolarHBondContact O-N 3.05Å; M1529-I1531 VanDerWaalsContact C-N 3.34Å; M1529-I1531 HydrophobicContact CB-CD1 3.76Å; M1529-I1531 HydrophobicContact CB-CG1 3.88Å; M1529-I1531 PolarHBondContact O-N 2.89Å; I1531-I1533 PolarHBondContact O-N 3.23Å; I1531-N1535 HydrophobicContact CG2-CB 4.4Å; I1531-V1536 HydrophobicContact CB-CG2 4.44Å; I1531-V1536 HydrophobicContact CG2-CG2 3.87Å; I1531-F1543 HydrophobicContact CD1-CD1 4.02Å; I1531-F1543 HydrophobicContact CD1-CE1 4.2Å; I1531-A1544 HydrophobicContact CD1-CB 4.08Å; I1531-L1547 HydrophobicContact CD1-CD2 4Å; I1531-L1547 HydrophobicContact CG1-CD2 3.46Å; I1531-L1547 VanDerWaalsContact CG1-CD2 3.46Å | ||
| 1532 | P | 81.3 | Confident | 74.9 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.013 | 18% | 0.176 | C | C | . | . | trans | -47.7 | 133.8 | 166.2 | -32.9 | 39.4 | 0 | 0 | 0 | 111.9 | N1182 L1287 G1291 G1534 N1535 | N1182-P1532 WeakPolarHBondContact O-CA 3.29Å; N1182-P1532 VanDerWaalsContact O-CB 3.26Å; N1182-P1532 WeakPolarHBondContact O-CB 3.12Å; L1287-P1532 HydrophobicContact CD2-CB 4.28Å; L1287-P1532 HydrophobicContact CD2-CG 3.62Å; G1291-P1532 VanDerWaalsContact O-CG 3.22Å; G1291-P1532 WeakPolarHBondContact O-CG 3.43Å; P1532-G1534 PolarHBondContact O-N 3.02Å; P1532-G1534 VanDerWaalsContact O-N 3.08Å; P1532-N1535 HydrophobicContact CB-CB 4.08Å; P1532-N1535 VanDerWaalsContact CB-OD1 3.22Å; P1532-N1535 WeakPolarHBondContact CB-OD1 3.25Å; P1532-N1535 PolarHBondContact O-N 2.78Å | ||
| 1533 | I | 74 | Confident | 75.9 | Confident | 6 Ų | 6 | 33.3 Ų | 33.3 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -58.6 | -31.7 | -168.5 | -166.9 | 161.7 | 0 | 0 | 0 | 113.9 | Y1461 V1484 F1522 E1523 I1531 | Y1461-I1533 HydrophobicContact CE1-CD1 4.13Å; Y1461-I1533 HydrophobicContact CE1-CG1 4.42Å; Y1461-I1533 WeakPolarHBondContact OH-CD1 3.35Å; V1484-I1533 HydrophobicContact CG1-CG1 4.29Å; V1484-I1533 WeakPolarHBondContact CG1-O 3.45Å; V1484-I1533 HydrophobicContact CG2-CG2 4.09Å; F1522-I1533 HydrophobicContact CD1-CD1 4.33Å; F1522-I1533 HydrophobicContact CD1-CG1 3.91Å; F1522-I1533 HydrophobicContact CE1-CG1 3.66Å; F1522-I1533 WeakPolarHBondContact CE1-O 3.18Å; E1523-I1533 HydrophobicContact CG-CD1 3.72Å; I1531-I1533 PolarHBondContact O-N 3.23Å |
| 1534 | G | 75.2 | Confident | 76.8 | Confident | 17 Ų | 17 | 32.1 Ų | 32.1 | 18% | 0.175 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -88 | 1.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | N1183 P1532 | N1183-G1534 WeakPolarHBondContact OD1-CA 3.24Å; P1532-G1534 PolarHBondContact O-N 3.02Å; P1532-G1534 VanDerWaalsContact O-N 3.08Å |
| 1535 | N | 81.1 | Confident | 78 | Confident | 18 Ų | 18 | 29.3 Ų | 29.3 | 10% | 0.096 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -113.2 | 16.4 | -176.7 | -63.7 | 111.2 | 0 | 0 | 0 | 113.7 | N1183 V1184 L1287 I1531 P1532 P1537 | N1183-N1535 PolarHBondContact OD1-OD1 3.04Å; V1184-N1535 PolarHBondContact N-OD1 2.78Å; V1184-N1535 PolarHBondContact O-ND2 2.82Å; L1287-N1535 HydrophobicContact CD1-CB 3.91Å; L1287-N1535 HydrophobicContact CD2-CB 3.52Å; L1287-N1535 HydrophobicContact CG-CB 4.37Å; I1531-N1535 HydrophobicContact CG2-CB 4.4Å; P1532-N1535 HydrophobicContact CB-CB 4.08Å; P1532-N1535 VanDerWaalsContact CB-OD1 3.22Å; P1532-N1535 WeakPolarHBondContact CB-OD1 3.25Å; P1532-N1535 PolarHBondContact O-N 2.78Å; N1535-P1537 WeakPolarHBondContact O-CD 3.21Å |
| 1536 | V | 77.4 | Confident | 78.9 | Confident | 18 Ų | 18 | 28.6 Ų | 28.6 | 11% | 0.109 | 15% | 0.147 | C | C | . | . | trans | -78.8 | 120.9 | 174 | -176.8 | 0 | 0 | 0 | 0 | 109.2 | F1522 F1525 C1526 I1531 P1540 | F1522-V1536 HydrophobicContact CE1-CG2 4.3Å; F1522-V1536 HydrophobicContact CE2-CB 3.88Å; F1522-V1536 HydrophobicContact CE2-CG1 3.76Å; F1522-V1536 HydrophobicContact CE2-CG2 3.98Å; F1522-V1536 HydrophobicContact CZ-CB 3.62Å; F1522-V1536 HydrophobicContact CZ-CG1 4.05Å; F1522-V1536 HydrophobicContact CZ-CG2 3.59Å; F1525-V1536 HydrophobicContact CE1-CG1 4.05Å; C1526-V1536 WeakPolarHBondContact SG-CG2 3.3Å; I1531-V1536 HydrophobicContact CB-CG2 4.44Å; I1531-V1536 HydrophobicContact CG2-CG2 3.87Å; V1536-P1540 HydrophobicContact CG1-CB 3.52Å | ||
| 1537 | P | 73.5 | Confident | 79.6 | Confident | 47 Ų | 47 | 28.4 Ų | 28.4 | 31% | 0.305 | 15% | 0.146 | S | C | . | . | trans | -83.1 | 179.1 | -178.8 | 34.1 | -35 | 0 | 0 | 0 | 112.4 | N1535 E1539 P1540 F1543 | N1535-P1537 WeakPolarHBondContact O-CD 3.21Å; P1537-E1539 VanDerWaalsContact C-N 3.3Å; P1537-E1539 PolarHBondContact O-N 2.78Å; P1537-P1540 WeakPolarHBondContact O-CD 2.88Å; P1537-F1543 VanDerWaalsContact CD-CD1 3.46Å; P1537-F1543 HydrophobicContact CG-CB 3.27Å; P1537-F1543 HydrophobicContact CG-CD1 3.54Å; P1537-F1543 HydrophobicContact CG-CD2 3.8Å; P1537-F1543 HydrophobicContact CG-CE1 4.26Å; P1537-F1543 HydrophobicContact CG-CE2 4.47Å; P1537-F1543 HydrophobicContact CG-CG 3.27Å | ||
| 1538 | D | 67.7 | Low | 80.6 | Confident | 61 Ų | 61 | 27.1 Ų | 27.1 | 33% | 0.326 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -59.4 | -33.2 | -177 | -78 | -3.8 | 0 | 0 | 0 | 114.4 | K1485 R1487 P1540 | K1485-D1538 IonicContact NZ-OD1 3.92Å; K1485-D1538 PolarHBondContact NZ-OD1 3.1Å; K1485-D1538 IonicContact NZ-OD2 3.61Å; R1487-D1538 WeakPolarHBondContact CD-O 3.22Å; R1487-D1538 PolarHBondContact NH1-O 3.07Å; D1538-P1540 VanDerWaalsContact C-CD 3.42Å; D1538-P1540 WeakPolarHBondContact O-CD 3.29Å |
| 1539 | E | 73.1 | Confident | 81.7 | Confident | 63 Ų | 63 | 24 Ų | 24 | 29% | 0.294 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -110.8 | 74.3 | 174.8 | -67.8 | -77.2 | 154.6 | 0 | 0 | 109.7 | R1487 P1537 I1541 L1542 F1543 R1695 | R1487-E1539 IonicContact NH1-OE1 2.74Å; R1487-E1539 PolarHBondContact NH1-OE1 3.11Å; P1537-E1539 VanDerWaalsContact C-N 3.3Å; P1537-E1539 PolarHBondContact O-N 2.78Å; E1539-I1541 VanDerWaalsContact C-N 3.3Å; E1539-I1541 PolarHBondContact O-N 3.07Å; E1539-L1542 HydrophobicContact CB-CB 4.39Å; E1539-L1542 HydrophobicContact CB-CD1 4.23Å; E1539-L1542 HydrophobicContact CB-CG 4.37Å; E1539-L1542 HydrophobicContact CG-CD1 4.46Å; E1539-L1542 PolarHBondContact O-N 2.82Å; E1539-F1543 PolarHBondContact O-N 2.93Å; E1539-R1695 IonicContact OE1-NH2 2.98Å; E1539-R1695 IonicContact OE2-CZ 3.83Å; E1539-R1695 IonicContact OE2-NH1 3.82Å; E1539-R1695 IonicContact OE2-NH2 3.49Å; E1539-R1695 PolarHBondContact OE2-NH2 3.06Å |
| 1540 | P | 76.2 | Confident | 82.5 | Confident | 42 Ų | 42 | 23.5 Ų | 23.5 | 27% | 0.273 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -62.3 | -36.2 | -167.4 | 24.6 | -35.9 | 0 | 0 | 0 | 113 | F1525 V1536 P1537 D1538 A1544 | F1525-P1540 HydrophobicContact CE1-CB 3.78Å; F1525-P1540 HydrophobicContact CE2-CB 4.48Å; F1525-P1540 HydrophobicContact CZ-CB 3.62Å; V1536-P1540 HydrophobicContact CG1-CB 3.52Å; P1537-P1540 WeakPolarHBondContact O-CD 2.88Å; D1538-P1540 VanDerWaalsContact C-CD 3.42Å; D1538-P1540 WeakPolarHBondContact O-CD 3.29Å; P1540-A1544 WeakPolarHBondContact O-CB 2.94Å; P1540-A1544 PolarHBondContact O-N 2.8Å |
| 1541 | I | 81.4 | Confident | 83.1 | Confident | 43 Ų | 43 | 20.6 Ų | 20.6 | 22% | 0.221 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.5 | -49 | -179.2 | -60 | 171.4 | 0 | 0 | 0 | 110.2 | E1539 A1544 A1545 N1688 Q1689 H1692 | E1539-I1541 VanDerWaalsContact C-N 3.3Å; E1539-I1541 PolarHBondContact O-N 3.07Å; I1541-A1544 PolarHBondContact O-N 2.86Å; I1541-A1545 PolarHBondContact O-N 3.31Å; I1541-A1545 VanDerWaalsContact O-N 3.13Å; I1541-N1688 HydrophobicContact CD1-CB 4.36Å; I1541-Q1689 PolarHBondContact O-NE2 3.44Å; I1541-Q1689 PolarHBondContact O-OE1 3.07Å; I1541-H1692 HydrophobicContact CG2-CB 4.01Å |
| 1542 | L | 87.1 | Confident | 83.6 | Confident | 4 Ų | 4 | 23.5 Ų | 23.5 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.9 | -40.5 | -178.2 | -51.5 | -179.6 | 0 | 0 | 0 | 111.7 | E1539 A1544 A1545 D1546 H1692 R1695 W1696 M1702 | E1539-L1542 HydrophobicContact CB-CB 4.39Å; E1539-L1542 HydrophobicContact CB-CD1 4.23Å; E1539-L1542 HydrophobicContact CB-CG 4.37Å; E1539-L1542 HydrophobicContact CG-CD1 4.46Å; E1539-L1542 PolarHBondContact O-N 2.82Å; L1542-A1544 VanDerWaalsContact C-N 3.34Å; L1542-A1544 PolarHBondContact O-N 2.91Å; L1542-A1545 WeakPolarHBondContact O-CB 3.4Å; L1542-A1545 PolarHBondContact O-N 3.04Å; L1542-D1546 PolarHBondContact O-N 3.22Å; L1542-D1546 VanDerWaalsContact O-N 3.14Å; L1542-H1692 HydrophobicContact CD2-CB 4.14Å; L1542-R1695 HydrophobicContact CD2-CG 4.27Å; L1542-W1696 HydrophobicContact CD2-CB 3.89Å; L1542-W1696 VanDerWaalsContact O-CD1 3.31Å; L1542-M1702 HydrophobicContact CB-CE 3.96Å; L1542-M1702 HydrophobicContact CB-SD 3.36Å; L1542-M1702 WeakPolarHBondContact CB-SD 3.38Å; L1542-M1702 HydrophobicContact CD1-CE 3.92Å; L1542-M1702 HydrophobicContact CD1-SD 4.22Å; L1542-M1702 HydrophobicContact CG-SD 4.41Å |
| 1543 | F | 87.4 | Confident | 84.2 | Confident | 29 Ų | 29 | 23.4 Ų | 23.4 | 13% | 0.127 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.2 | -37.9 | 174.8 | 178 | -101.8 | 0 | 0 | 0 | 112.6 | F1284 L1287 I1531 P1537 E1539 A1545 D1546 L1547 | F1284-F1543 AromaticContact CD2-CE2 3.67Å; F1284-F1543 HydrophobicContact CD2-CE2 3.67Å; F1284-F1543 AromaticContact CD2-CZ 3.93Å; F1284-F1543 HydrophobicContact CD2-CZ 3.93Å; F1284-F1543 AromaticContact CE2-CE2 3.96Å; F1284-F1543 HydrophobicContact CE2-CE2 3.96Å; F1284-F1543 HydrophobicContact CE2-CZ 4.27Å; L1287-F1543 HydrophobicContact CD1-CE1 4.42Å; L1287-F1543 HydrophobicContact CD1-CZ 3.94Å; I1531-F1543 HydrophobicContact CD1-CD1 4.02Å; I1531-F1543 HydrophobicContact CD1-CE1 4.2Å; P1537-F1543 VanDerWaalsContact CD-CD1 3.46Å; P1537-F1543 HydrophobicContact CG-CB 3.27Å; P1537-F1543 HydrophobicContact CG-CD1 3.54Å; P1537-F1543 HydrophobicContact CG-CD2 3.8Å; P1537-F1543 HydrophobicContact CG-CE1 4.26Å; P1537-F1543 HydrophobicContact CG-CE2 4.47Å; P1537-F1543 HydrophobicContact CG-CG 3.27Å; E1539-F1543 PolarHBondContact O-N 2.93Å; F1543-A1545 PolarHBondContact O-N 3.22Å; F1543-D1546 WeakPolarHBondContact O-CB 3.43Å; F1543-D1546 PolarHBondContact O-N 3.08Å; F1543-L1547 HydrophobicContact CE1-CD2 4.35Å; F1543-L1547 WeakPolarHBondContact O-CB 3.14Å; F1543-L1547 PolarHBondContact O-N 2.82Å |
| 1544 | A | 85.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.3 | -30.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1525 M1529 I1531 P1540 I1541 L1542 T1548 Q1689 | F1525-A1544 HydrophobicContact CZ-CB 4.23Å; M1529-A1544 HydrophobicContact CB-CB 4.2Å; M1529-A1544 HydrophobicContact CE-CB 3.75Å; M1529-A1544 HydrophobicContact CG-CB 3.76Å; M1529-A1544 HydrophobicContact SD-CB 3.57Å; M1529-A1544 VanDerWaalsContact SD-CB 3.57Å; I1531-A1544 HydrophobicContact CD1-CB 4.08Å; P1540-A1544 WeakPolarHBondContact O-CB 2.94Å; P1540-A1544 PolarHBondContact O-N 2.8Å; I1541-A1544 PolarHBondContact O-N 2.86Å; L1542-A1544 VanDerWaalsContact C-N 3.34Å; L1542-A1544 PolarHBondContact O-N 2.91Å; A1544-T1548 WeakPolarHBondContact O-CB 3.3Å; A1544-T1548 PolarHBondContact O-N 3.34Å; A1544-T1548 PolarHBondContact O-OG1 2.9Å; A1544-Q1689 VanDerWaalsContact CB-NE2 3.35Å |
| 1545 | A | 90.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67 | -44.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1541 L1542 F1543 L1547 T1548 Y1549 W1674 W1696 | I1541-A1545 PolarHBondContact O-N 3.31Å; I1541-A1545 VanDerWaalsContact O-N 3.13Å; L1542-A1545 WeakPolarHBondContact O-CB 3.4Å; L1542-A1545 PolarHBondContact O-N 3.04Å; F1543-A1545 PolarHBondContact O-N 3.22Å; A1545-L1547 PolarHBondContact O-N 2.9Å; A1545-T1548 PolarHBondContact O-N 3.1Å; A1545-Y1549 VanDerWaalsContact O-CB 3.29Å; A1545-Y1549 WeakPolarHBondContact O-CB 3.49Å; A1545-Y1549 PolarHBondContact O-N 3.24Å; A1545-W1674 HydrophobicContact CB-CH2 3.99Å; A1545-W1696 HydrophobicContact CB-CB 4.29Å; A1545-W1696 HydrophobicContact CB-CD2 3.56Å; A1545-W1696 HydrophobicContact CB-CE3 4.12Å; A1545-W1696 HydrophobicContact CB-CG 3.59Å; A1545-W1696 HydrophobicContact CB-CZ2 4.36Å |
| 1546 | D | 92.4 | Very high | 85.9 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.011 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.1 | -49.9 | 172.2 | -88.8 | -15.6 | 0 | 0 | 0 | 111.6 | F1284 L1542 F1543 T1548 Y1549 A1550 W1696 L1703 L1704 | F1284-D1546 HydrophobicContact CE2-CB 4.17Å; F1284-D1546 HydrophobicContact CZ-CB 4.27Å; L1542-D1546 PolarHBondContact O-N 3.22Å; L1542-D1546 VanDerWaalsContact O-N 3.14Å; F1543-D1546 WeakPolarHBondContact O-CB 3.43Å; F1543-D1546 PolarHBondContact O-N 3.08Å; D1546-T1548 PolarHBondContact O-N 2.92Å; D1546-Y1549 PolarHBondContact O-N 3.41Å; D1546-A1550 VanDerWaalsContact O-CB 3.23Å; D1546-A1550 WeakPolarHBondContact O-CB 3.45Å; D1546-A1550 PolarHBondContact O-N 3.46Å; D1546-W1696 PolarHBondContact OD1-NE1 3.12Å; D1546-L1703 PolarHBondContact OD2-N 3.48Å; D1546-L1704 WeakPolarHBondContact O-CD1 3.38Å; D1546-L1704 WeakPolarHBondContact OD1-CB 3.42Å; D1546-L1704 PolarHBondContact OD1-N 2.98Å |
| 1547 | L | 90.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.2 | -41.9 | -177.4 | -169.8 | 68.3 | 0 | 0 | 0 | 111.8 | F1284 L1287 M1288 I1531 F1543 A1545 R1551 | F1284-L1547 HydrophobicContact CD2-CD1 4.4Å; F1284-L1547 HydrophobicContact CE2-CB 4.38Å; F1284-L1547 HydrophobicContact CE2-CD1 3.99Å; F1284-L1547 HydrophobicContact CZ-CD1 4.41Å; L1287-L1547 HydrophobicContact CB-CD1 4.14Å; M1288-L1547 HydrophobicContact CB-CD1 4Å; I1531-L1547 HydrophobicContact CD1-CD2 4Å; I1531-L1547 HydrophobicContact CG1-CD2 3.46Å; I1531-L1547 VanDerWaalsContact CG1-CD2 3.46Å; F1543-L1547 HydrophobicContact CE1-CD2 4.35Å; F1543-L1547 WeakPolarHBondContact O-CB 3.14Å; F1543-L1547 PolarHBondContact O-N 2.82Å; A1545-L1547 PolarHBondContact O-N 2.9Å; L1547-R1551 WeakPolarHBondContact O-CD 3.4Å; L1547-R1551 VanDerWaalsContact O-CG 3.26Å; L1547-R1551 WeakPolarHBondContact O-CG 3.22Å; L1547-R1551 PolarHBondContact O-N 3.41Å; L1547-R1551 VanDerWaalsContact O-N 3.08Å |
| 1548 | T | 89.8 | Confident | 87.5 | Confident | 23 Ų | 23 | 35.5 Ų | 35.5 | 14% | 0.141 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.7 | -47.5 | 177.3 | -58 | 0 | 0 | 0 | 0 | 110.1 | A1544 A1545 D1546 A1550 R1551 Y1552 M1670 W1674 | A1544-T1548 WeakPolarHBondContact O-CB 3.3Å; A1544-T1548 PolarHBondContact O-N 3.34Å; A1544-T1548 PolarHBondContact O-OG1 2.9Å; A1545-T1548 PolarHBondContact O-N 3.1Å; D1546-T1548 PolarHBondContact O-N 2.92Å; T1548-A1550 PolarHBondContact O-N 3.31Å; T1548-R1551 WeakPolarHBondContact O-CB 3.47Å; T1548-R1551 PolarHBondContact O-N 2.85Å; T1548-Y1552 HydrophobicContact CG2-CD2 4.04Å; T1548-Y1552 HydrophobicContact CG2-CE2 3.85Å; T1548-Y1552 VanDerWaalsContact O-CD2 3.29Å; T1548-Y1552 WeakPolarHBondContact O-CD2 3.42Å; T1548-Y1552 PolarHBondContact O-N 3.44Å; T1548-M1670 HydrophobicContact CG2-CG 4.01Å; T1548-M1670 HydrophobicContact CG2-SD 3.72Å; T1548-W1674 HydrophobicContact CG2-CZ2 4.35Å |
| 1549 | Y | 94.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 0% | 0.004 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.3 | -39.9 | -179.9 | -170.8 | -138.4 | 0 | 0 | 0 | 112.2 | A1545 D1546 R1551 Y1552 L1553 W1561 P1663 L1666 L1667 M1670 W1696 L1704 L1709 | A1545-Y1549 VanDerWaalsContact O-CB 3.29Å; A1545-Y1549 WeakPolarHBondContact O-CB 3.49Å; A1545-Y1549 PolarHBondContact O-N 3.24Å; D1546-Y1549 PolarHBondContact O-N 3.41Å; Y1549-R1551 VanDerWaalsContact C-N 3.28Å; Y1549-R1551 PolarHBondContact O-N 3.28Å; Y1549-Y1552 WeakPolarHBondContact O-CB 3.37Å; Y1549-Y1552 PolarHBondContact O-N 3.15Å; Y1549-Y1552 VanDerWaalsContact O-N 3.11Å; Y1549-L1553 HydrophobicContact CD1-CD1 3.94Å; Y1549-L1553 HydrophobicContact CD2-CD1 4.47Å; Y1549-L1553 HydrophobicContact CD2-CG 4.26Å; Y1549-L1553 HydrophobicContact CE1-CD1 3.79Å; Y1549-L1553 HydrophobicContact CE1-CG 4.4Å; Y1549-L1553 HydrophobicContact CE2-CD1 4.31Å; Y1549-L1553 HydrophobicContact CE2-CD2 4.09Å; Y1549-L1553 HydrophobicContact CE2-CG 4.03Å; Y1549-L1553 HydrophobicContact CG-CD1 4.28Å; Y1549-L1553 WeakPolarHBondContact O-CG 3.23Å; Y1549-L1553 PolarHBondContact O-N 2.89Å; Y1549-W1561 HydrophobicContact CE1-CH2 4.24Å; Y1549-W1561 AromaticContact CE1-CZ2 3.9Å; Y1549-W1561 HydrophobicContact CE1-CZ2 3.9Å; Y1549-P1663 PolarHBondContact OH-O 2.9Å; Y1549-L1666 HydrophobicContact CE2-CB 4.33Å; Y1549-L1667 HydrophobicContact CD2-CD1 4.42Å; Y1549-L1667 HydrophobicContact CE2-CB 3.95Å; Y1549-L1667 HydrophobicContact CE2-CD1 4.18Å; Y1549-M1670 HydrophobicContact CD2-CE 4.24Å; Y1549-M1670 HydrophobicContact CD2-SD 4.29Å; Y1549-M1670 HydrophobicContact CG-CE 4.3Å; Y1549-M1670 HydrophobicContact CG-SD 4.42Å; Y1549-W1696 AromaticContact CD1-CH2 3.55Å; Y1549-W1696 HydrophobicContact CD1-CH2 3.55Å; Y1549-W1696 AromaticContact CD1-CZ2 3.75Å; Y1549-W1696 HydrophobicContact CD1-CZ2 3.75Å; Y1549-W1696 HydrophobicContact CE1-CH2 4.26Å; Y1549-W1696 AromaticContact CG-CH2 3.75Å; Y1549-W1696 HydrophobicContact CG-CH2 3.75Å; Y1549-W1696 HydrophobicContact CG-CZ2 4.11Å; Y1549-L1704 HydrophobicContact CD1-CB 4.39Å; Y1549-L1704 HydrophobicContact CD1-CD1 3.77Å; Y1549-L1704 HydrophobicContact CG-CD1 4.34Å; Y1549-L1709 HydrophobicContact CE1-CD1 4.22Å |
| 1550 | A | 92.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.8 | -41.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1284 M1288 D1546 T1548 L1553 H1554 L1560 L1704 | F1284-A1550 HydrophobicContact CE1-CB 3.76Å; F1284-A1550 HydrophobicContact CZ-CB 3.66Å; M1288-A1550 HydrophobicContact CG-CB 4.13Å; M1288-A1550 HydrophobicContact SD-CB 3.84Å; D1546-A1550 VanDerWaalsContact O-CB 3.23Å; D1546-A1550 WeakPolarHBondContact O-CB 3.45Å; D1546-A1550 PolarHBondContact O-N 3.46Å; T1548-A1550 PolarHBondContact O-N 3.31Å; A1550-L1553 PolarHBondContact O-N 3.42Å; A1550-H1554 WeakPolarHBondContact O-CB 3.4Å; A1550-H1554 PolarHBondContact O-N 2.83Å; A1550-L1560 HydrophobicContact CB-CD1 4.47Å; A1550-L1560 HydrophobicContact CB-CD2 4.21Å; A1550-L1704 HydrophobicContact CB-CD1 3.91Å |
| 1551 | R | 91.5 | Very high | 90.4 | Very high | 56 Ų | 56 | 27.8 Ų | 27.8 | 21% | 0.211 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.2 | -40.8 | 175.6 | -72.1 | 166 | 175.8 | 161.1 | -0.1 | 112 | L1287 M1288 M1529 R1530 L1547 T1548 Y1549 R1555 | L1287-R1551 PolarHBondContact O-NH2 2.83Å; L1287-R1551 VanDerWaalsContact O-NH2 3.12Å; M1288-R1551 HydrophobicContact CG-CG 3.94Å; M1529-R1551 PolarHBondContact O-NH1 2.99Å; R1530-R1551 PolarHBondContact O-NH2 2.91Å; L1547-R1551 WeakPolarHBondContact O-CD 3.4Å; L1547-R1551 VanDerWaalsContact O-CG 3.26Å; L1547-R1551 WeakPolarHBondContact O-CG 3.22Å; L1547-R1551 PolarHBondContact O-N 3.41Å; L1547-R1551 VanDerWaalsContact O-N 3.08Å; T1548-R1551 WeakPolarHBondContact O-CB 3.47Å; T1548-R1551 PolarHBondContact O-N 2.85Å; Y1549-R1551 VanDerWaalsContact C-N 3.28Å; Y1549-R1551 PolarHBondContact O-N 3.28Å; R1551-R1555 WeakPolarHBondContact O-CB 3.15Å; R1551-R1555 PolarHBondContact O-N 3.24Å |
| 1552 | Y | 92.2 | Very high | 90.8 | Very high | 61 Ų | 61 | 25.7 Ų | 25.7 | 24% | 0.239 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.7 | -49.6 | 173.3 | -86.6 | -83.2 | 0 | 0 | 0 | 111.6 | T1548 Y1549 N1556 L1666 V1669 M1670 D1673 | T1548-Y1552 HydrophobicContact CG2-CD2 4.04Å; T1548-Y1552 HydrophobicContact CG2-CE2 3.85Å; T1548-Y1552 VanDerWaalsContact O-CD2 3.29Å; T1548-Y1552 WeakPolarHBondContact O-CD2 3.42Å; T1548-Y1552 PolarHBondContact O-N 3.44Å; Y1549-Y1552 WeakPolarHBondContact O-CB 3.37Å; Y1549-Y1552 PolarHBondContact O-N 3.15Å; Y1549-Y1552 VanDerWaalsContact O-N 3.11Å; Y1552-N1556 PolarHBondContact O-N 3.08Å; Y1552-N1556 PolarHBondContact O-ND2 3.22Å; Y1552-L1666 HydrophobicContact CD1-CD2 4.49Å; Y1552-V1669 HydrophobicContact CE1-CG1 4Å; Y1552-M1670 HydrophobicContact CD2-CB 4.07Å; Y1552-M1670 HydrophobicContact CD2-CG 4.06Å; Y1552-M1670 HydrophobicContact CD2-SD 4.29Å; Y1552-M1670 HydrophobicContact CE2-CB 4.03Å; Y1552-M1670 HydrophobicContact CE2-CG 3.91Å; Y1552-D1673 PolarHBondContact OH-OD2 3.22Å |
| 1553 | L | 93.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.3 | -51 | 179.2 | -70 | 171 | 0 | 0 | 0 | 111.4 | Y1549 A1550 R1555 N1556 G1557 C1558 L1560 W1561 P1663 L1666 L1704 | Y1549-L1553 HydrophobicContact CD1-CD1 3.94Å; Y1549-L1553 HydrophobicContact CD2-CD1 4.47Å; Y1549-L1553 HydrophobicContact CD2-CG 4.26Å; Y1549-L1553 HydrophobicContact CE1-CD1 3.79Å; Y1549-L1553 HydrophobicContact CE1-CG 4.4Å; Y1549-L1553 HydrophobicContact CE2-CD1 4.31Å; Y1549-L1553 HydrophobicContact CE2-CD2 4.09Å; Y1549-L1553 HydrophobicContact CE2-CG 4.03Å; Y1549-L1553 HydrophobicContact CG-CD1 4.28Å; Y1549-L1553 WeakPolarHBondContact O-CG 3.23Å; Y1549-L1553 PolarHBondContact O-N 2.89Å; A1550-L1553 PolarHBondContact O-N 3.42Å; L1553-R1555 PolarHBondContact O-N 3.24Å; L1553-N1556 CarbonylContact O-C 3.5Å; L1553-N1556 PolarHBondContact O-N 3.27Å; L1553-G1557 PolarHBondContact O-N 3.21Å; L1553-C1558 HydrophobicContact CB-CB 3.94Å; L1553-C1558 HydrophobicContact CD2-CB 3.83Å; L1553-C1558 HydrophobicContact CG-CB 4.5Å; L1553-C1558 WeakPolarHBondContact O-CB 2.97Å; L1553-C1558 PolarHBondContact O-N 3.02Å; L1553-L1560 HydrophobicContact CB-CD2 3.78Å; L1553-L1560 HydrophobicContact CD1-CD2 3.93Å; L1553-W1561 HydrophobicContact CD1-CH2 3.55Å; L1553-W1561 HydrophobicContact CD1-CZ2 4.08Å; L1553-W1561 HydrophobicContact CD1-CZ3 3.98Å; L1553-W1561 HydrophobicContact CD2-CH2 3.92Å; L1553-W1561 HydrophobicContact CD2-CZ3 4.27Å; L1553-W1561 HydrophobicContact CG-CH2 4.41Å; L1553-P1663 HydrophobicContact CD2-CB 4.03Å; L1553-P1663 HydrophobicContact CD2-CG 4.21Å; L1553-L1666 HydrophobicContact CD2-CD1 4.1Å; L1553-L1704 HydrophobicContact CD1-CD1 4.22Å; L1553-L1704 HydrophobicContact CD1-CD2 4.37Å |
| 1554 | H | 89 | Confident | 90.2 | Very high | 56 Ų | 56 | 29 Ų | 29 | 26% | 0.259 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -62.4 | -43.5 | -177.5 | -172.1 | 71.6 | 0 | 0 | 0 | 112.2 | M1288 A1550 N1556 G1557 | M1288-H1554 HydrophobicContact CE-CB 4.23Å; M1288-H1554 HydrophobicContact SD-CB 3.92Å; A1550-H1554 WeakPolarHBondContact O-CB 3.4Å; A1550-H1554 PolarHBondContact O-N 2.83Å; H1554-N1556 VanDerWaalsContact C-N 3.25Å; H1554-N1556 PolarHBondContact O-N 2.91Å; H1554-G1557 PolarHBondContact O-N 3.47Å |
| 1555 | R | 87.1 | Confident | 89.9 | Confident | 222 Ų | 222 | 32.2 Ų | 32.2 | 84% | 0.838 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -63.3 | -30.7 | 177.6 | -176.3 | 177.7 | 178.5 | -178.2 | 1 | 112.6 | R1551 L1553 | R1551-R1555 WeakPolarHBondContact O-CB 3.15Å; R1551-R1555 PolarHBondContact O-N 3.24Å; L1553-R1555 PolarHBondContact O-N 3.24Å |
| 1556 | N | 91.1 | Very high | 88.9 | Confident | 61 Ų | 61 | 35.6 Ų | 35.6 | 33% | 0.326 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 18.8 | 178.8 | -67.8 | -85.2 | 0 | 0 | 0 | 112.7 | Y1552 L1553 H1554 C1558 L1666 | Y1552-N1556 PolarHBondContact O-N 3.08Å; Y1552-N1556 PolarHBondContact O-ND2 3.22Å; L1553-N1556 CarbonylContact O-C 3.5Å; L1553-N1556 PolarHBondContact O-N 3.27Å; H1554-N1556 VanDerWaalsContact C-N 3.25Å; H1554-N1556 PolarHBondContact O-N 2.91Å; N1556-C1558 VanDerWaalsContact C-N 3.3Å; N1556-C1558 PolarHBondContact O-N 2.88Å; N1556-L1666 HydrophobicContact CB-CD1 3.67Å; N1556-L1666 HydrophobicContact CB-CD2 4.16Å; N1556-L1666 VanDerWaalsContact ND2-CD2 3.33Å; N1556-L1666 WeakPolarHBondContact ND2-CD2 3.25Å |
| 1557 | G | 89.9 | Confident | 88.1 | Confident | 19 Ų | 19 | 39.6 Ų | 39.6 | 20% | 0.196 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75 | 12.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | R1235 I1236 L1553 H1554 | R1235-G1557 CarbonylContact C-O 3.43Å; R1235-G1557 WeakPolarHBondContact CA-O 3.34Å; R1235-G1557 WeakPolarHBondContact CB-O 3.31Å; R1235-G1557 VanDerWaalsContact CD-O 3.28Å; R1235-G1557 WeakPolarHBondContact CD-O 3.34Å; I1236-G1557 PolarHBondContact N-O 2.92Å; L1553-G1557 PolarHBondContact O-N 3.21Å; H1554-G1557 PolarHBondContact O-N 3.47Å |
| 1558 | C | 92.9 | Very high | 87.9 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.014 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -81.4 | 142.4 | 176.1 | -62.1 | 0 | 0 | 0 | 0 | 111.4 | L1553 N1556 | L1553-C1558 HydrophobicContact CB-CB 3.94Å; L1553-C1558 HydrophobicContact CD2-CB 3.83Å; L1553-C1558 HydrophobicContact CG-CB 4.5Å; L1553-C1558 WeakPolarHBondContact O-CB 2.97Å; L1553-C1558 PolarHBondContact O-N 3.02Å; N1556-C1558 VanDerWaalsContact C-N 3.3Å; N1556-C1558 PolarHBondContact O-N 2.88Å |
| 1559 | I | 92.4 | Very high | 87.8 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -77.8 | 137.9 | 169.2 | -60.6 | -165.3 | 0 | 0 | 0 | 109.3 | Y1215 R1235 I1236 L1237 L1246 Y1276 E1277 | Y1215-I1559 HydrophobicContact CD1-CD1 4.09Å; Y1215-I1559 HydrophobicContact CD2-CD1 4Å; Y1215-I1559 HydrophobicContact CD2-CG1 4.48Å; Y1215-I1559 HydrophobicContact CD2-CG2 4.21Å; Y1215-I1559 HydrophobicContact CG-CD1 3.73Å; R1235-I1559 HydrophobicContact CB-CD1 4.09Å; R1235-I1559 HydrophobicContact CB-CG1 3.7Å; R1235-I1559 HydrophobicContact CG-CG1 4.4Å; I1236-I1559 PolarHBondContact O-N 3.12Å; L1237-I1559 HydrophobicContact CD2-CD1 3.41Å; L1237-I1559 VanDerWaalsContact CD2-CD1 3.41Å; L1237-I1559 HydrophobicContact CD2-CG1 4.31Å; L1246-I1559 HydrophobicContact CD1-CD1 4.26Å; L1246-I1559 HydrophobicContact CD2-CD1 3.93Å; Y1276-I1559 HydrophobicContact CG-CG2 4.49Å; E1277-I1559 HydrophobicContact CG-CG2 3.67Å |
| 1560 | L | 93.7 | Very high | 87.3 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -81.1 | 144.5 | 177.5 | -53.3 | 177 | 0 | 0 | 0 | 111 | E1277 V1280 M1288 A1550 L1553 L1704 | E1277-L1560 HydrophobicContact CG-CB 4.04Å; E1277-L1560 WeakPolarHBondContact CG-O 3.4Å; E1277-L1560 PolarHBondContact OE1-N 3.49Å; V1280-L1560 HydrophobicContact CG2-CB 4.4Å; M1288-L1560 HydrophobicContact CE-CD1 4.4Å; M1288-L1560 HydrophobicContact SD-CD1 3.78Å; A1550-L1560 HydrophobicContact CB-CD1 4.47Å; A1550-L1560 HydrophobicContact CB-CD2 4.21Å; L1553-L1560 HydrophobicContact CB-CD2 3.78Å; L1553-L1560 HydrophobicContact CD1-CD2 3.93Å; L1560-L1704 HydrophobicContact CB-CD2 4.39Å; L1560-L1704 HydrophobicContact CD2-CD2 4.38Å |
| 1561 | W | 92.6 | Very high | 86.7 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.008 | 20% | 0.195 | C | C | . | . | trans | -107.8 | 32.3 | 173.3 | 52.4 | 85.7 | 0 | 0 | 0 | 111.5 | P1238 Y1549 L1553 S1563 P1568 D1569 L1570 P1663 L1704 L1709 | P1238-W1561 HydrophobicContact CB-CE3 4.01Å; P1238-W1561 HydrophobicContact CG-CB 4.44Å; P1238-W1561 HydrophobicContact CG-CE3 4.03Å; Y1549-W1561 HydrophobicContact CE1-CH2 4.24Å; Y1549-W1561 AromaticContact CE1-CZ2 3.9Å; Y1549-W1561 HydrophobicContact CE1-CZ2 3.9Å; L1553-W1561 HydrophobicContact CD1-CH2 3.55Å; L1553-W1561 HydrophobicContact CD1-CZ2 4.08Å; L1553-W1561 HydrophobicContact CD1-CZ3 3.98Å; L1553-W1561 HydrophobicContact CD2-CH2 3.92Å; L1553-W1561 HydrophobicContact CD2-CZ3 4.27Å; L1553-W1561 HydrophobicContact CG-CH2 4.41Å; W1561-S1563 PolarHBondContact O-N 2.92Å; W1561-P1568 HydrophobicContact CB-CB 4.21Å; W1561-P1568 HydrophobicContact CG-CB 4.29Å; W1561-D1569 WeakPolarHBondContact CA-O 3.43Å; W1561-D1569 VanDerWaalsContact CB-O 3.27Å; W1561-D1569 WeakPolarHBondContact CB-O 3.2Å; W1561-D1569 PolarHBondContact O-N 3.42Å; W1561-D1569 VanDerWaalsContact O-N 3.09Å; W1561-L1570 HydrophobicContact CB-CD2 4.31Å; W1561-P1663 HydrophobicContact CH2-CB 3.88Å; W1561-P1663 HydrophobicContact CH2-CG 4.21Å; W1561-P1663 HydrophobicContact CZ3-CB 4.4Å; W1561-P1663 HydrophobicContact CZ3-CG 4.23Å; W1561-L1704 HydrophobicContact CD2-CD2 4.45Å; W1561-L1704 PolarHBondContact NE1-O 3.36Å; W1561-L1709 HydrophobicContact CH2-CD1 4.38Å; W1561-L1709 HydrophobicContact CZ2-CD1 3.76Å | ||
| 1562 | C | 90.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -58.6 | 132.1 | -174.5 | -62.9 | 0 | 0 | 0 | 0 | 111.5 | N1279 V1280 L1703 L1704 | N1279-C1562 CarbonylContact C-O 3.53Å; N1279-C1562 VanDerWaalsContact CB-O 3.23Å; N1279-C1562 WeakPolarHBondContact CB-O 3.28Å; V1280-C1562 HydrophobicContact CB-CB 4.31Å; V1280-C1562 HydrophobicContact CG2-CB 3.79Å; C1562-L1703 CarbonylContact C-O 3.57Å; C1562-L1703 WeakPolarHBondContact CA-O 3.42Å; C1562-L1703 HydrophobicContact CB-CB 4.2Å; C1562-L1704 WeakPolarHBondContact SG-CD2 3.35Å | ||
| 1563 | S | 84.5 | Confident | 84.8 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | trans | -145.9 | 137.4 | 178.4 | -176.1 | 0 | 0 | 0 | 0 | 110.4 | W1561 T1565 Q1567 L1703 | W1561-S1563 PolarHBondContact O-N 2.92Å; S1563-T1565 PolarHBondContact OG-N 3.34Å; S1563-T1565 PolarHBondContact OG-OG1 3.39Å; S1563-Q1567 WeakPolarHBondContact CB-O 3.06Å; S1563-Q1567 PolarHBondContact OG-O 3.34Å; S1563-L1703 PolarHBondContact N-O 2.92Å | ||
| 1564 | S | 77.1 | Confident | 83.5 | Confident | 98 Ų | 98 | 39.6 Ų | 39.6 | 69% | 0.685 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -81.1 | -7.4 | 169.8 | 54.7 | 0 | 0 | 0 | 0 | 112.6 | ||
| 1565 | T | 79 | Confident | 82.2 | Confident | 69 Ų | 69 | 43.6 Ų | 43.6 | 42% | 0.423 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -91 | 172.4 | 175.2 | 75.5 | 0 | 0 | 0 | 0 | 110.4 | S1563 Q1567 | S1563-T1565 PolarHBondContact OG-N 3.34Å; S1563-T1565 PolarHBondContact OG-OG1 3.39Å; T1565-Q1567 PolarHBondContact O-N 2.94Å; T1565-Q1567 VanDerWaalsContact O-N 3.16Å; T1565-Q1567 PolarHBondContact OG1-N 3.35Å; T1565-Q1567 PolarHBondContact OG1-O 2.89Å |
| 1566 | N | 69.9 | Low | 80.8 | Confident | 70 Ų | 70 | 38 Ų | 38 | 37% | 0.374 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -74.6 | 5.8 | 174.4 | 64.5 | -12.4 | 0 | 0 | 0 | 114 | ||
| 1567 | Q | 76.3 | Confident | 79.2 | Confident | 86 Ų | 86 | 35.9 Ų | 35.9 | 40% | 0.402 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -120 | 130.3 | -179.3 | -69 | -178.4 | -6.2 | 0 | 0 | 110.5 | S1563 T1565 V1574 | S1563-Q1567 WeakPolarHBondContact CB-O 3.06Å; S1563-Q1567 PolarHBondContact OG-O 3.34Å; T1565-Q1567 PolarHBondContact O-N 2.94Å; T1565-Q1567 VanDerWaalsContact O-N 3.16Å; T1565-Q1567 PolarHBondContact OG1-N 3.35Å; T1565-Q1567 PolarHBondContact OG1-O 2.89Å; Q1567-V1574 HydrophobicContact CB-CG1 3.81Å; Q1567-V1574 HydrophobicContact CG-CG1 4.02Å |
| 1568 | P | 86.2 | Confident | 77.5 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.013 | 23% | 0.234 | C | C | . | . | trans | -65.7 | 149.3 | 176.5 | 26.3 | -33.3 | 0 | 0 | 0 | 111.6 | W1561 L1570 V1574 L1580 | W1561-P1568 HydrophobicContact CB-CB 4.21Å; W1561-P1568 HydrophobicContact CG-CB 4.29Å; P1568-L1570 HydrophobicContact CB-CD2 4.19Å; P1568-L1570 HydrophobicContact CB-CG 4.15Å; P1568-L1570 HydrophobicContact CG-CD1 4.04Å; P1568-L1570 HydrophobicContact CG-CD2 4.33Å; P1568-L1570 HydrophobicContact CG-CG 3.94Å; P1568-L1570 PolarHBondContact O-N 3.22Å; P1568-L1570 VanDerWaalsContact O-N 3.1Å; P1568-V1574 WeakPolarHBondContact O-CG2 3.49Å; P1568-L1580 HydrophobicContact CG-CD2 4.32Å | ||
| 1569 | D | 86.3 | Confident | 75.8 | Confident | 9 Ų | 9 | 41.6 Ų | 41.6 | 5% | 0.048 | 24% | 0.239 | C | C | . | . | trans | -78.8 | 92.6 | 172.6 | -174.7 | 1.2 | 0 | 0 | 0 | 110.7 | E1277 T1278 N1279 W1561 G1571 | E1277-D1569 PolarHBondContact N-OD2 3.43Å; E1277-D1569 VanDerWaalsContact N-OD2 3.16Å; T1278-D1569 PolarHBondContact N-OD2 3.08Å; T1278-D1569 PolarHBondContact OG1-OD2 3.01Å; N1279-D1569 HydrophobicContact CB-CB 4.5Å; N1279-D1569 PolarHBondContact N-OD2 3.15Å; W1561-D1569 WeakPolarHBondContact CA-O 3.43Å; W1561-D1569 VanDerWaalsContact CB-O 3.27Å; W1561-D1569 WeakPolarHBondContact CB-O 3.2Å; W1561-D1569 PolarHBondContact O-N 3.42Å; W1561-D1569 VanDerWaalsContact O-N 3.09Å; D1569-G1571 PolarHBondContact OD1-N 3.31Å | ||
| 1570 | L | 85.2 | Confident | 73.9 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | trans | -101.6 | 26.9 | 179.1 | -56.5 | 179.8 | 0 | 0 | 0 | 113.2 | P1238 R1241 Y1276 W1561 P1568 V1574 | P1238-L1570 HydrophobicContact CB-CD2 3.74Å; P1238-L1570 HydrophobicContact CG-CD2 4.41Å; R1241-L1570 PolarHBondContact NH1-O 3.26Å; Y1276-L1570 VanDerWaalsContact CE1-C 3.49Å; Y1276-L1570 WeakPolarHBondContact CE1-O 3.29Å; W1561-L1570 HydrophobicContact CB-CD2 4.31Å; P1568-L1570 HydrophobicContact CB-CD2 4.19Å; P1568-L1570 HydrophobicContact CB-CG 4.15Å; P1568-L1570 HydrophobicContact CG-CD1 4.04Å; P1568-L1570 HydrophobicContact CG-CD2 4.33Å; P1568-L1570 HydrophobicContact CG-CG 3.94Å; P1568-L1570 PolarHBondContact O-N 3.22Å; P1568-L1570 VanDerWaalsContact O-N 3.1Å; L1570-V1574 HydrophobicContact CB-CG2 3.92Å; L1570-V1574 HydrophobicContact CG-CG2 4.24Å | ||
| 1571 | G | 79.8 | Confident | 71.9 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 33.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | G1274 I1275 D1569 K1573 | G1274-G1571 VanDerWaalsContact CA-O 3.27Å; G1274-G1571 WeakPolarHBondContact CA-O 3.35Å; I1275-G1571 VanDerWaalsContact O-CA 3.28Å; I1275-G1571 WeakPolarHBondContact O-CA 3.3Å; D1569-G1571 PolarHBondContact OD1-N 3.31Å; G1571-K1573 PolarHBondContact O-N 2.88Å |
| 1572 | G | 72.7 | Confident | 69.9 | Low | 44 Ų | 44 | 47.7 Ų | 47.7 | 45% | 0.454 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | -10.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | V1574 | G1572-V1574 PolarHBondContact O-N 2.7Š|
| 1573 | K | 70.6 | Confident | 67.9 | Low | 66 Ų | 66 | 50.4 Ų | 50.4 | 29% | 0.287 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 11.9 | 179.8 | -65.1 | -61.3 | -165.6 | -178.9 | 0 | 115 | R1241 G1571 D1576 D1577 | R1241-K1573 VanDerWaalsContact NH1-CG 3.31Å; G1571-K1573 PolarHBondContact O-N 2.88Å; K1573-D1576 WeakPolarHBondContact CD-OD2 3.49Å; K1573-D1576 IonicContact NZ-OD2 3.6Å; K1573-D1576 PolarHBondContact NZ-OD2 2.93Å; K1573-D1576 PolarHBondContact O-N 2.9Å; K1573-D1577 PolarHBondContact O-N 3.12Å |
| 1574 | V | 65.9 | Low | 66.3 | Low | 16 Ų | 16 | 54.5 Ų | 54.5 | 10% | 0.097 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -47.4 | 178.4 | 175.5 | 0 | 0 | 0 | 0 | 109.9 | Q1567 P1568 L1570 G1572 D1576 D1577 L1580 | Q1567-V1574 HydrophobicContact CB-CG1 3.81Å; Q1567-V1574 HydrophobicContact CG-CG1 4.02Å; P1568-V1574 WeakPolarHBondContact O-CG2 3.49Å; L1570-V1574 HydrophobicContact CB-CG2 3.92Å; L1570-V1574 HydrophobicContact CG-CG2 4.24Å; G1572-V1574 PolarHBondContact O-N 2.7Å; V1574-D1576 PolarHBondContact O-N 2.83Å; V1574-D1577 PolarHBondContact O-N 3.08Å; V1574-L1580 HydrophobicContact CB-CD1 4.11Å; V1574-L1580 HydrophobicContact CG1-CD1 3.22Å; V1574-L1580 WeakPolarHBondContact O-CD1 3.35Å |
| 1575 | N | 62.2 | Low | 65.1 | Low | 140 Ų | 140 | 51.4 Ų | 51.4 | 75% | 0.749 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -22.4 | -178.9 | -66 | -31.5 | 0 | 0 | 0 | 113.8 | D1577 | N1575-D1577 VanDerWaalsContact C-N 3.33Š|
| 1576 | D | 57.3 | Low | 64.1 | Low | 105 Ų | 105 | 50.2 Ų | 50.2 | 56% | 0.561 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -16.3 | 176.6 | -65.9 | -12.9 | 0 | 0 | 0 | 111.8 | K1573 V1574 V1578 | K1573-D1576 WeakPolarHBondContact CD-OD2 3.49Å; K1573-D1576 IonicContact NZ-OD2 3.6Å; K1573-D1576 PolarHBondContact NZ-OD2 2.93Å; K1573-D1576 PolarHBondContact O-N 2.9Å; V1574-D1576 PolarHBondContact O-N 2.83Å; D1576-V1578 PolarHBondContact O-N 3.35Å |
| 1577 | D | 58.7 | Low | 63.4 | Low | 16 Ų | 16 | 47.1 Ų | 47.1 | 9% | 0.086 | 27% | 0.265 | C | S | . | . | trans | -84.5 | 95.6 | -176.7 | -165.8 | -12 | 0 | 0 | 0 | 111.6 | H1239 K1573 V1574 N1575 R1579 L1580 | H1239-D1577 IonicContact CE1-OD2 2.89Å; K1573-D1577 PolarHBondContact O-N 3.12Å; V1574-D1577 PolarHBondContact O-N 3.08Å; N1575-D1577 VanDerWaalsContact C-N 3.33Å; D1577-R1579 PolarHBondContact O-N 3.09Å; D1577-R1579 WeakPolarHBondContact OD1-CB 3.24Å; D1577-R1579 WeakPolarHBondContact OD1-CG 3.42Å; D1577-R1579 IonicContact OD1-CZ 3.85Å; D1577-R1579 PolarHBondContact OD1-N 3.33Å; D1577-R1579 IonicContact OD1-NE 3.34Å; D1577-R1579 PolarHBondContact OD1-NE 3.44Å; D1577-R1579 IonicContact OD1-NH2 3.76Å; D1577-R1579 IonicContact OD2-CZ 2.72Å; D1577-R1579 IonicContact OD2-NE 3.73Å; D1577-R1579 PolarHBondContact OD2-NE 2.97Å; D1577-R1579 IonicContact OD2-NH2 2.74Å; D1577-R1579 PolarHBondContact OD2-NH2 3.49Å; D1577-L1580 HydrophobicContact CB-CD1 4.19Å; D1577-L1580 HydrophobicContact CB-CG 4.09Å; D1577-L1580 WeakPolarHBondContact O-CB 3.45Å; D1577-L1580 PolarHBondContact O-N 3.4Å | ||
| 1578 | V | 54.7 | Low | 62.5 | Low | 105 Ų | 105 | 44.7 Ų | 44.7 | 64% | 0.636 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -54 | -25.9 | 176.8 | -173.1 | 0 | 0 | 0 | 0 | 111.5 | D1576 L1580 T1581 A1582 | D1576-V1578 PolarHBondContact O-N 3.35Å; V1578-L1580 PolarHBondContact O-N 3.48Å; V1578-T1581 CarbonylContact O-C 3.6Å; V1578-T1581 WeakPolarHBondContact O-CA 3.47Å; V1578-T1581 PolarHBondContact O-N 3.23Å; V1578-T1581 PolarHBondContact O-OG1 2.97Å; V1578-A1582 WeakPolarHBondContact O-CB 3.49Å; V1578-A1582 PolarHBondContact O-N 3.44Å |
| 1579 | R | 56.6 | Low | 61.1 | Low | 36 Ų | 36 | 47.4 Ų | 47.4 | 14% | 0.136 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -63 | -28 | 177.5 | -64.5 | 170.4 | -64.8 | -174 | 6.9 | 113.4 | H1239 D1577 T1581 Q1711 | H1239-R1579 PolarHBondContact CE1-NH2 2.98Å; H1239-R1579 VanDerWaalsContact CE1-NH2 3.31Å; H1239-R1579 PolarHBondContact ND1-NH2 3.45Å; D1577-R1579 PolarHBondContact O-N 3.09Å; D1577-R1579 WeakPolarHBondContact OD1-CB 3.24Å; D1577-R1579 WeakPolarHBondContact OD1-CG 3.42Å; D1577-R1579 IonicContact OD1-CZ 3.85Å; D1577-R1579 PolarHBondContact OD1-N 3.33Å; D1577-R1579 IonicContact OD1-NE 3.34Å; D1577-R1579 PolarHBondContact OD1-NE 3.44Å; D1577-R1579 IonicContact OD1-NH2 3.76Å; D1577-R1579 IonicContact OD2-CZ 2.72Å; D1577-R1579 IonicContact OD2-NE 3.73Å; D1577-R1579 PolarHBondContact OD2-NE 2.97Å; D1577-R1579 IonicContact OD2-NH2 2.74Å; D1577-R1579 PolarHBondContact OD2-NH2 3.49Å; R1579-T1581 PolarHBondContact O-N 3.19Å; R1579-Q1711 VanDerWaalsContact CB-OE1 3.31Å; R1579-Q1711 PolarHBondContact O-NE2 3.3Å |
| 1580 | L | 53.3 | Low | 60.2 | Low | 37 Ų | 37 | 47.4 Ų | 47.4 | 19% | 0.194 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -70 | -18.9 | 174.5 | -59.4 | -179.9 | 0 | 0 | 0 | 112.7 | P1568 V1574 D1577 V1578 P1707 | P1568-L1580 HydrophobicContact CG-CD2 4.32Å; V1574-L1580 HydrophobicContact CB-CD1 4.11Å; V1574-L1580 HydrophobicContact CG1-CD1 3.22Å; V1574-L1580 WeakPolarHBondContact O-CD1 3.35Å; D1577-L1580 HydrophobicContact CB-CD1 4.19Å; D1577-L1580 HydrophobicContact CB-CG 4.09Å; D1577-L1580 WeakPolarHBondContact O-CB 3.45Å; D1577-L1580 PolarHBondContact O-N 3.4Å; V1578-L1580 PolarHBondContact O-N 3.48Å; L1580-P1707 HydrophobicContact CD2-CB 3.82Å; L1580-P1707 HydrophobicContact CD2-CG 3.44Å; L1580-P1707 VanDerWaalsContact CD2-CG 3.44Å |
| 1581 | T | 51.5 | Low | 59.8 | Low | 62 Ų | 62 | 52.1 Ų | 52.1 | 38% | 0.38 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | -22.2 | 176.1 | 48.2 | 0 | 0 | 0 | 0 | 113.1 | V1578 R1579 | V1578-T1581 CarbonylContact O-C 3.6Å; V1578-T1581 WeakPolarHBondContact O-CA 3.47Å; V1578-T1581 PolarHBondContact O-N 3.23Å; V1578-T1581 PolarHBondContact O-OG1 2.97Å; R1579-T1581 PolarHBondContact O-N 3.19Å |
| 1582 | A | 50.3 | Low | 59.9 | Low | 34 Ų | 34 | 52.6 Ų | 52.6 | 28% | 0.281 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -66.5 | 132.6 | 177 | 0 | 0 | 0 | 0 | 0 | 110.6 | V1578 I1584 Q1711 | V1578-A1582 WeakPolarHBondContact O-CB 3.49Å; V1578-A1582 PolarHBondContact O-N 3.44Å; A1582-I1584 PolarHBondContact O-N 2.84Å; A1582-Q1711 PolarHBondContact O-NE2 3.01Å |
| 1583 | D | 48.8 | Very low | 60.5 | Low | 57 Ų | 57 | 53.2 Ų | 53.2 | 31% | 0.305 | 30% | 0.302 | S | S | . | . | trans | -37.3 | 114 | -168.7 | -83.4 | -42.7 | 0 | 0 | 0 | 114.9 | D1585 D1586 L2022 | D1583-D1585 HydrophobicContact CB-CB 4.44Å; D1583-D1585 PolarHBondContact O-N 3.5Å; D1583-D1586 PolarHBondContact O-N 2.96Å; D1583-L2022 WeakPolarHBondContact OD1-CD1 3.38Å | ||
| 1584 | I | 50.1 | Low | 61.4 | Low | 89 Ų | 89 | 54.6 Ų | 54.6 | 46% | 0.456 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -13.6 | 164.3 | -62.9 | 172.7 | 0 | 0 | 0 | 110.6 | A1582 | A1582-I1584 PolarHBondContact O-N 2.84Š|
| 1585 | D | 52.9 | Low | 62.3 | Low | 32 Ų | 32 | 56.7 Ų | 56.7 | 17% | 0.171 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 7 | -172.7 | -59.6 | -36.5 | 0 | 0 | 0 | 115.4 | D1583 L1587 V1588 P1964 H2015 | D1583-D1585 HydrophobicContact CB-CB 4.44Å; D1583-D1585 PolarHBondContact O-N 3.5Å; D1585-L1587 PolarHBondContact O-N 3.04Å; D1585-V1588 HydrophobicContact CB-CG2 3.86Å; D1585-V1588 VanDerWaalsContact O-CB 3.28Å; D1585-V1588 WeakPolarHBondContact O-CB 3.28Å; D1585-V1588 WeakPolarHBondContact O-CG2 3.32Å; D1585-V1588 PolarHBondContact O-N 2.94Å; D1585-P1964 WeakPolarHBondContact OD1-CG 3.39Å; D1585-H2015 IonicContact OD1-CD2 3.93Å; D1585-H2015 IonicContact OD1-NE2 2.74Å; D1585-H2015 IonicContact OD2-CD2 3.91Å; D1585-H2015 PolarHBondContact OD2-CD2 3.12Å; D1585-H2015 IonicContact OD2-NE2 3.42Å; D1585-H2015 PolarHBondContact OD2-NE2 2.95Å; D1585-H2015 VanDerWaalsContact OD2-NE2 3.08Å |
| 1586 | D | 56.4 | Low | 63.6 | Low | 44 Ų | 44 | 51.3 Ų | 51.3 | 24% | 0.235 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -20.3 | -174.2 | -153.4 | 21.3 | 0 | 0 | 0 | 113.5 | D1583 K1718 | D1583-D1586 PolarHBondContact O-N 2.96Å; D1586-K1718 IonicContact OD1-NZ 3.59Å; D1586-K1718 PolarHBondContact OD1-NZ 2.83Å; D1586-K1718 IonicContact OD2-NZ 3.17Å; D1586-K1718 PolarHBondContact OD2-NZ 2.71Å |
| 1587 | L | 56.2 | Low | 65.2 | Low | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -17.4 | 172.1 | -69.5 | 179.3 | 0 | 0 | 0 | 114.5 | D1585 G1589 V1590 Y1694 N1714 I1717 K1718 L1740 N1965 | D1585-L1587 PolarHBondContact O-N 3.04Å; L1587-G1589 PolarHBondContact O-N 2.91Å; L1587-V1590 HydrophobicContact CD2-CB 4.5Å; L1587-V1590 HydrophobicContact CD2-CG2 3.89Å; L1587-V1590 WeakPolarHBondContact O-CB 3.47Å; L1587-V1590 PolarHBondContact O-N 3.42Å; L1587-V1590 VanDerWaalsContact O-N 3.11Å; L1587-Y1694 WeakPolarHBondContact CD1-OH 3.36Å; L1587-N1714 HydrophobicContact CD1-CB 3.88Å; L1587-N1714 VanDerWaalsContact CD1-CG 3.44Å; L1587-N1714 WeakPolarHBondContact CD1-OD1 3.26Å; L1587-N1714 HydrophobicContact CD2-CB 4.28Å; L1587-N1714 HydrophobicContact CG-CB 4.04Å; L1587-I1717 HydrophobicContact CD2-CG2 4.32Å; L1587-K1718 HydrophobicContact CD2-CB 4.37Å; L1587-L1740 HydrophobicContact CB-CD1 4.4Å; L1587-L1740 HydrophobicContact CD1-CD1 4.01Å; L1587-L1740 HydrophobicContact CD2-CD1 4.19Å; L1587-L1740 HydrophobicContact CG-CD1 4.44Å; L1587-N1965 WeakPolarHBondContact CD1-ND2 3.23Å |
| 1588 | V | 56.6 | Low | 66.7 | Low | 34 Ų | 34 | 47.3 Ų | 47.3 | 21% | 0.206 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -36.8 | 172.9 | -178.3 | 0 | 0 | 0 | 0 | 110.2 | D1585 V1590 I1962 P1964 | D1585-V1588 HydrophobicContact CB-CG2 3.86Å; D1585-V1588 VanDerWaalsContact O-CB 3.28Å; D1585-V1588 WeakPolarHBondContact O-CB 3.28Å; D1585-V1588 WeakPolarHBondContact O-CG2 3.32Å; D1585-V1588 PolarHBondContact O-N 2.94Å; V1588-V1590 PolarHBondContact O-N 2.97Å; V1588-I1962 HydrophobicContact CG1-CB 4.44Å; V1588-I1962 HydrophobicContact CG1-CD1 4.33Å; V1588-I1962 HydrophobicContact CG1-CG2 4.39Å; V1588-P1964 HydrophobicContact CG2-CB 3.44Å; V1588-P1964 VanDerWaalsContact CG2-CB 3.44Å; V1588-P1964 HydrophobicContact CG2-CG 3.47Å; V1588-P1964 VanDerWaalsContact CG2-CG 3.47Å |
| 1589 | G | 57.6 | Low | 68.1 | Low | 60 Ų | 60 | 43.9 Ų | 43.9 | 62% | 0.619 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -11.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1587 Q1591 | L1587-G1589 PolarHBondContact O-N 2.91Å; G1589-Q1591 PolarHBondContact O-N 3.21Å |
| 1590 | V | 67.3 | Low | 69.5 | Low | 9 Ų | 9 | 44.3 Ų | 44.3 | 6% | 0.055 | 25% | 0.254 | C | S | . | . | trans | -83.9 | 65.4 | -179.2 | -171.5 | 0 | 0 | 0 | 0 | 109.3 | L1587 V1588 K1718 F1721 L1740 | L1587-V1590 HydrophobicContact CD2-CB 4.5Å; L1587-V1590 HydrophobicContact CD2-CG2 3.89Å; L1587-V1590 WeakPolarHBondContact O-CB 3.47Å; L1587-V1590 PolarHBondContact O-N 3.42Å; L1587-V1590 VanDerWaalsContact O-N 3.11Å; V1588-V1590 PolarHBondContact O-N 2.97Å; V1590-K1718 HydrophobicContact CG2-CB 4Å; V1590-K1718 HydrophobicContact CG2-CD 3.55Å; V1590-K1718 HydrophobicContact CG2-CG 3.54Å; V1590-F1721 HydrophobicContact CG1-CB 3.89Å; V1590-F1721 HydrophobicContact CG1-CD1 3.19Å; V1590-F1721 HydrophobicContact CG1-CD2 4.06Å; V1590-F1721 HydrophobicContact CG1-CE1 3.61Å; V1590-F1721 HydrophobicContact CG1-CE2 4.41Å; V1590-F1721 HydrophobicContact CG1-CG 3.44Å; V1590-F1721 VanDerWaalsContact CG1-CG 3.44Å; V1590-F1721 HydrophobicContact CG1-CZ 4.19Å; V1590-L1740 HydrophobicContact CG1-CD2 4.09Å | ||
| 1591 | Q | 75.8 | Confident | 71.1 | Confident | 100 Ų | 100 | 42.6 Ų | 42.6 | 47% | 0.467 | 25% | 0.245 | S | C | . | . | trans | -134.1 | 137.1 | 172.4 | 62.3 | 176.3 | -6.1 | 0 | 0 | 110.4 | G1589 A1738 T1739 | G1589-Q1591 PolarHBondContact O-N 3.21Å; Q1591-A1738 CarbonylContact C-O 3.56Å; Q1591-A1738 WeakPolarHBondContact CA-O 3.37Å; Q1591-T1739 HydrophobicContact CB-CG2 4.47Å | ||
| 1592 | V | 81.9 | Confident | 73 | Confident | 13 Ų | 13 | 39.7 Ų | 39.7 | 8% | 0.079 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 130.5 | 162.7 | -176.6 | 0 | 0 | 0 | 0 | 106.4 | K1594 F1633 F1721 T1725 V1735 H1737 A1738 | V1592-K1594 HydrophobicContact CG1-CG 4.32Å; V1592-F1633 HydrophobicContact CG2-CE1 3.8Å; V1592-F1633 HydrophobicContact CG2-CZ 4.31Å; V1592-F1721 HydrophobicContact CG2-CE1 4.01Å; V1592-F1721 HydrophobicContact CG2-CZ 4.12Å; V1592-T1725 HydrophobicContact CG2-CG2 4.11Å; V1592-V1735 HydrophobicContact CB-CG1 4.06Å; V1592-V1735 HydrophobicContact CG1-CB 4.45Å; V1592-V1735 HydrophobicContact CG1-CG1 3.96Å; V1592-H1737 CarbonylContact O-C 3.54Å; V1592-H1737 WeakPolarHBondContact O-CA 3.37Å; V1592-H1737 PolarHBondContact O-ND1 2.76Å; V1592-A1738 HydrophobicContact CB-CB 4.06Å; V1592-A1738 HydrophobicContact CG2-CB 4.29Å; V1592-A1738 PolarHBondContact N-O 3.39Å; V1592-A1738 PolarHBondContact O-N 2.86Å |
| 1593 | N | 86.6 | Confident | 74.9 | Confident | 57 Ų | 57 | 38 Ų | 38 | 31% | 0.305 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 110.2 | 173.9 | -169.7 | 55.8 | 0 | 0 | 0 | 107.6 | P1595 W1788 V1789 | N1593-P1595 WeakPolarHBondContact O-CD 3.42Å; N1593-W1788 PolarHBondContact OD1-NE1 2.66Å; N1593-V1789 PolarHBondContact ND2-O 2.79Å |
| 1594 | K | 88.1 | Confident | 76.9 | Confident | 94 Ų | 94 | 35.6 Ų | 35.6 | 41% | 0.409 | 20% | 0.2 | S | C | . | . | trans | -111.6 | 90.5 | 176.5 | -67.9 | -170.1 | -172.8 | 173.9 | 0 | 109 | V1592 A1596 W1598 V1735 V1736 | V1592-K1594 HydrophobicContact CG1-CG 4.32Å; K1594-A1596 PolarHBondContact O-N 3.43Å; K1594-W1598 HydrophobicContact CB-CZ2 3.97Å; K1594-W1598 PolarHBondContact O-NE1 2.89Å; K1594-V1735 WeakPolarHBondContact CD-O 3.36Å; K1594-V1736 PolarHBondContact N-O 2.67Å | ||
| 1595 | P | 86.5 | Confident | 78.7 | Confident | 61 Ų | 61 | 31.6 Ų | 31.6 | 40% | 0.396 | 18% | 0.18 | S | C | . | . | trans | -62.4 | 120.5 | 176.2 | -19.1 | 31.1 | 0 | 0 | 0 | 110.2 | N1593 W1788 V1789 M1924 | N1593-P1595 WeakPolarHBondContact O-CD 3.42Å; P1595-W1788 CarbonylContact C-O 3.5Å; P1595-W1788 WeakPolarHBondContact CA-O 3.4Å; P1595-V1789 WeakPolarHBondContact CG-O 3.38Å; P1595-M1924 HydrophobicContact CB-SD 3.62Å | ||
| 1596 | A | 89 | Confident | 80.2 | Confident | 26 Ų | 26 | 32.4 Ų | 32.4 | 22% | 0.215 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.9 | 167.4 | 177 | 0 | 0 | 0 | 0 | 0 | 109.7 | K1594 W1598 W1788 | K1594-A1596 PolarHBondContact O-N 3.43Å; A1596-W1598 HydrophobicContact CB-CZ2 4.25Å; A1596-W1788 PolarHBondContact N-O 2.87Å; A1596-W1788 PolarHBondContact O-N 3.26Å |
| 1597 | F | 90.4 | Very high | 81.5 | Confident | 15 Ų | 15 | 30.6 Ų | 30.6 | 7% | 0.066 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 106 | 164.4 | -173.2 | -145.3 | 0 | 0 | 0 | 110.2 | K1599 V1785 L1787 Y1820 I1821 V1824 M1924 D1925 | F1597-K1599 HydrophobicContact CD1-CD 4.39Å; F1597-K1599 HydrophobicContact CD1-CG 4.09Å; F1597-K1599 HydrophobicContact CE1-CD 4.38Å; F1597-K1599 HydrophobicContact CE1-CG 4.14Å; F1597-V1785 HydrophobicContact CE2-CB 4.35Å; F1597-V1785 HydrophobicContact CE2-CG1 3.95Å; F1597-V1785 HydrophobicContact CZ-CG1 3.97Å; F1597-L1787 HydrophobicContact CB-CD1 3.64Å; F1597-L1787 HydrophobicContact CD2-CB 3.77Å; F1597-L1787 HydrophobicContact CD2-CD1 3.81Å; F1597-L1787 HydrophobicContact CD2-CG 4.4Å; F1597-L1787 HydrophobicContact CE2-CB 4.2Å; F1597-L1787 HydrophobicContact CG-CD1 3.91Å; F1597-Y1820 AromaticContact CD1-CE1 3.97Å; F1597-Y1820 HydrophobicContact CD1-CE1 3.97Å; F1597-Y1820 HydrophobicContact CE1-CD1 4.37Å; F1597-Y1820 AromaticContact CE1-CE1 3.71Å; F1597-Y1820 HydrophobicContact CE1-CE1 3.71Å; F1597-Y1820 HydrophobicContact CZ-CE1 4.46Å; F1597-I1821 HydrophobicContact CE2-CG1 4.27Å; F1597-V1824 HydrophobicContact CE1-CB 4.02Å; F1597-V1824 HydrophobicContact CE1-CG1 3.72Å; F1597-V1824 HydrophobicContact CE1-CG2 3.97Å; F1597-V1824 HydrophobicContact CZ-CB 4Å; F1597-V1824 HydrophobicContact CZ-CG1 3.81Å; F1597-V1824 HydrophobicContact CZ-CG2 4.37Å; F1597-M1924 PolarHBondContact N-O 2.9Å; F1597-M1924 VanDerWaalsContact N-O 3.14Å; F1597-D1925 HydrophobicContact CB-CB 3.88Å; F1597-D1925 HydrophobicContact CD1-CB 3.88Å; F1597-D1925 WeakPolarHBondContact CD1-OD2 3.44Å; F1597-D1925 HydrophobicContact CG-CB 4.37Å |
