| 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 | 35 | Very low | 54 | Low | 246 Ų | 246 | 134.5 Ų | 134.5 | 100% | 1.212 | 68% | 0.683 | S | S | * | * | 0 | 100.2 | 0 | -154.9 | 161.4 | -174.4 | 0 | 0 | 105.6 | L3 | M1-L3 PolarHBondContact O-N 3.35Š| |||
| 2 | S | 37.1 | Very low | 56.8 | Low | 100 Ų | 100 | 126.9 Ų | 126.9 | 70% | 0.699 | 64% | 0.644 | S | S | * | * | trans | -72.6 | 122.4 | -177.7 | 44.9 | 0 | 0 | 0 | 0 | 109.1 | Y4 | S2-Y4 PolarHBondContact O-N 3.05Š| ||
| 3 | L | 38.7 | Very low | 59.1 | Low | 161 Ų | 161 | 121.5 Ų | 121.5 | 84% | 0.843 | 62% | 0.618 | S | S | * | * | trans | -61.8 | 106.6 | 163.8 | -84.9 | 143.3 | 0 | 0 | 0 | 107.4 | M1 N5 | M1-L3 PolarHBondContact O-N 3.35Å; L3-N5 PolarHBondContact O-N 3.43Å | ||
| 4 | Y | 42 | Very low | 61.1 | Low | 205 Ų | 205 | 121.5 Ų | 121.5 | 80% | 0.804 | 63% | 0.63 | S | S | * | * | trans | -66.8 | 118.7 | 158 | -94.1 | -95.1 | 0 | 0 | 0 | 106.3 | S2 D6 | S2-Y4 PolarHBondContact O-N 3.05Å; Y4-D6 PolarHBondContact O-N 3.38Å | ||
| 5 | N | 43.6 | Very low | 63 | Low | 103 Ų | 103 | 119.5 Ų | 119.5 | 55% | 0.551 | 63% | 0.631 | S | S | * | * | trans | -68.5 | 117.2 | 170.6 | -73.5 | -16.6 | 0 | 0 | 0 | 108 | L3 E7 D8 | L3-N5 PolarHBondContact O-N 3.43Å; N5-E7 PolarHBondContact O-N 3.49Å; N5-D8 PolarHBondContact O-N 3.13Å | ||
| 6 | D | 51.4 | Low | 64.5 | Low | 133 Ų | 133 | 115.1 Ų | 115.1 | 71% | 0.711 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -15.4 | 175.9 | -104.9 | -29.8 | 0 | 0 | 0 | 112.9 | Y4 D8 K33 | Y4-D6 PolarHBondContact O-N 3.38Å; D6-D8 VanDerWaalsContact C-N 3.35Å; D6-D8 PolarHBondContact O-N 3Å; D6-K33 PolarHBondContact O-NZ 2.73Å |
| 7 | E | 55.2 | Low | 65.8 | Low | 164 Ų | 164 | 118.2 Ų | 118.2 | 77% | 0.766 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -34.4 | 178.3 | -58.6 | -169.4 | 167.2 | 0 | 0 | 112.4 | N5 K33 | N5-E7 PolarHBondContact O-N 3.49Å; E7-K33 VanDerWaalsContact C-NZ 3.33Å; E7-K33 PolarHBondContact O-NZ 3.26Å |
| 8 | D | 60.6 | Low | 67 | Low | 133 Ų | 133 | 114.6 Ų | 114.6 | 71% | 0.711 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -91.3 | -7.6 | -176.9 | -69.8 | -38.7 | 0 | 0 | 0 | 114.6 | N5 D6 I10 | N5-D8 PolarHBondContact O-N 3.13Å; D6-D8 VanDerWaalsContact C-N 3.35Å; D6-D8 PolarHBondContact O-N 3Å; D8-I10 PolarHBondContact O-N 2.77Å; D8-I10 VanDerWaalsContact O-N 3.13Å |
| 9 | L | 70.5 | Confident | 67.9 | Low | 94 Ų | 94 | 111.2 Ų | 111.2 | 49% | 0.492 | 58% | 0.578 | S | S | . | * | trans | -71.2 | 111.3 | 178.9 | -163.3 | 75.8 | 0 | 0 | 0 | 110.1 | I11 K33 | L9-I11 HydrophobicContact CD2-CD1 4.38Å; L9-I11 HydrophobicContact CD2-CG1 4.36Å; L9-K33 PolarHBondContact O-NZ 3.5Å | ||
| 10 | I | 78 | Confident | 68.7 | Low | 74 Ų | 74 | 110.6 Ų | 110.6 | 38% | 0.379 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -97.2 | 118 | 173.9 | -55.9 | 174.4 | 0 | 0 | 0 | 109 | D8 I12 L19 D29 I35 | D8-I10 PolarHBondContact O-N 2.77Å; D8-I10 VanDerWaalsContact O-N 3.13Å; I10-I12 HydrophobicContact CG2-CG2 4.4Å; I10-L19 HydrophobicContact CD1-CD2 4.14Å; I10-L19 HydrophobicContact CG2-CD1 3.76Å; I10-D29 VanDerWaalsContact CA-OD2 3.25Å; I10-D29 WeakPolarHBondContact CA-OD2 3.25Å; I10-D29 HydrophobicContact CG2-CB 4.16Å; I10-I35 HydrophobicContact CD1-CG2 4.42Å; I10-I35 HydrophobicContact CG2-CD1 3.91Å; I10-I35 HydrophobicContact CG2-CG1 4.2Å; I10-I35 HydrophobicContact CG2-CG2 4.33Å |
| 11 | I | 82.4 | Confident | 69.5 | Low | 67 Ų | 67 | 107.4 Ų | 107.4 | 34% | 0.344 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -97.8 | 116.9 | 176.2 | -50.2 | -164.5 | 0 | 0 | 0 | 110 | L9 D29 L30 I31 | L9-I11 HydrophobicContact CD2-CD1 4.38Å; L9-I11 HydrophobicContact CD2-CG1 4.36Å; I11-D29 VanDerWaalsContact N-CG 3.29Å; I11-D29 PolarHBondContact N-OD2 2.85Å; I11-L30 HydrophobicContact CG2-CB 4.47Å; I11-L30 HydrophobicContact CG2-CD1 4.12Å; I11-L30 PolarHBondContact O-N 3.34Å; I11-I31 HydrophobicContact CB-CD1 4.48Å; I11-I31 HydrophobicContact CD1-CD1 3.51Å; I11-I31 HydrophobicContact CD1-CG1 4.2Å; I11-I31 HydrophobicContact CG1-CD1 3.81Å; I11-I31 HydrophobicContact CG1-CG1 4.49Å |
| 12 | I | 87.1 | Confident | 72 | Confident | 43 Ų | 43 | 95.8 Ų | 95.8 | 22% | 0.221 | 51% | 0.506 | C | S | . | . | P | Polyproline II helix | trans | -100.9 | 156.1 | 172.2 | 62.5 | 175.6 | 0 | 0 | 0 | 110.6 | I10 L19 F22 | I10-I12 HydrophobicContact CG2-CG2 4.4Å; I12-L19 HydrophobicContact CG2-CD1 3.41Å; I12-L19 VanDerWaalsContact CG2-CD1 3.41Å; I12-F22 HydrophobicContact CB-CB 4.24Å; I12-F22 HydrophobicContact CB-CD1 4.41Å; I12-F22 HydrophobicContact CB-CD2 4.02Å; I12-F22 HydrophobicContact CB-CG 3.96Å; I12-F22 HydrophobicContact CG2-CB 4.01Å; I12-F22 HydrophobicContact CG2-CD1 3.91Å; I12-F22 HydrophobicContact CG2-CD2 4.39Å; I12-F22 HydrophobicContact CG2-CG 3.84Å |
| 13 | D | 86.4 | Confident | 74.3 | Confident | 57 Ų | 57 | 96.8 Ų | 96.8 | 31% | 0.305 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 126.5 | 168.9 | -173.8 | -49 | 0 | 0 | 0 | 109.6 | S15 Y16 F22 L30 | D13-S15 VanDerWaalsContact CG-OG 3.24Å; D13-S15 PolarHBondContact O-N 3.2Å; D13-S15 VanDerWaalsContact O-N 3.08Å; D13-S15 VanDerWaalsContact OD1-CB 3.24Å; D13-S15 WeakPolarHBondContact OD1-CB 3.4Å; D13-S15 PolarHBondContact OD1-N 2.79Å; D13-S15 PolarHBondContact OD1-OG 2.79Å; D13-Y16 HydrophobicContact CB-CD2 4.02Å; D13-Y16 HydrophobicContact CB-CE2 4.44Å; D13-Y16 PolarHBondContact O-N 2.78Å; D13-F22 HydrophobicContact CB-CD2 4.15Å; D13-F22 HydrophobicContact CB-CE2 3.75Å; D13-L30 HydrophobicContact CB-CD1 4.44Å; D13-L30 HydrophobicContact CB-CD2 4.41Å |
| 14 | P | 87.4 | Confident | 76.6 | Confident | 121 Ų | 121 | 95.9 Ų | 95.9 | 79% | 0.786 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -7.2 | -176.4 | 28.9 | -36.8 | 0 | 0 | 0 | 114.3 | Y16 | P14-Y16 PolarHBondContact O-N 3.13Š|
| 15 | S | 89.2 | Confident | 78.7 | Confident | 91 Ų | 91 | 91.1 Ų | 91.1 | 64% | 0.636 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -17.6 | 167.1 | 61.7 | 0 | 0 | 0 | 0 | 113.3 | D13 | D13-S15 VanDerWaalsContact CG-OG 3.24Å; D13-S15 PolarHBondContact O-N 3.2Å; D13-S15 VanDerWaalsContact O-N 3.08Å; D13-S15 VanDerWaalsContact OD1-CB 3.24Å; D13-S15 WeakPolarHBondContact OD1-CB 3.4Å; D13-S15 PolarHBondContact OD1-N 2.79Å; D13-S15 PolarHBondContact OD1-OG 2.79Å |
| 16 | Y | 87.8 | Confident | 80.7 | Confident | 50 Ų | 50 | 91.9 Ų | 91.9 | 20% | 0.196 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -94.9 | 126.4 | 175.9 | -71.2 | -99.2 | 0 | 0 | 0 | 111.4 | D13 P14 N18 N21 F22 D25 Y26 | D13-Y16 HydrophobicContact CB-CD2 4.02Å; D13-Y16 HydrophobicContact CB-CE2 4.44Å; D13-Y16 PolarHBondContact O-N 2.78Å; P14-Y16 PolarHBondContact O-N 3.13Å; Y16-N18 PolarHBondContact O-N 3.08Å; Y16-N18 VanDerWaalsContact O-N 3.15Å; Y16-N21 HydrophobicContact CD1-CB 4.01Å; Y16-F22 VanDerWaalsContact CD1-CA 3.48Å; Y16-F22 HydrophobicContact CD1-CB 4.1Å; Y16-F22 HydrophobicContact CD1-CD2 4.49Å; Y16-F22 AromaticContact CD2-CD2 3.67Å; Y16-F22 HydrophobicContact CD2-CD2 3.67Å; Y16-F22 HydrophobicContact CD2-CE2 4.41Å; Y16-F22 HydrophobicContact CE2-CD2 4.03Å; Y16-F22 HydrophobicContact CG-CB 4.02Å; Y16-F22 AromaticContact CG-CD2 3.92Å; Y16-F22 HydrophobicContact CG-CD2 3.92Å; Y16-F22 HydrophobicContact CG-CG 4.47Å; Y16-D25 VanDerWaalsContact CE1-OD2 3.22Å; Y16-D25 WeakPolarHBondContact CE1-OD2 3.3Å; Y16-D25 PolarHBondContact OH-OD2 3.49Å; Y16-Y26 HydrophobicContact CE2-CE2 4.09Å; Y16-Y26 WeakPolarHBondContact OH-CE2 3.28Å |
| 17 | E | 86.9 | Confident | 82.2 | Confident | 167 Ų | 167 | 88.9 Ų | 88.9 | 78% | 0.78 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -54.7 | -33.6 | 178.9 | -178.6 | -171.6 | -158.1 | 0 | 0 | 113.9 | N21 | E17-N21 PolarHBondContact OE2-ND2 3.3Å; E17-N21 VanDerWaalsContact OE2-ND2 3.14Å |
| 18 | N | 86.8 | Confident | 83.5 | Confident | 53 Ų | 53 | 86.1 Ų | 86.1 | 28% | 0.283 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -162.1 | 166.4 | -177.4 | 57.3 | 66.8 | 0 | 0 | 0 | 112 | Y16 T20 N21 F22 | Y16-N18 PolarHBondContact O-N 3.08Å; Y16-N18 VanDerWaalsContact O-N 3.15Å; N18-T20 PolarHBondContact O-N 2.91Å; N18-T20 WeakPolarHBondContact OD1-CA 3.26Å; N18-T20 VanDerWaalsContact OD1-CB 3.28Å; N18-T20 WeakPolarHBondContact OD1-CB 3.49Å; N18-T20 PolarHBondContact OD1-N 3.38Å; N18-T20 VanDerWaalsContact OD1-N 3.08Å; N18-N21 PolarHBondContact ND2-ND2 3.34Å; N18-N21 PolarHBondContact O-N 2.91Å; N18-N21 VanDerWaalsContact O-N 3.11Å; N18-N21 PolarHBondContact OD1-N 3.41Å; N18-F22 PolarHBondContact O-N 2.78Å; N18-F22 VanDerWaalsContact O-N 3.11Å |
| 19 | L | 83.3 | Confident | 84.7 | Confident | 50 Ų | 50 | 80.1 Ų | 80.1 | 26% | 0.262 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -56 | -33.3 | 177.9 | -173.1 | 63.2 | 0 | 0 | 0 | 113.5 | I10 I12 F22 R23 I35 | I10-L19 HydrophobicContact CD1-CD2 4.14Å; I10-L19 HydrophobicContact CG2-CD1 3.76Å; I12-L19 HydrophobicContact CG2-CD1 3.41Å; I12-L19 VanDerWaalsContact CG2-CD1 3.41Å; L19-F22 PolarHBondContact O-N 3.31Å; L19-R23 HydrophobicContact CD1-CG 4.48Å; L19-R23 HydrophobicContact CG-CG 4.38Å; L19-R23 VanDerWaalsContact O-CB 3.31Å; L19-R23 WeakPolarHBondContact O-CB 3.41Å; L19-R23 WeakPolarHBondContact O-CG 3.4Å; L19-R23 PolarHBondContact O-N 3.46Å; L19-I35 HydrophobicContact CD1-CD1 4.05Å; L19-I35 HydrophobicContact CD1-CG2 3.67Å; L19-I35 HydrophobicContact CD2-CG2 4.45Å; L19-I35 HydrophobicContact CG-CG2 4.3Å |
| 20 | T | 84.8 | Confident | 85.3 | Confident | 99 Ų | 99 | 80.6 Ų | 80.6 | 61% | 0.607 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -70.5 | -32.9 | 179.7 | -50.5 | 0 | 0 | 0 | 0 | 112.2 | N18 | N18-T20 PolarHBondContact O-N 2.91Å; N18-T20 WeakPolarHBondContact OD1-CA 3.26Å; N18-T20 VanDerWaalsContact OD1-CB 3.28Å; N18-T20 WeakPolarHBondContact OD1-CB 3.49Å; N18-T20 PolarHBondContact OD1-N 3.38Å; N18-T20 VanDerWaalsContact OD1-N 3.08Å |
| 21 | N | 85.3 | Confident | 85.6 | Confident | 44 Ų | 44 | 82.4 Ų | 82.4 | 24% | 0.235 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -74.1 | -43.3 | 172.5 | -72.9 | -26.3 | 0 | 0 | 0 | 110.6 | Y16 E17 N18 R23 K24 | Y16-N21 HydrophobicContact CD1-CB 4.01Å; E17-N21 PolarHBondContact OE2-ND2 3.3Å; E17-N21 VanDerWaalsContact OE2-ND2 3.14Å; N18-N21 PolarHBondContact ND2-ND2 3.34Å; N18-N21 PolarHBondContact O-N 2.91Å; N18-N21 VanDerWaalsContact O-N 3.11Å; N18-N21 PolarHBondContact OD1-N 3.41Å; N21-R23 PolarHBondContact O-N 3.43Å; N21-K24 WeakPolarHBondContact O-CB 3.24Å; N21-K24 PolarHBondContact O-N 2.98Å; N21-K24 PolarHBondContact OD1-NZ 2.88Å |
| 22 | F | 88.1 | Confident | 85.5 | Confident | 3 Ų | 3 | 81.2 Ų | 81.2 | 1% | 0.013 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 177.3 | -172.9 | -90.9 | 0 | 0 | 0 | 112.6 | I12 D13 Y16 N18 L19 K24 D25 Y26 Y28 L30 I35 | I12-F22 HydrophobicContact CB-CB 4.24Å; I12-F22 HydrophobicContact CB-CD1 4.41Å; I12-F22 HydrophobicContact CB-CD2 4.02Å; I12-F22 HydrophobicContact CB-CG 3.96Å; I12-F22 HydrophobicContact CG2-CB 4.01Å; I12-F22 HydrophobicContact CG2-CD1 3.91Å; I12-F22 HydrophobicContact CG2-CD2 4.39Å; I12-F22 HydrophobicContact CG2-CG 3.84Å; D13-F22 HydrophobicContact CB-CD2 4.15Å; D13-F22 HydrophobicContact CB-CE2 3.75Å; Y16-F22 VanDerWaalsContact CD1-CA 3.48Å; Y16-F22 HydrophobicContact CD1-CB 4.1Å; Y16-F22 HydrophobicContact CD1-CD2 4.49Å; Y16-F22 AromaticContact CD2-CD2 3.67Å; Y16-F22 HydrophobicContact CD2-CD2 3.67Å; Y16-F22 HydrophobicContact CD2-CE2 4.41Å; Y16-F22 HydrophobicContact CE2-CD2 4.03Å; Y16-F22 HydrophobicContact CG-CB 4.02Å; Y16-F22 AromaticContact CG-CD2 3.92Å; Y16-F22 HydrophobicContact CG-CD2 3.92Å; Y16-F22 HydrophobicContact CG-CG 4.47Å; N18-F22 PolarHBondContact O-N 2.78Å; N18-F22 VanDerWaalsContact O-N 3.11Å; L19-F22 PolarHBondContact O-N 3.31Å; F22-K24 PolarHBondContact O-N 3.39Å; F22-D25 PolarHBondContact O-N 3.36Å; F22-D25 VanDerWaalsContact O-N 3.15Å; F22-Y26 HydrophobicContact CD2-CD2 4.04Å; F22-Y26 HydrophobicContact CE1-CD2 4.27Å; F22-Y26 HydrophobicContact CE1-CG 4.22Å; F22-Y26 AromaticContact CE2-CD2 3.63Å; F22-Y26 HydrophobicContact CE2-CD2 3.63Å; F22-Y26 HydrophobicContact CE2-CE2 4.2Å; F22-Y26 HydrophobicContact CE2-CG 4.24Å; F22-Y26 AromaticContact CZ-CD2 3.77Å; F22-Y26 HydrophobicContact CZ-CD2 3.77Å; F22-Y26 AromaticContact CZ-CG 3.89Å; F22-Y26 HydrophobicContact CZ-CG 3.89Å; F22-Y26 PolarHBondContact O-N 2.58Å; F22-Y28 VanDerWaalsContact CE1-O 3.3Å; F22-Y28 WeakPolarHBondContact CE1-O 3.37Å; F22-L30 HydrophobicContact CZ-CD2 4.47Å; F22-I35 HydrophobicContact CD1-CD1 3.55Å; F22-I35 HydrophobicContact CE1-CD1 3.44Å; F22-I35 VanDerWaalsContact CE1-CD1 3.44Å |
| 23 | R | 85.3 | Confident | 85 | Confident | 120 Ų | 120 | 82 Ų | 82 | 45% | 0.453 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.1 | -11.1 | 176.2 | -79.2 | 175.1 | -179.1 | -156.8 | -5.6 | 115.5 | L19 N21 I35 | L19-R23 HydrophobicContact CD1-CG 4.48Å; L19-R23 HydrophobicContact CG-CG 4.38Å; L19-R23 VanDerWaalsContact O-CB 3.31Å; L19-R23 WeakPolarHBondContact O-CB 3.41Å; L19-R23 WeakPolarHBondContact O-CG 3.4Å; L19-R23 PolarHBondContact O-N 3.46Å; N21-R23 PolarHBondContact O-N 3.43Å; R23-I35 HydrophobicContact CG-CB 4.3Å; R23-I35 HydrophobicContact CG-CG2 3.75Å |
| 24 | K | 85.4 | Confident | 84.6 | Confident | 143 Ų | 143 | 80.3 Ų | 80.3 | 62% | 0.622 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -78.4 | -33.1 | 175.7 | -67.9 | 166.8 | -173.9 | 166.7 | 0 | 111.8 | N21 F22 | N21-K24 WeakPolarHBondContact O-CB 3.24Å; N21-K24 PolarHBondContact O-N 2.98Å; N21-K24 PolarHBondContact OD1-NZ 2.88Å; F22-K24 PolarHBondContact O-N 3.39Å |
| 25 | D | 87.5 | Confident | 84.1 | Confident | 105 Ų | 105 | 74.9 Ų | 74.9 | 56% | 0.561 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -106.5 | -26.2 | -172.2 | -58.6 | -22.9 | 0 | 0 | 0 | 111.8 | Y16 F22 | Y16-D25 VanDerWaalsContact CE1-OD2 3.22Å; Y16-D25 WeakPolarHBondContact CE1-OD2 3.3Å; Y16-D25 PolarHBondContact OH-OD2 3.49Å; F22-D25 PolarHBondContact O-N 3.36Å; F22-D25 VanDerWaalsContact O-N 3.15Å |
| 26 | Y | 84.5 | Confident | 83.1 | Confident | 118 Ų | 118 | 71 Ų | 71 | 46% | 0.463 | 35% | 0.354 | S | S | . | . | trans | -130 | 130.5 | -176.2 | -60.4 | -78.1 | 0 | 0 | 0 | 113.5 | Y16 F22 | Y16-Y26 HydrophobicContact CE2-CE2 4.09Å; Y16-Y26 WeakPolarHBondContact OH-CE2 3.28Å; F22-Y26 HydrophobicContact CD2-CD2 4.04Å; F22-Y26 HydrophobicContact CE1-CD2 4.27Å; F22-Y26 HydrophobicContact CE1-CG 4.22Å; F22-Y26 AromaticContact CE2-CD2 3.63Å; F22-Y26 HydrophobicContact CE2-CD2 3.63Å; F22-Y26 HydrophobicContact CE2-CE2 4.2Å; F22-Y26 HydrophobicContact CE2-CG 4.24Å; F22-Y26 AromaticContact CZ-CD2 3.77Å; F22-Y26 HydrophobicContact CZ-CD2 3.77Å; F22-Y26 AromaticContact CZ-CG 3.89Å; F22-Y26 HydrophobicContact CZ-CG 3.89Å; F22-Y26 PolarHBondContact O-N 2.58Å | ||
| 27 | D | 82.7 | Confident | 82.2 | Confident | 71 Ų | 71 | 74.4 Ų | 74.4 | 38% | 0.38 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -78.7 | -17.3 | 172 | -94.7 | -38.8 | 0 | 0 | 0 | 112.9 | I35 G36 A39 | D27-I35 PolarHBondContact O-N 2.85Å; D27-G36 PolarHBondContact O-N 2.93Å; D27-A39 HydrophobicContact CB-CB 4.07Å |
| 28 | Y | 84.1 | Confident | 81.5 | Confident | 105 Ų | 105 | 75 Ų | 75 | 41% | 0.412 | 37% | 0.37 | S | S | . | . | B | Isolated β-bridge | trans | -132.7 | 148.1 | -174.7 | -60.4 | -92.3 | 0 | 0 | 0 | 112.3 | F22 G32 K33 A34 A39 | F22-Y28 VanDerWaalsContact CE1-O 3.3Å; F22-Y28 WeakPolarHBondContact CE1-O 3.37Å; Y28-G32 WeakPolarHBondContact CD1-O 3.26Å; Y28-K33 CarbonylContact C-O 3.56Å; Y28-K33 VanDerWaalsContact CA-O 3.26Å; Y28-K33 WeakPolarHBondContact CA-O 3.4Å; Y28-A34 HydrophobicContact CD1-CB 4.11Å; Y28-A34 HydrophobicContact CE1-CB 3.95Å; Y28-A39 HydrophobicContact CE1-CB 3.98Å; Y28-A39 HydrophobicContact CE2-CB 4.11Å |
| 29 | D | 84.5 | Confident | 80.7 | Confident | 7 Ų | 7 | 72.6 Ų | 72.6 | 4% | 0.037 | 36% | 0.357 | C | S | . | . | trans | -69.7 | 162.1 | 172.2 | 153.9 | -14.1 | 0 | 0 | 0 | 110.7 | I10 I11 I31 G32 K33 I35 | I10-D29 VanDerWaalsContact CA-OD2 3.25Å; I10-D29 WeakPolarHBondContact CA-OD2 3.25Å; I10-D29 HydrophobicContact CG2-CB 4.16Å; I11-D29 VanDerWaalsContact N-CG 3.29Å; I11-D29 PolarHBondContact N-OD2 2.85Å; D29-I31 PolarHBondContact O-N 3.47Å; D29-I31 VanDerWaalsContact O-N 3.13Å; D29-I31 PolarHBondContact OD1-N 2.97Å; D29-G32 WeakPolarHBondContact O-CA 3.46Å; D29-G32 PolarHBondContact O-N 3.08Å; D29-K33 HydrophobicContact CB-CB 4.14Å; D29-K33 PolarHBondContact N-O 3.49Å; D29-I35 HydrophobicContact CB-CD1 3.7Å; D29-I35 HydrophobicContact CB-CG1 3.73Å; D29-I35 VanDerWaalsContact N-CG1 3.33Å | ||
| 30 | L | 84.6 | Confident | 80 | Confident | 104 Ų | 104 | 72.1 Ų | 72.1 | 55% | 0.545 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -23.4 | 177.3 | -61 | -174.5 | 0 | 0 | 0 | 114.6 | I11 D13 F22 | I11-L30 HydrophobicContact CG2-CB 4.47Å; I11-L30 HydrophobicContact CG2-CD1 4.12Å; I11-L30 PolarHBondContact O-N 3.34Å; D13-L30 HydrophobicContact CB-CD1 4.44Å; D13-L30 HydrophobicContact CB-CD2 4.41Å; F22-L30 HydrophobicContact CZ-CD2 4.47Å |