| 1598 | W | 89.7 | Confident | 82.7 | Confident | 23 Ų | 23 | 32.1 Ų | 32.1 | 9% | 0.087 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 108.3 | -177.8 | -59.5 | 89.5 | 0 | 0 | 0 | 109.6 | K1594 A1596 C1602 Q1734 V1736 C1746 V1785 L1786 | K1594-W1598 HydrophobicContact CB-CZ2 3.97Å; K1594-W1598 PolarHBondContact O-NE1 2.89Å; A1596-W1598 HydrophobicContact CB-CZ2 4.25Å; W1598-C1602 VanDerWaalsContact CB-SG 3.58Å; W1598-Q1734 HydrophobicContact CH2-CB 4.08Å; W1598-Q1734 HydrophobicContact CZ3-CB 3.88Å; W1598-Q1734 VanDerWaalsContact CZ3-OE1 3.29Å; W1598-V1736 HydrophobicContact CD2-CG1 4.48Å; W1598-V1736 HydrophobicContact CD2-CG2 3.66Å; W1598-V1736 HydrophobicContact CE3-CG2 4.06Å; W1598-V1736 HydrophobicContact CG-CG1 4.46Å; W1598-V1736 HydrophobicContact CG-CG2 4.1Å; W1598-V1736 HydrophobicContact CH2-CG2 4.2Å; W1598-V1736 HydrophobicContact CZ2-CB 4.24Å; W1598-V1736 HydrophobicContact CZ2-CG1 4.3Å; W1598-V1736 HydrophobicContact CZ2-CG2 3.83Å; W1598-V1736 HydrophobicContact CZ3-CG2 4.31Å; W1598-V1736 VanDerWaalsContact NE1-CG1 3.3Å; W1598-C1746 HydrophobicContact CD2-CB 4.28Å; W1598-C1746 HydrophobicContact CE3-CB 3.47Å; W1598-C1746 VanDerWaalsContact CE3-CB 3.47Å; W1598-C1746 HydrophobicContact CZ3-CB 3.68Å; W1598-V1785 WeakPolarHBondContact O-CA 3.44Å; W1598-L1786 HydrophobicContact CB-CB 4.36Å; W1598-L1786 WeakPolarHBondContact CB-O 3.29Å; W1598-L1786 PolarHBondContact N-O 3.39Å; W1598-L1786 PolarHBondContact O-N 2.87Å |
| 1599 | K | 85.2 | Confident | 83.8 | Confident | 33 Ų | 33 | 33.2 Ų | 33.2 | 14% | 0.143 | 19% | 0.193 | C | C | . | . | trans | -86.9 | -17.2 | -176.4 | -54.1 | -173.3 | -169.6 | -176.5 | 0 | 113.3 | F1597 V1785 V1824 L1828 L1857 D1925 S1927 | F1597-K1599 HydrophobicContact CD1-CD 4.39Å; F1597-K1599 HydrophobicContact CD1-CG 4.09Å; F1597-K1599 HydrophobicContact CE1-CD 4.38Å; F1597-K1599 HydrophobicContact CE1-CG 4.14Å; K1599-V1785 HydrophobicContact CB-CG1 4.41Å; K1599-V1824 HydrophobicContact CD-CG1 4.41Å; K1599-L1828 HydrophobicContact CB-CD1 4.4Å; K1599-L1857 HydrophobicContact CD-CD2 3.5Å; K1599-L1857 HydrophobicContact CD-CG 4.27Å; K1599-D1925 WeakPolarHBondContact CE-OD2 3.31Å; K1599-D1925 IonicContact NZ-OD1 4Å; K1599-D1925 PolarHBondContact NZ-OD1 3.04Å; K1599-D1925 IonicContact NZ-OD2 2.73Å; K1599-D1925 PolarHBondContact NZ-OD2 3.35Å; K1599-S1927 PolarHBondContact NZ-OG 3.31Å; K1599-S1927 VanDerWaalsContact NZ-OG 3.09Å | ||
| 1600 | D | 85.7 | Confident | 85.1 | Confident | 45 Ų | 45 | 30.6 Ų | 30.6 | 24% | 0.241 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -84.9 | 162.6 | 173 | -60 | -47.8 | 0 | 0 | 0 | 112.4 | C1602 C1746 L1750 | D1600-C1602 PolarHBondContact O-N 3.35Å; D1600-C1602 PolarHBondContact O-SG 2.91Å; D1600-C1746 VanDerWaalsContact CB-SG 3.57Å; D1600-L1750 VanDerWaalsContact OD1-CD2 3.26Å; D1600-L1750 WeakPolarHBondContact OD1-CD2 3.43Å; D1600-L1750 WeakPolarHBondContact OD1-CG 3.19Å |
| 1601 | V | 87.4 | Confident | 86 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -63.3 | 121.9 | 176.8 | -178.9 | 0 | 0 | 0 | 0 | 110.3 | S1747 R1749 L1752 A1755 L1782 W1783 K1784 I1799 | V1601-S1747 WeakPolarHBondContact O-CB 3.24Å; V1601-S1747 PolarHBondContact O-N 2.88Å; V1601-S1747 PolarHBondContact O-OG 2.79Å; V1601-R1749 PolarHBondContact N-O 3.16Å; V1601-R1749 VanDerWaalsContact N-O 3.11Å; V1601-L1752 HydrophobicContact CG1-CD1 4.31Å; V1601-A1755 HydrophobicContact CB-CB 3.63Å; V1601-A1755 HydrophobicContact CG1-CB 3.67Å; V1601-A1755 HydrophobicContact CG2-CB 4.06Å; V1601-L1782 HydrophobicContact CG1-CD2 4.24Å; V1601-W1783 CarbonylContact C-O 3.51Å; V1601-W1783 VanDerWaalsContact CA-O 3.3Å; V1601-W1783 WeakPolarHBondContact CA-O 3.47Å; V1601-K1784 HydrophobicContact CG2-CD 3.91Å; V1601-I1799 HydrophobicContact CG1-CD1 4.44Å |
| 1602 | C | 91.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 144.2 | 174.2 | -61.7 | 0 | 0 | 0 | 0 | 111 | W1598 D1600 I1744 V1745 L1782 W1783 L1786 | W1598-C1602 VanDerWaalsContact CB-SG 3.58Å; D1600-C1602 PolarHBondContact O-N 3.35Å; D1600-C1602 PolarHBondContact O-SG 2.91Å; C1602-I1744 HydrophobicContact CB-CG2 4.17Å; C1602-V1745 CarbonylContact C-O 3.58Å; C1602-V1745 VanDerWaalsContact CA-O 3.24Å; C1602-V1745 WeakPolarHBondContact CA-O 3.37Å; C1602-L1782 CarbonylContact O-C 3.58Å; C1602-W1783 HydrophobicContact CB-CB 4.16Å; C1602-W1783 PolarHBondContact N-O 3.49Å; C1602-W1783 PolarHBondContact O-N 3.3Å; C1602-L1786 HydrophobicContact CB-CB 4.49Å; C1602-L1786 HydrophobicContact CB-CD2 4.13Å |
| 1603 | I | 89.1 | Confident | 86.8 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 129 | -177.3 | -55.5 | 123.1 | 0 | 0 | 0 | 108.7 | L1605 I1744 V1745 S1759 I1779 L1782 | I1603-L1605 HydrophobicContact CG2-CD2 3.86Å; I1603-L1605 HydrophobicContact CG2-CG 4.27Å; I1603-I1744 CarbonylContact O-C 3.58Å; I1603-I1744 VanDerWaalsContact O-CA 3.27Å; I1603-I1744 WeakPolarHBondContact O-CA 3.09Å; I1603-V1745 HydrophobicContact CB-CG2 4.14Å; I1603-V1745 HydrophobicContact CD1-CG2 4.16Å; I1603-V1745 PolarHBondContact N-O 3.33Å; I1603-V1745 PolarHBondContact O-N 3.46Å; I1603-S1759 VanDerWaalsContact CD1-CB 3.48Å; I1603-I1779 HydrophobicContact CG2-CG1 4.03Å; I1603-I1779 HydrophobicContact CG2-CG2 3.87Å; I1603-L1782 HydrophobicContact CB-CD2 4.21Å; I1603-L1782 HydrophobicContact CG1-CD2 3.48Å; I1603-L1782 VanDerWaalsContact CG1-CD2 3.48Å; I1603-L1782 HydrophobicContact CG2-CD2 4.21Å |
| 1604 | E | 90.9 | Very high | 87 | Confident | 5 Ų | 5 | 24.6 Ų | 24.6 | 2% | 0.023 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 116.7 | 173.8 | -174.2 | 174.6 | 167.6 | 0 | 0 | 110.2 | K1742 I1744 I1780 R1781 W1783 | E1604-K1742 HydrophobicContact CG-CD 4.17Å; E1604-K1742 HydrophobicContact CG-CG 4.17Å; E1604-K1742 VanDerWaalsContact OE1-CD 3.31Å; E1604-K1742 WeakPolarHBondContact OE1-CD 3.48Å; E1604-K1742 WeakPolarHBondContact OE1-CE 3.32Å; E1604-K1742 IonicContact OE1-NZ 3.34Å; E1604-K1742 PolarHBondContact OE1-NZ 3Å; E1604-I1744 HydrophobicContact CB-CG1 4.26Å; E1604-I1744 HydrophobicContact CG-CG1 4.07Å; E1604-I1780 PolarHBondContact O-N 3.37Å; E1604-R1781 HydrophobicContact CB-CB 4.02Å; E1604-R1781 PolarHBondContact N-O 2.9Å; E1604-R1781 PolarHBondContact O-N 3.33Å; E1604-W1783 PolarHBondContact OE2-NE1 2.93Å |
| 1605 | L | 87.2 | Confident | 87.2 | Confident | 5 Ų | 5 | 20.1 Ų | 20.1 | 3% | 0.026 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 130.1 | -179.4 | -58 | 174.3 | 0 | 0 | 0 | 110.4 | I1603 K1742 I1743 V1745 V1763 N1778 I1779 | I1603-L1605 HydrophobicContact CG2-CD2 3.86Å; I1603-L1605 HydrophobicContact CG2-CG 4.27Å; L1605-K1742 WeakPolarHBondContact O-CA 3.49Å; L1605-I1743 HydrophobicContact CB-CB 4.44Å; L1605-I1743 PolarHBondContact N-O 3.08Å; L1605-I1743 PolarHBondContact O-N 2.86Å; L1605-V1745 HydrophobicContact CD1-CG2 4.49Å; L1605-V1763 HydrophobicContact CD2-CG2 4.33Å; L1605-N1778 CarbonylContact C-O 3.54Å; L1605-N1778 VanDerWaalsContact CA-O 3.31Å; L1605-N1778 WeakPolarHBondContact CA-O 3.5Å; L1605-I1779 HydrophobicContact CD2-CB 4.26Å; L1605-I1779 HydrophobicContact CD2-CG1 3.44Å; L1605-I1779 VanDerWaalsContact CD2-CG1 3.44Å |
| 1606 | E | 84.6 | Confident | 87.4 | Confident | 50 Ų | 50 | 18.1 Ų | 18.1 | 23% | 0.234 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 134.8 | 160.3 | -152.1 | 171.9 | -152.5 | 0 | 0 | 109.3 | L1777 N1778 I1780 R1998 | E1606-L1777 WeakPolarHBondContact O-CA 3.3Å; E1606-N1778 HydrophobicContact CB-CB 4.13Å; E1606-N1778 PolarHBondContact N-O 2.84Å; E1606-N1778 PolarHBondContact O-N 3.46Å; E1606-I1780 HydrophobicContact CB-CD1 3.43Å; E1606-I1780 VanDerWaalsContact CB-CD1 3.43Å; E1606-I1780 HydrophobicContact CB-CG1 3.71Å; E1606-I1780 HydrophobicContact CG-CD1 3.84Å; E1606-R1998 IonicContact OE1-CZ 3.3Å; E1606-R1998 IonicContact OE1-NH2 3.62Å; E1606-R1998 PolarHBondContact OE1-NH2 3.21Å; E1606-R1998 IonicContact OE2-NH2 3.83Å |
| 1607 | V | 84.1 | Confident | 87.4 | Confident | 6 Ų | 6 | 18.2 Ų | 18.2 | 4% | 0.036 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 123.3 | 173.7 | -164.6 | 0 | 0 | 0 | 0 | 110 | F1610 M1724 N1741 I1743 I1775 G1776 L1777 | V1607-F1610 HydrophobicContact CB-CD2 4.18Å; V1607-F1610 HydrophobicContact CB-CE2 4.13Å; V1607-F1610 HydrophobicContact CG1-CD2 3.37Å; V1607-F1610 HydrophobicContact CG1-CE2 3.39Å; V1607-F1610 HydrophobicContact CG1-CG 4.49Å; V1607-F1610 HydrophobicContact CG1-CZ 4.48Å; V1607-M1724 HydrophobicContact CG1-CE 4.48Å; V1607-N1741 PolarHBondContact N-O 2.92Å; V1607-I1743 HydrophobicContact CG2-CB 4.36Å; V1607-I1743 HydrophobicContact CG2-CD1 3.65Å; V1607-I1743 HydrophobicContact CG2-CG1 3.66Å; V1607-I1775 HydrophobicContact CG1-CG2 3.39Å; V1607-G1776 WeakPolarHBondContact CA-O 3.22Å; V1607-L1777 HydrophobicContact CB-CD2 4.41Å; V1607-L1777 HydrophobicContact CG1-CD2 3.99Å; V1607-L1777 HydrophobicContact CG2-CD2 3.91Å |
| 1608 | C | 81.2 | Confident | 87.3 | Confident | 37 Ų | 37 | 18 Ų | 18 | 25% | 0.25 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 149.4 | 179.7 | -68.2 | 0 | 0 | 0 | 0 | 111 | F1610 G1776 | C1608-F1610 PolarHBondContact O-N 3.05Å; C1608-G1776 PolarHBondContact N-O 3.45Å; C1608-G1776 PolarHBondContact O-N 3.28Å; C1608-G1776 VanDerWaalsContact O-N 3.13Å |
| 1609 | S | 80.1 | Confident | 87 | Confident | 58 Ų | 58 | 19.3 Ų | 19.3 | 41% | 0.406 | 11% | 0.112 | S | C | . | . | trans | 68 | 21.1 | 168.2 | -53.8 | 0 | 0 | 0 | 0 | 117.4 | L1612 A1613 | S1609-L1612 PolarHBondContact O-N 3.47Å; S1609-L1612 VanDerWaalsContact O-N 3.16Å; S1609-A1613 PolarHBondContact O-N 2.91Å | ||
| 1610 | F | 84.2 | Confident | 86.8 | Confident | 5 Ų | 5 | 21.5 Ų | 21.5 | 2% | 0.022 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -48 | -49.3 | 174 | -111.5 | -69.9 | 0 | 0 | 0 | 114.4 | V1607 C1608 L1612 A1613 A1614 I1717 L1720 F1721 M1724 L1740 I1775 | V1607-F1610 HydrophobicContact CB-CD2 4.18Å; V1607-F1610 HydrophobicContact CB-CE2 4.13Å; V1607-F1610 HydrophobicContact CG1-CD2 3.37Å; V1607-F1610 HydrophobicContact CG1-CE2 3.39Å; V1607-F1610 HydrophobicContact CG1-CG 4.49Å; V1607-F1610 HydrophobicContact CG1-CZ 4.48Å; C1608-F1610 PolarHBondContact O-N 3.05Å; F1610-L1612 PolarHBondContact O-N 3.48Å; F1610-A1613 PolarHBondContact O-N 3.09Å; F1610-A1614 WeakPolarHBondContact O-CB 3.35Å; F1610-A1614 PolarHBondContact O-N 3.41Å; F1610-I1717 HydrophobicContact CD1-CG2 4.3Å; F1610-L1720 HydrophobicContact CD1-CD2 4.01Å; F1610-L1720 HydrophobicContact CD1-CG 4.36Å; F1610-L1720 HydrophobicContact CE1-CB 4.34Å; F1610-L1720 HydrophobicContact CE1-CD2 4.25Å; F1610-L1720 HydrophobicContact CE1-CG 4.1Å; F1610-F1721 HydrophobicContact CE1-CB 3.99Å; F1610-F1721 HydrophobicContact CE2-CD2 4.39Å; F1610-F1721 HydrophobicContact CZ-CB 3.97Å; F1610-F1721 AromaticContact CZ-CD2 3.85Å; F1610-F1721 HydrophobicContact CZ-CD2 3.85Å; F1610-F1721 HydrophobicContact CZ-CG 4.41Å; F1610-M1724 HydrophobicContact CE1-CE 4.14Å; F1610-M1724 HydrophobicContact CE2-CE 3.6Å; F1610-M1724 HydrophobicContact CZ-CE 3.19Å; F1610-L1740 WeakPolarHBondContact CD2-O 3.24Å; F1610-I1775 HydrophobicContact CD1-CD1 4.37Å; F1610-I1775 HydrophobicContact CE1-CD1 4.31Å |
| 1611 | P | 85.8 | Confident | 86.7 | Confident | 24 Ų | 24 | 19.4 Ų | 19.4 | 16% | 0.156 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.6 | -36.5 | -179.4 | -24.1 | 35.1 | 0 | 0 | 0 | 114.1 | L1615 Y1694 L1713 I1717 | P1611-L1615 PolarHBondContact O-N 3.49Å; P1611-L1615 VanDerWaalsContact O-N 3.13Å; P1611-Y1694 HydrophobicContact CB-CD2 3.4Å; P1611-Y1694 VanDerWaalsContact CB-CD2 3.4Å; P1611-Y1694 HydrophobicContact CB-CE2 4.01Å; P1611-Y1694 HydrophobicContact CB-CG 3.82Å; P1611-Y1694 HydrophobicContact CG-CD1 4.07Å; P1611-Y1694 HydrophobicContact CG-CD2 3.51Å; P1611-Y1694 HydrophobicContact CG-CE1 4.43Å; P1611-Y1694 HydrophobicContact CG-CE2 3.88Å; P1611-Y1694 HydrophobicContact CG-CG 3.59Å; P1611-L1713 HydrophobicContact CB-CD2 4.31Å; P1611-I1717 HydrophobicContact CB-CD1 3.93Å; P1611-I1717 HydrophobicContact CG-CD1 3.96Å |
| 1612 | L | 87.9 | Confident | 86.3 | Confident | 29 Ų | 29 | 21.3 Ų | 21.3 | 15% | 0.152 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -69.8 | -44.9 | 177.9 | -68.4 | 171.8 | 0 | 0 | 0 | 110.6 | S1609 F1610 A1614 L1615 L1616 V1671 L1690 F1693 | S1609-L1612 PolarHBondContact O-N 3.47Å; S1609-L1612 VanDerWaalsContact O-N 3.16Å; F1610-L1612 PolarHBondContact O-N 3.48Å; L1612-A1614 PolarHBondContact O-N 2.6Å; L1612-L1615 PolarHBondContact O-N 3.3Å; L1612-L1616 WeakPolarHBondContact O-CB 3.24Å; L1612-L1616 WeakPolarHBondContact O-CG 3.32Å; L1612-L1616 PolarHBondContact O-N 3.22Å; L1612-V1671 HydrophobicContact CD2-CG1 3.6Å; L1612-L1690 HydrophobicContact CD1-CB 4.3Å; L1612-L1690 HydrophobicContact CD2-CD2 4.07Å; L1612-F1693 HydrophobicContact CD2-CB 4.08Å; L1612-F1693 HydrophobicContact CD2-CD1 3.58Å; L1612-F1693 HydrophobicContact CD2-CE1 4.35Å; L1612-F1693 HydrophobicContact CD2-CG 3.99Å; L1612-F1693 HydrophobicContact CG-CD1 4.38Å |
| 1613 | A | 88.7 | Confident | 85.3 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60 | -46.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S1609 F1610 L1615 L1616 Q1617 L1720 L1774 I1775 | S1609-A1613 PolarHBondContact O-N 2.91Å; F1610-A1613 PolarHBondContact O-N 3.09Å; A1613-L1615 PolarHBondContact O-N 2.93Å; A1613-L1616 PolarHBondContact O-N 3.28Å; A1613-Q1617 WeakPolarHBondContact O-CB 3.45Å; A1613-Q1617 WeakPolarHBondContact O-CG 3.36Å; A1613-Q1617 PolarHBondContact O-N 3.34Å; A1613-L1720 HydrophobicContact CB-CD2 4.04Å; A1613-L1774 HydrophobicContact CB-CB 3.95Å; A1613-I1775 HydrophobicContact CB-CD1 4.33Å; A1613-I1775 HydrophobicContact CB-CG1 3.57Å |
| 1614 | A | 90.1 | Very high | 84.2 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.3 | -39 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F1610 L1612 S1618 I1621 L1713 L1716 I1717 L1720 | F1610-A1614 WeakPolarHBondContact O-CB 3.35Å; F1610-A1614 PolarHBondContact O-N 3.41Å; L1612-A1614 PolarHBondContact O-N 2.6Å; A1614-S1618 WeakPolarHBondContact O-CA 3.46Å; A1614-S1618 PolarHBondContact O-N 2.96Å; A1614-I1621 HydrophobicContact CB-CD1 4.25Å; A1614-L1713 HydrophobicContact CB-CD1 4.08Å; A1614-L1716 HydrophobicContact CB-CB 4.13Å; A1614-I1717 HydrophobicContact CB-CB 4.44Å; A1614-I1717 HydrophobicContact CB-CG1 3.64Å; A1614-L1720 HydrophobicContact CB-CD2 4.01Å |
| 1615 | L | 92.2 | Very high | 82.5 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.4 | -50.3 | 176 | -179.4 | 70.8 | 0 | 0 | 0 | 111.7 | P1611 L1612 A1613 S1618 F1664 L1667 K1668 V1671 F1693 L1713 | P1611-L1615 PolarHBondContact O-N 3.49Å; P1611-L1615 VanDerWaalsContact O-N 3.13Å; L1612-L1615 PolarHBondContact O-N 3.3Å; A1613-L1615 PolarHBondContact O-N 2.93Å; L1615-S1618 VanDerWaalsContact O-CB 3.27Å; L1615-S1618 WeakPolarHBondContact O-CB 3.26Å; L1615-S1618 PolarHBondContact O-N 3.48Å; L1615-S1618 PolarHBondContact O-OG 3.14Å; L1615-F1664 HydrophobicContact CD1-CD1 4.49Å; L1615-F1664 HydrophobicContact CD1-CE1 3.73Å; L1615-F1664 HydrophobicContact CD1-CE2 4.26Å; L1615-F1664 HydrophobicContact CD1-CZ 3.58Å; L1615-L1667 HydrophobicContact CD1-CD2 4.2Å; L1615-L1667 HydrophobicContact CD1-CG 4.32Å; L1615-L1667 HydrophobicContact CD2-CG 4.3Å; L1615-K1668 HydrophobicContact CD1-CB 4.23Å; L1615-K1668 HydrophobicContact CG-CB 4.24Å; L1615-V1671 HydrophobicContact CD2-CB 3.77Å; L1615-V1671 HydrophobicContact CD2-CG1 4.1Å; L1615-V1671 HydrophobicContact CD2-CG2 3.57Å; L1615-F1693 HydrophobicContact CD2-CE1 4.11Å; L1615-F1693 HydrophobicContact CD2-CE2 4.12Å; L1615-F1693 HydrophobicContact CD2-CZ 3.6Å; L1615-L1713 HydrophobicContact CB-CD1 3.85Å; L1615-L1713 HydrophobicContact CD1-CD1 4.48Å |
| 1616 | L | 91 | Very high | 81 | Confident | 18 Ų | 18 | 37.3 Ų | 37.3 | 9% | 0.094 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.1 | -33.6 | -174 | -68 | 173.7 | 0 | 0 | 0 | 111.8 | L1612 A1613 K1668 V1671 H1672 L1675 L1774 | L1612-L1616 WeakPolarHBondContact O-CB 3.24Å; L1612-L1616 WeakPolarHBondContact O-CG 3.32Å; L1612-L1616 PolarHBondContact O-N 3.22Å; A1613-L1616 PolarHBondContact O-N 3.28Å; L1616-K1668 HydrophobicContact CD2-CG 4.37Å; L1616-K1668 WeakPolarHBondContact O-CE 2.8Å; L1616-K1668 PolarHBondContact O-NZ 2.85Å; L1616-V1671 HydrophobicContact CD1-CG1 4.33Å; L1616-V1671 HydrophobicContact CD2-CG1 4.18Å; L1616-V1671 HydrophobicContact CG-CG1 4.31Å; L1616-H1672 HydrophobicContact CD2-CB 3.91Å; L1616-L1675 HydrophobicContact CD1-CD2 3.77Å; L1616-L1774 HydrophobicContact CB-CD1 3.75Å; L1616-L1774 HydrophobicContact CD1-CD1 3.65Å; L1616-L1774 HydrophobicContact CG-CD1 4.35Å |
| 1617 | Q | 88.6 | Confident | 79.5 | Confident | 28 Ų | 28 | 39 Ų | 39 | 13% | 0.131 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 16.9 | 176.7 | -53.5 | -59.5 | -23.6 | 0 | 0 | 112.9 | A1613 S1619 H1620 I1621 L1774 | A1613-Q1617 WeakPolarHBondContact O-CB 3.45Å; A1613-Q1617 WeakPolarHBondContact O-CG 3.36Å; A1613-Q1617 PolarHBondContact O-N 3.34Å; Q1617-S1619 PolarHBondContact O-N 2.87Å; Q1617-S1619 VanDerWaalsContact O-N 3.13Å; Q1617-H1620 PolarHBondContact O-N 2.75Å; Q1617-H1620 PolarHBondContact OE1-CD2 2.92Å; Q1617-I1621 HydrophobicContact CB-CD1 4.38Å; Q1617-I1621 WeakPolarHBondContact O-CG1 3.37Å; Q1617-I1621 PolarHBondContact O-N 3.46Å; Q1617-I1621 VanDerWaalsContact O-N 3.08Å; Q1617-L1774 HydrophobicContact CG-CD1 4.39Å |
| 1618 | S | 88.1 | Confident | 78 | Confident | 11 Ų | 11 | 43.5 Ų | 43.5 | 8% | 0.077 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -52 | -39 | -176.4 | 60.9 | 0 | 0 | 0 | 0 | 114 | A1614 L1615 I1621 V1622 K1668 | A1614-S1618 WeakPolarHBondContact O-CA 3.46Å; A1614-S1618 PolarHBondContact O-N 2.96Å; L1615-S1618 VanDerWaalsContact O-CB 3.27Å; L1615-S1618 WeakPolarHBondContact O-CB 3.26Å; L1615-S1618 PolarHBondContact O-N 3.48Å; L1615-S1618 PolarHBondContact O-OG 3.14Å; S1618-I1621 PolarHBondContact O-N 2.97Å; S1618-V1622 VanDerWaalsContact O-CG2 3.26Å; S1618-V1622 WeakPolarHBondContact O-CG2 3.42Å; S1618-V1622 PolarHBondContact O-N 3.43Å; S1618-K1668 PolarHBondContact OG-NZ 2.88Å; S1618-K1668 VanDerWaalsContact OG-NZ 3.1Å |
| 1619 | S | 83.7 | Confident | 76.6 | Confident | 51 Ų | 51 | 44.2 Ų | 44.2 | 36% | 0.357 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.7 | -49.1 | 177 | 42 | 0 | 0 | 0 | 0 | 111.6 | Q1617 I1621 V1622 D1623 | Q1617-S1619 PolarHBondContact O-N 2.87Å; Q1617-S1619 VanDerWaalsContact O-N 3.13Å; S1619-I1621 VanDerWaalsContact C-N 3.29Å; S1619-I1621 PolarHBondContact O-N 3.11Å; S1619-V1622 PolarHBondContact O-N 3.21Å; S1619-D1623 WeakPolarHBondContact O-CB 3.25Å; S1619-D1623 PolarHBondContact O-N 2.67Å |
| 1620 | H | 81.4 | Confident | 75.4 | Confident | 78 Ų | 78 | 43.5 Ų | 43.5 | 36% | 0.361 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.8 | -34.3 | 178.2 | -65.3 | -73.5 | 0 | 0 | 0 | 112.8 | Q1617 Q1624 | Q1617-H1620 PolarHBondContact O-N 2.75Å; Q1617-H1620 PolarHBondContact OE1-CD2 2.92Å; H1620-Q1624 WeakPolarHBondContact O-CG 3.19Å; H1620-Q1624 PolarHBondContact O-N 3.46Å |
| 1621 | I | 83.1 | Confident | 73.7 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -72.2 | -38 | 179 | -62.7 | 162.6 | 0 | 0 | 0 | 111.1 | A1614 Q1617 S1618 S1619 L1716 K1719 L1720 M1723 | A1614-I1621 HydrophobicContact CB-CD1 4.25Å; Q1617-I1621 HydrophobicContact CB-CD1 4.38Å; Q1617-I1621 WeakPolarHBondContact O-CG1 3.37Å; Q1617-I1621 PolarHBondContact O-N 3.46Å; Q1617-I1621 VanDerWaalsContact O-N 3.08Å; S1618-I1621 PolarHBondContact O-N 2.97Å; S1619-I1621 VanDerWaalsContact C-N 3.29Å; S1619-I1621 PolarHBondContact O-N 3.11Å; I1621-L1716 HydrophobicContact CB-CD2 4.22Å; I1621-L1716 HydrophobicContact CG2-CD2 3.83Å; I1621-K1719 HydrophobicContact CG2-CB 3.56Å; I1621-K1719 HydrophobicContact CG2-CD 4.04Å; I1621-K1719 HydrophobicContact CG2-CG 4.44Å; I1621-L1720 HydrophobicContact CD1-CB 4.04Å; I1621-L1720 HydrophobicContact CD1-CD1 4.04Å; I1621-L1720 HydrophobicContact CD1-CD2 4.18Å; I1621-L1720 HydrophobicContact CD1-CG 4.33Å; I1621-L1720 HydrophobicContact CG1-CD1 4.1Å; I1621-M1723 HydrophobicContact CG2-SD 4.27Å |
| 1622 | V | 78.4 | Confident | 71.8 | Confident | 40 Ų | 40 | 51 Ų | 51 | 24% | 0.242 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -73.4 | -40.3 | 178.3 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | S1618 S1619 Q1624 N1625 V1659 L1716 | S1618-V1622 VanDerWaalsContact O-CG2 3.26Å; S1618-V1622 WeakPolarHBondContact O-CG2 3.42Å; S1618-V1622 PolarHBondContact O-N 3.43Å; S1619-V1622 PolarHBondContact O-N 3.21Å; V1622-Q1624 PolarHBondContact O-N 3.21Å; V1622-N1625 VanDerWaalsContact O-CG 3.29Å; V1622-V1659 HydrophobicContact CG2-CG1 4.1Å; V1622-L1716 HydrophobicContact CG2-CD2 3.9Å |
| 1623 | D | 70.8 | Confident | 69.8 | Low | 129 Ų | 129 | 53.6 Ų | 53.6 | 69% | 0.69 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -67.1 | -23.5 | -179 | -68.1 | -21.3 | 0 | 0 | 0 | 113 | S1619 N1625 | S1619-D1623 WeakPolarHBondContact O-CB 3.25Å; S1619-D1623 PolarHBondContact O-N 2.67Å; D1623-N1625 PolarHBondContact O-N 3.18Å; D1623-N1625 VanDerWaalsContact O-N 3.13Å |
| 1624 | Q | 65.9 | Low | 67.4 | Low | 52 Ų | 52 | 60.8 Ų | 60.8 | 24% | 0.243 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 37.6 | 178.3 | -70.3 | -172.7 | 6.9 | 0 | 0 | 113.7 | H1620 V1622 D1626 E1771 | H1620-Q1624 WeakPolarHBondContact O-CG 3.19Å; H1620-Q1624 PolarHBondContact O-N 3.46Å; V1622-Q1624 PolarHBondContact O-N 3.21Å; Q1624-D1626 PolarHBondContact O-N 3.31Å; Q1624-E1771 PolarHBondContact NE2-OE1 2.83Å |
| 1625 | N | 55 | Low | 64.9 | Low | 84 Ų | 84 | 63.7 Ų | 63.7 | 45% | 0.449 | 34% | 0.339 | S | S | . | . | trans | -74.3 | 52.6 | 175.9 | -89.3 | -7.6 | 0 | 0 | 0 | 112.4 | V1622 D1623 P1627 K1719 | V1622-N1625 VanDerWaalsContact O-CG 3.29Å; D1623-N1625 PolarHBondContact O-N 3.18Å; D1623-N1625 VanDerWaalsContact O-N 3.13Å; N1625-P1627 WeakPolarHBondContact O-CD 3.3Å; N1625-K1719 PolarHBondContact OD1-NZ 3.34Å | ||
| 1626 | D | 56 | Low | 62.2 | Low | 82 Ų | 82 | 70.1 Ų | 70.1 | 44% | 0.439 | 38% | 0.381 | S | S | . | . | trans | -82 | 103.5 | 164.3 | -177.4 | 0.5 | 0 | 0 | 0 | 108.6 | Q1624 D1628 R1629 | Q1624-D1626 PolarHBondContact O-N 3.31Å; D1626-D1628 PolarHBondContact O-N 3.28Å; D1626-D1628 VanDerWaalsContact O-N 3.15Å; D1626-D1628 WeakPolarHBondContact OD1-CB 3.39Å; D1626-D1628 PolarHBondContact OD1-N 3Å; D1626-R1629 HydrophobicContact CB-CB 3.99Å; D1626-R1629 PolarHBondContact O-N 3.09Å | ||
| 1627 | P | 52.8 | Low | 59.6 | Low | 86 Ų | 86 | 72.5 Ų | 72.5 | 56% | 0.558 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -20.3 | 179.7 | 27.4 | -34.5 | 0 | 0 | 0 | 112.4 | N1625 | N1625-P1627 WeakPolarHBondContact O-CD 3.3Š|
| 1628 | D | 52.3 | Low | 57.4 | Low | 99 Ų | 99 | 75.9 Ų | 75.9 | 53% | 0.529 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -26.1 | -179.2 | -69.1 | -22.1 | 0 | 0 | 0 | 112.4 | D1626 F1630 L1631 | D1626-D1628 PolarHBondContact O-N 3.28Å; D1626-D1628 VanDerWaalsContact O-N 3.15Å; D1626-D1628 WeakPolarHBondContact OD1-CB 3.39Å; D1626-D1628 PolarHBondContact OD1-N 3Å; D1628-F1630 PolarHBondContact O-N 3.19Å; D1628-F1630 VanDerWaalsContact O-N 3.09Å; D1628-L1631 HydrophobicContact CB-CD1 3.66Å; D1628-L1631 HydrophobicContact CB-CG 4.39Å; D1628-L1631 WeakPolarHBondContact O-CB 3.41Å; D1628-L1631 WeakPolarHBondContact O-CD1 3.14Å; D1628-L1631 VanDerWaalsContact O-CG 3.24Å; D1628-L1631 WeakPolarHBondContact O-CG 3.46Å; D1628-L1631 PolarHBondContact O-N 3.15Å |
| 1629 | R | 53.4 | Low | 55.3 | Low | 53 Ų | 53 | 81.8 Ų | 81.8 | 20% | 0.2 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -26.9 | -179.6 | -170.3 | 172 | 179.3 | -171.3 | -3 | 113.3 | D1626 T1726 D1727 | D1626-R1629 HydrophobicContact CB-CB 3.99Å; D1626-R1629 PolarHBondContact O-N 3.09Å; R1629-T1726 HydrophobicContact CG-CG2 4.42Å; R1629-D1727 IonicContact CZ-OD1 3.84Å; R1629-D1727 IonicContact NH2-OD1 3.03Å; R1629-D1727 PolarHBondContact NH2-OD1 3.36Å; R1629-D1727 IonicContact NH2-OD2 3.26Å |
| 1630 | F | 53.8 | Low | 53.3 | Low | 43 Ų | 43 | 85.2 Ų | 85.2 | 19% | 0.189 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 4.7 | 178.9 | -53.4 | -71.9 | 0 | 0 | 0 | 114 | D1628 P1632 F1633 L1722 M1723 | D1628-F1630 PolarHBondContact O-N 3.19Å; D1628-F1630 VanDerWaalsContact O-N 3.09Å; F1630-P1632 VanDerWaalsContact C-N 3.35Å; F1630-F1633 PolarHBondContact O-N 2.76Å; F1630-F1633 VanDerWaalsContact O-N 3.08Å; F1630-L1722 HydrophobicContact CD1-CB 3.8Å; F1630-L1722 HydrophobicContact CE1-CB 3.62Å; F1630-M1723 HydrophobicContact CE1-CG 4.05Å; F1630-M1723 HydrophobicContact CZ-CG 3.94Å |
| 1631 | L | 47.8 | Very low | 51.4 | Low | 79 Ų | 79 | 87.7 Ų | 87.7 | 41% | 0.414 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -54 | -35.6 | 178 | -77.5 | 165.3 | 0 | 0 | 0 | 115 | D1628 F1633 R1634 | D1628-L1631 HydrophobicContact CB-CD1 3.66Å; D1628-L1631 HydrophobicContact CB-CG 4.39Å; D1628-L1631 WeakPolarHBondContact O-CB 3.41Å; D1628-L1631 WeakPolarHBondContact O-CD1 3.14Å; D1628-L1631 VanDerWaalsContact O-CG 3.24Å; D1628-L1631 WeakPolarHBondContact O-CG 3.46Å; D1628-L1631 PolarHBondContact O-N 3.15Å; L1631-F1633 PolarHBondContact O-N 2.63Å; L1631-F1633 VanDerWaalsContact O-N 3.17Å; L1631-R1634 WeakPolarHBondContact O-CA 3.38Å; L1631-R1634 WeakPolarHBondContact O-CB 3.36Å; L1631-R1634 PolarHBondContact O-N 2.96Å |
| 1632 | P | 46 | Very low | 49.2 | Very low | 107 Ų | 107 | 95.5 Ų | 95.5 | 70% | 0.695 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -62.8 | -23.6 | 177.8 | -22.5 | 33.3 | 0 | 0 | 0 | 113.6 | F1630 | F1630-P1632 VanDerWaalsContact C-N 3.35Š|
| 1633 | F | 46.3 | Very low | 47.5 | Very low | 83 Ų | 83 | 94.6 Ų | 94.6 | 36% | 0.364 | 48% | 0.482 | S | S | . | . | G | 310 helix | trans | -84.5 | -13.3 | 173.6 | -74.8 | -83.6 | 0 | 0 | 0 | 113 | V1592 F1630 L1631 A1635 L1722 T1725 | V1592-F1633 HydrophobicContact CG2-CE1 3.8Å; V1592-F1633 HydrophobicContact CG2-CZ 4.31Å; F1630-F1633 PolarHBondContact O-N 2.76Å; F1630-F1633 VanDerWaalsContact O-N 3.08Å; L1631-F1633 PolarHBondContact O-N 2.63Å; L1631-F1633 VanDerWaalsContact O-N 3.17Å; F1633-A1635 VanDerWaalsContact C-N 3.25Å; F1633-A1635 PolarHBondContact O-N 3.4Å; F1633-A1635 VanDerWaalsContact O-N 3.11Å; F1633-L1722 HydrophobicContact CD1-CD2 4.5Å; F1633-L1722 HydrophobicContact CG-CD2 4.43Å; F1633-T1725 WeakPolarHBondContact CZ-OG1 3.45Å |
| 1634 | R | 38.6 | Very low | 46.2 | Very low | 151 Ų | 151 | 93.7 Ų | 93.7 | 57% | 0.57 | 47% | 0.471 | S | S | * | . | trans | -82.1 | 66.4 | 167 | -72 | 173.9 | 163.4 | 172.1 | 0.7 | 109.7 | L1631 | L1631-R1634 WeakPolarHBondContact O-CA 3.38Å; L1631-R1634 WeakPolarHBondContact O-CB 3.36Å; L1631-R1634 PolarHBondContact O-N 2.96Å | ||
| 1635 | A | 38.1 | Very low | 44.9 | Very low | 62 Ų | 62 | 94 Ų | 94 | 51% | 0.512 | 48% | 0.477 | S | S | . | . | trans | -52.9 | 153.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | F1633 L1637 | F1633-A1635 VanDerWaalsContact C-N 3.25Å; F1633-A1635 PolarHBondContact O-N 3.4Å; F1633-A1635 VanDerWaalsContact O-N 3.11Å; A1635-L1637 VanDerWaalsContact C-N 3.29Å; A1635-L1637 WeakPolarHBondContact O-CG 3.44Å; A1635-L1637 PolarHBondContact O-N 3.18Å | ||
| 1636 | P | 35.4 | Very low | 44 | Very low | 135 Ų | 135 | 94.5 Ų | 94.5 | 88% | 0.877 | 48% | 0.479 | S | S | * | . | trans | -62.5 | 91 | -176.8 | -11.7 | 24.5 | 0 | 0 | 0 | 109.5 | T1638 | P1636-T1638 PolarHBondContact O-N 3.34Å; P1636-T1638 VanDerWaalsContact O-N 3.11Å | ||
| 1637 | L | 36.9 | Very low | 43.4 | Very low | 67 Ų | 67 | 93.9 Ų | 93.9 | 35% | 0.351 | 47% | 0.473 | S | S | . | . | trans | -67.7 | 114.1 | -179.7 | -68.1 | 170.1 | 0 | 0 | 0 | 106 | A1635 K1639 K1641 | A1635-L1637 VanDerWaalsContact C-N 3.29Å; A1635-L1637 WeakPolarHBondContact O-CG 3.44Å; A1635-L1637 PolarHBondContact O-N 3.18Å; L1637-K1639 PolarHBondContact O-N 2.71Å; L1637-K1641 HydrophobicContact CB-CB 4.02Å; L1637-K1641 HydrophobicContact CD2-CB 3.85Å; L1637-K1641 HydrophobicContact CD2-CD 3.82Å; L1637-K1641 HydrophobicContact CD2-CG 4.49Å; L1637-K1641 HydrophobicContact CG-CB 4.39Å | ||
| 1638 | T | 42.1 | Very low | 42.9 | Very low | 100 Ų | 100 | 93.5 Ų | 93.5 | 61% | 0.613 | 47% | 0.467 | S | S | * | . | trans | -41.6 | 136.1 | 164.2 | 49.7 | 0 | 0 | 0 | 0 | 109.1 | P1636 K1640 K1641 | P1636-T1638 PolarHBondContact O-N 3.34Å; P1636-T1638 VanDerWaalsContact O-N 3.11Å; T1638-K1640 PolarHBondContact O-N 2.89Å; T1638-K1641 PolarHBondContact O-N 3.36Å | ||
| 1639 | K | 43.1 | Very low | 42.1 | Very low | 135 Ų | 135 | 92.4 Ų | 92.4 | 59% | 0.587 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -37.7 | -43.7 | -174.1 | -89.5 | -173.2 | 170.2 | -167.1 | 0 | 114.2 | L1637 K1641 R1642 D2034 | L1637-K1639 PolarHBondContact O-N 2.71Å; K1639-K1641 PolarHBondContact O-N 3.44Å; K1639-R1642 VanDerWaalsContact O-CB 3.31Å; K1639-R1642 WeakPolarHBondContact O-CB 3.39Å; K1639-R1642 PolarHBondContact O-N 3.28Å; K1639-R1642 VanDerWaalsContact O-N 3.09Å; K1639-D2034 HydrophobicContact CB-CB 4.47Å |
| 1640 | K | 42.6 | Very low | 41.5 | Very low | 122 Ų | 122 | 96.2 Ų | 96.2 | 53% | 0.53 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -52.6 | -38.3 | 173.8 | -78.6 | -177.8 | 179.3 | 160.5 | 0 | 116.9 | T1638 D2034 | T1638-K1640 PolarHBondContact O-N 2.89Å; K1640-D2034 WeakPolarHBondContact CG-OD2 3.42Å |
| 1641 | K | 41.9 | Very low | 41 | Very low | 131 Ų | 131 | 96.1 Ų | 96.1 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -78.3 | -27.6 | 178.3 | -80.7 | -173.3 | 176.6 | 179.2 | 0 | 111.8 | L1637 T1638 K1639 I1643 K1644 T1645 | L1637-K1641 HydrophobicContact CB-CB 4.02Å; L1637-K1641 HydrophobicContact CD2-CB 3.85Å; L1637-K1641 HydrophobicContact CD2-CD 3.82Å; L1637-K1641 HydrophobicContact CD2-CG 4.49Å; L1637-K1641 HydrophobicContact CG-CB 4.39Å; T1638-K1641 PolarHBondContact O-N 3.36Å; K1639-K1641 PolarHBondContact O-N 3.44Å; K1641-I1643 VanDerWaalsContact C-N 3.29Å; K1641-I1643 PolarHBondContact O-N 3.32Å; K1641-K1644 PolarHBondContact O-N 3.23Å; K1641-T1645 PolarHBondContact O-N 2.93Å; K1641-T1645 PolarHBondContact O-OG1 3.41Å |
| 1642 | R | 37 | Very low | 40.7 | Very low | 166 Ų | 166 | 94.6 Ų | 94.6 | 63% | 0.626 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.6 | -37.4 | -179.5 | -142.2 | 176.2 | -179.3 | 177.2 | -0.3 | 111.9 | K1639 T1645 L1646 | K1639-R1642 VanDerWaalsContact O-CB 3.31Å; K1639-R1642 WeakPolarHBondContact O-CB 3.39Å; K1639-R1642 PolarHBondContact O-N 3.28Å; K1639-R1642 VanDerWaalsContact O-N 3.09Å; R1642-T1645 PolarHBondContact O-N 3.03Å; R1642-L1646 WeakPolarHBondContact O-CB 3.12Å; R1642-L1646 WeakPolarHBondContact O-CG 3.04Å; R1642-L1646 PolarHBondContact O-N 3.46Å |
| 1643 | I | 41.1 | Very low | 40.7 | Very low | 21 Ų | 21 | 95.8 Ų | 95.8 | 11% | 0.108 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -67 | -44.5 | 177.8 | -57.6 | 150.6 | 0 | 0 | 0 | 111.5 | K1641 T1645 L1646 Q1647 I2029 D2034 V2036 | K1641-I1643 VanDerWaalsContact C-N 3.29Å; K1641-I1643 PolarHBondContact O-N 3.32Å; I1643-T1645 VanDerWaalsContact C-N 3.3Å; I1643-T1645 PolarHBondContact O-N 2.97Å; I1643-L1646 PolarHBondContact O-N 3.29Å; I1643-Q1647 PolarHBondContact O-N 3Å; I1643-I2029 HydrophobicContact CD1-CG2 4.39Å; I1643-I2029 HydrophobicContact CG2-CG2 4.34Å; I1643-D2034 HydrophobicContact CD1-CB 4.14Å; I1643-D2034 WeakPolarHBondContact CD1-O 3.35Å; I1643-V2036 HydrophobicContact CG2-CG2 3.58Å |
| 1644 | K | 43.3 | Very low | 41 | Very low | 109 Ų | 109 | 94 Ų | 94 | 47% | 0.474 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.8 | -37.5 | 174.3 | -109.6 | -171.3 | 175.8 | -168.1 | 0 | 112.1 | K1641 N1648 | K1641-K1644 PolarHBondContact O-N 3.23Å; K1644-N1648 PolarHBondContact O-N 2.94Å |
| 1645 | T | 39.6 | Very low | 42.1 | Very low | 58 Ų | 58 | 87.3 Ų | 87.3 | 36% | 0.356 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -70.8 | -37.2 | 174.9 | -47.9 | 0 | 0 | 0 | 0 | 111.7 | K1641 R1642 I1643 N1648 L1649 | K1641-T1645 PolarHBondContact O-N 2.93Å; K1641-T1645 PolarHBondContact O-OG1 3.41Å; R1642-T1645 PolarHBondContact O-N 3.03Å; I1643-T1645 VanDerWaalsContact C-N 3.3Å; I1643-T1645 PolarHBondContact O-N 2.97Å; T1645-N1648 CarbonylContact O-C 3.42Å; T1645-N1648 PolarHBondContact O-N 3.43Å; T1645-L1649 HydrophobicContact CG2-CD1 3.97Å; T1645-L1649 HydrophobicContact CG2-CG 4.4Å; T1645-L1649 WeakPolarHBondContact O-CB 3.47Å; T1645-L1649 WeakPolarHBondContact O-CD1 3.41Å; T1645-L1649 WeakPolarHBondContact O-CG 3.42Å; T1645-L1649 PolarHBondContact O-N 2.95Å |
| 1646 | L | 36.3 | Very low | 43.4 | Very low | 96 Ų | 96 | 87.1 Ų | 87.1 | 50% | 0.503 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.7 | -40.3 | 176.2 | -80.2 | 160.8 | 0 | 0 | 0 | 112.5 | R1642 I1643 N1648 L1649 N1650 | R1642-L1646 WeakPolarHBondContact O-CB 3.12Å; R1642-L1646 WeakPolarHBondContact O-CG 3.04Å; R1642-L1646 PolarHBondContact O-N 3.46Å; I1643-L1646 PolarHBondContact O-N 3.29Å; L1646-N1648 VanDerWaalsContact C-N 3.33Å; L1646-N1648 PolarHBondContact O-N 3.32Å; L1646-L1649 PolarHBondContact O-N 3.28Å; L1646-N1650 PolarHBondContact O-N 2.92Å |
| 1647 | Q | 43 | Very low | 45.1 | Very low | 68 Ų | 68 | 84.4 Ų | 84.4 | 32% | 0.318 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 171.9 | -77.5 | 173.5 | -21.8 | 0 | 0 | 111.9 | I1643 L1649 D2027 | I1643-Q1647 PolarHBondContact O-N 3Å; Q1647-L1649 VanDerWaalsContact C-N 3.27Å; Q1647-L1649 PolarHBondContact O-N 3.47Å; Q1647-D2027 PolarHBondContact NE2-OD2 2.87Å |
| 1648 | N | 43.2 | Very low | 47.1 | Very low | 78 Ų | 78 | 81.3 Ų | 81.3 | 42% | 0.417 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -74.4 | -12.3 | 173.4 | -72.7 | 17.2 | 0 | 0 | 0 | 113.5 | K1644 T1645 L1646 S1651 Y1652 | K1644-N1648 PolarHBondContact O-N 2.94Å; T1645-N1648 CarbonylContact O-C 3.42Å; T1645-N1648 PolarHBondContact O-N 3.43Å; L1646-N1648 VanDerWaalsContact C-N 3.33Å; L1646-N1648 PolarHBondContact O-N 3.32Å; N1648-S1651 PolarHBondContact O-OG 3.32Å; N1648-Y1652 WeakPolarHBondContact O-CD2 3.26Å; N1648-Y1652 VanDerWaalsContact O-CE2 3.23Å; N1648-Y1652 WeakPolarHBondContact O-CE2 3.12Å |
| 1649 | L | 34.8 | Very low | 49 | Very low | 77 Ų | 77 | 77.6 Ų | 77.6 | 40% | 0.403 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -90.2 | -34.5 | 178.6 | -80.1 | 164.6 | 0 | 0 | 0 | 112 | T1645 L1646 Q1647 S1651 Y1652 | T1645-L1649 HydrophobicContact CG2-CD1 3.97Å; T1645-L1649 HydrophobicContact CG2-CG 4.4Å; T1645-L1649 WeakPolarHBondContact O-CB 3.47Å; T1645-L1649 WeakPolarHBondContact O-CD1 3.41Å; T1645-L1649 WeakPolarHBondContact O-CG 3.42Å; T1645-L1649 PolarHBondContact O-N 2.95Å; L1646-L1649 PolarHBondContact O-N 3.28Å; Q1647-L1649 VanDerWaalsContact C-N 3.27Å; Q1647-L1649 PolarHBondContact O-N 3.47Å; L1649-S1651 PolarHBondContact O-N 3.12Å; L1649-S1651 VanDerWaalsContact O-N 3.14Å; L1649-Y1652 HydrophobicContact CD2-CD2 4.15Å; L1649-Y1652 HydrophobicContact CD2-CE2 4.37Å; L1649-Y1652 WeakPolarHBondContact O-CB 3.43Å; L1649-Y1652 PolarHBondContact O-N 3.45Å |
| 1650 | N | 39.9 | Very low | 50.6 | Low | 132 Ų | 132 | 76.7 Ų | 76.7 | 71% | 0.706 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -17.9 | 174.4 | -73.9 | -4.3 | 0 | 0 | 0 | 112.9 | L1646 | L1646-N1650 PolarHBondContact O-N 2.92Š|
| 1651 | S | 45 | Very low | 52.6 | Low | 41 Ų | 41 | 71.2 Ų | 71.2 | 29% | 0.287 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -13.8 | 171.3 | 60.2 | 0 | 0 | 0 | 0 | 114.3 | N1648 L1649 S1654 | N1648-S1651 PolarHBondContact O-OG 3.32Å; L1649-S1651 PolarHBondContact O-N 3.12Å; L1649-S1651 VanDerWaalsContact O-N 3.14Å; S1651-S1654 PolarHBondContact O-OG 3.21Å; S1651-S1654 VanDerWaalsContact O-OG 3.14Å |
| 1652 | Y | 41.3 | Very low | 54.9 | Low | 47 Ų | 47 | 67.4 Ų | 67.4 | 18% | 0.184 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -74.1 | -37.9 | -179.8 | -83.1 | -95.7 | 0 | 0 | 0 | 113.1 | N1648 L1649 S1654 N1655 E1656 K1718 | N1648-Y1652 WeakPolarHBondContact O-CD2 3.26Å; N1648-Y1652 VanDerWaalsContact O-CE2 3.23Å; N1648-Y1652 WeakPolarHBondContact O-CE2 3.12Å; L1649-Y1652 HydrophobicContact CD2-CD2 4.15Å; L1649-Y1652 HydrophobicContact CD2-CE2 4.37Å; L1649-Y1652 WeakPolarHBondContact O-CB 3.43Å; L1649-Y1652 PolarHBondContact O-N 3.45Å; Y1652-S1654 PolarHBondContact O-N 2.82Å; Y1652-N1655 PolarHBondContact O-N 3.15Å; Y1652-E1656 PolarHBondContact O-N 3.44Å; Y1652-K1718 WeakPolarHBondContact OH-CD 3.34Å; Y1652-K1718 WeakPolarHBondContact OH-CE 3.2Å; Y1652-K1718 PolarHBondContact OH-NZ 2.99Å |
| 1653 | D | 45.1 | Very low | 57.4 | Low | 132 Ų | 132 | 59.6 Ų | 59.6 | 71% | 0.706 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.4 | -33.3 | -178.9 | -108.7 | -4.7 | 0 | 0 | 0 | 111.9 | ||
| 1654 | S | 52.3 | Low | 59.9 | Low | 46 Ų | 46 | 58.7 Ų | 58.7 | 32% | 0.322 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -77.8 | -29 | 179.2 | 67.2 | 0 | 0 | 0 | 0 | 113.3 | S1651 Y1652 T1657 | S1651-S1654 PolarHBondContact O-OG 3.21Å; S1651-S1654 VanDerWaalsContact O-OG 3.14Å; Y1652-S1654 PolarHBondContact O-N 2.82Å; S1654-T1657 PolarHBondContact O-OG1 2.95Å |
| 1655 | N | 62.4 | Low | 62.3 | Low | 10 Ų | 10 | 58.9 Ų | 58.9 | 5% | 0.053 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -76.3 | -31.1 | 179.8 | -75.7 | -19.1 | 0 | 0 | 0 | 113 | Y1652 T1657 I1658 V1659 S1715 | Y1652-N1655 PolarHBondContact O-N 3.15Å; N1655-T1657 VanDerWaalsContact C-N 3.29Å; N1655-T1657 PolarHBondContact O-N 3.24Å; N1655-I1658 PolarHBondContact O-N 3.4Å; N1655-V1659 PolarHBondContact O-N 3.4Å; N1655-S1715 PolarHBondContact ND2-OG 3.1Å |
| 1656 | E | 64.9 | Low | 64.8 | Low | 58 Ų | 58 | 56.2 Ų | 56.2 | 27% | 0.271 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.3 | -36.4 | 176.3 | -69.9 | -164.9 | 167.5 | 0 | 0 | 111.9 | Y1652 I1658 V1659 T1660 K1719 | Y1652-E1656 PolarHBondContact O-N 3.44Å; E1656-I1658 VanDerWaalsContact C-N 3.29Å; E1656-I1658 PolarHBondContact O-N 2.8Å; E1656-V1659 PolarHBondContact O-N 2.95Å; E1656-T1660 PolarHBondContact O-N 3.44Å; E1656-K1719 IonicContact OE1-NZ 2.72Å; E1656-K1719 PolarHBondContact OE1-NZ 3.44Å |
| 1657 | T | 70.5 | Confident | 67.6 | Low | 79 Ų | 79 | 51.6 Ų | 51.6 | 49% | 0.485 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.3 | -41.8 | 175.1 | 66.6 | 0 | 0 | 0 | 0 | 111.8 | S1654 N1655 V1659 T1660 T1661 | S1654-T1657 PolarHBondContact O-OG1 2.95Å; N1655-T1657 VanDerWaalsContact C-N 3.29Å; N1655-T1657 PolarHBondContact O-N 3.24Å; T1657-V1659 PolarHBondContact O-N 3.47Å; T1657-T1660 PolarHBondContact O-N 3.33Å; T1657-T1660 VanDerWaalsContact O-N 3.14Å; T1657-T1660 PolarHBondContact O-OG1 2.79Å; T1657-T1661 WeakPolarHBondContact O-CG2 3.45Å; T1657-T1661 PolarHBondContact O-N 2.96Å |
| 1658 | I | 79.5 | Confident | 70 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 178.9 | -64 | -67.7 | 0 | 0 | 0 | 112.1 | H1239 N1655 E1656 T1660 T1661 F1664 A1708 L1709 A1712 | H1239-I1658 HydrophobicContact CB-CD1 3.7Å; N1655-I1658 PolarHBondContact O-N 3.4Å; E1656-I1658 VanDerWaalsContact C-N 3.29Å; E1656-I1658 PolarHBondContact O-N 2.8Å; I1658-T1660 PolarHBondContact O-N 3.13Å; I1658-T1661 HydrophobicContact CD1-CG2 4.39Å; I1658-T1661 WeakPolarHBondContact O-CB 3.36Å; I1658-T1661 PolarHBondContact O-N 2.8Å; I1658-T1661 PolarHBondContact O-OG1 2.64Å; I1658-F1664 HydrophobicContact CG2-CD2 4.49Å; I1658-F1664 VanDerWaalsContact O-CB 3.26Å; I1658-F1664 WeakPolarHBondContact O-CB 3.45Å; I1658-A1708 HydrophobicContact CD1-CB 4.26Å; I1658-A1708 HydrophobicContact CG1-CB 4.32Å; I1658-L1709 HydrophobicContact CG2-CD2 3.92Å; I1658-A1712 HydrophobicContact CB-CB 4Å; I1658-A1712 HydrophobicContact CG2-CB 3.66Å |
| 1659 | V | 81.3 | Confident | 72.4 | Confident | 22 Ų | 22 | 49.2 Ų | 49.2 | 13% | 0.133 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.1 | -29.1 | 178 | 178.6 | 0 | 0 | 0 | 0 | 111.6 | V1622 N1655 E1656 T1657 F1664 A1712 L1716 | V1622-V1659 HydrophobicContact CG2-CG1 4.1Å; N1655-V1659 PolarHBondContact O-N 3.4Å; E1656-V1659 PolarHBondContact O-N 2.95Å; T1657-V1659 PolarHBondContact O-N 3.47Å; V1659-F1664 HydrophobicContact CB-CD1 4.46Å; V1659-F1664 HydrophobicContact CB-CE1 4.46Å; V1659-F1664 HydrophobicContact CG1-CD1 4.11Å; V1659-F1664 HydrophobicContact CG1-CE1 3.89Å; V1659-F1664 HydrophobicContact CG1-CZ 4.47Å; V1659-F1664 HydrophobicContact CG2-CZ 4.37Å; V1659-F1664 WeakPolarHBondContact O-CD1 3.39Å; V1659-A1712 HydrophobicContact CG2-CB 3.97Å; V1659-L1716 HydrophobicContact CG1-CD1 4.26Å; V1659-L1716 HydrophobicContact CG2-CD1 4.07Å; V1659-L1716 HydrophobicContact CG2-CD2 4.46Å; V1659-L1716 HydrophobicContact CG2-CG 4.26Å |
| 1660 | T | 77.2 | Confident | 75.2 | Confident | 116 Ų | 116 | 45.5 Ų | 45.5 | 71% | 0.712 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -6.9 | 177.1 | 68.8 | 0 | 0 | 0 | 0 | 114.3 | E1656 T1657 I1658 | E1656-T1660 PolarHBondContact O-N 3.44Å; T1657-T1660 PolarHBondContact O-N 3.33Å; T1657-T1660 VanDerWaalsContact O-N 3.14Å; T1657-T1660 PolarHBondContact O-OG1 2.79Å; I1658-T1660 PolarHBondContact O-N 3.13Å |
| 1661 | T | 85.8 | Confident | 77.7 | Confident | 6 Ų | 6 | 39.2 Ų | 39.2 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -74.1 | 149.7 | -177.4 | 66.4 | 0 | 0 | 0 | 0 | 112.3 | S1240 T1657 I1658 F1664 R1665 | S1240-T1661 WeakPolarHBondContact OG-CB 3.28Å; S1240-T1661 WeakPolarHBondContact OG-CG2 3.32Å; T1657-T1661 WeakPolarHBondContact O-CG2 3.45Å; T1657-T1661 PolarHBondContact O-N 2.96Å; I1658-T1661 HydrophobicContact CD1-CG2 4.39Å; I1658-T1661 WeakPolarHBondContact O-CB 3.36Å; I1658-T1661 PolarHBondContact O-N 2.8Å; I1658-T1661 PolarHBondContact O-OG1 2.64Å; T1661-F1664 PolarHBondContact O-N 3.43Å; T1661-F1664 VanDerWaalsContact O-N 3.09Å; T1661-R1665 PolarHBondContact O-N 3.38Å |
| 1662 | E | 88.7 | Confident | 80 | Confident | 51 Ų | 51 | 42 Ų | 42 | 24% | 0.238 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57 | -43.3 | 178.1 | -176.8 | 65.4 | -172.6 | 0 | 0 | 113.1 | I1236 F1664 R1665 L1666 | I1236-E1662 HydrophobicContact CD1-CB 4.14Å; I1236-E1662 HydrophobicContact CD1-CG 3.87Å; E1662-F1664 PolarHBondContact O-N 3.45Å; E1662-R1665 WeakPolarHBondContact O-CB 3.04Å; E1662-R1665 PolarHBondContact O-N 2.88Å; E1662-R1665 IonicContact OE1-CZ 3.78Å; E1662-R1665 IonicContact OE1-NE 2.77Å; E1662-R1665 PolarHBondContact OE1-NE 3.13Å; E1662-R1665 IonicContact OE1-NH2 3.38Å; E1662-R1665 PolarHBondContact OE1-NH2 3.04Å; E1662-R1665 IonicContact OE2-CZ 3.42Å; E1662-R1665 IonicContact OE2-NE 3.49Å; E1662-R1665 PolarHBondContact OE2-NE 3.3Å; E1662-R1665 IonicContact OE2-NH2 3.97Å; E1662-L1666 HydrophobicContact CG-CD1 4.15Å; E1662-L1666 HydrophobicContact CG-CG 4.49Å; E1662-L1666 WeakPolarHBondContact O-CG 3.46Å; E1662-L1666 PolarHBondContact O-N 2.96Å |
| 1663 | P | 91.3 | Very high | 82.3 | Confident | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.019 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -50.8 | -48.3 | 169.4 | -33.5 | 39.1 | 0 | 0 | 0 | 114.8 | Y1549 L1553 W1561 R1665 L1666 L1667 | Y1549-P1663 PolarHBondContact OH-O 2.9Å; L1553-P1663 HydrophobicContact CD2-CB 4.03Å; L1553-P1663 HydrophobicContact CD2-CG 4.21Å; W1561-P1663 HydrophobicContact CH2-CB 3.88Å; W1561-P1663 HydrophobicContact CH2-CG 4.21Å; W1561-P1663 HydrophobicContact CZ3-CB 4.4Å; W1561-P1663 HydrophobicContact CZ3-CG 4.23Å; P1663-R1665 VanDerWaalsContact C-N 3.32Å; P1663-R1665 PolarHBondContact O-N 3.39Å; P1663-L1666 PolarHBondContact O-N 3.1Å; P1663-L1667 PolarHBondContact O-N 2.96Å |
| 1664 | F | 92.5 | Very high | 84.5 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.009 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.3 | -37.6 | 179.8 | -166.3 | -83.5 | 0 | 0 | 0 | 111.7 | L1615 I1658 V1659 T1661 E1662 L1667 K1668 L1709 A1712 L1716 | L1615-F1664 HydrophobicContact CD1-CD1 4.49Å; L1615-F1664 HydrophobicContact CD1-CE1 3.73Å; L1615-F1664 HydrophobicContact CD1-CE2 4.26Å; L1615-F1664 HydrophobicContact CD1-CZ 3.58Å; I1658-F1664 HydrophobicContact CG2-CD2 4.49Å; I1658-F1664 VanDerWaalsContact O-CB 3.26Å; I1658-F1664 WeakPolarHBondContact O-CB 3.45Å; V1659-F1664 HydrophobicContact CB-CD1 4.46Å; V1659-F1664 HydrophobicContact CB-CE1 4.46Å; V1659-F1664 HydrophobicContact CG1-CD1 4.11Å; V1659-F1664 HydrophobicContact CG1-CE1 3.89Å; V1659-F1664 HydrophobicContact CG1-CZ 4.47Å; V1659-F1664 HydrophobicContact CG2-CZ 4.37Å; V1659-F1664 WeakPolarHBondContact O-CD1 3.39Å; T1661-F1664 PolarHBondContact O-N 3.43Å; T1661-F1664 VanDerWaalsContact O-N 3.09Å; E1662-F1664 PolarHBondContact O-N 3.45Å; F1664-L1667 WeakPolarHBondContact O-CB 3.49Å; F1664-L1667 PolarHBondContact O-N 2.94Å; F1664-K1668 PolarHBondContact O-N 2.72Å; F1664-K1668 VanDerWaalsContact O-N 3.1Å; F1664-L1709 HydrophobicContact CB-CD2 4.15Å; F1664-L1709 HydrophobicContact CD2-CD2 3.89Å; F1664-A1712 HydrophobicContact CD2-CB 4.31Å; F1664-A1712 HydrophobicContact CE2-CB 4.01Å; F1664-L1716 HydrophobicContact CE1-CD1 4.11Å; F1664-L1716 HydrophobicContact CZ-CD1 3.62Å |
| 1665 | R | 93.1 | Very high | 86.2 | Confident | 112 Ų | 112 | 37.2 Ų | 37.2 | 42% | 0.423 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.5 | -44.5 | 172.5 | -166.7 | -168.3 | 71.9 | 76.7 | -1 | 111.6 | T1661 E1662 P1663 K1668 V1669 | T1661-R1665 PolarHBondContact O-N 3.38Å; E1662-R1665 WeakPolarHBondContact O-CB 3.04Å; E1662-R1665 PolarHBondContact O-N 2.88Å; E1662-R1665 IonicContact OE1-CZ 3.78Å; E1662-R1665 IonicContact OE1-NE 2.77Å; E1662-R1665 PolarHBondContact OE1-NE 3.13Å; E1662-R1665 IonicContact OE1-NH2 3.38Å; E1662-R1665 PolarHBondContact OE1-NH2 3.04Å; E1662-R1665 IonicContact OE2-CZ 3.42Å; E1662-R1665 IonicContact OE2-NE 3.49Å; E1662-R1665 PolarHBondContact OE2-NE 3.3Å; E1662-R1665 IonicContact OE2-NH2 3.97Å; P1663-R1665 VanDerWaalsContact C-N 3.32Å; P1663-R1665 PolarHBondContact O-N 3.39Å; R1665-K1668 WeakPolarHBondContact O-CB 2.92Å; R1665-K1668 PolarHBondContact O-N 2.96Å; R1665-V1669 WeakPolarHBondContact O-CG2 3.27Å; R1665-V1669 PolarHBondContact O-N 3.15Å |
| 1666 | L | 93.3 | Very high | 87.3 | Confident | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.7 | -35.3 | 178.7 | -67.7 | 170.8 | 0 | 0 | 0 | 112.6 | Y1549 Y1552 L1553 N1556 E1662 P1663 K1668 V1669 M1670 | Y1549-L1666 HydrophobicContact CE2-CB 4.33Å; Y1552-L1666 HydrophobicContact CD1-CD2 4.49Å; L1553-L1666 HydrophobicContact CD2-CD1 4.1Å; N1556-L1666 HydrophobicContact CB-CD1 3.67Å; N1556-L1666 HydrophobicContact CB-CD2 4.16Å; N1556-L1666 VanDerWaalsContact ND2-CD2 3.33Å; N1556-L1666 WeakPolarHBondContact ND2-CD2 3.25Å; E1662-L1666 HydrophobicContact CG-CD1 4.15Å; E1662-L1666 HydrophobicContact CG-CG 4.49Å; E1662-L1666 WeakPolarHBondContact O-CG 3.46Å; E1662-L1666 PolarHBondContact O-N 2.96Å; P1663-L1666 PolarHBondContact O-N 3.1Å; L1666-K1668 VanDerWaalsContact C-N 3.32Å; L1666-K1668 PolarHBondContact O-N 3.4Å; L1666-V1669 PolarHBondContact O-N 3.24Å; L1666-M1670 WeakPolarHBondContact O-CB 3.37Å; L1666-M1670 PolarHBondContact O-N 2.97Å |
| 1667 | L | 94.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.5 | -45.6 | 171.8 | -175.1 | 65 | 0 | 0 | 0 | 111 | Y1549 L1615 P1663 F1664 M1670 V1671 F1693 W1696 L1697 | Y1549-L1667 HydrophobicContact CD2-CD1 4.42Å; Y1549-L1667 HydrophobicContact CE2-CB 3.95Å; Y1549-L1667 HydrophobicContact CE2-CD1 4.18Å; L1615-L1667 HydrophobicContact CD1-CD2 4.2Å; L1615-L1667 HydrophobicContact CD1-CG 4.32Å; L1615-L1667 HydrophobicContact CD2-CG 4.3Å; P1663-L1667 PolarHBondContact O-N 2.96Å; F1664-L1667 WeakPolarHBondContact O-CB 3.49Å; F1664-L1667 PolarHBondContact O-N 2.94Å; L1667-M1670 HydrophobicContact CD1-CE 3.96Å; L1667-M1670 PolarHBondContact O-N 2.91Å; L1667-V1671 WeakPolarHBondContact O-CG2 3.36Å; L1667-V1671 PolarHBondContact O-N 3.09Å; L1667-V1671 VanDerWaalsContact O-N 3.15Å; L1667-F1693 HydrophobicContact CD1-CE2 3.9Å; L1667-F1693 HydrophobicContact CD2-CZ 4.49Å; L1667-F1693 HydrophobicContact CG-CE2 4.25Å; L1667-W1696 HydrophobicContact CD1-CH2 3.74Å; L1667-W1696 HydrophobicContact CD1-CZ3 3.55Å; L1667-L1697 HydrophobicContact CD2-CD1 4.16Å; L1667-L1697 HydrophobicContact CD2-CD2 4.5Å |
| 1668 | K | 93.9 | Very high | 88.6 | Confident | 50 Ų | 50 | 37.8 Ų | 37.8 | 22% | 0.217 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.9 | -43.8 | 175.4 | -179.5 | 177.2 | -179.5 | 163.1 | 0 | 112.2 | L1615 L1616 S1618 F1664 R1665 L1666 V1671 H1672 | L1615-K1668 HydrophobicContact CD1-CB 4.23Å; L1615-K1668 HydrophobicContact CG-CB 4.24Å; L1616-K1668 HydrophobicContact CD2-CG 4.37Å; L1616-K1668 WeakPolarHBondContact O-CE 2.8Å; L1616-K1668 PolarHBondContact O-NZ 2.85Å; S1618-K1668 PolarHBondContact OG-NZ 2.88Å; S1618-K1668 VanDerWaalsContact OG-NZ 3.1Å; F1664-K1668 PolarHBondContact O-N 2.72Å; F1664-K1668 VanDerWaalsContact O-N 3.1Å; R1665-K1668 WeakPolarHBondContact O-CB 2.92Å; R1665-K1668 PolarHBondContact O-N 2.96Å; L1666-K1668 VanDerWaalsContact C-N 3.32Å; L1666-K1668 PolarHBondContact O-N 3.4Å; K1668-V1671 PolarHBondContact O-N 3.33Å; K1668-H1672 VanDerWaalsContact O-CB 3.32Å; K1668-H1672 WeakPolarHBondContact O-CB 3.15Å; K1668-H1672 PolarHBondContact O-N 3.42Å |
| 1669 | V | 93.5 | Very high | 88.7 | Confident | 45 Ų | 45 | 42.3 Ų | 42.3 | 27% | 0.273 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.5 | -46.7 | 177 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | Y1552 R1665 L1666 V1671 H1672 D1673 | Y1552-V1669 HydrophobicContact CE1-CG1 4Å; R1665-V1669 WeakPolarHBondContact O-CG2 3.27Å; R1665-V1669 PolarHBondContact O-N 3.15Å; L1666-V1669 PolarHBondContact O-N 3.24Å; V1669-V1671 PolarHBondContact O-N 3.46Å; V1669-H1672 WeakPolarHBondContact O-CB 3.42Å; V1669-H1672 PolarHBondContact O-N 3.01Å; V1669-D1673 PolarHBondContact O-N 2.8Å |
| 1670 | M | 94 | Very high | 88.8 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.6 | -47.1 | 179.4 | -178 | -179 | 68.9 | 0 | 0 | 112.1 | T1548 Y1549 Y1552 L1666 L1667 H1672 D1673 W1674 W1696 | T1548-M1670 HydrophobicContact CG2-CG 4.01Å; T1548-M1670 HydrophobicContact CG2-SD 3.72Å; Y1549-M1670 HydrophobicContact CD2-CE 4.24Å; Y1549-M1670 HydrophobicContact CD2-SD 4.29Å; Y1549-M1670 HydrophobicContact CG-CE 4.3Å; Y1549-M1670 HydrophobicContact CG-SD 4.42Å; Y1552-M1670 HydrophobicContact CD2-CB 4.07Å; Y1552-M1670 HydrophobicContact CD2-CG 4.06Å; Y1552-M1670 HydrophobicContact CD2-SD 4.29Å; Y1552-M1670 HydrophobicContact CE2-CB 4.03Å; Y1552-M1670 HydrophobicContact CE2-CG 3.91Å; L1666-M1670 WeakPolarHBondContact O-CB 3.37Å; L1666-M1670 PolarHBondContact O-N 2.97Å; L1667-M1670 HydrophobicContact CD1-CE 3.96Å; L1667-M1670 PolarHBondContact O-N 2.91Å; M1670-H1672 VanDerWaalsContact C-N 3.34Å; M1670-D1673 PolarHBondContact O-N 3.17Å; M1670-W1674 HydrophobicContact CE-CH2 3.38Å; M1670-W1674 HydrophobicContact CE-CZ2 3.82Å; M1670-W1674 HydrophobicContact CE-CZ3 3.96Å; M1670-W1674 HydrophobicContact CG-CD2 4.36Å; M1670-W1674 HydrophobicContact CG-CH2 4.12Å; M1670-W1674 HydrophobicContact CG-CZ2 3.67Å; M1670-W1674 PolarHBondContact O-N 3.07Å; M1670-W1674 HydrophobicContact SD-CH2 3.82Å; M1670-W1674 HydrophobicContact SD-CZ2 3.57Å; M1670-W1674 VanDerWaalsContact SD-CZ2 3.57Å; M1670-W1696 HydrophobicContact CE-CH2 3.72Å; M1670-W1696 HydrophobicContact CE-CZ3 3.7Å |
| 1671 | V | 93 | Very high | 88.6 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.1 | -37 | 178.7 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | L1612 L1615 L1616 L1667 K1668 V1669 D1673 W1674 L1675 L1690 F1693 | L1612-V1671 HydrophobicContact CD2-CG1 3.6Å; L1615-V1671 HydrophobicContact CD2-CB 3.77Å; L1615-V1671 HydrophobicContact CD2-CG1 4.1Å; L1615-V1671 HydrophobicContact CD2-CG2 3.57Å; L1616-V1671 HydrophobicContact CD1-CG1 4.33Å; L1616-V1671 HydrophobicContact CD2-CG1 4.18Å; L1616-V1671 HydrophobicContact CG-CG1 4.31Å; L1667-V1671 WeakPolarHBondContact O-CG2 3.36Å; L1667-V1671 PolarHBondContact O-N 3.09Å; L1667-V1671 VanDerWaalsContact O-N 3.15Å; K1668-V1671 PolarHBondContact O-N 3.33Å; V1669-V1671 PolarHBondContact O-N 3.46Å; V1671-D1673 VanDerWaalsContact C-N 3.33Å; V1671-W1674 HydrophobicContact CG2-CE3 4.09Å; V1671-W1674 HydrophobicContact CG2-CZ3 4.08Å; V1671-W1674 PolarHBondContact O-N 3.23Å; V1671-L1675 PolarHBondContact O-N 3.27Å; V1671-L1690 HydrophobicContact CG1-CD2 3.8Å; V1671-F1693 HydrophobicContact CG2-CD2 3.59Å; V1671-F1693 HydrophobicContact CG2-CE2 3.62Å; V1671-F1693 HydrophobicContact CG2-CG 4.19Å; V1671-F1693 HydrophobicContact CG2-CZ 4.24Å |
| 1672 | H | 92 | Very high | 88.2 | Confident | 98 Ų | 98 | 51.1 Ų | 51.1 | 45% | 0.454 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 173.7 | 178.3 | -83.3 | 0 | 0 | 0 | 111.7 | L1616 K1668 V1669 M1670 L1675 K1676 | L1616-H1672 HydrophobicContact CD2-CB 3.91Å; K1668-H1672 VanDerWaalsContact O-CB 3.32Å; K1668-H1672 WeakPolarHBondContact O-CB 3.15Å; K1668-H1672 PolarHBondContact O-N 3.42Å; V1669-H1672 WeakPolarHBondContact O-CB 3.42Å; V1669-H1672 PolarHBondContact O-N 3.01Å; M1670-H1672 VanDerWaalsContact C-N 3.34Å; H1672-L1675 PolarHBondContact O-N 2.64Å; H1672-K1676 WeakPolarHBondContact O-CB 3.45Å; H1672-K1676 PolarHBondContact O-N 2.96Å |
| 1673 | D | 90.7 | Very high | 87.7 | Confident | 59 Ų | 59 | 50.2 Ų | 50.2 | 32% | 0.316 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.7 | -36.4 | 177.9 | -71.7 | -19 | 0 | 0 | 0 | 112.3 | Y1552 V1669 M1670 V1671 K1676 A1677 | Y1552-D1673 PolarHBondContact OH-OD2 3.22Å; V1669-D1673 PolarHBondContact O-N 2.8Å; M1670-D1673 PolarHBondContact O-N 3.17Å; V1671-D1673 VanDerWaalsContact C-N 3.33Å; D1673-K1676 PolarHBondContact O-N 3.22Å; D1673-A1677 WeakPolarHBondContact O-CB 3.49Å; D1673-A1677 PolarHBondContact O-N 3.13Å |
| 1674 | W | 91.6 | Very high | 87.1 | Confident | 19 Ų | 19 | 53 Ų | 53 | 7% | 0.072 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.5 | -47.2 | 169.5 | -63.6 | -24.3 | 0 | 0 | 0 | 111.7 | A1545 T1548 M1670 V1671 K1676 A1677 V1678 A1686 Q1689 L1690 F1693 | A1545-W1674 HydrophobicContact CB-CH2 3.99Å; T1548-W1674 HydrophobicContact CG2-CZ2 4.35Å; M1670-W1674 HydrophobicContact CE-CH2 3.38Å; M1670-W1674 HydrophobicContact CE-CZ2 3.82Å; M1670-W1674 HydrophobicContact CE-CZ3 3.96Å; M1670-W1674 HydrophobicContact CG-CD2 4.36Å; M1670-W1674 HydrophobicContact CG-CH2 4.12Å; M1670-W1674 HydrophobicContact CG-CZ2 3.67Å; M1670-W1674 PolarHBondContact O-N 3.07Å; M1670-W1674 HydrophobicContact SD-CH2 3.82Å; M1670-W1674 HydrophobicContact SD-CZ2 3.57Å; M1670-W1674 VanDerWaalsContact SD-CZ2 3.57Å; V1671-W1674 HydrophobicContact CG2-CE3 4.09Å; V1671-W1674 HydrophobicContact CG2-CZ3 4.08Å; V1671-W1674 PolarHBondContact O-N 3.23Å; W1674-K1676 VanDerWaalsContact C-N 3.27Å; W1674-K1676 PolarHBondContact O-N 3.28Å; W1674-A1677 WeakPolarHBondContact O-CB 3.32Å; W1674-A1677 PolarHBondContact O-N 2.79Å; W1674-A1677 VanDerWaalsContact O-N 3.09Å; W1674-V1678 WeakPolarHBondContact O-CG2 3.38Å; W1674-V1678 PolarHBondContact O-N 3.1Å; W1674-A1686 HydrophobicContact CB-CB 4.22Å; W1674-Q1689 HydrophobicContact CD2-CB 3.8Å; W1674-Q1689 HydrophobicContact CE3-CB 3.84Å; W1674-Q1689 HydrophobicContact CG-CB 4.34Å; W1674-Q1689 HydrophobicContact CH2-CB 4.19Å; W1674-Q1689 HydrophobicContact CZ2-CB 4.17Å; W1674-Q1689 HydrophobicContact CZ2-CG 4.3Å; W1674-Q1689 HydrophobicContact CZ3-CB 4.03Å; W1674-L1690 HydrophobicContact CB-CD1 4.5Å; W1674-L1690 HydrophobicContact CB-CD2 3.8Å; W1674-L1690 HydrophobicContact CB-CG 3.91Å; W1674-L1690 HydrophobicContact CE3-CD2 4.33Å; W1674-F1693 HydrophobicContact CZ3-CD2 4.32Å |
| 1675 | L | 87.3 | Confident | 86.5 | Confident | 48 Ų | 48 | 55.1 Ų | 55.1 | 25% | 0.251 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59 | -39.5 | 176.5 | -177.2 | 63 | 0 | 0 | 0 | 112 | L1616 V1671 H1672 V1678 T1679 L1690 L1774 | L1616-L1675 HydrophobicContact CD1-CD2 3.77Å; V1671-L1675 PolarHBondContact O-N 3.27Å; H1672-L1675 PolarHBondContact O-N 2.64Å; L1675-V1678 PolarHBondContact O-N 3.28Å; L1675-T1679 HydrophobicContact CD1-CG2 4.19Å; L1675-T1679 HydrophobicContact CG-CG2 4.48Å; L1675-T1679 WeakPolarHBondContact O-CB 3.48Å; L1675-T1679 WeakPolarHBondContact O-CG2 3.33Å; L1675-T1679 PolarHBondContact O-N 3.11Å; L1675-T1679 PolarHBondContact O-OG1 2.91Å; L1675-L1690 HydrophobicContact CB-CD1 4.22Å; L1675-L1690 HydrophobicContact CB-CD2 4.44Å; L1675-L1690 HydrophobicContact CD1-CD1 4.1Å; L1675-L1774 HydrophobicContact CD2-CD2 4.26Å |
| 1676 | K | 86.3 | Confident | 85.8 | Confident | 106 Ų | 106 | 49.8 Ų | 49.8 | 46% | 0.461 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64 | -41.5 | 174.6 | -170 | 177.9 | 179.7 | 179.8 | 0 | 111.8 | H1672 D1673 W1674 T1679 M1680 | H1672-K1676 WeakPolarHBondContact O-CB 3.45Å; H1672-K1676 PolarHBondContact O-N 2.96Å; D1673-K1676 PolarHBondContact O-N 3.22Å; W1674-K1676 VanDerWaalsContact C-N 3.27Å; W1674-K1676 PolarHBondContact O-N 3.28Å; K1676-T1679 WeakPolarHBondContact CA-OG1 3.36Å; K1676-T1679 PolarHBondContact O-N 2.94Å; K1676-T1679 PolarHBondContact O-OG1 2.81Å; K1676-M1680 HydrophobicContact CD-SD 3.98Å; K1676-M1680 WeakPolarHBondContact CE-SD 3.29Å; K1676-M1680 HydrophobicContact CG-CG 4.02Å; K1676-M1680 HydrophobicContact CG-SD 3.41Å; K1676-M1680 WeakPolarHBondContact CG-SD 3.26Å; K1676-M1680 WeakPolarHBondContact O-CB 3.49Å; K1676-M1680 WeakPolarHBondContact O-CG 3.49Å; K1676-M1680 PolarHBondContact O-N 2.95Å |
| 1677 | A | 80 | Confident | 85.3 | Confident | 22 Ų | 22 | 52.6 Ų | 52.6 | 18% | 0.182 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.8 | -38.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D1673 W1674 T1681 Q1682 D1683 A1686 | D1673-A1677 WeakPolarHBondContact O-CB 3.49Å; D1673-A1677 PolarHBondContact O-N 3.13Å; W1674-A1677 WeakPolarHBondContact O-CB 3.32Å; W1674-A1677 PolarHBondContact O-N 2.79Å; W1674-A1677 VanDerWaalsContact O-N 3.09Å; A1677-T1681 WeakPolarHBondContact CA-OG1 3.43Å; A1677-T1681 CarbonylContact O-C 3.52Å; A1677-T1681 WeakPolarHBondContact O-CA 3.34Å; A1677-T1681 PolarHBondContact O-N 2.76Å; A1677-T1681 PolarHBondContact O-OG1 3.37Å; A1677-Q1682 PolarHBondContact O-N 2.68Å; A1677-Q1682 VanDerWaalsContact O-N 3.16Å; A1677-D1683 HydrophobicContact CB-CB 3.88Å; A1677-D1683 WeakPolarHBondContact O-CB 3.46Å; A1677-D1683 PolarHBondContact O-N 3.13Å; A1677-D1683 VanDerWaalsContact O-N 3.07Å; A1677-A1686 HydrophobicContact CB-CB 3.73Å |
| 1678 | V | 82.2 | Confident | 84.6 | Confident | 31 Ų | 31 | 54.3 Ų | 54.3 | 19% | 0.188 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.7 | -46.7 | 174.5 | 177.9 | 0 | 0 | 0 | 0 | 111.3 | W1674 L1675 Q1682 A1686 D1687 L1690 | W1674-V1678 WeakPolarHBondContact O-CG2 3.38Å; W1674-V1678 PolarHBondContact O-N 3.1Å; L1675-V1678 PolarHBondContact O-N 3.28Å; V1678-Q1682 WeakPolarHBondContact O-CA 3.42Å; V1678-Q1682 PolarHBondContact O-N 2.86Å; V1678-Q1682 VanDerWaalsContact O-N 3.13Å; V1678-A1686 HydrophobicContact CG2-CB 3.78Å; V1678-D1687 HydrophobicContact CG1-CB 4.2Å; V1678-D1687 HydrophobicContact CG2-CB 3.66Å; V1678-L1690 HydrophobicContact CB-CD1 4.28Å; V1678-L1690 HydrophobicContact CG2-CD1 3.64Å |
| 1679 | T | 81.6 | Confident | 84.1 | Confident | 96 Ų | 96 | 52 Ų | 52 | 59% | 0.589 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -74.9 | -40.2 | -174.8 | 50.3 | 0 | 0 | 0 | 0 | 113.1 | L1675 K1676 | L1675-T1679 HydrophobicContact CD1-CG2 4.19Å; L1675-T1679 HydrophobicContact CG-CG2 4.48Å; L1675-T1679 WeakPolarHBondContact O-CB 3.48Å; L1675-T1679 WeakPolarHBondContact O-CG2 3.33Å; L1675-T1679 PolarHBondContact O-N 3.11Å; L1675-T1679 PolarHBondContact O-OG1 2.91Å; K1676-T1679 WeakPolarHBondContact CA-OG1 3.36Å; K1676-T1679 PolarHBondContact O-N 2.94Å; K1676-T1679 PolarHBondContact O-OG1 2.81Å |
| 1680 | M | 82.1 | Confident | 83.7 | Confident | 136 Ų | 136 | 50.4 Ų | 50.4 | 67% | 0.67 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -91.1 | -38.9 | -175.4 | -61.6 | -173.4 | 68.5 | 0 | 0 | 113.4 | K1676 | K1676-M1680 HydrophobicContact CD-SD 3.98Å; K1676-M1680 WeakPolarHBondContact CE-SD 3.29Å; K1676-M1680 HydrophobicContact CG-CG 4.02Å; K1676-M1680 HydrophobicContact CG-SD 3.41Å; K1676-M1680 WeakPolarHBondContact CG-SD 3.26Å; K1676-M1680 WeakPolarHBondContact O-CB 3.49Å; K1676-M1680 WeakPolarHBondContact O-CG 3.49Å; K1676-M1680 PolarHBondContact O-N 2.95Å |
| 1681 | T | 74.4 | Confident | 83.1 | Confident | 98 Ų | 98 | 54.1 Ų | 54.1 | 60% | 0.601 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -109.9 | -1.1 | -174.9 | 51.4 | 0 | 0 | 0 | 0 | 113.5 | A1677 D1683 | A1677-T1681 WeakPolarHBondContact CA-OG1 3.43Å; A1677-T1681 CarbonylContact O-C 3.52Å; A1677-T1681 WeakPolarHBondContact O-CA 3.34Å; A1677-T1681 PolarHBondContact O-N 2.76Å; A1677-T1681 PolarHBondContact O-OG1 3.37Å; T1681-D1683 PolarHBondContact O-N 2.91Å |
| 1682 | Q | 77.4 | Confident | 82.8 | Confident | 96 Ų | 96 | 55 Ų | 55 | 45% | 0.449 | 29% | 0.287 | S | S | . | . | trans | 51.9 | 39 | -172.7 | -62.8 | -174.7 | -21.7 | 0 | 0 | 111.5 | A1677 V1678 V1684 | A1677-Q1682 PolarHBondContact O-N 2.68Å; A1677-Q1682 VanDerWaalsContact O-N 3.16Å; V1678-Q1682 WeakPolarHBondContact O-CA 3.42Å; V1678-Q1682 PolarHBondContact O-N 2.86Å; V1678-Q1682 VanDerWaalsContact O-N 3.13Å; Q1682-V1684 PolarHBondContact O-N 3.08Å; Q1682-V1684 VanDerWaalsContact O-N 3.15Å | ||
| 1683 | D | 77.4 | Confident | 82.6 | Confident | 32 Ų | 32 | 50.4 Ų | 50.4 | 17% | 0.171 | 27% | 0.266 | C | S | . | . | trans | -71.6 | 109.5 | -175.6 | -167.1 | -43.5 | 0 | 0 | 0 | 110.8 | H1528 A1677 T1681 Y1685 A1686 D1687 | H1528-D1683 VanDerWaalsContact CE1-CG 3.4Å; H1528-D1683 IonicContact CE1-OD1 3.12Å; H1528-D1683 PolarHBondContact CE1-OD1 3.25Å; H1528-D1683 IonicContact CE1-OD2 3.19Å; H1528-D1683 PolarHBondContact CE1-OD2 3.34Å; H1528-D1683 IonicContact ND1-OD1 3.92Å; H1528-D1683 IonicContact ND1-OD2 2.77Å; H1528-D1683 PolarHBondContact ND1-OD2 2.95Å; H1528-D1683 IonicContact NE2-OD1 2.64Å; H1528-D1683 IonicContact NE2-OD2 2.67Å; A1677-D1683 HydrophobicContact CB-CB 3.88Å; A1677-D1683 WeakPolarHBondContact O-CB 3.46Å; A1677-D1683 PolarHBondContact O-N 3.13Å; A1677-D1683 VanDerWaalsContact O-N 3.07Å; T1681-D1683 PolarHBondContact O-N 2.91Å; D1683-Y1685 VanDerWaalsContact C-N 3.29Å; D1683-Y1685 PolarHBondContact O-N 3.42Å; D1683-Y1685 WeakPolarHBondContact OD1-CB 3.48Å; D1683-Y1685 PolarHBondContact OD1-N 2.88Å; D1683-A1686 HydrophobicContact CB-CB 3.91Å; D1683-A1686 PolarHBondContact O-N 2.67Å; D1683-A1686 PolarHBondContact OD1-N 3.09Å; D1683-A1686 VanDerWaalsContact OD1-N 3.11Å; D1683-D1687 PolarHBondContact O-N 3.26Å | ||
| 1684 | V | 78.1 | Confident | 82.4 | Confident | 62 Ų | 62 | 48.5 Ų | 48.5 | 38% | 0.376 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -69.2 | -27.3 | -175.9 | -176.1 | 0 | 0 | 0 | 0 | 112.2 | W1343 Q1682 N1688 | W1343-V1684 HydrophobicContact CH2-CG1 3.6Å; W1343-V1684 HydrophobicContact CZ3-CG1 4.3Å; Q1682-V1684 PolarHBondContact O-N 3.08Å; Q1682-V1684 VanDerWaalsContact O-N 3.15Å; V1684-N1688 PolarHBondContact O-N 2.84Å; V1684-N1688 VanDerWaalsContact O-N 3.16Å; V1684-N1688 PolarHBondContact O-ND2 2.93Å |
| 1685 | Y | 79.6 | Confident | 82.2 | Confident | 45 Ų | 45 | 48.6 Ų | 48.6 | 18% | 0.176 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -77.1 | -40.2 | 177.9 | -59.2 | -67.9 | 0 | 0 | 0 | 110.8 | T1521 S1524 F1525 H1528 D1683 D1687 N1688 Q1689 | T1521-Y1685 PolarHBondContact O-OH 2.81Å; S1524-Y1685 VanDerWaalsContact CB-OH 3.29Å; S1524-Y1685 WeakPolarHBondContact CB-OH 3.45Å; S1524-Y1685 PolarHBondContact OG-OH 3.1Å; F1525-Y1685 HydrophobicContact CB-CD1 4.33Å; F1525-Y1685 HydrophobicContact CB-CE1 3.7Å; F1525-Y1685 AromaticContact CD2-CD1 3.71Å; F1525-Y1685 HydrophobicContact CD2-CD1 3.71Å; F1525-Y1685 AromaticContact CD2-CE1 3.89Å; F1525-Y1685 HydrophobicContact CD2-CE1 3.89Å; F1525-Y1685 HydrophobicContact CG-CE1 4.31Å; F1525-Y1685 PolarHBondContact N-OH 3.47Å; H1528-Y1685 HydrophobicContact CB-CD2 3.9Å; H1528-Y1685 HydrophobicContact CB-CE2 4.33Å; H1528-Y1685 HydrophobicContact CB-CG 4.45Å; H1528-Y1685 VanDerWaalsContact CD2-CB 3.43Å; H1528-Y1685 WeakPolarHBondContact CD2-CB 3.4Å; H1528-Y1685 AromaticContact CG-CD2 3.75Å; D1683-Y1685 VanDerWaalsContact C-N 3.29Å; D1683-Y1685 PolarHBondContact O-N 3.42Å; D1683-Y1685 WeakPolarHBondContact OD1-CB 3.48Å; D1683-Y1685 PolarHBondContact OD1-N 2.88Å; Y1685-D1687 VanDerWaalsContact C-N 3.3Å; Y1685-D1687 PolarHBondContact O-N 2.96Å; Y1685-N1688 PolarHBondContact O-N 3.18Å; Y1685-Q1689 WeakPolarHBondContact O-CG 3.22Å; Y1685-Q1689 PolarHBondContact O-N 3.28Å |
| 1686 | A | 79.3 | Confident | 82.3 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.4 | -38.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | W1674 A1677 V1678 D1683 Q1689 L1690 | W1674-A1686 HydrophobicContact CB-CB 4.22Å; A1677-A1686 HydrophobicContact CB-CB 3.73Å; V1678-A1686 HydrophobicContact CG2-CB 3.78Å; D1683-A1686 HydrophobicContact CB-CB 3.91Å; D1683-A1686 PolarHBondContact O-N 2.67Å; D1683-A1686 PolarHBondContact OD1-N 3.09Å; D1683-A1686 VanDerWaalsContact OD1-N 3.11Å; A1686-Q1689 WeakPolarHBondContact O-CB 3.08Å; A1686-Q1689 PolarHBondContact O-N 2.87Å; A1686-Q1689 VanDerWaalsContact O-N 3.17Å; A1686-L1690 WeakPolarHBondContact O-CG 3.21Å; A1686-L1690 PolarHBondContact O-N 3.01Å |
| 1687 | D | 82.1 | Confident | 82.4 | Confident | 61 Ų | 61 | 41.7 Ų | 41.7 | 33% | 0.326 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63 | -44.6 | 176.1 | -166.1 | 32.9 | 0 | 0 | 0 | 111.2 | V1678 D1683 Y1685 Q1689 L1690 I1691 | V1678-D1687 HydrophobicContact CG1-CB 4.2Å; V1678-D1687 HydrophobicContact CG2-CB 3.66Å; D1683-D1687 PolarHBondContact O-N 3.26Å; Y1685-D1687 VanDerWaalsContact C-N 3.3Å; Y1685-D1687 PolarHBondContact O-N 2.96Å; D1687-Q1689 VanDerWaalsContact C-N 3.3Å; D1687-Q1689 PolarHBondContact O-N 3.1Å; D1687-L1690 PolarHBondContact O-N 3.43Å; D1687-I1691 VanDerWaalsContact O-CG1 3.31Å; D1687-I1691 WeakPolarHBondContact O-CG1 3.48Å; D1687-I1691 PolarHBondContact O-N 3.3Å |
| 1688 | N | 79.8 | Confident | 82.4 | Confident | 37 Ų | 37 | 41.8 Ų | 41.8 | 20% | 0.198 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.3 | -36.6 | 173.3 | -81.4 | -53.5 | 0 | 0 | 0 | 112.9 | I1541 V1684 Y1685 H1692 | I1541-N1688 HydrophobicContact CD1-CB 4.36Å; V1684-N1688 PolarHBondContact O-N 2.84Å; V1684-N1688 VanDerWaalsContact O-N 3.16Å; V1684-N1688 PolarHBondContact O-ND2 2.93Å; Y1685-N1688 PolarHBondContact O-N 3.18Å; N1688-H1692 PolarHBondContact O-CD2 2.84Å; N1688-H1692 PolarHBondContact O-N 3.16Å; N1688-H1692 VanDerWaalsContact O-N 3.07Å |
| 1689 | Q | 83.7 | Confident | 82.5 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.9 | -42.1 | 174.4 | -71.4 | -66.9 | 10.1 | 0 | 0 | 112.5 | M1529 I1541 A1544 W1674 Y1685 A1686 D1687 I1691 H1692 F1693 | M1529-Q1689 HydrophobicContact CE-CG 3.78Å; I1541-Q1689 PolarHBondContact O-NE2 3.44Å; I1541-Q1689 PolarHBondContact O-OE1 3.07Å; A1544-Q1689 VanDerWaalsContact CB-NE2 3.35Å; W1674-Q1689 HydrophobicContact CD2-CB 3.8Å; W1674-Q1689 HydrophobicContact CE3-CB 3.84Å; W1674-Q1689 HydrophobicContact CG-CB 4.34Å; W1674-Q1689 HydrophobicContact CH2-CB 4.19Å; W1674-Q1689 HydrophobicContact CZ2-CB 4.17Å; W1674-Q1689 HydrophobicContact CZ2-CG 4.3Å; W1674-Q1689 HydrophobicContact CZ3-CB 4.03Å; Y1685-Q1689 WeakPolarHBondContact O-CG 3.22Å; Y1685-Q1689 PolarHBondContact O-N 3.28Å; A1686-Q1689 WeakPolarHBondContact O-CB 3.08Å; A1686-Q1689 PolarHBondContact O-N 2.87Å; A1686-Q1689 VanDerWaalsContact O-N 3.17Å; D1687-Q1689 VanDerWaalsContact C-N 3.3Å; D1687-Q1689 PolarHBondContact O-N 3.1Å; Q1689-I1691 VanDerWaalsContact C-N 3.35Å; Q1689-I1691 PolarHBondContact O-N 3.04Å; Q1689-H1692 CarbonylContact O-C 3.58Å; Q1689-H1692 PolarHBondContact O-N 2.91Å; Q1689-F1693 PolarHBondContact O-N 3.47Å |
| 1690 | L | 84.6 | Confident | 82.3 | Confident | 12 Ų | 12 | 38.5 Ų | 38.5 | 6% | 0.063 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.3 | -44.1 | 175.6 | -70.9 | 172.6 | 0 | 0 | 0 | 111.7 | L1612 V1671 W1674 L1675 V1678 A1686 D1687 H1692 F1693 | L1612-L1690 HydrophobicContact CD1-CB 4.3Å; L1612-L1690 HydrophobicContact CD2-CD2 4.07Å; V1671-L1690 HydrophobicContact CG1-CD2 3.8Å; W1674-L1690 HydrophobicContact CB-CD1 4.5Å; W1674-L1690 HydrophobicContact CB-CD2 3.8Å; W1674-L1690 HydrophobicContact CB-CG 3.91Å; W1674-L1690 HydrophobicContact CE3-CD2 4.33Å; L1675-L1690 HydrophobicContact CB-CD1 4.22Å; L1675-L1690 HydrophobicContact CB-CD2 4.44Å; L1675-L1690 HydrophobicContact CD1-CD1 4.1Å; V1678-L1690 HydrophobicContact CB-CD1 4.28Å; V1678-L1690 HydrophobicContact CG2-CD1 3.64Å; A1686-L1690 WeakPolarHBondContact O-CG 3.21Å; A1686-L1690 PolarHBondContact O-N 3.01Å; D1687-L1690 PolarHBondContact O-N 3.43Å; L1690-H1692 PolarHBondContact O-N 3.3Å; L1690-F1693 WeakPolarHBondContact O-CB 3.42Å; L1690-F1693 PolarHBondContact O-N 2.99Å |
| 1691 | I | 82.5 | Confident | 82.1 | Confident | 77 Ų | 77 | 36.1 Ų | 36.1 | 40% | 0.395 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -58.1 | -52.2 | 176.4 | -67.6 | 165.6 | 0 | 0 | 0 | 108.9 | D1687 Q1689 F1693 N1972 | D1687-I1691 VanDerWaalsContact O-CG1 3.31Å; D1687-I1691 WeakPolarHBondContact O-CG1 3.48Å; D1687-I1691 PolarHBondContact O-N 3.3Å; Q1689-I1691 VanDerWaalsContact C-N 3.35Å; Q1689-I1691 PolarHBondContact O-N 3.04Å; I1691-F1693 PolarHBondContact O-N 3.22Å; I1691-N1972 HydrophobicContact CG2-CB 3.83Å; I1691-N1972 PolarHBondContact O-ND2 2.97Å |
| 1692 | H | 85.3 | Confident | 82.8 | Confident | 19 Ų | 19 | 32.2 Ų | 32.2 | 9% | 0.088 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -82.7 | -1.2 | -175.2 | -72.1 | -64.8 | 0 | 0 | 0 | 116 | I1541 L1542 N1688 Q1689 L1690 Y1694 R1695 W1696 N1972 | I1541-H1692 HydrophobicContact CG2-CB 4.01Å; L1542-H1692 HydrophobicContact CD2-CB 4.14Å; N1688-H1692 PolarHBondContact O-CD2 2.84Å; N1688-H1692 PolarHBondContact O-N 3.16Å; N1688-H1692 VanDerWaalsContact O-N 3.07Å; Q1689-H1692 CarbonylContact O-C 3.58Å; Q1689-H1692 PolarHBondContact O-N 2.91Å; L1690-H1692 PolarHBondContact O-N 3.3Å; H1692-Y1694 PolarHBondContact O-N 2.8Å; H1692-R1695 WeakPolarHBondContact O-CA 3.12Å; H1692-R1695 WeakPolarHBondContact O-CB 3.24Å; H1692-R1695 PolarHBondContact O-N 3.37Å; H1692-W1696 PolarHBondContact O-N 2.98Å; H1692-N1972 PolarHBondContact ND1-OD1 2.64Å |
| 1693 | F | 89.1 | Confident | 83.4 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -49.6 | -52.2 | -176.9 | 163.8 | -107.4 | 0 | 0 | 0 | 113.7 | L1612 L1615 L1667 V1671 W1674 Q1689 L1690 I1691 R1695 W1696 L1697 L1713 | L1612-F1693 HydrophobicContact CD2-CB 4.08Å; L1612-F1693 HydrophobicContact CD2-CD1 3.58Å; L1612-F1693 HydrophobicContact CD2-CE1 4.35Å; L1612-F1693 HydrophobicContact CD2-CG 3.99Å; L1612-F1693 HydrophobicContact CG-CD1 4.38Å; L1615-F1693 HydrophobicContact CD2-CE1 4.11Å; L1615-F1693 HydrophobicContact CD2-CE2 4.12Å; L1615-F1693 HydrophobicContact CD2-CZ 3.6Å; L1667-F1693 HydrophobicContact CD1-CE2 3.9Å; L1667-F1693 HydrophobicContact CD2-CZ 4.49Å; L1667-F1693 HydrophobicContact CG-CE2 4.25Å; V1671-F1693 HydrophobicContact CG2-CD2 3.59Å; V1671-F1693 HydrophobicContact CG2-CE2 3.62Å; V1671-F1693 HydrophobicContact CG2-CG 4.19Å; V1671-F1693 HydrophobicContact CG2-CZ 4.24Å; W1674-F1693 HydrophobicContact CZ3-CD2 4.32Å; Q1689-F1693 PolarHBondContact O-N 3.47Å; L1690-F1693 WeakPolarHBondContact O-CB 3.42Å; L1690-F1693 PolarHBondContact O-N 2.99Å; I1691-F1693 PolarHBondContact O-N 3.22Å; F1693-R1695 VanDerWaalsContact C-N 3.27Å; F1693-R1695 PolarHBondContact O-N 3.25Å; F1693-W1696 HydrophobicContact CD2-CE3 4.03Å; F1693-W1696 HydrophobicContact CD2-CZ3 4.13Å; F1693-W1696 HydrophobicContact CE2-CE3 4.28Å; F1693-W1696 HydrophobicContact CE2-CZ3 4.04Å; F1693-W1696 PolarHBondContact O-N 2.72Å; F1693-L1697 HydrophobicContact CZ-CD2 4.07Å; F1693-L1697 PolarHBondContact O-N 3.48Å; F1693-L1713 HydrophobicContact CE1-CD2 3.79Å; F1693-L1713 HydrophobicContact CZ-CD2 3.99Å |
| 1694 | Y | 86.9 | Confident | 84 | Confident | 19 Ų | 19 | 27.6 Ų | 27.6 | 8% | 0.075 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.8 | -26.3 | -176.7 | -172.8 | -111.2 | 0 | 0 | 0 | 113 | L1587 P1611 H1692 G1698 K1710 L1713 N1714 I1717 N1965 I1967 | L1587-Y1694 WeakPolarHBondContact CD1-OH 3.36Å; P1611-Y1694 HydrophobicContact CB-CD2 3.4Å; P1611-Y1694 VanDerWaalsContact CB-CD2 3.4Å; P1611-Y1694 HydrophobicContact CB-CE2 4.01Å; P1611-Y1694 HydrophobicContact CB-CG 3.82Å; P1611-Y1694 HydrophobicContact CG-CD1 4.07Å; P1611-Y1694 HydrophobicContact CG-CD2 3.51Å; P1611-Y1694 HydrophobicContact CG-CE1 4.43Å; P1611-Y1694 HydrophobicContact CG-CE2 3.88Å; P1611-Y1694 HydrophobicContact CG-CG 3.59Å; H1692-Y1694 PolarHBondContact O-N 2.8Å; Y1694-G1698 PolarHBondContact O-N 3.39Å; Y1694-K1710 HydrophobicContact CE2-CD 4.37Å; Y1694-K1710 PolarHBondContact O-NZ 3.35Å; Y1694-K1710 PolarHBondContact OH-NZ 2.91Å; Y1694-L1713 HydrophobicContact CD2-CD2 4.15Å; Y1694-L1713 HydrophobicContact CE2-CD2 4.42Å; Y1694-N1714 PolarHBondContact OH-OD1 3.3Å; Y1694-I1717 HydrophobicContact CD2-CD1 4.47Å; Y1694-I1717 HydrophobicContact CE2-CD1 3.72Å; Y1694-N1965 PolarHBondContact OH-ND2 2.87Å; Y1694-I1967 HydrophobicContact CD1-CD1 3.85Å; Y1694-I1967 HydrophobicContact CE1-CD1 4.33Å |
| 1695 | R | 86 | Confident | 84.5 | Confident | 21 Ų | 21 | 26.3 Ų | 26.3 | 8% | 0.079 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69.4 | -50.4 | 172.6 | -179.6 | -179.5 | 165.9 | -156.1 | -11.5 | 109.9 | E1539 L1542 H1692 F1693 L1697 G1698 S1699 I1967 K1969 | E1539-R1695 IonicContact OE1-NH2 2.98Å; E1539-R1695 IonicContact OE2-CZ 3.83Å; E1539-R1695 IonicContact OE2-NH1 3.82Å; E1539-R1695 IonicContact OE2-NH2 3.49Å; E1539-R1695 PolarHBondContact OE2-NH2 3.06Å; L1542-R1695 HydrophobicContact CD2-CG 4.27Å; H1692-R1695 WeakPolarHBondContact O-CA 3.12Å; H1692-R1695 WeakPolarHBondContact O-CB 3.24Å; H1692-R1695 PolarHBondContact O-N 3.37Å; F1693-R1695 VanDerWaalsContact C-N 3.27Å; F1693-R1695 PolarHBondContact O-N 3.25Å; R1695-L1697 PolarHBondContact O-N 3.41Å; R1695-G1698 CarbonylContact O-C 3.52Å; R1695-G1698 PolarHBondContact O-N 2.82Å; R1695-S1699 WeakPolarHBondContact O-CB 3.23Å; R1695-S1699 PolarHBondContact O-N 2.87Å; R1695-S1699 PolarHBondContact O-OG 3.47Å; R1695-S1699 VanDerWaalsContact O-OG 3.06Å; R1695-I1967 HydrophobicContact CB-CD1 3.99Å; R1695-I1967 HydrophobicContact CB-CG2 4.23Å; R1695-I1967 HydrophobicContact CG-CD1 4.47Å; R1695-I1967 HydrophobicContact CG-CG2 4.35Å; R1695-K1969 PolarHBondContact NH1-O 2.8Å |
| 1696 | W | 90.5 | Very high | 84.9 | Confident | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.015 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -55.3 | -53 | 176.5 | 164.8 | 70 | 0 | 0 | 0 | 111.8 | L1542 A1545 D1546 Y1549 L1667 M1670 H1692 F1693 G1698 S1699 | L1542-W1696 HydrophobicContact CD2-CB 3.89Å; L1542-W1696 VanDerWaalsContact O-CD1 3.31Å; A1545-W1696 HydrophobicContact CB-CB 4.29Å; A1545-W1696 HydrophobicContact CB-CD2 3.56Å; A1545-W1696 HydrophobicContact CB-CE3 4.12Å; A1545-W1696 HydrophobicContact CB-CG 3.59Å; A1545-W1696 HydrophobicContact CB-CZ2 4.36Å; D1546-W1696 PolarHBondContact OD1-NE1 3.12Å; Y1549-W1696 AromaticContact CD1-CH2 3.55Å; Y1549-W1696 HydrophobicContact CD1-CH2 3.55Å; Y1549-W1696 AromaticContact CD1-CZ2 3.75Å; Y1549-W1696 HydrophobicContact CD1-CZ2 3.75Å; Y1549-W1696 HydrophobicContact CE1-CH2 4.26Å; Y1549-W1696 AromaticContact CG-CH2 3.75Å; Y1549-W1696 HydrophobicContact CG-CH2 3.75Å; Y1549-W1696 HydrophobicContact CG-CZ2 4.11Å; L1667-W1696 HydrophobicContact CD1-CH2 3.74Å; L1667-W1696 HydrophobicContact CD1-CZ3 3.55Å; M1670-W1696 HydrophobicContact CE-CH2 3.72Å; M1670-W1696 HydrophobicContact CE-CZ3 3.7Å; H1692-W1696 PolarHBondContact O-N 2.98Å; F1693-W1696 HydrophobicContact CD2-CE3 4.03Å; F1693-W1696 HydrophobicContact CD2-CZ3 4.13Å; F1693-W1696 HydrophobicContact CE2-CE3 4.28Å; F1693-W1696 HydrophobicContact CE2-CZ3 4.04Å; F1693-W1696 PolarHBondContact O-N 2.72Å; W1696-G1698 PolarHBondContact O-N 2.81Å; W1696-G1698 VanDerWaalsContact O-N 3.09Å; W1696-S1699 PolarHBondContact O-N 3.04Å; W1696-S1699 VanDerWaalsContact O-N 3.11Å |
| 1697 | L | 87.5 | Confident | 84.9 | Confident | 6 Ų | 6 | 24.8 Ų | 24.8 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61 | -25.2 | -179.2 | -170.2 | 69.3 | 0 | 0 | 0 | 113.4 | L1667 F1693 R1695 L1709 K1710 L1713 | L1667-L1697 HydrophobicContact CD2-CD1 4.16Å; L1667-L1697 HydrophobicContact CD2-CD2 4.5Å; F1693-L1697 HydrophobicContact CZ-CD2 4.07Å; F1693-L1697 PolarHBondContact O-N 3.48Å; R1695-L1697 PolarHBondContact O-N 3.41Å; L1697-L1709 HydrophobicContact CD1-CB 4.17Å; L1697-K1710 HydrophobicContact CD2-CD 4.21Å; L1697-K1710 HydrophobicContact CG-CD 4.2Å; L1697-L1713 HydrophobicContact CD2-CB 4.23Å; L1697-L1713 HydrophobicContact CD2-CD2 3.49Å; L1697-L1713 VanDerWaalsContact CD2-CD2 3.49Å |
| 1698 | G | 81.3 | Confident | 84.7 | Confident | 23 Ų | 23 | 22 Ų | 22 | 24% | 0.237 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -99.8 | -0.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y1694 R1695 W1696 | Y1694-G1698 PolarHBondContact O-N 3.39Å; R1695-G1698 CarbonylContact O-C 3.52Å; R1695-G1698 PolarHBondContact O-N 2.82Å; W1696-G1698 PolarHBondContact O-N 2.81Å; W1696-G1698 VanDerWaalsContact O-N 3.09Å |
| 1699 | S | 82.5 | Confident | 85 | Confident | 26 Ų | 26 | 20.2 Ų | 20.2 | 18% | 0.182 | 12% | 0.118 | C | C | . | . | trans | -92.1 | 108.3 | -175.2 | -86.2 | 0 | 0 | 0 | 0 | 110.5 | R1695 W1696 S1701 M1702 | R1695-S1699 WeakPolarHBondContact O-CB 3.23Å; R1695-S1699 PolarHBondContact O-N 2.87Å; R1695-S1699 PolarHBondContact O-OG 3.47Å; R1695-S1699 VanDerWaalsContact O-OG 3.06Å; W1696-S1699 PolarHBondContact O-N 3.04Å; W1696-S1699 VanDerWaalsContact O-N 3.11Å; S1699-S1701 PolarHBondContact O-N 3.07Å; S1699-M1702 WeakPolarHBondContact O-CB 3.4Å; S1699-M1702 WeakPolarHBondContact O-CG 3.18Å; S1699-M1702 PolarHBondContact O-N 3.03Å | ||
| 1700 | S | 77.6 | Confident | 85.1 | Confident | 33 Ų | 33 | 21.3 Ų | 21.3 | 23% | 0.231 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -5.7 | 179.5 | 65.4 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1701 | S | 78.8 | Confident | 84.8 | Confident | 86 Ų | 86 | 22 Ų | 22 | 60% | 0.601 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -7.5 | 173.1 | 62.1 | 0 | 0 | 0 | 0 | 113 | S1699 | S1699-S1701 PolarHBondContact O-N 3.07Š|
| 1702 | M | 88.6 | Confident | 84.8 | Confident | 16 Ų | 16 | 18.3 Ų | 18.3 | 8% | 0.079 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -81.5 | 142.7 | 176.6 | -62.4 | -60.6 | 107.6 | 0 | 0 | 109.6 | L1542 S1699 L1704 Y1705 | L1542-M1702 HydrophobicContact CB-CE 3.96Å; L1542-M1702 HydrophobicContact CB-SD 3.36Å; L1542-M1702 WeakPolarHBondContact CB-SD 3.38Å; L1542-M1702 HydrophobicContact CD1-CE 3.92Å; L1542-M1702 HydrophobicContact CD1-SD 4.22Å; L1542-M1702 HydrophobicContact CG-SD 4.41Å; S1699-M1702 WeakPolarHBondContact O-CB 3.4Å; S1699-M1702 WeakPolarHBondContact O-CG 3.18Å; S1699-M1702 PolarHBondContact O-N 3.03Å; M1702-L1704 VanDerWaalsContact C-N 3.32Å; M1702-L1704 PolarHBondContact O-N 3.19Å; M1702-Y1705 VanDerWaalsContact O-CB 3.28Å; M1702-Y1705 WeakPolarHBondContact O-CB 3.47Å; M1702-Y1705 PolarHBondContact O-N 2.92Å |
| 1703 | L | 89.3 | Confident | 84.9 | Confident | 26 Ų | 26 | 17.4 Ų | 17.4 | 14% | 0.136 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -40.8 | -173.8 | -68.6 | 173.9 | 0 | 0 | 0 | 111.1 | P1281 F1284 D1546 C1562 S1563 Y1705 | P1281-L1703 HydrophobicContact CG-CD1 4.38Å; P1281-L1703 HydrophobicContact CG-CD2 4.08Å; F1284-L1703 HydrophobicContact CB-CD1 4.02Å; F1284-L1703 HydrophobicContact CD1-CD1 4.19Å; F1284-L1703 HydrophobicContact CD2-CD1 3.47Å; F1284-L1703 VanDerWaalsContact CD2-CD1 3.47Å; F1284-L1703 HydrophobicContact CE2-CD1 3.88Å; F1284-L1703 HydrophobicContact CG-CD1 3.63Å; F1284-L1703 HydrophobicContact CZ-CD1 4.39Å; D1546-L1703 PolarHBondContact OD2-N 3.48Å; C1562-L1703 CarbonylContact C-O 3.57Å; C1562-L1703 WeakPolarHBondContact CA-O 3.42Å; C1562-L1703 HydrophobicContact CB-CB 4.2Å; S1563-L1703 PolarHBondContact N-O 2.92Å; L1703-Y1705 VanDerWaalsContact C-N 3.3Å; L1703-Y1705 PolarHBondContact O-N 3.03Å |
| 1704 | L | 91.5 | Very high | 84.7 | Confident | 5 Ų | 5 | 18.3 Ų | 18.3 | 3% | 0.026 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 21.8 | -179.6 | -70.1 | 173.5 | 0 | 0 | 0 | 113.6 | D1546 Y1549 A1550 L1553 L1560 W1561 C1562 M1702 D1706 | D1546-L1704 WeakPolarHBondContact O-CD1 3.38Å; D1546-L1704 WeakPolarHBondContact OD1-CB 3.42Å; D1546-L1704 PolarHBondContact OD1-N 2.98Å; Y1549-L1704 HydrophobicContact CD1-CB 4.39Å; Y1549-L1704 HydrophobicContact CD1-CD1 3.77Å; Y1549-L1704 HydrophobicContact CG-CD1 4.34Å; A1550-L1704 HydrophobicContact CB-CD1 3.91Å; L1553-L1704 HydrophobicContact CD1-CD1 4.22Å; L1553-L1704 HydrophobicContact CD1-CD2 4.37Å; L1560-L1704 HydrophobicContact CB-CD2 4.39Å; L1560-L1704 HydrophobicContact CD2-CD2 4.38Å; W1561-L1704 HydrophobicContact CD2-CD2 4.45Å; W1561-L1704 PolarHBondContact NE1-O 3.36Å; C1562-L1704 WeakPolarHBondContact SG-CD2 3.35Å; M1702-L1704 VanDerWaalsContact C-N 3.32Å; M1702-L1704 PolarHBondContact O-N 3.19Å; L1704-D1706 PolarHBondContact O-N 3.31Å; L1704-D1706 VanDerWaalsContact O-N 3.15Å |
| 1705 | Y | 89 | Confident | 84.3 | Confident | 34 Ų | 34 | 18 Ų | 18 | 13% | 0.133 | 11% | 0.108 | C | C | . | . | trans | -57.8 | 119.7 | 175 | 174.4 | -113 | 0 | 0 | 0 | 111.2 | M1702 L1703 P1707 | M1702-Y1705 VanDerWaalsContact O-CB 3.28Å; M1702-Y1705 WeakPolarHBondContact O-CB 3.47Å; M1702-Y1705 PolarHBondContact O-N 2.92Å; L1703-Y1705 VanDerWaalsContact C-N 3.3Å; L1703-Y1705 PolarHBondContact O-N 3.03Å; Y1705-P1707 HydrophobicContact CD1-CG 4.29Å; Y1705-P1707 HydrophobicContact CE1-CG 3.54Å | ||
| 1706 | D | 86.4 | Confident | 84.3 | Confident | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | trans | -129.3 | 109.3 | 176.2 | -173.8 | -11.4 | 0 | 0 | 0 | 110.2 | H1239 L1704 A1708 L1709 K1710 | H1239-D1706 IonicContact CD2-OD2 2.62Å; H1239-D1706 PolarHBondContact CD2-OD2 3.4Å; H1239-D1706 IonicContact CE1-OD1 3.75Å; H1239-D1706 IonicContact CE1-OD2 3.25Å; H1239-D1706 IonicContact NE2-OD1 2.68Å; H1239-D1706 PolarHBondContact NE2-OD1 3.25Å; H1239-D1706 IonicContact NE2-OD2 2.65Å; H1239-D1706 PolarHBondContact NE2-OD2 2.95Å; L1704-D1706 PolarHBondContact O-N 3.31Å; L1704-D1706 VanDerWaalsContact O-N 3.15Å; D1706-A1708 PolarHBondContact O-N 3.39Å; D1706-A1708 VanDerWaalsContact OD1-CB 3.27Å; D1706-A1708 WeakPolarHBondContact OD1-CB 3.39Å; D1706-A1708 PolarHBondContact OD1-N 2.99Å; D1706-L1709 HydrophobicContact CB-CB 4.13Å; D1706-L1709 HydrophobicContact CB-CD1 3.93Å; D1706-L1709 HydrophobicContact CB-CG 3.95Å; D1706-L1709 PolarHBondContact O-N 3.41Å; D1706-K1710 PolarHBondContact O-N 3.04Å; D1706-K1710 VanDerWaalsContact O-N 3.1Å | ||
| 1707 | P | 79.3 | Confident | 84.1 | Confident | 13 Ų | 13 | 17 Ų | 17 | 8% | 0.084 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.8 | -30.1 | 175.8 | -28.6 | 39.4 | 0 | 0 | 0 | 113.7 | L1580 Y1705 K1710 Q1711 | L1580-P1707 HydrophobicContact CD2-CB 3.82Å; L1580-P1707 HydrophobicContact CD2-CG 3.44Å; L1580-P1707 VanDerWaalsContact CD2-CG 3.44Å; Y1705-P1707 HydrophobicContact CD1-CG 4.29Å; Y1705-P1707 HydrophobicContact CE1-CG 3.54Å; P1707-K1710 PolarHBondContact O-N 3.48Å; P1707-Q1711 WeakPolarHBondContact O-CB 3.43Å; P1707-Q1711 WeakPolarHBondContact O-CG 3.34Å; P1707-Q1711 PolarHBondContact O-N 2.91Å |
| 1708 | A | 78.5 | Confident | 83.8 | Confident | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.008 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -70.3 | -43.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1658 D1706 K1710 Q1711 A1712 | I1658-A1708 HydrophobicContact CD1-CB 4.26Å; I1658-A1708 HydrophobicContact CG1-CB 4.32Å; D1706-A1708 PolarHBondContact O-N 3.39Å; D1706-A1708 VanDerWaalsContact OD1-CB 3.27Å; D1706-A1708 WeakPolarHBondContact OD1-CB 3.39Å; D1706-A1708 PolarHBondContact OD1-N 2.99Å; A1708-K1710 VanDerWaalsContact C-N 3.29Å; A1708-K1710 PolarHBondContact O-N 3.34Å; A1708-Q1711 PolarHBondContact O-N 2.77Å; A1708-A1712 VanDerWaalsContact O-CB 3.3Å; A1708-A1712 WeakPolarHBondContact O-CB 3.47Å; A1708-A1712 PolarHBondContact O-N 3.47Å |
| 1709 | L | 86.5 | Confident | 83.9 | Confident | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.5 | -40.7 | 172.9 | -68.3 | 178.4 | 0 | 0 | 0 | 111.1 | Y1549 W1561 I1658 F1664 L1697 D1706 L1713 | Y1549-L1709 HydrophobicContact CE1-CD1 4.22Å; W1561-L1709 HydrophobicContact CH2-CD1 4.38Å; W1561-L1709 HydrophobicContact CZ2-CD1 3.76Å; I1658-L1709 HydrophobicContact CG2-CD2 3.92Å; F1664-L1709 HydrophobicContact CB-CD2 4.15Å; F1664-L1709 HydrophobicContact CD2-CD2 3.89Å; L1697-L1709 HydrophobicContact CD1-CB 4.17Å; D1706-L1709 HydrophobicContact CB-CB 4.13Å; D1706-L1709 HydrophobicContact CB-CD1 3.93Å; D1706-L1709 HydrophobicContact CB-CG 3.95Å; D1706-L1709 PolarHBondContact O-N 3.41Å; L1709-L1713 PolarHBondContact O-N 2.95Å |
| 1710 | K | 85 | Confident | 84.1 | Confident | 24 Ų | 24 | 17.1 Ų | 17.1 | 10% | 0.104 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.5 | -46 | 175.9 | -177.8 | 62.2 | 174.5 | -160.8 | 0 | 111.9 | Y1694 L1697 D1706 P1707 A1708 L1713 N1714 | Y1694-K1710 HydrophobicContact CE2-CD 4.37Å; Y1694-K1710 PolarHBondContact O-NZ 3.35Å; Y1694-K1710 PolarHBondContact OH-NZ 2.91Å; L1697-K1710 HydrophobicContact CD2-CD 4.21Å; L1697-K1710 HydrophobicContact CG-CD 4.2Å; D1706-K1710 PolarHBondContact O-N 3.04Å; D1706-K1710 VanDerWaalsContact O-N 3.1Å; P1707-K1710 PolarHBondContact O-N 3.48Å; A1708-K1710 VanDerWaalsContact C-N 3.29Å; A1708-K1710 PolarHBondContact O-N 3.34Å; K1710-L1713 PolarHBondContact O-N 3.09Å; K1710-N1714 WeakPolarHBondContact O-CB 3.35Å; K1710-N1714 PolarHBondContact O-N 3.27Å; K1710-N1714 PolarHBondContact O-OD1 2.94Å |
| 1711 | Q | 78.5 | Confident | 84.6 | Confident | 26 Ų | 26 | 15.7 Ų | 15.7 | 12% | 0.121 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -66.8 | -38.9 | 178.4 | -79.7 | -179.4 | 1.5 | 0 | 0 | 112.5 | R1579 A1582 P1707 A1708 N1714 S1715 | R1579-Q1711 VanDerWaalsContact CB-OE1 3.31Å; R1579-Q1711 PolarHBondContact O-NE2 3.3Å; A1582-Q1711 PolarHBondContact O-NE2 3.01Å; P1707-Q1711 WeakPolarHBondContact O-CB 3.43Å; P1707-Q1711 WeakPolarHBondContact O-CG 3.34Å; P1707-Q1711 PolarHBondContact O-N 2.91Å; A1708-Q1711 PolarHBondContact O-N 2.77Å; Q1711-N1714 PolarHBondContact O-N 2.95Å; Q1711-S1715 WeakPolarHBondContact O-CB 3.48Å; Q1711-S1715 PolarHBondContact O-N 2.91Å; Q1711-S1715 PolarHBondContact O-OG 2.9Å |
| 1712 | A | 82.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -59.4 | -48.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | I1658 V1659 F1664 A1708 N1714 S1715 L1716 | I1658-A1712 HydrophobicContact CB-CB 4Å; I1658-A1712 HydrophobicContact CG2-CB 3.66Å; V1659-A1712 HydrophobicContact CG2-CB 3.97Å; F1664-A1712 HydrophobicContact CD2-CB 4.31Å; F1664-A1712 HydrophobicContact CE2-CB 4.01Å; A1708-A1712 VanDerWaalsContact O-CB 3.3Å; A1708-A1712 WeakPolarHBondContact O-CB 3.47Å; A1708-A1712 PolarHBondContact O-N 3.47Å; A1712-N1714 PolarHBondContact O-N 2.91Å; A1712-S1715 WeakPolarHBondContact O-CB 3.41Å; A1712-S1715 PolarHBondContact O-N 3.42Å; A1712-L1716 WeakPolarHBondContact O-CG 3.29Å; A1712-L1716 PolarHBondContact O-N 2.88Å; A1712-L1716 VanDerWaalsContact O-N 3.08Å |
| 1713 | L | 87.7 | Confident | 84.7 | Confident | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -63.5 | -42.7 | 174.8 | -176.8 | 62.3 | 0 | 0 | 0 | 112.1 | P1611 A1614 L1615 F1693 Y1694 L1697 L1709 K1710 S1715 L1716 I1717 | P1611-L1713 HydrophobicContact CB-CD2 4.31Å; A1614-L1713 HydrophobicContact CB-CD1 4.08Å; L1615-L1713 HydrophobicContact CB-CD1 3.85Å; L1615-L1713 HydrophobicContact CD1-CD1 4.48Å; F1693-L1713 HydrophobicContact CE1-CD2 3.79Å; F1693-L1713 HydrophobicContact CZ-CD2 3.99Å; Y1694-L1713 HydrophobicContact CD2-CD2 4.15Å; Y1694-L1713 HydrophobicContact CE2-CD2 4.42Å; L1697-L1713 HydrophobicContact CD2-CB 4.23Å; L1697-L1713 HydrophobicContact CD2-CD2 3.49Å; L1697-L1713 VanDerWaalsContact CD2-CD2 3.49Å; L1709-L1713 PolarHBondContact O-N 2.95Å; K1710-L1713 PolarHBondContact O-N 3.09Å; L1713-S1715 VanDerWaalsContact C-N 3.27Å; L1713-S1715 PolarHBondContact O-N 3.27Å; L1713-L1716 WeakPolarHBondContact O-CB 3.45Å; L1713-L1716 PolarHBondContact O-N 3.48Å; L1713-L1716 VanDerWaalsContact O-N 3.16Å; L1713-I1717 HydrophobicContact CD2-CD1 4.49Å; L1713-I1717 HydrophobicContact CG-CD1 4Å; L1713-I1717 HydrophobicContact CG-CG1 4.38Å; L1713-I1717 VanDerWaalsContact O-CG1 3.29Å; L1713-I1717 WeakPolarHBondContact O-CG1 3.45Å; L1713-I1717 PolarHBondContact O-N 3.34Å |
| 1714 | N | 84.2 | Confident | 84.6 | Confident | 20 Ų | 20 | 11.7 Ų | 11.7 | 11% | 0.107 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -60.9 | -36.9 | 176.8 | -71.5 | -8.6 | 0 | 0 | 0 | 111.9 | L1587 Y1694 K1710 Q1711 A1712 I1717 K1718 | L1587-N1714 HydrophobicContact CD1-CB 3.88Å; L1587-N1714 VanDerWaalsContact CD1-CG 3.44Å; L1587-N1714 WeakPolarHBondContact CD1-OD1 3.26Å; L1587-N1714 HydrophobicContact CD2-CB 4.28Å; L1587-N1714 HydrophobicContact CG-CB 4.04Å; Y1694-N1714 PolarHBondContact OH-OD1 3.3Å; K1710-N1714 WeakPolarHBondContact O-CB 3.35Å; K1710-N1714 PolarHBondContact O-N 3.27Å; K1710-N1714 PolarHBondContact O-OD1 2.94Å; Q1711-N1714 PolarHBondContact O-N 2.95Å; A1712-N1714 PolarHBondContact O-N 2.91Å; N1714-I1717 PolarHBondContact O-N 2.97Å; N1714-K1718 WeakPolarHBondContact O-CB 3.29Å; N1714-K1718 PolarHBondContact O-N 2.96Å |
| 1715 | S | 79 | Confident | 84.3 | Confident | 11 Ų | 11 | 11.5 Ų | 11.5 | 8% | 0.077 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -64 | -42.9 | 174.9 | -59.8 | 0 | 0 | 0 | 0 | 111.1 | N1655 Q1711 A1712 L1713 K1718 K1719 | N1655-S1715 PolarHBondContact ND2-OG 3.1Å; Q1711-S1715 WeakPolarHBondContact O-CB 3.48Å; Q1711-S1715 PolarHBondContact O-N 2.91Å; Q1711-S1715 PolarHBondContact O-OG 2.9Å; A1712-S1715 WeakPolarHBondContact O-CB 3.41Å; A1712-S1715 PolarHBondContact O-N 3.42Å; L1713-S1715 VanDerWaalsContact C-N 3.27Å; L1713-S1715 PolarHBondContact O-N 3.27Å; S1715-K1718 PolarHBondContact O-N 3.49Å; S1715-K1719 WeakPolarHBondContact O-CG 3.28Å; S1715-K1719 PolarHBondContact O-N 3.15Å |
| 1716 | L | 86.1 | Confident | 84 | Confident | 4 Ų | 4 | 10.3 Ų | 10.3 | 2% | 0.021 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -64.6 | -41.8 | 173.4 | -66.1 | 173.2 | 0 | 0 | 0 | 112.2 | A1614 I1621 V1622 V1659 F1664 A1712 L1713 K1718 K1719 L1720 | A1614-L1716 HydrophobicContact CB-CB 4.13Å; I1621-L1716 HydrophobicContact CB-CD2 4.22Å; I1621-L1716 HydrophobicContact CG2-CD2 3.83Å; V1622-L1716 HydrophobicContact CG2-CD2 3.9Å; V1659-L1716 HydrophobicContact CG1-CD1 4.26Å; V1659-L1716 HydrophobicContact CG2-CD1 4.07Å; V1659-L1716 HydrophobicContact CG2-CD2 4.46Å; V1659-L1716 HydrophobicContact CG2-CG 4.26Å; F1664-L1716 HydrophobicContact CE1-CD1 4.11Å; F1664-L1716 HydrophobicContact CZ-CD1 3.62Å; A1712-L1716 WeakPolarHBondContact O-CG 3.29Å; A1712-L1716 PolarHBondContact O-N 2.88Å; A1712-L1716 VanDerWaalsContact O-N 3.08Å; L1713-L1716 WeakPolarHBondContact O-CB 3.45Å; L1713-L1716 PolarHBondContact O-N 3.48Å; L1713-L1716 VanDerWaalsContact O-N 3.16Å; L1716-K1718 VanDerWaalsContact C-N 3.31Å; L1716-K1718 PolarHBondContact O-N 3.42Å; L1716-K1719 PolarHBondContact O-N 3.31Å; L1716-L1720 WeakPolarHBondContact O-CB 3.44Å; L1716-L1720 PolarHBondContact O-N 3.34Å |
| 1717 | I | 86.8 | Confident | 84 | Confident | 1 Ų | 1 | 10.2 Ų | 10.2 | 1% | 0.005 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -58.8 | -44.9 | 174.9 | -69.8 | 166.2 | 0 | 0 | 0 | 110.2 | L1587 F1610 P1611 A1614 Y1694 L1713 N1714 L1720 F1721 L1740 | L1587-I1717 HydrophobicContact CD2-CG2 4.32Å; F1610-I1717 HydrophobicContact CD1-CG2 4.3Å; P1611-I1717 HydrophobicContact CB-CD1 3.93Å; P1611-I1717 HydrophobicContact CG-CD1 3.96Å; A1614-I1717 HydrophobicContact CB-CB 4.44Å; A1614-I1717 HydrophobicContact CB-CG1 3.64Å; Y1694-I1717 HydrophobicContact CD2-CD1 4.47Å; Y1694-I1717 HydrophobicContact CE2-CD1 3.72Å; L1713-I1717 HydrophobicContact CD2-CD1 4.49Å; L1713-I1717 HydrophobicContact CG-CD1 4Å; L1713-I1717 HydrophobicContact CG-CG1 4.38Å; L1713-I1717 VanDerWaalsContact O-CG1 3.29Å; L1713-I1717 WeakPolarHBondContact O-CG1 3.45Å; L1713-I1717 PolarHBondContact O-N 3.34Å; N1714-I1717 PolarHBondContact O-N 2.97Å; I1717-L1720 PolarHBondContact O-N 3.33Å; I1717-F1721 WeakPolarHBondContact O-CB 3.23Å; I1717-F1721 PolarHBondContact O-N 2.92Å; I1717-L1740 HydrophobicContact CG2-CD1 4.02Å; I1717-L1740 HydrophobicContact CG2-CD2 3.52Å; I1717-L1740 HydrophobicContact CG2-CG 4.4Å |
| 1718 | K | 81.2 | Confident | 84.4 | Confident | 30 Ų | 30 | 9.7 Ų | 9.7 | 13% | 0.13 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -63.4 | -44.7 | 177.6 | -177.7 | 165.7 | 179.7 | -168.7 | 0 | 111.8 | D1586 L1587 V1590 Y1652 N1714 S1715 L1716 F1721 L1722 | D1586-K1718 IonicContact OD1-NZ 3.59Å; D1586-K1718 PolarHBondContact OD1-NZ 2.83Å; D1586-K1718 IonicContact OD2-NZ 3.17Å; D1586-K1718 PolarHBondContact OD2-NZ 2.71Å; L1587-K1718 HydrophobicContact CD2-CB 4.37Å; V1590-K1718 HydrophobicContact CG2-CB 4Å; V1590-K1718 HydrophobicContact CG2-CD 3.55Å; V1590-K1718 HydrophobicContact CG2-CG 3.54Å; Y1652-K1718 WeakPolarHBondContact OH-CD 3.34Å; Y1652-K1718 WeakPolarHBondContact OH-CE 3.2Å; Y1652-K1718 PolarHBondContact OH-NZ 2.99Å; N1714-K1718 WeakPolarHBondContact O-CB 3.29Å; N1714-K1718 PolarHBondContact O-N 2.96Å; S1715-K1718 PolarHBondContact O-N 3.49Å; L1716-K1718 VanDerWaalsContact C-N 3.31Å; L1716-K1718 PolarHBondContact O-N 3.42Å; K1718-F1721 PolarHBondContact O-N 3.49Å; K1718-L1722 HydrophobicContact CG-CD1 4.46Å; K1718-L1722 WeakPolarHBondContact O-CG 3.47Å; K1718-L1722 PolarHBondContact O-N 3.15Å |
| 1719 | K | 83.1 | Confident | 84.6 | Confident | 28 Ų | 28 | 12.2 Ų | 12.2 | 12% | 0.122 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -59.5 | -48.9 | 173.4 | -74.1 | -172 | 179.2 | -167.1 | 0 | 111 | I1621 N1625 E1656 S1715 L1716 F1721 L1722 M1723 | I1621-K1719 HydrophobicContact CG2-CB 3.56Å; I1621-K1719 HydrophobicContact CG2-CD 4.04Å; I1621-K1719 HydrophobicContact CG2-CG 4.44Å; N1625-K1719 PolarHBondContact OD1-NZ 3.34Å; E1656-K1719 IonicContact OE1-NZ 2.72Å; E1656-K1719 PolarHBondContact OE1-NZ 3.44Å; S1715-K1719 WeakPolarHBondContact O-CG 3.28Å; S1715-K1719 PolarHBondContact O-N 3.15Å; L1716-K1719 PolarHBondContact O-N 3.31Å; K1719-F1721 VanDerWaalsContact C-N 3.33Å; K1719-F1721 PolarHBondContact O-N 3.14Å; K1719-L1722 PolarHBondContact O-N 2.92Å; K1719-M1723 VanDerWaalsContact O-CG 3.26Å; K1719-M1723 WeakPolarHBondContact O-CG 3.49Å; K1719-M1723 PolarHBondContact O-N 3.14Å |
| 1720 | L | 87.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.6 | -39.2 | 179.2 | -171.8 | 62.6 | 0 | 0 | 0 | 112.6 | F1610 A1613 A1614 I1621 L1716 I1717 M1723 M1724 E1771 F1772 I1775 | F1610-L1720 HydrophobicContact CD1-CD2 4.01Å; F1610-L1720 HydrophobicContact CD1-CG 4.36Å; F1610-L1720 HydrophobicContact CE1-CB 4.34Å; F1610-L1720 HydrophobicContact CE1-CD2 4.25Å; F1610-L1720 HydrophobicContact CE1-CG 4.1Å; A1613-L1720 HydrophobicContact CB-CD2 4.04Å; A1614-L1720 HydrophobicContact CB-CD2 4.01Å; I1621-L1720 HydrophobicContact CD1-CB 4.04Å; I1621-L1720 HydrophobicContact CD1-CD1 4.04Å; I1621-L1720 HydrophobicContact CD1-CD2 4.18Å; I1621-L1720 HydrophobicContact CD1-CG 4.33Å; I1621-L1720 HydrophobicContact CG1-CD1 4.1Å; L1716-L1720 WeakPolarHBondContact O-CB 3.44Å; L1716-L1720 PolarHBondContact O-N 3.34Å; I1717-L1720 PolarHBondContact O-N 3.33Å; L1720-M1723 HydrophobicContact CD1-CE 4.42Å; L1720-M1723 PolarHBondContact O-N 3.07Å; L1720-M1724 PolarHBondContact O-N 3.27Å; L1720-E1771 HydrophobicContact CD1-CB 4.28Å; L1720-F1772 HydrophobicContact CD1-CD1 3.74Å; L1720-F1772 HydrophobicContact CD1-CE1 3.57Å; L1720-F1772 HydrophobicContact CG-CD1 4.47Å; L1720-F1772 HydrophobicContact CG-CE1 4.35Å; L1720-I1775 HydrophobicContact CD2-CD1 3.93Å; L1720-I1775 HydrophobicContact CG-CD1 4.23Å |