| 31 | I | 83.5 | Confident | 79.4 | Confident | 112 Ų | 112 | 71.8 Ų | 71.8 | 57% | 0.574 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -3.6 | 172.7 | -50.1 | 165 | 0 | 0 | 0 | 112.1 | I11 D29 | I11-I31 HydrophobicContact CB-CD1 4.48Å; I11-I31 HydrophobicContact CD1-CD1 3.51Å; I11-I31 HydrophobicContact CD1-CG1 4.2Å; I11-I31 HydrophobicContact CG1-CD1 3.81Å; I11-I31 HydrophobicContact CG1-CG1 4.49Å; D29-I31 PolarHBondContact O-N 3.47Å; D29-I31 VanDerWaalsContact O-N 3.13Å; D29-I31 PolarHBondContact OD1-N 2.97Å |
| 32 | G | 79.6 | Confident | 79.1 | Confident | 42 Ų | 42 | 75.2 Ų | 75.2 | 43% | 0.433 | 37% | 0.366 | S | S | . | . | trans | 84.8 | 14.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y28 D29 | Y28-G32 WeakPolarHBondContact CD1-O 3.26Å; D29-G32 WeakPolarHBondContact O-CA 3.46Å; D29-G32 PolarHBondContact O-N 3.08Å | ||
| 33 | K | 78.1 | Confident | 78.4 | Confident | 59 Ų | 59 | 81.3 Ų | 81.3 | 26% | 0.257 | 40% | 0.395 | S | S | . | . | trans | -70.8 | 135.3 | 169.4 | -66.7 | -177.7 | -179.6 | 179.7 | 0 | 110.2 | D6 E7 L9 Y28 D29 I35 | D6-K33 PolarHBondContact O-NZ 2.73Å; E7-K33 VanDerWaalsContact C-NZ 3.33Å; E7-K33 PolarHBondContact O-NZ 3.26Å; L9-K33 PolarHBondContact O-NZ 3.5Å; Y28-K33 CarbonylContact C-O 3.56Å; Y28-K33 VanDerWaalsContact CA-O 3.26Å; Y28-K33 WeakPolarHBondContact CA-O 3.4Å; D29-K33 HydrophobicContact CB-CB 4.14Å; D29-K33 PolarHBondContact N-O 3.49Å; K33-I35 PolarHBondContact O-N 3.31Å | ||
| 34 | A | 77.6 | Confident | 77.9 | Confident | 22 Ų | 22 | 79.7 Ų | 79.7 | 18% | 0.182 | 40% | 0.395 | C | S | . | . | B | Isolated β-bridge | trans | -69.6 | 117.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y28 A39 S40 | Y28-A34 HydrophobicContact CD1-CB 4.11Å; Y28-A34 HydrophobicContact CE1-CB 3.95Å; A34-A39 HydrophobicContact CB-CB 3.63Å; A34-S40 PolarHBondContact O-OG 2.9Å |
| 35 | I | 75.7 | Confident | 77.4 | Confident | 7 Ų | 7 | 75.8 Ų | 75.8 | 4% | 0.036 | 38% | 0.384 | C | S | . | . | trans | -103 | -33.3 | 176.7 | -32.4 | 178.9 | 0 | 0 | 0 | 112.2 | I10 L19 F22 R23 D27 D29 K33 | I10-I35 HydrophobicContact CD1-CG2 4.42Å; I10-I35 HydrophobicContact CG2-CD1 3.91Å; I10-I35 HydrophobicContact CG2-CG1 4.2Å; I10-I35 HydrophobicContact CG2-CG2 4.33Å; L19-I35 HydrophobicContact CD1-CD1 4.05Å; L19-I35 HydrophobicContact CD1-CG2 3.67Å; L19-I35 HydrophobicContact CD2-CG2 4.45Å; L19-I35 HydrophobicContact CG-CG2 4.3Å; F22-I35 HydrophobicContact CD1-CD1 3.55Å; F22-I35 HydrophobicContact CE1-CD1 3.44Å; F22-I35 VanDerWaalsContact CE1-CD1 3.44Å; R23-I35 HydrophobicContact CG-CB 4.3Å; R23-I35 HydrophobicContact CG-CG2 3.75Å; D27-I35 PolarHBondContact O-N 2.85Å; D29-I35 HydrophobicContact CB-CD1 3.7Å; D29-I35 HydrophobicContact CB-CG1 3.73Å; D29-I35 VanDerWaalsContact N-CG1 3.33Å; K33-I35 PolarHBondContact O-N 3.31Å | ||
| 36 | G | 69.6 | Low | 76.9 | Confident | 10 Ų | 10 | 74 Ų | 74 | 10% | 0.103 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -73 | 136.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | D27 R38 A39 S40 | D27-G36 PolarHBondContact O-N 2.93Å; G36-R38 PolarHBondContact O-N 2.97Å; G36-A39 WeakPolarHBondContact O-CA 3.26Å; G36-A39 WeakPolarHBondContact O-CB 3.46Å; G36-A39 PolarHBondContact O-N 3.19Å; G36-S40 PolarHBondContact O-N 3.31Å; G36-S40 PolarHBondContact O-OG 2.95Å |
| 37 | L | 68.5 | Low | 76.4 | Confident | 122 Ų | 122 | 69.9 Ų | 69.9 | 64% | 0.639 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -48.5 | -38.2 | 176.3 | -74 | 163.9 | 0 | 0 | 0 | 112.3 | F41 Y48 | L37-F41 WeakPolarHBondContact O-CB 3.5Å; L37-F41 PolarHBondContact O-N 3.03Å; L37-F41 VanDerWaalsContact O-N 3.08Å; L37-Y48 HydrophobicContact CD2-CE2 3.9Å |
| 38 | R | 71.4 | Confident | 75.9 | Confident | 180 Ų | 180 | 69.8 Ų | 69.8 | 68% | 0.679 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -67.6 | -43.6 | 177 | -173 | -177.4 | -177.6 | -168.7 | 0.6 | 112.5 | G36 F41 L42 | G36-R38 PolarHBondContact O-N 2.97Å; R38-F41 PolarHBondContact O-N 3.48Å; R38-L42 HydrophobicContact CG-CD1 4.12Å; R38-L42 WeakPolarHBondContact O-CB 3.49Å; R38-L42 VanDerWaalsContact O-CG 3.26Å; R38-L42 WeakPolarHBondContact O-CG 3.3Å; R38-L42 PolarHBondContact O-N 3.43Å |
| 39 | A | 70.9 | Confident | 75.4 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.008 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.9 | -43 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D27 Y28 A34 G36 F41 L42 Q43 | D27-A39 HydrophobicContact CB-CB 4.07Å; Y28-A39 HydrophobicContact CE1-CB 3.98Å; Y28-A39 HydrophobicContact CE2-CB 4.11Å; A34-A39 HydrophobicContact CB-CB 3.63Å; G36-A39 WeakPolarHBondContact O-CA 3.26Å; G36-A39 WeakPolarHBondContact O-CB 3.46Å; G36-A39 PolarHBondContact O-N 3.19Å; A39-F41 VanDerWaalsContact C-N 3.33Å; A39-F41 PolarHBondContact O-N 3.08Å; A39-L42 PolarHBondContact O-N 2.96Å; A39-Q43 WeakPolarHBondContact O-CB 3.49Å; A39-Q43 PolarHBondContact O-N 2.89Å |
| 40 | S | 67.3 | Low | 75.1 | Confident | 41 Ų | 41 | 74.6 Ų | 74.6 | 29% | 0.287 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 176.1 | -47.8 | 0 | 0 | 0 | 0 | 111.7 | A34 G36 Q43 N44 | A34-S40 PolarHBondContact O-OG 2.9Å; G36-S40 PolarHBondContact O-N 3.31Å; G36-S40 PolarHBondContact O-OG 2.95Å; S40-Q43 PolarHBondContact O-N 3.05Å; S40-N44 PolarHBondContact O-N 3.24Å; S40-N44 VanDerWaalsContact O-N 3.08Å |
| 41 | F | 72.9 | Confident | 74.6 | Confident | 92 Ų | 92 | 74.5 Ų | 74.5 | 40% | 0.404 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 173.7 | 178.6 | -98.5 | 0 | 0 | 0 | 113.1 | L37 R38 A39 P45 Y48 | L37-F41 WeakPolarHBondContact O-CB 3.5Å; L37-F41 PolarHBondContact O-N 3.03Å; L37-F41 VanDerWaalsContact O-N 3.08Å; R38-F41 PolarHBondContact O-N 3.48Å; A39-F41 VanDerWaalsContact C-N 3.33Å; A39-F41 PolarHBondContact O-N 3.08Å; F41-P45 HydrophobicContact CD2-CB 4.11Å; F41-P45 HydrophobicContact CE2-CB 3.84Å; F41-P45 HydrophobicContact CZ-CB 4.13Å; F41-P45 VanDerWaalsContact O-CA 3.26Å; F41-P45 WeakPolarHBondContact O-CA 3.16Å; F41-P45 WeakPolarHBondContact O-CB 3.33Å; F41-P45 VanDerWaalsContact O-CD 3.28Å; F41-P45 WeakPolarHBondContact O-CD 3.2Å; F41-P45 VanDerWaalsContact O-N 3.11Å; F41-Y48 HydrophobicContact CB-CD1 4.37Å; F41-Y48 HydrophobicContact CB-CG 4.26Å; F41-Y48 AromaticContact CD2-CD1 3.66Å; F41-Y48 HydrophobicContact CD2-CD1 3.66Å; F41-Y48 HydrophobicContact CD2-CE1 4.22Å; F41-Y48 HydrophobicContact CD2-CG 4.18Å; F41-Y48 HydrophobicContact CG-CD1 4.49Å |
| 42 | L | 78.3 | Confident | 74.2 | Confident | 115 Ų | 115 | 72.1 Ų | 72.1 | 60% | 0.602 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -70.6 | -34.3 | 178.3 | -73.8 | 170.6 | 0 | 0 | 0 | 112.8 | R38 A39 | R38-L42 HydrophobicContact CG-CD1 4.12Å; R38-L42 WeakPolarHBondContact O-CB 3.49Å; R38-L42 VanDerWaalsContact O-CG 3.26Å; R38-L42 WeakPolarHBondContact O-CG 3.3Å; R38-L42 PolarHBondContact O-N 3.43Å; A39-L42 PolarHBondContact O-N 2.96Å |
| 43 | Q | 73.8 | Confident | 74.2 | Confident | 131 Ų | 131 | 74.3 Ų | 74.3 | 61% | 0.612 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -77 | -39.6 | -179.2 | -168.9 | 174.7 | 17.3 | 0 | 0 | 112.3 | A39 S40 | A39-Q43 WeakPolarHBondContact O-CB 3.49Å; A39-Q43 PolarHBondContact O-N 2.89Å; S40-Q43 PolarHBondContact O-N 3.05Å |
| 44 | N | 74.5 | Confident | 74.2 | Confident | 87 Ų | 87 | 77.5 Ų | 77.5 | 47% | 0.465 | 41% | 0.406 | S | S | . | . | trans | -149.8 | 86.3 | 175.2 | -172.2 | -5.8 | 0 | 0 | 0 | 111.5 | S40 A46 G47 Y48 | S40-N44 PolarHBondContact O-N 3.24Å; S40-N44 VanDerWaalsContact O-N 3.08Å; N44-A46 VanDerWaalsContact C-N 3.26Å; N44-A46 PolarHBondContact O-N 2.87Å; N44-A46 PolarHBondContact OD1-N 2.97Å; N44-G47 PolarHBondContact O-N 2.92Å; N44-G47 PolarHBondContact OD1-N 3.12Å; N44-Y48 WeakPolarHBondContact O-CB 3.38Å; N44-Y48 PolarHBondContact O-N 2.63Å | ||
| 45 | P | 76.1 | Confident | 74.3 | Confident | 60 Ų | 60 | 83.4 Ų | 83.4 | 39% | 0.39 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.3 | -30.8 | -177.3 | 24.6 | -33.2 | 0 | 0 | 0 | 112.4 | F41 L49 | F41-P45 HydrophobicContact CD2-CB 4.11Å; F41-P45 HydrophobicContact CE2-CB 3.84Å; F41-P45 HydrophobicContact CZ-CB 4.13Å; F41-P45 VanDerWaalsContact O-CA 3.26Å; F41-P45 WeakPolarHBondContact O-CA 3.16Å; F41-P45 WeakPolarHBondContact O-CB 3.33Å; F41-P45 VanDerWaalsContact O-CD 3.28Å; F41-P45 WeakPolarHBondContact O-CD 3.2Å; F41-P45 VanDerWaalsContact O-N 3.11Å; P45-L49 WeakPolarHBondContact O-CB 3.33Å; P45-L49 VanDerWaalsContact O-CG 3.26Å; P45-L49 WeakPolarHBondContact O-CG 3.29Å; P45-L49 PolarHBondContact O-N 2.87Å |
| 46 | A | 77.4 | Confident | 74.4 | Confident | 69 Ų | 69 | 85.9 Ų | 85.9 | 57% | 0.57 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -71 | -45.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N44 L49 H50 | N44-A46 VanDerWaalsContact C-N 3.26Å; N44-A46 PolarHBondContact O-N 2.87Å; N44-A46 PolarHBondContact OD1-N 2.97Å; A46-L49 PolarHBondContact O-N 3.44Å; A46-H50 WeakPolarHBondContact O-CB 3.43Å; A46-H50 PolarHBondContact O-N 3.47Å |
| 47 | G | 74.1 | Confident | 74.9 | Confident | 31 Ų | 31 | 88.9 Ų | 88.9 | 32% | 0.32 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N44 H50 N51 | N44-G47 PolarHBondContact O-N 2.92Å; N44-G47 PolarHBondContact OD1-N 3.12Å; G47-H50 PolarHBondContact O-N 3.35Å; G47-N51 PolarHBondContact O-N 3.11Å |
| 48 | Y | 71.1 | Confident | 75.5 | Confident | 68 Ų | 68 | 89 Ų | 89 | 27% | 0.267 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.2 | -48 | 173.3 | 178.9 | -92.2 | 0 | 0 | 0 | 111.9 | L37 F41 N44 H50 N51 L52 | L37-Y48 HydrophobicContact CD2-CE2 3.9Å; F41-Y48 HydrophobicContact CB-CD1 4.37Å; F41-Y48 HydrophobicContact CB-CG 4.26Å; F41-Y48 AromaticContact CD2-CD1 3.66Å; F41-Y48 HydrophobicContact CD2-CD1 3.66Å; F41-Y48 HydrophobicContact CD2-CE1 4.22Å; F41-Y48 HydrophobicContact CD2-CG 4.18Å; F41-Y48 HydrophobicContact CG-CD1 4.49Å; N44-Y48 WeakPolarHBondContact O-CB 3.38Å; N44-Y48 PolarHBondContact O-N 2.63Å; Y48-H50 VanDerWaalsContact C-N 3.34Å; Y48-H50 PolarHBondContact O-N 2.96Å; Y48-N51 PolarHBondContact O-N 3.15Å; Y48-L52 HydrophobicContact CD1-CD1 4.49Å; Y48-L52 HydrophobicContact CE1-CD1 3.58Å; Y48-L52 WeakPolarHBondContact O-CB 3.22Å; Y48-L52 PolarHBondContact O-N 2.79Å |
| 49 | L | 74.6 | Confident | 76 | Confident | 90 Ų | 90 | 86.4 Ų | 86.4 | 47% | 0.471 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.6 | -40.1 | 176.8 | -75.3 | 170.8 | 0 | 0 | 0 | 111.9 | P45 A46 L52 I53 | P45-L49 WeakPolarHBondContact O-CB 3.33Å; P45-L49 VanDerWaalsContact O-CG 3.26Å; P45-L49 WeakPolarHBondContact O-CG 3.29Å; P45-L49 PolarHBondContact O-N 2.87Å; A46-L49 PolarHBondContact O-N 3.44Å; L49-L52 PolarHBondContact O-N 3.33Å; L49-I53 WeakPolarHBondContact O-CB 3.37Å; L49-I53 WeakPolarHBondContact O-CD1 3.22Å; L49-I53 WeakPolarHBondContact O-CG1 3.31Å; L49-I53 PolarHBondContact O-N 2.87Å |
| 50 | H | 78.6 | Confident | 76.6 | Confident | 123 Ų | 123 | 90.8 Ų | 90.8 | 57% | 0.569 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.3 | -49 | 176 | -169.6 | -43.8 | 0 | 0 | 0 | 111.6 | A46 G47 Y48 L52 I53 E54 | A46-H50 WeakPolarHBondContact O-CB 3.43Å; A46-H50 PolarHBondContact O-N 3.47Å; G47-H50 PolarHBondContact O-N 3.35Å; Y48-H50 VanDerWaalsContact C-N 3.34Å; Y48-H50 PolarHBondContact O-N 2.96Å; H50-L52 VanDerWaalsContact C-N 3.35Å; H50-L52 PolarHBondContact O-N 2.97Å; H50-I53 PolarHBondContact O-N 3.43Å; H50-E54 IonicContact CE1-OE2 3.46Å; H50-E54 PolarHBondContact CE1-OE2 3.08Å; H50-E54 IonicContact ND1-OE2 3.43Å; H50-E54 PolarHBondContact ND1-OE2 3.22Å; H50-E54 VanDerWaalsContact O-CB 3.3Å; H50-E54 WeakPolarHBondContact O-CB 3.36Å; H50-E54 PolarHBondContact O-N 3.11Å |
| 51 | N | 73.6 | Confident | 77.5 | Confident | 103 Ų | 103 | 93.9 Ų | 93.9 | 55% | 0.551 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.9 | -39.3 | 179.5 | -168.2 | 7.4 | 0 | 0 | 0 | 111.6 | G47 Y48 E54 Q55 | G47-N51 PolarHBondContact O-N 3.11Å; Y48-N51 PolarHBondContact O-N 3.15Å; N51-E54 PolarHBondContact O-N 2.93Å; N51-Q55 VanDerWaalsContact O-CB 3.29Å; N51-Q55 WeakPolarHBondContact O-CB 3.3Å; N51-Q55 PolarHBondContact O-N 3.05Å |
| 52 | L | 74.6 | Confident | 78.2 | Confident | 61 Ų | 61 | 95.3 Ų | 95.3 | 32% | 0.319 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 176 | -164.8 | 157.3 | 0 | 0 | 0 | 111.5 | Y48 L49 H50 H56 | Y48-L52 HydrophobicContact CD1-CD1 4.49Å; Y48-L52 HydrophobicContact CE1-CD1 3.58Å; Y48-L52 WeakPolarHBondContact O-CB 3.22Å; Y48-L52 PolarHBondContact O-N 2.79Å; L49-L52 PolarHBondContact O-N 3.33Å; H50-L52 VanDerWaalsContact C-N 3.35Å; H50-L52 PolarHBondContact O-N 2.97Å; L52-H56 WeakPolarHBondContact O-CB 3.28Å; L52-H56 PolarHBondContact O-N 2.98Å; L52-H56 PolarHBondContact O-ND1 3.15Å |
| 53 | I | 79 | Confident | 78.8 | Confident | 88 Ų | 88 | 93.9 Ų | 93.9 | 45% | 0.451 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.7 | -46.8 | 174 | -71.6 | 163.8 | 0 | 0 | 0 | 110.4 | L49 H50 H56 T57 | L49-I53 WeakPolarHBondContact O-CB 3.37Å; L49-I53 WeakPolarHBondContact O-CD1 3.22Å; L49-I53 WeakPolarHBondContact O-CG1 3.31Å; L49-I53 PolarHBondContact O-N 2.87Å; H50-I53 PolarHBondContact O-N 3.43Å; I53-H56 CarbonylContact O-C 3.43Å; I53-H56 PolarHBondContact O-N 3.41Å; I53-T57 WeakPolarHBondContact O-CA 3.26Å; I53-T57 WeakPolarHBondContact O-CB 3.39Å; I53-T57 PolarHBondContact O-N 3.38Å; I53-T57 PolarHBondContact O-OG1 3.36Å |
| 54 | E | 78.7 | Confident | 79.5 | Confident | 127 Ų | 127 | 91.1 Ų | 91.1 | 59% | 0.593 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62 | -48.9 | -179.4 | -172.9 | 167 | -179.1 | 0 | 0 | 111.5 | H50 N51 H56 T57 | H50-E54 IonicContact CE1-OE2 3.46Å; H50-E54 PolarHBondContact CE1-OE2 3.08Å; H50-E54 IonicContact ND1-OE2 3.43Å; H50-E54 PolarHBondContact ND1-OE2 3.22Å; H50-E54 VanDerWaalsContact O-CB 3.3Å; H50-E54 WeakPolarHBondContact O-CB 3.36Å; H50-E54 PolarHBondContact O-N 3.11Å; N51-E54 PolarHBondContact O-N 2.93Å; E54-H56 VanDerWaalsContact C-N 3.33Å; E54-H56 PolarHBondContact O-N 3.05Å; E54-T57 PolarHBondContact O-OG1 3.07Å |
| 55 | Q | 79.2 | Confident | 80.3 | Confident | 145 Ų | 145 | 92 Ų | 92 | 68% | 0.678 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.5 | -35.8 | 176.8 | -173.4 | 178.8 | 12.4 | 0 | 0 | 113.1 | N51 | N51-Q55 VanDerWaalsContact O-CB 3.29Å; N51-Q55 WeakPolarHBondContact O-CB 3.3Å; N51-Q55 PolarHBondContact O-N 3.05Å |
| 56 | H | 78.7 | Confident | 81.1 | Confident | 60 Ų | 60 | 94 Ų | 94 | 28% | 0.278 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 17.8 | -175.1 | -57.3 | 74.6 | 0 | 0 | 0 | 113.3 | L52 I53 E54 I58 E59 L60 | L52-H56 WeakPolarHBondContact O-CB 3.28Å; L52-H56 PolarHBondContact O-N 2.98Å; L52-H56 PolarHBondContact O-ND1 3.15Å; I53-H56 CarbonylContact O-C 3.43Å; I53-H56 PolarHBondContact O-N 3.41Å; E54-H56 VanDerWaalsContact C-N 3.33Å; E54-H56 PolarHBondContact O-N 3.05Å; H56-I58 PolarHBondContact O-N 3.19Å; H56-I58 VanDerWaalsContact O-N 3.15Å; H56-E59 IonicContact CD2-OE2 3.56Å; H56-E59 PolarHBondContact O-N 2.92Å; H56-E59 VanDerWaalsContact O-N 3.09Å; H56-L60 WeakPolarHBondContact O-CB 3.3Å; H56-L60 PolarHBondContact O-N 2.76Å |
| 57 | T | 79.9 | Confident | 81.8 | Confident | 73 Ų | 73 | 94.2 Ų | 94.2 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -55.2 | -40.8 | -174 | -73.3 | 0 | 0 | 0 | 0 | 111.7 | I53 E54 L61 | I53-T57 WeakPolarHBondContact O-CA 3.26Å; I53-T57 WeakPolarHBondContact O-CB 3.39Å; I53-T57 PolarHBondContact O-N 3.38Å; I53-T57 PolarHBondContact O-OG1 3.36Å; E54-T57 PolarHBondContact O-OG1 3.07Å; T57-L61 VanDerWaalsContact O-CB 3.3Å; T57-L61 WeakPolarHBondContact O-CB 3.44Å; T57-L61 PolarHBondContact O-N 3.15Å |
| 58 | I | 80.7 | Confident | 82.7 | Confident | 124 Ų | 124 | 98.3 Ų | 98.3 | 64% | 0.636 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.3 | -47.7 | 179.3 | -61.4 | 173.6 | 0 | 0 | 0 | 110.9 | H56 L60 L61 F62 | H56-I58 PolarHBondContact O-N 3.19Å; H56-I58 VanDerWaalsContact O-N 3.15Å; I58-L60 VanDerWaalsContact C-N 3.34Å; I58-L60 PolarHBondContact O-N 3.44Å; I58-L61 PolarHBondContact O-N 2.96Å; I58-F62 HydrophobicContact CG2-CD2 3.82Å; I58-F62 HydrophobicContact CG2-CE2 3.8Å; I58-F62 VanDerWaalsContact O-CD2 3.31Å; I58-F62 WeakPolarHBondContact O-CD2 3.39Å; I58-F62 PolarHBondContact O-N 2.89Å |
| 59 | E | 82.8 | Confident | 83.8 | Confident | 126 Ų | 126 | 97 Ų | 97 | 59% | 0.589 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.1 | -37.9 | 179.3 | -63.4 | -171.5 | 178.6 | 0 | 0 | 112.3 | H56 F62 T63 | H56-E59 IonicContact CD2-OE2 3.56Å; H56-E59 PolarHBondContact O-N 2.92Å; H56-E59 VanDerWaalsContact O-N 3.09Å; E59-F62 PolarHBondContact O-N 3.33Å; E59-T63 VanDerWaalsContact O-CB 3.3Å; E59-T63 WeakPolarHBondContact O-CB 3.31Å; E59-T63 PolarHBondContact O-N 2.61Å; E59-T63 PolarHBondContact O-OG1 2.9Å |