| 1721 | F | 87 | Confident | 84.5 | Confident | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.009 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64 | -45.1 | 174.7 | 174.4 | -88.3 | 0 | 0 | 0 | 112.1 | V1590 V1592 F1610 I1717 K1718 K1719 M1723 M1724 T1725 A1738 L1740 | V1590-F1721 HydrophobicContact CG1-CB 3.89Å; V1590-F1721 HydrophobicContact CG1-CD1 3.19Å; V1590-F1721 HydrophobicContact CG1-CD2 4.06Å; V1590-F1721 HydrophobicContact CG1-CE1 3.61Å; V1590-F1721 HydrophobicContact CG1-CE2 4.41Å; V1590-F1721 HydrophobicContact CG1-CG 3.44Å; V1590-F1721 VanDerWaalsContact CG1-CG 3.44Å; V1590-F1721 HydrophobicContact CG1-CZ 4.19Å; V1592-F1721 HydrophobicContact CG2-CE1 4.01Å; V1592-F1721 HydrophobicContact CG2-CZ 4.12Å; F1610-F1721 HydrophobicContact CE1-CB 3.99Å; F1610-F1721 HydrophobicContact CE2-CD2 4.39Å; F1610-F1721 HydrophobicContact CZ-CB 3.97Å; F1610-F1721 AromaticContact CZ-CD2 3.85Å; F1610-F1721 HydrophobicContact CZ-CD2 3.85Å; F1610-F1721 HydrophobicContact CZ-CG 4.41Å; I1717-F1721 WeakPolarHBondContact O-CB 3.23Å; I1717-F1721 PolarHBondContact O-N 2.92Å; K1718-F1721 PolarHBondContact O-N 3.49Å; K1719-F1721 VanDerWaalsContact C-N 3.33Å; K1719-F1721 PolarHBondContact O-N 3.14Å; F1721-M1723 VanDerWaalsContact C-N 3.33Å; F1721-M1724 PolarHBondContact O-N 2.98Å; F1721-T1725 HydrophobicContact CD1-CG2 4.33Å; F1721-T1725 HydrophobicContact CE1-CG2 3.95Å; F1721-T1725 HydrophobicContact CE2-CG2 4.28Å; F1721-T1725 HydrophobicContact CZ-CG2 3.92Å; F1721-T1725 WeakPolarHBondContact O-CG2 3.28Å; F1721-T1725 PolarHBondContact O-N 3.18Å; F1721-T1725 PolarHBondContact O-OG1 3.27Å; F1721-A1738 HydrophobicContact CE2-CB 3.73Å; F1721-A1738 HydrophobicContact CZ-CB 3.52Å; F1721-L1740 HydrophobicContact CB-CD2 4.29Å; F1721-L1740 HydrophobicContact CD2-CD2 4.05Å; F1721-L1740 HydrophobicContact CG-CD2 4.38Å |
| 1722 | L | 83.5 | Confident | 84.6 | Confident | 43 Ų | 43 | 19.7 Ų | 19.7 | 23% | 0.225 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.8 | -38.7 | 176.6 | -70.2 | 172.1 | 0 | 0 | 0 | 111.5 | F1630 F1633 K1718 K1719 T1725 T1726 | F1630-L1722 HydrophobicContact CD1-CB 3.8Å; F1630-L1722 HydrophobicContact CE1-CB 3.62Å; F1633-L1722 HydrophobicContact CD1-CD2 4.5Å; F1633-L1722 HydrophobicContact CG-CD2 4.43Å; K1718-L1722 HydrophobicContact CG-CD1 4.46Å; K1718-L1722 WeakPolarHBondContact O-CG 3.47Å; K1718-L1722 PolarHBondContact O-N 3.15Å; K1719-L1722 PolarHBondContact O-N 2.92Å; L1722-T1725 WeakPolarHBondContact CA-OG1 3.49Å; L1722-T1725 PolarHBondContact O-OG1 3.07Å; L1722-T1726 WeakPolarHBondContact O-CB 3.49Å; L1722-T1726 PolarHBondContact O-N 3Å; L1722-T1726 PolarHBondContact O-OG1 2.93Å |
| 1723 | M | 85.3 | Confident | 84.7 | Confident | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61 | -49.5 | 173.2 | -70.7 | 164.7 | 52.7 | 0 | 0 | 111.2 | I1621 F1630 K1719 L1720 F1721 T1725 T1726 D1727 E1771 F1772 | I1621-M1723 HydrophobicContact CG2-SD 4.27Å; F1630-M1723 HydrophobicContact CE1-CG 4.05Å; F1630-M1723 HydrophobicContact CZ-CG 3.94Å; K1719-M1723 VanDerWaalsContact O-CG 3.26Å; K1719-M1723 WeakPolarHBondContact O-CG 3.49Å; K1719-M1723 PolarHBondContact O-N 3.14Å; L1720-M1723 HydrophobicContact CD1-CE 4.42Å; L1720-M1723 PolarHBondContact O-N 3.07Å; F1721-M1723 VanDerWaalsContact C-N 3.33Å; M1723-T1725 PolarHBondContact O-N 3.19Å; M1723-T1726 PolarHBondContact O-N 2.81Å; M1723-D1727 WeakPolarHBondContact O-CB 3.03Å; M1723-D1727 PolarHBondContact O-N 2.9Å; M1723-E1771 HydrophobicContact CE-CB 4.17Å; M1723-E1771 HydrophobicContact CE-CG 3.96Å; M1723-F1772 HydrophobicContact CB-CE1 4.27Å; M1723-F1772 HydrophobicContact CB-CZ 4.03Å |
| 1724 | M | 88.6 | Confident | 84.6 | Confident | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.5 | -42 | -179.7 | -175.3 | 171.6 | 49.4 | 0 | 0 | 112.2 | V1607 F1610 L1720 F1721 T1726 D1727 L1728 I1743 L1766 F1772 L1777 | V1607-M1724 HydrophobicContact CG1-CE 4.48Å; F1610-M1724 HydrophobicContact CE1-CE 4.14Å; F1610-M1724 HydrophobicContact CE2-CE 3.6Å; F1610-M1724 HydrophobicContact CZ-CE 3.19Å; L1720-M1724 PolarHBondContact O-N 3.27Å; F1721-M1724 PolarHBondContact O-N 2.98Å; M1724-T1726 VanDerWaalsContact C-N 3.32Å; M1724-T1726 PolarHBondContact O-N 2.85Å; M1724-D1727 PolarHBondContact O-N 3.19Å; M1724-L1728 HydrophobicContact CG-CD1 4.18Å; M1724-L1728 HydrophobicContact CG-CG 4.42Å; M1724-L1728 WeakPolarHBondContact O-CB 3.35Å; M1724-L1728 VanDerWaalsContact O-CG 3.24Å; M1724-L1728 WeakPolarHBondContact O-CG 3.41Å; M1724-L1728 PolarHBondContact O-N 3.23Å; M1724-I1743 HydrophobicContact CE-CD1 3.31Å; M1724-I1743 HydrophobicContact SD-CD1 4.14Å; M1724-L1766 HydrophobicContact CG-CD1 4.27Å; M1724-L1766 HydrophobicContact SD-CD1 4.48Å; M1724-F1772 HydrophobicContact CB-CD1 4.28Å; M1724-F1772 HydrophobicContact CB-CE1 3.68Å; M1724-F1772 HydrophobicContact CB-CZ 3.96Å; M1724-F1772 HydrophobicContact CG-CE1 4.41Å; M1724-L1777 HydrophobicContact SD-CD2 4.22Å |
| 1725 | T | 85.7 | Confident | 84.9 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.4 | -32.8 | 177.8 | 51.8 | 0 | 0 | 0 | 0 | 112.8 | V1592 F1633 F1721 L1722 M1723 S1729 V1735 A1738 | V1592-T1725 HydrophobicContact CG2-CG2 4.11Å; F1633-T1725 WeakPolarHBondContact CZ-OG1 3.45Å; F1721-T1725 HydrophobicContact CD1-CG2 4.33Å; F1721-T1725 HydrophobicContact CE1-CG2 3.95Å; F1721-T1725 HydrophobicContact CE2-CG2 4.28Å; F1721-T1725 HydrophobicContact CZ-CG2 3.92Å; F1721-T1725 WeakPolarHBondContact O-CG2 3.28Å; F1721-T1725 PolarHBondContact O-N 3.18Å; F1721-T1725 PolarHBondContact O-OG1 3.27Å; L1722-T1725 WeakPolarHBondContact CA-OG1 3.49Å; L1722-T1725 PolarHBondContact O-OG1 3.07Å; M1723-T1725 PolarHBondContact O-N 3.19Å; T1725-S1729 PolarHBondContact O-N 2.89Å; T1725-S1729 PolarHBondContact O-OG 3.06Å; T1725-V1735 HydrophobicContact CG2-CG1 4.41Å; T1725-V1735 HydrophobicContact CG2-CG2 4.47Å; T1725-A1738 HydrophobicContact CG2-CB 4Å |
| 1726 | T | 82.5 | Confident | 85.5 | Confident | 9 Ų | 9 | 22.8 Ų | 22.8 | 6% | 0.055 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.5 | -46.9 | 172.3 | -56.4 | 0 | 0 | 0 | 0 | 110.8 | R1629 L1722 M1723 M1724 L1728 S1729 Q1730 | R1629-T1726 HydrophobicContact CG-CG2 4.42Å; L1722-T1726 WeakPolarHBondContact O-CB 3.49Å; L1722-T1726 PolarHBondContact O-N 3Å; L1722-T1726 PolarHBondContact O-OG1 2.93Å; M1723-T1726 PolarHBondContact O-N 2.81Å; M1724-T1726 VanDerWaalsContact C-N 3.32Å; M1724-T1726 PolarHBondContact O-N 2.85Å; T1726-L1728 PolarHBondContact O-N 3.42Å; T1726-S1729 WeakPolarHBondContact O-CA 3.42Å; T1726-S1729 WeakPolarHBondContact O-CB 3.39Å; T1726-S1729 PolarHBondContact O-N 3.22Å; T1726-S1729 VanDerWaalsContact O-N 3.1Å; T1726-Q1730 WeakPolarHBondContact O-CG 3.49Å; T1726-Q1730 PolarHBondContact O-N 3.34Å |
| 1727 | D | 86.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.4 | -37.5 | -179.6 | -79.1 | 19.8 | 0 | 0 | 0 | 112.5 | R1629 M1723 M1724 S1729 Q1730 L1731 L1766 K1769 F1772 | R1629-D1727 IonicContact CZ-OD1 3.84Å; R1629-D1727 IonicContact NH2-OD1 3.03Å; R1629-D1727 PolarHBondContact NH2-OD1 3.36Å; R1629-D1727 IonicContact NH2-OD2 3.26Å; M1723-D1727 WeakPolarHBondContact O-CB 3.03Å; M1723-D1727 PolarHBondContact O-N 2.9Å; M1724-D1727 PolarHBondContact O-N 3.19Å; D1727-S1729 VanDerWaalsContact C-N 3.25Å; D1727-S1729 PolarHBondContact O-N 3.31Å; D1727-Q1730 PolarHBondContact O-N 2.83Å; D1727-Q1730 VanDerWaalsContact O-N 3.16Å; D1727-L1731 WeakPolarHBondContact O-CB 3.42Å; D1727-L1731 VanDerWaalsContact O-CG 3.29Å; D1727-L1731 WeakPolarHBondContact O-CG 3.4Å; D1727-L1731 PolarHBondContact O-N 3.27Å; D1727-L1766 HydrophobicContact CB-CD2 4.03Å; D1727-K1769 IonicContact OD2-NZ 4Å; D1727-K1769 PolarHBondContact OD2-NZ 3.4Å; D1727-F1772 HydrophobicContact CB-CE2 4.23Å; D1727-F1772 WeakPolarHBondContact OD2-CE2 3.42Å |
| 1728 | L | 87.1 | Confident | 85.7 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -55.2 | -44.6 | 169.5 | -78.9 | 169.1 | 0 | 0 | 0 | 111 | M1724 T1726 L1731 A1733 V1735 I1743 V1745 I1762 L1766 | M1724-L1728 HydrophobicContact CG-CD1 4.18Å; M1724-L1728 HydrophobicContact CG-CG 4.42Å; M1724-L1728 WeakPolarHBondContact O-CB 3.35Å; M1724-L1728 VanDerWaalsContact O-CG 3.24Å; M1724-L1728 WeakPolarHBondContact O-CG 3.41Å; M1724-L1728 PolarHBondContact O-N 3.23Å; T1726-L1728 PolarHBondContact O-N 3.42Å; L1728-L1731 PolarHBondContact O-N 2.79Å; L1728-A1733 CarbonylContact C-O 3.56Å; L1728-A1733 WeakPolarHBondContact O-CB 3.38Å; L1728-A1733 PolarHBondContact O-N 3.23Å; L1728-A1733 VanDerWaalsContact O-O 3.08Å; L1728-V1735 HydrophobicContact CB-CG2 3.9Å; L1728-V1735 HydrophobicContact CD1-CG2 4.07Å; L1728-I1743 HydrophobicContact CD1-CD1 4.38Å; L1728-I1743 HydrophobicContact CD1-CG2 4.02Å; L1728-V1745 HydrophobicContact CD1-CG1 4.01Å; L1728-V1745 HydrophobicContact CD2-CG1 4.18Å; L1728-I1762 HydrophobicContact CD2-CG2 3.4Å; L1728-L1766 HydrophobicContact CD2-CD1 3.65Å; L1728-L1766 HydrophobicContact CG-CD1 4.09Å |
| 1729 | S | 82 | Confident | 85.9 | Confident | 55 Ų | 55 | 22.9 Ų | 22.9 | 39% | 0.385 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -65.1 | -39.2 | 177.1 | -54.6 | 0 | 0 | 0 | 0 | 112.1 | T1725 T1726 D1727 G1732 A1733 | T1725-S1729 PolarHBondContact O-N 2.89Å; T1725-S1729 PolarHBondContact O-OG 3.06Å; T1726-S1729 WeakPolarHBondContact O-CA 3.42Å; T1726-S1729 WeakPolarHBondContact O-CB 3.39Å; T1726-S1729 PolarHBondContact O-N 3.22Å; T1726-S1729 VanDerWaalsContact O-N 3.1Å; D1727-S1729 VanDerWaalsContact C-N 3.25Å; D1727-S1729 PolarHBondContact O-N 3.31Å; S1729-G1732 PolarHBondContact O-N 2.87Å; S1729-A1733 VanDerWaalsContact CA-O 3.28Å; S1729-A1733 WeakPolarHBondContact CA-O 3.38Å; S1729-A1733 PolarHBondContact N-O 2.8Å |
| 1730 | Q | 82.8 | Confident | 85.7 | Confident | 127 Ų | 127 | 22.2 Ų | 22.2 | 59% | 0.593 | 13% | 0.127 | S | C | * | . | H | α-helix | trans | -68.8 | -30.3 | 175.9 | -69.2 | 178.4 | -4.6 | 0 | 0 | 113.3 | T1726 D1727 G1732 | T1726-Q1730 WeakPolarHBondContact O-CG 3.49Å; T1726-Q1730 PolarHBondContact O-N 3.34Å; D1727-Q1730 PolarHBondContact O-N 2.83Å; D1727-Q1730 VanDerWaalsContact O-N 3.16Å; Q1730-G1732 PolarHBondContact O-N 3.48Å |
| 1731 | L | 86.8 | Confident | 85.4 | Confident | 40 Ų | 40 | 25 Ų | 25 | 21% | 0.209 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 7.9 | 173.9 | -68.6 | 169.9 | 0 | 0 | 0 | 113.1 | D1727 L1728 H1758 F1761 I1762 L1766 | D1727-L1731 WeakPolarHBondContact O-CB 3.42Å; D1727-L1731 VanDerWaalsContact O-CG 3.29Å; D1727-L1731 WeakPolarHBondContact O-CG 3.4Å; D1727-L1731 PolarHBondContact O-N 3.27Å; L1728-L1731 PolarHBondContact O-N 2.79Å; L1731-H1758 PolarHBondContact O-NE2 3.4Å; L1731-H1758 VanDerWaalsContact O-NE2 3.15Å; L1731-F1761 HydrophobicContact CD2-CE1 4.19Å; L1731-I1762 HydrophobicContact CB-CG1 4.42Å; L1731-I1762 HydrophobicContact CD1-CG2 4.43Å; L1731-L1766 HydrophobicContact CD1-CD2 4.02Å; L1731-L1766 HydrophobicContact CD1-CG 4.05Å |
| 1732 | G | 80 | Confident | 85.3 | Confident | 41 Ų | 41 | 28.7 Ų | 28.7 | 42% | 0.423 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 13.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S1729 Q1730 | S1729-G1732 PolarHBondContact O-N 2.87Å; Q1730-G1732 PolarHBondContact O-N 3.48Å |
| 1733 | A | 85.1 | Confident | 85.6 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.008 | 15% | 0.147 | C | C | . | . | trans | -99.6 | 128.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L1728 S1729 V1745 C1746 I1762 | L1728-A1733 CarbonylContact C-O 3.56Å; L1728-A1733 WeakPolarHBondContact O-CB 3.38Å; L1728-A1733 PolarHBondContact O-N 3.23Å; L1728-A1733 VanDerWaalsContact O-O 3.08Å; S1729-A1733 VanDerWaalsContact CA-O 3.28Å; S1729-A1733 WeakPolarHBondContact CA-O 3.38Å; S1729-A1733 PolarHBondContact N-O 2.8Å; A1733-V1745 HydrophobicContact CB-CB 4.21Å; A1733-C1746 WeakPolarHBondContact CA-O 3.44Å; A1733-I1762 HydrophobicContact CB-CD1 3.6Å; A1733-I1762 HydrophobicContact CB-CG1 4.47Å | ||
| 1734 | Q | 86.4 | Confident | 85.9 | Confident | 93 Ų | 93 | 26.7 Ų | 26.7 | 44% | 0.435 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 117 | 178.3 | -58.5 | -170.8 | 15.7 | 0 | 0 | 110.6 | W1598 V1736 V1745 C1746 | W1598-Q1734 HydrophobicContact CH2-CB 4.08Å; W1598-Q1734 HydrophobicContact CZ3-CB 3.88Å; W1598-Q1734 VanDerWaalsContact CZ3-OE1 3.29Å; Q1734-V1736 PolarHBondContact O-N 3.18Å; Q1734-V1736 VanDerWaalsContact O-N 3.12Å; Q1734-V1745 CarbonylContact O-C 3.59Å; Q1734-V1745 WeakPolarHBondContact O-CA 3.39Å; Q1734-C1746 HydrophobicContact CB-CB 4.18Å; Q1734-C1746 PolarHBondContact N-O 2.89Å; Q1734-C1746 PolarHBondContact O-N 3.11Å |
| 1735 | V | 90 | Very high | 86.1 | Confident | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 110.2 | 178.3 | -175.6 | 0 | 0 | 0 | 0 | 110.3 | V1592 K1594 T1725 L1728 A1738 V1745 | V1592-V1735 HydrophobicContact CB-CG1 4.06Å; V1592-V1735 HydrophobicContact CG1-CB 4.45Å; V1592-V1735 HydrophobicContact CG1-CG1 3.96Å; K1594-V1735 WeakPolarHBondContact CD-O 3.36Å; T1725-V1735 HydrophobicContact CG2-CG1 4.41Å; T1725-V1735 HydrophobicContact CG2-CG2 4.47Å; L1728-V1735 HydrophobicContact CB-CG2 3.9Å; L1728-V1735 HydrophobicContact CD1-CG2 4.07Å; V1735-A1738 HydrophobicContact CG1-CB 3.63Å; V1735-V1745 HydrophobicContact CG2-CG1 4.32Å |
| 1736 | V | 90.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | -54.3 | 177.5 | 177.3 | 0 | 0 | 0 | 0 | 109.8 | K1594 W1598 Q1734 I1744 C1746 L1786 W1788 | K1594-V1736 PolarHBondContact N-O 2.67Å; W1598-V1736 HydrophobicContact CD2-CG1 4.48Å; W1598-V1736 HydrophobicContact CD2-CG2 3.66Å; W1598-V1736 HydrophobicContact CE3-CG2 4.06Å; W1598-V1736 HydrophobicContact CG-CG1 4.46Å; W1598-V1736 HydrophobicContact CG-CG2 4.1Å; W1598-V1736 HydrophobicContact CH2-CG2 4.2Å; W1598-V1736 HydrophobicContact CZ2-CB 4.24Å; W1598-V1736 HydrophobicContact CZ2-CG1 4.3Å; W1598-V1736 HydrophobicContact CZ2-CG2 3.83Å; W1598-V1736 HydrophobicContact CZ3-CG2 4.31Å; W1598-V1736 VanDerWaalsContact NE1-CG1 3.3Å; Q1734-V1736 PolarHBondContact O-N 3.18Å; Q1734-V1736 VanDerWaalsContact O-N 3.12Å; V1736-I1744 HydrophobicContact CB-CB 4.21Å; V1736-I1744 HydrophobicContact CB-CG2 3.95Å; V1736-I1744 WeakPolarHBondContact CB-O 3.45Å; V1736-I1744 HydrophobicContact CG1-CG2 4.32Å; V1736-I1744 HydrophobicContact CG2-CG2 4.26Å; V1736-I1744 PolarHBondContact N-O 2.85Å; V1736-C1746 HydrophobicContact CG2-CB 3.83Å; V1736-L1786 HydrophobicContact CG1-CD2 4.38Å; V1736-W1788 HydrophobicContact CG1-CB 4.03Å; V1736-W1788 HydrophobicContact CG1-CD2 4.25Å; V1736-W1788 HydrophobicContact CG1-CG 3.8Å |
| 1737 | H | 91 | Very high | 86.4 | Confident | 6 Ų | 6 | 26.3 Ų | 26.3 | 3% | 0.028 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 139.4 | 177.6 | -179.8 | 58.6 | 0 | 0 | 0 | 109.3 | V1592 T1739 I1743 I1744 W1788 | V1592-H1737 CarbonylContact O-C 3.54Å; V1592-H1737 WeakPolarHBondContact O-CA 3.37Å; V1592-H1737 PolarHBondContact O-ND1 2.76Å; H1737-T1739 WeakPolarHBondContact NE2-CG2 3.3Å; H1737-I1743 CarbonylContact O-C 3.51Å; H1737-I1743 WeakPolarHBondContact O-CA 3.45Å; H1737-I1744 HydrophobicContact CB-CB 4.29Å; H1737-I1744 HydrophobicContact CB-CD1 4.37Å; H1737-I1744 HydrophobicContact CB-CG1 4.49Å; H1737-I1744 PolarHBondContact N-O 3.17Å; H1737-I1744 PolarHBondContact O-N 2.84Å; H1737-W1788 HydrophobicContact CB-CH2 4.24Å; H1737-W1788 HydrophobicContact CB-CZ2 3.47Å; H1737-W1788 VanDerWaalsContact CB-CZ2 3.47Å; H1737-W1788 AromaticContact CD2-CH2 3.85Å; H1737-W1788 AromaticContact CD2-CZ2 3.44Å; H1737-W1788 VanDerWaalsContact CD2-CZ2 3.44Å; H1737-W1788 WeakPolarHBondContact CD2-CZ2 3.36Å; H1737-W1788 AromaticContact CG-CE2 3.94Å; H1737-W1788 AromaticContact CG-CZ2 3.33Å; H1737-W1788 AromaticContact ND1-CZ2 3.92Å |
| 1738 | A | 87.2 | Confident | 86.2 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 136.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q1591 V1592 F1721 T1725 V1735 K1742 I1743 | Q1591-A1738 CarbonylContact C-O 3.56Å; Q1591-A1738 WeakPolarHBondContact CA-O 3.37Å; V1592-A1738 HydrophobicContact CB-CB 4.06Å; V1592-A1738 HydrophobicContact CG2-CB 4.29Å; V1592-A1738 PolarHBondContact N-O 3.39Å; V1592-A1738 PolarHBondContact O-N 2.86Å; F1721-A1738 HydrophobicContact CE2-CB 3.73Å; F1721-A1738 HydrophobicContact CZ-CB 3.52Å; T1725-A1738 HydrophobicContact CG2-CB 4Å; V1735-A1738 HydrophobicContact CG1-CB 3.63Å; A1738-K1742 CarbonylContact C-O 3.54Å; A1738-I1743 HydrophobicContact CB-CB 4.44Å; A1738-I1743 HydrophobicContact CB-CG1 3.92Å; A1738-I1743 HydrophobicContact CB-CG2 4.17Å |
| 1739 | T | 84.5 | Confident | 86 | Confident | 30 Ų | 30 | 34 Ų | 34 | 18% | 0.184 | 18% | 0.18 | C | C | . | . | trans | -135.6 | 177.2 | 170.7 | 63.5 | 0 | 0 | 0 | 0 | 108.2 | Q1591 H1737 N1741 K1742 | Q1591-T1739 HydrophobicContact CB-CG2 4.47Å; H1737-T1739 WeakPolarHBondContact NE2-CG2 3.3Å; T1739-N1741 PolarHBondContact O-N 3.47Å; T1739-N1741 VanDerWaalsContact O-N 3.15Å; T1739-K1742 PolarHBondContact N-O 3.02Å; T1739-K1742 PolarHBondContact OG1-N 3.03Å; T1739-K1742 PolarHBondContact OG1-O 3.39Å; T1739-K1742 VanDerWaalsContact OG1-O 3.12Å | ||
| 1740 | L | 79.3 | Confident | 85.7 | Confident | 15 Ų | 15 | 33.5 Ų | 33.5 | 8% | 0.079 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -64.7 | -16 | 179.7 | -60.1 | -179.4 | 0 | 0 | 0 | 114.7 | L1587 V1590 F1610 I1717 F1721 | L1587-L1740 HydrophobicContact CB-CD1 4.4Å; L1587-L1740 HydrophobicContact CD1-CD1 4.01Å; L1587-L1740 HydrophobicContact CD2-CD1 4.19Å; L1587-L1740 HydrophobicContact CG-CD1 4.44Å; V1590-L1740 HydrophobicContact CG1-CD2 4.09Å; F1610-L1740 WeakPolarHBondContact CD2-O 3.24Å; I1717-L1740 HydrophobicContact CG2-CD1 4.02Å; I1717-L1740 HydrophobicContact CG2-CD2 3.52Å; I1717-L1740 HydrophobicContact CG2-CG 4.4Å; F1721-L1740 HydrophobicContact CB-CD2 4.29Å; F1721-L1740 HydrophobicContact CD2-CD2 4.05Å; F1721-L1740 HydrophobicContact CG-CD2 4.38Å |
| 1741 | N | 80.4 | Confident | 85.3 | Confident | 59 Ų | 59 | 30.9 Ų | 30.9 | 32% | 0.316 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -122 | -10.2 | -176.6 | -50.1 | -53.6 | 0 | 0 | 0 | 113.3 | V1607 T1739 S1974 | V1607-N1741 PolarHBondContact N-O 2.92Å; T1739-N1741 PolarHBondContact O-N 3.47Å; T1739-N1741 VanDerWaalsContact O-N 3.15Å; N1741-S1974 PolarHBondContact ND2-O 3.33Å |
| 1742 | K | 85.8 | Confident | 84.9 | Confident | 78 Ų | 78 | 31.6 Ų | 31.6 | 34% | 0.339 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 132.1 | -174.5 | -178.4 | -179.9 | -65.5 | -158.4 | 0 | 110.7 | E1604 L1605 A1738 T1739 | E1604-K1742 HydrophobicContact CG-CD 4.17Å; E1604-K1742 HydrophobicContact CG-CG 4.17Å; E1604-K1742 VanDerWaalsContact OE1-CD 3.31Å; E1604-K1742 WeakPolarHBondContact OE1-CD 3.48Å; E1604-K1742 WeakPolarHBondContact OE1-CE 3.32Å; E1604-K1742 IonicContact OE1-NZ 3.34Å; E1604-K1742 PolarHBondContact OE1-NZ 3Å; L1605-K1742 WeakPolarHBondContact O-CA 3.49Å; A1738-K1742 CarbonylContact C-O 3.54Å; T1739-K1742 PolarHBondContact N-O 3.02Å; T1739-K1742 PolarHBondContact OG1-N 3.03Å; T1739-K1742 PolarHBondContact OG1-O 3.39Å; T1739-K1742 VanDerWaalsContact OG1-O 3.12Å |
| 1743 | I | 89.6 | Confident | 84.8 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 130 | 174.4 | -60.6 | 177.8 | 0 | 0 | 0 | 109.2 | L1605 V1607 M1724 L1728 H1737 A1738 V1745 | L1605-I1743 HydrophobicContact CB-CB 4.44Å; L1605-I1743 PolarHBondContact N-O 3.08Å; L1605-I1743 PolarHBondContact O-N 2.86Å; V1607-I1743 HydrophobicContact CG2-CB 4.36Å; V1607-I1743 HydrophobicContact CG2-CD1 3.65Å; V1607-I1743 HydrophobicContact CG2-CG1 3.66Å; M1724-I1743 HydrophobicContact CE-CD1 3.31Å; M1724-I1743 HydrophobicContact SD-CD1 4.14Å; L1728-I1743 HydrophobicContact CD1-CD1 4.38Å; L1728-I1743 HydrophobicContact CD1-CG2 4.02Å; H1737-I1743 CarbonylContact O-C 3.51Å; H1737-I1743 WeakPolarHBondContact O-CA 3.45Å; A1738-I1743 HydrophobicContact CB-CB 4.44Å; A1738-I1743 HydrophobicContact CB-CG1 3.92Å; A1738-I1743 HydrophobicContact CB-CG2 4.17Å; I1743-V1745 HydrophobicContact CG2-CG1 3.74Å |
| 1744 | I | 92.6 | Very high | 84.5 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 119.8 | 170.7 | -55.2 | 177.7 | 0 | 0 | 0 | 107.6 | C1602 I1603 E1604 V1736 H1737 L1786 W1788 | C1602-I1744 HydrophobicContact CB-CG2 4.17Å; I1603-I1744 CarbonylContact O-C 3.58Å; I1603-I1744 VanDerWaalsContact O-CA 3.27Å; I1603-I1744 WeakPolarHBondContact O-CA 3.09Å; E1604-I1744 HydrophobicContact CB-CG1 4.26Å; E1604-I1744 HydrophobicContact CG-CG1 4.07Å; V1736-I1744 HydrophobicContact CB-CB 4.21Å; V1736-I1744 HydrophobicContact CB-CG2 3.95Å; V1736-I1744 WeakPolarHBondContact CB-O 3.45Å; V1736-I1744 HydrophobicContact CG1-CG2 4.32Å; V1736-I1744 HydrophobicContact CG2-CG2 4.26Å; V1736-I1744 PolarHBondContact N-O 2.85Å; H1737-I1744 HydrophobicContact CB-CB 4.29Å; H1737-I1744 HydrophobicContact CB-CD1 4.37Å; H1737-I1744 HydrophobicContact CB-CG1 4.49Å; H1737-I1744 PolarHBondContact N-O 3.17Å; H1737-I1744 PolarHBondContact O-N 2.84Å; I1744-L1786 HydrophobicContact CG2-CD2 3.91Å; I1744-W1788 HydrophobicContact CD1-CE3 4.03Å; I1744-W1788 HydrophobicContact CD1-CH2 3.57Å; I1744-W1788 HydrophobicContact CD1-CZ2 4.34Å; I1744-W1788 HydrophobicContact CD1-CZ3 3.38Å |
| 1745 | V | 91.1 | Very high | 84.3 | Confident | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.018 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 137.1 | 176.2 | -64.8 | 0 | 0 | 0 | 0 | 110.8 | C1602 I1603 L1605 L1728 A1733 Q1734 V1735 I1743 | C1602-V1745 CarbonylContact C-O 3.58Å; C1602-V1745 VanDerWaalsContact CA-O 3.24Å; C1602-V1745 WeakPolarHBondContact CA-O 3.37Å; I1603-V1745 HydrophobicContact CB-CG2 4.14Å; I1603-V1745 HydrophobicContact CD1-CG2 4.16Å; I1603-V1745 PolarHBondContact N-O 3.33Å; I1603-V1745 PolarHBondContact O-N 3.46Å; L1605-V1745 HydrophobicContact CD1-CG2 4.49Å; L1728-V1745 HydrophobicContact CD1-CG1 4.01Å; L1728-V1745 HydrophobicContact CD2-CG1 4.18Å; A1733-V1745 HydrophobicContact CB-CB 4.21Å; Q1734-V1745 CarbonylContact O-C 3.59Å; Q1734-V1745 WeakPolarHBondContact O-CA 3.39Å; V1735-V1745 HydrophobicContact CG2-CG1 4.32Å; I1743-V1745 HydrophobicContact CG2-CG1 3.74Å |
| 1746 | C | 91.1 | Very high | 83.9 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 125.4 | 166.8 | 171 | 0 | 0 | 0 | 0 | 108 | W1598 D1600 A1733 Q1734 V1736 S1748 | W1598-C1746 HydrophobicContact CD2-CB 4.28Å; W1598-C1746 HydrophobicContact CE3-CB 3.47Å; W1598-C1746 VanDerWaalsContact CE3-CB 3.47Å; W1598-C1746 HydrophobicContact CZ3-CB 3.68Å; D1600-C1746 VanDerWaalsContact CB-SG 3.57Å; A1733-C1746 WeakPolarHBondContact CA-O 3.44Å; Q1734-C1746 HydrophobicContact CB-CB 4.18Å; Q1734-C1746 PolarHBondContact N-O 2.89Å; Q1734-C1746 PolarHBondContact O-N 3.11Å; V1736-C1746 HydrophobicContact CG2-CB 3.83Å; C1746-S1748 PolarHBondContact O-N 2.89Å; C1746-S1748 PolarHBondContact SG-N 2.95Å; C1746-S1748 VanDerWaalsContact SG-N 3.4Å |
| 1747 | S | 85.2 | Confident | 83.4 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -71 | -15.9 | 178.5 | 61.6 | 0 | 0 | 0 | 0 | 113.1 | V1601 R1749 H1758 | V1601-S1747 WeakPolarHBondContact O-CB 3.24Å; V1601-S1747 PolarHBondContact O-N 2.88Å; V1601-S1747 PolarHBondContact O-OG 2.79Å; S1747-R1749 PolarHBondContact O-N 3.13Å; S1747-R1749 PolarHBondContact OG-N 3.18Å; S1747-R1749 PolarHBondContact OG-O 3.45Å; S1747-H1758 PolarHBondContact O-CE1 3.34Å; S1747-H1758 VanDerWaalsContact O-CE1 3.3Å; S1747-H1758 PolarHBondContact O-ND1 3.43Å; S1747-H1758 VanDerWaalsContact O-ND1 3.16Å | ||
| 1748 | S | 82 | Confident | 83.1 | Confident | 44 Ų | 44 | 46.2 Ų | 46.2 | 31% | 0.308 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 54.5 | 28.1 | -167 | -58.9 | 0 | 0 | 0 | 0 | 112.6 | C1746 | C1746-S1748 PolarHBondContact O-N 2.89Å; C1746-S1748 PolarHBondContact SG-N 2.95Å; C1746-S1748 VanDerWaalsContact SG-N 3.4Å |
| 1749 | R | 82 | Confident | 82.9 | Confident | 117 Ų | 117 | 46.4 Ų | 46.4 | 44% | 0.442 | 23% | 0.233 | S | C | . | . | trans | -121.2 | 127.8 | 173.9 | -54.3 | -60.6 | 170.2 | 177.7 | -2.9 | 109 | V1601 S1747 E1754 A1755 | V1601-R1749 PolarHBondContact N-O 3.16Å; V1601-R1749 VanDerWaalsContact N-O 3.11Å; S1747-R1749 PolarHBondContact O-N 3.13Å; S1747-R1749 PolarHBondContact OG-N 3.18Å; S1747-R1749 PolarHBondContact OG-O 3.45Å; R1749-E1754 HydrophobicContact CB-CB 4.21Å; R1749-E1754 HydrophobicContact CG-CB 4.24Å; R1749-A1755 HydrophobicContact CB-CB 4.15Å | ||
| 1750 | L | 77.1 | Confident | 82.9 | Confident | 46 Ų | 46 | 48.4 Ų | 48.4 | 24% | 0.241 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -77.5 | -36.1 | 172.4 | -68.7 | 169 | 0 | 0 | 0 | 111.1 | D1600 K1784 L1853 | D1600-L1750 VanDerWaalsContact OD1-CD2 3.26Å; D1600-L1750 WeakPolarHBondContact OD1-CD2 3.43Å; D1600-L1750 WeakPolarHBondContact OD1-CG 3.19Å; L1750-K1784 PolarHBondContact O-NZ 3.12Å; L1750-L1853 HydrophobicContact CD1-CD2 3.7Å |
| 1751 | D | 74.1 | Confident | 83.3 | Confident | 72 Ų | 72 | 53 Ų | 53 | 39% | 0.385 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -74.1 | 134.1 | 178.4 | -178.6 | -97.5 | 0 | 0 | 0 | 111.8 | K1753 E1754 A1755 | D1751-K1753 WeakPolarHBondContact OD1-CA 3.38Å; D1751-K1753 WeakPolarHBondContact OD1-CB 3.48Å; D1751-K1753 PolarHBondContact OD1-N 3.27Å; D1751-E1754 HydrophobicContact CB-CB 4.07Å; D1751-E1754 HydrophobicContact CB-CG 4Å; D1751-E1754 PolarHBondContact OD1-N 3.35Å; D1751-A1755 VanDerWaalsContact O-CB 3.29Å; D1751-A1755 WeakPolarHBondContact O-CB 3.36Å; D1751-A1755 PolarHBondContact O-N 3.45Å |
| 1752 | L | 77.3 | Confident | 83.6 | Confident | 54 Ų | 54 | 50.3 Ų | 50.3 | 28% | 0.283 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -71.5 | -38 | -175.2 | -179.4 | 58.8 | 0 | 0 | 0 | 112.4 | V1601 A1755 I1756 I1799 | V1601-L1752 HydrophobicContact CG1-CD1 4.31Å; L1752-A1755 PolarHBondContact O-N 3.25Å; L1752-I1756 HydrophobicContact CD1-CD1 3.99Å; L1752-I1756 HydrophobicContact CD1-CG1 4.2Å; L1752-I1756 HydrophobicContact CG-CD1 3.97Å; L1752-I1756 VanDerWaalsContact O-CG1 3.31Å; L1752-I1756 WeakPolarHBondContact O-CG1 3.25Å; L1752-I1756 PolarHBondContact O-N 2.99Å; L1752-I1799 HydrophobicContact CD1-CD1 3.38Å; L1752-I1799 HydrophobicContact CD2-CD1 4.2Å; L1752-I1799 HydrophobicContact CD2-CG2 4.04Å; L1752-I1799 HydrophobicContact CG-CD1 4.38Å |
| 1753 | K | 77.4 | Confident | 83.7 | Confident | 178 Ų | 178 | 47.3 Ų | 47.3 | 77% | 0.774 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -69.5 | -41.5 | 179.7 | -67.2 | 179.6 | 179.4 | 174.2 | 0 | 110 | D1751 I1756 S1757 | D1751-K1753 WeakPolarHBondContact OD1-CA 3.38Å; D1751-K1753 WeakPolarHBondContact OD1-CB 3.48Å; D1751-K1753 PolarHBondContact OD1-N 3.27Å; K1753-I1756 PolarHBondContact O-N 3.38Å; K1753-S1757 VanDerWaalsContact O-CB 3.32Å; K1753-S1757 WeakPolarHBondContact O-CB 3.49Å; K1753-S1757 PolarHBondContact O-N 3.06Å |
| 1754 | E | 79.4 | Confident | 83.7 | Confident | 106 Ų | 106 | 54.2 Ų | 54.2 | 50% | 0.495 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 172.1 | -68 | -172.7 | 178.9 | 0 | 0 | 111.6 | R1749 D1751 S1757 H1758 | R1749-E1754 HydrophobicContact CB-CB 4.21Å; R1749-E1754 HydrophobicContact CG-CB 4.24Å; D1751-E1754 HydrophobicContact CB-CB 4.07Å; D1751-E1754 HydrophobicContact CB-CG 4Å; D1751-E1754 PolarHBondContact OD1-N 3.35Å; E1754-S1757 PolarHBondContact O-N 3.34Å; E1754-H1758 VanDerWaalsContact O-CB 3.23Å; E1754-H1758 WeakPolarHBondContact O-CB 3.34Å; E1754-H1758 PolarHBondContact O-N 3Å |
| 1755 | A | 81.8 | Confident | 83.6 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.2 | -41.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V1601 R1749 D1751 L1752 H1758 S1759 | V1601-A1755 HydrophobicContact CB-CB 3.63Å; V1601-A1755 HydrophobicContact CG1-CB 3.67Å; V1601-A1755 HydrophobicContact CG2-CB 4.06Å; R1749-A1755 HydrophobicContact CB-CB 4.15Å; D1751-A1755 VanDerWaalsContact O-CB 3.29Å; D1751-A1755 WeakPolarHBondContact O-CB 3.36Å; D1751-A1755 PolarHBondContact O-N 3.45Å; L1752-A1755 PolarHBondContact O-N 3.25Å; A1755-H1758 PolarHBondContact O-N 3.31Å; A1755-S1759 VanDerWaalsContact O-CB 3.31Å; A1755-S1759 WeakPolarHBondContact O-CB 3.35Å; A1755-S1759 PolarHBondContact O-N 2.8Å; A1755-S1759 PolarHBondContact O-OG 3.21Å |
| 1756 | I | 81.5 | Confident | 83.4 | Confident | 64 Ų | 64 | 55.4 Ų | 55.4 | 33% | 0.328 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.5 | -39.3 | 175.7 | -68.6 | 168.8 | 0 | 0 | 0 | 111.1 | L1752 K1753 S1759 N1760 L1782 | L1752-I1756 HydrophobicContact CD1-CD1 3.99Å; L1752-I1756 HydrophobicContact CD1-CG1 4.2Å; L1752-I1756 HydrophobicContact CG-CD1 3.97Å; L1752-I1756 VanDerWaalsContact O-CG1 3.31Å; L1752-I1756 WeakPolarHBondContact O-CG1 3.25Å; L1752-I1756 PolarHBondContact O-N 2.99Å; K1753-I1756 PolarHBondContact O-N 3.38Å; I1756-S1759 WeakPolarHBondContact CA-OG 3.26Å; I1756-S1759 PolarHBondContact O-OG 3.4Å; I1756-N1760 WeakPolarHBondContact O-CB 3.36Å; I1756-N1760 PolarHBondContact O-N 2.93Å; I1756-N1760 VanDerWaalsContact O-N 3.07Å; I1756-N1760 PolarHBondContact O-ND2 3.02Å; I1756-L1782 HydrophobicContact CD1-CD1 4.33Å; I1756-L1782 HydrophobicContact CG1-CD1 4.15Å |
| 1757 | S | 81.6 | Confident | 83.2 | Confident | 80 Ų | 80 | 59.2 Ų | 59.2 | 56% | 0.559 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -64 | -45.6 | 175 | -174.4 | 0 | 0 | 0 | 0 | 110.9 | K1753 E1754 N1760 F1761 | K1753-S1757 VanDerWaalsContact O-CB 3.32Å; K1753-S1757 WeakPolarHBondContact O-CB 3.49Å; K1753-S1757 PolarHBondContact O-N 3.06Å; E1754-S1757 PolarHBondContact O-N 3.34Å; S1757-N1760 PolarHBondContact O-N 3.38Å; S1757-F1761 WeakPolarHBondContact O-CB 3.44Å; S1757-F1761 PolarHBondContact O-N 3.24Å |
| 1758 | H | 83.4 | Confident | 83.3 | Confident | 23 Ų | 23 | 63.3 Ų | 63.3 | 11% | 0.106 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 177.5 | -177.4 | -138.9 | 0 | 0 | 0 | 112 | L1731 S1747 E1754 A1755 F1761 I1762 | L1731-H1758 PolarHBondContact O-NE2 3.4Å; L1731-H1758 VanDerWaalsContact O-NE2 3.15Å; S1747-H1758 PolarHBondContact O-CE1 3.34Å; S1747-H1758 VanDerWaalsContact O-CE1 3.3Å; S1747-H1758 PolarHBondContact O-ND1 3.43Å; S1747-H1758 VanDerWaalsContact O-ND1 3.16Å; E1754-H1758 VanDerWaalsContact O-CB 3.23Å; E1754-H1758 WeakPolarHBondContact O-CB 3.34Å; E1754-H1758 PolarHBondContact O-N 3Å; A1755-H1758 PolarHBondContact O-N 3.31Å; H1758-F1761 WeakPolarHBondContact O-CB 3.43Å; H1758-F1761 PolarHBondContact O-N 3.22Å; H1758-I1762 WeakPolarHBondContact O-CD1 3.48Å; H1758-I1762 VanDerWaalsContact O-CG1 3.24Å; H1758-I1762 WeakPolarHBondContact O-CG1 3.23Å; H1758-I1762 PolarHBondContact O-N 3.46Å |
| 1759 | S | 82.7 | Confident | 83.5 | Confident | 4 Ų | 4 | 64.4 Ų | 64.4 | 3% | 0.028 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 177.1 | 71.1 | 0 | 0 | 0 | 0 | 112.2 | I1603 A1755 I1756 F1761 I1762 V1763 | I1603-S1759 VanDerWaalsContact CD1-CB 3.48Å; A1755-S1759 VanDerWaalsContact O-CB 3.31Å; A1755-S1759 WeakPolarHBondContact O-CB 3.35Å; A1755-S1759 PolarHBondContact O-N 2.8Å; A1755-S1759 PolarHBondContact O-OG 3.21Å; I1756-S1759 WeakPolarHBondContact CA-OG 3.26Å; I1756-S1759 PolarHBondContact O-OG 3.4Å; S1759-F1761 VanDerWaalsContact C-N 3.31Å; S1759-F1761 PolarHBondContact O-N 3.45Å; S1759-I1762 PolarHBondContact O-N 3.26Å; S1759-V1763 WeakPolarHBondContact O-CG2 3.29Å; S1759-V1763 PolarHBondContact O-N 3.4Å |
| 1760 | N | 86 | Confident | 83.4 | Confident | 72 Ų | 72 | 61 Ų | 61 | 39% | 0.385 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.9 | -38 | 174 | -76.9 | -55 | 0 | 0 | 0 | 111.9 | I1756 S1757 K1764 | I1756-N1760 WeakPolarHBondContact O-CB 3.36Å; I1756-N1760 PolarHBondContact O-N 2.93Å; I1756-N1760 VanDerWaalsContact O-N 3.07Å; I1756-N1760 PolarHBondContact O-ND2 3.02Å; S1757-N1760 PolarHBondContact O-N 3.38Å; N1760-K1764 WeakPolarHBondContact O-CB 3.4Å; N1760-K1764 VanDerWaalsContact O-CG 3.31Å; N1760-K1764 WeakPolarHBondContact O-CG 3.15Å; N1760-K1764 PolarHBondContact O-N 3.01Å |
| 1761 | F | 88.3 | Confident | 83.6 | Confident | 112 Ų | 112 | 59.8 Ų | 59.8 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 173.2 | 169 | -98.6 | 0 | 0 | 0 | 111.6 | L1731 S1757 H1758 S1759 K1764 S1765 | L1731-F1761 HydrophobicContact CD2-CE1 4.19Å; S1757-F1761 WeakPolarHBondContact O-CB 3.44Å; S1757-F1761 PolarHBondContact O-N 3.24Å; H1758-F1761 WeakPolarHBondContact O-CB 3.43Å; H1758-F1761 PolarHBondContact O-N 3.22Å; S1759-F1761 VanDerWaalsContact C-N 3.31Å; S1759-F1761 PolarHBondContact O-N 3.45Å; F1761-K1764 PolarHBondContact O-N 3.04Å; F1761-S1765 WeakPolarHBondContact CE2-OG 2.86Å; F1761-S1765 WeakPolarHBondContact CZ-OG 3.48Å; F1761-S1765 WeakPolarHBondContact O-CB 3.49Å; F1761-S1765 PolarHBondContact O-N 3.46Å; F1761-S1765 PolarHBondContact O-OG 3.43Å |
| 1762 | I | 86.2 | Confident | 84.3 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.3 | -50.6 | 176.7 | -71 | 158.5 | 0 | 0 | 0 | 110.5 | L1728 L1731 A1733 H1758 S1759 K1764 S1765 L1766 | L1728-I1762 HydrophobicContact CD2-CG2 3.4Å; L1731-I1762 HydrophobicContact CB-CG1 4.42Å; L1731-I1762 HydrophobicContact CD1-CG2 4.43Å; A1733-I1762 HydrophobicContact CB-CD1 3.6Å; A1733-I1762 HydrophobicContact CB-CG1 4.47Å; H1758-I1762 WeakPolarHBondContact O-CD1 3.48Å; H1758-I1762 VanDerWaalsContact O-CG1 3.24Å; H1758-I1762 WeakPolarHBondContact O-CG1 3.23Å; H1758-I1762 PolarHBondContact O-N 3.46Å; S1759-I1762 PolarHBondContact O-N 3.26Å; I1762-K1764 PolarHBondContact O-N 3.36Å; I1762-S1765 PolarHBondContact O-N 3.08Å; I1762-L1766 HydrophobicContact CG2-CD1 3.98Å; I1762-L1766 HydrophobicContact CG2-CG 4.44Å; I1762-L1766 WeakPolarHBondContact O-CG 3.42Å; I1762-L1766 PolarHBondContact O-N 2.86Å |
| 1763 | V | 87.8 | Confident | 84.6 | Confident | 15 Ų | 15 | 56.7 Ų | 56.7 | 9% | 0.091 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.9 | -48.9 | -179.3 | 171 | 0 | 0 | 0 | 0 | 110.5 | L1605 S1759 S1765 L1766 Q1767 L1777 | L1605-V1763 HydrophobicContact CD2-CG2 4.33Å; S1759-V1763 WeakPolarHBondContact O-CG2 3.29Å; S1759-V1763 PolarHBondContact O-N 3.4Å; V1763-S1765 PolarHBondContact O-N 3.21Å; V1763-L1766 PolarHBondContact O-N 2.96Å; V1763-Q1767 HydrophobicContact CG1-CG 4.49Å; V1763-Q1767 WeakPolarHBondContact O-CB 3.19Å; V1763-Q1767 VanDerWaalsContact O-CG 3.27Å; V1763-Q1767 WeakPolarHBondContact O-CG 3.34Å; V1763-Q1767 PolarHBondContact O-N 3.37Å; V1763-L1777 HydrophobicContact CG1-CB 4.19Å; V1763-L1777 HydrophobicContact CG2-CB 4.31Å |
| 1764 | K | 88.3 | Confident | 84.9 | Confident | 146 Ų | 146 | 51 Ų | 51 | 64% | 0.635 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -63.3 | -40.6 | 177.6 | -72.5 | 179.2 | -179.4 | -178.9 | 0 | 112.6 | N1760 F1761 I1762 Q1767 A1768 | N1760-K1764 WeakPolarHBondContact O-CB 3.4Å; N1760-K1764 VanDerWaalsContact O-CG 3.31Å; N1760-K1764 WeakPolarHBondContact O-CG 3.15Å; N1760-K1764 PolarHBondContact O-N 3.01Å; F1761-K1764 PolarHBondContact O-N 3.04Å; I1762-K1764 PolarHBondContact O-N 3.36Å; K1764-Q1767 PolarHBondContact O-N 3.06Å; K1764-A1768 WeakPolarHBondContact O-CB 3.2Å; K1764-A1768 PolarHBondContact O-N 3.18Å |
| 1765 | S | 90.7 | Very high | 85.2 | Confident | 28 Ų | 28 | 46.1 Ų | 46.1 | 20% | 0.196 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.1 | -38.5 | -179.3 | -62.1 | 0 | 0 | 0 | 0 | 112.3 | F1761 I1762 V1763 | F1761-S1765 WeakPolarHBondContact CE2-OG 2.86Å; F1761-S1765 WeakPolarHBondContact CZ-OG 3.48Å; F1761-S1765 WeakPolarHBondContact O-CB 3.49Å; F1761-S1765 PolarHBondContact O-N 3.46Å; F1761-S1765 PolarHBondContact O-OG 3.43Å; I1762-S1765 PolarHBondContact O-N 3.08Å; V1763-S1765 PolarHBondContact O-N 3.21Å |
| 1766 | L | 87.8 | Confident | 85.3 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.1 | -49.1 | 172.8 | -72.1 | 175.2 | 0 | 0 | 0 | 110.6 | M1724 D1727 L1728 L1731 I1762 V1763 A1768 K1769 F1772 L1777 | M1724-L1766 HydrophobicContact CG-CD1 4.27Å; M1724-L1766 HydrophobicContact SD-CD1 4.48Å; D1727-L1766 HydrophobicContact CB-CD2 4.03Å; L1728-L1766 HydrophobicContact CD2-CD1 3.65Å; L1728-L1766 HydrophobicContact CG-CD1 4.09Å; L1731-L1766 HydrophobicContact CD1-CD2 4.02Å; L1731-L1766 HydrophobicContact CD1-CG 4.05Å; I1762-L1766 HydrophobicContact CG2-CD1 3.98Å; I1762-L1766 HydrophobicContact CG2-CG 4.44Å; I1762-L1766 WeakPolarHBondContact O-CG 3.42Å; I1762-L1766 PolarHBondContact O-N 2.86Å; V1763-L1766 PolarHBondContact O-N 2.96Å; L1766-A1768 PolarHBondContact O-N 3.04Å; L1766-K1769 WeakPolarHBondContact O-CB 3.33Å; L1766-K1769 PolarHBondContact O-N 3.29Å; L1766-F1772 HydrophobicContact CB-CD2 4.34Å; L1766-F1772 HydrophobicContact CD2-CD2 3.74Å; L1766-F1772 HydrophobicContact CD2-CE2 3.83Å; L1766-F1772 WeakPolarHBondContact O-CB 3.41Å; L1766-L1777 HydrophobicContact CB-CD1 4.13Å; L1766-L1777 HydrophobicContact CD1-CD1 3.72Å |
| 1767 | Q | 86.2 | Confident | 85.5 | Confident | 81 Ų | 81 | 44.7 Ų | 44.7 | 38% | 0.379 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.1 | -24.2 | -179.9 | -73.9 | 176.3 | -24.6 | 0 | 0 | 113.7 | V1763 K1764 K1769 | V1763-Q1767 HydrophobicContact CG1-CG 4.49Å; V1763-Q1767 WeakPolarHBondContact O-CB 3.19Å; V1763-Q1767 VanDerWaalsContact O-CG 3.27Å; V1763-Q1767 WeakPolarHBondContact O-CG 3.34Å; V1763-Q1767 PolarHBondContact O-N 3.37Å; K1764-Q1767 PolarHBondContact O-N 3.06Å; Q1767-K1769 VanDerWaalsContact C-N 3.29Å |
| 1768 | A | 87 | Confident | 85.6 | Confident | 86 Ų | 86 | 44.8 Ų | 44.8 | 71% | 0.711 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -19.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | K1764 L1766 | K1764-A1768 WeakPolarHBondContact O-CB 3.2Å; K1764-A1768 PolarHBondContact O-N 3.18Å; L1766-A1768 PolarHBondContact O-N 3.04Å |
| 1769 | K | 86.9 | Confident | 85.5 | Confident | 67 Ų | 67 | 46.8 Ų | 46.8 | 29% | 0.291 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -82.5 | 134.3 | 175.6 | -60.9 | -171.1 | -179.3 | -169 | 0 | 110.2 | D1727 L1766 Q1767 E1771 F1772 S1773 | D1727-K1769 IonicContact OD2-NZ 4Å; D1727-K1769 PolarHBondContact OD2-NZ 3.4Å; L1766-K1769 WeakPolarHBondContact O-CB 3.33Å; L1766-K1769 PolarHBondContact O-N 3.29Å; Q1767-K1769 VanDerWaalsContact C-N 3.29Å; K1769-E1771 VanDerWaalsContact C-N 3.28Å; K1769-E1771 HydrophobicContact CB-CG 4.31Å; K1769-E1771 PolarHBondContact O-N 3.32Å; K1769-F1772 HydrophobicContact CB-CD2 3.98Å; K1769-F1772 HydrophobicContact CD-CD2 4.16Å; K1769-F1772 HydrophobicContact CD-CE2 4.04Å; K1769-F1772 PolarHBondContact O-N 2.82Å; K1769-F1772 VanDerWaalsContact O-N 3.09Å; K1769-S1773 PolarHBondContact O-N 3.18Å |
| 1770 | A | 79.5 | Confident | 85.4 | Confident | 45 Ų | 45 | 50.6 Ų | 50.6 | 37% | 0.372 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -55.8 | -43.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1772 S1773 | A1770-F1772 VanDerWaalsContact C-N 3.29Å; A1770-F1772 PolarHBondContact O-N 3.37Å; A1770-S1773 PolarHBondContact O-N 3.21Å; A1770-S1773 PolarHBondContact O-OG 2.95Å |
| 1771 | E | 82.6 | Confident | 85.4 | Confident | 20 Ų | 20 | 52.1 Ų | 52.1 | 9% | 0.093 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -62.1 | -27.2 | 179.5 | 54.4 | -95.8 | -134.9 | 0 | 0 | 114.8 | Q1624 L1720 M1723 K1769 | Q1624-E1771 PolarHBondContact NE2-OE1 2.83Å; L1720-E1771 HydrophobicContact CD1-CB 4.28Å; M1723-E1771 HydrophobicContact CE-CB 4.17Å; M1723-E1771 HydrophobicContact CE-CG 3.96Å; K1769-E1771 VanDerWaalsContact C-N 3.28Å; K1769-E1771 HydrophobicContact CB-CG 4.31Å; K1769-E1771 PolarHBondContact O-N 3.32Å |
| 1772 | F | 88.5 | Confident | 85.1 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.009 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -109.9 | -4.4 | -179.7 | -49.3 | -50.9 | 0 | 0 | 0 | 113.8 | L1720 M1723 M1724 D1727 L1766 K1769 A1770 L1774 I1775 | L1720-F1772 HydrophobicContact CD1-CD1 3.74Å; L1720-F1772 HydrophobicContact CD1-CE1 3.57Å; L1720-F1772 HydrophobicContact CG-CD1 4.47Å; L1720-F1772 HydrophobicContact CG-CE1 4.35Å; M1723-F1772 HydrophobicContact CB-CE1 4.27Å; M1723-F1772 HydrophobicContact CB-CZ 4.03Å; M1724-F1772 HydrophobicContact CB-CD1 4.28Å; M1724-F1772 HydrophobicContact CB-CE1 3.68Å; M1724-F1772 HydrophobicContact CB-CZ 3.96Å; M1724-F1772 HydrophobicContact CG-CE1 4.41Å; D1727-F1772 HydrophobicContact CB-CE2 4.23Å; D1727-F1772 WeakPolarHBondContact OD2-CE2 3.42Å; L1766-F1772 HydrophobicContact CB-CD2 4.34Å; L1766-F1772 HydrophobicContact CD2-CD2 3.74Å; L1766-F1772 HydrophobicContact CD2-CE2 3.83Å; L1766-F1772 WeakPolarHBondContact O-CB 3.41Å; K1769-F1772 HydrophobicContact CB-CD2 3.98Å; K1769-F1772 HydrophobicContact CD-CD2 4.16Å; K1769-F1772 HydrophobicContact CD-CE2 4.04Å; K1769-F1772 PolarHBondContact O-N 2.82Å; K1769-F1772 VanDerWaalsContact O-N 3.09Å; A1770-F1772 VanDerWaalsContact C-N 3.29Å; A1770-F1772 PolarHBondContact O-N 3.37Å; F1772-L1774 PolarHBondContact O-N 2.79Å; F1772-L1774 VanDerWaalsContact O-N 3.09Å; F1772-I1775 HydrophobicContact CB-CD1 4.33Å; F1772-I1775 HydrophobicContact CD1-CD1 3.9Å; F1772-I1775 WeakPolarHBondContact O-CB 3.28Å; F1772-I1775 PolarHBondContact O-N 2.94Å |
| 1773 | S | 82.9 | Confident | 85.2 | Confident | 59 Ų | 59 | 47.9 Ų | 47.9 | 41% | 0.413 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -30.2 | -175.9 | 61.8 | 0 | 0 | 0 | 0 | 114.7 | K1769 A1770 | K1769-S1773 PolarHBondContact O-N 3.18Å; A1770-S1773 PolarHBondContact O-N 3.21Å; A1770-S1773 PolarHBondContact O-OG 2.95Å |
| 1774 | L | 83.8 | Confident | 85.1 | Confident | 60 Ų | 60 | 48.8 Ų | 48.8 | 31% | 0.314 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -5.5 | 179.3 | -64.2 | 172.9 | 0 | 0 | 0 | 113.5 | A1613 L1616 Q1617 L1675 F1772 | A1613-L1774 HydrophobicContact CB-CB 3.95Å; L1616-L1774 HydrophobicContact CB-CD1 3.75Å; L1616-L1774 HydrophobicContact CD1-CD1 3.65Å; L1616-L1774 HydrophobicContact CG-CD1 4.35Å; Q1617-L1774 HydrophobicContact CG-CD1 4.39Å; L1675-L1774 HydrophobicContact CD2-CD2 4.26Å; F1772-L1774 PolarHBondContact O-N 2.79Å; F1772-L1774 VanDerWaalsContact O-N 3.09Å |
| 1775 | I | 86.6 | Confident | 85 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.015 | 24% | 0.235 | C | C | . | . | trans | -85.5 | 120.4 | 178.9 | -57.4 | -178.7 | 0 | 0 | 0 | 108.8 | V1607 F1610 A1613 L1720 F1772 L1777 | V1607-I1775 HydrophobicContact CG1-CG2 3.39Å; F1610-I1775 HydrophobicContact CD1-CD1 4.37Å; F1610-I1775 HydrophobicContact CE1-CD1 4.31Å; A1613-I1775 HydrophobicContact CB-CD1 4.33Å; A1613-I1775 HydrophobicContact CB-CG1 3.57Å; L1720-I1775 HydrophobicContact CD2-CD1 3.93Å; L1720-I1775 HydrophobicContact CG-CD1 4.23Å; F1772-I1775 HydrophobicContact CB-CD1 4.33Å; F1772-I1775 HydrophobicContact CD1-CD1 3.9Å; F1772-I1775 WeakPolarHBondContact O-CB 3.28Å; F1772-I1775 PolarHBondContact O-N 2.94Å; I1775-L1777 HydrophobicContact CG2-CD2 4.05Å; I1775-L1777 HydrophobicContact CG2-CG 4.23Å; I1775-L1777 PolarHBondContact O-N 2.99Å | ||
| 1776 | G | 83.3 | Confident | 85.1 | Confident | 23 Ų | 23 | 40.5 Ų | 40.5 | 24% | 0.237 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 121.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | V1607 C1608 | V1607-G1776 WeakPolarHBondContact CA-O 3.22Å; C1608-G1776 PolarHBondContact N-O 3.45Å; C1608-G1776 PolarHBondContact O-N 3.28Å; C1608-G1776 VanDerWaalsContact O-N 3.13Å |
| 1777 | L | 86 | Confident | 85.2 | Confident | 10 Ų | 10 | 40.9 Ų | 40.9 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 104.4 | 176 | -66.2 | 174.8 | 0 | 0 | 0 | 108.9 | E1606 V1607 M1724 V1763 L1766 I1775 | E1606-L1777 WeakPolarHBondContact O-CA 3.3Å; V1607-L1777 HydrophobicContact CB-CD2 4.41Å; V1607-L1777 HydrophobicContact CG1-CD2 3.99Å; V1607-L1777 HydrophobicContact CG2-CD2 3.91Å; M1724-L1777 HydrophobicContact SD-CD2 4.22Å; V1763-L1777 HydrophobicContact CG1-CB 4.19Å; V1763-L1777 HydrophobicContact CG2-CB 4.31Å; L1766-L1777 HydrophobicContact CB-CD1 4.13Å; L1766-L1777 HydrophobicContact CD1-CD1 3.72Å; I1775-L1777 HydrophobicContact CG2-CD2 4.05Å; I1775-L1777 HydrophobicContact CG2-CG 4.23Å; I1775-L1777 PolarHBondContact O-N 2.99Å |
| 1778 | N | 82.9 | Confident | 85.5 | Confident | 83 Ų | 83 | 37.2 Ų | 37.2 | 44% | 0.444 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 126.1 | -176.9 | -59.3 | -37.9 | 0 | 0 | 0 | 110.1 | L1605 E1606 I1780 | L1605-N1778 CarbonylContact C-O 3.54Å; L1605-N1778 VanDerWaalsContact CA-O 3.31Å; L1605-N1778 WeakPolarHBondContact CA-O 3.5Å; E1606-N1778 HydrophobicContact CB-CB 4.13Å; E1606-N1778 PolarHBondContact N-O 2.84Å; E1606-N1778 PolarHBondContact O-N 3.46Å; N1778-I1780 PolarHBondContact O-N 3.32Å |
| 1779 | I | 81.4 | Confident | 85.4 | Confident | 64 Ų | 64 | 34.3 Ų | 34.3 | 33% | 0.328 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 118.2 | 173.1 | -61.4 | 165.5 | 0 | 0 | 0 | 108.4 | I1603 L1605 L1782 | I1603-I1779 HydrophobicContact CG2-CG1 4.03Å; I1603-I1779 HydrophobicContact CG2-CG2 3.87Å; L1605-I1779 HydrophobicContact CD2-CB 4.26Å; L1605-I1779 HydrophobicContact CD2-CG1 3.44Å; L1605-I1779 VanDerWaalsContact CD2-CG1 3.44Å; I1779-L1782 HydrophobicContact CG2-CG 4.49Å |
| 1780 | I | 81.3 | Confident | 85.2 | Confident | 84 Ų | 84 | 32.1 Ų | 32.1 | 43% | 0.431 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | -42.6 | 178 | -39.9 | 177.1 | 0 | 0 | 0 | 110.8 | E1604 E1606 N1778 | E1604-I1780 PolarHBondContact O-N 3.37Å; E1606-I1780 HydrophobicContact CB-CD1 3.43Å; E1606-I1780 VanDerWaalsContact CB-CD1 3.43Å; E1606-I1780 HydrophobicContact CB-CG1 3.71Å; E1606-I1780 HydrophobicContact CG-CD1 3.84Å; N1778-I1780 PolarHBondContact O-N 3.32Å |
| 1781 | R | 85.1 | Confident | 85.2 | Confident | 105 Ų | 105 | 32.6 Ų | 32.6 | 40% | 0.396 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 154.5 | -174.6 | -59.7 | -176.7 | 170.2 | 168.4 | -4 | 112.5 | E1604 E1798 | E1604-R1781 HydrophobicContact CB-CB 4.02Å; E1604-R1781 PolarHBondContact N-O 2.9Å; E1604-R1781 PolarHBondContact O-N 3.33Å; R1781-E1798 VanDerWaalsContact CD-OE1 3.25Å; R1781-E1798 WeakPolarHBondContact CD-OE1 3.37Å; R1781-E1798 WeakPolarHBondContact CG-OE1 3.31Å; R1781-E1798 IonicContact NE-OE1 3.65Å; R1781-E1798 PolarHBondContact NE-OE1 2.94Å |
| 1782 | L | 83 | Confident | 85.1 | Confident | 7 Ų | 7 | 34.7 Ų | 34.7 | 4% | 0.037 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 135.5 | 174.4 | -74.2 | 154.5 | 0 | 0 | 0 | 108.2 | V1601 C1602 I1603 I1756 I1779 E1798 I1799 | V1601-L1782 HydrophobicContact CG1-CD2 4.24Å; C1602-L1782 CarbonylContact O-C 3.58Å; I1603-L1782 HydrophobicContact CB-CD2 4.21Å; I1603-L1782 HydrophobicContact CG1-CD2 3.48Å; I1603-L1782 VanDerWaalsContact CG1-CD2 3.48Å; I1603-L1782 HydrophobicContact CG2-CD2 4.21Å; I1756-L1782 HydrophobicContact CD1-CD1 4.33Å; I1756-L1782 HydrophobicContact CG1-CD1 4.15Å; I1779-L1782 HydrophobicContact CG2-CG 4.49Å; L1782-E1798 CarbonylContact O-C 3.26Å; L1782-E1798 WeakPolarHBondContact O-CA 3.47Å; L1782-I1799 HydrophobicContact CB-CB 3.99Å; L1782-I1799 HydrophobicContact CB-CD1 4.28Å; L1782-I1799 HydrophobicContact CB-CG1 4.42Å; L1782-I1799 PolarHBondContact O-N 2.89Å |
| 1783 | W | 88.7 | Confident | 84.8 | Confident | 16 Ų | 16 | 38.7 Ų | 38.7 | 6% | 0.061 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 120.7 | -179.1 | -61.2 | 92.4 | 0 | 0 | 0 | 108.7 | V1601 C1602 E1604 L1786 F1794 I1797 E1798 | V1601-W1783 CarbonylContact C-O 3.51Å; V1601-W1783 VanDerWaalsContact CA-O 3.3Å; V1601-W1783 WeakPolarHBondContact CA-O 3.47Å; C1602-W1783 HydrophobicContact CB-CB 4.16Å; C1602-W1783 PolarHBondContact N-O 3.49Å; C1602-W1783 PolarHBondContact O-N 3.3Å; E1604-W1783 PolarHBondContact OE2-NE1 2.93Å; W1783-L1786 HydrophobicContact CB-CB 4.16Å; W1783-L1786 HydrophobicContact CD2-CD1 4.06Å; W1783-L1786 HydrophobicContact CE3-CD1 4.17Å; W1783-L1786 HydrophobicContact CG-CD1 4.29Å; W1783-L1786 HydrophobicContact CG-CD2 4.48Å; W1783-F1794 AromaticContact CH2-CE2 3.96Å; W1783-F1794 HydrophobicContact CH2-CE2 3.96Å; W1783-F1794 AromaticContact CZ2-CE2 3.95Å; W1783-F1794 HydrophobicContact CZ2-CE2 3.95Å; W1783-I1797 CarbonylContact C-O 2.98Å; W1783-I1797 WeakPolarHBondContact CA-O 3.4Å; W1783-E1798 HydrophobicContact CE3-CB 4.11Å; W1783-E1798 HydrophobicContact CH2-CB 4.34Å; W1783-E1798 HydrophobicContact CZ3-CB 3.93Å |
| 1784 | K | 84.1 | Confident | 85 | Confident | 34 Ų | 34 | 39.9 Ų | 39.9 | 15% | 0.148 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | -38.7 | 178.9 | -172.9 | 57.2 | 171.8 | -179.3 | 0 | 111.8 | V1601 L1750 I1797 I1799 | V1601-K1784 HydrophobicContact CG2-CD 3.91Å; L1750-K1784 PolarHBondContact O-NZ 3.12Å; K1784-I1797 HydrophobicContact CB-CG2 4.47Å; K1784-I1797 PolarHBondContact N-O 2.86Å; K1784-I1799 HydrophobicContact CB-CD1 3.87Å; K1784-I1799 HydrophobicContact CB-CG1 3.87Å; K1784-I1799 HydrophobicContact CD-CD1 4.19Å |
| 1785 | V | 87.7 | Confident | 85.1 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 140.2 | 172.8 | -120.2 | 0 | 0 | 0 | 0 | 107 | F1597 W1598 K1599 G1796 I1797 H1825 L1828 | F1597-V1785 HydrophobicContact CE2-CB 4.35Å; F1597-V1785 HydrophobicContact CE2-CG1 3.95Å; F1597-V1785 HydrophobicContact CZ-CG1 3.97Å; W1598-V1785 WeakPolarHBondContact O-CA 3.44Å; K1599-V1785 HydrophobicContact CB-CG1 4.41Å; V1785-G1796 CarbonylContact O-C 3.57Å; V1785-G1796 WeakPolarHBondContact O-CA 3.39Å; V1785-I1797 HydrophobicContact CG2-CB 4.32Å; V1785-I1797 HydrophobicContact CG2-CD1 4.11Å; V1785-I1797 HydrophobicContact CG2-CG1 4.45Å; V1785-I1797 PolarHBondContact O-N 2.79Å; V1785-H1825 HydrophobicContact CG2-CB 3.82Å; V1785-L1828 HydrophobicContact CG1-CD1 4.37Å |
| 1786 | L | 91.3 | Very high | 85.1 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 112.4 | -176.7 | -178.1 | 64.1 | 0 | 0 | 0 | 110.8 | W1598 C1602 V1736 I1744 W1783 W1788 F1794 | W1598-L1786 HydrophobicContact CB-CB 4.36Å; W1598-L1786 WeakPolarHBondContact CB-O 3.29Å; W1598-L1786 PolarHBondContact N-O 3.39Å; W1598-L1786 PolarHBondContact O-N 2.87Å; C1602-L1786 HydrophobicContact CB-CB 4.49Å; C1602-L1786 HydrophobicContact CB-CD2 4.13Å; V1736-L1786 HydrophobicContact CG1-CD2 4.38Å; I1744-L1786 HydrophobicContact CG2-CD2 3.91Å; W1783-L1786 HydrophobicContact CB-CB 4.16Å; W1783-L1786 HydrophobicContact CD2-CD1 4.06Å; W1783-L1786 HydrophobicContact CE3-CD1 4.17Å; W1783-L1786 HydrophobicContact CG-CD1 4.29Å; W1783-L1786 HydrophobicContact CG-CD2 4.48Å; L1786-W1788 HydrophobicContact CD1-CE3 4.22Å; L1786-W1788 HydrophobicContact CD2-CB 4.48Å; L1786-W1788 HydrophobicContact CD2-CE3 4Å; L1786-W1788 HydrophobicContact CG-CB 4.26Å; L1786-W1788 HydrophobicContact CG-CE3 4.33Å; L1786-F1794 HydrophobicContact CD1-CD2 4.11Å |
| 1787 | L | 90.6 | Very high | 85.1 | Confident | 10 Ų | 10 | 39 Ų | 39 | 5% | 0.052 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 108.4 | 165.7 | -175.4 | 67.8 | 0 | 0 | 0 | 108.7 | F1597 F1794 G1795 I1817 I1821 V1921 M1924 | F1597-L1787 HydrophobicContact CB-CD1 3.64Å; F1597-L1787 HydrophobicContact CD2-CB 3.77Å; F1597-L1787 HydrophobicContact CD2-CD1 3.81Å; F1597-L1787 HydrophobicContact CD2-CG 4.4Å; F1597-L1787 HydrophobicContact CE2-CB 4.2Å; F1597-L1787 HydrophobicContact CG-CD1 3.91Å; L1787-F1794 CarbonylContact O-C 3.58Å; L1787-F1794 VanDerWaalsContact O-CA 3.29Å; L1787-F1794 WeakPolarHBondContact O-CA 3.48Å; L1787-G1795 WeakPolarHBondContact CA-O 3.33Å; L1787-G1795 WeakPolarHBondContact CB-O 3.4Å; L1787-G1795 PolarHBondContact N-O 3.05Å; L1787-G1795 PolarHBondContact O-N 3.03Å; L1787-I1817 HydrophobicContact CD2-CG2 3.41Å; L1787-I1817 VanDerWaalsContact CD2-CG2 3.41Å; L1787-I1821 HydrophobicContact CB-CD1 3.79Å; L1787-I1821 HydrophobicContact CB-CG1 4.12Å; L1787-I1821 HydrophobicContact CD2-CD1 3.92Å; L1787-I1821 HydrophobicContact CD2-CG1 4.22Å; L1787-V1921 HydrophobicContact CD2-CG1 3.62Å; L1787-V1921 HydrophobicContact CG-CG1 4.49Å; L1787-M1924 HydrophobicContact CD1-CB 3.9Å |
| 1788 | W | 91.7 | Very high | 84.9 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.015 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 124.8 | -173.4 | -172.9 | -90.6 | 0 | 0 | 0 | 110.8 | N1593 P1595 A1596 V1736 H1737 I1744 L1786 F1794 | N1593-W1788 PolarHBondContact OD1-NE1 2.66Å; P1595-W1788 CarbonylContact C-O 3.5Å; P1595-W1788 WeakPolarHBondContact CA-O 3.4Å; A1596-W1788 PolarHBondContact N-O 2.87Å; A1596-W1788 PolarHBondContact O-N 3.26Å; V1736-W1788 HydrophobicContact CG1-CB 4.03Å; V1736-W1788 HydrophobicContact CG1-CD2 4.25Å; V1736-W1788 HydrophobicContact CG1-CG 3.8Å; H1737-W1788 HydrophobicContact CB-CH2 4.24Å; H1737-W1788 HydrophobicContact CB-CZ2 3.47Å; H1737-W1788 VanDerWaalsContact CB-CZ2 3.47Å; H1737-W1788 AromaticContact CD2-CH2 3.85Å; H1737-W1788 AromaticContact CD2-CZ2 3.44Å; H1737-W1788 VanDerWaalsContact CD2-CZ2 3.44Å; H1737-W1788 WeakPolarHBondContact CD2-CZ2 3.36Å; H1737-W1788 AromaticContact CG-CE2 3.94Å; H1737-W1788 AromaticContact CG-CZ2 3.33Å; H1737-W1788 AromaticContact ND1-CZ2 3.92Å; I1744-W1788 HydrophobicContact CD1-CE3 4.03Å; I1744-W1788 HydrophobicContact CD1-CH2 3.57Å; I1744-W1788 HydrophobicContact CD1-CZ2 4.34Å; I1744-W1788 HydrophobicContact CD1-CZ3 3.38Å; L1786-W1788 HydrophobicContact CD1-CE3 4.22Å; L1786-W1788 HydrophobicContact CD2-CB 4.48Å; L1786-W1788 HydrophobicContact CD2-CE3 4Å; L1786-W1788 HydrophobicContact CG-CB 4.26Å; L1786-W1788 HydrophobicContact CG-CE3 4.33Å; W1788-F1794 HydrophobicContact CD2-CB 4.03Å; W1788-F1794 HydrophobicContact CE3-CB 3.33Å; W1788-F1794 HydrophobicContact CE3-CD1 4.14Å; W1788-F1794 HydrophobicContact CE3-CD2 4.07Å; W1788-F1794 AromaticContact CE3-CG 3.59Å; W1788-F1794 HydrophobicContact CE3-CG 3.59Å; W1788-F1794 AromaticContact CH2-CD1 3.99Å; W1788-F1794 HydrophobicContact CH2-CD1 3.99Å; W1788-F1794 HydrophobicContact CH2-CE1 4.41Å; W1788-F1794 HydrophobicContact CH2-CG 4.26Å; W1788-F1794 HydrophobicContact CZ3-CB 3.69Å; W1788-F1794 AromaticContact CZ3-CD1 3.54Å; W1788-F1794 HydrophobicContact CZ3-CD1 3.54Å; W1788-F1794 AromaticContact CZ3-CD2 3.79Å; W1788-F1794 HydrophobicContact CZ3-CD2 3.79Å; W1788-F1794 HydrophobicContact CZ3-CE1 4.1Å; W1788-F1794 HydrophobicContact CZ3-CE2 4.31Å; W1788-F1794 AromaticContact CZ3-CG 3.37Å; W1788-F1794 HydrophobicContact CZ3-CG 3.37Å; W1788-F1794 HydrophobicContact CZ3-CZ 4.45Å |
| 1789 | V | 85.5 | Confident | 84.4 | Confident | 25 Ų | 25 | 40 Ų | 40 | 15% | 0.152 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | -55.6 | 169.6 | -175.2 | 0 | 0 | 0 | 0 | 109.8 | N1593 P1595 N1793 M1924 | N1593-V1789 PolarHBondContact ND2-O 2.79Å; P1595-V1789 WeakPolarHBondContact CG-O 3.38Å; V1789-N1793 WeakPolarHBondContact CA-O 3.47Å; V1789-N1793 HydrophobicContact CB-CB 4.17Å; V1789-N1793 VanDerWaalsContact CB-O 3.23Å; V1789-N1793 WeakPolarHBondContact CB-O 3.49Å; V1789-N1793 PolarHBondContact N-O 3.16Å; V1789-M1924 HydrophobicContact CG2-CG 4.34Å |
| 1790 | D | 83.6 | Confident | 83.2 | Confident | 21 Ų | 21 | 39.2 Ų | 39.2 | 11% | 0.112 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | -177.9 | 173.1 | 64.5 | 33.9 | 0 | 0 | 0 | 110.9 | N1792 N1793 R1981 | D1790-N1792 PolarHBondContact O-N 3.45Å; D1790-N1792 VanDerWaalsContact O-N 3.07Å; D1790-N1792 PolarHBondContact OD1-N 2.68Å; D1790-N1793 PolarHBondContact N-O 3.2Å; D1790-N1793 CarbonylContact O-C 3.53Å; D1790-N1793 PolarHBondContact O-N 2.87Å; D1790-N1793 WeakPolarHBondContact OD1-CB 3.08Å; D1790-N1793 PolarHBondContact OD1-N 3.22Å; D1790-N1793 PolarHBondContact OD1-ND2 3.5Å; D1790-N1793 PolarHBondContact OD2-ND2 3.29Å; D1790-R1981 IonicContact OD2-NH1 2.74Å; D1790-R1981 PolarHBondContact OD2-NH1 3.02Å |
| 1791 | S | 79.5 | Confident | 81.4 | Confident | 55 Ų | 55 | 40.6 Ų | 40.6 | 39% | 0.385 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -15.8 | -177 | 63.9 | 0 | 0 | 0 | 0 | 115.2 | F1794 | S1791-F1794 WeakPolarHBondContact O-CE1 3.47Š|
| 1792 | N | 79.9 | Confident | 79.1 | Confident | 63 Ų | 63 | 38.2 Ų | 38.2 | 34% | 0.337 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | -14.8 | -179.6 | -58.2 | -41.2 | 0 | 0 | 0 | 112 | D1790 R1981 | D1790-N1792 PolarHBondContact O-N 3.45Å; D1790-N1792 VanDerWaalsContact O-N 3.07Å; D1790-N1792 PolarHBondContact OD1-N 2.68Å; N1792-R1981 HydrophobicContact CB-CB 4.42Å; N1792-R1981 WeakPolarHBondContact ND2-CB 3.47Å |
| 1793 | N | 81.8 | Confident | 77.2 | Confident | 86 Ų | 86 | 43.7 Ų | 43.7 | 46% | 0.46 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 85 | -176.8 | -58.2 | -79.5 | 0 | 0 | 0 | 109.8 | V1789 D1790 | V1789-N1793 WeakPolarHBondContact CA-O 3.47Å; V1789-N1793 HydrophobicContact CB-CB 4.17Å; V1789-N1793 VanDerWaalsContact CB-O 3.23Å; V1789-N1793 WeakPolarHBondContact CB-O 3.49Å; V1789-N1793 PolarHBondContact N-O 3.16Å; D1790-N1793 PolarHBondContact N-O 3.2Å; D1790-N1793 CarbonylContact O-C 3.53Å; D1790-N1793 PolarHBondContact O-N 2.87Å; D1790-N1793 WeakPolarHBondContact OD1-CB 3.08Å; D1790-N1793 PolarHBondContact OD1-N 3.22Å; D1790-N1793 PolarHBondContact OD1-ND2 3.5Å; D1790-N1793 PolarHBondContact OD2-ND2 3.29Å |
| 1794 | F | 87.7 | Confident | 74.9 | Confident | 85 Ų | 85 | 49.2 Ų | 49.2 | 37% | 0.373 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 157.7 | 174.9 | 66.3 | -84.5 | 0 | 0 | 0 | 110 | W1783 L1786 L1787 W1788 S1791 | W1783-F1794 AromaticContact CH2-CE2 3.96Å; W1783-F1794 HydrophobicContact CH2-CE2 3.96Å; W1783-F1794 AromaticContact CZ2-CE2 3.95Å; W1783-F1794 HydrophobicContact CZ2-CE2 3.95Å; L1786-F1794 HydrophobicContact CD1-CD2 4.11Å; L1787-F1794 CarbonylContact O-C 3.58Å; L1787-F1794 VanDerWaalsContact O-CA 3.29Å; L1787-F1794 WeakPolarHBondContact O-CA 3.48Å; W1788-F1794 HydrophobicContact CD2-CB 4.03Å; W1788-F1794 HydrophobicContact CE3-CB 3.33Å; W1788-F1794 HydrophobicContact CE3-CD1 4.14Å; W1788-F1794 HydrophobicContact CE3-CD2 4.07Å; W1788-F1794 AromaticContact CE3-CG 3.59Å; W1788-F1794 HydrophobicContact CE3-CG 3.59Å; W1788-F1794 AromaticContact CH2-CD1 3.99Å; W1788-F1794 HydrophobicContact CH2-CD1 3.99Å; W1788-F1794 HydrophobicContact CH2-CE1 4.41Å; W1788-F1794 HydrophobicContact CH2-CG 4.26Å; W1788-F1794 HydrophobicContact CZ3-CB 3.69Å; W1788-F1794 AromaticContact CZ3-CD1 3.54Å; W1788-F1794 HydrophobicContact CZ3-CD1 3.54Å; W1788-F1794 AromaticContact CZ3-CD2 3.79Å; W1788-F1794 HydrophobicContact CZ3-CD2 3.79Å; W1788-F1794 HydrophobicContact CZ3-CE1 4.1Å; W1788-F1794 HydrophobicContact CZ3-CE2 4.31Å; W1788-F1794 AromaticContact CZ3-CG 3.37Å; W1788-F1794 HydrophobicContact CZ3-CG 3.37Å; W1788-F1794 HydrophobicContact CZ3-CZ 4.45Å; S1791-F1794 WeakPolarHBondContact O-CE1 3.47Å |
| 1795 | G | 85.4 | Confident | 72.5 | Confident | 27 Ų | 27 | 50.6 Ų | 50.6 | 28% | 0.278 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 142.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | L1787 | L1787-G1795 WeakPolarHBondContact CA-O 3.33Å; L1787-G1795 WeakPolarHBondContact CB-O 3.4Å; L1787-G1795 PolarHBondContact N-O 3.05Å; L1787-G1795 PolarHBondContact O-N 3.03Å |
| 1796 | G | 86 | Confident | 69.7 | Low | 27 Ų | 27 | 52.8 Ų | 52.8 | 28% | 0.278 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.9 | 177.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1785 | V1785-G1796 CarbonylContact O-C 3.57Å; V1785-G1796 WeakPolarHBondContact O-CA 3.39Å |
| 1797 | I | 84.1 | Confident | 66.7 | Low | 14 Ų | 14 | 57.1 Ų | 57.1 | 7% | 0.072 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 106.7 | 177 | -64.8 | 173.3 | 0 | 0 | 0 | 107.9 | W1783 K1784 V1785 L1809 I1821 L1822 H1825 | W1783-I1797 CarbonylContact C-O 2.98Å; W1783-I1797 WeakPolarHBondContact CA-O 3.4Å; K1784-I1797 HydrophobicContact CB-CG2 4.47Å; K1784-I1797 PolarHBondContact N-O 2.86Å; V1785-I1797 HydrophobicContact CG2-CB 4.32Å; V1785-I1797 HydrophobicContact CG2-CD1 4.11Å; V1785-I1797 HydrophobicContact CG2-CG1 4.45Å; V1785-I1797 PolarHBondContact O-N 2.79Å; I1797-L1809 HydrophobicContact CD1-CD2 4.35Å; I1797-L1809 HydrophobicContact CG1-CD2 4.18Å; I1797-L1809 HydrophobicContact CG2-CD2 4.15Å; I1797-I1821 HydrophobicContact CD1-CG2 4.41Å; I1797-I1821 HydrophobicContact CG1-CG2 4.27Å; I1797-L1822 HydrophobicContact CD1-CD2 4.34Å; I1797-H1825 HydrophobicContact CD1-CB 3.38Å |
| 1798 | E | 81.5 | Confident | 64 | Low | 82 Ų | 82 | 61.5 Ų | 61.5 | 38% | 0.383 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 135.2 | 175.4 | -174.5 | 175.9 | -176 | 0 | 0 | 110.3 | R1781 L1782 W1783 A1800 | R1781-E1798 VanDerWaalsContact CD-OE1 3.25Å; R1781-E1798 WeakPolarHBondContact CD-OE1 3.37Å; R1781-E1798 WeakPolarHBondContact CG-OE1 3.31Å; R1781-E1798 IonicContact NE-OE1 3.65Å; R1781-E1798 PolarHBondContact NE-OE1 2.94Å; L1782-E1798 CarbonylContact O-C 3.26Å; L1782-E1798 WeakPolarHBondContact O-CA 3.47Å; W1783-E1798 HydrophobicContact CE3-CB 4.11Å; W1783-E1798 HydrophobicContact CH2-CB 4.34Å; W1783-E1798 HydrophobicContact CZ3-CB 3.93Å; E1798-A1800 PolarHBondContact O-N 3.35Å |
| 1799 | I | 71.8 | Confident | 61.4 | Low | 32 Ų | 32 | 65 Ų | 65 | 16% | 0.164 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 100.2 | 172 | -52.8 | 178.5 | 0 | 0 | 0 | 106.3 | V1601 L1752 L1782 K1784 C1801 | V1601-I1799 HydrophobicContact CG1-CD1 4.44Å; L1752-I1799 HydrophobicContact CD1-CD1 3.38Å; L1752-I1799 HydrophobicContact CD2-CD1 4.2Å; L1752-I1799 HydrophobicContact CD2-CG2 4.04Å; L1752-I1799 HydrophobicContact CG-CD1 4.38Å; L1782-I1799 HydrophobicContact CB-CB 3.99Å; L1782-I1799 HydrophobicContact CB-CD1 4.28Å; L1782-I1799 HydrophobicContact CB-CG1 4.42Å; L1782-I1799 PolarHBondContact O-N 2.89Å; K1784-I1799 HydrophobicContact CB-CD1 3.87Å; K1784-I1799 HydrophobicContact CB-CG1 3.87Å; K1784-I1799 HydrophobicContact CD-CD1 4.19Å; I1799-C1801 PolarHBondContact O-N 3.16Å |
| 1800 | A | 56.9 | Low | 59 | Low | 46 Ų | 46 | 72.4 Ų | 72.4 | 38% | 0.38 | 44% | 0.437 | S | S | . | . | trans | -61.3 | 111.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110 | E1798 S1802 | E1798-A1800 PolarHBondContact O-N 3.35Å; A1800-S1802 PolarHBondContact O-N 3.19Å | ||
| 1801 | C | 43.4 | Very low | 56.7 | Low | 114 Ų | 114 | 73.6 Ų | 73.6 | 77% | 0.77 | 44% | 0.443 | S | S | * | . | trans | -72.4 | 69.7 | 164.3 | -80.8 | 0 | 0 | 0 | 0 | 109.4 | I1799 | I1799-C1801 PolarHBondContact O-N 3.16Š| ||
| 1802 | S | 36.5 | Very low | 54.7 | Low | 55 Ų | 55 | 78.8 Ų | 78.8 | 39% | 0.385 | 46% | 0.462 | S | S | . | . | trans | -92.2 | 146.5 | 163.8 | 55.4 | 0 | 0 | 0 | 0 | 108.7 | A1800 D1804 G1805 | A1800-S1802 PolarHBondContact O-N 3.19Å; S1802-D1804 PolarHBondContact O-N 3.37Å; S1802-G1805 PolarHBondContact O-N 3.23Å | ||
| 1803 | S | 44.3 | Very low | 52.6 | Low | 121 Ų | 121 | 80.8 Ų | 80.8 | 85% | 0.846 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -15.2 | -179 | 49.1 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1804 | D | 39.1 | Very low | 51 | Low | 132 Ų | 132 | 84 Ų | 84 | 71% | 0.706 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120 | 11.3 | -169.9 | -55.3 | -5.2 | 0 | 0 | 0 | 113.3 | S1802 T1806 | S1802-D1804 PolarHBondContact O-N 3.37Å; D1804-T1806 PolarHBondContact O-N 2.84Å |
| 1805 | G | 35 | Very low | 49.7 | Very low | 63 Ų | 63 | 83.7 Ų | 83.7 | 65% | 0.649 | 49% | 0.489 | S | S | * | . | trans | 73 | 14 | 158.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | S1802 | S1802-G1805 PolarHBondContact O-N 3.23Š| ||
| 1806 | T | 28.5 | Very low | 49.2 | Very low | 47 Ų | 47 | 83.2 Ų | 83.2 | 29% | 0.288 | 48% | 0.48 | S | S | . | . | trans | -112.2 | 115.8 | -176.8 | 55.6 | 0 | 0 | 0 | 0 | 113.8 | P1056 D1804 | P1056-T1806 HydrophobicContact CB-CG2 4.32Å; P1056-T1806 VanDerWaalsContact CG-CB 3.43Å; P1056-T1806 HydrophobicContact CG-CG2 3.11Å; D1804-T1806 PolarHBondContact O-N 2.84Å | ||
| 1807 | P | 27.8 | Very low | 49 | Very low | 91 Ų | 91 | 83.2 Ų | 83.2 | 59% | 0.591 | 47% | 0.474 | S | S | * | . | trans | -72.4 | 130.2 | -178.7 | -8.7 | 23 | 0 | 0 | 0 | 112.1 | ||||
| 1808 | Q | 34.1 | Very low | 48.7 | Very low | 102 Ų | 102 | 84 Ų | 84 | 48% | 0.477 | 48% | 0.481 | S | S | . | . | trans | -100.5 | 107.4 | 165.9 | -74.2 | 160 | 28.9 | 0 | 0 | 108.5 | K1054 E1810 | K1054-Q1808 HydrophobicContact CB-CG 4.13Å; K1054-Q1808 HydrophobicContact CD-CG 4.31Å; K1054-Q1808 HydrophobicContact CG-CG 3.89Å; Q1808-E1810 PolarHBondContact O-N 3.08Å | ||
| 1809 | L | 36.1 | Very low | 48.7 | Very low | 76 Ų | 76 | 81.6 Ų | 81.6 | 40% | 0.398 | 48% | 0.477 | S | S | . | . | trans | -84.1 | 107.2 | 172 | -81.9 | 124.1 | 0 | 0 | 0 | 109.1 | I1797 L1811 L1822 | I1797-L1809 HydrophobicContact CD1-CD2 4.35Å; I1797-L1809 HydrophobicContact CG1-CD2 4.18Å; I1797-L1809 HydrophobicContact CG2-CD2 4.15Å; L1809-L1811 HydrophobicContact CB-CD1 3.9Å; L1809-L1811 HydrophobicContact CB-CG 4.07Å; L1809-L1811 HydrophobicContact CD2-CD1 3.97Å; L1809-L1811 HydrophobicContact CD2-CD2 4.36Å; L1809-L1811 HydrophobicContact CD2-CG 4.14Å; L1809-L1811 HydrophobicContact CG-CD1 4.5Å; L1809-L1811 PolarHBondContact O-N 3.1Å; L1809-L1822 HydrophobicContact CD2-CD2 4.23Å | ||
| 1810 | E | 35.4 | Very low | 49.3 | Very low | 181 Ų | 181 | 80.2 Ų | 80.2 | 85% | 0.846 | 47% | 0.47 | S | S | * | . | trans | -78.5 | 93.5 | 161.2 | -75.2 | -174.2 | 172.9 | 0 | 0 | 107.7 | Q1808 | Q1808-E1810 PolarHBondContact O-N 3.08Š| ||
| 1811 | L | 36.5 | Very low | 50.7 | Low | 47 Ų | 47 | 78.5 Ų | 78.5 | 25% | 0.246 | 45% | 0.454 | C | S | . | . | trans | -103.3 | 118.9 | 177.1 | -74.8 | 159.9 | 0 | 0 | 0 | 109.6 | L1809 D1813 L1822 | L1809-L1811 HydrophobicContact CB-CD1 3.9Å; L1809-L1811 HydrophobicContact CB-CG 4.07Å; L1809-L1811 HydrophobicContact CD2-CD1 3.97Å; L1809-L1811 HydrophobicContact CD2-CD2 4.36Å; L1809-L1811 HydrophobicContact CD2-CG 4.14Å; L1809-L1811 HydrophobicContact CG-CD1 4.5Å; L1809-L1811 PolarHBondContact O-N 3.1Å; L1811-D1813 PolarHBondContact O-N 3.3Å; L1811-L1822 HydrophobicContact CD1-CD1 3.85Å; L1811-L1822 HydrophobicContact CD1-CD2 3.7Å; L1811-L1822 HydrophobicContact CD1-CG 4.34Å; L1811-L1822 HydrophobicContact CD2-CD1 3.38Å; L1811-L1822 HydrophobicContact CD2-CD2 3.96Å; L1811-L1822 HydrophobicContact CD2-CG 3.86Å; L1811-L1822 HydrophobicContact CG-CD1 4.17Å; L1811-L1822 HydrophobicContact CG-CD2 4.43Å | ||
| 1812 | E | 35.9 | Very low | 52.6 | Low | 164 Ų | 164 | 74.4 Ų | 74.4 | 77% | 0.766 | 42% | 0.424 | S | S | * | . | trans | -77.5 | 100.5 | 156.1 | -70.8 | -177.2 | 170 | 0 | 0 | 106.7 | E1814 | E1812-E1814 PolarHBondContact O-N 2.91Š| ||
| 1813 | D | 37.6 | Very low | 54.9 | Low | 105 Ų | 105 | 72.5 Ų | 72.5 | 56% | 0.561 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -3.6 | -165.5 | -76.4 | -43.1 | 0 | 0 | 0 | 115.2 | R1051 L1811 | R1051-D1813 IonicContact NH1-OD2 3.72Å; L1811-D1813 PolarHBondContact O-N 3.3Å |
| 1814 | E | 46.4 | Very low | 56.8 | Low | 154 Ų | 154 | 66.7 Ų | 66.7 | 72% | 0.72 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | -1 | -166.8 | -67.3 | -156.4 | 134.3 | 0 | 0 | 116.7 | E1812 | E1812-E1814 PolarHBondContact O-N 2.91Š|
| 1815 | V | 62.3 | Low | 58.9 | Low | 78 Ų | 78 | 61.6 Ų | 61.6 | 47% | 0.473 | 34% | 0.343 | S | S | . | . | trans | -98.9 | 126.6 | -172.8 | -168.2 | 0 | 0 | 0 | 0 | 112 | I1817 S1818 G1819 | V1815-I1817 PolarHBondContact O-N 2.89Å; V1815-I1817 VanDerWaalsContact O-N 3.09Å; V1815-S1818 PolarHBondContact O-N 2.95Å; V1815-S1818 PolarHBondContact O-OG 3.02Å; V1815-G1819 PolarHBondContact O-N 3.14Å; V1815-G1819 VanDerWaalsContact O-N 3.09Å | ||
| 1816 | I | 74.7 | Confident | 61.2 | Low | 16 Ų | 16 | 64.3 Ų | 64.3 | 8% | 0.082 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -51.5 | -39.4 | -174.7 | -60.1 | 177.6 | 0 | 0 | 0 | 113.1 | Y1820 L1869 L1873 I1876 L1918 | I1816-Y1820 PolarHBondContact O-N 2.86Å; I1816-L1869 HydrophobicContact CG2-CD2 3.72Å; I1816-L1873 HydrophobicContact CD1-CD2 3.4Å; I1816-L1873 VanDerWaalsContact CD1-CD2 3.4Å; I1816-L1873 HydrophobicContact CD1-CG 4.33Å; I1816-L1873 HydrophobicContact CG2-CD2 4.39Å; I1816-I1876 HydrophobicContact CD1-CD1 3.6Å; I1816-I1876 HydrophobicContact CG1-CD1 4.29Å; I1816-L1918 HydrophobicContact CD1-CD1 3.79Å |
| 1817 | I | 81.4 | Confident | 63.8 | Low | 28 Ų | 28 | 63.3 Ų | 63.3 | 14% | 0.144 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -73.6 | -39.7 | -179.2 | -59.7 | -56.7 | 0 | 0 | 0 | 111.9 | L1787 V1815 G1819 Y1820 I1821 L1918 V1921 L1922 | L1787-I1817 HydrophobicContact CD2-CG2 3.41Å; L1787-I1817 VanDerWaalsContact CD2-CG2 3.41Å; V1815-I1817 PolarHBondContact O-N 2.89Å; V1815-I1817 VanDerWaalsContact O-N 3.09Å; I1817-G1819 VanDerWaalsContact C-N 3.31Å; I1817-G1819 PolarHBondContact O-N 3.39Å; I1817-Y1820 PolarHBondContact O-N 2.9Å; I1817-I1821 HydrophobicContact CG2-CD1 4.05Å; I1817-I1821 WeakPolarHBondContact O-CG1 3.32Å; I1817-I1821 PolarHBondContact O-N 2.68Å; I1817-I1821 VanDerWaalsContact O-N 3.08Å; I1817-L1918 HydrophobicContact CD1-CD2 3.88Å; I1817-L1918 HydrophobicContact CG1-CD2 3.83Å; I1817-V1921 HydrophobicContact CD1-CB 4.09Å; I1817-V1921 HydrophobicContact CD1-CG1 3.66Å; I1817-V1921 HydrophobicContact CG1-CG1 4.03Å; I1817-V1921 HydrophobicContact CG2-CG1 4.02Å; I1817-L1922 HydrophobicContact CD1-CD2 4.08Å; I1817-L1922 HydrophobicContact CD1-CG 4.11Å |
| 1818 | S | 78.1 | Confident | 66.3 | Low | 31 Ų | 31 | 59.4 Ų | 59.4 | 22% | 0.217 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.4 | -38.7 | 176.6 | 56.4 | 0 | 0 | 0 | 0 | 110.7 | V1815 Y1820 I1821 L1822 | V1815-S1818 PolarHBondContact O-N 2.95Å; V1815-S1818 PolarHBondContact O-OG 3.02Å; S1818-Y1820 PolarHBondContact O-N 3.39Å; S1818-I1821 PolarHBondContact O-N 3.49Å; S1818-L1822 WeakPolarHBondContact O-CB 3.3Å; S1818-L1822 WeakPolarHBondContact O-CD1 3.17Å; S1818-L1822 WeakPolarHBondContact O-CG 3.49Å; S1818-L1822 PolarHBondContact O-N 3.37Å |
| 1819 | G | 80.5 | Confident | 68.3 | Low | 30 Ų | 30 | 58.4 Ų | 58.4 | 31% | 0.309 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.4 | -43.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V1815 I1817 L1822 A1823 | V1815-G1819 PolarHBondContact O-N 3.14Å; V1815-G1819 VanDerWaalsContact O-N 3.09Å; I1817-G1819 VanDerWaalsContact C-N 3.31Å; I1817-G1819 PolarHBondContact O-N 3.39Å; G1819-L1822 PolarHBondContact O-N 3.15Å; G1819-A1823 WeakPolarHBondContact O-CB 3.27Å; G1819-A1823 PolarHBondContact O-N 3.01Å |
| 1820 | Y | 84.7 | Confident | 70.1 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.4 | -46.4 | 175.6 | -176.8 | -101.1 | 0 | 0 | 0 | 112.4 | F1597 I1816 I1817 S1818 L1822 A1823 V1824 C1861 L1864 V1865 L1869 L1922 D1925 I1928 | F1597-Y1820 AromaticContact CD1-CE1 3.97Å; F1597-Y1820 HydrophobicContact CD1-CE1 3.97Å; F1597-Y1820 HydrophobicContact CE1-CD1 4.37Å; F1597-Y1820 AromaticContact CE1-CE1 3.71Å; F1597-Y1820 HydrophobicContact CE1-CE1 3.71Å; F1597-Y1820 HydrophobicContact CZ-CE1 4.46Å; I1816-Y1820 PolarHBondContact O-N 2.86Å; I1817-Y1820 PolarHBondContact O-N 2.9Å; S1818-Y1820 PolarHBondContact O-N 3.39Å; Y1820-L1822 VanDerWaalsContact C-N 3.29Å; Y1820-L1822 PolarHBondContact O-N 3.28Å; Y1820-A1823 PolarHBondContact O-N 2.99Å; Y1820-V1824 HydrophobicContact CE1-CG2 4.15Å; Y1820-V1824 HydrophobicContact CE2-CG2 4.32Å; Y1820-V1824 WeakPolarHBondContact O-CG2 3.25Å; Y1820-V1824 PolarHBondContact O-N 3.49Å; Y1820-V1824 VanDerWaalsContact O-N 3.13Å; Y1820-C1861 WeakPolarHBondContact OH-CB 3.37Å; Y1820-L1864 HydrophobicContact CD2-CD2 3.57Å; Y1820-L1864 HydrophobicContact CD2-CG 4.46Å; Y1820-L1864 HydrophobicContact CE2-CD2 3.88Å; Y1820-V1865 HydrophobicContact CE2-CG2 4.21Å; Y1820-L1869 HydrophobicContact CD2-CD1 3.75Å; Y1820-L1869 HydrophobicContact CE2-CD1 4.44Å; Y1820-L1922 HydrophobicContact CD1-CD2 4.12Å; Y1820-L1922 HydrophobicContact CD2-CD2 4.28Å; Y1820-L1922 HydrophobicContact CG-CD2 3.98Å; Y1820-D1925 HydrophobicContact CE1-CB 4.45Å; Y1820-D1925 PolarHBondContact OH-OD2 3.19Å; Y1820-I1928 HydrophobicContact CE1-CD1 4.49Å; Y1820-I1928 HydrophobicContact CE2-CD1 4.09Å; Y1820-I1928 WeakPolarHBondContact OH-CD1 3.35Å |
| 1821 | I | 86.6 | Confident | 71.7 | Confident | 10 Ų | 10 | 51.5 Ų | 51.5 | 5% | 0.051 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.3 | -42.9 | 178 | -65.7 | 166.1 | 0 | 0 | 0 | 110.5 | F1597 L1787 I1797 I1817 S1818 H1825 | F1597-I1821 HydrophobicContact CE2-CG1 4.27Å; L1787-I1821 HydrophobicContact CB-CD1 3.79Å; L1787-I1821 HydrophobicContact CB-CG1 4.12Å; L1787-I1821 HydrophobicContact CD2-CD1 3.92Å; L1787-I1821 HydrophobicContact CD2-CG1 4.22Å; I1797-I1821 HydrophobicContact CD1-CG2 4.41Å; I1797-I1821 HydrophobicContact CG1-CG2 4.27Å; I1817-I1821 HydrophobicContact CG2-CD1 4.05Å; I1817-I1821 WeakPolarHBondContact O-CG1 3.32Å; I1817-I1821 PolarHBondContact O-N 2.68Å; I1817-I1821 VanDerWaalsContact O-N 3.08Å; S1818-I1821 PolarHBondContact O-N 3.49Å; I1821-H1825 WeakPolarHBondContact O-CB 3.39Å; I1821-H1825 PolarHBondContact O-N 2.9Å |
| 1822 | L | 83.4 | Confident | 73.1 | Confident | 28 Ų | 28 | 52 Ų | 52 | 15% | 0.147 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.4 | -48 | 177.9 | -85.2 | 162.8 | 0 | 0 | 0 | 113.2 | I1797 L1809 L1811 S1818 G1819 Y1820 V1824 H1825 Q1826 | I1797-L1822 HydrophobicContact CD1-CD2 4.34Å; L1809-L1822 HydrophobicContact CD2-CD2 4.23Å; L1811-L1822 HydrophobicContact CD1-CD1 3.85Å; L1811-L1822 HydrophobicContact CD1-CD2 3.7Å; L1811-L1822 HydrophobicContact CD1-CG 4.34Å; L1811-L1822 HydrophobicContact CD2-CD1 3.38Å; L1811-L1822 HydrophobicContact CD2-CD2 3.96Å; L1811-L1822 HydrophobicContact CD2-CG 3.86Å; L1811-L1822 HydrophobicContact CG-CD1 4.17Å; L1811-L1822 HydrophobicContact CG-CD2 4.43Å; S1818-L1822 WeakPolarHBondContact O-CB 3.3Å; S1818-L1822 WeakPolarHBondContact O-CD1 3.17Å; S1818-L1822 WeakPolarHBondContact O-CG 3.49Å; S1818-L1822 PolarHBondContact O-N 3.37Å; G1819-L1822 PolarHBondContact O-N 3.15Å; Y1820-L1822 VanDerWaalsContact C-N 3.29Å; Y1820-L1822 PolarHBondContact O-N 3.28Å; L1822-V1824 VanDerWaalsContact C-N 3.27Å; L1822-V1824 PolarHBondContact O-N 3.49Å; L1822-H1825 WeakPolarHBondContact O-CB 3.44Å; L1822-H1825 PolarHBondContact O-N 2.62Å; L1822-H1825 VanDerWaalsContact O-N 3.17Å; L1822-Q1826 WeakPolarHBondContact O-CB 3.37Å; L1822-Q1826 WeakPolarHBondContact O-CG 3.16Å; L1822-Q1826 PolarHBondContact O-N 2.89Å |
| 1823 | A | 84.2 | Confident | 74.1 | Confident | 15 Ų | 15 | 48.2 Ų | 48.2 | 12% | 0.124 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.5 | -41.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | G1819 Y1820 Q1826 F1827 F1860 L1864 | G1819-A1823 WeakPolarHBondContact O-CB 3.27Å; G1819-A1823 PolarHBondContact O-N 3.01Å; Y1820-A1823 PolarHBondContact O-N 2.99Å; A1823-Q1826 PolarHBondContact O-N 2.76Å; A1823-F1827 PolarHBondContact O-N 3.25Å; A1823-F1860 HydrophobicContact CB-CE1 4.36Å; A1823-F1860 HydrophobicContact CB-CZ 4.2Å; A1823-F1860 WeakPolarHBondContact O-CE1 3.28Å; A1823-L1864 HydrophobicContact CB-CD1 4.25Å; A1823-L1864 HydrophobicContact CB-CD2 3.53Å |
| 1824 | V | 85 | Confident | 75 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.1 | -43.5 | 175.4 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | F1597 K1599 Y1820 L1822 Q1826 F1827 L1828 L1857 | F1597-V1824 HydrophobicContact CE1-CB 4.02Å; F1597-V1824 HydrophobicContact CE1-CG1 3.72Å; F1597-V1824 HydrophobicContact CE1-CG2 3.97Å; F1597-V1824 HydrophobicContact CZ-CB 4Å; F1597-V1824 HydrophobicContact CZ-CG1 3.81Å; F1597-V1824 HydrophobicContact CZ-CG2 4.37Å; K1599-V1824 HydrophobicContact CD-CG1 4.41Å; Y1820-V1824 HydrophobicContact CE1-CG2 4.15Å; Y1820-V1824 HydrophobicContact CE2-CG2 4.32Å; Y1820-V1824 WeakPolarHBondContact O-CG2 3.25Å; Y1820-V1824 PolarHBondContact O-N 3.49Å; Y1820-V1824 VanDerWaalsContact O-N 3.13Å; L1822-V1824 VanDerWaalsContact C-N 3.27Å; L1822-V1824 PolarHBondContact O-N 3.49Å; V1824-Q1826 VanDerWaalsContact C-N 3.33Å; V1824-Q1826 PolarHBondContact O-N 3.13Å; V1824-F1827 PolarHBondContact O-N 3.14Å; V1824-L1828 HydrophobicContact CG1-CD1 4.15Å; V1824-L1828 WeakPolarHBondContact O-CG 3.5Å; V1824-L1828 PolarHBondContact O-N 2.84Å; V1824-L1857 HydrophobicContact CG1-CD1 4.1Å |
| 1825 | H | 83.2 | Confident | 75.4 | Confident | 24 Ų | 24 | 41.8 Ų | 41.8 | 11% | 0.111 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.3 | -43.3 | 174.9 | 179.5 | -98 | 0 | 0 | 0 | 112.5 | V1785 I1797 I1821 L1822 L1828 L1829 | V1785-H1825 HydrophobicContact CG2-CB 3.82Å; I1797-H1825 HydrophobicContact CD1-CB 3.38Å; I1821-H1825 WeakPolarHBondContact O-CB 3.39Å; I1821-H1825 PolarHBondContact O-N 2.9Å; L1822-H1825 WeakPolarHBondContact O-CB 3.44Å; L1822-H1825 PolarHBondContact O-N 2.62Å; L1822-H1825 VanDerWaalsContact O-N 3.17Å; H1825-L1828 PolarHBondContact O-N 3.21Å; H1825-L1829 WeakPolarHBondContact CE1-CD1 2.94Å; H1825-L1829 WeakPolarHBondContact O-CG 3.48Å; H1825-L1829 PolarHBondContact O-N 2.79Å |
| 1826 | Q | 83.3 | Confident | 74.8 | Confident | 120 Ų | 120 | 41.8 Ų | 41.8 | 56% | 0.561 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -64.1 | -42.3 | 179.6 | -74.6 | 175.6 | -7 | 0 | 0 | 111.8 | L1822 A1823 V1824 L1828 L1829 S1830 | L1822-Q1826 WeakPolarHBondContact O-CB 3.37Å; L1822-Q1826 WeakPolarHBondContact O-CG 3.16Å; L1822-Q1826 PolarHBondContact O-N 2.89Å; A1823-Q1826 PolarHBondContact O-N 2.76Å; V1824-Q1826 VanDerWaalsContact C-N 3.33Å; V1824-Q1826 PolarHBondContact O-N 3.13Å; Q1826-L1828 VanDerWaalsContact C-N 3.35Å; Q1826-L1828 PolarHBondContact O-N 3.34Å; Q1826-L1829 WeakPolarHBondContact O-CB 3.22Å; Q1826-L1829 PolarHBondContact O-N 3.04Å; Q1826-S1830 PolarHBondContact O-N 3.13Å; Q1826-S1830 PolarHBondContact O-OG 3.5Å |
| 1827 | F | 82.2 | Confident | 73.6 | Confident | 27 Ų | 27 | 47.1 Ų | 47.1 | 12% | 0.118 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.8 | -44.7 | 173.2 | 179.8 | -87.7 | 0 | 0 | 0 | 111.9 | A1823 V1824 L1829 S1830 E1831 L1853 Q1856 L1857 F1860 | A1823-F1827 PolarHBondContact O-N 3.25Å; V1824-F1827 PolarHBondContact O-N 3.14Å; F1827-L1829 VanDerWaalsContact C-N 3.26Å; F1827-L1829 PolarHBondContact O-N 3.4Å; F1827-S1830 PolarHBondContact O-N 3.24Å; F1827-S1830 PolarHBondContact O-OG 3.43Å; F1827-E1831 HydrophobicContact CD1-CG 4.39Å; F1827-E1831 HydrophobicContact CE1-CG 3.84Å; F1827-E1831 HydrophobicContact CE2-CG 4.36Å; F1827-E1831 HydrophobicContact CZ-CG 3.81Å; F1827-E1831 PolarHBondContact O-N 2.64Å; F1827-E1831 VanDerWaalsContact O-N 3.15Å; F1827-L1853 HydrophobicContact CE1-CD1 4.45Å; F1827-Q1856 HydrophobicContact CZ-CB 3.98Å; F1827-L1857 HydrophobicContact CD1-CB 4.28Å; F1827-L1857 HydrophobicContact CD1-CD1 3.48Å; F1827-L1857 VanDerWaalsContact CD1-CD1 3.48Å; F1827-L1857 HydrophobicContact CD1-CG 4.47Å; F1827-L1857 HydrophobicContact CE1-CB 3.8Å; F1827-L1857 HydrophobicContact CE1-CD1 3.91Å; F1827-L1857 HydrophobicContact CE1-CG 4.46Å; F1827-L1857 HydrophobicContact CG-CD1 4.37Å; F1827-F1860 HydrophobicContact CB-CD1 3.76Å; F1827-F1860 HydrophobicContact CB-CD2 4.47Å; F1827-F1860 HydrophobicContact CB-CE1 3.63Å; F1827-F1860 HydrophobicContact CB-CE2 4.35Å; F1827-F1860 HydrophobicContact CB-CG 4.19Å; F1827-F1860 HydrophobicContact CB-CZ 3.94Å; F1827-F1860 HydrophobicContact CD1-CD1 4.39Å; F1827-F1860 HydrophobicContact CD2-CB 3.76Å; F1827-F1860 AromaticContact CD2-CD1 3.88Å; F1827-F1860 HydrophobicContact CD2-CD1 3.88Å; F1827-F1860 AromaticContact CD2-CD2 3.49Å; F1827-F1860 HydrophobicContact CD2-CD2 3.49Å; F1827-F1860 VanDerWaalsContact CD2-CD2 3.49Å; F1827-F1860 HydrophobicContact CD2-CE1 4.37Å; F1827-F1860 HydrophobicContact CD2-CE2 4.02Å; F1827-F1860 AromaticContact CD2-CG 3.41Å; F1827-F1860 HydrophobicContact CD2-CG 3.41Å; F1827-F1860 VanDerWaalsContact CD2-CG 3.41Å; F1827-F1860 HydrophobicContact CD2-CZ 4.43Å; F1827-F1860 HydrophobicContact CE2-CB 3.71Å; F1827-F1860 HydrophobicContact CE2-CD2 4.07Å; F1827-F1860 AromaticContact CE2-CG 3.9Å; F1827-F1860 HydrophobicContact CE2-CG 3.9Å; F1827-F1860 HydrophobicContact CG-CB 4.21Å; F1827-F1860 AromaticContact CG-CD1 3.73Å; F1827-F1860 HydrophobicContact CG-CD1 3.73Å; F1827-F1860 HydrophobicContact CG-CD2 4.18Å; F1827-F1860 HydrophobicContact CG-CE1 4.12Å; F1827-F1860 AromaticContact CG-CG 3.76Å; F1827-F1860 HydrophobicContact CG-CG 3.76Å; F1827-F1860 HydrophobicContact CZ-CB 4.13Å |
| 1828 | L | 80.1 | Confident | 72 | Confident | 9 Ų | 9 | 53.4 Ų | 53.4 | 5% | 0.047 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.5 | -30.9 | 176.4 | -70.8 | 172 | 0 | 0 | 0 | 112.6 | K1599 V1785 V1824 H1825 Q1826 N1832 L1857 | K1599-L1828 HydrophobicContact CB-CD1 4.4Å; V1785-L1828 HydrophobicContact CG1-CD1 4.37Å; V1824-L1828 HydrophobicContact CG1-CD1 4.15Å; V1824-L1828 WeakPolarHBondContact O-CG 3.5Å; V1824-L1828 PolarHBondContact O-N 2.84Å; H1825-L1828 PolarHBondContact O-N 3.21Å; Q1826-L1828 VanDerWaalsContact C-N 3.35Å; Q1826-L1828 PolarHBondContact O-N 3.34Å; L1828-N1832 PolarHBondContact O-N 3.1Å; L1828-N1832 PolarHBondContact O-ND2 2.94Å; L1828-L1857 HydrophobicContact CD2-CD1 4.28Å; L1828-L1857 HydrophobicContact CD2-CD2 3.85Å; L1828-L1857 HydrophobicContact CG-CD1 4.39Å |
| 1829 | L | 75.8 | Confident | 70.2 | Confident | 80 Ų | 80 | 58.1 Ų | 58.1 | 42% | 0.419 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -71 | -45 | 173.5 | -75.2 | 178.1 | 0 | 0 | 0 | 111.8 | H1825 Q1826 F1827 E1831 N1832 V1833 | H1825-L1829 WeakPolarHBondContact CE1-CD1 2.94Å; H1825-L1829 WeakPolarHBondContact O-CG 3.48Å; H1825-L1829 PolarHBondContact O-N 2.79Å; Q1826-L1829 WeakPolarHBondContact O-CB 3.22Å; Q1826-L1829 PolarHBondContact O-N 3.04Å; F1827-L1829 VanDerWaalsContact C-N 3.26Å; F1827-L1829 PolarHBondContact O-N 3.4Å; L1829-E1831 PolarHBondContact O-N 3.06Å; L1829-N1832 PolarHBondContact O-N 3.19Å; L1829-V1833 WeakPolarHBondContact O-CG2 3.47Å; L1829-V1833 PolarHBondContact O-N 2.99Å |
| 1830 | S | 74.5 | Confident | 68.7 | Low | 63 Ų | 63 | 64.1 Ų | 64.1 | 44% | 0.441 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.2 | -41 | -177.4 | 55.8 | 0 | 0 | 0 | 0 | 112.7 | Q1826 F1827 V1833 A1834 | Q1826-S1830 PolarHBondContact O-N 3.13Å; Q1826-S1830 PolarHBondContact O-OG 3.5Å; F1827-S1830 PolarHBondContact O-N 3.24Å; F1827-S1830 PolarHBondContact O-OG 3.43Å; S1830-V1833 PolarHBondContact O-N 2.77Å; S1830-A1834 PolarHBondContact O-N 3.36Å; S1830-A1834 VanDerWaalsContact O-N 3.07Å |
| 1831 | E | 69.2 | Low | 66.5 | Low | 49 Ų | 49 | 70.4 Ų | 70.4 | 23% | 0.229 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -69 | -34.3 | 178.1 | -73.1 | -60.7 | 146.9 | 0 | 0 | 112.7 | F1827 L1829 V1833 A1834 R1835 L1853 | F1827-E1831 HydrophobicContact CD1-CG 4.39Å; F1827-E1831 HydrophobicContact CE1-CG 3.84Å; F1827-E1831 HydrophobicContact CE2-CG 4.36Å; F1827-E1831 HydrophobicContact CZ-CG 3.81Å; F1827-E1831 PolarHBondContact O-N 2.64Å; F1827-E1831 VanDerWaalsContact O-N 3.15Å; L1829-E1831 PolarHBondContact O-N 3.06Å; E1831-V1833 VanDerWaalsContact C-N 3.34Å; E1831-A1834 PolarHBondContact O-N 2.78Å; E1831-R1835 WeakPolarHBondContact O-CG 3.31Å; E1831-R1835 PolarHBondContact O-N 3.16Å; E1831-R1835 VanDerWaalsContact O-N 3.1Å; E1831-L1853 HydrophobicContact CB-CD1 3.6Å; E1831-L1853 HydrophobicContact CG-CD1 3.73Å |
| 1832 | N | 65.2 | Low | 64.1 | Low | 57 Ų | 57 | 77.2 Ų | 77.2 | 31% | 0.305 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.9 | -35.5 | 174.7 | -81.6 | -41.5 | 0 | 0 | 0 | 112.2 | L1828 L1829 S1836 | L1828-N1832 PolarHBondContact O-N 3.1Å; L1828-N1832 PolarHBondContact O-ND2 2.94Å; L1829-N1832 PolarHBondContact O-N 3.19Å; N1832-S1836 PolarHBondContact O-N 3.34Å; N1832-S1836 VanDerWaalsContact O-N 3.16Å; N1832-S1836 PolarHBondContact O-OG 2.67Å |
| 1833 | V | 58.8 | Low | 61.9 | Low | 85 Ų | 85 | 81.1 Ų | 81.1 | 52% | 0.515 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -69.2 | -45 | 175.9 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | L1829 S1830 E1831 R1835 S1836 D1837 | L1829-V1833 WeakPolarHBondContact O-CG2 3.47Å; L1829-V1833 PolarHBondContact O-N 2.99Å; S1830-V1833 PolarHBondContact O-N 2.77Å; E1831-V1833 VanDerWaalsContact C-N 3.34Å; V1833-R1835 VanDerWaalsContact C-N 3.27Å; V1833-R1835 PolarHBondContact O-N 3.06Å; V1833-S1836 WeakPolarHBondContact CA-OG 3.34Å; V1833-S1836 PolarHBondContact O-N 2.95Å; V1833-S1836 VanDerWaalsContact O-N 3.14Å; V1833-S1836 PolarHBondContact O-OG 3.27Å; V1833-D1837 PolarHBondContact O-N 2.84Å |
| 1834 | A | 55.6 | Low | 59.6 | Low | 46 Ų | 46 | 85.9 Ų | 85.9 | 38% | 0.38 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.6 | -39.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1830 E1831 D1837 E1838 | S1830-A1834 PolarHBondContact O-N 3.36Å; S1830-A1834 VanDerWaalsContact O-N 3.07Å; E1831-A1834 PolarHBondContact O-N 2.78Å; A1834-D1837 PolarHBondContact O-N 3.18Å; A1834-E1838 PolarHBondContact O-N 3.02Å |
| 1835 | R | 53.9 | Low | 57.3 | Low | 79 Ų | 79 | 90.3 Ų | 90.3 | 30% | 0.298 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.7 | -36.2 | 175.5 | -74.8 | 177.5 | 178.3 | -164 | -8.6 | 113.9 | E1831 V1833 D1837 E1838 M1839 G1849 | E1831-R1835 WeakPolarHBondContact O-CG 3.31Å; E1831-R1835 PolarHBondContact O-N 3.16Å; E1831-R1835 VanDerWaalsContact O-N 3.1Å; V1833-R1835 VanDerWaalsContact C-N 3.27Å; V1833-R1835 PolarHBondContact O-N 3.06Å; R1835-D1837 PolarHBondContact O-N 3.46Å; R1835-E1838 PolarHBondContact O-N 3.43Å; R1835-M1839 WeakPolarHBondContact O-CB 3.08Å; R1835-M1839 PolarHBondContact O-N 3.15Å; R1835-M1839 VanDerWaalsContact O-N 3.11Å; R1835-G1849 PolarHBondContact NH1-O 3.49Å; R1835-G1849 PolarHBondContact NH2-O 3.16Å |
| 1836 | S | 51.1 | Low | 55.2 | Low | 77 Ų | 77 | 96.7 Ų | 96.7 | 54% | 0.538 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.7 | -26.3 | 177.7 | 51.9 | 0 | 0 | 0 | 0 | 112.9 | N1832 V1833 | N1832-S1836 PolarHBondContact O-N 3.34Å; N1832-S1836 VanDerWaalsContact O-N 3.16Å; N1832-S1836 PolarHBondContact O-OG 2.67Å; V1833-S1836 WeakPolarHBondContact CA-OG 3.34Å; V1833-S1836 PolarHBondContact O-N 2.95Å; V1833-S1836 VanDerWaalsContact O-N 3.14Å; V1833-S1836 PolarHBondContact O-OG 3.27Å |
| 1837 | D | 49.2 | Very low | 53.4 | Low | 129 Ų | 129 | 100.3 Ų | 100.3 | 69% | 0.69 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -80.9 | -30.8 | 176.5 | -71.4 | -23.5 | 0 | 0 | 0 | 112.7 | V1833 A1834 R1835 | V1833-D1837 PolarHBondContact O-N 2.84Å; A1834-D1837 PolarHBondContact O-N 3.18Å; R1835-D1837 PolarHBondContact O-N 3.46Å |
| 1838 | E | 48.2 | Very low | 51.4 | Low | 160 Ų | 160 | 105.7 Ų | 105.7 | 75% | 0.748 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -82.8 | -24.8 | 177.9 | -70.4 | -173.7 | 165.6 | 0 | 0 | 114 | A1834 R1835 N1840 | A1834-E1838 PolarHBondContact O-N 3.02Å; R1835-E1838 PolarHBondContact O-N 3.43Å; E1838-N1840 PolarHBondContact O-N 3.28Å; E1838-N1840 VanDerWaalsContact O-N 3.13Å |
| 1839 | M | 40 | Very low | 49.9 | Very low | 129 Ų | 129 | 106.6 Ų | 106.6 | 64% | 0.635 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 13.4 | -173.7 | -114.3 | 169.5 | 73.4 | 0 | 0 | 115.9 | R1835 D1841 | R1835-M1839 WeakPolarHBondContact O-CB 3.08Å; R1835-M1839 PolarHBondContact O-N 3.15Å; R1835-M1839 VanDerWaalsContact O-N 3.11Å; M1839-D1841 VanDerWaalsContact C-N 3.33Å |
| 1840 | N | 48.2 | Very low | 49 | Very low | 157 Ų | 157 | 106.4 Ų | 106.4 | 84% | 0.84 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -1.1 | 168.8 | -106.4 | -7 | 0 | 0 | 0 | 114 | E1838 | E1838-N1840 PolarHBondContact O-N 3.28Å; E1838-N1840 VanDerWaalsContact O-N 3.13Å |
| 1841 | D | 38.1 | Very low | 48.3 | Very low | 135 Ų | 135 | 110.5 Ų | 110.5 | 72% | 0.722 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -121.8 | 123.6 | 170.9 | -95.5 | -32.1 | 0 | 0 | 0 | 112.6 | M1839 | M1839-D1841 VanDerWaalsContact C-N 3.33Š|
| 1842 | N | 37.7 | Very low | 48.3 | Very low | 153 Ų | 153 | 112.9 Ų | 112.9 | 82% | 0.818 | 62% | 0.619 | S | S | * | * | trans | 64.6 | 113.9 | 164.6 | -68.4 | -35.4 | 0 | 0 | 0 | 120 | ||||
| 1843 | S | 35.8 | Very low | 48.6 | Very low | 109 Ų | 109 | 110.4 Ų | 110.4 | 76% | 0.762 | 61% | 0.605 | S | S | * | * | trans | -57.2 | 142.2 | 164.6 | 51.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1844 | S | 35.7 | Very low | 49.1 | Very low | 116 Ų | 116 | 110.9 Ų | 110.9 | 81% | 0.811 | 61% | 0.605 | S | S | * | * | trans | 101.5 | 59.9 | 157.9 | 75.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1845 | S | 37 | Very low | 50.1 | Low | 93 Ų | 93 | 113.3 Ų | 113.3 | 65% | 0.65 | 61% | 0.612 | S | S | * | * | trans | -163.6 | 63.1 | 153.2 | 57.2 | 0 | 0 | 0 | 0 | 114.9 | K1847 | S1845-K1847 PolarHBondContact O-N 3.39Š| ||
| 1846 | H | 40.7 | Very low | 51.4 | Low | 157 Ų | 157 | 112.6 Ų | 112.6 | 73% | 0.727 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -5.6 | -174.8 | -88.2 | -58 | 0 | 0 | 0 | 117.6 | ||
| 1847 | K | 43.9 | Very low | 52.9 | Low | 196 Ų | 196 | 109.1 Ų | 109.1 | 85% | 0.852 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -20.2 | -177.9 | -83.3 | -172.8 | 175.3 | -178 | 0 | 115.6 | S1845 | S1845-K1847 PolarHBondContact O-N 3.39Š|
| 1848 | I | 41.2 | Very low | 54.4 | Low | 140 Ų | 140 | 108.1 Ų | 108.1 | 72% | 0.718 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -24.8 | -176.6 | -59.2 | 175.5 | 0 | 0 | 0 | 111.6 | S1850 | I1848-S1850 PolarHBondContact O-N 3.07Š|
| 1849 | G | 48.3 | Very low | 56.2 | Low | 29 Ų | 29 | 104.3 Ų | 104.3 | 30% | 0.299 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -74.7 | -18.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | R1835 L1853 | R1835-G1849 PolarHBondContact NH1-O 3.49Å; R1835-G1849 PolarHBondContact NH2-O 3.16Å; G1849-L1853 PolarHBondContact O-N 3.41Å |
| 1850 | S | 56.4 | Low | 58.5 | Low | 75 Ų | 75 | 100.9 Ų | 100.9 | 52% | 0.524 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -74.8 | -44.4 | -176.3 | -172.8 | 0 | 0 | 0 | 0 | 112.8 | I1848 E1852 L1853 D1854 | I1848-S1850 PolarHBondContact O-N 3.07Å; S1850-E1852 VanDerWaalsContact C-N 3.34Å; S1850-E1852 PolarHBondContact O-N 2.93Å; S1850-L1853 PolarHBondContact O-N 3.17Å; S1850-D1854 PolarHBondContact O-N 2.81Å; S1850-D1854 VanDerWaalsContact O-N 3.17Å |
| 1851 | E | 59.8 | Low | 60.4 | Low | 150 Ų | 150 | 93.4 Ų | 93.4 | 70% | 0.701 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.3 | -35.7 | -179.4 | -78.9 | -175.4 | 155.8 | 0 | 0 | 112 | D1854 N1855 | E1851-D1854 PolarHBondContact O-N 2.97Å; E1851-N1855 WeakPolarHBondContact O-CB 3.49Å; E1851-N1855 VanDerWaalsContact O-CG 3.29Å; E1851-N1855 PolarHBondContact O-N 2.89Å; E1851-N1855 PolarHBondContact O-ND2 3.48Å |
| 1852 | E | 70 | Confident | 62.8 | Low | 99 Ų | 99 | 88.2 Ų | 88.2 | 46% | 0.463 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 177.4 | -173.8 | 57.6 | -154.4 | 0 | 0 | 111.6 | S1850 D1854 N1855 Q1856 | S1850-E1852 VanDerWaalsContact C-N 3.34Å; S1850-E1852 PolarHBondContact O-N 2.93Å; E1852-D1854 PolarHBondContact O-N 3.05Å; E1852-N1855 PolarHBondContact O-N 2.69Å; E1852-Q1856 WeakPolarHBondContact O-CB 3.48Å; E1852-Q1856 VanDerWaalsContact O-CG 3.27Å; E1852-Q1856 WeakPolarHBondContact O-CG 3.43Å; E1852-Q1856 PolarHBondContact O-N 2.98Å; E1852-Q1856 PolarHBondContact OE1-NE2 2.97Å |
| 1853 | L | 70.8 | Confident | 65.1 | Low | 4 Ų | 4 | 86.2 Ų | 86.2 | 2% | 0.021 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -63 | -43.1 | 176.3 | -174.7 | 63.1 | 0 | 0 | 0 | 111.6 | L1750 F1827 E1831 G1849 S1850 N1855 Q1856 L1857 | L1750-L1853 HydrophobicContact CD1-CD2 3.7Å; F1827-L1853 HydrophobicContact CE1-CD1 4.45Å; E1831-L1853 HydrophobicContact CB-CD1 3.6Å; E1831-L1853 HydrophobicContact CG-CD1 3.73Å; G1849-L1853 PolarHBondContact O-N 3.41Å; S1850-L1853 PolarHBondContact O-N 3.17Å; L1853-N1855 VanDerWaalsContact C-N 3.31Å; L1853-N1855 PolarHBondContact O-N 2.81Å; L1853-Q1856 PolarHBondContact O-N 3.08Å; L1853-L1857 WeakPolarHBondContact O-CB 3.19Å; L1853-L1857 PolarHBondContact O-N 2.78Å |
| 1854 | D | 70 | Confident | 67.5 | Low | 96 Ų | 96 | 81.8 Ų | 81.8 | 51% | 0.513 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63 | -39.3 | 177.7 | -96 | -0.1 | 0 | 0 | 0 | 111.6 | S1850 E1851 E1852 K1858 | S1850-D1854 PolarHBondContact O-N 2.81Å; S1850-D1854 VanDerWaalsContact O-N 3.17Å; E1851-D1854 PolarHBondContact O-N 2.97Å; E1852-D1854 PolarHBondContact O-N 3.05Å; D1854-K1858 WeakPolarHBondContact O-CB 3.13Å; D1854-K1858 PolarHBondContact O-N 3.19Å |
| 1855 | N | 75.4 | Confident | 69.8 | Low | 96 Ų | 96 | 76.3 Ų | 76.3 | 51% | 0.513 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 175.5 | -75.5 | -30.1 | 0 | 0 | 0 | 112.1 | E1851 E1852 L1853 K1858 S1859 | E1851-N1855 WeakPolarHBondContact O-CB 3.49Å; E1851-N1855 VanDerWaalsContact O-CG 3.29Å; E1851-N1855 PolarHBondContact O-N 2.89Å; E1851-N1855 PolarHBondContact O-ND2 3.48Å; E1852-N1855 PolarHBondContact O-N 2.69Å; L1853-N1855 VanDerWaalsContact C-N 3.31Å; L1853-N1855 PolarHBondContact O-N 2.81Å; N1855-K1858 PolarHBondContact O-N 3.03Å; N1855-S1859 WeakPolarHBondContact O-CB 3.44Å; N1855-S1859 PolarHBondContact O-N 3.4Å |
| 1856 | Q | 81.3 | Confident | 72 | Confident | 65 Ų | 65 | 78.5 Ų | 78.5 | 30% | 0.304 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 176.9 | -70 | 174.7 | -3 | 0 | 0 | 111.7 | F1827 E1852 L1853 S1859 F1860 | F1827-Q1856 HydrophobicContact CZ-CB 3.98Å; E1852-Q1856 WeakPolarHBondContact O-CB 3.48Å; E1852-Q1856 VanDerWaalsContact O-CG 3.27Å; E1852-Q1856 WeakPolarHBondContact O-CG 3.43Å; E1852-Q1856 PolarHBondContact O-N 2.98Å; E1852-Q1856 PolarHBondContact OE1-NE2 2.97Å; L1853-Q1856 PolarHBondContact O-N 3.08Å; Q1856-S1859 WeakPolarHBondContact O-CB 3.05Å; Q1856-S1859 PolarHBondContact O-N 3.29Å; Q1856-F1860 WeakPolarHBondContact O-CB 3.36Å; Q1856-F1860 PolarHBondContact O-N 3.44Å |
| 1857 | L | 82.6 | Confident | 73.9 | Confident | 4 Ų | 4 | 75.4 Ų | 75.4 | 2% | 0.021 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.3 | -44 | 175.7 | 178 | 60.9 | 0 | 0 | 0 | 111.5 | K1599 V1824 F1827 L1828 L1853 S1859 F1860 C1861 | K1599-L1857 HydrophobicContact CD-CD2 3.5Å; K1599-L1857 HydrophobicContact CD-CG 4.27Å; V1824-L1857 HydrophobicContact CG1-CD1 4.1Å; F1827-L1857 HydrophobicContact CD1-CB 4.28Å; F1827-L1857 HydrophobicContact CD1-CD1 3.48Å; F1827-L1857 VanDerWaalsContact CD1-CD1 3.48Å; F1827-L1857 HydrophobicContact CD1-CG 4.47Å; F1827-L1857 HydrophobicContact CE1-CB 3.8Å; F1827-L1857 HydrophobicContact CE1-CD1 3.91Å; F1827-L1857 HydrophobicContact CE1-CG 4.46Å; F1827-L1857 HydrophobicContact CG-CD1 4.37Å; L1828-L1857 HydrophobicContact CD2-CD1 4.28Å; L1828-L1857 HydrophobicContact CD2-CD2 3.85Å; L1828-L1857 HydrophobicContact CG-CD1 4.39Å; L1853-L1857 WeakPolarHBondContact O-CB 3.19Å; L1853-L1857 PolarHBondContact O-N 2.78Å; L1857-S1859 VanDerWaalsContact C-N 3.35Å; L1857-F1860 PolarHBondContact O-N 2.8Å; L1857-C1861 WeakPolarHBondContact O-CB 3.29Å; L1857-C1861 PolarHBondContact O-N 2.9Å; L1857-C1861 PolarHBondContact O-SG 3.28Å |
| 1858 | K | 82.3 | Confident | 75.7 | Confident | 108 Ų | 108 | 71.4 Ų | 71.4 | 47% | 0.47 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.3 | -46.8 | 173.7 | 177.6 | 177.1 | 179 | -173.1 | 0 | 111 | D1854 N1855 F1860 C1861 C1862 | D1854-K1858 WeakPolarHBondContact O-CB 3.13Å; D1854-K1858 PolarHBondContact O-N 3.19Å; N1855-K1858 PolarHBondContact O-N 3.03Å; K1858-F1860 VanDerWaalsContact C-N 3.35Å; K1858-F1860 PolarHBondContact O-N 2.93Å; K1858-C1861 PolarHBondContact O-N 3.42Å; K1858-C1862 WeakPolarHBondContact O-CB 3.46Å; K1858-C1862 PolarHBondContact O-N 2.63Å; K1858-C1862 PolarHBondContact O-SG 2.99Å; K1858-C1862 VanDerWaalsContact O-SG 3.38Å |
| 1859 | S | 84.1 | Confident | 77.7 | Confident | 79 Ų | 79 | 65.2 Ų | 65.2 | 55% | 0.552 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -58.9 | -45.5 | 176.8 | -174.3 | 0 | 0 | 0 | 0 | 111.7 | N1855 Q1856 L1857 C1862 K1863 | N1855-S1859 WeakPolarHBondContact O-CB 3.44Å; N1855-S1859 PolarHBondContact O-N 3.4Å; Q1856-S1859 WeakPolarHBondContact O-CB 3.05Å; Q1856-S1859 PolarHBondContact O-N 3.29Å; L1857-S1859 VanDerWaalsContact C-N 3.35Å; S1859-C1862 PolarHBondContact O-N 2.77Å; S1859-K1863 WeakPolarHBondContact O-CB 3.38Å; S1859-K1863 PolarHBondContact O-N 3.42Å |
| 1860 | F | 88.5 | Confident | 79.2 | Confident | 57 Ų | 57 | 65.1 Ų | 65.1 | 25% | 0.25 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.1 | -51.1 | 175.9 | 172.9 | -99.1 | 0 | 0 | 0 | 112.1 | A1823 F1827 Q1856 L1857 K1858 C1862 K1863 L1864 | A1823-F1860 HydrophobicContact CB-CE1 4.36Å; A1823-F1860 HydrophobicContact CB-CZ 4.2Å; A1823-F1860 WeakPolarHBondContact O-CE1 3.28Å; F1827-F1860 HydrophobicContact CB-CD1 3.76Å; F1827-F1860 HydrophobicContact CB-CD2 4.47Å; F1827-F1860 HydrophobicContact CB-CE1 3.63Å; F1827-F1860 HydrophobicContact CB-CE2 4.35Å; F1827-F1860 HydrophobicContact CB-CG 4.19Å; F1827-F1860 HydrophobicContact CB-CZ 3.94Å; F1827-F1860 HydrophobicContact CD1-CD1 4.39Å; F1827-F1860 HydrophobicContact CD2-CB 3.76Å; F1827-F1860 AromaticContact CD2-CD1 3.88Å; F1827-F1860 HydrophobicContact CD2-CD1 3.88Å; F1827-F1860 AromaticContact CD2-CD2 3.49Å; F1827-F1860 HydrophobicContact CD2-CD2 3.49Å; F1827-F1860 VanDerWaalsContact CD2-CD2 3.49Å; F1827-F1860 HydrophobicContact CD2-CE1 4.37Å; F1827-F1860 HydrophobicContact CD2-CE2 4.02Å; F1827-F1860 AromaticContact CD2-CG 3.41Å; F1827-F1860 HydrophobicContact CD2-CG 3.41Å; F1827-F1860 VanDerWaalsContact CD2-CG 3.41Å; F1827-F1860 HydrophobicContact CD2-CZ 4.43Å; F1827-F1860 HydrophobicContact CE2-CB 3.71Å; F1827-F1860 HydrophobicContact CE2-CD2 4.07Å; F1827-F1860 AromaticContact CE2-CG 3.9Å; F1827-F1860 HydrophobicContact CE2-CG 3.9Å; F1827-F1860 HydrophobicContact CG-CB 4.21Å; F1827-F1860 AromaticContact CG-CD1 3.73Å; F1827-F1860 HydrophobicContact CG-CD1 3.73Å; F1827-F1860 HydrophobicContact CG-CD2 4.18Å; F1827-F1860 HydrophobicContact CG-CE1 4.12Å; F1827-F1860 AromaticContact CG-CG 3.76Å; F1827-F1860 HydrophobicContact CG-CG 3.76Å; F1827-F1860 HydrophobicContact CZ-CB 4.13Å; Q1856-F1860 WeakPolarHBondContact O-CB 3.36Å; Q1856-F1860 PolarHBondContact O-N 3.44Å; L1857-F1860 PolarHBondContact O-N 2.8Å; K1858-F1860 VanDerWaalsContact C-N 3.35Å; K1858-F1860 PolarHBondContact O-N 2.93Å; F1860-C1862 PolarHBondContact O-N 2.99Å; F1860-K1863 WeakPolarHBondContact O-CB 3.47Å; F1860-K1863 PolarHBondContact O-N 3.16Å; F1860-L1864 HydrophobicContact CE1-CD2 4.32Å; F1860-L1864 WeakPolarHBondContact O-CB 3.43Å; F1860-L1864 PolarHBondContact O-N 3.03Å |