| 60 | L | 83.1 | Confident | 84.7 | Confident | 92 Ų | 92 | 98 Ų | 98 | 48% | 0.482 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70 | -37.3 | 178.2 | -155.8 | 152.9 | 0 | 0 | 0 | 110.9 | H56 I58 S64 | H56-L60 WeakPolarHBondContact O-CB 3.3Å; H56-L60 PolarHBondContact O-N 2.76Å; I58-L60 VanDerWaalsContact C-N 3.34Å; I58-L60 PolarHBondContact O-N 3.44Å; L60-S64 WeakPolarHBondContact O-CB 3.24Å; L60-S64 PolarHBondContact O-N 3.34Å |
| 61 | L | 86 | Confident | 85.4 | Confident | 107 Ų | 107 | 98.3 Ų | 98.3 | 56% | 0.56 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63 | -48.9 | 171.1 | -170.1 | 161.3 | 0 | 0 | 0 | 111.3 | T57 I58 T63 S64 L65 | T57-L61 VanDerWaalsContact O-CB 3.3Å; T57-L61 WeakPolarHBondContact O-CB 3.44Å; T57-L61 PolarHBondContact O-N 3.15Å; I58-L61 PolarHBondContact O-N 2.96Å; L61-T63 PolarHBondContact O-N 3.43Å; L61-S64 PolarHBondContact O-N 3.36Å; L61-L65 WeakPolarHBondContact O-CB 3.41Å; L61-L65 PolarHBondContact O-N 3.49Å |
| 62 | F | 88.2 | Confident | 86.3 | Confident | 122 Ų | 122 | 97.2 Ų | 97.2 | 54% | 0.535 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 176.2 | -87.7 | -70.3 | 0 | 0 | 0 | 112.3 | I58 E59 L65 I66 | I58-F62 HydrophobicContact CG2-CD2 3.82Å; I58-F62 HydrophobicContact CG2-CE2 3.8Å; I58-F62 VanDerWaalsContact O-CD2 3.31Å; I58-F62 WeakPolarHBondContact O-CD2 3.39Å; I58-F62 PolarHBondContact O-N 2.89Å; E59-F62 PolarHBondContact O-N 3.33Å; F62-L65 PolarHBondContact O-N 2.74Å; F62-I66 WeakPolarHBondContact O-CD1 3.47Å; F62-I66 VanDerWaalsContact O-CG1 3.27Å; F62-I66 WeakPolarHBondContact O-CG1 3.42Å; F62-I66 PolarHBondContact O-N 3.18Å |
| 63 | T | 89.3 | Confident | 87.1 | Confident | 84 Ų | 84 | 96.2 Ų | 96.2 | 52% | 0.515 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 177.8 | -57.5 | 0 | 0 | 0 | 0 | 110.8 | E59 L61 L65 I66 C67 | E59-T63 VanDerWaalsContact O-CB 3.3Å; E59-T63 WeakPolarHBondContact O-CB 3.31Å; E59-T63 PolarHBondContact O-N 2.61Å; E59-T63 PolarHBondContact O-OG1 2.9Å; L61-T63 PolarHBondContact O-N 3.43Å; T63-L65 PolarHBondContact O-N 2.85Å; T63-I66 PolarHBondContact O-N 3.18Å; T63-C67 WeakPolarHBondContact O-CB 3.24Å; T63-C67 PolarHBondContact O-N 2.88Å; T63-C67 PolarHBondContact O-SG 2.73Å; T63-C67 VanDerWaalsContact O-SG 3.34Å |
| 64 | S | 89.7 | Confident | 87.7 | Confident | 74 Ų | 74 | 95.5 Ų | 95.5 | 52% | 0.517 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 174.9 | -175.2 | 0 | 0 | 0 | 0 | 112.1 | L60 L61 I66 C67 F68 | L60-S64 WeakPolarHBondContact O-CB 3.24Å; L60-S64 PolarHBondContact O-N 3.34Å; L61-S64 PolarHBondContact O-N 3.36Å; S64-I66 PolarHBondContact O-N 3.33Å; S64-C67 PolarHBondContact O-N 3.47Å; S64-F68 VanDerWaalsContact O-CB 3.3Å; S64-F68 WeakPolarHBondContact O-CB 3.34Å; S64-F68 PolarHBondContact O-N 2.87Å |
| 65 | L | 91.1 | Very high | 88.3 | Confident | 104 Ų | 104 | 92.8 Ų | 92.8 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 177.3 | -171.4 | 70 | 0 | 0 | 0 | 112 | L61 F62 T63 F68 G69 | L61-L65 WeakPolarHBondContact O-CB 3.41Å; L61-L65 PolarHBondContact O-N 3.49Å; F62-L65 PolarHBondContact O-N 2.74Å; T63-L65 PolarHBondContact O-N 2.85Å; L65-F68 PolarHBondContact O-N 3.09Å; L65-G69 PolarHBondContact O-N 3.14Å |
| 66 | I | 92.4 | Very high | 88.8 | Confident | 102 Ų | 102 | 90.2 Ų | 90.2 | 52% | 0.523 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.4 | -47.8 | 175.6 | -68.4 | 163.1 | 0 | 0 | 0 | 110.4 | F62 T63 S64 F68 G69 I70 | F62-I66 WeakPolarHBondContact O-CD1 3.47Å; F62-I66 VanDerWaalsContact O-CG1 3.27Å; F62-I66 WeakPolarHBondContact O-CG1 3.42Å; F62-I66 PolarHBondContact O-N 3.18Å; T63-I66 PolarHBondContact O-N 3.18Å; S64-I66 PolarHBondContact O-N 3.33Å; I66-F68 VanDerWaalsContact C-N 3.32Å; I66-F68 PolarHBondContact O-N 3.02Å; I66-G69 PolarHBondContact O-N 2.97Å; I66-I70 HydrophobicContact CG2-CD1 3.87Å; I66-I70 WeakPolarHBondContact O-CG1 3.2Å; I66-I70 PolarHBondContact O-N 3.01Å |
| 67 | C | 93.1 | Very high | 89.3 | Confident | 75 Ų | 75 | 92.3 Ų | 92.3 | 51% | 0.507 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.6 | -41.5 | 176.3 | -72.7 | 0 | 0 | 0 | 0 | 112.2 | T63 S64 I70 F71 | T63-C67 WeakPolarHBondContact O-CB 3.24Å; T63-C67 PolarHBondContact O-N 2.88Å; T63-C67 PolarHBondContact O-SG 2.73Å; T63-C67 VanDerWaalsContact O-SG 3.34Å; S64-C67 PolarHBondContact O-N 3.47Å; C67-I70 PolarHBondContact O-N 3.24Å; C67-F71 WeakPolarHBondContact O-CB 3.44Å; C67-F71 PolarHBondContact O-N 3.4Å |
| 68 | F | 93 | Very high | 89.8 | Confident | 116 Ų | 116 | 94 Ų | 94 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 176.1 | -175.2 | -108.5 | 0 | 0 | 0 | 112.2 | S64 L65 I66 F71 L72 | S64-F68 VanDerWaalsContact O-CB 3.3Å; S64-F68 WeakPolarHBondContact O-CB 3.34Å; S64-F68 PolarHBondContact O-N 2.87Å; L65-F68 PolarHBondContact O-N 3.09Å; I66-F68 VanDerWaalsContact C-N 3.32Å; I66-F68 PolarHBondContact O-N 3.02Å; F68-F71 PolarHBondContact O-N 3.46Å; F68-L72 HydrophobicContact CD1-CD1 3.94Å; F68-L72 HydrophobicContact CD1-CG 4.41Å; F68-L72 HydrophobicContact CE1-CD1 3.42Å; F68-L72 VanDerWaalsContact CE1-CD1 3.42Å; F68-L72 HydrophobicContact CE1-CG 4.07Å; F68-L72 HydrophobicContact CE2-CG 4.42Å; F68-L72 HydrophobicContact CZ-CD1 3.79Å; F68-L72 HydrophobicContact CZ-CD2 4.28Å; F68-L72 HydrophobicContact CZ-CG 4.07Å; F68-L72 WeakPolarHBondContact O-CG 3.3Å; F68-L72 PolarHBondContact O-N 3.22Å |
| 69 | G | 93 | Very high | 89.9 | Confident | 41 Ų | 41 | 94 Ų | 94 | 42% | 0.423 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L65 I66 G73 | L65-G69 PolarHBondContact O-N 3.14Å; I66-G69 PolarHBondContact O-N 2.97Å; G69-G73 PolarHBondContact O-N 3.04Å |
| 70 | I | 94.4 | Very high | 90.1 | Very high | 110 Ų | 110 | 91.9 Ų | 91.9 | 56% | 0.564 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.4 | -45.9 | 173.9 | -67.6 | 165.2 | 0 | 0 | 0 | 110.4 | I66 C67 G73 V74 | I66-I70 HydrophobicContact CG2-CD1 3.87Å; I66-I70 WeakPolarHBondContact O-CG1 3.2Å; I66-I70 PolarHBondContact O-N 3.01Å; C67-I70 PolarHBondContact O-N 3.24Å; I70-G73 PolarHBondContact O-N 3.31Å; I70-V74 WeakPolarHBondContact O-CG2 3.27Å; I70-V74 PolarHBondContact O-N 2.89Å |
| 71 | F | 93.4 | Very high | 90.3 | Very high | 131 Ų | 131 | 91.2 Ų | 91.2 | 58% | 0.575 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.6 | -48.9 | 178.3 | 177.5 | -97.7 | 0 | 0 | 0 | 112.1 | C67 F68 G73 V74 V75 | C67-F71 WeakPolarHBondContact O-CB 3.44Å; C67-F71 PolarHBondContact O-N 3.4Å; F68-F71 PolarHBondContact O-N 3.46Å; F71-G73 VanDerWaalsContact C-N 3.33Å; F71-G73 PolarHBondContact O-N 3.42Å; F71-V74 PolarHBondContact O-N 3.08Å; F71-V75 HydrophobicContact CD1-CG2 4.4Å; F71-V75 HydrophobicContact CE1-CG2 4.01Å; F71-V75 HydrophobicContact CE2-CG2 4.43Å; F71-V75 HydrophobicContact CZ-CG2 4.03Å; F71-V75 WeakPolarHBondContact O-CG2 3.29Å; F71-V75 PolarHBondContact O-N 3.28Å |
| 72 | L | 91.1 | Very high | 90.2 | Very high | 79 Ų | 79 | 93.8 Ų | 93.8 | 41% | 0.414 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.1 | -42.4 | 174.4 | -73.4 | -178.5 | 0 | 0 | 0 | 111.9 | F68 V74 V75 V76 | F68-L72 HydrophobicContact CD1-CD1 3.94Å; F68-L72 HydrophobicContact CD1-CG 4.41Å; F68-L72 HydrophobicContact CE1-CD1 3.42Å; F68-L72 VanDerWaalsContact CE1-CD1 3.42Å; F68-L72 HydrophobicContact CE1-CG 4.07Å; F68-L72 HydrophobicContact CE2-CG 4.42Å; F68-L72 HydrophobicContact CZ-CD1 3.79Å; F68-L72 HydrophobicContact CZ-CD2 4.28Å; F68-L72 HydrophobicContact CZ-CG 4.07Å; F68-L72 WeakPolarHBondContact O-CG 3.3Å; F68-L72 PolarHBondContact O-N 3.22Å; L72-V74 VanDerWaalsContact C-N 3.34Å; L72-V74 PolarHBondContact O-N 3.5Å; L72-V75 PolarHBondContact O-N 2.85Å; L72-V76 WeakPolarHBondContact O-CG2 3.34Å; L72-V76 PolarHBondContact O-N 3.03Å |
| 73 | G | 91.7 | Very high | 89.9 | Confident | 40 Ų | 40 | 93.2 Ų | 93.2 | 41% | 0.412 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.3 | -44.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G69 I70 F71 L77 | G69-G73 PolarHBondContact O-N 3.04Å; I70-G73 PolarHBondContact O-N 3.31Å; F71-G73 VanDerWaalsContact C-N 3.33Å; F71-G73 PolarHBondContact O-N 3.42Å; G73-L77 WeakPolarHBondContact O-CB 3.5Å; G73-L77 PolarHBondContact O-N 2.93Å |
| 74 | V | 92.4 | Very high | 89.6 | Confident | 74 Ų | 74 | 95.4 Ų | 95.4 | 45% | 0.448 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 175.1 | 172.1 | 0 | 0 | 0 | 0 | 111.5 | I70 F71 L72 L77 L78 | I70-V74 WeakPolarHBondContact O-CG2 3.27Å; I70-V74 PolarHBondContact O-N 2.89Å; F71-V74 PolarHBondContact O-N 3.08Å; L72-V74 VanDerWaalsContact C-N 3.34Å; L72-V74 PolarHBondContact O-N 3.5Å; V74-L77 PolarHBondContact O-N 3.44Å; V74-L78 HydrophobicContact CG1-CD1 4.03Å; V74-L78 HydrophobicContact CG1-CG 4.42Å; V74-L78 WeakPolarHBondContact O-CB 3.43Å; V74-L78 VanDerWaalsContact O-CG 3.29Å; V74-L78 WeakPolarHBondContact O-CG 3.38Å; V74-L78 PolarHBondContact O-N 3.47Å |
| 75 | V | 90.4 | Very high | 89.4 | Confident | 70 Ų | 70 | 96.4 Ų | 96.4 | 42% | 0.424 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 178.6 | 172 | 0 | 0 | 0 | 0 | 111.5 | F71 L72 L78 F79 | F71-V75 HydrophobicContact CD1-CG2 4.4Å; F71-V75 HydrophobicContact CE1-CG2 4.01Å; F71-V75 HydrophobicContact CE2-CG2 4.43Å; F71-V75 HydrophobicContact CZ-CG2 4.03Å; F71-V75 WeakPolarHBondContact O-CG2 3.29Å; F71-V75 PolarHBondContact O-N 3.28Å; L72-V75 PolarHBondContact O-N 2.85Å; V75-L78 PolarHBondContact O-N 3.36Å; V75-F79 PolarHBondContact O-N 2.89Å |
| 76 | V | 89.9 | Confident | 88.8 | Confident | 91 Ų | 91 | 94.4 Ų | 94.4 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.7 | -43.8 | 176 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | L72 L78 F79 V80 | L72-V76 WeakPolarHBondContact O-CG2 3.34Å; L72-V76 PolarHBondContact O-N 3.03Å; V76-L78 PolarHBondContact O-N 3.1Å; V76-F79 WeakPolarHBondContact O-CB 3.44Å; V76-F79 PolarHBondContact O-N 3.39Å; V76-V80 HydrophobicContact CG1-CG2 4.39Å; V76-V80 WeakPolarHBondContact O-CG2 3.48Å; V76-V80 PolarHBondContact O-N 3.07Å |
| 77 | L | 89.8 | Confident | 88.2 | Confident | 103 Ų | 103 | 94.7 Ų | 94.7 | 54% | 0.539 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60 | -44.2 | 177.2 | -178.5 | 64 | 0 | 0 | 0 | 111.7 | G73 V74 F79 V80 L81 | G73-L77 WeakPolarHBondContact O-CB 3.5Å; G73-L77 PolarHBondContact O-N 2.93Å; V74-L77 PolarHBondContact O-N 3.44Å; L77-F79 VanDerWaalsContact C-N 3.32Å; L77-F79 PolarHBondContact O-N 3.07Å; L77-V80 PolarHBondContact O-N 2.93Å; L77-L81 HydrophobicContact CD1-CD1 4.3Å; L77-L81 HydrophobicContact CD1-CG 4.34Å; L77-L81 HydrophobicContact CG-CD1 3.95Å; L77-L81 HydrophobicContact CG-CG 4.43Å; L77-L81 WeakPolarHBondContact O-CB 3.35Å; L77-L81 VanDerWaalsContact O-CG 3.26Å; L77-L81 WeakPolarHBondContact O-CG 3.48Å; L77-L81 PolarHBondContact O-N 3.39Å |
| 78 | L | 89.8 | Confident | 87.7 | Confident | 109 Ų | 109 | 94.4 Ų | 94.4 | 57% | 0.571 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.5 | -39.2 | 175.4 | -72.1 | 171.5 | 0 | 0 | 0 | 112.1 | V74 V75 V76 K82 | V74-L78 HydrophobicContact CG1-CD1 4.03Å; V74-L78 HydrophobicContact CG1-CG 4.42Å; V74-L78 WeakPolarHBondContact O-CB 3.43Å; V74-L78 VanDerWaalsContact O-CG 3.29Å; V74-L78 WeakPolarHBondContact O-CG 3.38Å; V74-L78 PolarHBondContact O-N 3.47Å; V75-L78 PolarHBondContact O-N 3.36Å; V76-L78 PolarHBondContact O-N 3.1Å; L78-K82 WeakPolarHBondContact O-CB 3.43Å; L78-K82 PolarHBondContact O-N 3.02Å |
| 79 | F | 84.1 | Confident | 87.2 | Confident | 125 Ų | 125 | 95.7 Ų | 95.7 | 55% | 0.548 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 176.3 | -171.5 | -105.7 | 0 | 0 | 0 | 112.3 | V75 V76 L77 K82 K83 | V75-F79 PolarHBondContact O-N 2.89Å; V76-F79 WeakPolarHBondContact O-CB 3.44Å; V76-F79 PolarHBondContact O-N 3.39Å; L77-F79 VanDerWaalsContact C-N 3.32Å; L77-F79 PolarHBondContact O-N 3.07Å; F79-K82 PolarHBondContact O-N 3.02Å; F79-K83 HydrophobicContact CD1-CD 4.47Å; F79-K83 HydrophobicContact CE1-CD 4.08Å; F79-K83 VanDerWaalsContact CE1-CE 3.44Å; F79-K83 PolarHBondContact O-N 3.3Å |
| 80 | V | 85.4 | Confident | 86.4 | Confident | 81 Ų | 81 | 94.6 Ų | 94.6 | 49% | 0.491 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.1 | -45.5 | 175.2 | 173.2 | 0 | 0 | 0 | 0 | 111 | V76 L77 K82 K83 F84 | V76-V80 HydrophobicContact CG1-CG2 4.39Å; V76-V80 WeakPolarHBondContact O-CG2 3.48Å; V76-V80 PolarHBondContact O-N 3.07Å; L77-V80 PolarHBondContact O-N 2.93Å; V80-K82 PolarHBondContact O-N 3.16Å; V80-K83 PolarHBondContact O-N 3.21Å; V80-F84 WeakPolarHBondContact O-CB 3.48Å; V80-F84 PolarHBondContact O-N 3.13Å |
| 81 | L | 87.5 | Confident | 85.7 | Confident | 78 Ų | 78 | 94.3 Ų | 94.3 | 41% | 0.408 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 176.2 | -75.2 | 169.1 | 0 | 0 | 0 | 111.9 | L77 K83 F84 I85 | L77-L81 HydrophobicContact CD1-CD1 4.3Å; L77-L81 HydrophobicContact CD1-CG 4.34Å; L77-L81 HydrophobicContact CG-CD1 3.95Å; L77-L81 HydrophobicContact CG-CG 4.43Å; L77-L81 WeakPolarHBondContact O-CB 3.35Å; L77-L81 VanDerWaalsContact O-CG 3.26Å; L77-L81 WeakPolarHBondContact O-CG 3.48Å; L77-L81 PolarHBondContact O-N 3.39Å; L81-K83 PolarHBondContact O-N 2.71Å; L81-F84 PolarHBondContact O-N 2.91Å; L81-I85 WeakPolarHBondContact O-CB 3.25Å; L81-I85 VanDerWaalsContact O-CG1 3.28Å; L81-I85 WeakPolarHBondContact O-CG1 3.49Å; L81-I85 PolarHBondContact O-N 3.07Å |
| 82 | K | 85.2 | Confident | 85.3 | Confident | 161 Ų | 161 | 95.8 Ų | 95.8 | 70% | 0.7 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.7 | -42.9 | 176.2 | -172.5 | 175.8 | 179.8 | -180 | 0 | 111.8 | L78 F79 V80 H86 | L78-K82 WeakPolarHBondContact O-CB 3.43Å; L78-K82 PolarHBondContact O-N 3.02Å; F79-K82 PolarHBondContact O-N 3.02Å; V80-K82 PolarHBondContact O-N 3.16Å; K82-H86 PolarHBondContact O-N 3.19Å |
| 83 | K | 80.4 | Confident | 84.7 | Confident | 109 Ų | 109 | 94.5 Ų | 94.5 | 47% | 0.474 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.2 | -45.9 | 172.2 | -78 | -173.2 | 173 | -176.4 | 0 | 111.7 | F79 V80 L81 I85 H86 Y87 | F79-K83 HydrophobicContact CD1-CD 4.47Å; F79-K83 HydrophobicContact CE1-CD 4.08Å; F79-K83 VanDerWaalsContact CE1-CE 3.44Å; F79-K83 PolarHBondContact O-N 3.3Å; V80-K83 PolarHBondContact O-N 3.21Å; L81-K83 PolarHBondContact O-N 2.71Å; K83-I85 PolarHBondContact O-N 2.77Å; K83-H86 WeakPolarHBondContact O-CB 3.35Å; K83-H86 PolarHBondContact O-N 3.14Å; K83-H86 VanDerWaalsContact O-N 3.14Å; K83-Y87 HydrophobicContact CB-CE2 4.26Å; K83-Y87 WeakPolarHBondContact O-CD2 3.5Å; K83-Y87 PolarHBondContact O-N 3.15Å |
| 84 | F | 84.5 | Confident | 84 | Confident | 131 Ų | 131 | 95.9 Ų | 95.9 | 58% | 0.575 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.8 | -46.3 | -179.9 | -175.1 | -99.2 | 0 | 0 | 0 | 112.3 | V80 L81 H86 Y87 V88 | V80-F84 WeakPolarHBondContact O-CB 3.48Å; V80-F84 PolarHBondContact O-N 3.13Å; L81-F84 PolarHBondContact O-N 2.91Å; F84-H86 VanDerWaalsContact C-N 3.26Å; F84-H86 PolarHBondContact O-N 3.21Å; F84-Y87 PolarHBondContact O-N 3.44Å; F84-V88 HydrophobicContact CD1-CG2 4.02Å; F84-V88 HydrophobicContact CE1-CG2 3.63Å; F84-V88 HydrophobicContact CE2-CG2 4.36Å; F84-V88 HydrophobicContact CZ-CG2 3.82Å; F84-V88 WeakPolarHBondContact O-CG2 3.32Å; F84-V88 PolarHBondContact O-N 3.43Å |
| 85 | I | 85.5 | Confident | 83.5 | Confident | 94 Ų | 94 | 95.7 Ų | 95.7 | 48% | 0.482 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.9 | -38 | 175.3 | -68.2 | 163.3 | 0 | 0 | 0 | 111 | L81 K83 K89 | L81-I85 WeakPolarHBondContact O-CB 3.25Å; L81-I85 VanDerWaalsContact O-CG1 3.28Å; L81-I85 WeakPolarHBondContact O-CG1 3.49Å; L81-I85 PolarHBondContact O-N 3.07Å; K83-I85 PolarHBondContact O-N 2.77Å; I85-K89 WeakPolarHBondContact O-CG 3.49Å; I85-K89 PolarHBondContact O-N 2.98Å |
| 86 | H | 78.2 | Confident | 83.2 | Confident | 62 Ų | 62 | 98.7 Ų | 98.7 | 29% | 0.287 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.5 | -47.9 | 174.8 | -174.2 | 53.1 | 0 | 0 | 0 | 111.7 | K82 K83 F84 V88 K89 L90 Q133 | K82-H86 PolarHBondContact O-N 3.19Å; K83-H86 WeakPolarHBondContact O-CB 3.35Å; K83-H86 PolarHBondContact O-N 3.14Å; K83-H86 VanDerWaalsContact O-N 3.14Å; F84-H86 VanDerWaalsContact C-N 3.26Å; F84-H86 PolarHBondContact O-N 3.21Å; H86-V88 PolarHBondContact O-N 3.24Å; H86-K89 PolarHBondContact O-N 3.44Å; H86-L90 WeakPolarHBondContact O-CG 3.47Å; H86-L90 PolarHBondContact O-N 3.44Å; H86-Q133 PolarHBondContact CE1-NE2 2.96Å; H86-Q133 PolarHBondContact NE2-NE2 2.91Å |
| 87 | Y | 78.4 | Confident | 82.6 | Confident | 108 Ų | 108 | 96 Ų | 96 | 42% | 0.424 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.7 | -42 | 175.3 | -71 | -60 | 0 | 0 | 0 | 113 | K83 F84 K89 L90 I91 Y131 | K83-Y87 HydrophobicContact CB-CE2 4.26Å; K83-Y87 WeakPolarHBondContact O-CD2 3.5Å; K83-Y87 PolarHBondContact O-N 3.15Å; F84-Y87 PolarHBondContact O-N 3.44Å; Y87-K89 VanDerWaalsContact C-N 3.34Å; Y87-K89 PolarHBondContact O-N 2.92Å; Y87-L90 HydrophobicContact CD1-CD1 4.39Å; Y87-L90 PolarHBondContact O-N 3Å; Y87-I91 VanDerWaalsContact O-CG1 3.29Å; Y87-I91 WeakPolarHBondContact O-CG1 3.27Å; Y87-I91 PolarHBondContact O-N 2.78Å; Y87-Y131 HydrophobicContact CE1-CE2 4.1Å |