| 1861 | C | 88.5 | Confident | 80.4 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61 | -43.5 | 179.2 | -67.3 | 0 | 0 | 0 | 0 | 111.6 | Y1820 L1857 K1858 K1863 L1864 V1865 I1928 | Y1820-C1861 WeakPolarHBondContact OH-CB 3.37Å; L1857-C1861 WeakPolarHBondContact O-CB 3.29Å; L1857-C1861 PolarHBondContact O-N 2.9Å; L1857-C1861 PolarHBondContact O-SG 3.28Å; K1858-C1861 PolarHBondContact O-N 3.42Å; C1861-K1863 PolarHBondContact O-N 2.66Å; C1861-L1864 PolarHBondContact O-N 2.85Å; C1861-V1865 WeakPolarHBondContact O-CG2 3.49Å; C1861-V1865 PolarHBondContact O-N 3.4Å; C1861-I1928 VanDerWaalsContact C-CG2 3.49Å; C1861-I1928 HydrophobicContact CB-CG2 3.39Å |
| 1862 | C | 87.9 | Confident | 81.4 | Confident | 27 Ų | 27 | 65.4 Ų | 65.4 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.4 | -45 | 175.6 | -77.5 | 0 | 0 | 0 | 0 | 111.5 | K1858 S1859 F1860 V1865 R1866 E1931 | K1858-C1862 WeakPolarHBondContact O-CB 3.46Å; K1858-C1862 PolarHBondContact O-N 2.63Å; K1858-C1862 PolarHBondContact O-SG 2.99Å; K1858-C1862 VanDerWaalsContact O-SG 3.38Å; S1859-C1862 PolarHBondContact O-N 2.77Å; F1860-C1862 PolarHBondContact O-N 2.99Å; C1862-V1865 PolarHBondContact O-N 2.77Å; C1862-R1866 VanDerWaalsContact O-CB 3.28Å; C1862-R1866 WeakPolarHBondContact O-CB 3.44Å; C1862-R1866 PolarHBondContact O-N 3.4Å; C1862-E1931 HydrophobicContact CB-CG 4.05Å |
| 1863 | K | 86 | Confident | 82.2 | Confident | 111 Ų | 111 | 60.8 Ų | 60.8 | 48% | 0.483 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.3 | -46.5 | 176.9 | -170.3 | -177.8 | 178 | -177.8 | 0 | 111.5 | S1859 F1860 C1861 V1865 R1866 E1867 | S1859-K1863 WeakPolarHBondContact O-CB 3.38Å; S1859-K1863 PolarHBondContact O-N 3.42Å; F1860-K1863 WeakPolarHBondContact O-CB 3.47Å; F1860-K1863 PolarHBondContact O-N 3.16Å; C1861-K1863 PolarHBondContact O-N 2.66Å; K1863-V1865 VanDerWaalsContact C-N 3.32Å; K1863-V1865 PolarHBondContact O-N 3.27Å; K1863-R1866 PolarHBondContact O-N 3.47Å; K1863-E1867 WeakPolarHBondContact CE-OE2 3.48Å; K1863-E1867 VanDerWaalsContact CG-CD 3.42Å; K1863-E1867 HydrophobicContact CG-CG 4.22Å; K1863-E1867 WeakPolarHBondContact CG-OE1 3.12Å; K1863-E1867 WeakPolarHBondContact CG-OE2 3.38Å; K1863-E1867 IonicContact NZ-OE2 2.79Å; K1863-E1867 WeakPolarHBondContact O-CB 3.41Å; K1863-E1867 PolarHBondContact O-N 3.2Å |
| 1864 | L | 86.1 | Confident | 82.9 | Confident | 16 Ų | 16 | 62.9 Ų | 62.9 | 8% | 0.084 | 30% | 0.299 | C | S | . | . | I | π-helix | trans | -58.2 | -43.2 | 178.8 | -175.6 | 68.9 | 0 | 0 | 0 | 111.8 | Y1820 A1823 F1860 C1861 E1868 L1869 | Y1820-L1864 HydrophobicContact CD2-CD2 3.57Å; Y1820-L1864 HydrophobicContact CD2-CG 4.46Å; Y1820-L1864 HydrophobicContact CE2-CD2 3.88Å; A1823-L1864 HydrophobicContact CB-CD1 4.25Å; A1823-L1864 HydrophobicContact CB-CD2 3.53Å; F1860-L1864 HydrophobicContact CE1-CD2 4.32Å; F1860-L1864 WeakPolarHBondContact O-CB 3.43Å; F1860-L1864 PolarHBondContact O-N 3.03Å; C1861-L1864 PolarHBondContact O-N 2.85Å; L1864-E1868 HydrophobicContact CD1-CB 4.24Å; L1864-E1868 WeakPolarHBondContact CD1-OE2 3.49Å; L1864-E1868 WeakPolarHBondContact O-CB 3.24Å; L1864-E1868 PolarHBondContact O-N 2.99Å; L1864-E1868 VanDerWaalsContact O-N 3.12Å; L1864-L1869 PolarHBondContact O-N 3.11Å |
| 1865 | V | 85.6 | Confident | 83.6 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | I | π-helix | trans | -65.5 | -52.8 | 175.5 | 177.2 | 0 | 0 | 0 | 0 | 110.5 | Y1820 C1861 C1862 K1863 E1867 L1869 V1870 I1928 E1931 L1935 | Y1820-V1865 HydrophobicContact CE2-CG2 4.21Å; C1861-V1865 WeakPolarHBondContact O-CG2 3.49Å; C1861-V1865 PolarHBondContact O-N 3.4Å; C1862-V1865 PolarHBondContact O-N 2.77Å; K1863-V1865 VanDerWaalsContact C-N 3.32Å; K1863-V1865 PolarHBondContact O-N 3.27Å; V1865-E1867 PolarHBondContact O-N 3.37Å; V1865-L1869 HydrophobicContact CG2-CD1 3.97Å; V1865-L1869 PolarHBondContact O-N 3.14Å; V1865-V1870 WeakPolarHBondContact O-CG2 3.49Å; V1865-V1870 PolarHBondContact O-N 3.32Å; V1865-I1928 HydrophobicContact CG2-CB 4.35Å; V1865-I1928 HydrophobicContact CG2-CD1 3.6Å; V1865-I1928 HydrophobicContact CG2-CG2 4.37Å; V1865-E1931 HydrophobicContact CB-CB 4.23Å; V1865-E1931 HydrophobicContact CG1-CB 3.93Å; V1865-L1935 HydrophobicContact CG1-CD2 4.23Å |
| 1866 | R | 82.4 | Confident | 84.2 | Confident | 139 Ų | 139 | 60.2 Ų | 60.2 | 53% | 0.525 | 28% | 0.284 | S | S | . | . | I | π-helix | trans | -64.3 | -41 | -172.3 | -172 | -177.9 | 70.4 | -170.6 | 0.9 | 113.3 | C1862 K1863 | C1862-R1866 VanDerWaalsContact O-CB 3.28Å; C1862-R1866 WeakPolarHBondContact O-CB 3.44Å; C1862-R1866 PolarHBondContact O-N 3.4Å; K1863-R1866 PolarHBondContact O-N 3.47Å |
| 1867 | E | 81.1 | Confident | 84.4 | Confident | 93 Ų | 93 | 57.2 Ų | 57.2 | 44% | 0.435 | 27% | 0.27 | S | S | . | . | I | π-helix | trans | -98 | -37.3 | -170.5 | -65 | 176.6 | -165.8 | 0 | 0 | 112.3 | K1863 V1865 | K1863-E1867 WeakPolarHBondContact CE-OE2 3.48Å; K1863-E1867 VanDerWaalsContact CG-CD 3.42Å; K1863-E1867 HydrophobicContact CG-CG 4.22Å; K1863-E1867 WeakPolarHBondContact CG-OE1 3.12Å; K1863-E1867 WeakPolarHBondContact CG-OE2 3.38Å; K1863-E1867 IonicContact NZ-OE2 2.79Å; K1863-E1867 WeakPolarHBondContact O-CB 3.41Å; K1863-E1867 PolarHBondContact O-N 3.2Å; V1865-E1867 PolarHBondContact O-N 3.37Å |
| 1868 | E | 80.9 | Confident | 84.5 | Confident | 112 Ų | 112 | 63.9 Ų | 63.9 | 52% | 0.523 | 30% | 0.295 | S | S | . | . | I | π-helix | trans | -106.4 | -54.2 | -172.4 | -164.4 | -178.3 | 154.8 | 0 | 0 | 112.8 | L1864 V1870 R1872 | L1864-E1868 HydrophobicContact CD1-CB 4.24Å; L1864-E1868 WeakPolarHBondContact CD1-OE2 3.49Å; L1864-E1868 WeakPolarHBondContact O-CB 3.24Å; L1864-E1868 PolarHBondContact O-N 2.99Å; L1864-E1868 VanDerWaalsContact O-N 3.12Å; E1868-V1870 PolarHBondContact O-N 2.93Å; E1868-R1872 PolarHBondContact O-N 3.15Å |
| 1869 | L | 82.8 | Confident | 84.5 | Confident | 10 Ų | 10 | 65.6 Ų | 65.6 | 5% | 0.052 | 30% | 0.303 | C | S | . | . | I | π-helix | trans | -68.8 | -37.6 | -175 | -68.8 | 172.6 | 0 | 0 | 0 | 112.5 | I1816 Y1820 L1864 V1865 R1872 L1873 L1922 | I1816-L1869 HydrophobicContact CG2-CD2 3.72Å; Y1820-L1869 HydrophobicContact CD2-CD1 3.75Å; Y1820-L1869 HydrophobicContact CE2-CD1 4.44Å; L1864-L1869 PolarHBondContact O-N 3.11Å; V1865-L1869 HydrophobicContact CG2-CD1 3.97Å; V1865-L1869 PolarHBondContact O-N 3.14Å; L1869-R1872 PolarHBondContact O-N 3.38Å; L1869-L1873 HydrophobicContact CB-CD1 4.46Å; L1869-L1873 VanDerWaalsContact O-CB 3.24Å; L1869-L1873 WeakPolarHBondContact O-CB 3.42Å; L1869-L1873 WeakPolarHBondContact O-CD1 3.45Å; L1869-L1873 WeakPolarHBondContact O-CG 3.47Å; L1869-L1873 PolarHBondContact O-N 3.03Å; L1869-L1922 HydrophobicContact CD1-CD1 4.46Å; L1869-L1922 HydrophobicContact CD1-CD2 4.35Å |
| 1870 | V | 81.7 | Confident | 84.5 | Confident | 26 Ų | 26 | 64 Ų | 64 | 16% | 0.158 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -55.6 | -53.5 | 177.5 | 166.2 | 0 | 0 | 0 | 0 | 110.6 | V1865 E1868 L1873 F1874 L1935 | V1865-V1870 WeakPolarHBondContact O-CG2 3.49Å; V1865-V1870 PolarHBondContact O-N 3.32Å; E1868-V1870 PolarHBondContact O-N 2.93Å; V1870-L1873 PolarHBondContact O-N 3.21Å; V1870-F1874 HydrophobicContact CG1-CD2 3.49Å; V1870-F1874 VanDerWaalsContact CG1-CD2 3.49Å; V1870-F1874 HydrophobicContact CG1-CE2 3.36Å; V1870-F1874 WeakPolarHBondContact O-CB 3.35Å; V1870-F1874 WeakPolarHBondContact O-CD2 3.36Å; V1870-F1874 PolarHBondContact O-N 3.27Å; V1870-L1935 HydrophobicContact CB-CD1 4.23Å; V1870-L1935 HydrophobicContact CG2-CB 4.35Å; V1870-L1935 HydrophobicContact CG2-CD1 3.69Å; V1870-L1935 HydrophobicContact CG2-CG 4.49Å |
| 1871 | E | 80 | Confident | 83.9 | Confident | 129 Ų | 129 | 64.8 Ų | 64.8 | 60% | 0.603 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63 | -46.4 | -178.3 | -171.1 | 178.6 | 177.3 | 0 | 0 | 111.7 | L1873 F1874 N1875 | E1871-L1873 VanDerWaalsContact C-N 3.34Å; E1871-L1873 PolarHBondContact O-N 3.37Å; E1871-F1874 PolarHBondContact O-N 2.89Å; E1871-N1875 PolarHBondContact O-N 2.9Å; E1871-N1875 VanDerWaalsContact O-N 3.08Å; E1871-N1875 PolarHBondContact O-ND2 3.07Å |
| 1872 | R | 82.4 | Confident | 83.3 | Confident | 102 Ų | 102 | 74 Ų | 74 | 39% | 0.385 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 178.8 | -169.5 | 171.3 | 179.4 | 175.2 | -1.1 | 111.7 | E1868 L1869 N1875 I1876 | E1868-R1872 PolarHBondContact O-N 3.15Å; L1869-R1872 PolarHBondContact O-N 3.38Å; R1872-N1875 PolarHBondContact O-N 3.19Å; R1872-I1876 HydrophobicContact CG-CD1 4.08Å; R1872-I1876 WeakPolarHBondContact O-CG1 3.35Å; R1872-I1876 PolarHBondContact O-N 3.47Å |
| 1873 | L | 85.9 | Confident | 82.7 | Confident | 2 Ų | 2 | 76.5 Ų | 76.5 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.6 | -42.4 | 178.7 | -74.1 | 168.9 | 0 | 0 | 0 | 112.5 | I1816 L1869 V1870 E1871 N1875 I1876 V1877 L1918 L1935 L1939 | I1816-L1873 HydrophobicContact CD1-CD2 3.4Å; I1816-L1873 VanDerWaalsContact CD1-CD2 3.4Å; I1816-L1873 HydrophobicContact CD1-CG 4.33Å; I1816-L1873 HydrophobicContact CG2-CD2 4.39Å; L1869-L1873 HydrophobicContact CB-CD1 4.46Å; L1869-L1873 VanDerWaalsContact O-CB 3.24Å; L1869-L1873 WeakPolarHBondContact O-CB 3.42Å; L1869-L1873 WeakPolarHBondContact O-CD1 3.45Å; L1869-L1873 WeakPolarHBondContact O-CG 3.47Å; L1869-L1873 PolarHBondContact O-N 3.03Å; V1870-L1873 PolarHBondContact O-N 3.21Å; E1871-L1873 VanDerWaalsContact C-N 3.34Å; E1871-L1873 PolarHBondContact O-N 3.37Å; L1873-N1875 VanDerWaalsContact C-N 3.26Å; L1873-N1875 PolarHBondContact O-N 3.23Å; L1873-I1876 PolarHBondContact O-N 2.8Å; L1873-V1877 VanDerWaalsContact O-CB 3.32Å; L1873-V1877 WeakPolarHBondContact O-CB 3.23Å; L1873-V1877 WeakPolarHBondContact O-CG2 3.34Å; L1873-V1877 PolarHBondContact O-N 2.88Å; L1873-L1918 HydrophobicContact CD2-CD1 3.44Å; L1873-L1918 VanDerWaalsContact CD2-CD1 3.44Å; L1873-L1935 HydrophobicContact CB-CD1 4.5Å; L1873-L1935 HydrophobicContact CD1-CD1 4Å; L1873-L1935 HydrophobicContact CD1-CD2 3.6Å; L1873-L1935 HydrophobicContact CD1-CG 4.29Å; L1873-L1939 HydrophobicContact CB-CD1 4.26Å; L1873-L1939 HydrophobicContact CB-CD2 4.15Å; L1873-L1939 HydrophobicContact CD1-CD1 4.39Å |
| 1874 | F | 85.4 | Confident | 81.7 | Confident | 48 Ų | 48 | 71.7 Ų | 71.7 | 21% | 0.211 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -56.3 | -43.3 | 174.3 | -87.5 | -64.9 | 0 | 0 | 0 | 111.7 | V1870 E1871 R1878 N1938 L1939 L1942 | V1870-F1874 HydrophobicContact CG1-CD2 3.49Å; V1870-F1874 VanDerWaalsContact CG1-CD2 3.49Å; V1870-F1874 HydrophobicContact CG1-CE2 3.36Å; V1870-F1874 WeakPolarHBondContact O-CB 3.35Å; V1870-F1874 WeakPolarHBondContact O-CD2 3.36Å; V1870-F1874 PolarHBondContact O-N 3.27Å; E1871-F1874 PolarHBondContact O-N 2.89Å; F1874-R1878 VanDerWaalsContact O-CB 3.32Å; F1874-R1878 WeakPolarHBondContact O-CB 3.46Å; F1874-R1878 VanDerWaalsContact O-CG 3.28Å; F1874-R1878 WeakPolarHBondContact O-CG 3.38Å; F1874-R1878 PolarHBondContact O-N 3.35Å; F1874-N1938 HydrophobicContact CE1-CB 4.34Å; F1874-N1938 HydrophobicContact CE2-CB 4.33Å; F1874-N1938 HydrophobicContact CZ-CB 3.62Å; F1874-L1939 HydrophobicContact CD1-CD2 4Å; F1874-L1939 HydrophobicContact CE1-CD2 4.35Å; F1874-L1939 HydrophobicContact CG-CD2 4.25Å; F1874-L1942 HydrophobicContact CD1-CB 4.36Å; F1874-L1942 HydrophobicContact CD1-CD1 4.4Å; F1874-L1942 HydrophobicContact CD1-CD2 3.61Å; F1874-L1942 HydrophobicContact CD1-CG 4.32Å; F1874-L1942 HydrophobicContact CE1-CB 4.14Å; F1874-L1942 HydrophobicContact CE1-CD2 4.24Å |
| 1875 | N | 84.9 | Confident | 80.6 | Confident | 85 Ų | 85 | 74.9 Ų | 74.9 | 46% | 0.455 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.2 | -44.7 | 178.4 | -73.7 | -26 | 0 | 0 | 0 | 112.4 | E1871 R1872 L1873 K1879 | E1871-N1875 PolarHBondContact O-N 2.9Å; E1871-N1875 VanDerWaalsContact O-N 3.08Å; E1871-N1875 PolarHBondContact O-ND2 3.07Å; R1872-N1875 PolarHBondContact O-N 3.19Å; L1873-N1875 VanDerWaalsContact C-N 3.26Å; L1873-N1875 PolarHBondContact O-N 3.23Å; N1875-K1879 VanDerWaalsContact O-CB 3.31Å; N1875-K1879 WeakPolarHBondContact O-CB 3.28Å; N1875-K1879 PolarHBondContact O-N 3.16Å |
| 1876 | I | 86.9 | Confident | 79.2 | Confident | 52 Ų | 52 | 80.3 Ų | 80.3 | 27% | 0.267 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.1 | -46.5 | 177.7 | -68.8 | 168.6 | 0 | 0 | 0 | 110.9 | I1816 R1872 L1873 K1879 I1880 L1914 | I1816-I1876 HydrophobicContact CD1-CD1 3.6Å; I1816-I1876 HydrophobicContact CG1-CD1 4.29Å; R1872-I1876 HydrophobicContact CG-CD1 4.08Å; R1872-I1876 WeakPolarHBondContact O-CG1 3.35Å; R1872-I1876 PolarHBondContact O-N 3.47Å; L1873-I1876 PolarHBondContact O-N 2.8Å; I1876-K1879 PolarHBondContact O-N 2.66Å; I1876-I1880 HydrophobicContact CG2-CD1 3.83Å; I1876-I1880 HydrophobicContact CG2-CG1 4.46Å; I1876-I1880 WeakPolarHBondContact O-CG1 3.34Å; I1876-I1880 PolarHBondContact O-N 2.72Å; I1876-L1914 HydrophobicContact CG2-CD2 3.74Å |
| 1877 | V | 86.9 | Confident | 77.8 | Confident | 1 Ų | 1 | 81.2 Ų | 81.2 | 1% | 0.006 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64 | -43.8 | -179.9 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | L1873 K1879 I1880 Q1881 A1911 C1915 L1939 L1942 I1943 | L1873-V1877 VanDerWaalsContact O-CB 3.32Å; L1873-V1877 WeakPolarHBondContact O-CB 3.23Å; L1873-V1877 WeakPolarHBondContact O-CG2 3.34Å; L1873-V1877 PolarHBondContact O-N 2.88Å; V1877-K1879 PolarHBondContact O-N 2.93Å; V1877-I1880 PolarHBondContact O-N 3.44Å; V1877-Q1881 WeakPolarHBondContact O-CB 3.18Å; V1877-Q1881 PolarHBondContact O-N 3.47Å; V1877-A1911 HydrophobicContact CG1-CB 4.21Å; V1877-C1915 WeakPolarHBondContact CG2-SG 3.27Å; V1877-L1939 HydrophobicContact CG2-CD2 4.15Å; V1877-L1942 HydrophobicContact CB-CD2 4.1Å; V1877-L1942 HydrophobicContact CG1-CD2 3.74Å; V1877-I1943 HydrophobicContact CG1-CG2 3.42Å; V1877-I1943 VanDerWaalsContact CG1-CG2 3.42Å |
| 1878 | R | 83.4 | Confident | 76.2 | Confident | 145 Ų | 145 | 78.9 Ų | 78.9 | 55% | 0.547 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.5 | -43.9 | 172.6 | -79.5 | 177.5 | 174.6 | 174.7 | -1.1 | 112.2 | F1874 Q1881 R1882 L1942 | F1874-R1878 VanDerWaalsContact O-CB 3.32Å; F1874-R1878 WeakPolarHBondContact O-CB 3.46Å; F1874-R1878 VanDerWaalsContact O-CG 3.28Å; F1874-R1878 WeakPolarHBondContact O-CG 3.38Å; F1874-R1878 PolarHBondContact O-N 3.35Å; R1878-Q1881 PolarHBondContact O-N 2.85Å; R1878-R1882 WeakPolarHBondContact O-CB 3.22Å; R1878-R1882 PolarHBondContact O-N 3.47Å; R1878-L1942 HydrophobicContact CG-CD1 4.01Å; R1878-L1942 HydrophobicContact CG-CD2 3.72Å; R1878-L1942 HydrophobicContact CG-CG 4.32Å |
| 1879 | K | 84.1 | Confident | 74.6 | Confident | 144 Ų | 144 | 77.1 Ų | 77.1 | 63% | 0.626 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63.8 | -43.3 | 179.2 | -171.5 | 176.7 | -178.3 | 179.9 | 0 | 111.3 | N1875 I1876 V1877 N1883 | N1875-K1879 VanDerWaalsContact O-CB 3.31Å; N1875-K1879 WeakPolarHBondContact O-CB 3.28Å; N1875-K1879 PolarHBondContact O-N 3.16Å; I1876-K1879 PolarHBondContact O-N 2.66Å; V1877-K1879 PolarHBondContact O-N 2.93Å; K1879-N1883 VanDerWaalsContact O-CB 3.28Å; K1879-N1883 WeakPolarHBondContact O-CB 3.49Å; K1879-N1883 PolarHBondContact O-N 3.34Å; K1879-N1883 PolarHBondContact O-ND2 2.83Å |
| 1880 | I | 83.2 | Confident | 72.8 | Confident | 45 Ų | 45 | 83.2 Ų | 83.2 | 23% | 0.231 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64 | -45.2 | 175.5 | -68.5 | 169.9 | 0 | 0 | 0 | 110.5 | I1876 V1877 R1882 N1883 A1884 P1910 A1911 L1914 | I1876-I1880 HydrophobicContact CG2-CD1 3.83Å; I1876-I1880 HydrophobicContact CG2-CG1 4.46Å; I1876-I1880 WeakPolarHBondContact O-CG1 3.34Å; I1876-I1880 PolarHBondContact O-N 2.72Å; V1877-I1880 PolarHBondContact O-N 3.44Å; I1880-R1882 PolarHBondContact O-N 3.16Å; I1880-N1883 PolarHBondContact O-N 3.19Å; I1880-A1884 WeakPolarHBondContact O-CB 3.36Å; I1880-A1884 PolarHBondContact O-N 2.97Å; I1880-P1910 HydrophobicContact CG2-CB 3.83Å; I1880-A1911 HydrophobicContact CB-CB 4.45Å; I1880-A1911 HydrophobicContact CG2-CB 3.94Å; I1880-L1914 HydrophobicContact CD1-CD2 3.44Å; I1880-L1914 VanDerWaalsContact CD1-CD2 3.44Å |
| 1881 | Q | 76.2 | Confident | 71.1 | Confident | 73 Ų | 73 | 83.2 Ų | 83.2 | 34% | 0.341 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.4 | -46.9 | 179 | -165.1 | 169.4 | 3.3 | 0 | 0 | 111 | V1877 R1878 N1883 A1884 S1885 | V1877-Q1881 WeakPolarHBondContact O-CB 3.18Å; V1877-Q1881 PolarHBondContact O-N 3.47Å; R1878-Q1881 PolarHBondContact O-N 2.85Å; Q1881-N1883 PolarHBondContact O-N 3.18Å; Q1881-A1884 PolarHBondContact O-N 2.97Å; Q1881-S1885 PolarHBondContact O-N 3.43Å; Q1881-S1885 PolarHBondContact O-OG 3.15Å |
| 1882 | R | 75.2 | Confident | 69.9 | Low | 195 Ų | 195 | 78.6 Ų | 78.6 | 74% | 0.736 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -59.1 | -46.5 | 175.2 | -169.8 | 177.4 | -177.8 | 173.7 | 0.5 | 112 | R1878 I1880 S1885 V1886 | R1878-R1882 WeakPolarHBondContact O-CB 3.22Å; R1878-R1882 PolarHBondContact O-N 3.47Å; I1880-R1882 PolarHBondContact O-N 3.16Å; R1882-S1885 PolarHBondContact O-N 2.89Å; R1882-V1886 VanDerWaalsContact O-CG2 3.29Å; R1882-V1886 WeakPolarHBondContact O-CG2 3.32Å; R1882-V1886 PolarHBondContact O-N 3.33Å |
| 1883 | N | 75.7 | Confident | 68.8 | Low | 79 Ų | 79 | 77.3 Ų | 77.3 | 42% | 0.422 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -71.9 | -36.3 | -178.1 | -72.7 | -11.8 | 0 | 0 | 0 | 112.9 | K1879 I1880 Q1881 V1886 K1887 | K1879-N1883 VanDerWaalsContact O-CB 3.28Å; K1879-N1883 WeakPolarHBondContact O-CB 3.49Å; K1879-N1883 PolarHBondContact O-N 3.34Å; K1879-N1883 PolarHBondContact O-ND2 2.83Å; I1880-N1883 PolarHBondContact O-N 3.19Å; Q1881-N1883 PolarHBondContact O-N 3.18Å; N1883-V1886 PolarHBondContact O-N 3.36Å; N1883-K1887 PolarHBondContact O-N 2.89Å |
| 1884 | A | 65.8 | Low | 67.4 | Low | 10 Ų | 10 | 80.1 Ų | 80.1 | 8% | 0.083 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -67 | -41.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110 | I1880 Q1881 V1886 K1887 V1888 F1893 | I1880-A1884 WeakPolarHBondContact O-CB 3.36Å; I1880-A1884 PolarHBondContact O-N 2.97Å; Q1881-A1884 PolarHBondContact O-N 2.97Å; A1884-V1886 VanDerWaalsContact C-N 3.27Å; A1884-V1886 PolarHBondContact O-N 3.22Å; A1884-K1887 PolarHBondContact O-N 2.9Å; A1884-V1888 WeakPolarHBondContact O-CB 3.47Å; A1884-V1888 WeakPolarHBondContact O-CG2 3.16Å; A1884-V1888 PolarHBondContact O-N 3.34Å; A1884-F1893 HydrophobicContact CB-CD1 4.23Å; A1884-F1893 HydrophobicContact CB-CE1 3.71Å |
| 1885 | S | 62.1 | Low | 66.4 | Low | 83 Ų | 83 | 80 Ų | 80 | 58% | 0.58 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -57.3 | -38.1 | 171.4 | -57.6 | 0 | 0 | 0 | 0 | 112.9 | Q1881 R1882 | Q1881-S1885 PolarHBondContact O-N 3.43Å; Q1881-S1885 PolarHBondContact O-OG 3.15Å; R1882-S1885 PolarHBondContact O-N 2.89Å |
| 1886 | V | 56.3 | Low | 65.6 | Low | 114 Ų | 114 | 79.7 Ų | 79.7 | 69% | 0.691 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -74.2 | -37.6 | -179.7 | 173.8 | 0 | 0 | 0 | 0 | 112.6 | R1882 N1883 A1884 | R1882-V1886 VanDerWaalsContact O-CG2 3.29Å; R1882-V1886 WeakPolarHBondContact O-CG2 3.32Å; R1882-V1886 PolarHBondContact O-N 3.33Å; N1883-V1886 PolarHBondContact O-N 3.36Å; A1884-V1886 VanDerWaalsContact C-N 3.27Å; A1884-V1886 PolarHBondContact O-N 3.22Å |
| 1887 | K | 52.5 | Low | 64.8 | Low | 158 Ų | 158 | 79.4 Ų | 79.4 | 69% | 0.687 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -84.5 | -11.5 | -176.2 | -72.7 | -171.7 | 176.3 | -175.2 | 0 | 114.7 | N1883 A1884 G1889 | N1883-K1887 PolarHBondContact O-N 2.89Å; A1884-K1887 PolarHBondContact O-N 2.9Å; K1887-G1889 VanDerWaalsContact C-N 3.29Å; K1887-G1889 PolarHBondContact O-N 3.32Å |
| 1888 | V | 47.1 | Very low | 63.9 | Low | 44 Ų | 44 | 82.9 Ų | 82.9 | 27% | 0.267 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -80.2 | -1.9 | -172.1 | 167.6 | 0 | 0 | 0 | 0 | 114.6 | A1884 Q1890 F1893 | A1884-V1888 WeakPolarHBondContact O-CB 3.47Å; A1884-V1888 WeakPolarHBondContact O-CG2 3.16Å; A1884-V1888 PolarHBondContact O-N 3.34Å; V1888-Q1890 PolarHBondContact O-N 2.87Å; V1888-F1893 HydrophobicContact CB-CE2 4.36Å; V1888-F1893 HydrophobicContact CB-CZ 4.35Å; V1888-F1893 HydrophobicContact CG1-CD2 4.09Å; V1888-F1893 HydrophobicContact CG1-CE2 3.77Å; V1888-F1893 HydrophobicContact CG1-CZ 4.23Å; V1888-F1893 HydrophobicContact CG2-CD1 3.67Å; V1888-F1893 HydrophobicContact CG2-CD2 3.92Å; V1888-F1893 HydrophobicContact CG2-CE1 3.58Å; V1888-F1893 HydrophobicContact CG2-CE2 3.81Å; V1888-F1893 HydrophobicContact CG2-CG 3.85Å; V1888-F1893 HydrophobicContact CG2-CZ 3.64Å |
| 1889 | G | 49.2 | Very low | 63 | Low | 75 Ų | 75 | 85.2 Ų | 85.2 | 77% | 0.773 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -59.6 | -11.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | K1887 | K1887-G1889 VanDerWaalsContact C-N 3.29Å; K1887-G1889 PolarHBondContact O-N 3.32Å |
| 1890 | Q | 43.2 | Very low | 62.4 | Low | 138 Ų | 138 | 85 Ų | 85 | 65% | 0.645 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -127.8 | -71.7 | -180 | -79.5 | -170.5 | 11.3 | 0 | 0 | 113 | V661 V1888 G1892 | V661-Q1890 WeakPolarHBondContact CB-O 3.4Å; V661-Q1890 WeakPolarHBondContact CG1-O 3.42Å; V661-Q1890 HydrophobicContact CG2-CB 3.24Å; V661-Q1890 HydrophobicContact CG2-CG 3.94Å; V661-Q1890 WeakPolarHBondContact CG2-O 3.46Å; V1888-Q1890 PolarHBondContact O-N 2.87Å; Q1890-G1892 PolarHBondContact O-N 2.9Å |
| 1891 | G | 47.2 | Very low | 61.9 | Low | 25 Ų | 25 | 85.3 Ų | 85.3 | 26% | 0.258 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -82.8 | -4.7 | -162.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||
| 1892 | G | 53.7 | Low | 61.8 | Low | 33 Ų | 33 | 82.1 Ų | 82.1 | 34% | 0.34 | 44% | 0.44 | S | S | . | . | trans | 64.8 | 150.2 | -162.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q1890 S1894 S1895 | Q1890-G1892 PolarHBondContact O-N 2.9Å; G1892-S1894 PolarHBondContact O-N 3.37Å; G1892-S1894 VanDerWaalsContact O-N 3.09Å; G1892-S1895 WeakPolarHBondContact O-CB 3.46Å; G1892-S1895 PolarHBondContact O-N 2.97Å; G1892-S1895 VanDerWaalsContact O-N 3.15Å; G1892-S1895 PolarHBondContact O-OG 3.33Å | ||
| 1893 | F | 59.9 | Low | 61.9 | Low | 75 Ų | 75 | 75.1 Ų | 75.1 | 33% | 0.329 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -60.3 | -26.3 | -169.3 | -70 | -92.9 | 0 | 0 | 0 | 115.6 | A1884 V1888 S1895 L1896 N1908 | A1884-F1893 HydrophobicContact CB-CD1 4.23Å; A1884-F1893 HydrophobicContact CB-CE1 3.71Å; V1888-F1893 HydrophobicContact CB-CE2 4.36Å; V1888-F1893 HydrophobicContact CB-CZ 4.35Å; V1888-F1893 HydrophobicContact CG1-CD2 4.09Å; V1888-F1893 HydrophobicContact CG1-CE2 3.77Å; V1888-F1893 HydrophobicContact CG1-CZ 4.23Å; V1888-F1893 HydrophobicContact CG2-CD1 3.67Å; V1888-F1893 HydrophobicContact CG2-CD2 3.92Å; V1888-F1893 HydrophobicContact CG2-CE1 3.58Å; V1888-F1893 HydrophobicContact CG2-CE2 3.81Å; V1888-F1893 HydrophobicContact CG2-CG 3.85Å; V1888-F1893 HydrophobicContact CG2-CZ 3.64Å; F1893-S1895 PolarHBondContact O-N 2.68Å; F1893-L1896 PolarHBondContact O-N 3.39Å; F1893-N1908 HydrophobicContact CB-CB 4.43Å; F1893-N1908 WeakPolarHBondContact CB-O 3.11Å; F1893-N1908 VanDerWaalsContact CG-O 3.22Å; F1893-N1908 WeakPolarHBondContact CG-O 3.41Å |
| 1894 | S | 57 | Low | 61.9 | Low | 61 Ų | 61 | 75.2 Ų | 75.2 | 43% | 0.427 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -64 | -19.9 | 179.6 | -37.1 | 0 | 0 | 0 | 0 | 113.6 | G1892 L1896 N1908 | G1892-S1894 PolarHBondContact O-N 3.37Å; G1892-S1894 VanDerWaalsContact O-N 3.09Å; S1894-L1896 VanDerWaalsContact C-N 3.26Å; S1894-L1896 PolarHBondContact O-N 3.22Å; S1894-N1908 PolarHBondContact OG-OD1 3.4Å |
| 1895 | S | 64.9 | Low | 62.5 | Low | 45 Ų | 45 | 76.8 Ų | 76.8 | 32% | 0.315 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -68.3 | -22 | 177 | 59.9 | 0 | 0 | 0 | 0 | 114.1 | G1892 F1893 F1897 | G1892-S1895 WeakPolarHBondContact O-CB 3.46Å; G1892-S1895 PolarHBondContact O-N 2.97Å; G1892-S1895 VanDerWaalsContact O-N 3.15Å; G1892-S1895 PolarHBondContact O-OG 3.33Å; F1893-S1895 PolarHBondContact O-N 2.68Å; S1895-F1897 VanDerWaalsContact C-N 3.34Å |
| 1896 | L | 67.8 | Low | 63 | Low | 79 Ų | 79 | 82 Ų | 82 | 41% | 0.414 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -80.9 | -15.2 | -173.8 | -63.4 | 172 | 0 | 0 | 0 | 113.1 | F1893 S1894 P1910 | F1893-L1896 PolarHBondContact O-N 3.39Å; S1894-L1896 VanDerWaalsContact C-N 3.26Å; S1894-L1896 PolarHBondContact O-N 3.22Å; L1896-P1910 HydrophobicContact CB-CG 4.38Å; L1896-P1910 HydrophobicContact CD1-CG 3.97Å |
| 1897 | F | 68.9 | Low | 64 | Low | 45 Ų | 45 | 77.7 Ų | 77.7 | 20% | 0.197 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -100.3 | 124.3 | -178.7 | -70.2 | -89.7 | 0 | 0 | 0 | 111.1 | S1895 R1899 M1907 P1910 E1913 | S1895-F1897 VanDerWaalsContact C-N 3.34Å; F1897-R1899 PolarHBondContact O-N 2.87Å; F1897-M1907 HydrophobicContact CD1-CB 3.93Å; F1897-M1907 HydrophobicContact CD1-CE 4.23Å; F1897-M1907 HydrophobicContact CD1-SD 4.01Å; F1897-M1907 HydrophobicContact CD2-CB 3.78Å; F1897-M1907 VanDerWaalsContact CD2-O 3.23Å; F1897-M1907 WeakPolarHBondContact CD2-O 3.36Å; F1897-M1907 HydrophobicContact CE1-CB 3.89Å; F1897-M1907 HydrophobicContact CE1-SD 4.06Å; F1897-M1907 HydrophobicContact CE2-CB 3.74Å; F1897-M1907 WeakPolarHBondContact CE2-O 3.42Å; F1897-M1907 HydrophobicContact CG-CB 3.85Å; F1897-M1907 HydrophobicContact CZ-CB 3.76Å; F1897-P1910 HydrophobicContact CE2-CB 4.39Å; F1897-P1910 HydrophobicContact CE2-CG 3.73Å; F1897-P1910 VanDerWaalsContact CZ-CA 3.47Å; F1897-P1910 HydrophobicContact CZ-CB 4.1Å; F1897-P1910 HydrophobicContact CZ-CG 3.94Å; F1897-E1913 HydrophobicContact CE1-CB 4.07Å; F1897-E1913 HydrophobicContact CE1-CG 4.02Å; F1897-E1913 HydrophobicContact CZ-CB 4.02Å; F1897-E1913 HydrophobicContact CZ-CG 3.7Å |
| 1898 | P | 68.7 | Low | 65.2 | Low | 74 Ų | 74 | 73.9 Ų | 73.9 | 48% | 0.481 | 39% | 0.393 | S | S | . | . | trans | -61.5 | 135.3 | 172 | 25.5 | -33.3 | 0 | 0 | 0 | 110.6 | Y1900 | P1898-Y1900 HydrophobicContact CB-CD2 4.26Å; P1898-Y1900 HydrophobicContact CB-CE2 3.68Å; P1898-Y1900 HydrophobicContact CG-CD2 4.18Å; P1898-Y1900 HydrophobicContact CG-CE2 3.42Å; P1898-Y1900 VanDerWaalsContact CG-CE2 3.42Å; P1898-Y1900 PolarHBondContact O-N 2.86Å | ||
| 1899 | R | 64.3 | Low | 66.9 | Low | 195 Ų | 195 | 74.2 Ų | 74.2 | 74% | 0.736 | 39% | 0.393 | S | S | * | . | trans | -90.2 | 95.8 | 175.8 | -73.5 | -171 | -178.4 | -173.1 | 0.6 | 110.1 | F1897 Y2069 | F1897-R1899 PolarHBondContact O-N 2.87Å; R1899-Y2069 PolarHBondContact O-OH 2.92Å | ||
| 1900 | Y | 72 | Confident | 68.6 | Low | 138 Ų | 138 | 71.9 Ų | 71.9 | 54% | 0.541 | 37% | 0.365 | S | S | . | . | trans | -84.8 | 157.7 | 170.8 | -63.4 | -70.9 | 0 | 0 | 0 | 111.6 | P1898 G1902 T1903 | P1898-Y1900 HydrophobicContact CB-CD2 4.26Å; P1898-Y1900 HydrophobicContact CB-CE2 3.68Å; P1898-Y1900 HydrophobicContact CG-CD2 4.18Å; P1898-Y1900 HydrophobicContact CG-CE2 3.42Å; P1898-Y1900 VanDerWaalsContact CG-CE2 3.42Å; P1898-Y1900 PolarHBondContact O-N 2.86Å; Y1900-G1902 PolarHBondContact O-N 3.42Å; Y1900-T1903 PolarHBondContact N-OG1 3.28Å; Y1900-T1903 VanDerWaalsContact O-CB 3.28Å; Y1900-T1903 WeakPolarHBondContact O-CB 3.34Å; Y1900-T1903 PolarHBondContact O-N 3.4Å; Y1900-T1903 PolarHBondContact O-OG1 2.97Å | ||
| 1901 | I | 71.8 | Confident | 70.8 | Confident | 53 Ų | 53 | 65.4 Ų | 65.4 | 27% | 0.272 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 131.4 | 172.8 | -48.2 | -166.6 | 0 | 0 | 0 | 108.8 | V2066 Y2069 I2070 | I1901-V2066 HydrophobicContact CG2-CG1 4.49Å; I1901-Y2069 HydrophobicContact CB-CD1 4.11Å; I1901-Y2069 HydrophobicContact CB-CE1 4.4Å; I1901-Y2069 HydrophobicContact CD1-CD1 4.1Å; I1901-Y2069 HydrophobicContact CD1-CE1 4.29Å; I1901-Y2069 HydrophobicContact CG1-CD1 3.57Å; I1901-Y2069 HydrophobicContact CG1-CE1 3.58Å; I1901-Y2069 HydrophobicContact CG2-CD1 4.11Å; I1901-I2070 HydrophobicContact CG2-CD1 4.18Å; I1901-I2070 HydrophobicContact CG2-CG1 3.55Å |
| 1902 | G | 75 | Confident | 72.7 | Confident | 5 Ų | 5 | 64.5 Ų | 64.5 | 5% | 0.052 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | -6.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y1900 Y1904 L1959 | Y1900-G1902 PolarHBondContact O-N 3.42Å; G1902-Y1904 PolarHBondContact O-N 3.48Å; G1902-Y1904 VanDerWaalsContact O-N 3.11Å; G1902-L1959 WeakPolarHBondContact O-CB 3.33Å; G1902-L1959 WeakPolarHBondContact O-CG 3.3Å; G1902-L1959 PolarHBondContact O-N 2.94Å |
| 1903 | T | 77.9 | Confident | 74.3 | Confident | 48 Ų | 48 | 64 Ų | 64 | 29% | 0.294 | 31% | 0.313 | S | S | . | . | B | Isolated β-bridge | trans | -67.6 | 110.7 | 175.7 | -51.5 | 0 | 0 | 0 | 0 | 110.6 | Y1900 M1907 | Y1900-T1903 PolarHBondContact N-OG1 3.28Å; Y1900-T1903 VanDerWaalsContact O-CB 3.28Å; Y1900-T1903 WeakPolarHBondContact O-CB 3.34Å; Y1900-T1903 PolarHBondContact O-N 3.4Å; Y1900-T1903 PolarHBondContact O-OG1 2.97Å; T1903-M1907 HydrophobicContact CG2-CE 3.62Å |
| 1904 | Y | 75.3 | Confident | 75.7 | Confident | 81 Ų | 81 | 62.9 Ų | 62.9 | 32% | 0.318 | 31% | 0.31 | S | S | . | . | trans | -116.4 | -18.5 | -178 | 75.7 | -72.9 | 0 | 0 | 0 | 113.8 | G1902 N1956 L1959 | G1902-Y1904 PolarHBondContact O-N 3.48Å; G1902-Y1904 VanDerWaalsContact O-N 3.11Å; Y1904-N1956 WeakPolarHBondContact CE1-O 3.44Å; Y1904-N1956 VanDerWaalsContact CZ-O 3.31Å; Y1904-N1956 PolarHBondContact OH-O 2.85Å; Y1904-L1959 HydrophobicContact CD1-CD1 4.14Å; Y1904-L1959 HydrophobicContact CD1-CD2 3.63Å; Y1904-L1959 HydrophobicContact CD1-CG 3.45Å; Y1904-L1959 VanDerWaalsContact CD1-CG 3.45Å; Y1904-L1959 HydrophobicContact CD2-CD2 4.47Å; Y1904-L1959 HydrophobicContact CE1-CD2 3.76Å; Y1904-L1959 HydrophobicContact CE1-CG 4.05Å; Y1904-L1959 HydrophobicContact CG-CD1 4.02Å; Y1904-L1959 HydrophobicContact CG-CD2 4Å; Y1904-L1959 HydrophobicContact CG-CG 3.84Å | ||
| 1905 | L | 76.7 | Confident | 77.2 | Confident | 43 Ų | 43 | 60.2 Ų | 60.2 | 23% | 0.225 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -82.1 | 133.7 | 176.3 | -62.4 | -177.4 | 0 | 0 | 0 | 110.3 | M1907 K1955 T1957 | L1905-M1907 HydrophobicContact CB-CG 4.34Å; L1905-M1907 PolarHBondContact O-N 3.22Å; L1905-M1907 VanDerWaalsContact O-N 3.08Å; L1905-K1955 HydrophobicContact CD1-CB 3.7Å; L1905-T1957 HydrophobicContact CD1-CG2 4.15Å |
| 1906 | K | 73.9 | Confident | 78.3 | Confident | 193 Ų | 193 | 58.8 Ų | 58.8 | 84% | 0.839 | 28% | 0.279 | S | S | * | . | trans | -80.8 | 86.4 | 173.4 | -68.5 | -177.8 | -178 | 176.6 | 0 | 109.2 | N1908 | K1906-N1908 PolarHBondContact O-N 3.06Š| ||
| 1907 | M | 77.3 | Confident | 79.3 | Confident | 24 Ų | 24 | 57 Ų | 57 | 12% | 0.118 | 27% | 0.273 | C | S | . | . | trans | -78.9 | 115.8 | -179.7 | -65.6 | 177.9 | -76.4 | 0 | 0 | 110.4 | F1897 T1903 L1905 E1913 T1957 | F1897-M1907 HydrophobicContact CD1-CB 3.93Å; F1897-M1907 HydrophobicContact CD1-CE 4.23Å; F1897-M1907 HydrophobicContact CD1-SD 4.01Å; F1897-M1907 HydrophobicContact CD2-CB 3.78Å; F1897-M1907 VanDerWaalsContact CD2-O 3.23Å; F1897-M1907 WeakPolarHBondContact CD2-O 3.36Å; F1897-M1907 HydrophobicContact CE1-CB 3.89Å; F1897-M1907 HydrophobicContact CE1-SD 4.06Å; F1897-M1907 HydrophobicContact CE2-CB 3.74Å; F1897-M1907 WeakPolarHBondContact CE2-O 3.42Å; F1897-M1907 HydrophobicContact CG-CB 3.85Å; F1897-M1907 HydrophobicContact CZ-CB 3.76Å; T1903-M1907 HydrophobicContact CG2-CE 3.62Å; L1905-M1907 HydrophobicContact CB-CG 4.34Å; L1905-M1907 PolarHBondContact O-N 3.22Å; L1905-M1907 VanDerWaalsContact O-N 3.08Å; M1907-E1913 HydrophobicContact CB-CG 4.03Å; M1907-E1913 HydrophobicContact CG-CG 3.91Å; M1907-E1913 HydrophobicContact SD-CG 4.26Å; M1907-T1957 HydrophobicContact SD-CG2 3.59Å; M1907-T1957 VanDerWaalsContact SD-CG2 3.59Å | ||
| 1908 | N | 76.7 | Confident | 80.2 | Confident | 78 Ų | 78 | 55.8 Ų | 55.8 | 42% | 0.417 | 27% | 0.269 | S | S | . | . | trans | -126.2 | 0.9 | -174.6 | -65.2 | -19.7 | 0 | 0 | 0 | 113.2 | F1893 S1894 K1906 | F1893-N1908 HydrophobicContact CB-CB 4.43Å; F1893-N1908 WeakPolarHBondContact CB-O 3.11Å; F1893-N1908 VanDerWaalsContact CG-O 3.22Å; F1893-N1908 WeakPolarHBondContact CG-O 3.41Å; S1894-N1908 PolarHBondContact OG-OD1 3.4Å; K1906-N1908 PolarHBondContact O-N 3.06Å | ||
| 1909 | N | 83.3 | Confident | 81.2 | Confident | 50 Ų | 50 | 52.6 Ų | 52.6 | 27% | 0.267 | 25% | 0.248 | S | C | . | . | trans | -139.7 | 94.9 | -180 | -176.9 | -16.7 | 0 | 0 | 0 | 109.1 | A1911 L1912 E1913 | N1909-A1911 PolarHBondContact O-N 2.89Å; N1909-A1911 WeakPolarHBondContact OD1-CB 3.33Å; N1909-A1911 PolarHBondContact OD1-N 3.13Å; N1909-A1911 VanDerWaalsContact OD1-N 3.17Å; N1909-L1912 HydrophobicContact CB-CB 3.74Å; N1909-L1912 HydrophobicContact CB-CD2 4.46Å; N1909-L1912 VanDerWaalsContact CG-CB 3.48Å; N1909-L1912 PolarHBondContact O-N 2.78Å; N1909-L1912 VanDerWaalsContact O-N 3.1Å; N1909-L1912 PolarHBondContact OD1-N 3.04Å; N1909-E1913 PolarHBondContact O-N 2.92Å | ||
| 1910 | P | 85.9 | Confident | 82.4 | Confident | 27 Ų | 27 | 45.5 Ų | 45.5 | 18% | 0.175 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -52.6 | -36.6 | 179.3 | -27.3 | 35.2 | 0 | 0 | 0 | 113.8 | I1880 L1896 F1897 L1914 | I1880-P1910 HydrophobicContact CG2-CB 3.83Å; L1896-P1910 HydrophobicContact CB-CG 4.38Å; L1896-P1910 HydrophobicContact CD1-CG 3.97Å; F1897-P1910 HydrophobicContact CE2-CB 4.39Å; F1897-P1910 HydrophobicContact CE2-CG 3.73Å; F1897-P1910 VanDerWaalsContact CZ-CA 3.47Å; F1897-P1910 HydrophobicContact CZ-CB 4.1Å; F1897-P1910 HydrophobicContact CZ-CG 3.94Å; P1910-L1914 WeakPolarHBondContact O-CB 3.46Å; P1910-L1914 PolarHBondContact O-N 2.96Å; P1910-L1914 VanDerWaalsContact O-N 3.07Å |
| 1911 | A | 87.6 | Confident | 83.1 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.1 | -46.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V1877 I1880 N1909 L1914 C1915 I1943 | V1877-A1911 HydrophobicContact CG1-CB 4.21Å; I1880-A1911 HydrophobicContact CB-CB 4.45Å; I1880-A1911 HydrophobicContact CG2-CB 3.94Å; N1909-A1911 PolarHBondContact O-N 2.89Å; N1909-A1911 WeakPolarHBondContact OD1-CB 3.33Å; N1909-A1911 PolarHBondContact OD1-N 3.13Å; N1909-A1911 VanDerWaalsContact OD1-N 3.17Å; A1911-L1914 PolarHBondContact O-N 3.11Å; A1911-C1915 PolarHBondContact O-N 2.88Å; A1911-C1915 PolarHBondContact O-SG 3.47Å; A1911-I1943 HydrophobicContact CB-CG2 4.11Å |
| 1912 | L | 88.2 | Confident | 83.9 | Confident | 7 Ų | 7 | 38.1 Ų | 38.1 | 4% | 0.037 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.8 | -46.1 | 176.7 | 178 | 60.8 | 0 | 0 | 0 | 112 | N1909 L1914 C1915 K1916 L1940 I1943 V1945 E1951 | N1909-L1912 HydrophobicContact CB-CB 3.74Å; N1909-L1912 HydrophobicContact CB-CD2 4.46Å; N1909-L1912 VanDerWaalsContact CG-CB 3.48Å; N1909-L1912 PolarHBondContact O-N 2.78Å; N1909-L1912 VanDerWaalsContact O-N 3.1Å; N1909-L1912 PolarHBondContact OD1-N 3.04Å; L1912-L1914 VanDerWaalsContact C-N 3.34Å; L1912-L1914 PolarHBondContact O-N 2.79Å; L1912-C1915 PolarHBondContact O-N 3.35Å; L1912-K1916 HydrophobicContact CD1-CD 4.04Å; L1912-K1916 HydrophobicContact CD1-CG 4.12Å; L1912-K1916 HydrophobicContact CG-CD 4.15Å; L1912-K1916 VanDerWaalsContact O-CG 3.31Å; L1912-K1916 WeakPolarHBondContact O-CG 3.4Å; L1912-K1916 PolarHBondContact O-N 3.41Å; L1912-L1940 HydrophobicContact CD1-CD2 3.71Å; L1912-I1943 HydrophobicContact CB-CD1 3.84Å; L1912-I1943 HydrophobicContact CD1-CD1 3.7Å; L1912-I1943 HydrophobicContact CG-CD1 4.36Å; L1912-V1945 HydrophobicContact CD1-CG1 4.3Å; L1912-V1945 HydrophobicContact CD1-CG2 4.28Å; L1912-E1951 HydrophobicContact CD2-CB 4.37Å |
| 1913 | E | 87.6 | Confident | 84.6 | Confident | 22 Ų | 22 | 39.3 Ų | 39.3 | 10% | 0.103 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.3 | -36.2 | -179.2 | -63.2 | -50.6 | 143.9 | 0 | 0 | 112.4 | F1897 M1907 N1909 K1916 S1917 | F1897-E1913 HydrophobicContact CE1-CB 4.07Å; F1897-E1913 HydrophobicContact CE1-CG 4.02Å; F1897-E1913 HydrophobicContact CZ-CB 4.02Å; F1897-E1913 HydrophobicContact CZ-CG 3.7Å; M1907-E1913 HydrophobicContact CB-CG 4.03Å; M1907-E1913 HydrophobicContact CG-CG 3.91Å; M1907-E1913 HydrophobicContact SD-CG 4.26Å; N1909-E1913 PolarHBondContact O-N 2.92Å; E1913-K1916 WeakPolarHBondContact OE1-CE 3.36Å; E1913-K1916 IonicContact OE1-NZ 2.97Å; E1913-K1916 PolarHBondContact OE1-NZ 3.42Å; E1913-K1916 WeakPolarHBondContact OE2-CE 3.14Å; E1913-K1916 IonicContact OE2-NZ 2.92Å; E1913-K1916 PolarHBondContact OE2-NZ 3.48Å; E1913-S1917 VanDerWaalsContact O-CB 3.29Å; E1913-S1917 WeakPolarHBondContact O-CB 3.42Å; E1913-S1917 PolarHBondContact O-N 3.17Å; E1913-S1917 PolarHBondContact O-OG 3.32Å |
| 1914 | L | 88.6 | Confident | 85 | Confident | 52 Ų | 52 | 37.8 Ų | 37.8 | 27% | 0.272 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.7 | -49.2 | 172.4 | -175.2 | 70.7 | 0 | 0 | 0 | 111.2 | I1876 I1880 P1910 A1911 L1912 K1916 S1917 L1918 | I1876-L1914 HydrophobicContact CG2-CD2 3.74Å; I1880-L1914 HydrophobicContact CD1-CD2 3.44Å; I1880-L1914 VanDerWaalsContact CD1-CD2 3.44Å; P1910-L1914 WeakPolarHBondContact O-CB 3.46Å; P1910-L1914 PolarHBondContact O-N 2.96Å; P1910-L1914 VanDerWaalsContact O-N 3.07Å; A1911-L1914 PolarHBondContact O-N 3.11Å; L1912-L1914 VanDerWaalsContact C-N 3.34Å; L1912-L1914 PolarHBondContact O-N 2.79Å; L1914-K1916 PolarHBondContact O-N 2.99Å; L1914-S1917 PolarHBondContact O-N 3.31Å; L1914-L1918 HydrophobicContact CD1-CD1 3.67Å; L1914-L1918 HydrophobicContact CD1-CG 4.02Å; L1914-L1918 HydrophobicContact CD2-CD1 4.32Å; L1914-L1918 HydrophobicContact CG-CD1 3.71Å; L1914-L1918 HydrophobicContact CG-CG 4.32Å; L1914-L1918 WeakPolarHBondContact O-CB 3.45Å; L1914-L1918 WeakPolarHBondContact O-CG 3.32Å; L1914-L1918 PolarHBondContact O-N 3.18Å |
| 1915 | C | 88.1 | Confident | 85.7 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 3% | 0.027 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.2 | -49.6 | 178.7 | -69.5 | 0 | 0 | 0 | 0 | 111.4 | V1877 A1911 L1912 S1917 C1919 L1939 | V1877-C1915 WeakPolarHBondContact CG2-SG 3.27Å; A1911-C1915 PolarHBondContact O-N 2.88Å; A1911-C1915 PolarHBondContact O-SG 3.47Å; L1912-C1915 PolarHBondContact O-N 3.35Å; C1915-S1917 PolarHBondContact O-N 3.14Å; C1915-C1919 VanDerWaalsContact O-CB 3.28Å; C1915-C1919 WeakPolarHBondContact O-CB 3.43Å; C1915-C1919 PolarHBondContact O-N 3.36Å; C1915-C1919 PolarHBondContact O-SG 2.93Å; C1915-L1939 HydrophobicContact CB-CB 4.46Å; C1915-L1939 HydrophobicContact CB-CD1 4.5Å |
| 1916 | K | 89.6 | Confident | 86 | Confident | 15 Ų | 15 | 39 Ų | 39 | 7% | 0.065 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.9 | -46.7 | 179.6 | -69.9 | -177.5 | -56.4 | -171.1 | 0 | 111.5 | L1912 E1913 L1914 H1920 E1951 W1954 | L1912-K1916 HydrophobicContact CD1-CD 4.04Å; L1912-K1916 HydrophobicContact CD1-CG 4.12Å; L1912-K1916 HydrophobicContact CG-CD 4.15Å; L1912-K1916 VanDerWaalsContact O-CG 3.31Å; L1912-K1916 WeakPolarHBondContact O-CG 3.4Å; L1912-K1916 PolarHBondContact O-N 3.41Å; E1913-K1916 WeakPolarHBondContact OE1-CE 3.36Å; E1913-K1916 IonicContact OE1-NZ 2.97Å; E1913-K1916 PolarHBondContact OE1-NZ 3.42Å; E1913-K1916 WeakPolarHBondContact OE2-CE 3.14Å; E1913-K1916 IonicContact OE2-NZ 2.92Å; E1913-K1916 PolarHBondContact OE2-NZ 3.48Å; L1914-K1916 PolarHBondContact O-N 2.99Å; K1916-H1920 VanDerWaalsContact O-CB 3.22Å; K1916-H1920 WeakPolarHBondContact O-CB 3.39Å; K1916-H1920 PolarHBondContact O-N 3.17Å; K1916-E1951 VanDerWaalsContact CD-O 3.22Å; K1916-E1951 WeakPolarHBondContact CD-O 3.48Å; K1916-E1951 PolarHBondContact NZ-O 2.78Å; K1916-W1954 VanDerWaalsContact C-CD1 3.47Å; K1916-W1954 HydrophobicContact CB-CB 4.12Å; K1916-W1954 HydrophobicContact CB-CG 4.4Å |
| 1917 | S | 88.4 | Confident | 86.4 | Confident | 42 Ų | 42 | 31.3 Ų | 31.3 | 29% | 0.294 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -68.7 | -45.9 | -174.8 | -57.8 | 0 | 0 | 0 | 0 | 112.1 | E1913 L1914 C1915 H1920 V1921 | E1913-S1917 VanDerWaalsContact O-CB 3.29Å; E1913-S1917 WeakPolarHBondContact O-CB 3.42Å; E1913-S1917 PolarHBondContact O-N 3.17Å; E1913-S1917 PolarHBondContact O-OG 3.32Å; L1914-S1917 PolarHBondContact O-N 3.31Å; C1915-S1917 PolarHBondContact O-N 3.14Å; S1917-H1920 PolarHBondContact O-N 3.01Å; S1917-V1921 WeakPolarHBondContact O-CG2 3.26Å; S1917-V1921 PolarHBondContact O-N 3.49Å |
| 1918 | L | 87.8 | Confident | 87 | Confident | 20 Ų | 20 | 30.2 Ų | 30.2 | 11% | 0.105 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.6 | -43.3 | 179.1 | -68.9 | 176.4 | 0 | 0 | 0 | 112.2 | I1816 I1817 L1873 L1914 H1920 V1921 L1922 | I1816-L1918 HydrophobicContact CD1-CD1 3.79Å; I1817-L1918 HydrophobicContact CD1-CD2 3.88Å; I1817-L1918 HydrophobicContact CG1-CD2 3.83Å; L1873-L1918 HydrophobicContact CD2-CD1 3.44Å; L1873-L1918 VanDerWaalsContact CD2-CD1 3.44Å; L1914-L1918 HydrophobicContact CD1-CD1 3.67Å; L1914-L1918 HydrophobicContact CD1-CG 4.02Å; L1914-L1918 HydrophobicContact CD2-CD1 4.32Å; L1914-L1918 HydrophobicContact CG-CD1 3.71Å; L1914-L1918 HydrophobicContact CG-CG 4.32Å; L1914-L1918 WeakPolarHBondContact O-CB 3.45Å; L1914-L1918 WeakPolarHBondContact O-CG 3.32Å; L1914-L1918 PolarHBondContact O-N 3.18Å; L1918-H1920 VanDerWaalsContact C-N 3.28Å; L1918-H1920 PolarHBondContact O-N 3.48Å; L1918-V1921 PolarHBondContact O-N 2.99Å; L1918-L1922 WeakPolarHBondContact O-CB 3.2Å; L1918-L1922 WeakPolarHBondContact O-CG 3.44Å; L1918-L1922 PolarHBondContact O-N 3.07Å |
| 1919 | C | 89.2 | Confident | 87.4 | Confident | 7 Ų | 7 | 28.3 Ų | 28.3 | 5% | 0.047 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.8 | -37.1 | 175.9 | -64.3 | 0 | 0 | 0 | 0 | 111.2 | C1915 S1923 V1932 K1936 | C1915-C1919 VanDerWaalsContact O-CB 3.28Å; C1915-C1919 WeakPolarHBondContact O-CB 3.43Å; C1915-C1919 PolarHBondContact O-N 3.36Å; C1915-C1919 PolarHBondContact O-SG 2.93Å; C1919-S1923 VanDerWaalsContact O-CB 3.28Å; C1919-S1923 WeakPolarHBondContact O-CB 3.46Å; C1919-S1923 PolarHBondContact O-N 2.98Å; C1919-S1923 PolarHBondContact O-OG 2.73Å; C1919-V1932 HydrophobicContact CB-CG1 4.15Å; C1919-V1932 WeakPolarHBondContact O-CG1 3.46Å; C1919-K1936 HydrophobicContact CB-CB 4.3Å; C1919-K1936 HydrophobicContact CB-CG 4.46Å |
| 1920 | H | 88.9 | Confident | 87.5 | Confident | 45 Ų | 45 | 31.3 Ų | 31.3 | 21% | 0.208 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.1 | -48.7 | 175 | -177.6 | 66.1 | 0 | 0 | 0 | 111.5 | K1916 S1917 L1918 S1923 M1924 W1954 | K1916-H1920 VanDerWaalsContact O-CB 3.22Å; K1916-H1920 WeakPolarHBondContact O-CB 3.39Å; K1916-H1920 PolarHBondContact O-N 3.17Å; S1917-H1920 PolarHBondContact O-N 3.01Å; L1918-H1920 VanDerWaalsContact C-N 3.28Å; L1918-H1920 PolarHBondContact O-N 3.48Å; H1920-S1923 PolarHBondContact O-N 3.11Å; H1920-S1923 PolarHBondContact O-OG 2.85Å; H1920-M1924 VanDerWaalsContact CE1-CE 3.42Å; H1920-M1924 WeakPolarHBondContact CE1-CE 3.47Å; H1920-M1924 WeakPolarHBondContact O-CE 3.4Å; H1920-W1954 HydrophobicContact CB-CB 4.09Å; H1920-W1954 HydrophobicContact CB-CD2 3.84Å; H1920-W1954 HydrophobicContact CB-CE3 4.45Å; H1920-W1954 HydrophobicContact CB-CG 3.66Å; H1920-W1954 AromaticContact CD2-CD2 3.58Å; H1920-W1954 AromaticContact CD2-CE2 3.55Å; H1920-W1954 AromaticContact CD2-CE3 3.6Å; H1920-W1954 AromaticContact CD2-CH2 3.55Å; H1920-W1954 AromaticContact CD2-CZ2 3.55Å; H1920-W1954 AromaticContact CD2-CZ3 3.59Å; H1920-W1954 AromaticContact CE1-CE3 3.51Å; H1920-W1954 AromaticContact CE1-CZ3 3.53Å; H1920-W1954 AromaticContact CG-CD2 3.46Å; H1920-W1954 VanDerWaalsContact CG-CD2 3.46Å; H1920-W1954 AromaticContact CG-CE2 3.84Å; H1920-W1954 AromaticContact CG-CE3 3.62Å; H1920-W1954 AromaticContact CG-CG 3.82Å; H1920-W1954 AromaticContact ND1-CD2 3.86Å; H1920-W1954 AromaticContact ND1-CE3 3.58Å; H1920-W1954 AromaticContact NE2-CE3 3.54Å; H1920-W1954 AromaticContact NE2-CH2 3.42Å; H1920-W1954 WeakPolarHBondContact NE2-CH2 3.49Å; H1920-W1954 AromaticContact NE2-CZ2 3.95Å; H1920-W1954 AromaticContact NE2-CZ3 3.21Å; H1920-W1954 WeakPolarHBondContact NE2-CZ3 3.23Å |
| 1921 | V | 88.3 | Confident | 87.6 | Confident | 33 Ų | 33 | 32 Ų | 32 | 20% | 0.2 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.3 | -42.9 | 179.3 | 175 | 0 | 0 | 0 | 0 | 111.7 | L1787 I1817 S1917 L1918 S1923 M1924 | L1787-V1921 HydrophobicContact CD2-CG1 3.62Å; L1787-V1921 HydrophobicContact CG-CG1 4.49Å; I1817-V1921 HydrophobicContact CD1-CB 4.09Å; I1817-V1921 HydrophobicContact CD1-CG1 3.66Å; I1817-V1921 HydrophobicContact CG1-CG1 4.03Å; I1817-V1921 HydrophobicContact CG2-CG1 4.02Å; S1917-V1921 WeakPolarHBondContact O-CG2 3.26Å; S1917-V1921 PolarHBondContact O-N 3.49Å; L1918-V1921 PolarHBondContact O-N 2.99Å; V1921-S1923 VanDerWaalsContact C-N 3.32Å; V1921-S1923 PolarHBondContact O-N 2.93Å; V1921-M1924 WeakPolarHBondContact O-CB 3.38Å; V1921-M1924 WeakPolarHBondContact O-CG 3.45Å; V1921-M1924 PolarHBondContact O-N 2.87Å |
| 1922 | L | 87.9 | Confident | 87.8 | Confident | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.4 | -33.3 | 176.7 | -70.2 | 171.4 | 0 | 0 | 0 | 112.5 | I1817 Y1820 L1869 L1918 M1924 D1925 V1932 L1935 | I1817-L1922 HydrophobicContact CD1-CD2 4.08Å; I1817-L1922 HydrophobicContact CD1-CG 4.11Å; Y1820-L1922 HydrophobicContact CD1-CD2 4.12Å; Y1820-L1922 HydrophobicContact CD2-CD2 4.28Å; Y1820-L1922 HydrophobicContact CG-CD2 3.98Å; L1869-L1922 HydrophobicContact CD1-CD1 4.46Å; L1869-L1922 HydrophobicContact CD1-CD2 4.35Å; L1918-L1922 WeakPolarHBondContact O-CB 3.2Å; L1918-L1922 WeakPolarHBondContact O-CG 3.44Å; L1918-L1922 PolarHBondContact O-N 3.07Å; L1922-M1924 PolarHBondContact O-N 3.4Å; L1922-M1924 VanDerWaalsContact O-N 3.08Å; L1922-D1925 PolarHBondContact O-N 3.45Å; L1922-V1932 HydrophobicContact CB-CG1 4.29Å; L1922-V1932 HydrophobicContact CB-CG2 3.86Å; L1922-L1935 HydrophobicContact CD1-CD2 4.29Å |
| 1923 | S | 88.8 | Confident | 87.8 | Confident | 30 Ų | 30 | 37.1 Ų | 37.1 | 21% | 0.21 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -5.5 | 176.4 | 77.7 | 0 | 0 | 0 | 0 | 114.6 | C1919 H1920 V1921 K1926 | C1919-S1923 VanDerWaalsContact O-CB 3.28Å; C1919-S1923 WeakPolarHBondContact O-CB 3.46Å; C1919-S1923 PolarHBondContact O-N 2.98Å; C1919-S1923 PolarHBondContact O-OG 2.73Å; H1920-S1923 PolarHBondContact O-N 3.11Å; H1920-S1923 PolarHBondContact O-OG 2.85Å; V1921-S1923 VanDerWaalsContact C-N 3.32Å; V1921-S1923 PolarHBondContact O-N 2.93Å; S1923-K1926 PolarHBondContact O-NZ 2.98Å |
| 1924 | M | 87.6 | Confident | 87.8 | Confident | 15 Ų | 15 | 38.4 Ų | 38.4 | 7% | 0.074 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -26 | 169.2 | -60.7 | -59.8 | 122.2 | 0 | 0 | 111.4 | P1595 F1597 L1787 V1789 H1920 V1921 L1922 K1926 | P1595-M1924 HydrophobicContact CB-SD 3.62Å; F1597-M1924 PolarHBondContact N-O 2.9Å; F1597-M1924 VanDerWaalsContact N-O 3.14Å; L1787-M1924 HydrophobicContact CD1-CB 3.9Å; V1789-M1924 HydrophobicContact CG2-CG 4.34Å; H1920-M1924 VanDerWaalsContact CE1-CE 3.42Å; H1920-M1924 WeakPolarHBondContact CE1-CE 3.47Å; H1920-M1924 WeakPolarHBondContact O-CE 3.4Å; V1921-M1924 WeakPolarHBondContact O-CB 3.38Å; V1921-M1924 WeakPolarHBondContact O-CG 3.45Å; V1921-M1924 PolarHBondContact O-N 2.87Å; L1922-M1924 PolarHBondContact O-N 3.4Å; L1922-M1924 VanDerWaalsContact O-N 3.08Å; M1924-K1926 PolarHBondContact O-N 2.85Å |
| 1925 | D | 88.6 | Confident | 87.9 | Confident | 7 Ų | 7 | 36 Ų | 36 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -85.6 | 101.3 | 166.9 | -172.4 | -10.7 | 0 | 0 | 0 | 109.8 | F1597 K1599 Y1820 L1922 S1927 I1928 | F1597-D1925 HydrophobicContact CB-CB 3.88Å; F1597-D1925 HydrophobicContact CD1-CB 3.88Å; F1597-D1925 WeakPolarHBondContact CD1-OD2 3.44Å; F1597-D1925 HydrophobicContact CG-CB 4.37Å; K1599-D1925 WeakPolarHBondContact CE-OD2 3.31Å; K1599-D1925 IonicContact NZ-OD1 4Å; K1599-D1925 PolarHBondContact NZ-OD1 3.04Å; K1599-D1925 IonicContact NZ-OD2 2.73Å; K1599-D1925 PolarHBondContact NZ-OD2 3.35Å; Y1820-D1925 HydrophobicContact CE1-CB 4.45Å; Y1820-D1925 PolarHBondContact OH-OD2 3.19Å; L1922-D1925 PolarHBondContact O-N 3.45Å; D1925-S1927 PolarHBondContact O-N 2.67Å; D1925-S1927 WeakPolarHBondContact OD1-CB 3.47Å; D1925-S1927 PolarHBondContact OD1-N 3.46Å; D1925-S1927 PolarHBondContact OD1-OG 3.4Å; D1925-S1927 PolarHBondContact OD2-OG 3.14Å; D1925-I1928 HydrophobicContact CB-CD1 4.13Å; D1925-I1928 HydrophobicContact CB-CG1 3.86Å; D1925-I1928 VanDerWaalsContact O-CG1 3.25Å; D1925-I1928 WeakPolarHBondContact O-CG1 3.39Å; D1925-I1928 PolarHBondContact O-N 3.4Å |
| 1926 | K | 83.8 | Confident | 88 | Confident | 144 Ų | 144 | 38.8 Ų | 38.8 | 63% | 0.626 | 20% | 0.199 | S | C | * | . | G | 310 helix | trans | -65.1 | -21 | -178 | -61 | -56.7 | 177.8 | -158 | 0 | 113.6 | S1923 M1924 I1928 S1929 | S1923-K1926 PolarHBondContact O-NZ 2.98Å; M1924-K1926 PolarHBondContact O-N 2.85Å; K1926-I1928 PolarHBondContact O-N 3.47Å; K1926-S1929 WeakPolarHBondContact CA-OG 3.28Å; K1926-S1929 PolarHBondContact O-N 2.89Å; K1926-S1929 PolarHBondContact O-OG 3.06Å |
| 1927 | S | 82.6 | Confident | 87.9 | Confident | 31 Ų | 31 | 43.6 Ų | 43.6 | 22% | 0.217 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -66.7 | -24.9 | -179.2 | 69.2 | 0 | 0 | 0 | 0 | 113 | K1599 D1925 | K1599-S1927 PolarHBondContact NZ-OG 3.31Å; K1599-S1927 VanDerWaalsContact NZ-OG 3.09Å; D1925-S1927 PolarHBondContact O-N 2.67Å; D1925-S1927 WeakPolarHBondContact OD1-CB 3.47Å; D1925-S1927 PolarHBondContact OD1-N 3.46Å; D1925-S1927 PolarHBondContact OD1-OG 3.4Å; D1925-S1927 PolarHBondContact OD2-OG 3.14Å |
| 1928 | I | 88.5 | Confident | 87.9 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -109.7 | 13.8 | -178.9 | 58 | 164.9 | 0 | 0 | 0 | 113.9 | Y1820 C1861 V1865 D1925 K1926 Q1930 E1931 V1932 | Y1820-I1928 HydrophobicContact CE1-CD1 4.49Å; Y1820-I1928 HydrophobicContact CE2-CD1 4.09Å; Y1820-I1928 WeakPolarHBondContact OH-CD1 3.35Å; C1861-I1928 VanDerWaalsContact C-CG2 3.49Å; C1861-I1928 HydrophobicContact CB-CG2 3.39Å; V1865-I1928 HydrophobicContact CG2-CB 4.35Å; V1865-I1928 HydrophobicContact CG2-CD1 3.6Å; V1865-I1928 HydrophobicContact CG2-CG2 4.37Å; D1925-I1928 HydrophobicContact CB-CD1 4.13Å; D1925-I1928 HydrophobicContact CB-CG1 3.86Å; D1925-I1928 VanDerWaalsContact O-CG1 3.25Å; D1925-I1928 WeakPolarHBondContact O-CG1 3.39Å; D1925-I1928 PolarHBondContact O-N 3.4Å; K1926-I1928 PolarHBondContact O-N 3.47Å; I1928-Q1930 VanDerWaalsContact C-N 3.29Å; I1928-Q1930 PolarHBondContact O-N 3.23Å; I1928-Q1930 VanDerWaalsContact O-N 3.16Å; I1928-E1931 PolarHBondContact O-N 3.11Å; I1928-V1932 HydrophobicContact CB-CG2 4.4Å; I1928-V1932 HydrophobicContact CD1-CG2 3.67Å; I1928-V1932 HydrophobicContact CG1-CG2 3.89Å; I1928-V1932 WeakPolarHBondContact O-CG2 3.46Å; I1928-V1932 PolarHBondContact O-N 2.94Å |
| 1929 | S | 85.7 | Confident | 88.1 | Confident | 38 Ų | 38 | 44 Ų | 44 | 27% | 0.266 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -51.5 | -44.8 | -172.9 | -54.4 | 0 | 0 | 0 | 0 | 113.4 | K1926 E1931 V1932 E1933 | K1926-S1929 WeakPolarHBondContact CA-OG 3.28Å; K1926-S1929 PolarHBondContact O-N 2.89Å; K1926-S1929 PolarHBondContact O-OG 3.06Å; S1929-E1931 PolarHBondContact O-N 2.96Å; S1929-V1932 PolarHBondContact O-N 3.38Å; S1929-E1933 WeakPolarHBondContact O-CG 3.42Å; S1929-E1933 PolarHBondContact O-N 3.14Å |
| 1930 | Q | 85.7 | Confident | 88.2 | Confident | 112 Ų | 112 | 43.8 Ų | 43.8 | 52% | 0.523 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.3 | -39.8 | -179.2 | -170.6 | 61.7 | 63.3 | 0 | 0 | 112.5 | I1928 E1933 N1934 | I1928-Q1930 VanDerWaalsContact C-N 3.29Å; I1928-Q1930 PolarHBondContact O-N 3.23Å; I1928-Q1930 VanDerWaalsContact O-N 3.16Å; Q1930-E1933 PolarHBondContact O-N 2.94Å; Q1930-N1934 VanDerWaalsContact O-CG 3.22Å; Q1930-N1934 PolarHBondContact O-N 2.92Å; Q1930-N1934 PolarHBondContact O-ND2 3.47Å |
| 1931 | E | 89.1 | Confident | 88.1 | Confident | 43 Ų | 43 | 49.5 Ų | 49.5 | 20% | 0.201 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70.2 | -37.2 | 178.2 | -63.6 | -57.1 | 157.9 | 0 | 0 | 111.3 | C1862 V1865 I1928 S1929 N1934 L1935 | C1862-E1931 HydrophobicContact CB-CG 4.05Å; V1865-E1931 HydrophobicContact CB-CB 4.23Å; V1865-E1931 HydrophobicContact CG1-CB 3.93Å; I1928-E1931 PolarHBondContact O-N 3.11Å; S1929-E1931 PolarHBondContact O-N 2.96Å; E1931-N1934 PolarHBondContact O-N 3.41Å; E1931-L1935 VanDerWaalsContact O-CB 3.26Å; E1931-L1935 WeakPolarHBondContact O-CB 3.3Å; E1931-L1935 PolarHBondContact O-N 3.48Å |
| 1932 | V | 90.3 | Very high | 88 | Confident | 6 Ų | 6 | 50 Ų | 50 | 4% | 0.036 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.8 | -37.6 | 174 | 177.9 | 0 | 0 | 0 | 0 | 111.3 | C1919 L1922 I1928 S1929 L1935 K1936 | C1919-V1932 HydrophobicContact CB-CG1 4.15Å; C1919-V1932 WeakPolarHBondContact O-CG1 3.46Å; L1922-V1932 HydrophobicContact CB-CG1 4.29Å; L1922-V1932 HydrophobicContact CB-CG2 3.86Å; I1928-V1932 HydrophobicContact CB-CG2 4.4Å; I1928-V1932 HydrophobicContact CD1-CG2 3.67Å; I1928-V1932 HydrophobicContact CG1-CG2 3.89Å; I1928-V1932 WeakPolarHBondContact O-CG2 3.46Å; I1928-V1932 PolarHBondContact O-N 2.94Å; S1929-V1932 PolarHBondContact O-N 3.38Å; V1932-L1935 PolarHBondContact O-N 3.24Å; V1932-K1936 VanDerWaalsContact O-CB 3.3Å; V1932-K1936 WeakPolarHBondContact O-CB 3.42Å; V1932-K1936 PolarHBondContact O-N 3.38Å |
| 1933 | E | 88 | Confident | 87.9 | Confident | 109 Ų | 109 | 50.5 Ų | 50.5 | 51% | 0.509 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.7 | -43.6 | 173.1 | -77.1 | -178.6 | -179.4 | 0 | 0 | 112.1 | S1929 Q1930 K1936 R1937 | S1929-E1933 WeakPolarHBondContact O-CG 3.42Å; S1929-E1933 PolarHBondContact O-N 3.14Å; Q1930-E1933 PolarHBondContact O-N 2.94Å; E1933-K1936 PolarHBondContact O-N 2.97Å; E1933-R1937 WeakPolarHBondContact O-CB 3.45Å; E1933-R1937 PolarHBondContact O-N 3.48Å |
| 1934 | N | 88.7 | Confident | 87.7 | Confident | 49 Ų | 49 | 52.3 Ų | 52.3 | 26% | 0.262 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.3 | -46 | 174.7 | -70.8 | -20.2 | 0 | 0 | 0 | 111.1 | Q1930 E1931 R1937 N1938 | Q1930-N1934 VanDerWaalsContact O-CG 3.22Å; Q1930-N1934 PolarHBondContact O-N 2.92Å; Q1930-N1934 PolarHBondContact O-ND2 3.47Å; E1931-N1934 PolarHBondContact O-N 3.41Å; N1934-R1937 PolarHBondContact O-N 3.47Å; N1934-N1938 VanDerWaalsContact O-CB 3.23Å; N1934-N1938 WeakPolarHBondContact O-CB 3.37Å; N1934-N1938 PolarHBondContact O-N 2.88Å; N1934-N1938 PolarHBondContact O-ND2 3.31Å |
| 1935 | L | 89.7 | Confident | 87.7 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.6 | -47.4 | 174.1 | 172.4 | 64.3 | 0 | 0 | 0 | 111.1 | V1865 V1870 L1873 L1922 E1931 V1932 R1937 N1938 L1939 | V1865-L1935 HydrophobicContact CG1-CD2 4.23Å; V1870-L1935 HydrophobicContact CB-CD1 4.23Å; V1870-L1935 HydrophobicContact CG2-CB 4.35Å; V1870-L1935 HydrophobicContact CG2-CD1 3.69Å; V1870-L1935 HydrophobicContact CG2-CG 4.49Å; L1873-L1935 HydrophobicContact CB-CD1 4.5Å; L1873-L1935 HydrophobicContact CD1-CD1 4Å; L1873-L1935 HydrophobicContact CD1-CD2 3.6Å; L1873-L1935 HydrophobicContact CD1-CG 4.29Å; L1922-L1935 HydrophobicContact CD1-CD2 4.29Å; E1931-L1935 VanDerWaalsContact O-CB 3.26Å; E1931-L1935 WeakPolarHBondContact O-CB 3.3Å; E1931-L1935 PolarHBondContact O-N 3.48Å; V1932-L1935 PolarHBondContact O-N 3.24Å; L1935-R1937 PolarHBondContact O-N 3.4Å; L1935-N1938 WeakPolarHBondContact O-CB 3.37Å; L1935-N1938 PolarHBondContact O-N 2.87Å; L1935-L1939 HydrophobicContact CD1-CD1 3.72Å; L1935-L1939 HydrophobicContact CD1-CD2 4.33Å; L1935-L1939 HydrophobicContact CD1-CG 3.8Å; L1935-L1939 HydrophobicContact CG-CD1 3.91Å; L1935-L1939 HydrophobicContact CG-CG 4.31Å; L1935-L1939 WeakPolarHBondContact O-CB 3.36Å; L1935-L1939 VanDerWaalsContact O-CG 3.28Å; L1935-L1939 WeakPolarHBondContact O-CG 3.38Å; L1935-L1939 PolarHBondContact O-N 3.48Å |
| 1936 | K | 91.1 | Very high | 87.4 | Confident | 63 Ų | 63 | 54.5 Ų | 54.5 | 27% | 0.274 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.1 | -49.6 | 177.8 | -176.1 | -177.8 | 177.1 | -175.1 | 0 | 110.9 | C1919 V1932 E1933 N1938 L1939 L1940 A1952 | C1919-K1936 HydrophobicContact CB-CB 4.3Å; C1919-K1936 HydrophobicContact CB-CG 4.46Å; V1932-K1936 VanDerWaalsContact O-CB 3.3Å; V1932-K1936 WeakPolarHBondContact O-CB 3.42Å; V1932-K1936 PolarHBondContact O-N 3.38Å; E1933-K1936 PolarHBondContact O-N 2.97Å; K1936-N1938 VanDerWaalsContact C-N 3.29Å; K1936-N1938 PolarHBondContact O-N 3.26Å; K1936-L1939 PolarHBondContact O-N 3.49Å; K1936-L1940 HydrophobicContact CD-CD1 4.42Å; K1936-L1940 HydrophobicContact CG-CD1 3.82Å; K1936-L1940 HydrophobicContact CG-CG 4.25Å; K1936-L1940 WeakPolarHBondContact O-CB 3.13Å; K1936-L1940 WeakPolarHBondContact O-CG 3.33Å; K1936-L1940 PolarHBondContact O-N 3.47Å; K1936-A1952 VanDerWaalsContact CE-O 3.26Å; K1936-A1952 WeakPolarHBondContact CE-O 3.38Å; K1936-A1952 PolarHBondContact NZ-O 2.86Å |
| 1937 | R | 86.9 | Confident | 87.2 | Confident | 115 Ų | 115 | 51.2 Ų | 51.2 | 43% | 0.434 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -55.5 | -46.6 | 177 | -179 | -176.1 | -61.6 | 154 | 9.8 | 111.3 | E1933 N1934 L1935 L1940 K1941 E1947 | E1933-R1937 WeakPolarHBondContact O-CB 3.45Å; E1933-R1937 PolarHBondContact O-N 3.48Å; N1934-R1937 PolarHBondContact O-N 3.47Å; L1935-R1937 PolarHBondContact O-N 3.4Å; R1937-L1940 PolarHBondContact O-N 2.99Å; R1937-K1941 WeakPolarHBondContact O-CB 3.32Å; R1937-K1941 PolarHBondContact O-N 3.25Å; R1937-E1947 WeakPolarHBondContact CD-OE2 3.47Å; R1937-E1947 WeakPolarHBondContact CG-OE2 3.39Å; R1937-E1947 IonicContact CZ-OE2 3.88Å; R1937-E1947 IonicContact NE-OE2 3.55Å; R1937-E1947 PolarHBondContact NE-OE2 2.59Å; R1937-E1947 IonicContact NH2-OE2 2.68Å |
| 1938 | N | 89.2 | Confident | 87.3 | Confident | 69 Ų | 69 | 58.4 Ų | 58.4 | 37% | 0.369 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.5 | -45 | -179 | -81.9 | -14.9 | 0 | 0 | 0 | 113.1 | F1874 N1934 L1935 K1936 K1941 L1942 | F1874-N1938 HydrophobicContact CE1-CB 4.34Å; F1874-N1938 HydrophobicContact CE2-CB 4.33Å; F1874-N1938 HydrophobicContact CZ-CB 3.62Å; N1934-N1938 VanDerWaalsContact O-CB 3.23Å; N1934-N1938 WeakPolarHBondContact O-CB 3.37Å; N1934-N1938 PolarHBondContact O-N 2.88Å; N1934-N1938 PolarHBondContact O-ND2 3.31Å; L1935-N1938 WeakPolarHBondContact O-CB 3.37Å; L1935-N1938 PolarHBondContact O-N 2.87Å; K1936-N1938 VanDerWaalsContact C-N 3.29Å; K1936-N1938 PolarHBondContact O-N 3.26Å; N1938-K1941 PolarHBondContact O-N 3.17Å; N1938-L1942 PolarHBondContact O-N 3.15Å |
| 1939 | L | 91.9 | Very high | 87 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.3 | -39.9 | 176.6 | -69.5 | 179.5 | 0 | 0 | 0 | 112.1 | L1873 F1874 V1877 C1915 L1935 K1936 L1942 I1943 | L1873-L1939 HydrophobicContact CB-CD1 4.26Å; L1873-L1939 HydrophobicContact CB-CD2 4.15Å; L1873-L1939 HydrophobicContact CD1-CD1 4.39Å; F1874-L1939 HydrophobicContact CD1-CD2 4Å; F1874-L1939 HydrophobicContact CE1-CD2 4.35Å; F1874-L1939 HydrophobicContact CG-CD2 4.25Å; V1877-L1939 HydrophobicContact CG2-CD2 4.15Å; C1915-L1939 HydrophobicContact CB-CB 4.46Å; C1915-L1939 HydrophobicContact CB-CD1 4.5Å; L1935-L1939 HydrophobicContact CD1-CD1 3.72Å; L1935-L1939 HydrophobicContact CD1-CD2 4.33Å; L1935-L1939 HydrophobicContact CD1-CG 3.8Å; L1935-L1939 HydrophobicContact CG-CD1 3.91Å; L1935-L1939 HydrophobicContact CG-CG 4.31Å; L1935-L1939 WeakPolarHBondContact O-CB 3.36Å; L1935-L1939 VanDerWaalsContact O-CG 3.28Å; L1935-L1939 WeakPolarHBondContact O-CG 3.38Å; L1935-L1939 PolarHBondContact O-N 3.48Å; K1936-L1939 PolarHBondContact O-N 3.49Å; L1939-L1942 WeakPolarHBondContact O-CB 3.18Å; L1939-L1942 PolarHBondContact O-N 2.95Å; L1939-I1943 WeakPolarHBondContact O-CG1 3.41Å; L1939-I1943 PolarHBondContact O-N 3.14Å |
| 1940 | L | 90.7 | Very high | 86.6 | Confident | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.016 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 176.1 | -71.4 | 176.6 | 0 | 0 | 0 | 111.6 | L1912 K1936 R1937 L1942 I1943 G1944 V1945 E1947 A1952 | L1912-L1940 HydrophobicContact CD1-CD2 3.71Å; K1936-L1940 HydrophobicContact CD-CD1 4.42Å; K1936-L1940 HydrophobicContact CG-CD1 3.82Å; K1936-L1940 HydrophobicContact CG-CG 4.25Å; K1936-L1940 WeakPolarHBondContact O-CB 3.13Å; K1936-L1940 WeakPolarHBondContact O-CG 3.33Å; K1936-L1940 PolarHBondContact O-N 3.47Å; R1937-L1940 PolarHBondContact O-N 2.99Å; L1940-L1942 VanDerWaalsContact C-N 3.31Å; L1940-L1942 PolarHBondContact O-N 3.42Å; L1940-I1943 HydrophobicContact CD2-CD1 4.19Å; L1940-I1943 CarbonylContact O-C 3.38Å; L1940-I1943 VanDerWaalsContact O-CG1 3.28Å; L1940-I1943 WeakPolarHBondContact O-CG1 3.27Å; L1940-I1943 PolarHBondContact O-N 3.42Å; L1940-G1944 PolarHBondContact O-N 3.21Å; L1940-V1945 CarbonylContact C-O 3.54Å; L1940-V1945 WeakPolarHBondContact CB-O 3.31Å; L1940-V1945 HydrophobicContact CD2-CB 4.17Å; L1940-V1945 HydrophobicContact CD2-CG1 4.12Å; L1940-V1945 PolarHBondContact O-N 2.96Å; L1940-E1947 HydrophobicContact CD1-CB 4.42Å; L1940-A1952 HydrophobicContact CD1-CB 3.61Å; L1940-A1952 HydrophobicContact CD2-CB 4.04Å |
| 1941 | K | 86.8 | Confident | 86.4 | Confident | 166 Ų | 166 | 65.7 Ų | 65.7 | 72% | 0.722 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -60.2 | -40.4 | 173.2 | -172.3 | 178.4 | -179.1 | -179.9 | 0 | 111.7 | R1937 N1938 I1943 G1944 | R1937-K1941 WeakPolarHBondContact O-CB 3.32Å; R1937-K1941 PolarHBondContact O-N 3.25Å; N1938-K1941 PolarHBondContact O-N 3.17Å; K1941-I1943 VanDerWaalsContact C-N 3.3Å; K1941-I1943 PolarHBondContact O-N 3.35Å; K1941-G1944 PolarHBondContact O-N 3.45Å |
| 1942 | L | 85.8 | Confident | 86.2 | Confident | 42 Ų | 42 | 63.7 Ų | 63.7 | 22% | 0.22 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.5 | -40.5 | 177.2 | -179 | 71.9 | 0 | 0 | 0 | 112.3 | F1874 V1877 R1878 N1938 L1939 L1940 | F1874-L1942 HydrophobicContact CD1-CB 4.36Å; F1874-L1942 HydrophobicContact CD1-CD1 4.4Å; F1874-L1942 HydrophobicContact CD1-CD2 3.61Å; F1874-L1942 HydrophobicContact CD1-CG 4.32Å; F1874-L1942 HydrophobicContact CE1-CB 4.14Å; F1874-L1942 HydrophobicContact CE1-CD2 4.24Å; V1877-L1942 HydrophobicContact CB-CD2 4.1Å; V1877-L1942 HydrophobicContact CG1-CD2 3.74Å; R1878-L1942 HydrophobicContact CG-CD1 4.01Å; R1878-L1942 HydrophobicContact CG-CD2 3.72Å; R1878-L1942 HydrophobicContact CG-CG 4.32Å; N1938-L1942 PolarHBondContact O-N 3.15Å; L1939-L1942 WeakPolarHBondContact O-CB 3.18Å; L1939-L1942 PolarHBondContact O-N 2.95Å; L1940-L1942 VanDerWaalsContact C-N 3.31Å; L1940-L1942 PolarHBondContact O-N 3.42Å |
| 1943 | I | 87.6 | Confident | 85.8 | Confident | 15 Ų | 15 | 68.5 Ų | 68.5 | 8% | 0.077 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 2.3 | 179.8 | 65.4 | 177.7 | 0 | 0 | 0 | 113.6 | V1877 A1911 L1912 L1939 L1940 K1941 V1945 | V1877-I1943 HydrophobicContact CG1-CG2 3.42Å; V1877-I1943 VanDerWaalsContact CG1-CG2 3.42Å; A1911-I1943 HydrophobicContact CB-CG2 4.11Å; L1912-I1943 HydrophobicContact CB-CD1 3.84Å; L1912-I1943 HydrophobicContact CD1-CD1 3.7Å; L1912-I1943 HydrophobicContact CG-CD1 4.36Å; L1939-I1943 WeakPolarHBondContact O-CG1 3.41Å; L1939-I1943 PolarHBondContact O-N 3.14Å; L1940-I1943 HydrophobicContact CD2-CD1 4.19Å; L1940-I1943 CarbonylContact O-C 3.38Å; L1940-I1943 VanDerWaalsContact O-CG1 3.28Å; L1940-I1943 WeakPolarHBondContact O-CG1 3.27Å; L1940-I1943 PolarHBondContact O-N 3.42Å; K1941-I1943 VanDerWaalsContact C-N 3.3Å; K1941-I1943 PolarHBondContact O-N 3.35Å; I1943-V1945 HydrophobicContact CD1-CB 4.45Å; I1943-V1945 HydrophobicContact CD1-CG2 4.08Å; I1943-V1945 HydrophobicContact CG1-CB 4.21Å; I1943-V1945 HydrophobicContact CG1-CG2 3.95Å |
| 1944 | G | 84.2 | Confident | 85.7 | Confident | 69 Ų | 69 | 66.7 Ų | 66.7 | 71% | 0.711 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 23.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L1940 K1941 | L1940-G1944 PolarHBondContact O-N 3.21Å; K1941-G1944 PolarHBondContact O-N 3.45Å |
| 1945 | V | 87.5 | Confident | 85.4 | Confident | 21 Ų | 21 | 68.2 Ų | 68.2 | 13% | 0.127 | 35% | 0.349 | C | S | . | . | trans | -103.7 | 129.8 | 179.2 | 176.5 | 0 | 0 | 0 | 0 | 109.5 | L1912 L1940 I1943 S1949 A1952 | L1912-V1945 HydrophobicContact CD1-CG1 4.3Å; L1912-V1945 HydrophobicContact CD1-CG2 4.28Å; L1940-V1945 CarbonylContact C-O 3.54Å; L1940-V1945 WeakPolarHBondContact CB-O 3.31Å; L1940-V1945 HydrophobicContact CD2-CB 4.17Å; L1940-V1945 HydrophobicContact CD2-CG1 4.12Å; L1940-V1945 PolarHBondContact O-N 2.96Å; I1943-V1945 HydrophobicContact CD1-CB 4.45Å; I1943-V1945 HydrophobicContact CD1-CG2 4.08Å; I1943-V1945 HydrophobicContact CG1-CB 4.21Å; I1943-V1945 HydrophobicContact CG1-CG2 3.95Å; V1945-S1949 VanDerWaalsContact CG1-OG 3.23Å; V1945-S1949 WeakPolarHBondContact CG1-OG 3.46Å; V1945-A1952 HydrophobicContact CG1-CB 4.09Å | ||
| 1946 | G | 82.8 | Confident | 84.9 | Confident | 47 Ų | 47 | 70.5 Ų | 70.5 | 49% | 0.485 | 36% | 0.361 | S | S | . | . | trans | -64.8 | 137.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1948 S1949 | G1946-F1948 PolarHBondContact O-N 2.62Å; G1946-S1949 VanDerWaalsContact O-CB 3.29Å; G1946-S1949 WeakPolarHBondContact O-CB 3.43Å; G1946-S1949 PolarHBondContact O-N 3.49Å; G1946-S1949 PolarHBondContact O-OG 2.91Å | ||
| 1947 | E | 79 | Confident | 84.2 | Confident | 75 Ų | 75 | 69.6 Ų | 69.6 | 35% | 0.35 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -28.9 | -174.2 | 71.1 | -175.6 | 151 | 0 | 0 | 113.9 | R1937 L1940 | R1937-E1947 WeakPolarHBondContact CD-OE2 3.47Å; R1937-E1947 WeakPolarHBondContact CG-OE2 3.39Å; R1937-E1947 IonicContact CZ-OE2 3.88Å; R1937-E1947 IonicContact NE-OE2 3.55Å; R1937-E1947 PolarHBondContact NE-OE2 2.59Å; R1937-E1947 IonicContact NH2-OE2 2.68Å; L1940-E1947 HydrophobicContact CD1-CB 4.42Å |
| 1948 | F | 83.3 | Confident | 83.7 | Confident | 182 Ų | 182 | 65.3 Ų | 65.3 | 80% | 0.798 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | 12 | 177.4 | -53.5 | -67.6 | 0 | 0 | 0 | 113.4 | G1946 | G1946-F1948 PolarHBondContact O-N 2.62Š|
| 1949 | S | 83.1 | Confident | 83.3 | Confident | 39 Ų | 39 | 62.8 Ų | 62.8 | 27% | 0.273 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -71.7 | 145.3 | 175.3 | 67.1 | 0 | 0 | 0 | 0 | 110.9 | V1945 G1946 E1951 A1952 | V1945-S1949 VanDerWaalsContact CG1-OG 3.23Å; V1945-S1949 WeakPolarHBondContact CG1-OG 3.46Å; G1946-S1949 VanDerWaalsContact O-CB 3.29Å; G1946-S1949 WeakPolarHBondContact O-CB 3.43Å; G1946-S1949 PolarHBondContact O-N 3.49Å; G1946-S1949 PolarHBondContact O-OG 2.91Å; S1949-E1951 PolarHBondContact O-N 3.23Å; S1949-E1951 VanDerWaalsContact O-N 3.07Å; S1949-A1952 WeakPolarHBondContact O-CB 3.31Å; S1949-A1952 PolarHBondContact O-N 3.01Å; S1949-A1952 WeakPolarHBondContact OG-CB 3.42Å; S1949-A1952 PolarHBondContact OG-N 3.36Å |
| 1950 | D | 77.1 | Confident | 82.6 | Confident | 134 Ų | 134 | 64.9 Ų | 64.9 | 72% | 0.717 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -22.4 | 174.4 | -69 | -22.9 | 0 | 0 | 0 | 113.1 | K1955 | D1950-K1955 PolarHBondContact O-NZ 3.12Š|
| 1951 | E | 81.7 | Confident | 82.1 | Confident | 131 Ų | 131 | 65.3 Ų | 65.3 | 61% | 0.612 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -25.6 | 177.3 | -61.8 | -171 | 170.8 | 0 | 0 | 113.3 | L1912 K1916 S1949 E1953 | L1912-E1951 HydrophobicContact CD2-CB 4.37Å; K1916-E1951 VanDerWaalsContact CD-O 3.22Å; K1916-E1951 WeakPolarHBondContact CD-O 3.48Å; K1916-E1951 PolarHBondContact NZ-O 2.78Å; S1949-E1951 PolarHBondContact O-N 3.23Å; S1949-E1951 VanDerWaalsContact O-N 3.07Å; E1951-E1953 VanDerWaalsContact C-N 3.31Å |
| 1952 | A | 84.4 | Confident | 81.7 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.008 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -11.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | K1936 L1940 V1945 S1949 | K1936-A1952 VanDerWaalsContact CE-O 3.26Å; K1936-A1952 WeakPolarHBondContact CE-O 3.38Å; K1936-A1952 PolarHBondContact NZ-O 2.86Å; L1940-A1952 HydrophobicContact CD1-CB 3.61Å; L1940-A1952 HydrophobicContact CD2-CB 4.04Å; V1945-A1952 HydrophobicContact CG1-CB 4.09Å; S1949-A1952 WeakPolarHBondContact O-CB 3.31Å; S1949-A1952 PolarHBondContact O-N 3.01Å; S1949-A1952 WeakPolarHBondContact OG-CB 3.42Å; S1949-A1952 PolarHBondContact OG-N 3.36Å |
| 1953 | E | 82.7 | Confident | 81.3 | Confident | 107 Ų | 107 | 57.5 Ų | 57.5 | 50% | 0.5 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -73.9 | 125.8 | 174.8 | -164.6 | -173.1 | -170.5 | 0 | 0 | 110.1 | E1951 K1955 | E1951-E1953 VanDerWaalsContact C-N 3.31Å; E1953-K1955 PolarHBondContact O-N 2.86Å; E1953-K1955 WeakPolarHBondContact OE2-CE 3.27Å; E1953-K1955 IonicContact OE2-NZ 2.9Å; E1953-K1955 PolarHBondContact OE2-NZ 2.97Å |
| 1954 | W | 86.6 | Confident | 80.4 | Confident | 71 Ų | 71 | 57.4 Ų | 57.4 | 27% | 0.269 | 32% | 0.318 | S | S | . | . | trans | -70.3 | 129 | 173 | -180 | 87.2 | 0 | 0 | 0 | 109.4 | K1916 H1920 N1956 | K1916-W1954 VanDerWaalsContact C-CD1 3.47Å; K1916-W1954 HydrophobicContact CB-CB 4.12Å; K1916-W1954 HydrophobicContact CB-CG 4.4Å; H1920-W1954 HydrophobicContact CB-CB 4.09Å; H1920-W1954 HydrophobicContact CB-CD2 3.84Å; H1920-W1954 HydrophobicContact CB-CE3 4.45Å; H1920-W1954 HydrophobicContact CB-CG 3.66Å; H1920-W1954 AromaticContact CD2-CD2 3.58Å; H1920-W1954 AromaticContact CD2-CE2 3.55Å; H1920-W1954 AromaticContact CD2-CE3 3.6Å; H1920-W1954 AromaticContact CD2-CH2 3.55Å; H1920-W1954 AromaticContact CD2-CZ2 3.55Å; H1920-W1954 AromaticContact CD2-CZ3 3.59Å; H1920-W1954 AromaticContact CE1-CE3 3.51Å; H1920-W1954 AromaticContact CE1-CZ3 3.53Å; H1920-W1954 AromaticContact CG-CD2 3.46Å; H1920-W1954 VanDerWaalsContact CG-CD2 3.46Å; H1920-W1954 AromaticContact CG-CE2 3.84Å; H1920-W1954 AromaticContact CG-CE3 3.62Å; H1920-W1954 AromaticContact CG-CG 3.82Å; H1920-W1954 AromaticContact ND1-CD2 3.86Å; H1920-W1954 AromaticContact ND1-CE3 3.58Å; H1920-W1954 AromaticContact NE2-CE3 3.54Å; H1920-W1954 AromaticContact NE2-CH2 3.42Å; H1920-W1954 WeakPolarHBondContact NE2-CH2 3.49Å; H1920-W1954 AromaticContact NE2-CZ2 3.95Å; H1920-W1954 AromaticContact NE2-CZ3 3.21Å; H1920-W1954 WeakPolarHBondContact NE2-CZ3 3.23Å; W1954-N1956 HydrophobicContact CH2-CB 3.77Å; W1954-N1956 HydrophobicContact CZ2-CB 4.3Å; W1954-N1956 HydrophobicContact CZ3-CB 4.23Å | ||
| 1955 | K | 81.2 | Confident | 79.8 | Confident | 80 Ų | 80 | 55 Ų | 55 | 35% | 0.348 | 29% | 0.289 | S | S | . | . | trans | -126.7 | 132.9 | 175.4 | -69.1 | 170 | -179.7 | 154.2 | 0 | 106.7 | L1905 D1950 E1953 T1957 | L1905-K1955 HydrophobicContact CD1-CB 3.7Å; D1950-K1955 PolarHBondContact O-NZ 3.12Å; E1953-K1955 PolarHBondContact O-N 2.86Å; E1953-K1955 WeakPolarHBondContact OE2-CE 3.27Å; E1953-K1955 IonicContact OE2-NZ 2.9Å; E1953-K1955 PolarHBondContact OE2-NZ 2.97Å; K1955-T1957 PolarHBondContact O-N 3.13Å; K1955-T1957 VanDerWaalsContact O-N 3.15Å | ||
| 1956 | N | 78.8 | Confident | 79.3 | Confident | 50 Ų | 50 | 54.5 Ų | 54.5 | 27% | 0.267 | 29% | 0.285 | S | S | . | . | trans | -54.6 | 124.3 | 176.1 | -171.2 | -29.3 | 0 | 0 | 0 | 108.7 | Y1904 W1954 S1958 R1981 | Y1904-N1956 WeakPolarHBondContact CE1-O 3.44Å; Y1904-N1956 VanDerWaalsContact CZ-O 3.31Å; Y1904-N1956 PolarHBondContact OH-O 2.85Å; W1954-N1956 HydrophobicContact CH2-CB 3.77Å; W1954-N1956 HydrophobicContact CZ2-CB 4.3Å; W1954-N1956 HydrophobicContact CZ3-CB 4.23Å; N1956-S1958 PolarHBondContact OD1-N 2.82Å; N1956-S1958 VanDerWaalsContact OD1-N 3.13Å; N1956-S1958 PolarHBondContact OD1-O 3.44Å; N1956-S1958 VanDerWaalsContact OD1-O 3.09Å; N1956-R1981 PolarHBondContact ND2-NH2 3.04Å; N1956-R1981 VanDerWaalsContact ND2-NH2 3.2Å | ||
| 1957 | T | 76.3 | Confident | 79 | Confident | 44 Ų | 44 | 53.3 Ų | 53.3 | 27% | 0.27 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -79.7 | -21.9 | -171.6 | 52.3 | 0 | 0 | 0 | 0 | 113.2 | L1905 M1907 K1955 | L1905-T1957 HydrophobicContact CD1-CG2 4.15Å; M1907-T1957 HydrophobicContact SD-CG2 3.59Å; M1907-T1957 VanDerWaalsContact SD-CG2 3.59Å; K1955-T1957 PolarHBondContact O-N 3.13Å; K1955-T1957 VanDerWaalsContact O-N 3.15Å |
| 1958 | S | 77.2 | Confident | 78.9 | Confident | 24 Ų | 24 | 49.7 Ų | 49.7 | 17% | 0.168 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -108.5 | 130.4 | -179 | -174.5 | 0 | 0 | 0 | 0 | 110.4 | N1956 R1981 | N1956-S1958 PolarHBondContact OD1-N 2.82Å; N1956-S1958 VanDerWaalsContact OD1-N 3.13Å; N1956-S1958 PolarHBondContact OD1-O 3.44Å; N1956-S1958 VanDerWaalsContact OD1-O 3.09Å; S1958-R1981 PolarHBondContact O-NH2 3.21Å |
| 1959 | L | 79.9 | Confident | 78.4 | Confident | 16 Ų | 16 | 45.3 Ų | 45.3 | 8% | 0.084 | 23% | 0.231 | C | C | . | . | trans | -70.3 | 173.5 | 162.4 | -64.5 | 175.2 | 0 | 0 | 0 | 109.6 | G1902 Y1904 C1980 R1981 Q2062 V2066 | G1902-L1959 WeakPolarHBondContact O-CB 3.33Å; G1902-L1959 WeakPolarHBondContact O-CG 3.3Å; G1902-L1959 PolarHBondContact O-N 2.94Å; Y1904-L1959 HydrophobicContact CD1-CD1 4.14Å; Y1904-L1959 HydrophobicContact CD1-CD2 3.63Å; Y1904-L1959 HydrophobicContact CD1-CG 3.45Å; Y1904-L1959 VanDerWaalsContact CD1-CG 3.45Å; Y1904-L1959 HydrophobicContact CD2-CD2 4.47Å; Y1904-L1959 HydrophobicContact CE1-CD2 3.76Å; Y1904-L1959 HydrophobicContact CE1-CG 4.05Å; Y1904-L1959 HydrophobicContact CG-CD1 4.02Å; Y1904-L1959 HydrophobicContact CG-CD2 4Å; Y1904-L1959 HydrophobicContact CG-CG 3.84Å; L1959-C1980 VanDerWaalsContact O-CB 3.29Å; L1959-C1980 WeakPolarHBondContact O-CB 3.45Å; L1959-R1981 PolarHBondContact O-NE 3.5Å; L1959-R1981 VanDerWaalsContact O-NE 3.08Å; L1959-Q2062 HydrophobicContact CD1-CB 4.47Å; L1959-V2066 HydrophobicContact CB-CG2 4.05Å; L1959-V2066 HydrophobicContact CD1-CG2 3.4Å; L1959-V2066 HydrophobicContact CG-CG2 4.33Å | ||
| 1960 | S | 77.2 | Confident | 77.5 | Confident | 46 Ų | 46 | 48 Ų | 48 | 32% | 0.322 | 24% | 0.239 | S | C | . | . | trans | -134.7 | 135.7 | 176 | 177.5 | 0 | 0 | 0 | 0 | 107 | I1962 D1978 | S1960-I1962 VanDerWaalsContact OG-CG1 3.28Å; S1960-I1962 WeakPolarHBondContact OG-CG1 3.41Å; S1960-D1978 WeakPolarHBondContact CB-OD2 2.83Å; S1960-D1978 PolarHBondContact OG-OD1 2.7Å; S1960-D1978 PolarHBondContact OG-OD2 2.98Å | ||
| 1961 | L | 81.8 | Confident | 77.1 | Confident | 12 Ų | 12 | 43 Ų | 43 | 6% | 0.063 | 22% | 0.215 | C | C | . | . | trans | -128.5 | 98.9 | 170.9 | -174.2 | 71.6 | 0 | 0 | 0 | 107 | L1979 L2012 V2066 Y2067 I2070 | L1961-L1979 HydrophobicContact CD2-CD1 4.46Å; L1961-L1979 PolarHBondContact O-N 2.84Å; L1961-L2012 HydrophobicContact CD2-CD2 3.8Å; L1961-V2066 HydrophobicContact CB-CG1 4.19Å; L1961-Y2067 HydrophobicContact CD1-CE1 4.29Å; L1961-Y2067 HydrophobicContact CD1-CE2 4.05Å; L1961-Y2067 HydrophobicContact CD2-CD1 4Å; L1961-Y2067 HydrophobicContact CD2-CE1 3.85Å; L1961-Y2067 HydrophobicContact CD2-CG 4.44Å; L1961-I2070 HydrophobicContact CB-CD1 4.31Å; L1961-I2070 HydrophobicContact CD2-CD1 3.39Å; L1961-I2070 HydrophobicContact CG-CD1 4.44Å | ||
| 1962 | I | 77.6 | Confident | 76.6 | Confident | 39 Ų | 39 | 38 Ų | 38 | 20% | 0.2 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 123.2 | -174.3 | -61.3 | 174.9 | 0 | 0 | 0 | 108.8 | V1588 S1960 P1964 N1976 L1977 D1978 | V1588-I1962 HydrophobicContact CG1-CB 4.44Å; V1588-I1962 HydrophobicContact CG1-CD1 4.33Å; V1588-I1962 HydrophobicContact CG1-CG2 4.39Å; S1960-I1962 VanDerWaalsContact OG-CG1 3.28Å; S1960-I1962 WeakPolarHBondContact OG-CG1 3.41Å; I1962-P1964 VanDerWaalsContact O-CD 3.27Å; I1962-P1964 WeakPolarHBondContact O-CD 3.48Å; I1962-N1976 HydrophobicContact CG2-CB 3.64Å; I1962-L1977 CarbonylContact C-O 3.58Å; I1962-L1977 VanDerWaalsContact CA-O 3.31Å; I1962-L1977 WeakPolarHBondContact CA-O 3.37Å; I1962-D1978 HydrophobicContact CG1-CB 4.13Å |
| 1963 | L | 78.1 | Confident | 76 | Confident | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 108.5 | 161.3 | -63.2 | 177.2 | 0 | 0 | 0 | 108.4 | N1976 L1977 L1979 I2008 R2011 L2012 | L1963-N1976 WeakPolarHBondContact O-CA 3.2Å; L1963-L1977 HydrophobicContact CB-CB 4.28Å; L1963-L1977 PolarHBondContact N-O 3.35Å; L1963-L1977 PolarHBondContact O-N 2.98Å; L1963-L1979 HydrophobicContact CD1-CD1 3.97Å; L1963-L1979 HydrophobicContact CD1-CD2 4.45Å; L1963-L1979 HydrophobicContact CD1-CG 4.45Å; L1963-L1979 HydrophobicContact CG-CD1 4.2Å; L1963-I2008 HydrophobicContact CD1-CG2 3.55Å; L1963-R2011 HydrophobicContact CD2-CB 4.45Å; L1963-L2012 HydrophobicContact CD1-CD2 4.39Å; L1963-L2012 HydrophobicContact CD1-CG 4.19Å; L1963-L2012 HydrophobicContact CD2-CD2 3.95Å; L1963-L2012 HydrophobicContact CD2-CG 4.25Å; L1963-L2012 HydrophobicContact CG-CD2 4.44Å |
| 1964 | P | 68.9 | Low | 75.5 | Confident | 13 Ų | 13 | 35.4 Ų | 35.4 | 8% | 0.084 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 149.9 | -178.6 | 18.3 | -26.7 | 0 | 0 | 0 | 113.4 | D1585 V1588 I1962 F1966 N1976 R2011 | D1585-P1964 WeakPolarHBondContact OD1-CG 3.39Å; V1588-P1964 HydrophobicContact CG2-CB 3.44Å; V1588-P1964 VanDerWaalsContact CG2-CB 3.44Å; V1588-P1964 HydrophobicContact CG2-CG 3.47Å; V1588-P1964 VanDerWaalsContact CG2-CG 3.47Å; I1962-P1964 VanDerWaalsContact O-CD 3.27Å; I1962-P1964 WeakPolarHBondContact O-CD 3.48Å; P1964-F1966 VanDerWaalsContact C-N 3.25Å; P1964-F1966 PolarHBondContact O-N 3.22Å; P1964-F1966 VanDerWaalsContact O-N 3.08Å; P1964-N1976 VanDerWaalsContact CA-OD1 3.28Å; P1964-N1976 WeakPolarHBondContact CA-OD1 3.45Å; P1964-R2011 PolarHBondContact O-NH1 2.87Å; P1964-R2011 VanDerWaalsContact O-NH1 3.12Å |
| 1965 | N | 70.1 | Confident | 75 | Confident | 20 Ų | 20 | 33.7 Ų | 33.7 | 11% | 0.107 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 46 | 47.6 | 164 | -69.1 | -27.1 | 0 | 0 | 0 | 113.3 | L1587 Y1694 I1967 S1974 N1976 R2011 | L1587-N1965 WeakPolarHBondContact CD1-ND2 3.23Å; Y1694-N1965 PolarHBondContact OH-ND2 2.87Å; N1965-I1967 PolarHBondContact O-N 2.88Å; N1965-S1974 WeakPolarHBondContact CA-OG 3.26Å; N1965-N1976 PolarHBondContact N-OD1 3.34Å; N1965-R2011 PolarHBondContact O-NH1 3.21Å |
| 1966 | F | 77.3 | Confident | 74.8 | Confident | 9 Ų | 9 | 32.4 Ų | 32.4 | 4% | 0.039 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 115.2 | 173.4 | -155.8 | -88.1 | 0 | 0 | 0 | 108.9 | P1964 S1974 R1975 L1977 Y2003 D2007 I2008 | P1964-F1966 VanDerWaalsContact C-N 3.25Å; P1964-F1966 PolarHBondContact O-N 3.22Å; P1964-F1966 VanDerWaalsContact O-N 3.08Å; F1966-S1974 WeakPolarHBondContact O-CA 3.4Å; F1966-R1975 PolarHBondContact N-O 3.43Å; F1966-R1975 PolarHBondContact O-N 3.44Å; F1966-L1977 HydrophobicContact CB-CD1 3.68Å; F1966-L1977 HydrophobicContact CB-CD2 4.4Å; F1966-L1977 HydrophobicContact CB-CG 3.68Å; F1966-L1977 HydrophobicContact CD1-CD1 3.81Å; F1966-L1977 HydrophobicContact CD2-CD1 3.95Å; F1966-L1977 HydrophobicContact CE1-CD1 4.47Å; F1966-L1977 HydrophobicContact CG-CD1 3.51Å; F1966-L1977 HydrophobicContact CG-CG 4.12Å; F1966-Y2003 AromaticContact CD1-CD1 3.65Å; F1966-Y2003 HydrophobicContact CD1-CD1 3.65Å; F1966-Y2003 AromaticContact CD1-CE1 3.67Å; F1966-Y2003 HydrophobicContact CD1-CE1 3.67Å; F1966-Y2003 HydrophobicContact CD1-CG 4.3Å; F1966-Y2003 AromaticContact CE1-CD1 3.4Å; F1966-Y2003 HydrophobicContact CE1-CD1 3.4Å; F1966-Y2003 VanDerWaalsContact CE1-CD1 3.4Å; F1966-Y2003 AromaticContact CE1-CE1 3.94Å; F1966-Y2003 HydrophobicContact CE1-CE1 3.94Å; F1966-Y2003 AromaticContact CE1-CG 3.92Å; F1966-Y2003 HydrophobicContact CE1-CG 3.92Å; F1966-D2007 HydrophobicContact CE2-CB 4.49Å; F1966-D2007 HydrophobicContact CZ-CB 4.05Å; F1966-I2008 HydrophobicContact CD2-CG1 4.37Å; F1966-I2008 HydrophobicContact CE1-CD1 4.39Å; F1966-I2008 HydrophobicContact CE1-CG1 4.13Å; F1966-I2008 HydrophobicContact CE2-CB 4.48Å; F1966-I2008 HydrophobicContact CE2-CD1 4.46Å; F1966-I2008 HydrophobicContact CE2-CG1 3.49Å; F1966-I2008 VanDerWaalsContact CE2-CG1 3.49Å; F1966-I2008 HydrophobicContact CZ-CD1 4.06Å; F1966-I2008 HydrophobicContact CZ-CG1 3.34Å |
| 1967 | I | 77.2 | Confident | 74.8 | Confident | 22 Ų | 22 | 30 Ų | 30 | 11% | 0.113 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 122.5 | -173.4 | -56.4 | 170.6 | 0 | 0 | 0 | 109 | Y1694 R1695 N1965 K1969 N1972 | Y1694-I1967 HydrophobicContact CD1-CD1 3.85Å; Y1694-I1967 HydrophobicContact CE1-CD1 4.33Å; R1695-I1967 HydrophobicContact CB-CD1 3.99Å; R1695-I1967 HydrophobicContact CB-CG2 4.23Å; R1695-I1967 HydrophobicContact CG-CD1 4.47Å; R1695-I1967 HydrophobicContact CG-CG2 4.35Å; N1965-I1967 PolarHBondContact O-N 2.88Å; I1967-K1969 PolarHBondContact O-N 2.63Å; I1967-N1972 WeakPolarHBondContact CG2-OD1 3.4Å |
| 1968 | C | 77 | Confident | 75.1 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -63.8 | 123 | 171.5 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | Q1970 C1971 N1972 M1973 C1996 C1999 Y2003 | C1968-Q1970 PolarHBondContact O-N 2.98Å; C1968-Q1970 VanDerWaalsContact O-N 3.12Å; C1968-C1971 VanDerWaalsContact SG-SG 3.63Å; C1968-N1972 WeakPolarHBondContact O-CA 3.39Å; C1968-N1972 PolarHBondContact O-N 2.65Å; C1968-M1973 PolarHBondContact N-O 2.97Å; C1968-C1996 HydrophobicContact CB-CB 4.08Å; C1968-C1996 VanDerWaalsContact SG-CB 3.57Å; C1968-C1999 PolarHBondContact SG-SG 2.99Å; C1968-Y2003 HydrophobicContact CB-CE1 4.02Å | ||
| 1969 | K | 72 | Confident | 75.4 | Confident | 89 Ų | 89 | 28 Ų | 28 | 39% | 0.387 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -24.8 | 179.9 | -64.8 | -174.3 | -179.5 | 172.1 | 0 | 113.6 | R1695 I1967 D2007 | R1695-K1969 PolarHBondContact NH1-O 2.8Å; I1967-K1969 PolarHBondContact O-N 2.63Å; K1969-D2007 WeakPolarHBondContact CE-OD2 3.48Å; K1969-D2007 IonicContact NZ-OD1 3.78Å; K1969-D2007 IonicContact NZ-OD2 3.79Å; K1969-D2007 PolarHBondContact NZ-OD2 3.28Å |
| 1970 | Q | 65.6 | Low | 75.4 | Confident | 95 Ų | 95 | 27.8 Ų | 27.8 | 44% | 0.444 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -60.4 | -177 | -171.8 | 65.5 | 20.8 | 0 | 0 | 113.4 | C1968 N2001 | C1968-Q1970 PolarHBondContact O-N 2.98Å; C1968-Q1970 VanDerWaalsContact O-N 3.12Å; Q1970-N2001 HydrophobicContact CB-CB 3.79Å; Q1970-N2001 HydrophobicContact CG-CB 4.4Å |
| 1971 | C | 66.8 | Low | 75.4 | Confident | 31 Ų | 31 | 28.4 Ų | 28.4 | 21% | 0.209 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -0.4 | -176.3 | 68.4 | 0 | 0 | 0 | 0 | 114 | C1968 M1973 C1996 C1999 | C1968-C1971 VanDerWaalsContact SG-SG 3.63Å; C1971-M1973 PolarHBondContact O-N 3.22Å; C1971-M1973 VanDerWaalsContact SG-CB 3.59Å; C1971-C1996 PolarHBondContact SG-SG 2.77Å; C1971-C1999 HydrophobicContact CB-CB 3.72Å; C1971-C1999 PolarHBondContact SG-SG 2.91Å |
| 1972 | N | 72.6 | Confident | 75.1 | Confident | 26 Ų | 26 | 28.8 Ų | 28.8 | 14% | 0.139 | 14% | 0.142 | C | C | . | . | trans | 57.8 | 12 | 179.9 | -151.9 | 67.5 | 0 | 0 | 0 | 115.5 | I1691 H1692 I1967 C1968 S1974 | I1691-N1972 HydrophobicContact CG2-CB 3.83Å; I1691-N1972 PolarHBondContact O-ND2 2.97Å; H1692-N1972 PolarHBondContact ND1-OD1 2.64Å; I1967-N1972 WeakPolarHBondContact CG2-OD1 3.4Å; C1968-N1972 WeakPolarHBondContact O-CA 3.39Å; C1968-N1972 PolarHBondContact O-N 2.65Å; N1972-S1974 PolarHBondContact O-N 2.73Å; N1972-S1974 VanDerWaalsContact O-N 3.16Å | ||
| 1973 | M | 72 | Confident | 74.6 | Confident | 38 Ų | 38 | 33.8 Ų | 33.8 | 19% | 0.187 | 16% | 0.163 | C | C | . | . | trans | -63.9 | 117.7 | 171.3 | -173.7 | 179.4 | 77 | 0 | 0 | 109.1 | C1968 C1971 C1996 P1997 R1998 | C1968-M1973 PolarHBondContact N-O 2.97Å; C1971-M1973 PolarHBondContact O-N 3.22Å; C1971-M1973 VanDerWaalsContact SG-CB 3.59Å; M1973-C1996 WeakPolarHBondContact CE-SG 3.26Å; M1973-P1997 HydrophobicContact CE-CG 3.48Å; M1973-P1997 VanDerWaalsContact CE-CG 3.48Å; M1973-R1998 HydrophobicContact CE-CB 4.01Å; M1973-R1998 HydrophobicContact SD-CB 3.62Å | ||
| 1974 | S | 72.4 | Confident | 74 | Confident | 14 Ų | 14 | 36.7 Ų | 36.7 | 10% | 0.098 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 134.9 | 170 | -164.6 | 0 | 0 | 0 | 0 | 108.8 | N1741 N1965 F1966 N1972 | N1741-S1974 PolarHBondContact ND2-O 3.33Å; N1965-S1974 WeakPolarHBondContact CA-OG 3.26Å; F1966-S1974 WeakPolarHBondContact O-CA 3.4Å; N1972-S1974 PolarHBondContact O-N 2.73Å; N1972-S1974 VanDerWaalsContact O-N 3.16Å |
| 1975 | R | 74.8 | Confident | 74 | Confident | 36 Ų | 36 | 37.2 Ų | 37.2 | 14% | 0.136 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 157 | 170.8 | 75.1 | -174.3 | -168.8 | 94.1 | -11.9 | 110.9 | F1966 L1977 D1982 Y2003 | F1966-R1975 PolarHBondContact N-O 3.43Å; F1966-R1975 PolarHBondContact O-N 3.44Å; R1975-L1977 HydrophobicContact CG-CD2 3.82Å; R1975-L1977 VanDerWaalsContact NE-CD2 3.32Å; R1975-L1977 VanDerWaalsContact NH2-CD2 3.31Å; R1975-D1982 IonicContact CZ-OD2 3.25Å; R1975-D1982 VanDerWaalsContact CZ-OD2 3.27Å; R1975-D1982 IonicContact NH1-OD2 3.78Å; R1975-D1982 PolarHBondContact NH1-OD2 2.6Å; R1975-D1982 IonicContact NH2-OD2 3.03Å; R1975-D1982 PolarHBondContact NH2-OD2 3.22Å; R1975-Y2003 PolarHBondContact NE-OH 3.44Å |
| 1976 | N | 76.6 | Confident | 73.5 | Confident | 53 Ų | 53 | 39 Ų | 39 | 28% | 0.283 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 133.3 | 168.4 | -68.9 | -9.6 | 0 | 0 | 0 | 108.9 | I1962 L1963 P1964 N1965 | I1962-N1976 HydrophobicContact CG2-CB 3.64Å; L1963-N1976 WeakPolarHBondContact O-CA 3.2Å; P1964-N1976 VanDerWaalsContact CA-OD1 3.28Å; P1964-N1976 WeakPolarHBondContact CA-OD1 3.45Å; N1965-N1976 PolarHBondContact N-OD1 3.34Å |
| 1977 | L | 80.1 | Confident | 72 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 107 | 174.7 | -54.2 | -178.2 | 0 | 0 | 0 | 108.9 | I1962 L1963 F1966 R1975 L1979 L1985 Y2003 I2008 | I1962-L1977 CarbonylContact C-O 3.58Å; I1962-L1977 VanDerWaalsContact CA-O 3.31Å; I1962-L1977 WeakPolarHBondContact CA-O 3.37Å; L1963-L1977 HydrophobicContact CB-CB 4.28Å; L1963-L1977 PolarHBondContact N-O 3.35Å; L1963-L1977 PolarHBondContact O-N 2.98Å; F1966-L1977 HydrophobicContact CB-CD1 3.68Å; F1966-L1977 HydrophobicContact CB-CD2 4.4Å; F1966-L1977 HydrophobicContact CB-CG 3.68Å; F1966-L1977 HydrophobicContact CD1-CD1 3.81Å; F1966-L1977 HydrophobicContact CD2-CD1 3.95Å; F1966-L1977 HydrophobicContact CE1-CD1 4.47Å; F1966-L1977 HydrophobicContact CG-CD1 3.51Å; F1966-L1977 HydrophobicContact CG-CG 4.12Å; R1975-L1977 HydrophobicContact CG-CD2 3.82Å; R1975-L1977 VanDerWaalsContact NE-CD2 3.32Å; R1975-L1977 VanDerWaalsContact NH2-CD2 3.31Å; L1977-L1979 HydrophobicContact CB-CD2 4.24Å; L1977-L1979 PolarHBondContact O-N 2.97Å; L1977-L1985 HydrophobicContact CB-CD1 4.33Å; L1977-Y2003 HydrophobicContact CD2-CE2 4.27Å; L1977-I2008 HydrophobicContact CD1-CD1 4.22Å |
| 1978 | D | 81.9 | Confident | 70.5 | Confident | 13 Ų | 13 | 45 Ų | 45 | 7% | 0.07 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 98.2 | 171.7 | -171.3 | -21.6 | 0 | 0 | 0 | 109.8 | S1960 I1962 C1980 R1981 D1982 | S1960-D1978 WeakPolarHBondContact CB-OD2 2.83Å; S1960-D1978 PolarHBondContact OG-OD1 2.7Å; S1960-D1978 PolarHBondContact OG-OD2 2.98Å; I1962-D1978 HydrophobicContact CG1-CB 4.13Å; D1978-C1980 PolarHBondContact O-N 3.2Å; D1978-C1980 VanDerWaalsContact O-N 3.07Å; D1978-C1980 PolarHBondContact OD1-N 2.96Å; D1978-R1981 HydrophobicContact CB-CB 4.4Å; D1978-R1981 PolarHBondContact O-N 2.72Å; D1978-R1981 PolarHBondContact OD1-N 2.99Å; D1978-R1981 WeakPolarHBondContact OD2-CB 3.4Å; D1978-R1981 WeakPolarHBondContact OD2-CD 3.47Å; D1978-R1981 WeakPolarHBondContact OD2-CG 3.49Å; D1978-D1982 WeakPolarHBondContact O-CB 3.36Å; D1978-D1982 PolarHBondContact O-N 3.2Å |
| 1979 | L | 83.1 | Confident | 69 | Low | 12 Ų | 12 | 51.3 Ų | 51.3 | 6% | 0.063 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -10.1 | -174.7 | -57.1 | -176.7 | 0 | 0 | 0 | 113.9 | L1961 L1963 L1977 L1985 W1994 L2012 I2070 | L1961-L1979 HydrophobicContact CD2-CD1 4.46Å; L1961-L1979 PolarHBondContact O-N 2.84Å; L1963-L1979 HydrophobicContact CD1-CD1 3.97Å; L1963-L1979 HydrophobicContact CD1-CD2 4.45Å; L1963-L1979 HydrophobicContact CD1-CG 4.45Å; L1963-L1979 HydrophobicContact CG-CD1 4.2Å; L1977-L1979 HydrophobicContact CB-CD2 4.24Å; L1977-L1979 PolarHBondContact O-N 2.97Å; L1979-L1985 HydrophobicContact CD2-CD1 3.69Å; L1979-W1994 HydrophobicContact CD2-CH2 4.24Å; L1979-W1994 HydrophobicContact CD2-CZ3 4.13Å; L1979-L2012 HydrophobicContact CD1-CD1 3.92Å; L1979-L2012 HydrophobicContact CD1-CD2 3.63Å; L1979-L2012 HydrophobicContact CD1-CG 4.17Å; L1979-I2070 HydrophobicContact CB-CD1 3.82Å; L1979-I2070 HydrophobicContact CD1-CD1 4.03Å; L1979-I2070 HydrophobicContact CD1-CG2 4.24Å |
| 1980 | C | 80.3 | Confident | 67.6 | Low | 11 Ų | 11 | 51.4 Ų | 51.4 | 7% | 0.074 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -24.9 | 177.8 | -60.4 | 0 | 0 | 0 | 0 | 112.9 | L1959 D1978 V2066 | L1959-C1980 VanDerWaalsContact O-CB 3.29Å; L1959-C1980 WeakPolarHBondContact O-CB 3.45Å; D1978-C1980 PolarHBondContact O-N 3.2Å; D1978-C1980 VanDerWaalsContact O-N 3.07Å; D1978-C1980 PolarHBondContact OD1-N 2.96Å; C1980-V2066 VanDerWaalsContact SG-CG1 3.5Å |
| 1981 | R | 76.7 | Confident | 66.7 | Low | 60 Ų | 60 | 52.9 Ų | 52.9 | 23% | 0.226 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.6 | -16.2 | -167 | -53.1 | -177.4 | -175.4 | -179.3 | 0.1 | 114.8 | D1790 N1792 N1956 S1958 L1959 D1978 F1983 | D1790-R1981 IonicContact OD2-NH1 2.74Å; D1790-R1981 PolarHBondContact OD2-NH1 3.02Å; N1792-R1981 HydrophobicContact CB-CB 4.42Å; N1792-R1981 WeakPolarHBondContact ND2-CB 3.47Å; N1956-R1981 PolarHBondContact ND2-NH2 3.04Å; N1956-R1981 VanDerWaalsContact ND2-NH2 3.2Å; S1958-R1981 PolarHBondContact O-NH2 3.21Å; L1959-R1981 PolarHBondContact O-NE 3.5Å; L1959-R1981 VanDerWaalsContact O-NE 3.08Å; D1978-R1981 HydrophobicContact CB-CB 4.4Å; D1978-R1981 PolarHBondContact O-N 2.72Å; D1978-R1981 PolarHBondContact OD1-N 2.99Å; D1978-R1981 WeakPolarHBondContact OD2-CB 3.4Å; D1978-R1981 WeakPolarHBondContact OD2-CD 3.47Å; D1978-R1981 WeakPolarHBondContact OD2-CG 3.49Å; R1981-F1983 PolarHBondContact O-N 2.96Å |
| 1982 | D | 75.1 | Confident | 66.1 | Low | 20 Ų | 20 | 56.1 Ų | 56.1 | 11% | 0.107 | 29% | 0.291 | C | S | . | . | trans | -71.2 | 110.2 | 179.7 | -174.2 | -9.9 | 0 | 0 | 0 | 110.8 | R1975 D1978 E1984 L1985 S1986 | R1975-D1982 IonicContact CZ-OD2 3.25Å; R1975-D1982 VanDerWaalsContact CZ-OD2 3.27Å; R1975-D1982 IonicContact NH1-OD2 3.78Å; R1975-D1982 PolarHBondContact NH1-OD2 2.6Å; R1975-D1982 IonicContact NH2-OD2 3.03Å; R1975-D1982 PolarHBondContact NH2-OD2 3.22Å; D1978-D1982 WeakPolarHBondContact O-CB 3.36Å; D1978-D1982 PolarHBondContact O-N 3.2Å; D1982-E1984 VanDerWaalsContact C-N 3.26Å; D1982-E1984 PolarHBondContact O-N 3.15Å; D1982-E1984 PolarHBondContact OD1-N 3.09Å; D1982-E1984 VanDerWaalsContact OD1-N 3.11Å; D1982-L1985 HydrophobicContact CB-CB 4.39Å; D1982-L1985 HydrophobicContact CB-CD1 3.87Å; D1982-L1985 HydrophobicContact CB-CG 3.95Å; D1982-L1985 WeakPolarHBondContact O-CB 3.47Å; D1982-L1985 PolarHBondContact O-N 2.9Å; D1982-S1986 PolarHBondContact O-N 2.87Å; D1982-S1986 VanDerWaalsContact O-N 3.15Å | ||
| 1983 | F | 67.2 | Low | 65.6 | Low | 144 Ų | 144 | 57.7 Ų | 57.7 | 63% | 0.632 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -60.2 | -32.4 | -176.8 | -174.9 | -86.3 | 0 | 0 | 0 | 113.5 | R1981 L1985 S1986 N1987 | R1981-F1983 PolarHBondContact O-N 2.96Å; F1983-L1985 PolarHBondContact O-N 2.83Å; F1983-S1986 PolarHBondContact O-N 2.66Å; F1983-N1987 HydrophobicContact CD2-CB 4.48Å; F1983-N1987 WeakPolarHBondContact CD2-ND2 3.45Å; F1983-N1987 HydrophobicContact CE1-CB 4.37Å; F1983-N1987 HydrophobicContact CE2-CB 4.27Å; F1983-N1987 WeakPolarHBondContact CE2-ND2 3.29Å; F1983-N1987 HydrophobicContact CZ-CB 4.18Å; F1983-N1987 VanDerWaalsContact CZ-ND2 3.26Å; F1983-N1987 WeakPolarHBondContact CZ-ND2 3.39Å |
| 1984 | E | 66 | Low | 65.8 | Low | 64 Ų | 64 | 58.7 Ų | 58.7 | 30% | 0.299 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -69.4 | -15.9 | 177.9 | -72 | -82.1 | 175.4 | 0 | 0 | 111.9 | D1982 R2000 | D1982-E1984 VanDerWaalsContact C-N 3.26Å; D1982-E1984 PolarHBondContact O-N 3.15Å; D1982-E1984 PolarHBondContact OD1-N 3.09Å; D1982-E1984 VanDerWaalsContact OD1-N 3.11Å; E1984-R2000 IonicContact OE1-NH1 2.88Å; E1984-R2000 IonicContact OE1-NH2 2.81Å; E1984-R2000 IonicContact OE2-NH1 2.81Å; E1984-R2000 PolarHBondContact OE2-NH1 3.16Å |
| 1985 | L | 68.8 | Low | 66 | Low | 24 Ų | 24 | 60.8 Ų | 60.8 | 13% | 0.126 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -99.4 | -27.4 | 176.1 | -52.5 | -178.8 | 0 | 0 | 0 | 112.8 | L1977 L1979 D1982 F1983 W1994 | L1977-L1985 HydrophobicContact CB-CD1 4.33Å; L1979-L1985 HydrophobicContact CD2-CD1 3.69Å; D1982-L1985 HydrophobicContact CB-CB 4.39Å; D1982-L1985 HydrophobicContact CB-CD1 3.87Å; D1982-L1985 HydrophobicContact CB-CG 3.95Å; D1982-L1985 WeakPolarHBondContact O-CB 3.47Å; D1982-L1985 PolarHBondContact O-N 2.9Å; F1983-L1985 PolarHBondContact O-N 2.83Å; L1985-W1994 HydrophobicContact CD2-CB 3.67Å; L1985-W1994 HydrophobicContact CD2-CD2 3.85Å; L1985-W1994 HydrophobicContact CD2-CE3 4.28Å; L1985-W1994 HydrophobicContact CD2-CG 3.57Å |
| 1986 | S | 59.2 | Low | 65.9 | Low | 58 Ų | 58 | 59 Ų | 59 | 41% | 0.406 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -95.7 | -22.9 | -163.7 | 71.4 | 0 | 0 | 0 | 0 | 116.7 | D1982 F1983 | D1982-S1986 PolarHBondContact O-N 2.87Å; D1982-S1986 VanDerWaalsContact O-N 3.15Å; F1983-S1986 PolarHBondContact O-N 2.66Å |
| 1987 | N | 46.9 | Very low | 65.6 | Low | 84 Ų | 84 | 59.3 Ų | 59.3 | 45% | 0.449 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -104 | 10 | -154.7 | -99.5 | 25.3 | 0 | 0 | 0 | 119.2 | F1983 | F1983-N1987 HydrophobicContact CD2-CB 4.48Å; F1983-N1987 WeakPolarHBondContact CD2-ND2 3.45Å; F1983-N1987 HydrophobicContact CE1-CB 4.37Å; F1983-N1987 HydrophobicContact CE2-CB 4.27Å; F1983-N1987 WeakPolarHBondContact CE2-ND2 3.29Å; F1983-N1987 HydrophobicContact CZ-CB 4.18Å; F1983-N1987 VanDerWaalsContact CZ-ND2 3.26Å; F1983-N1987 WeakPolarHBondContact CZ-ND2 3.39Å |
| 1988 | D | 44.6 | Very low | 65.1 | Low | 72 Ų | 72 | 64 Ų | 64 | 39% | 0.385 | 33% | 0.326 | S | S | . | . | trans | -140 | 105.2 | 173.8 | -117.9 | -16.1 | 0 | 0 | 0 | 110 | T1990 R1991 | D1988-T1990 PolarHBondContact O-N 2.85Å; D1988-T1990 PolarHBondContact OD1-OG1 3.25Å; D1988-T1990 PolarHBondContact OD2-OG1 2.65Å; D1988-R1991 HydrophobicContact CB-CB 3.86Å; D1988-R1991 HydrophobicContact CB-CG 3.55Å; D1988-R1991 PolarHBondContact O-N 2.69Å; D1988-R1991 IonicContact OD2-CZ 3.36Å; D1988-R1991 IonicContact OD2-NE 3.93Å; D1988-R1991 PolarHBondContact OD2-NE 3.31Å; D1988-R1991 IonicContact OD2-NH2 3.94Å | ||
| 1989 | S | 46 | Very low | 64.3 | Low | 133 Ų | 133 | 65.7 Ų | 65.7 | 93% | 0.93 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -7.4 | 168 | 55 | 0 | 0 | 0 | 0 | 112.7 | ||
| 1990 | T | 43.9 | Very low | 63.9 | Low | 91 Ų | 91 | 71.5 Ų | 71.5 | 56% | 0.558 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -16.9 | 173.4 | 53.2 | 0 | 0 | 0 | 0 | 114.3 | D1988 | D1988-T1990 PolarHBondContact O-N 2.85Å; D1988-T1990 PolarHBondContact OD1-OG1 3.25Å; D1988-T1990 PolarHBondContact OD2-OG1 2.65Å |
| 1991 | R | 45.5 | Very low | 63.4 | Low | 127 Ų | 127 | 73.8 Ų | 73.8 | 48% | 0.479 | 37% | 0.371 | S | S | . | . | trans | -90.5 | 106.4 | -179 | -75.4 | 177.6 | -162.5 | -163.4 | -1.8 | 109.9 | D1988 T1993 | D1988-R1991 HydrophobicContact CB-CB 3.86Å; D1988-R1991 HydrophobicContact CB-CG 3.55Å; D1988-R1991 PolarHBondContact O-N 2.69Å; D1988-R1991 IonicContact OD2-CZ 3.36Å; D1988-R1991 IonicContact OD2-NE 3.93Å; D1988-R1991 PolarHBondContact OD2-NE 3.31Å; D1988-R1991 IonicContact OD2-NH2 3.94Å; R1991-T1993 PolarHBondContact O-N 3.44Å | ||
| 1992 | E | 54.6 | Low | 63.2 | Low | 99 Ų | 99 | 73.1 Ų | 73.1 | 46% | 0.463 | 38% | 0.375 | S | S | . | . | trans | -77.4 | -2.8 | 176.9 | -62.4 | -173.1 | 148.4 | 0 | 0 | 113.7 | R688 | R688-E1992 VanDerWaalsContact CB-OE1 3.28Å; R688-E1992 WeakPolarHBondContact CB-OE1 3.42Å; R688-E1992 WeakPolarHBondContact CD-OE1 3.43Å; R688-E1992 WeakPolarHBondContact CG-OE1 3.22Å; R688-E1992 IonicContact CZ-OE1 3.88Å; R688-E1992 IonicContact NE-OE1 3.23Å; R688-E1992 PolarHBondContact NE-OE1 2.97Å; R688-E1992 IonicContact NH1-OE1 3.46Å; R688-E1992 PolarHBondContact NH1-OE1 3.3Å | ||
| 1993 | T | 61.9 | Low | 63.2 | Low | 58 Ų | 58 | 72.5 Ų | 72.5 | 36% | 0.356 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -137.8 | 135.4 | -169.6 | 36.9 | 0 | 0 | 0 | 0 | 111.1 | R1991 F1995 | R1991-T1993 PolarHBondContact O-N 3.44Å; T1993-F1995 WeakPolarHBondContact O-CE2 3.25Å; T1993-F1995 WeakPolarHBondContact OG1-CZ 3.26Å |
| 1994 | W | 75.3 | Confident | 63.3 | Low | 60 Ų | 60 | 67.1 Ų | 67.1 | 23% | 0.227 | 35% | 0.354 | C | S | . | . | trans | -97.3 | 134.6 | 177.1 | -64.2 | -20.1 | 0 | 0 | 0 | 110.2 | L1979 L1985 S2002 Y2003 L2005 I2008 | L1979-W1994 HydrophobicContact CD2-CH2 4.24Å; L1979-W1994 HydrophobicContact CD2-CZ3 4.13Å; L1985-W1994 HydrophobicContact CD2-CB 3.67Å; L1985-W1994 HydrophobicContact CD2-CD2 3.85Å; L1985-W1994 HydrophobicContact CD2-CE3 4.28Å; L1985-W1994 HydrophobicContact CD2-CG 3.57Å; W1994-S2002 CarbonylContact O-C 3.45Å; W1994-S2002 WeakPolarHBondContact O-CA 3.14Å; W1994-Y2003 HydrophobicContact CB-CD2 4.24Å; W1994-Y2003 PolarHBondContact O-N 2.89Å; W1994-L2005 HydrophobicContact CD2-CD2 3.97Å; W1994-L2005 HydrophobicContact CE3-CD2 3.8Å; W1994-L2005 HydrophobicContact CG-CD2 4.43Å; W1994-L2005 HydrophobicContact CZ3-CD2 4.16Å; W1994-I2008 HydrophobicContact CE3-CD1 3.37Å; W1994-I2008 HydrophobicContact CZ3-CB 4.33Å; W1994-I2008 HydrophobicContact CZ3-CD1 3.61Å; W1994-I2008 HydrophobicContact CZ3-CG2 3.7Å | ||