| 88 | V | 83.3 | Confident | 82 | Confident | 69 Ų | 69 | 94.8 Ų | 94.8 | 42% | 0.418 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63 | -39.5 | 176.5 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | F84 H86 K92 | F84-V88 HydrophobicContact CD1-CG2 4.02Å; F84-V88 HydrophobicContact CE1-CG2 3.63Å; F84-V88 HydrophobicContact CE2-CG2 4.36Å; F84-V88 HydrophobicContact CZ-CG2 3.82Å; F84-V88 WeakPolarHBondContact O-CG2 3.32Å; F84-V88 PolarHBondContact O-N 3.43Å; H86-V88 PolarHBondContact O-N 3.24Å; V88-K92 WeakPolarHBondContact O-CB 3.32Å; V88-K92 PolarHBondContact O-N 2.89Å |
| 89 | K | 83.5 | Confident | 81.6 | Confident | 144 Ų | 144 | 93.5 Ų | 93.5 | 63% | 0.626 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.7 | -42.9 | 173 | -74.8 | 178.6 | 179.7 | -174.8 | 0 | 111.8 | I85 H86 Y87 K92 L93 | I85-K89 WeakPolarHBondContact O-CG 3.49Å; I85-K89 PolarHBondContact O-N 2.98Å; H86-K89 PolarHBondContact O-N 3.44Å; Y87-K89 VanDerWaalsContact C-N 3.34Å; Y87-K89 PolarHBondContact O-N 2.92Å; K89-K92 PolarHBondContact O-N 3.34Å; K89-L93 WeakPolarHBondContact O-CB 3.4Å; K89-L93 PolarHBondContact O-N 2.93Å |
| 90 | L | 75.3 | Confident | 81.3 | Confident | 17 Ų | 17 | 89.6 Ų | 89.6 | 9% | 0.089 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 177.7 | -71.4 | 163.8 | 0 | 0 | 0 | 112.3 | H86 Y87 K92 L93 L94 Y131 | H86-L90 WeakPolarHBondContact O-CG 3.47Å; H86-L90 PolarHBondContact O-N 3.44Å; Y87-L90 HydrophobicContact CD1-CD1 4.39Å; Y87-L90 PolarHBondContact O-N 3Å; L90-K92 VanDerWaalsContact C-N 3.33Å; L90-K92 PolarHBondContact O-N 3.28Å; L90-L93 PolarHBondContact O-N 2.92Å; L90-L94 WeakPolarHBondContact O-CB 3.42Å; L90-L94 PolarHBondContact O-N 3.44Å; L90-Y131 HydrophobicContact CD1-CD2 3.69Å; L90-Y131 HydrophobicContact CD1-CE2 4.29Å; L90-Y131 HydrophobicContact CD1-CG 4.5Å |
| 91 | I | 79.5 | Confident | 80.8 | Confident | 105 Ų | 105 | 86 Ų | 86 | 54% | 0.538 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 174.6 | -67.9 | 163.2 | 0 | 0 | 0 | 110.2 | Y87 L93 L94 V95 | Y87-I91 VanDerWaalsContact O-CG1 3.29Å; Y87-I91 WeakPolarHBondContact O-CG1 3.27Å; Y87-I91 PolarHBondContact O-N 2.78Å; I91-L93 VanDerWaalsContact C-N 3.33Å; I91-L93 PolarHBondContact O-N 2.92Å; I91-L94 PolarHBondContact O-N 2.96Å; I91-V95 HydrophobicContact CG2-CG2 4.36Å; I91-V95 WeakPolarHBondContact O-CB 3.48Å; I91-V95 VanDerWaalsContact O-CG2 3.3Å; I91-V95 WeakPolarHBondContact O-CG2 3.11Å; I91-V95 PolarHBondContact O-N 3.42Å |
| 92 | K | 85.6 | Confident | 80.5 | Confident | 162 Ų | 162 | 89.9 Ų | 89.9 | 70% | 0.704 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -62.3 | -39.3 | 176.4 | -173.8 | 175.8 | -179.5 | 177.6 | 0 | 112.2 | V88 K89 L90 K96 | V88-K92 WeakPolarHBondContact O-CB 3.32Å; V88-K92 PolarHBondContact O-N 2.89Å; K89-K92 PolarHBondContact O-N 3.34Å; L90-K92 VanDerWaalsContact C-N 3.33Å; L90-K92 PolarHBondContact O-N 3.28Å; K92-K96 WeakPolarHBondContact O-CB 3.28Å; K92-K96 PolarHBondContact O-N 3.38Å |
| 93 | L | 78.6 | Confident | 80.3 | Confident | 52 Ų | 52 | 86.9 Ų | 86.9 | 27% | 0.272 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.3 | -47.1 | 175.2 | -170.2 | 153.9 | 0 | 0 | 0 | 111 | K89 L90 I91 V95 K96 E97 V127 | K89-L93 WeakPolarHBondContact O-CB 3.4Å; K89-L93 PolarHBondContact O-N 2.93Å; L90-L93 PolarHBondContact O-N 2.92Å; I91-L93 VanDerWaalsContact C-N 3.33Å; I91-L93 PolarHBondContact O-N 2.92Å; L93-V95 PolarHBondContact O-N 3.25Å; L93-K96 WeakPolarHBondContact O-CB 3.39Å; L93-K96 PolarHBondContact O-N 3.41Å; L93-K96 VanDerWaalsContact O-N 3.14Å; L93-E97 HydrophobicContact CD2-CG 4.03Å; L93-E97 PolarHBondContact O-N 3.48Å; L93-V127 HydrophobicContact CD2-CB 4.47Å; L93-V127 HydrophobicContact CD2-CG2 3.79Å |
| 94 | L | 76.7 | Confident | 80.1 | Confident | 69 Ų | 69 | 85.2 Ų | 85.2 | 36% | 0.361 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -56.2 | -49 | 174.9 | -177.2 | 157.8 | 0 | 0 | 0 | 111.1 | L90 I91 K96 E97 F98 V127 | L90-L94 WeakPolarHBondContact O-CB 3.42Å; L90-L94 PolarHBondContact O-N 3.44Å; I91-L94 PolarHBondContact O-N 2.96Å; L94-K96 VanDerWaalsContact C-N 3.31Å; L94-K96 PolarHBondContact O-N 3.34Å; L94-E97 PolarHBondContact O-N 3.35Å; L94-F98 HydrophobicContact CD1-CE2 4.4Å; L94-F98 HydrophobicContact CD2-CD2 3.52Å; L94-F98 HydrophobicContact CD2-CE2 3.9Å; L94-F98 HydrophobicContact CD2-CG 4.44Å; L94-F98 HydrophobicContact CG-CD2 3.72Å; L94-F98 HydrophobicContact CG-CE2 3.86Å; L94-F98 WeakPolarHBondContact O-CB 3.48Å; L94-F98 WeakPolarHBondContact O-CD2 3.36Å; L94-F98 PolarHBondContact O-N 3.09Å; L94-V127 HydrophobicContact CB-CG1 4.19Å; L94-V127 HydrophobicContact CB-CG2 3.83Å; L94-V127 HydrophobicContact CD1-CG1 4.19Å; L94-V127 HydrophobicContact CG-CG2 4.15Å |
| 95 | V | 81.9 | Confident | 79.8 | Confident | 70 Ų | 70 | 81.2 Ų | 81.2 | 42% | 0.424 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.2 | -38.1 | 177.7 | 170.4 | 0 | 0 | 0 | 0 | 111.6 | I91 L93 N99 | I91-V95 HydrophobicContact CG2-CG2 4.36Å; I91-V95 WeakPolarHBondContact O-CB 3.48Å; I91-V95 VanDerWaalsContact O-CG2 3.3Å; I91-V95 WeakPolarHBondContact O-CG2 3.11Å; I91-V95 PolarHBondContact O-N 3.42Å; L93-V95 PolarHBondContact O-N 3.25Å; V95-N99 VanDerWaalsContact O-CB 3.23Å; V95-N99 WeakPolarHBondContact O-CB 3.22Å; V95-N99 PolarHBondContact O-N 3.06Å; V95-N99 PolarHBondContact O-ND2 3.42Å; V95-N99 VanDerWaalsContact O-ND2 3.15Å |
| 96 | K | 84.4 | Confident | 79.7 | Confident | 132 Ų | 132 | 83 Ų | 83 | 57% | 0.574 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.7 | -50.4 | 175.1 | -176.2 | -163.4 | 171.3 | -149.9 | 0 | 111.3 | K92 L93 L94 N99 S100 | K92-K96 WeakPolarHBondContact O-CB 3.28Å; K92-K96 PolarHBondContact O-N 3.38Å; L93-K96 WeakPolarHBondContact O-CB 3.39Å; L93-K96 PolarHBondContact O-N 3.41Å; L93-K96 VanDerWaalsContact O-N 3.14Å; L94-K96 VanDerWaalsContact C-N 3.31Å; L94-K96 PolarHBondContact O-N 3.34Å; K96-N99 PolarHBondContact O-N 3.02Å; K96-S100 PolarHBondContact O-N 3.14Å |
| 97 | E | 76 | Confident | 79.8 | Confident | 34 Ų | 34 | 85.3 Ų | 85.3 | 16% | 0.159 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -66.2 | -45.9 | -179.4 | -65 | -49.5 | 129.7 | 0 | 0 | 111.6 | L93 L94 N99 S100 V101 A123 T126 | L93-E97 HydrophobicContact CD2-CG 4.03Å; L93-E97 PolarHBondContact O-N 3.48Å; L94-E97 PolarHBondContact O-N 3.35Å; E97-N99 VanDerWaalsContact C-N 3.3Å; E97-N99 PolarHBondContact O-N 2.92Å; E97-S100 WeakPolarHBondContact O-CA 3.37Å; E97-S100 VanDerWaalsContact O-CB 3.32Å; E97-S100 WeakPolarHBondContact O-CB 3.38Å; E97-S100 PolarHBondContact O-N 3.26Å; E97-V101 WeakPolarHBondContact O-CG2 3.22Å; E97-V101 PolarHBondContact O-N 3.45Å; E97-A123 HydrophobicContact CB-CB 4.17Å; E97-T126 HydrophobicContact CG-CG2 4.3Å |
| 98 | F | 77 | Confident | 79.6 | Confident | 79 Ų | 79 | 81.6 Ų | 81.6 | 35% | 0.346 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.8 | -35.1 | 175.2 | -90.1 | -85.5 | 0 | 0 | 0 | 113.2 | L94 R102 Y120 V124 | L94-F98 HydrophobicContact CD1-CE2 4.4Å; L94-F98 HydrophobicContact CD2-CD2 3.52Å; L94-F98 HydrophobicContact CD2-CE2 3.9Å; L94-F98 HydrophobicContact CD2-CG 4.44Å; L94-F98 HydrophobicContact CG-CD2 3.72Å; L94-F98 HydrophobicContact CG-CE2 3.86Å; L94-F98 WeakPolarHBondContact O-CB 3.48Å; L94-F98 WeakPolarHBondContact O-CD2 3.36Å; L94-F98 PolarHBondContact O-N 3.09Å; F98-R102 VanDerWaalsContact O-CB 3.26Å; F98-R102 WeakPolarHBondContact O-CB 3.34Å; F98-R102 PolarHBondContact O-N 3.44Å; F98-Y120 HydrophobicContact CD1-CE1 4.45Å; F98-Y120 HydrophobicContact CE1-CD1 4.18Å; F98-Y120 HydrophobicContact CE1-CE1 4.22Å; F98-V124 HydrophobicContact CZ-CG2 4.37Å |
| 99 | N | 81.9 | Confident | 79.3 | Confident | 82 Ų | 82 | 86.2 Ų | 86.2 | 44% | 0.439 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -68.5 | -38 | 172.5 | -77.8 | -28.2 | 0 | 0 | 0 | 111.9 | V95 K96 E97 R102 L103 | V95-N99 VanDerWaalsContact O-CB 3.23Å; V95-N99 WeakPolarHBondContact O-CB 3.22Å; V95-N99 PolarHBondContact O-N 3.06Å; V95-N99 PolarHBondContact O-ND2 3.42Å; V95-N99 VanDerWaalsContact O-ND2 3.15Å; K96-N99 PolarHBondContact O-N 3.02Å; E97-N99 VanDerWaalsContact C-N 3.3Å; E97-N99 PolarHBondContact O-N 2.92Å; N99-R102 PolarHBondContact O-N 3.38Å; N99-L103 WeakPolarHBondContact O-CG 3.29Å; N99-L103 PolarHBondContact O-N 2.85Å |
| 100 | S | 79.1 | Confident | 79.1 | Confident | 43 Ų | 43 | 87.9 Ų | 87.9 | 30% | 0.301 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61 | -49.3 | 173.1 | -171.6 | 0 | 0 | 0 | 0 | 111.5 | K96 E97 R102 L103 Q104 | K96-S100 PolarHBondContact O-N 3.14Å; E97-S100 WeakPolarHBondContact O-CA 3.37Å; E97-S100 VanDerWaalsContact O-CB 3.32Å; E97-S100 WeakPolarHBondContact O-CB 3.38Å; E97-S100 PolarHBondContact O-N 3.26Å; S100-R102 VanDerWaalsContact C-N 3.29Å; S100-R102 PolarHBondContact O-N 3.37Å; S100-L103 PolarHBondContact O-N 3.05Å; S100-L103 VanDerWaalsContact O-N 3.1Å; S100-Q104 WeakPolarHBondContact O-CG 3.35Å; S100-Q104 PolarHBondContact O-N 3.5Å; S100-Q104 PolarHBondContact OG-NE2 2.97Å |
| 101 | V | 75.1 | Confident | 79.2 | Confident | 6 Ų | 6 | 93.1 Ų | 93.1 | 4% | 0.036 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -57.3 | -42.4 | 173.6 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | E97 L103 Q104 L105 I119 Y120 A123 | E97-V101 WeakPolarHBondContact O-CG2 3.22Å; E97-V101 PolarHBondContact O-N 3.45Å; V101-L103 VanDerWaalsContact C-N 3.3Å; V101-L103 PolarHBondContact O-N 2.84Å; V101-Q104 PolarHBondContact O-N 3.29Å; V101-L105 VanDerWaalsContact O-CB 3.23Å; V101-L105 WeakPolarHBondContact O-CB 3.41Å; V101-L105 PolarHBondContact O-N 3.09Å; V101-I119 HydrophobicContact CB-CG2 4.24Å; V101-I119 HydrophobicContact CG1-CG2 3.87Å; V101-I119 HydrophobicContact CG2-CG2 3.84Å; V101-Y120 HydrophobicContact CG1-CD1 3.89Å; V101-Y120 HydrophobicContact CG1-CD2 4.1Å; V101-Y120 HydrophobicContact CG1-CE1 3.66Å; V101-Y120 HydrophobicContact CG1-CE2 3.87Å; V101-Y120 HydrophobicContact CG1-CG 4.11Å; V101-A123 HydrophobicContact CG2-CB 3.57Å |
| 102 | R | 79.9 | Confident | 78.8 | Confident | 159 Ų | 159 | 95.2 Ų | 95.2 | 60% | 0.6 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -68.4 | -26.8 | 179 | -167.8 | 176.9 | -174.6 | -173 | 2.9 | 113.2 | F98 N99 S100 K106 | F98-R102 VanDerWaalsContact O-CB 3.26Å; F98-R102 WeakPolarHBondContact O-CB 3.34Å; F98-R102 PolarHBondContact O-N 3.44Å; N99-R102 PolarHBondContact O-N 3.38Å; S100-R102 VanDerWaalsContact C-N 3.29Å; S100-R102 PolarHBondContact O-N 3.37Å; R102-K106 WeakPolarHBondContact O-CG 3.39Å; R102-K106 PolarHBondContact O-N 3.24Å |
| 103 | L | 81.7 | Confident | 78.1 | Confident | 97 Ų | 97 | 92 Ų | 92 | 51% | 0.508 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -75.5 | -50.8 | 172.2 | -71.8 | 169.4 | 0 | 0 | 0 | 110.8 | N99 S100 V101 L105 K106 E107 | N99-L103 WeakPolarHBondContact O-CG 3.29Å; N99-L103 PolarHBondContact O-N 2.85Å; S100-L103 PolarHBondContact O-N 3.05Å; S100-L103 VanDerWaalsContact O-N 3.1Å; V101-L103 VanDerWaalsContact C-N 3.3Å; V101-L103 PolarHBondContact O-N 2.84Å; L103-L105 PolarHBondContact O-N 3.47Å; L103-K106 WeakPolarHBondContact O-CA 3.38Å; L103-K106 WeakPolarHBondContact O-CB 3.23Å; L103-K106 PolarHBondContact O-N 3.22Å; L103-E107 PolarHBondContact O-N 2.94Å |
| 104 | Q | 76.8 | Confident | 77.7 | Confident | 74 Ų | 74 | 95 Ų | 95 | 35% | 0.346 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -55.7 | -39.5 | 174.9 | -68.9 | 172.8 | 20.1 | 0 | 0 | 111.7 | S100 V101 K106 E107 I108 | S100-Q104 WeakPolarHBondContact O-CG 3.35Å; S100-Q104 PolarHBondContact O-N 3.5Å; S100-Q104 PolarHBondContact OG-NE2 2.97Å; V101-Q104 PolarHBondContact O-N 3.29Å; Q104-K106 VanDerWaalsContact C-N 3.34Å; Q104-K106 PolarHBondContact O-N 2.94Å; Q104-E107 WeakPolarHBondContact O-CB 3.49Å; Q104-E107 PolarHBondContact O-N 3Å; Q104-I108 WeakPolarHBondContact O-CB 3.48Å; Q104-I108 VanDerWaalsContact O-CG1 3.29Å; Q104-I108 WeakPolarHBondContact O-CG1 3.29Å; Q104-I108 PolarHBondContact O-N 3.48Å |
| 105 | L | 77.5 | Confident | 77.3 | Confident | 47 Ų | 47 | 95.4 Ų | 95.4 | 25% | 0.246 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -65.9 | -33.3 | 175.7 | -179.5 | 56.1 | 0 | 0 | 0 | 113.2 | V101 L103 E107 K109 M115 Y120 | V101-L105 VanDerWaalsContact O-CB 3.23Å; V101-L105 WeakPolarHBondContact O-CB 3.41Å; V101-L105 PolarHBondContact O-N 3.09Å; L103-L105 PolarHBondContact O-N 3.47Å; L105-E107 VanDerWaalsContact C-N 3.34Å; L105-K109 WeakPolarHBondContact O-CB 3.18Å; L105-K109 PolarHBondContact O-N 3.12Å; L105-M115 HydrophobicContact CD1-CE 3.57Å; L105-M115 HydrophobicContact CD1-SD 3.31Å; L105-M115 WeakPolarHBondContact CD1-SD 3.44Å; L105-M115 HydrophobicContact CD2-CE 4.12Å; L105-M115 HydrophobicContact CG-CE 4.5Å; L105-Y120 HydrophobicContact CD2-CE2 4.42Å; L105-Y120 WeakPolarHBondContact CD2-OH 3.45Å |
| 106 | K | 82.3 | Confident | 76.6 | Confident | 133 Ų | 133 | 95.7 Ų | 95.7 | 58% | 0.578 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -68.7 | -36.2 | 172.9 | -75.2 | 171.7 | 177.6 | -175.3 | 0 | 111.4 | R102 L103 Q104 K110 | R102-K106 WeakPolarHBondContact O-CG 3.39Å; R102-K106 PolarHBondContact O-N 3.24Å; L103-K106 WeakPolarHBondContact O-CA 3.38Å; L103-K106 WeakPolarHBondContact O-CB 3.23Å; L103-K106 PolarHBondContact O-N 3.22Å; Q104-K106 VanDerWaalsContact C-N 3.34Å; Q104-K106 PolarHBondContact O-N 2.94Å; K106-K110 WeakPolarHBondContact O-CB 3.25Å; K106-K110 PolarHBondContact O-N 2.92Å |
| 107 | E | 81.2 | Confident | 75.8 | Confident | 110 Ų | 110 | 97.5 Ų | 97.5 | 51% | 0.514 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.4 | -53.7 | 176.6 | -68.8 | 162.5 | 176.9 | 0 | 0 | 110.7 | L103 Q104 L105 K109 K110 E111 | L103-E107 PolarHBondContact O-N 2.94Å; Q104-E107 WeakPolarHBondContact O-CB 3.49Å; Q104-E107 PolarHBondContact O-N 3Å; L105-E107 VanDerWaalsContact C-N 3.34Å; E107-K109 VanDerWaalsContact C-N 3.26Å; E107-K109 PolarHBondContact O-N 3.33Å; E107-K110 WeakPolarHBondContact O-CA 3.36Å; E107-K110 WeakPolarHBondContact O-CB 3.35Å; E107-K110 PolarHBondContact O-N 3.26Å; E107-E111 PolarHBondContact O-N 3.01Å |
| 108 | I | 74.8 | Confident | 75.5 | Confident | 30 Ų | 30 | 101.2 Ų | 101.2 | 15% | 0.154 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -52.8 | -43.6 | 174.5 | -69.5 | 165.5 | 0 | 0 | 0 | 111.4 | Q104 E111 N112 L113 I119 | Q104-I108 WeakPolarHBondContact O-CB 3.48Å; Q104-I108 VanDerWaalsContact O-CG1 3.29Å; Q104-I108 WeakPolarHBondContact O-CG1 3.29Å; Q104-I108 PolarHBondContact O-N 3.48Å; I108-E111 PolarHBondContact O-N 3.41Å; I108-N112 PolarHBondContact O-N 3.07Å; I108-L113 HydrophobicContact CG2-CB 3.93Å; I108-L113 WeakPolarHBondContact CG2-O 3.49Å; I108-L113 PolarHBondContact O-N 3.22Å; I108-L113 VanDerWaalsContact O-N 3.11Å; I108-I119 HydrophobicContact CD1-CD1 3.54Å |
| 109 | K | 76.9 | Confident | 75.1 | Confident | 165 Ų | 165 | 99.1 Ų | 99.1 | 72% | 0.717 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -68.8 | -31.1 | 176.8 | -175.2 | 173.8 | -179.5 | 178.7 | 0 | 113.3 | L105 E107 E111 | L105-K109 WeakPolarHBondContact O-CB 3.18Å; L105-K109 PolarHBondContact O-N 3.12Å; E107-K109 VanDerWaalsContact C-N 3.26Å; E107-K109 PolarHBondContact O-N 3.33Å; K109-E111 VanDerWaalsContact C-N 3.34Å |
| 110 | K | 79.5 | Confident | 74.5 | Confident | 180 Ų | 180 | 99 Ų | 99 | 78% | 0.783 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -71.8 | -31.7 | 175.3 | -174.2 | -173.4 | 175.5 | -165.7 | 0 | 111.5 | K106 E107 | K106-K110 WeakPolarHBondContact O-CB 3.25Å; K106-K110 PolarHBondContact O-N 2.92Å; E107-K110 WeakPolarHBondContact O-CA 3.36Å; E107-K110 WeakPolarHBondContact O-CB 3.35Å; E107-K110 PolarHBondContact O-N 3.26Å |
| 111 | E | 77.6 | Confident | 74 | Confident | 127 Ų | 127 | 98.9 Ų | 98.9 | 59% | 0.593 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -94.2 | -2.7 | -177.5 | -63.9 | 177.8 | 175.2 | 0 | 0 | 113.7 | E107 I108 K109 L113 | E107-E111 PolarHBondContact O-N 3.01Å; I108-E111 PolarHBondContact O-N 3.41Å; K109-E111 VanDerWaalsContact C-N 3.34Å; E111-L113 HydrophobicContact CB-CD1 3.49Å; E111-L113 VanDerWaalsContact CB-CD1 3.49Å; E111-L113 PolarHBondContact O-N 2.99Å |
| 112 | N | 70.4 | Confident | 73.7 | Confident | 149 Ų | 149 | 102.9 Ų | 102.9 | 80% | 0.797 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 29 | -174.5 | -63.3 | -53.1 | 0 | 0 | 0 | 114.4 | I108 | I108-N112 PolarHBondContact O-N 3.07Š|
| 113 | L | 71.7 | Confident | 73.1 | Confident | 95 Ų | 95 | 95.5 Ų | 95.5 | 50% | 0.497 | 47% | 0.465 | S | S | . | . | trans | -72.9 | 152.6 | 174.6 | -93.2 | 80.2 | 0 | 0 | 0 | 111.6 | I108 E111 | I108-L113 HydrophobicContact CG2-CB 3.93Å; I108-L113 WeakPolarHBondContact CG2-O 3.49Å; I108-L113 PolarHBondContact O-N 3.22Å; I108-L113 VanDerWaalsContact O-N 3.11Å; E111-L113 HydrophobicContact CB-CD1 3.49Å; E111-L113 VanDerWaalsContact CB-CD1 3.49Å; E111-L113 PolarHBondContact O-N 2.99Å | ||
| 114 | P | 70.5 | Confident | 72.6 | Confident | 115 Ų | 115 | 93.9 Ų | 93.9 | 75% | 0.747 | 46% | 0.459 | S | S | * | . | trans | -62.3 | 138.6 | 175.7 | 26.5 | -34.3 | 0 | 0 | 0 | 111.3 | N116 | P114-N116 PolarHBondContact O-N 3.25Å; P114-N116 VanDerWaalsContact O-N 3.11Å | ||
| 115 | M | 66.9 | Low | 72.2 | Confident | 77 Ų | 77 | 94.1 Ų | 94.1 | 38% | 0.379 | 46% | 0.459 | S | S | . | . | trans | -62.7 | 108 | 179.9 | -174.2 | 74.4 | -176.3 | 0 | 0 | 111.2 | L105 Y117 Y120 | L105-M115 HydrophobicContact CD1-CE 3.57Å; L105-M115 HydrophobicContact CD1-SD 3.31Å; L105-M115 WeakPolarHBondContact CD1-SD 3.44Å; L105-M115 HydrophobicContact CD2-CE 4.12Å; L105-M115 HydrophobicContact CG-CE 4.5Å; M115-Y117 HydrophobicContact CB-CE2 4.45Å; M115-Y117 HydrophobicContact CG-CD2 4.45Å; M115-Y117 HydrophobicContact CG-CE1 4.27Å; M115-Y117 HydrophobicContact CG-CE2 4.08Å; M115-Y117 PolarHBondContact O-N 2.89Å; M115-Y120 HydrophobicContact CE-CD2 4.38Å; M115-Y120 HydrophobicContact CE-CE2 3.77Å | ||
| 116 | N | 66.8 | Low | 71.8 | Confident | 75 Ų | 75 | 92.5 Ų | 92.5 | 40% | 0.401 | 45% | 0.451 | S | S | . | . | trans | -88.4 | 106.8 | 171.5 | -168.3 | -12.4 | 0 | 0 | 0 | 111.1 | P114 D118 I119 | P114-N116 PolarHBondContact O-N 3.25Å; P114-N116 VanDerWaalsContact O-N 3.11Å; N116-D118 PolarHBondContact O-N 3.42Å; N116-D118 WeakPolarHBondContact OD1-CB 3.5Å; N116-D118 PolarHBondContact OD1-N 3.44Å; N116-D118 PolarHBondContact OD1-OD2 3.23Å; N116-I119 HydrophobicContact CB-CD1 4.14Å; N116-I119 HydrophobicContact CB-CG1 4.23Å; N116-I119 WeakPolarHBondContact O-CG1 3.26Å; N116-I119 PolarHBondContact O-N 3.33Å | ||
| 117 | Y | 67.8 | Low | 71.2 | Confident | 171 Ų | 171 | 87 Ų | 87 | 67% | 0.671 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -21.5 | 177.3 | -68.4 | -82.6 | 0 | 0 | 0 | 113.4 | M115 I119 Y120 A121 | M115-Y117 HydrophobicContact CB-CE2 4.45Å; M115-Y117 HydrophobicContact CG-CD2 4.45Å; M115-Y117 HydrophobicContact CG-CE1 4.27Å; M115-Y117 HydrophobicContact CG-CE2 4.08Å; M115-Y117 PolarHBondContact O-N 2.89Å; Y117-I119 PolarHBondContact O-N 2.8Å; Y117-I119 VanDerWaalsContact O-N 3.13Å; Y117-Y120 PolarHBondContact O-N 3.46Å; Y117-A121 PolarHBondContact O-N 3.24Å |
| 118 | D | 69.9 | Low | 70.8 | Confident | 111 Ų | 111 | 83.9 Ų | 83.9 | 59% | 0.594 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -61.7 | -23.7 | 178.2 | -57 | -22.3 | 0 | 0 | 0 | 112 | N116 Y120 A121 K122 | N116-D118 PolarHBondContact O-N 3.42Å; N116-D118 WeakPolarHBondContact OD1-CB 3.5Å; N116-D118 PolarHBondContact OD1-N 3.44Å; N116-D118 PolarHBondContact OD1-OD2 3.23Å; D118-Y120 VanDerWaalsContact C-N 3.3Å; D118-Y120 PolarHBondContact O-N 2.93Å; D118-A121 PolarHBondContact O-N 2.9Å; D118-K122 WeakPolarHBondContact O-CB 3.31Å; D118-K122 PolarHBondContact O-N 2.97Å |
| 119 | I | 69.8 | Low | 70.6 | Confident | 35 Ų | 35 | 83.1 Ų | 83.1 | 18% | 0.179 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 175.9 | -59.3 | 175.9 | 0 | 0 | 0 | 110.6 | V101 I108 N116 Y117 A123 | V101-I119 HydrophobicContact CB-CG2 4.24Å; V101-I119 HydrophobicContact CG1-CG2 3.87Å; V101-I119 HydrophobicContact CG2-CG2 3.84Å; I108-I119 HydrophobicContact CD1-CD1 3.54Å; N116-I119 HydrophobicContact CB-CD1 4.14Å; N116-I119 HydrophobicContact CB-CG1 4.23Å; N116-I119 WeakPolarHBondContact O-CG1 3.26Å; N116-I119 PolarHBondContact O-N 3.33Å; Y117-I119 PolarHBondContact O-N 2.8Å; Y117-I119 VanDerWaalsContact O-N 3.13Å; I119-A123 PolarHBondContact O-N 3.48Å |
| 120 | Y | 68.1 | Low | 70.3 | Confident | 81 Ų | 81 | 77.1 Ų | 77.1 | 32% | 0.318 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -71.2 | -43.6 | 173.6 | -80.4 | -81.5 | 0 | 0 | 0 | 111.7 | F98 V101 L105 M115 Y117 D118 K122 A123 V124 | F98-Y120 HydrophobicContact CD1-CE1 4.45Å; F98-Y120 HydrophobicContact CE1-CD1 4.18Å; F98-Y120 HydrophobicContact CE1-CE1 4.22Å; V101-Y120 HydrophobicContact CG1-CD1 3.89Å; V101-Y120 HydrophobicContact CG1-CD2 4.1Å; V101-Y120 HydrophobicContact CG1-CE1 3.66Å; V101-Y120 HydrophobicContact CG1-CE2 3.87Å; V101-Y120 HydrophobicContact CG1-CG 4.11Å; L105-Y120 HydrophobicContact CD2-CE2 4.42Å; L105-Y120 WeakPolarHBondContact CD2-OH 3.45Å; M115-Y120 HydrophobicContact CE-CD2 4.38Å; M115-Y120 HydrophobicContact CE-CE2 3.77Å; Y117-Y120 PolarHBondContact O-N 3.46Å; D118-Y120 VanDerWaalsContact C-N 3.3Å; D118-Y120 PolarHBondContact O-N 2.93Å; Y120-K122 VanDerWaalsContact C-N 3.34Å; Y120-K122 PolarHBondContact O-N 2.89Å; Y120-A123 PolarHBondContact O-N 3.44Å; Y120-V124 WeakPolarHBondContact O-CG2 3.35Å; Y120-V124 PolarHBondContact O-N 3.46Å |
| 121 | A | 68.3 | Low | 69.9 | Low | 40 Ų | 40 | 73 Ų | 73 | 33% | 0.331 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -57.6 | -48.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y117 D118 A123 V124 F125 | Y117-A121 PolarHBondContact O-N 3.24Å; D118-A121 PolarHBondContact O-N 2.9Å; A121-A123 PolarHBondContact O-N 3.48Å; A121-V124 PolarHBondContact O-N 3.43Å; A121-F125 HydrophobicContact CB-CD2 4.32Å; A121-F125 HydrophobicContact CB-CE2 4.26Å; A121-F125 WeakPolarHBondContact O-CD2 3.39Å; A121-F125 PolarHBondContact O-N 3.32Å |
| 122 | K | 70.3 | Confident | 69.5 | Low | 90 Ų | 90 | 70.2 Ų | 70.2 | 39% | 0.391 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -54.9 | -46.8 | 175.6 | -177.8 | -178.4 | 178.3 | -175.3 | 0 | 112.5 | D118 Y120 F125 T126 I142 | D118-K122 WeakPolarHBondContact O-CB 3.31Å; D118-K122 PolarHBondContact O-N 2.97Å; Y120-K122 VanDerWaalsContact C-N 3.34Å; Y120-K122 PolarHBondContact O-N 2.89Å; K122-F125 PolarHBondContact O-N 3.46Å; K122-T126 WeakPolarHBondContact O-CB 3.45Å; K122-T126 PolarHBondContact O-N 3.41Å; K122-T126 PolarHBondContact O-OG1 3.25Å; K122-I142 HydrophobicContact CD-CG2 4.21Å; K122-I142 HydrophobicContact CG-CG2 3.89Å |
| 123 | A | 67.2 | Low | 69.5 | Low | 3 Ų | 3 | 67.6 Ų | 67.6 | 3% | 0.025 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E97 V101 I119 Y120 A121 T126 V127 | E97-A123 HydrophobicContact CB-CB 4.17Å; V101-A123 HydrophobicContact CG2-CB 3.57Å; I119-A123 PolarHBondContact O-N 3.48Å; Y120-A123 PolarHBondContact O-N 3.44Å; A121-A123 PolarHBondContact O-N 3.48Å; A123-T126 PolarHBondContact O-N 2.78Å; A123-V127 WeakPolarHBondContact O-CG2 3.26Å; A123-V127 PolarHBondContact O-N 2.97Å; A123-V127 VanDerWaalsContact O-N 3.11Å |
| 124 | V | 69.9 | Low | 69.2 | Low | 64 Ų | 64 | 63.5 Ų | 63.5 | 39% | 0.388 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.1 | -48.2 | 175.8 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | F98 Y120 A121 T126 V127 L128 | F98-V124 HydrophobicContact CZ-CG2 4.37Å; Y120-V124 WeakPolarHBondContact O-CG2 3.35Å; Y120-V124 PolarHBondContact O-N 3.46Å; A121-V124 PolarHBondContact O-N 3.43Å; V124-T126 VanDerWaalsContact C-N 3.33Å; V124-T126 PolarHBondContact O-N 3.37Å; V124-V127 PolarHBondContact O-N 3.12Å; V124-L128 HydrophobicContact CG1-CD1 3.66Å; V124-L128 HydrophobicContact CG1-CG 4.34Å; V124-L128 WeakPolarHBondContact O-CB 3.18Å; V124-L128 VanDerWaalsContact O-CG 3.27Å; V124-L128 WeakPolarHBondContact O-CG 3.4Å; V124-L128 PolarHBondContact O-N 3.32Å |
| 125 | F | 69.7 | Low | 69 | Low | 79 Ų | 79 | 60 Ų | 60 | 35% | 0.346 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.3 | -40 | 175 | -76.9 | -64 | 0 | 0 | 0 | 112.2 | A121 K122 V127 L128 I129 I153 L157 | A121-F125 HydrophobicContact CB-CD2 4.32Å; A121-F125 HydrophobicContact CB-CE2 4.26Å; A121-F125 WeakPolarHBondContact O-CD2 3.39Å; A121-F125 PolarHBondContact O-N 3.32Å; K122-F125 PolarHBondContact O-N 3.46Å; F125-V127 VanDerWaalsContact C-N 3.34Å; F125-V127 PolarHBondContact O-N 3.13Å; F125-L128 PolarHBondContact O-N 3.5Å; F125-I129 HydrophobicContact CB-CD1 4.47Å; F125-I129 WeakPolarHBondContact O-CB 3.27Å; F125-I129 WeakPolarHBondContact O-CD1 3.15Å; F125-I129 WeakPolarHBondContact O-CG1 3.46Å; F125-I129 PolarHBondContact O-N 2.99Å; F125-I153 HydrophobicContact CD1-CG2 4.2Å; F125-L157 HydrophobicContact CD1-CD1 3.69Å; F125-L157 HydrophobicContact CE1-CD1 3.56Å |
| 126 | T | 69.3 | Low | 68.4 | Low | 12 Ų | 12 | 63.7 Ų | 63.7 | 7% | 0.074 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 176.7 | -55.1 | 0 | 0 | 0 | 0 | 111.6 | E97 K122 A123 V124 S130 I142 | E97-T126 HydrophobicContact CG-CG2 4.3Å; K122-T126 WeakPolarHBondContact O-CB 3.45Å; K122-T126 PolarHBondContact O-N 3.41Å; K122-T126 PolarHBondContact O-OG1 3.25Å; A123-T126 PolarHBondContact O-N 2.78Å; V124-T126 VanDerWaalsContact C-N 3.33Å; V124-T126 PolarHBondContact O-N 3.37Å; T126-S130 WeakPolarHBondContact O-CB 3.4Å; T126-S130 PolarHBondContact O-N 3.4Å; T126-S130 VanDerWaalsContact O-N 3.13Å; T126-S130 PolarHBondContact O-OG 2.72Å; T126-I142 HydrophobicContact CG2-CG1 4.29Å |
| 127 | V | 69.6 | Low | 67.9 | Low | 17 Ų | 17 | 62.9 Ų | 62.9 | 10% | 0.103 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.6 | -42.3 | 175.7 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | L93 L94 A123 V124 F125 S130 Y131 | L93-V127 HydrophobicContact CD2-CB 4.47Å; L93-V127 HydrophobicContact CD2-CG2 3.79Å; L94-V127 HydrophobicContact CB-CG1 4.19Å; L94-V127 HydrophobicContact CB-CG2 3.83Å; L94-V127 HydrophobicContact CD1-CG1 4.19Å; L94-V127 HydrophobicContact CG-CG2 4.15Å; A123-V127 WeakPolarHBondContact O-CG2 3.26Å; A123-V127 PolarHBondContact O-N 2.97Å; A123-V127 VanDerWaalsContact O-N 3.11Å; V124-V127 PolarHBondContact O-N 3.12Å; F125-V127 VanDerWaalsContact C-N 3.34Å; F125-V127 PolarHBondContact O-N 3.13Å; V127-S130 CarbonylContact O-C 3.57Å; V127-S130 WeakPolarHBondContact O-CB 3.45Å; V127-S130 PolarHBondContact O-N 2.87Å; V127-Y131 WeakPolarHBondContact O-CB 3.44Å; V127-Y131 PolarHBondContact O-N 2.72Å |
| 128 | L | 71.9 | Confident | 66.8 | Low | 45 Ų | 45 | 62.9 Ų | 62.9 | 24% | 0.236 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.4 | -45.5 | -179.6 | -75.2 | 169 | 0 | 0 | 0 | 112.7 | V124 F125 S130 Y131 Y132 L157 | V124-L128 HydrophobicContact CG1-CD1 3.66Å; V124-L128 HydrophobicContact CG1-CG 4.34Å; V124-L128 WeakPolarHBondContact O-CB 3.18Å; V124-L128 VanDerWaalsContact O-CG 3.27Å; V124-L128 WeakPolarHBondContact O-CG 3.4Å; V124-L128 PolarHBondContact O-N 3.32Å; F125-L128 PolarHBondContact O-N 3.5Å; L128-S130 PolarHBondContact O-N 2.93Å; L128-Y131 WeakPolarHBondContact O-CB 3.2Å; L128-Y131 PolarHBondContact O-N 2.94Å; L128-Y131 VanDerWaalsContact O-N 3.13Å; L128-Y132 HydrophobicContact CD2-CE2 4.15Å; L128-Y132 VanDerWaalsContact O-CD2 3.25Å; L128-Y132 WeakPolarHBondContact O-CD2 3.23Å; L128-Y132 PolarHBondContact O-N 3.21Å; L128-L157 HydrophobicContact CB-CD1 4.39Å; L128-L157 HydrophobicContact CB-CD2 3.97Å; L128-L157 HydrophobicContact CD1-CD1 3.9Å; L128-L157 HydrophobicContact CD1-CD2 3.85Å; L128-L157 HydrophobicContact CD2-CD2 3.84Å; L128-L157 HydrophobicContact CG-CD2 4.1Å |
| 129 | I | 70.2 | Confident | 65.9 | Low | 15 Ų | 15 | 63.4 Ų | 63.4 | 8% | 0.077 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.3 | -41.7 | 173.2 | -70.4 | 163.2 | 0 | 0 | 0 | 110.4 | F125 Q133 L134 F135 I153 | F125-I129 HydrophobicContact CB-CD1 4.47Å; F125-I129 WeakPolarHBondContact O-CB 3.27Å; F125-I129 WeakPolarHBondContact O-CD1 3.15Å; F125-I129 WeakPolarHBondContact O-CG1 3.46Å; F125-I129 PolarHBondContact O-N 2.99Å; I129-Q133 WeakPolarHBondContact O-CA 3.38Å; I129-Q133 PolarHBondContact O-N 3.14Å; I129-L134 PolarHBondContact O-N 3.33Å; I129-L134 VanDerWaalsContact O-N 3.13Å; I129-F135 HydrophobicContact CD1-CE2 4.48Å; I129-F135 HydrophobicContact CG2-CD2 3.48Å; I129-F135 VanDerWaalsContact CG2-CD2 3.48Å; I129-F135 HydrophobicContact CG2-CE2 3.75Å; I129-I153 HydrophobicContact CD1-CD1 3.82Å; I129-I153 HydrophobicContact CD1-CG1 4.41Å; I129-I153 HydrophobicContact CD1-CG2 4.44Å; I129-I153 HydrophobicContact CG1-CD1 4.19Å; I129-I153 HydrophobicContact CG1-CG1 4.23Å; I129-I153 HydrophobicContact CG1-CG2 4.1Å |
| 130 | S | 70.5 | Confident | 65 | Low | 38 Ų | 38 | 68.4 Ų | 68.4 | 27% | 0.266 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.8 | -36.2 | 176 | -57.5 | 0 | 0 | 0 | 0 | 113 | T126 V127 L128 Q133 | T126-S130 WeakPolarHBondContact O-CB 3.4Å; T126-S130 PolarHBondContact O-N 3.4Å; T126-S130 VanDerWaalsContact O-N 3.13Å; T126-S130 PolarHBondContact O-OG 2.72Å; V127-S130 CarbonylContact O-C 3.57Å; V127-S130 WeakPolarHBondContact O-CB 3.45Å; V127-S130 PolarHBondContact O-N 2.87Å; L128-S130 PolarHBondContact O-N 2.93Å; S130-Q133 WeakPolarHBondContact O-CG 3.5Å; S130-Q133 PolarHBondContact O-N 3.44Å |
| 131 | Y | 71 | Confident | 64.5 | Low | 95 Ų | 95 | 68.1 Ų | 68.1 | 37% | 0.373 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.7 | -52.9 | 178.1 | 179.3 | -86.3 | 0 | 0 | 0 | 111.2 | Y87 L90 V127 L128 Q133 | Y87-Y131 HydrophobicContact CE1-CE2 4.1Å; L90-Y131 HydrophobicContact CD1-CD2 3.69Å; L90-Y131 HydrophobicContact CD1-CE2 4.29Å; L90-Y131 HydrophobicContact CD1-CG 4.5Å; V127-Y131 WeakPolarHBondContact O-CB 3.44Å; V127-Y131 PolarHBondContact O-N 2.72Å; L128-Y131 WeakPolarHBondContact O-CB 3.2Å; L128-Y131 PolarHBondContact O-N 2.94Å; L128-Y131 VanDerWaalsContact O-N 3.13Å; Y131-Q133 PolarHBondContact O-N 3.17Å |
| 132 | Y | 70.2 | Confident | 63.8 | Low | 67 Ų | 67 | 68.8 Ų | 68.8 | 26% | 0.263 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -76.1 | -8.8 | 177.2 | -66.6 | -70.2 | 0 | 0 | 0 | 112.8 | L128 L134 V156 L157 A160 K307 | L128-Y132 HydrophobicContact CD2-CE2 4.15Å; L128-Y132 VanDerWaalsContact O-CD2 3.25Å; L128-Y132 WeakPolarHBondContact O-CD2 3.23Å; L128-Y132 PolarHBondContact O-N 3.21Å; Y132-L134 VanDerWaalsContact C-N 3.32Å; Y132-L134 PolarHBondContact O-N 3.21Å; Y132-V156 HydrophobicContact CD1-CG1 4.12Å; Y132-V156 HydrophobicContact CD2-CG1 3.98Å; Y132-V156 HydrophobicContact CG-CG1 3.79Å; Y132-L157 HydrophobicContact CD2-CD2 3.94Å; Y132-L157 HydrophobicContact CE2-CD2 3.52Å; Y132-A160 HydrophobicContact CE1-CB 3.8Å; Y132-A160 HydrophobicContact CE2-CB 4.48Å; Y132-A160 WeakPolarHBondContact OH-CB 3.23Å; Y132-K307 WeakPolarHBondContact O-CE 3.5Å; Y132-K307 PolarHBondContact O-NZ 2.96Å |
| 133 | Q | 70.2 | Confident | 63.2 | Low | 95 Ų | 95 | 66.5 Ų | 66.5 | 44% | 0.444 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 49.6 | -176.5 | -53.1 | 167 | 20 | 0 | 0 | 111.1 | H86 I129 S130 Y131 K307 | H86-Q133 PolarHBondContact CE1-NE2 2.96Å; H86-Q133 PolarHBondContact NE2-NE2 2.91Å; I129-Q133 WeakPolarHBondContact O-CA 3.38Å; I129-Q133 PolarHBondContact O-N 3.14Å; S130-Q133 WeakPolarHBondContact O-CG 3.5Å; S130-Q133 PolarHBondContact O-N 3.44Å; Y131-Q133 PolarHBondContact O-N 3.17Å; Q133-K307 PolarHBondContact O-NZ 3.34Å |
| 134 | L | 65 | Low | 63.1 | Low | 9 Ų | 9 | 67.1 Ų | 67.1 | 5% | 0.047 | 34% | 0.342 | C | S | . | . | trans | -68.1 | -37.7 | -170.6 | -67.3 | 176.3 | 0 | 0 | 0 | 112.7 | I129 Y132 I153 V156 L304 | I129-L134 PolarHBondContact O-N 3.33Å; I129-L134 VanDerWaalsContact O-N 3.13Å; Y132-L134 VanDerWaalsContact C-N 3.32Å; Y132-L134 PolarHBondContact O-N 3.21Å; L134-I153 HydrophobicContact CD1-CB 4.49Å; L134-I153 HydrophobicContact CD1-CG1 4.08Å; L134-V156 HydrophobicContact CD1-CB 4.12Å; L134-V156 HydrophobicContact CD1-CG1 4.14Å; L134-V156 HydrophobicContact CD1-CG2 3.81Å; L134-V156 HydrophobicContact CD2-CB 4.27Å; L134-V156 HydrophobicContact CD2-CG1 3.94Å; L134-V156 HydrophobicContact CD2-CG2 3.46Å; L134-V156 VanDerWaalsContact CD2-CG2 3.46Å; L134-V156 HydrophobicContact CG-CG2 4.28Å; L134-L304 HydrophobicContact CB-CD2 4.42Å; L134-L304 HydrophobicContact CD2-CD2 4.03Å; L134-L304 WeakPolarHBondContact O-CD2 3.26Å | ||
| 135 | F | 65.5 | Low | 62.7 | Low | 41 Ų | 41 | 68.1 Ų | 68.1 | 18% | 0.18 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -100.1 | 130.1 | 175.2 | -56.3 | -71.8 | 0 | 0 | 0 | 110.5 | I129 G137 E149 I153 | I129-F135 HydrophobicContact CD1-CE2 4.48Å; I129-F135 HydrophobicContact CG2-CD2 3.48Å; I129-F135 VanDerWaalsContact CG2-CD2 3.48Å; I129-F135 HydrophobicContact CG2-CE2 3.75Å; F135-G137 PolarHBondContact O-N 2.84Å; F135-E149 HydrophobicContact CE1-CG 4.34Å; F135-E149 WeakPolarHBondContact CE1-OE1 3.23Å; F135-E149 HydrophobicContact CZ-CB 4.42Å; F135-I153 HydrophobicContact CE2-CD1 3.98Å; F135-I153 HydrophobicContact CE2-CG1 4.29Å; F135-I153 HydrophobicContact CZ-CD1 3.96Å; F135-I153 HydrophobicContact CZ-CG1 4.23Å |
| 136 | K | 56 | Low | 62.3 | Low | 154 Ų | 154 | 67.8 Ų | 67.8 | 67% | 0.67 | 34% | 0.344 | S | S | * | . | trans | -92.3 | 74.1 | 178.9 | -167.6 | -173.1 | -174.1 | -179.1 | 0 | 109.6 | Y303 | K136-Y303 HydrophobicContact CB-CD1 4.02Å; K136-Y303 HydrophobicContact CB-CE1 3.74Å; K136-Y303 HydrophobicContact CD-CD2 3.96Å; K136-Y303 HydrophobicContact CD-CE1 4.4Å; K136-Y303 HydrophobicContact CD-CE2 3.81Å; K136-Y303 HydrophobicContact CD-CG 4.3Å; K136-Y303 HydrophobicContact CG-CE1 4.42Å; K136-Y303 HydrophobicContact CG-CE2 4.5Å | ||
| 137 | G | 54.6 | Low | 62.2 | Low | 58 Ų | 58 | 72 Ų | 72 | 60% | 0.598 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -162.2 | 154.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F135 E139 | F135-G137 PolarHBondContact O-N 2.84Å; G137-E139 PolarHBondContact O-N 3.41Å |