| 1995 | F | 76.8 | Confident | 63.8 | Low | 57 Ų | 57 | 66.9 Ų | 66.9 | 25% | 0.25 | 35% | 0.354 | C | S | . | . | B | Isolated β-bridge | trans | -114.5 | 148.1 | -171 | -60 | -72.2 | 0 | 0 | 0 | 112.9 | T1993 R2000 Y2003 | T1993-F1995 WeakPolarHBondContact O-CE2 3.25Å; T1993-F1995 WeakPolarHBondContact OG1-CZ 3.26Å; F1995-R2000 WeakPolarHBondContact CD1-O 3.18Å; F1995-Y2003 VanDerWaalsContact C-CE2 3.49Å; F1995-Y2003 WeakPolarHBondContact O-CE2 3.13Å |
| 1996 | C | 74.2 | Confident | 64.1 | Low | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 38% | 0.377 | C | S | . | . | trans | -66.7 | 128.6 | 165.4 | 176.1 | 0 | 0 | 0 | 0 | 110.2 | C1968 C1971 M1973 R1998 R2000 N2001 Y2003 | C1968-C1996 HydrophobicContact CB-CB 4.08Å; C1968-C1996 VanDerWaalsContact SG-CB 3.57Å; C1971-C1996 PolarHBondContact SG-SG 2.77Å; M1973-C1996 WeakPolarHBondContact CE-SG 3.26Å; C1996-R1998 PolarHBondContact O-N 3.35Å; C1996-R2000 WeakPolarHBondContact O-CA 3.47Å; C1996-R2000 PolarHBondContact O-N 2.63Å; C1996-N2001 PolarHBondContact N-O 3.34Å; C1996-Y2003 HydrophobicContact CB-CE1 4.19Å; C1996-Y2003 HydrophobicContact CB-CE2 4.36Å | ||
| 1997 | P | 69.4 | Low | 64.6 | Low | 58 Ų | 58 | 71.9 Ų | 71.9 | 38% | 0.377 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -21.4 | -176.9 | 23.7 | -31.4 | 0 | 0 | 0 | 113.6 | M1973 | M1973-P1997 HydrophobicContact CE-CG 3.48Å; M1973-P1997 VanDerWaalsContact CE-CG 3.48Å |
| 1998 | R | 69.1 | Low | 66.2 | Low | 98 Ų | 98 | 68 Ų | 68 | 37% | 0.37 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -63.2 | 176 | -173.9 | -173.9 | -89.5 | -165.5 | -8.2 | 112.2 | E1606 M1973 C1996 | E1606-R1998 IonicContact OE1-CZ 3.3Å; E1606-R1998 IonicContact OE1-NH2 3.62Å; E1606-R1998 PolarHBondContact OE1-NH2 3.21Å; E1606-R1998 IonicContact OE2-NH2 3.83Å; M1973-R1998 HydrophobicContact CE-CB 4.01Å; M1973-R1998 HydrophobicContact SD-CB 3.62Å; C1996-R1998 PolarHBondContact O-N 3.35Å |
| 1999 | C | 64.9 | Low | 67.9 | Low | 49 Ų | 49 | 70.5 Ų | 70.5 | 33% | 0.331 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -1.9 | -173 | 67.7 | 0 | 0 | 0 | 0 | 115.7 | C1968 C1971 N2001 | C1968-C1999 PolarHBondContact SG-SG 2.99Å; C1971-C1999 HydrophobicContact CB-CB 3.72Å; C1971-C1999 PolarHBondContact SG-SG 2.91Å; C1999-N2001 PolarHBondContact O-N 3Å; C1999-N2001 WeakPolarHBondContact SG-CB 3.44Å |
| 2000 | R | 75.2 | Confident | 69.4 | Low | 134 Ų | 134 | 69 Ų | 69 | 51% | 0.506 | 34% | 0.338 | S | S | . | . | trans | 55.8 | 16.4 | -175 | -60.1 | -69.1 | -170.6 | -179 | -4 | 114.8 | E1984 F1995 C1996 | E1984-R2000 IonicContact OE1-NH1 2.88Å; E1984-R2000 IonicContact OE1-NH2 2.81Å; E1984-R2000 IonicContact OE2-NH1 2.81Å; E1984-R2000 PolarHBondContact OE2-NH1 3.16Å; F1995-R2000 WeakPolarHBondContact CD1-O 3.18Å; C1996-R2000 WeakPolarHBondContact O-CA 3.47Å; C1996-R2000 PolarHBondContact O-N 2.63Å | ||
| 2001 | N | 71.2 | Confident | 70.9 | Confident | 60 Ų | 60 | 68.7 Ų | 68.7 | 32% | 0.321 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 137.7 | 170.6 | -169 | 66.3 | 0 | 0 | 0 | 109.8 | Q1970 C1996 C1999 Y2003 | Q1970-N2001 HydrophobicContact CB-CB 3.79Å; Q1970-N2001 HydrophobicContact CG-CB 4.4Å; C1996-N2001 PolarHBondContact N-O 3.34Å; C1999-N2001 PolarHBondContact O-N 3Å; C1999-N2001 WeakPolarHBondContact SG-CB 3.44Å; N2001-Y2003 PolarHBondContact O-N 3.05Å |
| 2002 | S | 71.3 | Confident | 72.6 | Confident | 45 Ų | 45 | 63.7 Ų | 63.7 | 32% | 0.315 | 31% | 0.309 | S | S | . | . | B | Isolated β-bridge | trans | -63.5 | 134.7 | 174.1 | -168.6 | 0 | 0 | 0 | 0 | 109.5 | W1994 | W1994-S2002 CarbonylContact O-C 3.45Å; W1994-S2002 WeakPolarHBondContact O-CA 3.14Å |
| 2003 | Y | 75.7 | Confident | 73.9 | Confident | 7 Ų | 7 | 63 Ų | 63 | 3% | 0.027 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -70 | 142.5 | 161.4 | -63.8 | -61 | 0 | 0 | 0 | 108.6 | F1966 C1968 R1975 L1977 W1994 F1995 C1996 N2001 L2005 | F1966-Y2003 AromaticContact CD1-CD1 3.65Å; F1966-Y2003 HydrophobicContact CD1-CD1 3.65Å; F1966-Y2003 AromaticContact CD1-CE1 3.67Å; F1966-Y2003 HydrophobicContact CD1-CE1 3.67Å; F1966-Y2003 HydrophobicContact CD1-CG 4.3Å; F1966-Y2003 AromaticContact CE1-CD1 3.4Å; F1966-Y2003 HydrophobicContact CE1-CD1 3.4Å; F1966-Y2003 VanDerWaalsContact CE1-CD1 3.4Å; F1966-Y2003 AromaticContact CE1-CE1 3.94Å; F1966-Y2003 HydrophobicContact CE1-CE1 3.94Å; F1966-Y2003 AromaticContact CE1-CG 3.92Å; F1966-Y2003 HydrophobicContact CE1-CG 3.92Å; C1968-Y2003 HydrophobicContact CB-CE1 4.02Å; R1975-Y2003 PolarHBondContact NE-OH 3.44Å; L1977-Y2003 HydrophobicContact CD2-CE2 4.27Å; W1994-Y2003 HydrophobicContact CB-CD2 4.24Å; W1994-Y2003 PolarHBondContact O-N 2.89Å; F1995-Y2003 VanDerWaalsContact C-CE2 3.49Å; F1995-Y2003 WeakPolarHBondContact O-CE2 3.13Å; C1996-Y2003 HydrophobicContact CB-CE1 4.19Å; C1996-Y2003 HydrophobicContact CB-CE2 4.36Å; N2001-Y2003 PolarHBondContact O-N 3.05Å; Y2003-L2005 PolarHBondContact O-N 3.23Å |
| 2004 | A | 69.5 | Low | 74.4 | Confident | 31 Ų | 31 | 62.7 Ų | 62.7 | 26% | 0.256 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 120.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | E2006 D2007 I2008 | A2004-E2006 PolarHBondContact O-N 3.08Å; A2004-D2007 HydrophobicContact CB-CB 4.38Å; A2004-D2007 PolarHBondContact O-N 3.26Å; A2004-I2008 PolarHBondContact O-N 3.47Å |
| 2005 | L | 75.7 | Confident | 74.3 | Confident | 59 Ų | 59 | 61.4 Ų | 61.4 | 31% | 0.309 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.7 | -31.5 | -176.3 | -69.6 | 173 | 0 | 0 | 0 | 110.7 | W1994 Y2003 D2007 I2008 E2009 | W1994-L2005 HydrophobicContact CD2-CD2 3.97Å; W1994-L2005 HydrophobicContact CE3-CD2 3.8Å; W1994-L2005 HydrophobicContact CG-CD2 4.43Å; W1994-L2005 HydrophobicContact CZ3-CD2 4.16Å; Y2003-L2005 PolarHBondContact O-N 3.23Å; L2005-D2007 VanDerWaalsContact C-N 3.31Å; L2005-D2007 PolarHBondContact O-N 3.02Å; L2005-I2008 PolarHBondContact O-N 3.36Å; L2005-I2008 VanDerWaalsContact O-N 3.07Å; L2005-E2009 WeakPolarHBondContact O-CG 3.36Å; L2005-E2009 PolarHBondContact O-N 2.77Å |
| 2006 | E | 74.4 | Confident | 74.4 | Confident | 131 Ų | 131 | 61 Ų | 61 | 61% | 0.612 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -60.8 | -39.8 | 177.3 | -56.3 | 79.1 | -173.3 | 0 | 0 | 111.6 | A2004 I2008 E2009 F2010 | A2004-E2006 PolarHBondContact O-N 3.08Å; E2006-I2008 VanDerWaalsContact C-N 3.3Å; E2006-I2008 PolarHBondContact O-N 3.31Å; E2006-E2009 PolarHBondContact O-N 2.89Å; E2006-F2010 VanDerWaalsContact O-CB 3.31Å; E2006-F2010 WeakPolarHBondContact O-CB 3.22Å; E2006-F2010 PolarHBondContact O-N 2.66Å |
| 2007 | D | 71.3 | Confident | 74.4 | Confident | 57 Ų | 57 | 65 Ų | 65 | 31% | 0.305 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66 | -35.9 | 176.4 | -68.4 | -20 | 0 | 0 | 0 | 111.4 | F1966 K1969 A2004 L2005 R2011 | F1966-D2007 HydrophobicContact CE2-CB 4.49Å; F1966-D2007 HydrophobicContact CZ-CB 4.05Å; K1969-D2007 WeakPolarHBondContact CE-OD2 3.48Å; K1969-D2007 IonicContact NZ-OD1 3.78Å; K1969-D2007 IonicContact NZ-OD2 3.79Å; K1969-D2007 PolarHBondContact NZ-OD2 3.28Å; A2004-D2007 HydrophobicContact CB-CB 4.38Å; A2004-D2007 PolarHBondContact O-N 3.26Å; L2005-D2007 VanDerWaalsContact C-N 3.31Å; L2005-D2007 PolarHBondContact O-N 3.02Å; D2007-R2011 WeakPolarHBondContact O-CB 3.26Å; D2007-R2011 WeakPolarHBondContact O-CG 3.17Å; D2007-R2011 PolarHBondContact O-N 3.15Å |
| 2008 | I | 79.7 | Confident | 74.3 | Confident | 2 Ų | 2 | 63.1 Ų | 63.1 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -74 | -43.9 | 179.4 | -62.3 | 173.6 | 0 | 0 | 0 | 110.2 | L1963 F1966 L1977 W1994 A2004 L2005 E2006 F2010 R2011 L2012 | L1963-I2008 HydrophobicContact CD1-CG2 3.55Å; F1966-I2008 HydrophobicContact CD2-CG1 4.37Å; F1966-I2008 HydrophobicContact CE1-CD1 4.39Å; F1966-I2008 HydrophobicContact CE1-CG1 4.13Å; F1966-I2008 HydrophobicContact CE2-CB 4.48Å; F1966-I2008 HydrophobicContact CE2-CD1 4.46Å; F1966-I2008 HydrophobicContact CE2-CG1 3.49Å; F1966-I2008 VanDerWaalsContact CE2-CG1 3.49Å; F1966-I2008 HydrophobicContact CZ-CD1 4.06Å; F1966-I2008 HydrophobicContact CZ-CG1 3.34Å; L1977-I2008 HydrophobicContact CD1-CD1 4.22Å; W1994-I2008 HydrophobicContact CE3-CD1 3.37Å; W1994-I2008 HydrophobicContact CZ3-CB 4.33Å; W1994-I2008 HydrophobicContact CZ3-CD1 3.61Å; W1994-I2008 HydrophobicContact CZ3-CG2 3.7Å; A2004-I2008 PolarHBondContact O-N 3.47Å; L2005-I2008 PolarHBondContact O-N 3.36Å; L2005-I2008 VanDerWaalsContact O-N 3.07Å; E2006-I2008 VanDerWaalsContact C-N 3.3Å; E2006-I2008 PolarHBondContact O-N 3.31Å; I2008-F2010 VanDerWaalsContact C-N 3.34Å; I2008-F2010 PolarHBondContact O-N 3.11Å; I2008-R2011 PolarHBondContact O-N 3.29Å; I2008-L2012 HydrophobicContact CG2-CD1 3.95Å; I2008-L2012 HydrophobicContact CG2-CG 4.38Å; I2008-L2012 WeakPolarHBondContact O-CB 3.48Å; I2008-L2012 WeakPolarHBondContact O-CG 2.95Å; I2008-L2012 PolarHBondContact O-N 3.36Å |
| 2009 | E | 80.9 | Confident | 74.4 | Confident | 125 Ų | 125 | 60 Ų | 60 | 58% | 0.584 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -57.3 | -48 | 173.4 | -73.3 | 179.4 | 177.4 | 0 | 0 | 111 | L2005 E2006 R2011 L2012 V2013 | L2005-E2009 WeakPolarHBondContact O-CG 3.36Å; L2005-E2009 PolarHBondContact O-N 2.77Å; E2006-E2009 PolarHBondContact O-N 2.89Å; E2009-R2011 PolarHBondContact O-N 3.32Å; E2009-L2012 WeakPolarHBondContact O-CB 3.13Å; E2009-L2012 PolarHBondContact O-N 3.35Å; E2009-V2013 WeakPolarHBondContact O-CG2 3.36Å; E2009-V2013 PolarHBondContact O-N 2.8Å |
| 2010 | F | 76.6 | Confident | 74.7 | Confident | 102 Ų | 102 | 59.5 Ų | 59.5 | 45% | 0.447 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.6 | -46.1 | 176.7 | -177.7 | -99.2 | 0 | 0 | 0 | 112 | E2006 I2008 L2012 V2013 Q2014 | E2006-F2010 VanDerWaalsContact O-CB 3.31Å; E2006-F2010 WeakPolarHBondContact O-CB 3.22Å; E2006-F2010 PolarHBondContact O-N 2.66Å; I2008-F2010 VanDerWaalsContact C-N 3.34Å; I2008-F2010 PolarHBondContact O-N 3.11Å; F2010-L2012 VanDerWaalsContact C-N 3.34Å; F2010-L2012 PolarHBondContact O-N 3.46Å; F2010-V2013 PolarHBondContact O-N 3.06Å; F2010-Q2014 HydrophobicContact CD1-CG 4.42Å; F2010-Q2014 HydrophobicContact CE1-CG 4.02Å; F2010-Q2014 HydrophobicContact CZ-CG 4.18Å; F2010-Q2014 PolarHBondContact O-N 2.89Å |
| 2011 | R | 75.8 | Confident | 74.3 | Confident | 83 Ų | 83 | 60 Ų | 60 | 31% | 0.313 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.6 | -36.8 | 175.8 | -79.3 | -163.5 | -176.5 | -161.1 | 0.9 | 112.8 | L1963 P1964 N1965 D2007 I2008 E2009 Q2014 H2015 | L1963-R2011 HydrophobicContact CD2-CB 4.45Å; P1964-R2011 PolarHBondContact O-NH1 2.87Å; P1964-R2011 VanDerWaalsContact O-NH1 3.12Å; N1965-R2011 PolarHBondContact O-NH1 3.21Å; D2007-R2011 WeakPolarHBondContact O-CB 3.26Å; D2007-R2011 WeakPolarHBondContact O-CG 3.17Å; D2007-R2011 PolarHBondContact O-N 3.15Å; I2008-R2011 PolarHBondContact O-N 3.29Å; E2009-R2011 PolarHBondContact O-N 3.32Å; R2011-Q2014 PolarHBondContact O-N 2.86Å; R2011-H2015 VanDerWaalsContact O-CB 3.26Å; R2011-H2015 WeakPolarHBondContact O-CB 3.32Å; R2011-H2015 PolarHBondContact O-N 2.88Å |
| 2012 | L | 81.5 | Confident | 74.1 | Confident | 22 Ų | 22 | 59.5 Ų | 59.5 | 12% | 0.115 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 176.3 | -81.3 | 166.5 | 0 | 0 | 0 | 111.8 | L1961 L1963 L1979 I2008 E2009 F2010 H2015 L2016 Y2067 I2070 | L1961-L2012 HydrophobicContact CD2-CD2 3.8Å; L1963-L2012 HydrophobicContact CD1-CD2 4.39Å; L1963-L2012 HydrophobicContact CD1-CG 4.19Å; L1963-L2012 HydrophobicContact CD2-CD2 3.95Å; L1963-L2012 HydrophobicContact CD2-CG 4.25Å; L1963-L2012 HydrophobicContact CG-CD2 4.44Å; L1979-L2012 HydrophobicContact CD1-CD1 3.92Å; L1979-L2012 HydrophobicContact CD1-CD2 3.63Å; L1979-L2012 HydrophobicContact CD1-CG 4.17Å; I2008-L2012 HydrophobicContact CG2-CD1 3.95Å; I2008-L2012 HydrophobicContact CG2-CG 4.38Å; I2008-L2012 WeakPolarHBondContact O-CB 3.48Å; I2008-L2012 WeakPolarHBondContact O-CG 2.95Å; I2008-L2012 PolarHBondContact O-N 3.36Å; E2009-L2012 WeakPolarHBondContact O-CB 3.13Å; E2009-L2012 PolarHBondContact O-N 3.35Å; F2010-L2012 VanDerWaalsContact C-N 3.34Å; F2010-L2012 PolarHBondContact O-N 3.46Å; L2012-H2015 PolarHBondContact O-N 3.07Å; L2012-L2016 WeakPolarHBondContact O-CB 3.47Å; L2012-L2016 PolarHBondContact O-N 3.3Å; L2012-Y2067 HydrophobicContact CD2-CD1 4.34Å; L2012-Y2067 HydrophobicContact CD2-CE1 4.12Å; L2012-I2070 HydrophobicContact CD1-CG2 3.94Å |
| 2013 | V | 80.5 | Confident | 74.2 | Confident | 84 Ų | 84 | 60.5 Ų | 60.5 | 51% | 0.509 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 175.7 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | E2009 F2010 L2016 N2017 | E2009-V2013 WeakPolarHBondContact O-CG2 3.36Å; E2009-V2013 PolarHBondContact O-N 2.8Å; F2010-V2013 PolarHBondContact O-N 3.06Å; V2013-L2016 PolarHBondContact O-N 3.49Å; V2013-N2017 WeakPolarHBondContact O-CB 3.28Å; V2013-N2017 PolarHBondContact O-N 3.43Å; V2013-N2017 PolarHBondContact O-ND2 3.15Å |
| 2014 | Q | 72.7 | Confident | 74 | Confident | 53 Ų | 53 | 68.3 Ų | 68.3 | 25% | 0.248 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.4 | -47.2 | 174.2 | -79.4 | -173.6 | -46.5 | 0 | 0 | 112.3 | F2010 R2011 L2016 N2017 N2018 | F2010-Q2014 HydrophobicContact CD1-CG 4.42Å; F2010-Q2014 HydrophobicContact CE1-CG 4.02Å; F2010-Q2014 HydrophobicContact CZ-CG 4.18Å; F2010-Q2014 PolarHBondContact O-N 2.89Å; R2011-Q2014 PolarHBondContact O-N 2.86Å; Q2014-L2016 VanDerWaalsContact C-N 3.31Å; Q2014-L2016 PolarHBondContact O-N 2.78Å; Q2014-N2017 PolarHBondContact O-N 3.38Å; Q2014-N2018 WeakPolarHBondContact O-CB 3.45Å; Q2014-N2018 PolarHBondContact O-N 3.44Å |
| 2015 | H | 74.6 | Confident | 73.9 | Confident | 33 Ų | 33 | 71.1 Ų | 71.1 | 15% | 0.153 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.4 | -38.2 | 179.3 | -171.9 | -108.5 | 0 | 0 | 0 | 111.1 | D1585 R2011 L2012 F2019 Y2067 | D1585-H2015 IonicContact OD1-CD2 3.93Å; D1585-H2015 IonicContact OD1-NE2 2.74Å; D1585-H2015 IonicContact OD2-CD2 3.91Å; D1585-H2015 PolarHBondContact OD2-CD2 3.12Å; D1585-H2015 IonicContact OD2-NE2 3.42Å; D1585-H2015 PolarHBondContact OD2-NE2 2.95Å; D1585-H2015 VanDerWaalsContact OD2-NE2 3.08Å; R2011-H2015 VanDerWaalsContact O-CB 3.26Å; R2011-H2015 WeakPolarHBondContact O-CB 3.32Å; R2011-H2015 PolarHBondContact O-N 2.88Å; L2012-H2015 PolarHBondContact O-N 3.07Å; H2015-F2019 WeakPolarHBondContact O-CB 3.34Å; H2015-F2019 PolarHBondContact O-N 3.02Å; H2015-Y2067 PolarHBondContact CE1-OH 2.98Å; H2015-Y2067 AromaticContact ND1-CZ 3.67Å; H2015-Y2067 PolarHBondContact ND1-OH 2.77Å |
| 2016 | L | 78.7 | Confident | 73.6 | Confident | 49 Ų | 49 | 69.9 Ų | 69.9 | 26% | 0.257 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.2 | -42.6 | 173 | 179.3 | 61.5 | 0 | 0 | 0 | 113.1 | L2012 V2013 Q2014 F2019 S2020 L2064 Y2067 | L2012-L2016 WeakPolarHBondContact O-CB 3.47Å; L2012-L2016 PolarHBondContact O-N 3.3Å; V2013-L2016 PolarHBondContact O-N 3.49Å; Q2014-L2016 VanDerWaalsContact C-N 3.31Å; Q2014-L2016 PolarHBondContact O-N 2.78Å; L2016-F2019 PolarHBondContact O-N 2.84Å; L2016-S2020 WeakPolarHBondContact O-CB 3.34Å; L2016-S2020 PolarHBondContact O-N 2.82Å; L2016-S2020 PolarHBondContact O-OG 2.89Å; L2016-L2064 HydrophobicContact CD1-CD2 3.37Å; L2016-Y2067 HydrophobicContact CB-CD1 4.25Å; L2016-Y2067 HydrophobicContact CB-CE1 3.86Å; L2016-Y2067 HydrophobicContact CD1-CD1 4.44Å; L2016-Y2067 HydrophobicContact CD1-CD2 3.95Å; L2016-Y2067 HydrophobicContact CD1-CE1 4.45Å; L2016-Y2067 HydrophobicContact CD1-CE2 3.97Å; L2016-Y2067 HydrophobicContact CD1-CG 4.17Å; L2016-Y2067 PolarHBondContact N-OH 2.61Å |
| 2017 | N | 72.7 | Confident | 73.6 | Confident | 84 Ų | 84 | 67 Ų | 67 | 45% | 0.449 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 177.6 | -79.6 | -24 | 0 | 0 | 0 | 111.5 | V2013 Q2014 S2020 R2021 | V2013-N2017 WeakPolarHBondContact O-CB 3.28Å; V2013-N2017 PolarHBondContact O-N 3.43Å; V2013-N2017 PolarHBondContact O-ND2 3.15Å; Q2014-N2017 PolarHBondContact O-N 3.38Å; N2017-S2020 PolarHBondContact O-N 3.07Å; N2017-R2021 WeakPolarHBondContact O-CG 3.37Å; N2017-R2021 PolarHBondContact O-N 2.81Å |
| 2018 | N | 68.4 | Low | 74 | Confident | 18 Ų | 18 | 67.1 Ų | 67.1 | 10% | 0.096 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.7 | -46.7 | 176 | -69.6 | -9 | 0 | 0 | 0 | 111 | Q2014 S2020 R2021 L2022 | Q2014-N2018 WeakPolarHBondContact O-CB 3.45Å; Q2014-N2018 PolarHBondContact O-N 3.44Å; N2018-S2020 VanDerWaalsContact C-N 3.27Å; N2018-S2020 PolarHBondContact O-N 2.82Å; N2018-R2021 PolarHBondContact O-N 2.79Å; N2018-R2021 VanDerWaalsContact O-N 3.16Å; N2018-L2022 WeakPolarHBondContact O-CG 3.33Å; N2018-L2022 PolarHBondContact O-N 2.83Å |
| 2019 | F | 71.2 | Confident | 74.1 | Confident | 32 Ų | 32 | 67.5 Ų | 67.5 | 14% | 0.14 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.7 | -39.8 | 175.5 | -176.4 | -110.4 | 0 | 0 | 0 | 112.6 | H2015 L2016 Y2023 V2060 N2063 | H2015-F2019 WeakPolarHBondContact O-CB 3.34Å; H2015-F2019 PolarHBondContact O-N 3.02Å; L2016-F2019 PolarHBondContact O-N 2.84Å; F2019-Y2023 PolarHBondContact O-N 2.94Å; F2019-V2060 HydrophobicContact CE1-CB 4.14Å; F2019-V2060 HydrophobicContact CE1-CG1 3.76Å; F2019-V2060 HydrophobicContact CE1-CG2 4.11Å; F2019-V2060 HydrophobicContact CZ-CB 4.22Å; F2019-V2060 HydrophobicContact CZ-CG1 4.32Å; F2019-V2060 HydrophobicContact CZ-CG2 3.81Å; F2019-N2063 HydrophobicContact CE1-CB 3.81Å; F2019-N2063 WeakPolarHBondContact CE2-ND2 3.4Å; F2019-N2063 HydrophobicContact CZ-CB 3.84Å; F2019-N2063 WeakPolarHBondContact CZ-ND2 3.45Å |
| 2020 | S | 70.7 | Confident | 74.1 | Confident | 38 Ų | 38 | 61.6 Ų | 61.6 | 27% | 0.266 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.1 | -46.2 | 176.2 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | L2016 N2017 N2018 L2022 Y2023 F2024 | L2016-S2020 WeakPolarHBondContact O-CB 3.34Å; L2016-S2020 PolarHBondContact O-N 2.82Å; L2016-S2020 PolarHBondContact O-OG 2.89Å; N2017-S2020 PolarHBondContact O-N 3.07Å; N2018-S2020 VanDerWaalsContact C-N 3.27Å; N2018-S2020 PolarHBondContact O-N 2.82Å; S2020-L2022 PolarHBondContact O-N 3.2Å; S2020-Y2023 PolarHBondContact O-N 3.39Å; S2020-F2024 WeakPolarHBondContact O-CD2 3.47Å; S2020-F2024 PolarHBondContact O-N 3.47Å |
| 2021 | R | 67.5 | Low | 74.3 | Confident | 145 Ų | 145 | 60.5 Ų | 60.5 | 55% | 0.547 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.2 | -47.6 | 176.5 | -75.3 | 173.8 | 177.1 | 170.7 | -4.1 | 111.8 | N2017 N2018 Y2023 F2024 S2025 | N2017-R2021 WeakPolarHBondContact O-CG 3.37Å; N2017-R2021 PolarHBondContact O-N 2.81Å; N2018-R2021 PolarHBondContact O-N 2.79Å; N2018-R2021 VanDerWaalsContact O-N 3.16Å; R2021-Y2023 VanDerWaalsContact C-N 3.26Å; R2021-Y2023 PolarHBondContact O-N 3.08Å; R2021-F2024 PolarHBondContact O-N 3.04Å; R2021-S2025 PolarHBondContact O-N 3.3Å; R2021-S2025 PolarHBondContact O-OG 3.18Å; R2021-S2025 VanDerWaalsContact O-OG 3.06Å |
| 2022 | L | 67 | Low | 74.5 | Confident | 49 Ų | 49 | 60 Ų | 60 | 26% | 0.257 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -56.9 | -38 | 176.8 | -71.6 | 162.6 | 0 | 0 | 0 | 113 | D1583 N2018 S2020 F2024 Q2026 L2055 | D1583-L2022 WeakPolarHBondContact OD1-CD1 3.38Å; N2018-L2022 WeakPolarHBondContact O-CG 3.33Å; N2018-L2022 PolarHBondContact O-N 2.83Å; S2020-L2022 PolarHBondContact O-N 3.2Å; L2022-F2024 VanDerWaalsContact C-N 3.35Å; L2022-Q2026 WeakPolarHBondContact O-CB 3.35Å; L2022-Q2026 PolarHBondContact O-N 3.18Å; L2022-L2055 HydrophobicContact CB-CD1 4.36Å |
| 2023 | Y | 72.1 | Confident | 74.4 | Confident | 67 Ų | 67 | 60.4 Ų | 60.4 | 26% | 0.263 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.6 | -33.9 | 176.5 | 179.4 | -107.9 | 0 | 0 | 0 | 112.5 | F2019 S2020 R2021 Q2026 L2055 G2057 V2060 | F2019-Y2023 PolarHBondContact O-N 2.94Å; S2020-Y2023 PolarHBondContact O-N 3.39Å; R2021-Y2023 VanDerWaalsContact C-N 3.26Å; R2021-Y2023 PolarHBondContact O-N 3.08Å; Y2023-Q2026 VanDerWaalsContact CE2-NE2 3.29Å; Y2023-Q2026 VanDerWaalsContact O-CG 3.32Å; Y2023-Q2026 WeakPolarHBondContact O-CG 3.39Å; Y2023-Q2026 PolarHBondContact O-NE2 3.36Å; Y2023-L2055 HydrophobicContact CD2-CB 4.2Å; Y2023-L2055 WeakPolarHBondContact CE2-O 3.46Å; Y2023-G2057 WeakPolarHBondContact OH-CA 3.33Å; Y2023-V2060 HydrophobicContact CD2-CB 4.24Å; Y2023-V2060 HydrophobicContact CD2-CG2 3.3Å; Y2023-V2060 HydrophobicContact CE2-CB 4.38Å; Y2023-V2060 HydrophobicContact CE2-CG2 3.75Å; Y2023-V2060 HydrophobicContact CG-CG1 4.31Å; Y2023-V2060 HydrophobicContact CG-CG2 3.8Å |
| 2024 | F | 73.2 | Confident | 74.2 | Confident | 171 Ų | 171 | 57.7 Ų | 57.7 | 75% | 0.75 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -82.2 | -28.6 | 178.3 | -67.5 | -63.1 | 0 | 0 | 0 | 113.4 | S2020 R2021 L2022 | S2020-F2024 WeakPolarHBondContact O-CD2 3.47Å; S2020-F2024 PolarHBondContact O-N 3.47Å; R2021-F2024 PolarHBondContact O-N 3.04Å; L2022-F2024 VanDerWaalsContact C-N 3.35Å |
| 2025 | S | 66.5 | Low | 74.2 | Confident | 90 Ų | 90 | 60.4 Ų | 60.4 | 63% | 0.629 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -97.3 | 9.7 | -178.5 | 68.6 | 0 | 0 | 0 | 0 | 114.3 | R2021 | R2021-S2025 PolarHBondContact O-N 3.3Å; R2021-S2025 PolarHBondContact O-OG 3.18Å; R2021-S2025 VanDerWaalsContact O-OG 3.06Å |
| 2026 | Q | 69.1 | Low | 74.2 | Confident | 33 Ų | 33 | 61.1 Ų | 61.1 | 15% | 0.154 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 150.2 | -176.8 | 64.6 | -180 | -60.2 | 0 | 0 | 113.6 | L2022 Y2023 L2055 | L2022-Q2026 WeakPolarHBondContact O-CB 3.35Å; L2022-Q2026 PolarHBondContact O-N 3.18Å; Y2023-Q2026 VanDerWaalsContact CE2-NE2 3.29Å; Y2023-Q2026 VanDerWaalsContact O-CG 3.32Å; Y2023-Q2026 WeakPolarHBondContact O-CG 3.39Å; Y2023-Q2026 PolarHBondContact O-NE2 3.36Å; Q2026-L2055 PolarHBondContact NE2-O 3.41Å; Q2026-L2055 PolarHBondContact OE1-O 2.77Å |
| 2027 | D | 74.6 | Confident | 74.1 | Confident | 70 Ų | 70 | 61.5 Ų | 61.5 | 37% | 0.374 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -71 | 154.6 | 170.2 | -71 | -29.4 | 0 | 0 | 0 | 112.7 | Q1647 V2036 T2054 | Q1647-D2027 PolarHBondContact NE2-OD2 2.87Å; D2027-V2036 HydrophobicContact CB-CG1 3.85Å; D2027-T2054 PolarHBondContact O-N 3.12Å; D2027-T2054 PolarHBondContact O-OG1 2.75Å |
| 2028 | L | 80.1 | Confident | 74 | Confident | 59 Ų | 59 | 66.1 Ų | 66.1 | 31% | 0.309 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 129.4 | 169.9 | -62.6 | 177.4 | 0 | 0 | 0 | 109.4 | K2037 L2051 K2052 | L2028-K2037 HydrophobicContact CB-CB 4.07Å; L2028-K2037 HydrophobicContact CB-CD 4.19Å; L2028-K2037 HydrophobicContact CD1-CD 3.95Å; L2028-K2037 VanDerWaalsContact O-CB 3.29Å; L2028-K2037 WeakPolarHBondContact O-CB 3.49Å; L2028-K2037 PolarHBondContact O-N 3.41Å; L2028-L2051 HydrophobicContact CB-CB 4.36Å; L2028-K2052 CarbonylContact C-O 3.59Å; L2028-K2052 WeakPolarHBondContact CA-O 3.3Å |
| 2029 | I | 81.9 | Confident | 74.1 | Confident | 11 Ų | 11 | 70.5 Ų | 70.5 | 6% | 0.056 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 144.5 | 178 | 56.4 | 171.5 | 0 | 0 | 0 | 110.9 | I1643 E2035 V2036 L2051 K2052 | I1643-I2029 HydrophobicContact CD1-CG2 4.39Å; I1643-I2029 HydrophobicContact CG2-CG2 4.34Å; I2029-E2035 CarbonylContact C-O 3.59Å; I2029-E2035 WeakPolarHBondContact CA-O 3.5Å; I2029-V2036 HydrophobicContact CG2-CG2 4.04Å; I2029-L2051 CarbonylContact O-C 3.52Å; I2029-L2051 WeakPolarHBondContact O-CA 3.21Å; I2029-K2052 HydrophobicContact CD1-CG 4.47Å; I2029-K2052 HydrophobicContact CG1-CD 4.43Å; I2029-K2052 HydrophobicContact CG1-CG 3.84Å; I2029-K2052 PolarHBondContact N-O 3.23Å; I2029-K2052 WeakPolarHBondContact O-CG 3.32Å; I2029-K2052 PolarHBondContact O-N 3.28Å |
| 2030 | C | 80.7 | Confident | 74.2 | Confident | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 134.6 | 174.6 | -175.5 | 0 | 0 | 0 | 0 | 111.4 | A2032 C2033 D2034 E2035 C2045 C2047 G2049 L2051 | C2030-A2032 VanDerWaalsContact C-N 3.26Å; C2030-A2032 PolarHBondContact O-N 3.23Å; C2030-A2032 PolarHBondContact SG-N 2.93Å; C2030-C2033 WeakPolarHBondContact CB-SG 3.35Å; C2030-C2033 VanDerWaalsContact SG-SG 3.62Å; C2030-D2034 WeakPolarHBondContact O-CA 3.45Å; C2030-D2034 PolarHBondContact O-N 2.82Å; C2030-D2034 VanDerWaalsContact O-N 3.07Å; C2030-E2035 PolarHBondContact N-O 2.99Å; C2030-C2045 HydrophobicContact CB-CB 3.6Å; C2030-C2045 WeakPolarHBondContact SG-CB 3.31Å; C2030-C2047 PolarHBondContact SG-SG 3.23Å; C2030-G2049 WeakPolarHBondContact SG-CA 3.47Å; C2030-L2051 HydrophobicContact CB-CD2 4.15Å |
| 2031 | V | 81.5 | Confident | 74.4 | Confident | 80 Ų | 80 | 84.6 Ų | 84.6 | 49% | 0.485 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -28.5 | 175.8 | 176.9 | 0 | 0 | 0 | 0 | 112.4 | R2050 K2052 | V2031-R2050 WeakPolarHBondContact CB-O 3.26Å; V2031-R2050 WeakPolarHBondContact CG2-O 3.49Å; V2031-R2050 PolarHBondContact N-O 2.79Å; V2031-K2052 HydrophobicContact CG2-CB 4.11Å; V2031-K2052 HydrophobicContact CG2-CD 3.8Å; V2031-K2052 HydrophobicContact CG2-CG 3.83Å |
| 2032 | A | 79.6 | Confident | 74.8 | Confident | 72 Ų | 72 | 81 Ų | 81 | 60% | 0.595 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -51.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | C2030 | C2030-A2032 VanDerWaalsContact C-N 3.26Å; C2030-A2032 PolarHBondContact O-N 3.23Å; C2030-A2032 PolarHBondContact SG-N 2.93Å |
| 2033 | C | 79.3 | Confident | 75.4 | Confident | 30 Ų | 30 | 87.7 Ų | 87.7 | 20% | 0.203 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -9.1 | -180 | 62.8 | 0 | 0 | 0 | 0 | 114.1 | C2030 E2035 C2045 C2047 | C2030-C2033 WeakPolarHBondContact CB-SG 3.35Å; C2030-C2033 VanDerWaalsContact SG-SG 3.62Å; C2033-E2035 HydrophobicContact CB-CG 4.14Å; C2033-E2035 PolarHBondContact O-N 3.4Å; C2033-E2035 VanDerWaalsContact SG-CB 3.55Å; C2033-E2035 PolarHBondContact SG-N 3.09Å; C2033-E2035 VanDerWaalsContact SG-N 3.43Å; C2033-C2045 PolarHBondContact SG-SG 2.8Å; C2033-C2047 HydrophobicContact CB-CB 4.37Å; C2033-C2047 VanDerWaalsContact SG-SG 3.62Å |
| 2034 | D | 75.9 | Confident | 75.8 | Confident | 27 Ų | 27 | 88 Ų | 88 | 14% | 0.144 | 45% | 0.454 | C | S | . | . | trans | 59.5 | 7.2 | -169 | -78.8 | -33.8 | 0 | 0 | 0 | 114.1 | K1639 K1640 I1643 C2030 | K1639-D2034 HydrophobicContact CB-CB 4.47Å; K1640-D2034 WeakPolarHBondContact CG-OD2 3.42Å; I1643-D2034 HydrophobicContact CD1-CB 4.14Å; I1643-D2034 WeakPolarHBondContact CD1-O 3.35Å; C2030-D2034 WeakPolarHBondContact O-CA 3.45Å; C2030-D2034 PolarHBondContact O-N 2.82Å; C2030-D2034 VanDerWaalsContact O-N 3.07Å | ||
| 2035 | E | 72.7 | Confident | 76.1 | Confident | 111 Ų | 111 | 80.8 Ų | 80.8 | 52% | 0.519 | 42% | 0.424 | S | S | . | . | trans | -69.7 | 148.7 | 175.8 | -62.7 | -61.7 | 155.1 | 0 | 0 | 112.5 | I2029 C2030 C2033 | I2029-E2035 CarbonylContact C-O 3.59Å; I2029-E2035 WeakPolarHBondContact CA-O 3.5Å; C2030-E2035 PolarHBondContact N-O 2.99Å; C2033-E2035 HydrophobicContact CB-CG 4.14Å; C2033-E2035 PolarHBondContact O-N 3.4Å; C2033-E2035 VanDerWaalsContact SG-CB 3.55Å; C2033-E2035 PolarHBondContact SG-N 3.09Å; C2033-E2035 VanDerWaalsContact SG-N 3.43Å | ||
| 2036 | V | 75.6 | Confident | 76.7 | Confident | 48 Ų | 48 | 82.4 Ų | 82.4 | 29% | 0.291 | 44% | 0.436 | S | S | . | . | B | Isolated β-bridge | trans | -70.4 | 142.6 | 173.5 | 179.1 | 0 | 0 | 0 | 0 | 109.4 | I1643 D2027 I2029 E2038 | I1643-V2036 HydrophobicContact CG2-CG2 3.58Å; D2027-V2036 HydrophobicContact CB-CG1 3.85Å; I2029-V2036 HydrophobicContact CG2-CG2 4.04Å; V2036-E2038 PolarHBondContact O-N 3.25Å |
| 2037 | K | 76.2 | Confident | 77.3 | Confident | 56 Ų | 56 | 84 Ų | 84 | 24% | 0.243 | 45% | 0.45 | C | S | . | . | trans | -62.4 | 107.5 | 175.5 | -177.5 | -169.8 | 178.1 | 157.2 | 0 | 109.7 | L2028 D2039 H2040 V2042 L2051 | L2028-K2037 HydrophobicContact CB-CB 4.07Å; L2028-K2037 HydrophobicContact CB-CD 4.19Å; L2028-K2037 HydrophobicContact CD1-CD 3.95Å; L2028-K2037 VanDerWaalsContact O-CB 3.29Å; L2028-K2037 WeakPolarHBondContact O-CB 3.49Å; L2028-K2037 PolarHBondContact O-N 3.41Å; K2037-D2039 WeakPolarHBondContact CE-O 3.37Å; K2037-D2039 WeakPolarHBondContact CG-O 3.38Å; K2037-H2040 VanDerWaalsContact CE-O 3.25Å; K2037-H2040 WeakPolarHBondContact CE-O 3.38Å; K2037-H2040 PolarHBondContact NZ-O 2.71Å; K2037-V2042 WeakPolarHBondContact CE-O 3.41Å; K2037-V2042 PolarHBondContact NZ-O 2.8Å; K2037-L2051 HydrophobicContact CB-CD1 4.31Å; K2037-L2051 HydrophobicContact CB-CD2 4.1Å; K2037-L2051 HydrophobicContact CD-CD1 3.75Å; K2037-L2051 HydrophobicContact CG-CD1 3.86Å; K2037-L2051 HydrophobicContact CG-CD2 4.47Å | ||
| 2038 | E | 71 | Confident | 77.6 | Confident | 182 Ų | 182 | 83.4 Ų | 83.4 | 85% | 0.85 | 46% | 0.46 | S | S | * | . | trans | -70.1 | -44.7 | 178.9 | -66.7 | -178.9 | 161.5 | 0 | 0 | 112.6 | V2036 | V2036-E2038 PolarHBondContact O-N 3.25Š| ||
| 2039 | D | 70.7 | Confident | 77.7 | Confident | 109 Ų | 109 | 81 Ų | 81 | 58% | 0.583 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -105.4 | 126.9 | -175 | -98.8 | -48 | 0 | 0 | 0 | 113.2 | K2037 F2041 V2042 | K2037-D2039 WeakPolarHBondContact CE-O 3.37Å; K2037-D2039 WeakPolarHBondContact CG-O 3.38Å; D2039-F2041 PolarHBondContact O-N 3.43Å; D2039-F2041 VanDerWaalsContact O-N 3.11Å; D2039-V2042 HydrophobicContact CB-CG2 3.66Å; D2039-V2042 PolarHBondContact O-N 3.02Å |
| 2040 | H | 72.4 | Confident | 77.9 | Confident | 171 Ų | 171 | 90.1 Ų | 90.1 | 79% | 0.792 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -31.9 | -178.4 | -68.1 | -61.7 | 0 | 0 | 0 | 114.5 | K2037 | K2037-H2040 VanDerWaalsContact CE-O 3.25Å; K2037-H2040 WeakPolarHBondContact CE-O 3.38Å; K2037-H2040 PolarHBondContact NZ-O 2.71Å |
| 2041 | F | 75 | Confident | 78 | Confident | 196 Ų | 196 | 91.4 Ų | 91.4 | 86% | 0.86 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -16.9 | -172.2 | -69.7 | -76.9 | 0 | 0 | 0 | 115.6 | D2039 | D2039-F2041 PolarHBondContact O-N 3.43Å; D2039-F2041 VanDerWaalsContact O-N 3.11Å |
| 2042 | V | 75.9 | Confident | 78.1 | Confident | 69 Ų | 69 | 90.6 Ų | 90.6 | 42% | 0.418 | 48% | 0.48 | S | S | . | . | trans | -79.7 | 129.1 | -174.1 | -163.8 | 0 | 0 | 0 | 0 | 110.3 | K2037 D2039 T2044 | K2037-V2042 WeakPolarHBondContact CE-O 3.41Å; K2037-V2042 PolarHBondContact NZ-O 2.8Å; D2039-V2042 HydrophobicContact CB-CG2 3.66Å; D2039-V2042 PolarHBondContact O-N 3.02Å; V2042-T2044 WeakPolarHBondContact CG1-O 3.18Å | ||
| 2043 | K | 78.8 | Confident | 78.1 | Confident | 189 Ų | 189 | 89.8 Ų | 89.8 | 82% | 0.822 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -81 | -18.9 | -177.5 | -69.2 | -174.9 | 179.6 | 177.8 | 0 | 113.7 | ||
| 2044 | T | 80.3 | Confident | 77.7 | Confident | 74 Ų | 74 | 90 Ų | 90 | 45% | 0.454 | 47% | 0.47 | S | S | . | . | B | Isolated β-bridge | trans | -133.8 | 149.5 | -178.7 | 47.6 | 0 | 0 | 0 | 0 | 109.2 | V2042 | V2042-T2044 WeakPolarHBondContact CG1-O 3.18Å |
| 2045 | C | 80.6 | Confident | 77.5 | Confident | 19 Ų | 19 | 90.7 Ų | 90.7 | 13% | 0.128 | 47% | 0.473 | C | S | . | . | trans | -64.4 | 159.1 | 172.5 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | C2030 C2033 C2047 G2048 G2049 L2051 | C2030-C2045 HydrophobicContact CB-CB 3.6Å; C2030-C2045 WeakPolarHBondContact SG-CB 3.31Å; C2033-C2045 PolarHBondContact SG-SG 2.8Å; C2045-C2047 PolarHBondContact O-N 2.87Å; C2045-C2047 VanDerWaalsContact O-N 3.17Å; C2045-G2048 WeakPolarHBondContact O-CA 3.41Å; C2045-G2048 PolarHBondContact O-N 2.92Å; C2045-G2049 WeakPolarHBondContact CB-O 3.34Å; C2045-G2049 PolarHBondContact N-O 2.86Å; C2045-L2051 HydrophobicContact CB-CD2 4.17Å | ||
| 2046 | S | 77.9 | Confident | 77.6 | Confident | 125 Ų | 125 | 88.1 Ų | 88.1 | 87% | 0.874 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -28.4 | 172.5 | 52.5 | 0 | 0 | 0 | 0 | 112.9 | G2048 | S2046-G2048 PolarHBondContact O-N 2.93Š|
| 2047 | C | 81.8 | Confident | 77.6 | Confident | 67 Ų | 67 | 87.3 Ų | 87.3 | 45% | 0.453 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 6 | 173.6 | 82.9 | 0 | 0 | 0 | 0 | 114.3 | C2030 C2033 C2045 G2049 | C2030-C2047 PolarHBondContact SG-SG 3.23Å; C2033-C2047 HydrophobicContact CB-CB 4.37Å; C2033-C2047 VanDerWaalsContact SG-SG 3.62Å; C2045-C2047 PolarHBondContact O-N 2.87Å; C2045-C2047 VanDerWaalsContact O-N 3.17Å; C2047-G2049 PolarHBondContact O-N 3.28Å; C2047-G2049 PolarHBondContact SG-N 3.03Å |
| 2048 | G | 81.9 | Confident | 77.5 | Confident | 57 Ų | 57 | 88.5 Ų | 88.5 | 59% | 0.588 | 48% | 0.484 | S | S | * | . | S | Bend | trans | 77.9 | -4.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | C2045 S2046 | C2045-G2048 WeakPolarHBondContact O-CA 3.41Å; C2045-G2048 PolarHBondContact O-N 2.92Å; S2046-G2048 PolarHBondContact O-N 2.93Å |
| 2049 | G | 82.2 | Confident | 77.4 | Confident | 9 Ų | 9 | 84 Ų | 84 | 9% | 0.093 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 140.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | C2030 C2045 C2047 | C2030-G2049 WeakPolarHBondContact SG-CA 3.47Å; C2045-G2049 WeakPolarHBondContact CB-O 3.34Å; C2045-G2049 PolarHBondContact N-O 2.86Å; C2047-G2049 PolarHBondContact O-N 3.28Å; C2047-G2049 PolarHBondContact SG-N 3.03Å |
| 2050 | R | 85.3 | Confident | 77.5 | Confident | 201 Ų | 201 | 79.4 Ų | 79.4 | 76% | 0.758 | 44% | 0.438 | S | S | * | . | B | Isolated β-bridge | trans | -63.7 | 140.6 | 175.9 | -169.6 | -178.5 | -77.5 | 179 | -3.9 | 110.3 | V2031 | V2031-R2050 WeakPolarHBondContact CB-O 3.26Å; V2031-R2050 WeakPolarHBondContact CG2-O 3.49Å; V2031-R2050 PolarHBondContact N-O 2.79Å |
| 2051 | L | 82.7 | Confident | 77.8 | Confident | 27 Ų | 27 | 76.8 Ų | 76.8 | 14% | 0.141 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 143.6 | 178.1 | -61.7 | 166.4 | 0 | 0 | 0 | 110.6 | L2028 I2029 C2030 K2037 C2045 | L2028-L2051 HydrophobicContact CB-CB 4.36Å; I2029-L2051 CarbonylContact O-C 3.52Å; I2029-L2051 WeakPolarHBondContact O-CA 3.21Å; C2030-L2051 HydrophobicContact CB-CD2 4.15Å; K2037-L2051 HydrophobicContact CB-CD1 4.31Å; K2037-L2051 HydrophobicContact CB-CD2 4.1Å; K2037-L2051 HydrophobicContact CD-CD1 3.75Å; K2037-L2051 HydrophobicContact CG-CD1 3.86Å; K2037-L2051 HydrophobicContact CG-CD2 4.47Å; C2045-L2051 HydrophobicContact CB-CD2 4.17Å |
| 2052 | K | 83.7 | Confident | 77.9 | Confident | 64 Ų | 64 | 70.8 Ų | 70.8 | 28% | 0.278 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 157.3 | 176.5 | 64.1 | 170.8 | 175.1 | -145.6 | 0 | 111 | L2028 I2029 V2031 | L2028-K2052 CarbonylContact C-O 3.59Å; L2028-K2052 WeakPolarHBondContact CA-O 3.3Å; I2029-K2052 HydrophobicContact CD1-CG 4.47Å; I2029-K2052 HydrophobicContact CG1-CD 4.43Å; I2029-K2052 HydrophobicContact CG1-CG 3.84Å; I2029-K2052 PolarHBondContact N-O 3.23Å; I2029-K2052 WeakPolarHBondContact O-CG 3.32Å; I2029-K2052 PolarHBondContact O-N 3.28Å; V2031-K2052 HydrophobicContact CG2-CB 4.11Å; V2031-K2052 HydrophobicContact CG2-CD 3.8Å; V2031-K2052 HydrophobicContact CG2-CG 3.83Å |
| 2053 | C | 79.7 | Confident | 77.8 | Confident | 55 Ų | 55 | 69.3 Ų | 69.3 | 37% | 0.372 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 137.4 | 168.8 | -66.5 | 0 | 0 | 0 | 0 | 111.9 | L2055 | C2053-L2055 WeakPolarHBondContact CB-O 3.49Å |
| 2054 | T | 71.7 | Confident | 78 | Confident | 35 Ų | 35 | 63.5 Ų | 63.5 | 22% | 0.215 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -64.5 | -43.2 | 174.2 | -57.3 | 0 | 0 | 0 | 0 | 112.3 | D2027 | D2027-T2054 PolarHBondContact O-N 3.12Å; D2027-T2054 PolarHBondContact O-OG1 2.75Å |
| 2055 | L | 70.9 | Confident | 77.9 | Confident | 40 Ų | 40 | 64.1 Ų | 64.1 | 21% | 0.209 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -95.6 | 109.5 | 166.6 | -70.8 | 165.3 | 0 | 0 | 0 | 109.2 | L2022 Y2023 Q2026 C2053 | L2022-L2055 HydrophobicContact CB-CD1 4.36Å; Y2023-L2055 HydrophobicContact CD2-CB 4.2Å; Y2023-L2055 WeakPolarHBondContact CE2-O 3.46Å; Q2026-L2055 PolarHBondContact NE2-O 3.41Å; Q2026-L2055 PolarHBondContact OE1-O 2.77Å; C2053-L2055 WeakPolarHBondContact CB-O 3.49Å |
| 2056 | S | 74.4 | Confident | 77.9 | Confident | 57 Ų | 57 | 63.7 Ų | 63.7 | 40% | 0.399 | 36% | 0.362 | S | S | . | . | trans | -65.6 | 136.2 | 176.7 | 59.2 | 0 | 0 | 0 | 0 | 111.9 | S2058 K2059 V2060 | S2056-S2058 PolarHBondContact O-N 3.4Å; S2056-S2058 VanDerWaalsContact O-N 3.14Å; S2056-S2058 PolarHBondContact OG-OG 3.24Å; S2056-K2059 PolarHBondContact O-N 2.97Å; S2056-K2059 WeakPolarHBondContact OG-CB 3.4Å; S2056-V2060 PolarHBondContact O-N 2.8Å | ||
| 2057 | G | 75.9 | Confident | 78.1 | Confident | 31 Ų | 31 | 58.7 Ų | 58.7 | 32% | 0.32 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -57.1 | -28.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y2023 K2059 V2060 H2061 | Y2023-G2057 WeakPolarHBondContact OH-CA 3.33Å; G2057-K2059 PolarHBondContact O-N 3.32Å; G2057-V2060 PolarHBondContact O-N 3.19Å; G2057-H2061 WeakPolarHBondContact O-CB 3.44Å; G2057-H2061 PolarHBondContact O-N 3.31Å |
| 2058 | S | 74.9 | Confident | 78 | Confident | 81 Ų | 81 | 62 Ų | 62 | 57% | 0.566 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.2 | -39.6 | 174.3 | 55.4 | 0 | 0 | 0 | 0 | 113 | S2056 H2061 Q2062 | S2056-S2058 PolarHBondContact O-N 3.4Å; S2056-S2058 VanDerWaalsContact O-N 3.14Å; S2056-S2058 PolarHBondContact OG-OG 3.24Å; S2058-H2061 PolarHBondContact O-N 2.97Å; S2058-Q2062 WeakPolarHBondContact O-CG 3.45Å; S2058-Q2062 PolarHBondContact O-N 3.25Å; S2058-Q2062 VanDerWaalsContact O-N 3.08Å |
| 2059 | K | 68.8 | Low | 77.6 | Confident | 87 Ų | 87 | 64.1 Ų | 64.1 | 38% | 0.378 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -70.5 | -36.6 | 177.7 | -169.7 | 66 | -171.8 | 170.2 | 0 | 111.7 | S2056 G2057 Q2062 N2063 | S2056-K2059 PolarHBondContact O-N 2.97Å; S2056-K2059 WeakPolarHBondContact OG-CB 3.4Å; G2057-K2059 PolarHBondContact O-N 3.32Å; K2059-Q2062 PolarHBondContact O-N 2.94Å; K2059-N2063 PolarHBondContact O-N 3.4Å; K2059-N2063 VanDerWaalsContact O-N 3.11Å |
| 2060 | V | 73.2 | Confident | 77.3 | Confident | 13 Ų | 13 | 65.2 Ų | 65.2 | 8% | 0.079 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.2 | -47 | 173.3 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | F2019 Y2023 S2056 G2057 Q2062 N2063 L2064 | F2019-V2060 HydrophobicContact CE1-CB 4.14Å; F2019-V2060 HydrophobicContact CE1-CG1 3.76Å; F2019-V2060 HydrophobicContact CE1-CG2 4.11Å; F2019-V2060 HydrophobicContact CZ-CB 4.22Å; F2019-V2060 HydrophobicContact CZ-CG1 4.32Å; F2019-V2060 HydrophobicContact CZ-CG2 3.81Å; Y2023-V2060 HydrophobicContact CD2-CB 4.24Å; Y2023-V2060 HydrophobicContact CD2-CG2 3.3Å; Y2023-V2060 HydrophobicContact CE2-CB 4.38Å; Y2023-V2060 HydrophobicContact CE2-CG2 3.75Å; Y2023-V2060 HydrophobicContact CG-CG1 4.31Å; Y2023-V2060 HydrophobicContact CG-CG2 3.8Å; S2056-V2060 PolarHBondContact O-N 2.8Å; G2057-V2060 PolarHBondContact O-N 3.19Å; V2060-Q2062 VanDerWaalsContact C-N 3.32Å; V2060-Q2062 PolarHBondContact O-N 3.08Å; V2060-N2063 PolarHBondContact O-N 3.22Å; V2060-N2063 VanDerWaalsContact O-N 3.16Å; V2060-L2064 HydrophobicContact CG1-CD1 4.04Å; V2060-L2064 HydrophobicContact CG1-CG 4.35Å; V2060-L2064 WeakPolarHBondContact O-CG 3.22Å; V2060-L2064 PolarHBondContact O-N 3.06Å |
| 2061 | H | 78.2 | Confident | 76.7 | Confident | 116 Ų | 116 | 60 Ų | 60 | 54% | 0.537 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.1 | -42 | 176.8 | -171.3 | 71 | 0 | 0 | 0 | 112.6 | G2057 S2058 N2063 L2064 E2065 | G2057-H2061 WeakPolarHBondContact O-CB 3.44Å; G2057-H2061 PolarHBondContact O-N 3.31Å; S2058-H2061 PolarHBondContact O-N 2.97Å; H2061-N2063 PolarHBondContact O-N 2.85Å; H2061-L2064 PolarHBondContact O-N 3.1Å; H2061-E2065 PolarHBondContact O-N 3.47Å; H2061-E2065 VanDerWaalsContact O-N 3.11Å |
| 2062 | Q | 76.1 | Confident | 75.8 | Confident | 70 Ų | 70 | 67.5 Ų | 67.5 | 33% | 0.327 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.6 | -45 | 174.4 | -75.8 | 176.9 | -4.3 | 0 | 0 | 112.6 | L1959 S2058 K2059 V2060 E2065 V2066 | L1959-Q2062 HydrophobicContact CD1-CB 4.47Å; S2058-Q2062 WeakPolarHBondContact O-CG 3.45Å; S2058-Q2062 PolarHBondContact O-N 3.25Å; S2058-Q2062 VanDerWaalsContact O-N 3.08Å; K2059-Q2062 PolarHBondContact O-N 2.94Å; V2060-Q2062 VanDerWaalsContact C-N 3.32Å; V2060-Q2062 PolarHBondContact O-N 3.08Å; Q2062-E2065 PolarHBondContact O-N 3.18Å; Q2062-V2066 PolarHBondContact O-N 3.11Å |
| 2063 | N | 75.3 | Confident | 75.4 | Confident | 38 Ų | 38 | 67.7 Ų | 67.7 | 20% | 0.203 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 178 | -74.5 | -0.6 | 0 | 0 | 0 | 111.4 | F2019 K2059 V2060 H2061 E2065 V2066 Y2067 | F2019-N2063 HydrophobicContact CE1-CB 3.81Å; F2019-N2063 WeakPolarHBondContact CE2-ND2 3.4Å; F2019-N2063 HydrophobicContact CZ-CB 3.84Å; F2019-N2063 WeakPolarHBondContact CZ-ND2 3.45Å; K2059-N2063 PolarHBondContact O-N 3.4Å; K2059-N2063 VanDerWaalsContact O-N 3.11Å; V2060-N2063 PolarHBondContact O-N 3.22Å; V2060-N2063 VanDerWaalsContact O-N 3.16Å; H2061-N2063 PolarHBondContact O-N 2.85Å; N2063-E2065 VanDerWaalsContact C-N 3.29Å; N2063-E2065 PolarHBondContact O-N 3.18Å; N2063-V2066 WeakPolarHBondContact O-CB 3.19Å; N2063-V2066 PolarHBondContact O-N 3.27Å; N2063-Y2067 WeakPolarHBondContact O-CD2 3.33Å; N2063-Y2067 PolarHBondContact O-N 3.07Å; N2063-Y2067 VanDerWaalsContact O-N 3.15Å |
| 2064 | L | 81.3 | Confident | 75.1 | Confident | 67 Ų | 67 | 68.4 Ų | 68.4 | 35% | 0.351 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60 | -36.1 | 177.5 | -69.8 | 175.7 | 0 | 0 | 0 | 112.9 | L2016 V2060 H2061 V2066 Y2067 R2068 | L2016-L2064 HydrophobicContact CD1-CD2 3.37Å; V2060-L2064 HydrophobicContact CG1-CD1 4.04Å; V2060-L2064 HydrophobicContact CG1-CG 4.35Å; V2060-L2064 WeakPolarHBondContact O-CG 3.22Å; V2060-L2064 PolarHBondContact O-N 3.06Å; H2061-L2064 PolarHBondContact O-N 3.1Å; L2064-V2066 VanDerWaalsContact C-N 3.3Å; L2064-V2066 PolarHBondContact O-N 3.39Å; L2064-Y2067 PolarHBondContact O-N 3.46Å; L2064-R2068 WeakPolarHBondContact O-CB 3.39Å; L2064-R2068 PolarHBondContact O-N 2.87Å |
| 2065 | E | 79.5 | Confident | 75.3 | Confident | 87 Ų | 87 | 70.2 Ų | 70.2 | 41% | 0.407 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.7 | -31.4 | 174 | -78.9 | -67 | 142.3 | 0 | 0 | 112.5 | H2061 Q2062 N2063 R2068 Y2069 | H2061-E2065 PolarHBondContact O-N 3.47Å; H2061-E2065 VanDerWaalsContact O-N 3.11Å; Q2062-E2065 PolarHBondContact O-N 3.18Å; N2063-E2065 VanDerWaalsContact C-N 3.29Å; N2063-E2065 PolarHBondContact O-N 3.18Å; E2065-R2068 PolarHBondContact O-N 3.02Å; E2065-R2068 IonicContact OE1-NH1 2.77Å; E2065-R2068 PolarHBondContact OE1-NH1 3.39Å; E2065-R2068 VanDerWaalsContact OE1-NH1 3.12Å; E2065-R2068 IonicContact OE2-NH1 3.13Å; E2065-Y2069 PolarHBondContact O-N 3.21Å |
| 2066 | V | 81.1 | Confident | 75.6 | Confident | 10 Ų | 10 | 72 Ų | 72 | 6% | 0.061 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.2 | -47.8 | 172.7 | -179.6 | 0 | 0 | 0 | 0 | 111 | I1901 L1959 L1961 C1980 Q2062 N2063 L2064 R2068 Y2069 I2070 | I1901-V2066 HydrophobicContact CG2-CG1 4.49Å; L1959-V2066 HydrophobicContact CB-CG2 4.05Å; L1959-V2066 HydrophobicContact CD1-CG2 3.4Å; L1959-V2066 HydrophobicContact CG-CG2 4.33Å; L1961-V2066 HydrophobicContact CB-CG1 4.19Å; C1980-V2066 VanDerWaalsContact SG-CG1 3.5Å; Q2062-V2066 PolarHBondContact O-N 3.11Å; N2063-V2066 WeakPolarHBondContact O-CB 3.19Å; N2063-V2066 PolarHBondContact O-N 3.27Å; L2064-V2066 VanDerWaalsContact C-N 3.3Å; L2064-V2066 PolarHBondContact O-N 3.39Å; V2066-R2068 VanDerWaalsContact C-N 3.26Å; V2066-R2068 PolarHBondContact O-N 3.04Å; V2066-Y2069 WeakPolarHBondContact O-CB 3.34Å; V2066-Y2069 PolarHBondContact O-N 2.88Å; V2066-I2070 HydrophobicContact CG1-CD1 3.89Å; V2066-I2070 WeakPolarHBondContact O-CG1 3.39Å; V2066-I2070 PolarHBondContact O-N 3.44Å |
| 2067 | Y | 81.7 | Confident | 75.7 | Confident | 21 Ų | 21 | 72.9 Ų | 72.9 | 8% | 0.082 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -56.6 | -42.9 | 174.4 | -76.3 | -83.6 | 0 | 0 | 0 | 111.8 | L1961 L2012 H2015 L2016 N2063 L2064 Y2069 I2070 A2071 | L1961-Y2067 HydrophobicContact CD1-CE1 4.29Å; L1961-Y2067 HydrophobicContact CD1-CE2 4.05Å; L1961-Y2067 HydrophobicContact CD2-CD1 4Å; L1961-Y2067 HydrophobicContact CD2-CE1 3.85Å; L1961-Y2067 HydrophobicContact CD2-CG 4.44Å; L2012-Y2067 HydrophobicContact CD2-CD1 4.34Å; L2012-Y2067 HydrophobicContact CD2-CE1 4.12Å; H2015-Y2067 PolarHBondContact CE1-OH 2.98Å; H2015-Y2067 AromaticContact ND1-CZ 3.67Å; H2015-Y2067 PolarHBondContact ND1-OH 2.77Å; L2016-Y2067 HydrophobicContact CB-CD1 4.25Å; L2016-Y2067 HydrophobicContact CB-CE1 3.86Å; L2016-Y2067 HydrophobicContact CD1-CD1 4.44Å; L2016-Y2067 HydrophobicContact CD1-CD2 3.95Å; L2016-Y2067 HydrophobicContact CD1-CE1 4.45Å; L2016-Y2067 HydrophobicContact CD1-CE2 3.97Å; L2016-Y2067 HydrophobicContact CD1-CG 4.17Å; L2016-Y2067 PolarHBondContact N-OH 2.61Å; N2063-Y2067 WeakPolarHBondContact O-CD2 3.33Å; N2063-Y2067 PolarHBondContact O-N 3.07Å; N2063-Y2067 VanDerWaalsContact O-N 3.15Å; L2064-Y2067 PolarHBondContact O-N 3.46Å; Y2067-Y2069 VanDerWaalsContact C-N 3.25Å; Y2067-Y2069 PolarHBondContact O-N 2.85Å; Y2067-I2070 PolarHBondContact O-N 3.45Å; Y2067-A2071 WeakPolarHBondContact O-CB 3.48Å; Y2067-A2071 PolarHBondContact O-N 2.95Å |
| 2068 | R | 78.9 | Confident | 75.6 | Confident | 137 Ų | 137 | 75.7 Ų | 75.7 | 52% | 0.517 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.7 | -34 | 176.7 | -174.3 | -175.2 | -176.4 | -172.2 | 4.9 | 112.4 | L2064 E2065 V2066 K2072 | L2064-R2068 WeakPolarHBondContact O-CB 3.39Å; L2064-R2068 PolarHBondContact O-N 2.87Å; E2065-R2068 PolarHBondContact O-N 3.02Å; E2065-R2068 IonicContact OE1-NH1 2.77Å; E2065-R2068 PolarHBondContact OE1-NH1 3.39Å; E2065-R2068 VanDerWaalsContact OE1-NH1 3.12Å; E2065-R2068 IonicContact OE2-NH1 3.13Å; V2066-R2068 VanDerWaalsContact C-N 3.26Å; V2066-R2068 PolarHBondContact O-N 3.04Å; R2068-K2072 VanDerWaalsContact O-CG 3.31Å; R2068-K2072 WeakPolarHBondContact O-CG 3.29Å |
| 2069 | Y | 74.1 | Confident | 75.7 | Confident | 100 Ų | 100 | 75.4 Ų | 75.4 | 39% | 0.392 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -74 | -42.1 | 176.4 | -158.1 | -72.6 | 0 | 0 | 0 | 111.5 | R1899 I1901 E2065 V2066 Y2067 A2071 K2072 | R1899-Y2069 PolarHBondContact O-OH 2.92Å; I1901-Y2069 HydrophobicContact CB-CD1 4.11Å; I1901-Y2069 HydrophobicContact CB-CE1 4.4Å; I1901-Y2069 HydrophobicContact CD1-CD1 4.1Å; I1901-Y2069 HydrophobicContact CD1-CE1 4.29Å; I1901-Y2069 HydrophobicContact CG1-CD1 3.57Å; I1901-Y2069 HydrophobicContact CG1-CE1 3.58Å; I1901-Y2069 HydrophobicContact CG2-CD1 4.11Å; E2065-Y2069 PolarHBondContact O-N 3.21Å; V2066-Y2069 WeakPolarHBondContact O-CB 3.34Å; V2066-Y2069 PolarHBondContact O-N 2.88Å; Y2067-Y2069 VanDerWaalsContact C-N 3.25Å; Y2067-Y2069 PolarHBondContact O-N 2.85Å; Y2069-A2071 VanDerWaalsContact C-N 3.3Å; Y2069-A2071 PolarHBondContact O-N 2.9Å; Y2069-K2072 PolarHBondContact O-N 3.41Å; Y2069-K2072 VanDerWaalsContact O-N 3.16Å; Y2069-K2072 VanDerWaalsContact O-OXT 3.06Å |
| 2070 | I | 76.1 | Confident | 76.2 | Confident | 32 Ų | 32 | 74.5 Ų | 74.5 | 16% | 0.164 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.4 | -35.3 | 177.8 | -67.5 | 166.9 | 0 | 0 | 0 | 111.5 | I1901 L1961 L1979 L2012 V2066 Y2067 K2072 | I1901-I2070 HydrophobicContact CG2-CD1 4.18Å; I1901-I2070 HydrophobicContact CG2-CG1 3.55Å; L1961-I2070 HydrophobicContact CB-CD1 4.31Å; L1961-I2070 HydrophobicContact CD2-CD1 3.39Å; L1961-I2070 HydrophobicContact CG-CD1 4.44Å; L1979-I2070 HydrophobicContact CB-CD1 3.82Å; L1979-I2070 HydrophobicContact CD1-CD1 4.03Å; L1979-I2070 HydrophobicContact CD1-CG2 4.24Å; L2012-I2070 HydrophobicContact CD1-CG2 3.94Å; V2066-I2070 HydrophobicContact CG1-CD1 3.89Å; V2066-I2070 WeakPolarHBondContact O-CG1 3.39Å; V2066-I2070 PolarHBondContact O-N 3.44Å; Y2067-I2070 PolarHBondContact O-N 3.45Å; I2070-K2072 PolarHBondContact O-N 3.45Å |
| 2071 | A | 71.3 | Confident | 76.5 | Confident | 92 Ų | 92 | 79.6 Ų | 79.6 | 76% | 0.76 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -15.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y2067 Y2069 | Y2067-A2071 WeakPolarHBondContact O-CB 3.48Å; Y2067-A2071 PolarHBondContact O-N 2.95Å; Y2069-A2071 VanDerWaalsContact C-N 3.3Å; Y2069-A2071 PolarHBondContact O-N 2.9Å |
| 2072 | K | 64 | Low | 76.3 | Confident | 185 Ų | 185 | 76.3 Ų | 76.3 | 80% | 0.804 | 37% | 0.37 | S | S | * | . | trans | -93.4 | 0 | 177.6 | -77.2 | 173.1 | 179.7 | 175.5 | 0 | 110.6 | R2068 Y2069 I2070 | R2068-K2072 VanDerWaalsContact O-CG 3.31Å; R2068-K2072 WeakPolarHBondContact O-CG 3.29Å; Y2069-K2072 PolarHBondContact O-N 3.41Å; Y2069-K2072 VanDerWaalsContact O-N 3.16Å; Y2069-K2072 VanDerWaalsContact O-OXT 3.06Å; I2070-K2072 PolarHBondContact O-N 3.45Å |
Retrieved 2,072 of 2,072 residues in 2124.8 ms
(Link to these results)