| 138 | N | 44.6 | Very low | 62.2 | Low | 172 Ų | 172 | 77 Ų | 77 | 92% | 0.92 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -88.1 | 24.2 | 179.7 | -158.9 | 31.6 | 0 | 0 | 0 | 112.1 | ||
| 139 | E | 52.3 | Low | 61.9 | Low | 122 Ų | 122 | 75.8 Ų | 75.8 | 57% | 0.57 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -112.9 | 140.4 | -167.9 | -61.7 | -168.7 | 167.8 | 0 | 0 | 110.9 | G137 R141 | G137-E139 PolarHBondContact O-N 3.41Å; E139-R141 HydrophobicContact CB-CG 4.48Å; E139-R141 PolarHBondContact O-N 3.46Å; E139-R141 IonicContact OE2-NE 2.7Å |
| 140 | N | 51.1 | Low | 61.8 | Low | 140 Ų | 140 | 80.4 Ų | 80.4 | 75% | 0.749 | 40% | 0.401 | S | S | * | . | trans | -75.8 | 54.6 | -178.4 | -57.1 | -67.6 | 0 | 0 | 0 | 111.6 | I142 | N140-I142 HydrophobicContact CB-CD1 4.02Å; N140-I142 HydrophobicContact CB-CG1 4.37Å; N140-I142 WeakPolarHBondContact O-CG1 3.37Å; N140-I142 PolarHBondContact O-N 3.47Å | ||
| 141 | R | 56 | Low | 61.5 | Low | 75 Ų | 75 | 82.4 Ų | 82.4 | 28% | 0.283 | 41% | 0.406 | S | S | . | . | trans | -71.9 | 82.3 | 171.6 | -72 | -174.7 | 175.3 | -119 | -9.8 | 109 | E139 I143 E145 | E139-R141 HydrophobicContact CB-CG 4.48Å; E139-R141 PolarHBondContact O-N 3.46Å; E139-R141 IonicContact OE2-NE 2.7Å; R141-I143 VanDerWaalsContact C-N 3.29Å; R141-E145 IonicContact CZ-OE1 2.8Å; R141-E145 IonicContact CZ-OE2 3.2Å; R141-E145 IonicContact NH1-OE1 3.75Å; R141-E145 PolarHBondContact NH1-OE1 2.78Å; R141-E145 IonicContact NH1-OE2 3.83Å; R141-E145 PolarHBondContact NH1-OE2 2.89Å; R141-E145 IonicContact NH2-OE1 3Å; R141-E145 IonicContact NH2-OE2 2.85Å | ||
| 142 | I | 55.2 | Low | 61.4 | Low | 54 Ų | 54 | 80.1 Ų | 80.1 | 28% | 0.277 | 40% | 0.4 | S | S | . | . | trans | -82.8 | -9.5 | -177 | -67.9 | 154.6 | 0 | 0 | 0 | 111.9 | K122 T126 N140 | K122-I142 HydrophobicContact CD-CG2 4.21Å; K122-I142 HydrophobicContact CG-CG2 3.89Å; T126-I142 HydrophobicContact CG2-CG1 4.29Å; N140-I142 HydrophobicContact CB-CD1 4.02Å; N140-I142 HydrophobicContact CB-CG1 4.37Å; N140-I142 WeakPolarHBondContact O-CG1 3.37Å; N140-I142 PolarHBondContact O-N 3.47Å | ||
| 143 | I | 58 | Low | 61.4 | Low | 41 Ų | 41 | 77.2 Ų | 77.2 | 21% | 0.21 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -139 | 116.6 | -161.8 | -72.6 | -174.6 | 0 | 0 | 0 | 105.5 | R141 E145 W254 | R141-I143 VanDerWaalsContact C-N 3.29Å; I143-E145 PolarHBondContact O-N 3.48Å; I143-W254 HydrophobicContact CB-CH2 4.1Å; I143-W254 HydrophobicContact CB-CZ2 3.94Å; I143-W254 HydrophobicContact CD1-CH2 4.19Å; I143-W254 HydrophobicContact CD1-CZ3 4.49Å; I143-W254 HydrophobicContact CG1-CH2 3.68Å; I143-W254 HydrophobicContact CG1-CZ2 4.03Å; I143-W254 HydrophobicContact CG1-CZ3 4.4Å; I143-W254 HydrophobicContact CG2-CH2 3.95Å; I143-W254 HydrophobicContact CG2-CZ2 3.37Å |
| 144 | P | 63.5 | Low | 61.4 | Low | 17 Ų | 17 | 77.4 Ų | 77.4 | 11% | 0.11 | 39% | 0.385 | C | S | . | . | trans | -58.3 | 127.6 | 166.5 | 21.2 | -30.5 | 0 | 0 | 0 | 109.3 | E149 Y150 I153 W254 | P144-E149 WeakPolarHBondContact CA-OE2 3.47Å; P144-E149 HydrophobicContact CB-CB 3.63Å; P144-Y150 HydrophobicContact CG-CD2 4.39Å; P144-I153 HydrophobicContact CB-CD1 3.89Å; P144-I153 HydrophobicContact CG-CD1 4.06Å; P144-W254 HydrophobicContact CG-CZ2 4.44Å | ||
| 145 | E | 62.3 | Low | 61.6 | Low | 85 Ų | 85 | 81.8 Ų | 81.8 | 40% | 0.397 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -75.7 | -39.8 | -177.9 | -71.1 | 175.2 | 178.3 | 0 | 0 | 110.1 | R141 I143 E149 | R141-E145 IonicContact CZ-OE1 2.8Å; R141-E145 IonicContact CZ-OE2 3.2Å; R141-E145 IonicContact NH1-OE1 3.75Å; R141-E145 PolarHBondContact NH1-OE1 2.78Å; R141-E145 IonicContact NH1-OE2 3.83Å; R141-E145 PolarHBondContact NH1-OE2 2.89Å; R141-E145 IonicContact NH2-OE1 3Å; R141-E145 IonicContact NH2-OE2 2.85Å; I143-E145 PolarHBondContact O-N 3.48Å; E145-E149 PolarHBondContact N-OE2 3.43Å |
| 146 | D | 62.2 | Low | 61.7 | Low | 71 Ų | 71 | 80.3 Ų | 80.3 | 38% | 0.38 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -115.4 | 158.5 | -177.5 | -70 | -45.8 | 0 | 0 | 0 | 113.9 | I148 E149 Y150 Y297 | D146-I148 PolarHBondContact O-N 3.45Å; D146-E149 PolarHBondContact O-N 3.08Å; D146-E149 VanDerWaalsContact O-N 3.11Å; D146-Y150 PolarHBondContact O-N 3.33Å; D146-Y150 VanDerWaalsContact O-N 3.08Å; D146-Y297 WeakPolarHBondContact OD2-CE1 3.2Å |
| 147 | L | 67.2 | Low | 62.4 | Low | 102 Ų | 102 | 73.7 Ų | 73.7 | 53% | 0.534 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -55.6 | -33.6 | 170.4 | -177 | 65.8 | 0 | 0 | 0 | 112 | Y150 E151 | L147-Y150 PolarHBondContact O-N 2.92Å; L147-E151 PolarHBondContact O-N 3.07Å |
| 148 | I | 68 | Low | 63 | Low | 122 Ų | 122 | 72.6 Ų | 72.6 | 63% | 0.626 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -65.2 | -45.9 | 177.1 | -61.2 | 173.2 | 0 | 0 | 0 | 110.5 | D146 Y150 E151 I152 | D146-I148 PolarHBondContact O-N 3.45Å; I148-Y150 VanDerWaalsContact C-N 3.33Å; I148-Y150 PolarHBondContact O-N 2.84Å; I148-E151 PolarHBondContact O-N 3.16Å; I148-I152 HydrophobicContact CG2-CD1 3.82Å; I148-I152 HydrophobicContact CG2-CG1 4.49Å; I148-I152 WeakPolarHBondContact O-CD1 3.33Å; I148-I152 VanDerWaalsContact O-CG1 3.23Å; I148-I152 WeakPolarHBondContact O-CG1 3.25Å; I148-I152 PolarHBondContact O-N 2.59Å |
| 149 | E | 66.2 | Low | 63.9 | Low | 19 Ų | 19 | 66.4 Ų | 66.4 | 9% | 0.089 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64 | -40 | 176.6 | -66.8 | -165.9 | 142.6 | 0 | 0 | 111.5 | F135 P144 E145 D146 I152 I153 | F135-E149 HydrophobicContact CE1-CG 4.34Å; F135-E149 WeakPolarHBondContact CE1-OE1 3.23Å; F135-E149 HydrophobicContact CZ-CB 4.42Å; P144-E149 WeakPolarHBondContact CA-OE2 3.47Å; P144-E149 HydrophobicContact CB-CB 3.63Å; E145-E149 PolarHBondContact N-OE2 3.43Å; D146-E149 PolarHBondContact O-N 3.08Å; D146-E149 VanDerWaalsContact O-N 3.11Å; E149-I152 PolarHBondContact O-N 3.14Å; E149-I153 WeakPolarHBondContact O-CD1 3.39Å; E149-I153 VanDerWaalsContact O-CG1 3.23Å; E149-I153 WeakPolarHBondContact O-CG1 3.41Å; E149-I153 PolarHBondContact O-N 3.24Å |
| 150 | Y | 68 | Low | 64.5 | Low | 112 Ų | 112 | 62.6 Ų | 62.6 | 44% | 0.439 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.3 | -51 | 174.8 | 174.6 | -93.5 | 0 | 0 | 0 | 111.9 | P144 D146 L147 I148 I152 I153 R154 | P144-Y150 HydrophobicContact CG-CD2 4.39Å; D146-Y150 PolarHBondContact O-N 3.33Å; D146-Y150 VanDerWaalsContact O-N 3.08Å; L147-Y150 PolarHBondContact O-N 2.92Å; I148-Y150 VanDerWaalsContact C-N 3.33Å; I148-Y150 PolarHBondContact O-N 2.84Å; Y150-I152 VanDerWaalsContact C-N 3.31Å; Y150-I152 PolarHBondContact O-N 3.49Å; Y150-I153 PolarHBondContact O-N 3.13Å; Y150-R154 VanDerWaalsContact O-CB 3.23Å; Y150-R154 WeakPolarHBondContact O-CB 3.47Å; Y150-R154 PolarHBondContact O-N 3.25Å |
| 151 | E | 65.1 | Low | 65.1 | Low | 79 Ų | 79 | 64.4 Ų | 64.4 | 37% | 0.369 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.5 | -32.3 | 178.9 | -78.1 | -62.8 | 139.8 | 0 | 0 | 112.1 | L147 I148 R154 F155 | L147-E151 PolarHBondContact O-N 3.07Å; I148-E151 PolarHBondContact O-N 3.16Å; E151-R154 IonicContact OE1-CZ 3.51Å; E151-R154 IonicContact OE1-NH1 3.86Å; E151-R154 PolarHBondContact OE1-NH1 3.5Å; E151-R154 IonicContact OE2-CZ 2.72Å; E151-R154 IonicContact OE2-NH1 3.47Å; E151-R154 PolarHBondContact OE2-NH1 3.45Å; E151-F155 WeakPolarHBondContact O-CB 3.2Å; E151-F155 PolarHBondContact O-N 3.46Å |
| 152 | I | 68.9 | Low | 65.1 | Low | 47 Ų | 47 | 70.5 Ų | 70.5 | 24% | 0.241 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66 | -50.9 | 171.3 | -66.5 | 162.2 | 0 | 0 | 0 | 111 | I148 E149 Y150 R154 F155 V156 L304 F308 | I148-I152 HydrophobicContact CG2-CD1 3.82Å; I148-I152 HydrophobicContact CG2-CG1 4.49Å; I148-I152 WeakPolarHBondContact O-CD1 3.33Å; I148-I152 VanDerWaalsContact O-CG1 3.23Å; I148-I152 WeakPolarHBondContact O-CG1 3.25Å; I148-I152 PolarHBondContact O-N 2.59Å; E149-I152 PolarHBondContact O-N 3.14Å; Y150-I152 VanDerWaalsContact C-N 3.31Å; Y150-I152 PolarHBondContact O-N 3.49Å; I152-R154 VanDerWaalsContact C-N 3.25Å; I152-R154 PolarHBondContact O-N 2.7Å; I152-F155 PolarHBondContact O-N 2.96Å; I152-F155 VanDerWaalsContact O-N 3.15Å; I152-V156 HydrophobicContact CG2-CG2 4.34Å; I152-V156 VanDerWaalsContact O-CG2 3.25Å; I152-V156 WeakPolarHBondContact O-CG2 3.32Å; I152-V156 PolarHBondContact O-N 3.48Å; I152-L304 HydrophobicContact CD1-CD1 4.29Å; I152-L304 HydrophobicContact CG2-CD1 4.16Å; I152-L304 HydrophobicContact CG2-CD2 4.33Å; I152-F308 HydrophobicContact CG2-CE2 4.38Å |
| 153 | I | 70.5 | Confident | 65 | Low | 6 Ų | 6 | 73.9 Ų | 73.9 | 3% | 0.031 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.8 | -43.7 | 178.5 | -67 | 158.4 | 0 | 0 | 0 | 110.1 | F125 I129 L134 F135 P144 E149 Y150 V156 L157 | F125-I153 HydrophobicContact CD1-CG2 4.2Å; I129-I153 HydrophobicContact CD1-CD1 3.82Å; I129-I153 HydrophobicContact CD1-CG1 4.41Å; I129-I153 HydrophobicContact CD1-CG2 4.44Å; I129-I153 HydrophobicContact CG1-CD1 4.19Å; I129-I153 HydrophobicContact CG1-CG1 4.23Å; I129-I153 HydrophobicContact CG1-CG2 4.1Å; L134-I153 HydrophobicContact CD1-CB 4.49Å; L134-I153 HydrophobicContact CD1-CG1 4.08Å; F135-I153 HydrophobicContact CE2-CD1 3.98Å; F135-I153 HydrophobicContact CE2-CG1 4.29Å; F135-I153 HydrophobicContact CZ-CD1 3.96Å; F135-I153 HydrophobicContact CZ-CG1 4.23Å; P144-I153 HydrophobicContact CB-CD1 3.89Å; P144-I153 HydrophobicContact CG-CD1 4.06Å; E149-I153 WeakPolarHBondContact O-CD1 3.39Å; E149-I153 VanDerWaalsContact O-CG1 3.23Å; E149-I153 WeakPolarHBondContact O-CG1 3.41Å; E149-I153 PolarHBondContact O-N 3.24Å; Y150-I153 PolarHBondContact O-N 3.13Å; I153-V156 PolarHBondContact O-N 2.91Å; I153-L157 HydrophobicContact CG2-CD1 3.85Å; I153-L157 WeakPolarHBondContact O-CB 3.23Å; I153-L157 VanDerWaalsContact O-CG 3.23Å; I153-L157 WeakPolarHBondContact O-CG 3.4Å; I153-L157 PolarHBondContact O-N 3.07Å; I153-L157 VanDerWaalsContact O-N 3.1Å |
| 154 | R | 70.2 | Confident | 64.9 | Low | 99 Ų | 99 | 72.9 Ų | 72.9 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.5 | -49.6 | 175 | 179.8 | -176.1 | 165.5 | -151.3 | -11.9 | 111.2 | Y150 E151 I152 V156 L157 E158 | Y150-R154 VanDerWaalsContact O-CB 3.23Å; Y150-R154 WeakPolarHBondContact O-CB 3.47Å; Y150-R154 PolarHBondContact O-N 3.25Å; E151-R154 IonicContact OE1-CZ 3.51Å; E151-R154 IonicContact OE1-NH1 3.86Å; E151-R154 PolarHBondContact OE1-NH1 3.5Å; E151-R154 IonicContact OE2-CZ 2.72Å; E151-R154 IonicContact OE2-NH1 3.47Å; E151-R154 PolarHBondContact OE2-NH1 3.45Å; I152-R154 VanDerWaalsContact C-N 3.25Å; I152-R154 PolarHBondContact O-N 2.7Å; R154-V156 PolarHBondContact O-N 3.43Å; R154-L157 PolarHBondContact O-N 2.9Å; R154-L157 VanDerWaalsContact O-N 3.16Å; R154-E158 HydrophobicContact CG-CG 4.43Å; R154-E158 IonicContact CZ-OE1 3.84Å; R154-E158 IonicContact NE-OE1 3.35Å; R154-E158 PolarHBondContact NE-OE1 3.42Å; R154-E158 IonicContact NH2-OE1 3.19Å; R154-E158 PolarHBondContact NH2-OE1 3.16Å; R154-E158 WeakPolarHBondContact O-CG 3.12Å; R154-E158 PolarHBondContact O-N 3.26Å |
| 155 | F | 67.9 | Low | 64.5 | Low | 102 Ų | 102 | 77.2 Ų | 77.2 | 45% | 0.447 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.7 | -40.2 | 179.7 | -176.6 | -95.9 | 0 | 0 | 0 | 112.8 | E151 I152 L157 E158 A159 F308 | E151-F155 WeakPolarHBondContact O-CB 3.2Å; E151-F155 PolarHBondContact O-N 3.46Å; I152-F155 PolarHBondContact O-N 2.96Å; I152-F155 VanDerWaalsContact O-N 3.15Å; F155-L157 VanDerWaalsContact C-N 3.31Å; F155-L157 PolarHBondContact O-N 3.18Å; F155-E158 PolarHBondContact O-N 3.11Å; F155-A159 VanDerWaalsContact O-CB 3.26Å; F155-A159 WeakPolarHBondContact O-CB 3.33Å; F155-A159 PolarHBondContact O-N 3.47Å; F155-F308 HydrophobicContact CD1-CE1 4.26Å; F155-F308 HydrophobicContact CD1-CZ 4.02Å; F155-F308 HydrophobicContact CE1-CE1 4.35Å; F155-F308 HydrophobicContact CE1-CZ 4.46Å |
| 156 | V | 68.9 | Low | 63.9 | Low | 9 Ų | 9 | 73.8 Ų | 73.8 | 6% | 0.055 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -56.4 | -48.4 | 172.1 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | Y132 L134 I152 I153 R154 A159 A160 F308 | Y132-V156 HydrophobicContact CD1-CG1 4.12Å; Y132-V156 HydrophobicContact CD2-CG1 3.98Å; Y132-V156 HydrophobicContact CG-CG1 3.79Å; L134-V156 HydrophobicContact CD1-CB 4.12Å; L134-V156 HydrophobicContact CD1-CG1 4.14Å; L134-V156 HydrophobicContact CD1-CG2 3.81Å; L134-V156 HydrophobicContact CD2-CB 4.27Å; L134-V156 HydrophobicContact CD2-CG1 3.94Å; L134-V156 HydrophobicContact CD2-CG2 3.46Å; L134-V156 VanDerWaalsContact CD2-CG2 3.46Å; L134-V156 HydrophobicContact CG-CG2 4.28Å; I152-V156 HydrophobicContact CG2-CG2 4.34Å; I152-V156 VanDerWaalsContact O-CG2 3.25Å; I152-V156 WeakPolarHBondContact O-CG2 3.32Å; I152-V156 PolarHBondContact O-N 3.48Å; I153-V156 PolarHBondContact O-N 2.91Å; R154-V156 PolarHBondContact O-N 3.43Å; V156-A159 PolarHBondContact O-N 3.22Å; V156-A160 VanDerWaalsContact O-CB 3.31Å; V156-A160 WeakPolarHBondContact O-CB 3.4Å; V156-A160 PolarHBondContact O-N 3.45Å; V156-F308 HydrophobicContact CB-CZ 4.45Å; V156-F308 HydrophobicContact CG2-CE1 3.97Å; V156-F308 HydrophobicContact CG2-CE2 4.31Å; V156-F308 HydrophobicContact CG2-CZ 3.39Å |
| 157 | L | 69.7 | Low | 63.4 | Low | 16 Ų | 16 | 72.2 Ų | 72.2 | 8% | 0.084 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -74 | -33 | -174.6 | -68.8 | 173.7 | 0 | 0 | 0 | 112.6 | F125 L128 Y132 I153 R154 F155 W161 | F125-L157 HydrophobicContact CD1-CD1 3.69Å; F125-L157 HydrophobicContact CE1-CD1 3.56Å; L128-L157 HydrophobicContact CB-CD1 4.39Å; L128-L157 HydrophobicContact CB-CD2 3.97Å; L128-L157 HydrophobicContact CD1-CD1 3.9Å; L128-L157 HydrophobicContact CD1-CD2 3.85Å; L128-L157 HydrophobicContact CD2-CD2 3.84Å; L128-L157 HydrophobicContact CG-CD2 4.1Å; Y132-L157 HydrophobicContact CD2-CD2 3.94Å; Y132-L157 HydrophobicContact CE2-CD2 3.52Å; I153-L157 HydrophobicContact CG2-CD1 3.85Å; I153-L157 WeakPolarHBondContact O-CB 3.23Å; I153-L157 VanDerWaalsContact O-CG 3.23Å; I153-L157 WeakPolarHBondContact O-CG 3.4Å; I153-L157 PolarHBondContact O-N 3.07Å; I153-L157 VanDerWaalsContact O-N 3.1Å; R154-L157 PolarHBondContact O-N 2.9Å; R154-L157 VanDerWaalsContact O-N 3.16Å; F155-L157 VanDerWaalsContact C-N 3.31Å; F155-L157 PolarHBondContact O-N 3.18Å; L157-W161 PolarHBondContact O-N 2.91Å |
| 158 | E | 67 | Low | 62.8 | Low | 34 Ų | 34 | 74.7 Ų | 74.7 | 16% | 0.159 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.9 | -56.4 | 167.4 | -71.7 | -166.8 | -146.9 | 0 | 0 | 109.4 | R154 F155 A160 W161 T164 S166 | R154-E158 HydrophobicContact CG-CG 4.43Å; R154-E158 IonicContact CZ-OE1 3.84Å; R154-E158 IonicContact NE-OE1 3.35Å; R154-E158 PolarHBondContact NE-OE1 3.42Å; R154-E158 IonicContact NH2-OE1 3.19Å; R154-E158 PolarHBondContact NH2-OE1 3.16Å; R154-E158 WeakPolarHBondContact O-CG 3.12Å; R154-E158 PolarHBondContact O-N 3.26Å; F155-E158 PolarHBondContact O-N 3.11Å; E158-A160 VanDerWaalsContact C-N 3.33Å; E158-A160 PolarHBondContact O-N 2.91Å; E158-W161 PolarHBondContact O-N 3.4Å; E158-W161 VanDerWaalsContact O-N 3.13Å; E158-T164 VanDerWaalsContact C-OG1 3.3Å; E158-T164 HydrophobicContact CB-CG2 4.35Å; E158-T164 VanDerWaalsContact O-CB 3.27Å; E158-T164 WeakPolarHBondContact O-CB 3.49Å; E158-T164 WeakPolarHBondContact O-CG2 3.39Å; E158-T164 PolarHBondContact O-OG1 3.19Å; E158-S166 WeakPolarHBondContact CB-OG 3.33Å; E158-S166 PolarHBondContact OE2-OG 2.92Å |
| 159 | A | 62.9 | Low | 62.3 | Low | 43 Ų | 43 | 74.3 Ų | 74.3 | 36% | 0.355 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58 | -37.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | F155 V156 W161 C167 | F155-A159 VanDerWaalsContact O-CB 3.26Å; F155-A159 WeakPolarHBondContact O-CB 3.33Å; F155-A159 PolarHBondContact O-N 3.47Å; V156-A159 PolarHBondContact O-N 3.22Å; A159-W161 VanDerWaalsContact C-N 3.32Å; A159-W161 PolarHBondContact O-N 3.42Å; A159-C167 PolarHBondContact O-SG 2.89Å |
| 160 | A | 64.8 | Low | 61.9 | Low | 42 Ų | 42 | 78.3 Ų | 78.3 | 35% | 0.347 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -75.3 | -18.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | Y132 V156 E158 | Y132-A160 HydrophobicContact CE1-CB 3.8Å; Y132-A160 HydrophobicContact CE2-CB 4.48Å; Y132-A160 WeakPolarHBondContact OH-CB 3.23Å; V156-A160 VanDerWaalsContact O-CB 3.31Å; V156-A160 WeakPolarHBondContact O-CB 3.4Å; V156-A160 PolarHBondContact O-N 3.45Å; E158-A160 VanDerWaalsContact C-N 3.33Å; E158-A160 PolarHBondContact O-N 2.91Å |
| 161 | W | 65.2 | Low | 61.2 | Low | 178 Ų | 178 | 79.9 Ų | 79.9 | 67% | 0.674 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -87.8 | 109.7 | 171.1 | -86.1 | -30.9 | 0 | 0 | 0 | 110 | L157 E158 A159 N163 T164 | L157-W161 PolarHBondContact O-N 2.91Å; E158-W161 PolarHBondContact O-N 3.4Å; E158-W161 VanDerWaalsContact O-N 3.13Å; A159-W161 VanDerWaalsContact C-N 3.32Å; A159-W161 PolarHBondContact O-N 3.42Å; W161-N163 PolarHBondContact O-N 3.13Å; W161-T164 HydrophobicContact CB-CG2 3.41Å; W161-T164 VanDerWaalsContact CB-CG2 3.41Å; W161-T164 HydrophobicContact CE3-CG2 4.08Å; W161-T164 HydrophobicContact CG-CG2 4.4Å; W161-T164 WeakPolarHBondContact O-CG2 3.17Å; W161-T164 PolarHBondContact O-N 3.41Å; W161-T164 VanDerWaalsContact O-N 3.14Å; W161-T164 PolarHBondContact O-OG1 3.42Å; W161-T164 VanDerWaalsContact O-OG1 3.08Å |
| 162 | K | 56.4 | Low | 60.7 | Low | 202 Ų | 202 | 80.9 Ų | 80.9 | 88% | 0.878 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | -5.6 | -178.8 | -64 | -169.2 | 173.1 | -166.2 | 0 | 118 | ||
| 163 | N | 52.7 | Low | 60 | Low | 126 Ų | 126 | 84.2 Ų | 84.2 | 67% | 0.674 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.1 | 8.4 | -173.2 | -92.8 | -40.5 | 0 | 0 | 0 | 114.4 | W161 R168 | W161-N163 PolarHBondContact O-N 3.13Å; N163-R168 PolarHBondContact O-NE 3.42Å |
| 164 | T | 55.2 | Low | 59 | Low | 19 Ų | 19 | 90.6 Ų | 90.6 | 12% | 0.117 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -81 | 167 | -169.9 | 53.6 | 0 | 0 | 0 | 0 | 114.6 | E158 W161 S166 C167 R168 | E158-T164 VanDerWaalsContact C-OG1 3.3Å; E158-T164 HydrophobicContact CB-CG2 4.35Å; E158-T164 VanDerWaalsContact O-CB 3.27Å; E158-T164 WeakPolarHBondContact O-CB 3.49Å; E158-T164 WeakPolarHBondContact O-CG2 3.39Å; E158-T164 PolarHBondContact O-OG1 3.19Å; W161-T164 HydrophobicContact CB-CG2 3.41Å; W161-T164 VanDerWaalsContact CB-CG2 3.41Å; W161-T164 HydrophobicContact CE3-CG2 4.08Å; W161-T164 HydrophobicContact CG-CG2 4.4Å; W161-T164 WeakPolarHBondContact O-CG2 3.17Å; W161-T164 PolarHBondContact O-N 3.41Å; W161-T164 VanDerWaalsContact O-N 3.14Å; W161-T164 PolarHBondContact O-OG1 3.42Å; W161-T164 VanDerWaalsContact O-OG1 3.08Å; T164-S166 VanDerWaalsContact C-N 3.31Å; T164-S166 PolarHBondContact O-N 2.84Å; T164-C167 PolarHBondContact O-N 3.34Å; T164-R168 WeakPolarHBondContact O-CG 3.43Å; T164-R168 PolarHBondContact O-N 3.15Å |
| 165 | I | 54.7 | Low | 57.7 | Low | 109 Ų | 109 | 92.8 Ų | 92.8 | 56% | 0.559 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -59.1 | -43.8 | 177.7 | -62.9 | 168.1 | 0 | 0 | 0 | 109.9 | C167 R168 Q169 | I165-C167 PolarHBondContact O-N 3.4Å; I165-R168 PolarHBondContact O-N 2.81Å; I165-Q169 HydrophobicContact CG2-CG 4.2Å; I165-Q169 WeakPolarHBondContact O-CB 3.36Å; I165-Q169 VanDerWaalsContact O-CG 3.28Å; I165-Q169 WeakPolarHBondContact O-CG 3.28Å; I165-Q169 PolarHBondContact O-N 3.34Å |
| 166 | S | 49.7 | Very low | 56.6 | Low | 12 Ų | 12 | 94.5 Ų | 94.5 | 8% | 0.084 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -57.9 | -48 | 175.9 | -52 | 0 | 0 | 0 | 0 | 113.1 | E158 T164 R168 Q169 L170 | E158-S166 WeakPolarHBondContact CB-OG 3.33Å; E158-S166 PolarHBondContact OE2-OG 2.92Å; T164-S166 VanDerWaalsContact C-N 3.31Å; T164-S166 PolarHBondContact O-N 2.84Å; S166-R168 PolarHBondContact O-N 3.28Å; S166-Q169 PolarHBondContact O-N 3.42Å; S166-L170 PolarHBondContact O-N 2.95Å |
| 167 | C | 51.3 | Low | 55.3 | Low | 38 Ų | 38 | 104.5 Ų | 104.5 | 26% | 0.257 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 176.8 | -65.9 | 0 | 0 | 0 | 0 | 112.1 | A159 T164 I165 L170 Y171 | A159-C167 PolarHBondContact O-SG 2.89Å; T164-C167 PolarHBondContact O-N 3.34Å; I165-C167 PolarHBondContact O-N 3.4Å; C167-L170 PolarHBondContact O-N 3.35Å; C167-Y171 WeakPolarHBondContact O-CB 3.37Å; C167-Y171 PolarHBondContact O-N 3.2Å |
| 168 | R | 55.7 | Low | 53.9 | Low | 154 Ų | 154 | 107.9 Ų | 107.9 | 58% | 0.581 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.6 | -36.6 | 176.1 | -71.2 | 177.4 | -178.6 | -160.7 | -2.3 | 112.7 | N163 T164 I165 S166 Y171 N172 | N163-R168 PolarHBondContact O-NE 3.42Å; T164-R168 WeakPolarHBondContact O-CG 3.43Å; T164-R168 PolarHBondContact O-N 3.15Å; I165-R168 PolarHBondContact O-N 2.81Å; S166-R168 PolarHBondContact O-N 3.28Å; R168-Y171 PolarHBondContact O-N 3.44Å; R168-N172 WeakPolarHBondContact O-CB 3.49Å; R168-N172 PolarHBondContact O-N 3.42Å; R168-N172 PolarHBondContact O-ND2 3.16Å; R168-N172 PolarHBondContact O-OD1 2.88Å |
| 169 | Q | 58 | Low | 52.6 | Low | 114 Ų | 114 | 112.8 Ų | 112.8 | 53% | 0.533 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65 | -44.2 | 175.5 | -77.7 | 171.7 | -28.6 | 0 | 0 | 110.9 | I165 S166 N172 I173 | I165-Q169 HydrophobicContact CG2-CG 4.2Å; I165-Q169 WeakPolarHBondContact O-CB 3.36Å; I165-Q169 VanDerWaalsContact O-CG 3.28Å; I165-Q169 WeakPolarHBondContact O-CG 3.28Å; I165-Q169 PolarHBondContact O-N 3.34Å; S166-Q169 PolarHBondContact O-N 3.42Å; Q169-N172 PolarHBondContact O-N 2.97Å; Q169-I173 WeakPolarHBondContact O-CD1 3.43Å; Q169-I173 VanDerWaalsContact O-CG1 3.25Å; Q169-I173 WeakPolarHBondContact O-CG1 3.27Å; Q169-I173 PolarHBondContact O-N 3Å |
| 170 | L | 56.3 | Low | 51.6 | Low | 103 Ų | 103 | 119 Ų | 119 | 54% | 0.539 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -59.9 | -48.4 | 172.7 | -75.5 | 163.8 | 0 | 0 | 0 | 111.8 | S166 C167 N172 I173 E174 | S166-L170 PolarHBondContact O-N 2.95Å; C167-L170 PolarHBondContact O-N 3.35Å; L170-N172 VanDerWaalsContact C-N 3.31Å; L170-N172 PolarHBondContact O-N 3.2Å; L170-I173 PolarHBondContact O-N 2.85Å; L170-I173 VanDerWaalsContact O-N 3.1Å; L170-E174 PolarHBondContact O-N 2.8Å |
| 171 | Y | 54.2 | Low | 50.5 | Low | 145 Ų | 145 | 124.6 Ų | 124.6 | 57% | 0.569 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -59.7 | -40 | 178.4 | -133 | -102.6 | 0 | 0 | 0 | 112.5 | C167 R168 E174 F175 | C167-Y171 WeakPolarHBondContact O-CB 3.37Å; C167-Y171 PolarHBondContact O-N 3.2Å; R168-Y171 PolarHBondContact O-N 3.44Å; Y171-E174 PolarHBondContact O-N 3.16Å; Y171-F175 AromaticContact CD1-CD2 3.77Å; Y171-F175 HydrophobicContact CD1-CD2 3.77Å; Y171-F175 AromaticContact CD1-CE2 3.78Å; Y171-F175 HydrophobicContact CD1-CE2 3.78Å; Y171-F175 AromaticContact CE1-CD2 3.89Å; Y171-F175 HydrophobicContact CE1-CD2 3.89Å; Y171-F175 AromaticContact CE1-CE2 3.38Å; Y171-F175 HydrophobicContact CE1-CE2 3.38Å; Y171-F175 HydrophobicContact CE1-CZ 4.32Å; Y171-F175 WeakPolarHBondContact O-CB 3.37Å; Y171-F175 PolarHBondContact O-N 3.1Å |
| 172 | N | 55.1 | Low | 49.2 | Very low | 100 Ų | 100 | 124.3 Ų | 124.3 | 54% | 0.535 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -70.3 | -30.1 | 177.1 | -69.8 | -6.2 | 0 | 0 | 0 | 112.7 | R168 Q169 L170 N176 | R168-N172 WeakPolarHBondContact O-CB 3.49Å; R168-N172 PolarHBondContact O-N 3.42Å; R168-N172 PolarHBondContact O-ND2 3.16Å; R168-N172 PolarHBondContact O-OD1 2.88Å; Q169-N172 PolarHBondContact O-N 2.97Å; L170-N172 VanDerWaalsContact C-N 3.31Å; L170-N172 PolarHBondContact O-N 3.2Å; N172-N176 VanDerWaalsContact O-CB 3.29Å; N172-N176 WeakPolarHBondContact O-CB 3.29Å; N172-N176 VanDerWaalsContact O-CG 3.23Å; N172-N176 PolarHBondContact O-N 3.1Å; N172-N176 VanDerWaalsContact O-N 3.07Å |
| 173 | I | 53.7 | Low | 48.2 | Very low | 117 Ų | 117 | 120 Ų | 120 | 60% | 0.6 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.5 | -39.3 | 173.9 | -69.4 | 161.8 | 0 | 0 | 0 | 110.5 | Q169 L170 | Q169-I173 WeakPolarHBondContact O-CD1 3.43Å; Q169-I173 VanDerWaalsContact O-CG1 3.25Å; Q169-I173 WeakPolarHBondContact O-CG1 3.27Å; Q169-I173 PolarHBondContact O-N 3Å; L170-I173 PolarHBondContact O-N 2.85Å; L170-I173 VanDerWaalsContact O-N 3.1Å |
| 174 | E | 49.4 | Very low | 47.6 | Very low | 140 Ų | 140 | 121.9 Ų | 121.9 | 65% | 0.654 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.5 | -41.6 | 176.3 | -70 | -176.4 | 156.5 | 0 | 0 | 112.2 | L170 Y171 R177 | L170-E174 PolarHBondContact O-N 2.8Å; Y171-E174 PolarHBondContact O-N 3.16Å; E174-R177 WeakPolarHBondContact O-CB 3.4Å; E174-R177 PolarHBondContact O-N 3.49Å |
| 175 | F | 42.9 | Very low | 46.8 | Very low | 145 Ų | 145 | 130.6 Ų | 130.6 | 64% | 0.636 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -70.2 | -29.4 | 177.2 | -95 | -96.1 | 0 | 0 | 0 | 114.3 | Y171 R177 | Y171-F175 AromaticContact CD1-CD2 3.77Å; Y171-F175 HydrophobicContact CD1-CD2 3.77Å; Y171-F175 AromaticContact CD1-CE2 3.78Å; Y171-F175 HydrophobicContact CD1-CE2 3.78Å; Y171-F175 AromaticContact CE1-CD2 3.89Å; Y171-F175 HydrophobicContact CE1-CD2 3.89Å; Y171-F175 AromaticContact CE1-CE2 3.38Å; Y171-F175 HydrophobicContact CE1-CE2 3.38Å; Y171-F175 HydrophobicContact CE1-CZ 4.32Å; Y171-F175 WeakPolarHBondContact O-CB 3.37Å; Y171-F175 PolarHBondContact O-N 3.1Å; F175-R177 PolarHBondContact O-N 3.25Å |
| 176 | N | 44.8 | Very low | 45.8 | Very low | 138 Ų | 138 | 128.2 Ų | 128.2 | 74% | 0.738 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -1.8 | 173.1 | -74.9 | -4.8 | 0 | 0 | 0 | 113.2 | N172 S178 | N172-N176 VanDerWaalsContact O-CB 3.29Å; N172-N176 WeakPolarHBondContact O-CB 3.29Å; N172-N176 VanDerWaalsContact O-CG 3.23Å; N172-N176 PolarHBondContact O-N 3.1Å; N172-N176 VanDerWaalsContact O-N 3.07Å; N176-S178 PolarHBondContact O-N 2.95Å |
| 177 | R | 40.5 | Very low | 45.1 | Very low | 219 Ų | 219 | 135 Ų | 135 | 83% | 0.826 | 68% | 0.681 | S | S | * | * | trans | -88.4 | 43.7 | 175.5 | -134.3 | 174.2 | -173.2 | 175.4 | 1.7 | 112.1 | E174 F175 T179 | E174-R177 WeakPolarHBondContact O-CB 3.4Å; E174-R177 PolarHBondContact O-N 3.49Å; F175-R177 PolarHBondContact O-N 3.25Å; R177-T179 PolarHBondContact O-N 2.81Å | ||
| 178 | S | 41.7 | Very low | 44.5 | Very low | 87 Ų | 87 | 139.9 Ų | 139.9 | 61% | 0.608 | 70% | 0.704 | S | S | * | * | trans | -77.1 | 88.7 | 175.9 | 61.3 | 0 | 0 | 0 | 0 | 111.9 | N176 E180 | N176-S178 PolarHBondContact O-N 2.95Å; S178-E180 PolarHBondContact O-N 3.49Å | ||
| 179 | T | 39.2 | Very low | 43.8 | Very low | 138 Ų | 138 | 140.8 Ų | 140.8 | 85% | 0.847 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 64.4 | -12.4 | 138.4 | 47.4 | 0 | 0 | 0 | 0 | 123.3 | R177 | R177-T179 PolarHBondContact O-N 2.81Š|
| 180 | E | 41.6 | Very low | 42.9 | Very low | 173 Ų | 173 | 142.2 Ų | 142.2 | 81% | 0.808 | 73% | 0.726 | S | S | * | * | trans | -125.3 | -27.3 | -173.5 | -65.2 | -166.1 | 158.3 | 0 | 0 | 118.9 | S178 E182 | S178-E180 PolarHBondContact O-N 3.49Å; E180-E182 PolarHBondContact O-N 3.24Å | ||
| 181 | D | 41.6 | Very low | 42.3 | Very low | 160 Ų | 160 | 142 Ų | 142 | 86% | 0.856 | 73% | 0.726 | S | S | * | * | trans | -93 | 102.3 | -167.3 | -70.8 | -34.9 | 0 | 0 | 0 | 116.8 | ||||
| 182 | E | 38.3 | Very low | 42 | Very low | 172 Ų | 172 | 140 Ų | 140 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | trans | 45.8 | 132.8 | 138 | -60.4 | -163.8 | 142.2 | 0 | 0 | 122.7 | E180 I184 | E180-E182 PolarHBondContact O-N 3.24Å; E182-I184 PolarHBondContact O-N 3.22Å; E182-I184 VanDerWaalsContact O-N 3.12Å | ||
| 183 | S | 35.6 | Very low | 41.7 | Very low | 112 Ų | 112 | 143 Ų | 143 | 78% | 0.783 | 74% | 0.741 | S | S | * | * | trans | -70.4 | 99.8 | 167.4 | 56.9 | 0 | 0 | 0 | 0 | 112.1 | K185 | S183-K185 PolarHBondContact O-N 2.88Š| ||
| 184 | I | 41.1 | Very low | 41.6 | Very low | 165 Ų | 165 | 141.4 Ų | 141.4 | 85% | 0.846 | 73% | 0.733 | S | S | * | * | trans | -66.6 | 100.6 | 171.1 | -61.1 | 178.8 | 0 | 0 | 0 | 109.7 | E182 | E182-I184 PolarHBondContact O-N 3.22Å; E182-I184 VanDerWaalsContact O-N 3.12Å | ||
| 185 | K | 37.8 | Very low | 41.5 | Very low | 202 Ų | 202 | 139.2 Ų | 139.2 | 88% | 0.878 | 73% | 0.729 | S | S | * | * | trans | -115 | 82.4 | 177.1 | -169.9 | -175.3 | -176.5 | -177.2 | 0 | 109.6 | S183 | S183-K185 PolarHBondContact O-N 2.88Š| ||
| 186 | G | 32.6 | Very low | 41.7 | Very low | 58 Ų | 58 | 137.2 Ų | 137.2 | 60% | 0.598 | 72% | 0.724 | S | S | * | * | trans | 108.6 | 108.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 187 | L | 34.7 | Very low | 42.2 | Very low | 154 Ų | 154 | 135 Ų | 135 | 81% | 0.806 | 71% | 0.713 | S | S | * | * | trans | 179.5 | 98.5 | 150 | -119.3 | 83.1 | 0 | 0 | 0 | 102 | ||||
| 188 | L | 40 | Very low | 42.8 | Very low | 141 Ų | 141 | 129.5 Ų | 129.5 | 74% | 0.738 | 70% | 0.699 | S | S | * | * | cis | 56.7 | 88.7 | 35.4 | -108.9 | 171.1 | 0 | 0 | 0 | 111.9 | ||||
| 189 | E | 40.2 | Very low | 43.1 | Very low | 174 Ų | 174 | 130.6 Ų | 130.6 | 81% | 0.813 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 48.4 | 76.3 | 147.8 | -66 | 176.3 | 175.6 | 0 | 0 | 117.5 | ||
| 190 | D | 39.9 | Very low | 43.7 | Very low | 144 Ų | 144 | 128.2 Ų | 128.2 | 77% | 0.77 | 68% | 0.68 | S | S | * | * | trans | -146.2 | 170.2 | 145.2 | -104.2 | -39.5 | 0 | 0 | 0 | 110.6 | S192 | D190-S192 PolarHBondContact O-N 3.5Š| ||
| 191 | D | 43.6 | Very low | 44.2 | Very low | 99 Ų | 99 | 125.1 Ų | 125.1 | 53% | 0.529 | 67% | 0.669 | S | S | . | * | trans | 72.8 | 3.4 | 174.5 | -72.5 | -22.1 | 0 | 0 | 0 | 121.1 | K193 N194 | D191-K193 PolarHBondContact O-N 3.36Å; D191-N194 HydrophobicContact CB-CB 4.29Å; D191-N194 PolarHBondContact O-N 3.36Å; D191-N194 PolarHBondContact OD1-ND2 3.1Å | ||
| 192 | S | 46.9 | Very low | 44.6 | Very low | 101 Ų | 101 | 122 Ų | 122 | 71% | 0.706 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -62.4 | -23.5 | 166.4 | 63.7 | 0 | 0 | 0 | 0 | 113.4 | D190 | D190-S192 PolarHBondContact O-N 3.5Å |
| 193 | K | 48.6 | Very low | 45.2 | Very low | 164 Ų | 164 | 118 Ų | 118 | 71% | 0.713 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -73.6 | -44.4 | 170.9 | -100.2 | 178.1 | 172.2 | 177.6 | 0 | 113.3 | D191 V195 I196 D197 | D191-K193 PolarHBondContact O-N 3.36Å; K193-V195 PolarHBondContact O-N 3.39Å; K193-V195 VanDerWaalsContact O-N 3.16Å; K193-I196 PolarHBondContact O-N 3.23Å; K193-D197 PolarHBondContact O-N 3.29Å |
| 194 | N | 53.3 | Low | 45.9 | Very low | 83 Ų | 83 | 117.9 Ų | 117.9 | 44% | 0.444 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -60.7 | -28.9 | -175.9 | -102.1 | -37.9 | 0 | 0 | 0 | 112.7 | D191 N198 | D191-N194 HydrophobicContact CB-CB 4.29Å; D191-N194 PolarHBondContact O-N 3.36Å; D191-N194 PolarHBondContact OD1-ND2 3.1Å; N194-N198 WeakPolarHBondContact O-CB 3.39Å; N194-N198 PolarHBondContact O-N 3.11Å; N194-N198 VanDerWaalsContact O-N 3.15Å; N194-N198 PolarHBondContact O-ND2 3.08Å |
| 195 | V | 46.2 | Very low | 46.3 | Very low | 94 Ų | 94 | 116.9 Ų | 116.9 | 57% | 0.57 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71.6 | -34.9 | 175.9 | -177.9 | 0 | 0 | 0 | 0 | 112.5 | K193 L199 | K193-V195 PolarHBondContact O-N 3.39Å; K193-V195 VanDerWaalsContact O-N 3.16Å; V195-L199 HydrophobicContact CG1-CD1 4.43Å; V195-L199 PolarHBondContact O-N 3.32Å |
| 196 | I | 48.4 | Very low | 47 | Very low | 103 Ų | 103 | 112.8 Ų | 112.8 | 53% | 0.528 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -76.3 | -41.7 | 178.9 | -64.8 | 177.4 | 0 | 0 | 0 | 110.6 | K193 N198 L199 N200 | K193-I196 PolarHBondContact O-N 3.23Å; I196-N198 PolarHBondContact O-N 2.98Å; I196-L199 WeakPolarHBondContact O-CB 3.34Å; I196-L199 PolarHBondContact O-N 3.05Å; I196-L199 VanDerWaalsContact O-N 3.09Å; I196-N200 PolarHBondContact O-N 2.96Å; I196-N200 PolarHBondContact O-ND2 2.72Å |
| 197 | D | 54.3 | Low | 47.8 | Very low | 93 Ų | 93 | 117.6 Ų | 117.6 | 50% | 0.497 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65.4 | -41.1 | 179.2 | -65.8 | -27.9 | 0 | 0 | 0 | 111.2 | K193 L199 N200 D201 | K193-D197 PolarHBondContact O-N 3.29Å; D197-L199 VanDerWaalsContact C-N 3.27Å; D197-L199 PolarHBondContact O-N 3.2Å; D197-N200 PolarHBondContact O-N 3.29Å; D197-D201 PolarHBondContact O-N 3.28Å; D197-D201 VanDerWaalsContact O-N 3.12Å |
| 198 | N | 53.6 | Low | 48.4 | Very low | 102 Ų | 102 | 117.1 Ų | 117.1 | 55% | 0.545 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.6 | -23.9 | 171.9 | -79.7 | -64.3 | 0 | 0 | 0 | 114 | N194 I196 V202 | N194-N198 WeakPolarHBondContact O-CB 3.39Å; N194-N198 PolarHBondContact O-N 3.11Å; N194-N198 VanDerWaalsContact O-N 3.15Å; N194-N198 PolarHBondContact O-ND2 3.08Å; I196-N198 PolarHBondContact O-N 2.98Å; N198-V202 WeakPolarHBondContact O-CG2 3.4Å |
| 199 | L | 47 | Very low | 48.8 | Very low | 111 Ų | 111 | 116.5 Ų | 116.5 | 58% | 0.581 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -77.6 | -35.6 | 173.8 | -91.3 | 163.4 | 0 | 0 | 0 | 112.1 | V195 I196 D197 | V195-L199 HydrophobicContact CG1-CD1 4.43Å; V195-L199 PolarHBondContact O-N 3.32Å; I196-L199 WeakPolarHBondContact O-CB 3.34Å; I196-L199 PolarHBondContact O-N 3.05Å; I196-L199 VanDerWaalsContact O-N 3.09Å; D197-L199 VanDerWaalsContact C-N 3.27Å; D197-L199 PolarHBondContact O-N 3.2Å |
| 200 | N | 53.2 | Low | 48.9 | Very low | 88 Ų | 88 | 115.5 Ų | 115.5 | 47% | 0.471 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -69.7 | -39.6 | 176.7 | -69.2 | -33.5 | 0 | 0 | 0 | 111.9 | I196 D197 V202 V203 D204 | I196-N200 PolarHBondContact O-N 2.96Å; I196-N200 PolarHBondContact O-ND2 2.72Å; D197-N200 PolarHBondContact O-N 3.29Å; N200-V202 PolarHBondContact O-N 2.81Å; N200-V203 WeakPolarHBondContact O-CB 3.5Å; N200-V203 PolarHBondContact O-N 2.81Å; N200-D204 PolarHBondContact O-N 2.79Å; N200-D204 VanDerWaalsContact O-N 3.14Å |
| 201 | D | 51.1 | Low | 49 | Very low | 108 Ų | 108 | 115.7 Ų | 115.7 | 58% | 0.578 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61.4 | -30.5 | 179.7 | -131.2 | 15.2 | 0 | 0 | 0 | 112.4 | D197 H205 | D197-D201 PolarHBondContact O-N 3.28Å; D197-D201 VanDerWaalsContact O-N 3.12Å; D201-H205 WeakPolarHBondContact O-CB 3.11Å; D201-H205 PolarHBondContact O-N 3.13Å |
| 202 | V | 50 | Low | 48.9 | Very low | 93 Ų | 93 | 117.2 Ų | 117.2 | 56% | 0.564 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -75.4 | -24.9 | 174.7 | 176.2 | 0 | 0 | 0 | 0 | 112.7 | N198 N200 N206 | N198-V202 WeakPolarHBondContact O-CG2 3.4Å; N200-V202 PolarHBondContact O-N 2.81Å; V202-N206 PolarHBondContact O-ND2 3.36Å |
| 203 | V | 51.1 | Low | 48.5 | Very low | 90 Ų | 90 | 123.5 Ų | 123.5 | 55% | 0.545 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -76 | -44.9 | 175.7 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | N200 N206 | N200-V203 WeakPolarHBondContact O-CB 3.5Å; N200-V203 PolarHBondContact O-N 2.81Å; V203-N206 PolarHBondContact O-N 2.75Å |
| 204 | D | 50.5 | Low | 48 | Very low | 108 Ų | 108 | 122.4 Ų | 122.4 | 58% | 0.578 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -71.8 | -33.3 | -178.9 | -78.2 | -14.8 | 0 | 0 | 0 | 113 | N200 N206 Q207 | N200-D204 PolarHBondContact O-N 2.79Å; N200-D204 VanDerWaalsContact O-N 3.14Å; D204-N206 PolarHBondContact O-N 3.28Å; D204-N206 VanDerWaalsContact O-N 3.1Å; D204-Q207 PolarHBondContact O-N 3.13Å; D204-Q207 VanDerWaalsContact O-N 3.16Å |
| 205 | H | 50.4 | Low | 47.2 | Very low | 144 Ų | 144 | 122 Ų | 122 | 67% | 0.667 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -21.7 | 177.3 | -123.6 | 74.9 | 0 | 0 | 0 | 114.1 | D201 | D201-H205 WeakPolarHBondContact O-CB 3.11Å; D201-H205 PolarHBondContact O-N 3.13Å |
| 206 | N | 51.2 | Low | 46.8 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 62% | 0.62 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -11.3 | 179.7 | -80.5 | -66.5 | 0 | 0 | 0 | 114.3 | V202 V203 D204 | V202-N206 PolarHBondContact O-ND2 3.36Å; V203-N206 PolarHBondContact O-N 2.75Å; D204-N206 PolarHBondContact O-N 3.28Å; D204-N206 VanDerWaalsContact O-N 3.1Å |
| 207 | Q | 49 | Very low | 46.2 | Very low | 160 Ų | 160 | 132.3 Ų | 132.3 | 75% | 0.748 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -17.9 | 177.7 | -66.4 | -161.5 | 3.7 | 0 | 0 | 114.3 | D204 | D204-Q207 PolarHBondContact O-N 3.13Å; D204-Q207 VanDerWaalsContact O-N 3.16Å |
| 208 | N | 48.8 | Very low | 45.6 | Very low | 144 Ų | 144 | 133.2 Ų | 133.2 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -100.3 | 3.5 | -168 | -122.2 | -17.9 | 0 | 0 | 0 | 115.9 | N210 | N208-N210 VanDerWaalsContact C-N 3.26Å; N208-N210 PolarHBondContact O-N 3.34Å |
| 209 | I | 46.7 | Very low | 44.8 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 65% | 0.651 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -4.4 | -168.2 | -67.8 | 175.3 | 0 | 0 | 0 | 114.4 | ||
| 210 | N | 43.5 | Very low | 44.6 | Very low | 153 Ų | 153 | 134.7 Ų | 134.7 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -6.5 | -174.1 | -80.3 | -29.6 | 0 | 0 | 0 | 116.7 | N208 | N208-N210 VanDerWaalsContact C-N 3.26Å; N208-N210 PolarHBondContact O-N 3.34Å |
| 211 | N | 40.9 | Very low | 43.8 | Very low | 149 Ų | 149 | 137.3 Ų | 137.3 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -139.3 | 89.5 | -176.3 | -82.6 | -38.3 | 0 | 0 | 0 | 114.3 | ||
| 212 | S | 42 | Very low | 43.2 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 91% | 0.909 | 75% | 0.748 | S | S | * | * | trans | 177.9 | 138 | 133.8 | 38.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 213 | R | 37.9 | Very low | 42.6 | Very low | 233 Ų | 233 | 143.1 Ų | 143.1 | 88% | 0.879 | 76% | 0.758 | S | S | * | * | trans | -131 | 151.2 | -178.9 | -173.4 | 178.3 | 178.5 | 167 | -1.3 | 108.4 | ||||
| 214 | T | 38.9 | Very low | 42.2 | Very low | 142 Ų | 142 | 143.6 Ų | 143.6 | 87% | 0.871 | 76% | 0.761 | S | S | * | * | trans | 82.6 | 140 | 175.3 | 79 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 215 | G | 36.8 | Very low | 41.6 | Very low | 74 Ų | 74 | 145.6 Ų | 145.6 | 76% | 0.763 | 77% | 0.772 | S | S | * | * | trans | 164.1 | 21.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 216 | K | 37.1 | Very low | 41.3 | Very low | 217 Ų | 217 | 145.6 Ų | 145.6 | 94% | 0.943 | 78% | 0.777 | S | S | * | * | trans | 64.6 | 167.7 | 164.8 | -75.6 | 179.1 | 172.9 | 177.9 | 0 | 119.5 | ||||
| 217 | K | 36.3 | Very low | 41.1 | Very low | 196 Ų | 196 | 144 Ų | 144 | 85% | 0.852 | 77% | 0.769 | S | S | * | * | trans | -121.6 | 140.2 | -177 | -70.3 | 176.1 | 171.3 | -178.2 | 0 | 110.6 | ||||
| 218 | S | 40.6 | Very low | 40.6 | Very low | 113 Ų | 113 | 141.6 Ų | 141.6 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | trans | -176.3 | 159.3 | 145.2 | 48.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 219 | D | 38.6 | Very low | 40.3 | Very low | 134 Ų | 134 | 140.9 Ų | 140.9 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | cis | -159.9 | 153 | -42.6 | -103.3 | -43 | 0 | 0 | 0 | 112.6 | ||||
| 220 | V | 41.1 | Very low | 40.1 | Very low | 109 Ų | 109 | 139.1 Ų | 139.1 | 66% | 0.661 | 75% | 0.752 | S | S | * | * | trans | 44.8 | 110.5 | 145.6 | -176.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 221 | N | 37.7 | Very low | 39.7 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 77% | 0.765 | 74% | 0.741 | S | S | * | * | -177.8 | 158.2 | 111.4 | -101.9 | -46.4 | 0 | 0 | 0 | 116.5 | |||||
| 222 | H | 38.7 | Very low | 39.6 | Very low | 172 Ų | 172 | 136.3 Ų | 136.3 | 80% | 0.796 | 73% | 0.732 | S | S | * | * | trans | -23.5 | 141.9 | 175.1 | -74.3 | -93.8 | 0 | 0 | 0 | 120.6 | ||||
| 223 | I | 37 | Very low | 39.6 | Very low | 151 Ų | 151 | 135.4 Ų | 135.4 | 77% | 0.774 | 72% | 0.717 | S | S | * | * | trans | -155.2 | 151.5 | 135.1 | -99.7 | 147.5 | 0 | 0 | 0 | 110.3 | ||||
| 224 | T | 42 | Very low | 39.8 | Very low | 100 Ų | 100 | 131.1 Ų | 131.1 | 61% | 0.613 | 71% | 0.705 | S | S | * | * | trans | -63 | -176.9 | -165.7 | 34.6 | 0 | 0 | 0 | 0 | 118.7 | D226 N227 | T224-D226 VanDerWaalsContact C-N 3.32Å; T224-D226 PolarHBondContact O-N 3.14Å; T224-N227 PolarHBondContact O-ND2 2.93Å | ||
| 225 | D | 38.9 | Very low | 39.8 | Very low | 150 Ų | 150 | 130 Ų | 130 | 80% | 0.802 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 6.7 | -155.4 | -65.3 | -69.7 | 0 | 0 | 0 | 119.4 | N227 | D225-N227 PolarHBondContact O-N 3.2Å; D225-N227 VanDerWaalsContact O-N 3.09Å |
| 226 | D | 44.4 | Very low | 39.9 | Very low | 145 Ų | 145 | 134.5 Ų | 134.5 | 78% | 0.775 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -1.4 | 178.8 | -65.9 | -47.2 | 0 | 0 | 0 | 114.3 | T224 V228 | T224-D226 VanDerWaalsContact C-N 3.32Å; T224-D226 PolarHBondContact O-N 3.14Å; D226-V228 VanDerWaalsContact C-N 3.33Å; D226-V228 PolarHBondContact O-N 3.06Å |
| 227 | N | 45.2 | Very low | 40 | Very low | 83 Ų | 83 | 132.8 Ų | 132.8 | 44% | 0.444 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -72.4 | -13.4 | -169.4 | -90.8 | -64.2 | 0 | 0 | 0 | 115.7 | T224 D225 L230 M231 | T224-N227 PolarHBondContact O-ND2 2.93Å; D225-N227 PolarHBondContact O-N 3.2Å; D225-N227 VanDerWaalsContact O-N 3.09Å; N227-L230 PolarHBondContact O-N 2.98Å; N227-M231 WeakPolarHBondContact O-CB 3.42Å; N227-M231 PolarHBondContact O-N 3.44Å |
| 228 | V | 39.8 | Very low | 40 | Very low | 109 Ų | 109 | 130.3 Ų | 130.3 | 66% | 0.661 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -66.5 | -43 | -177.8 | -177.5 | 0 | 0 | 0 | 0 | 111.8 | D226 M232 | D226-V228 VanDerWaalsContact C-N 3.33Å; D226-V228 PolarHBondContact O-N 3.06Å; V228-M232 PolarHBondContact O-N 3.42Å; V228-M232 VanDerWaalsContact O-N 3.13Å |
| 229 | N | 41.7 | Very low | 39.8 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 69% | 0.69 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -72.3 | -37.6 | 176.9 | -86.2 | -29.6 | 0 | 0 | 0 | 112.2 | M231 M232 N233 | N229-M231 VanDerWaalsContact C-N 3.31Å; N229-M231 PolarHBondContact O-N 3.23Å; N229-M232 PolarHBondContact O-N 3.18Å; N229-N233 PolarHBondContact O-N 3.45Å; N229-N233 VanDerWaalsContact O-N 3.16Å |
| 230 | L | 42.7 | Very low | 40 | Very low | 89 Ų | 89 | 132.4 Ų | 132.4 | 47% | 0.466 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -66.5 | -34.2 | 176.2 | -162.4 | 71.1 | 0 | 0 | 0 | 111.9 | N227 K234 | N227-L230 PolarHBondContact O-N 2.98Å; L230-K234 WeakPolarHBondContact O-CB 3.3Å; L230-K234 PolarHBondContact O-N 3.18Å |
| 231 | M | 36.2 | Very low | 39.9 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 59% | 0.591 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -74.9 | -35.2 | 178.5 | -170.4 | 158.8 | 168.4 | 0 | 0 | 112.7 | N227 N229 M235 | N227-M231 WeakPolarHBondContact O-CB 3.42Å; N227-M231 PolarHBondContact O-N 3.44Å; N229-M231 VanDerWaalsContact C-N 3.31Å; N229-M231 PolarHBondContact O-N 3.23Å; M231-M235 HydrophobicContact CE-CE 3.8Å; M231-M235 WeakPolarHBondContact O-CB 3.39Å; M231-M235 WeakPolarHBondContact O-CG 3.44Å; M231-M235 PolarHBondContact O-N 3.26Å |
| 232 | M | 38.2 | Very low | 39.9 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 61% | 0.606 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -61.8 | -46.6 | 168.7 | -83.5 | -134.4 | -168.2 | 0 | 0 | 111.9 | V228 N229 K234 M235 Y236 | V228-M232 PolarHBondContact O-N 3.42Å; V228-M232 VanDerWaalsContact O-N 3.13Å; N229-M232 PolarHBondContact O-N 3.18Å; M232-K234 PolarHBondContact O-N 3.47Å; M232-M235 PolarHBondContact O-N 3.1Å; M232-Y236 PolarHBondContact O-N 2.92Å |
| 233 | N | 41.3 | Very low | 39.9 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 60% | 0.599 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -64 | -40.6 | 178.1 | -83 | -21.2 | 0 | 0 | 0 | 112.5 | N229 M235 Y236 Y237 | N229-N233 PolarHBondContact O-N 3.45Å; N229-N233 VanDerWaalsContact O-N 3.16Å; N233-M235 PolarHBondContact O-N 2.86Å; N233-Y236 PolarHBondContact O-N 2.83Å; N233-Y237 PolarHBondContact O-N 3.19Å |
| 234 | K | 42.9 | Very low | 39.9 | Very low | 143 Ų | 143 | 131.9 Ų | 131.9 | 62% | 0.622 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -67.4 | -31 | 173 | -80 | -179.4 | 176.4 | 171.9 | 0 | 113.2 | L230 M232 K238 | L230-K234 WeakPolarHBondContact O-CB 3.3Å; L230-K234 PolarHBondContact O-N 3.18Å; M232-K234 PolarHBondContact O-N 3.47Å; K234-K238 VanDerWaalsContact O-CB 3.23Å; K234-K238 WeakPolarHBondContact O-CB 3.4Å; K234-K238 PolarHBondContact O-N 2.91Å |
| 235 | M | 38.2 | Very low | 39.6 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 59% | 0.586 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -72.6 | -36.6 | 173.9 | -78.4 | -148.8 | -174.5 | 0 | 0 | 113 | M231 M232 N233 K238 R239 | M231-M235 HydrophobicContact CE-CE 3.8Å; M231-M235 WeakPolarHBondContact O-CB 3.39Å; M231-M235 WeakPolarHBondContact O-CG 3.44Å; M231-M235 PolarHBondContact O-N 3.26Å; M232-M235 PolarHBondContact O-N 3.1Å; N233-M235 PolarHBondContact O-N 2.86Å; M235-K238 PolarHBondContact O-N 2.87Å; M235-R239 PolarHBondContact O-N 2.96Å; M235-R239 VanDerWaalsContact O-N 3.1Å |
| 236 | Y | 39 | Very low | 39.5 | Very low | 167 Ų | 167 | 131.7 Ų | 131.7 | 66% | 0.655 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -66.2 | -48.4 | 177.8 | -103.9 | -86.3 | 0 | 0 | 0 | 112.3 | M232 N233 K238 R239 T240 | M232-Y236 PolarHBondContact O-N 2.92Å; N233-Y236 PolarHBondContact O-N 2.83Å; Y236-K238 VanDerWaalsContact C-N 3.25Å; Y236-K238 PolarHBondContact O-N 2.67Å; Y236-R239 PolarHBondContact O-N 3.37Å; Y236-R239 VanDerWaalsContact O-N 3.11Å; Y236-T240 PolarHBondContact O-N 2.8Å; Y236-T240 PolarHBondContact O-OG1 3.44Å |
| 237 | Y | 38.6 | Very low | 39 | Very low | 182 Ų | 182 | 131.9 Ų | 131.9 | 71% | 0.714 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -61.1 | -32.5 | 174 | -94.7 | -84.5 | 0 | 0 | 0 | 113.2 | N233 R239 T240 N241 | N233-Y237 PolarHBondContact O-N 3.19Å; Y237-R239 VanDerWaalsContact C-N 3.32Å; Y237-R239 PolarHBondContact O-N 2.8Å; Y237-T240 PolarHBondContact O-OG1 3.13Å; Y237-N241 WeakPolarHBondContact O-CB 3.36Å; Y237-N241 PolarHBondContact O-N 3.3Å |
| 238 | K | 36.7 | Very low | 38.4 | Very low | 143 Ų | 143 | 138.3 Ų | 138.3 | 62% | 0.622 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -80.1 | -10.6 | 178.6 | -156.3 | 167.9 | -169 | 171.4 | 0 | 113.7 | K234 M235 Y236 K242 | K234-K238 VanDerWaalsContact O-CB 3.23Å; K234-K238 WeakPolarHBondContact O-CB 3.4Å; K234-K238 PolarHBondContact O-N 2.91Å; M235-K238 PolarHBondContact O-N 2.87Å; Y236-K238 VanDerWaalsContact C-N 3.25Å; Y236-K238 PolarHBondContact O-N 2.67Å; K238-K242 WeakPolarHBondContact O-CB 3.29Å |
| 239 | R | 36.6 | Very low | 38.1 | Very low | 202 Ų | 202 | 137.5 Ų | 137.5 | 76% | 0.762 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -89.2 | -44.3 | 173.1 | -116.6 | 178.1 | -176.2 | 160.2 | 2.5 | 112.1 | M235 Y236 Y237 | M235-R239 PolarHBondContact O-N 2.96Å; M235-R239 VanDerWaalsContact O-N 3.1Å; Y236-R239 PolarHBondContact O-N 3.37Å; Y236-R239 VanDerWaalsContact O-N 3.11Å; Y237-R239 VanDerWaalsContact C-N 3.32Å; Y237-R239 PolarHBondContact O-N 2.8Å |
| 240 | T | 42.8 | Very low | 37.6 | Very low | 89 Ų | 89 | 137.6 Ų | 137.6 | 55% | 0.546 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -68 | -38.4 | 176.7 | 50.3 | 0 | 0 | 0 | 0 | 112 | Y236 Y237 K242 | Y236-T240 PolarHBondContact O-N 2.8Å; Y236-T240 PolarHBondContact O-OG1 3.44Å; Y237-T240 PolarHBondContact O-OG1 3.13Å; T240-K242 PolarHBondContact O-N 3.4Å |
| 241 | N | 38.5 | Very low | 37.2 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 56% | 0.556 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -3.1 | -177 | -138.4 | -2.9 | 0 | 0 | 0 | 114.8 | Y237 | Y237-N241 WeakPolarHBondContact O-CB 3.36Å; Y237-N241 PolarHBondContact O-N 3.3Å |
| 242 | K | 37.6 | Very low | 37.2 | Very low | 157 Ų | 157 | 138.9 Ų | 138.9 | 68% | 0.683 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -10.8 | 175.4 | -94.1 | -163.7 | 166.8 | -162.2 | 0 | 115.2 | K238 T240 | K238-K242 WeakPolarHBondContact O-CB 3.29Å; T240-K242 PolarHBondContact O-N 3.4Å |
| 243 | Q | 39.4 | Very low | 37.2 | Very low | 170 Ų | 170 | 135.3 Ų | 135.3 | 79% | 0.794 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -86.6 | -10.9 | 173.6 | -74.4 | -175.2 | -53.4 | 0 | 0 | 113.5 | ||
| 244 | N | 38 | Very low | 37.2 | Very low | 134 Ų | 134 | 136.4 Ų | 136.4 | 72% | 0.717 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -97.6 | 8.6 | 179.4 | -72.1 | -14.9 | 0 | 0 | 0 | 114.8 | ||
| 245 | L | 35.8 | Very low | 37.2 | Very low | 151 Ų | 151 | 135.9 Ų | 135.9 | 79% | 0.791 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -130.4 | 46.5 | -177.2 | -79.9 | 163.6 | 0 | 0 | 0 | 112.4 | ||
| 246 | S | 35.2 | Very low | 37.2 | Very low | 95 Ų | 95 | 134.6 Ų | 134.6 | 66% | 0.664 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -158.2 | 122.1 | 160.1 | -172.4 | 0 | 0 | 0 | 0 | 110.2 | ||
| 247 | N | 34 | Very low | 37.2 | Very low | 149 Ų | 149 | 131.4 Ų | 131.4 | 80% | 0.797 | 65% | 0.647 | S | S | * | * | S | Bend | trans | 88.7 | 126.7 | -177.7 | -59.1 | -25.1 | 0 | 0 | 0 | 117.6 | S249 | N247-S249 PolarHBondContact O-N 2.81Š|
| 248 | K | 32.6 | Very low | 37.2 | Very low | 218 Ų | 218 | 129.2 Ų | 129.2 | 95% | 0.948 | 64% | 0.641 | S | S | * | * | trans | -64.3 | 92.1 | 166.4 | -65.1 | 168.4 | 173.8 | 176.6 | 0 | 110.3 | ||||
| 249 | S | 34.4 | Very low | 37.1 | Very low | 92 Ų | 92 | 129.9 Ų | 129.9 | 64% | 0.643 | 65% | 0.651 | S | S | * | * | trans | -140.1 | 119.6 | 147.6 | 53.9 | 0 | 0 | 0 | 0 | 108.7 | N247 V251 | N247-S249 PolarHBondContact O-N 2.81Å; S249-V251 PolarHBondContact O-N 3.17Å | ||
| 250 | V | 31.3 | Very low | 37 | Very low | 130 Ų | 130 | 126.7 Ų | 126.7 | 79% | 0.788 | 65% | 0.645 | S | S | * | * | trans | -70.1 | 99.8 | 170.8 | -177 | 0 | 0 | 0 | 0 | 106.1 | K252 | V250-K252 HydrophobicContact CG1-CG 3.77Å; V250-K252 PolarHBondContact O-N 3.26Å | ||
| 251 | V | 34.5 | Very low | 36.6 | Very low | 130 Ų | 130 | 128.6 Ų | 128.6 | 79% | 0.788 | 65% | 0.65 | S | S | * | * | trans | -69.7 | 80.6 | 164.9 | -178.4 | 0 | 0 | 0 | 0 | 106.2 | S249 | S249-V251 PolarHBondContact O-N 3.17Š| ||
| 252 | K | 36.1 | Very low | 36.2 | Very low | 106 Ų | 106 | 129.9 Ų | 129.9 | 46% | 0.461 | 66% | 0.662 | S | S | . | * | trans | -58.7 | 131.6 | 171.7 | -81.9 | -169.8 | 165.3 | -117.7 | 0 | 107.7 | V250 E256 | V250-K252 HydrophobicContact CG1-CG 3.77Å; V250-K252 PolarHBondContact O-N 3.26Å; K252-E256 HydrophobicContact CD-CB 4.49Å; K252-E256 VanDerWaalsContact CD-OE2 3.28Å; K252-E256 WeakPolarHBondContact CD-OE2 3.41Å; K252-E256 VanDerWaalsContact CE-OE2 3.29Å; K252-E256 WeakPolarHBondContact CE-OE2 3.28Å; K252-E256 WeakPolarHBondContact CG-OE2 3.4Å; K252-E256 IonicContact NZ-OE2 3.73Å; K252-E256 PolarHBondContact NZ-OE2 3.11Å | ||
| 253 | P | 37 | Very low | 35.8 | Very low | 49 Ų | 49 | 131 Ų | 131 | 32% | 0.318 | 67% | 0.672 | S | S | . | * | trans | -58.3 | 146.4 | 170 | 7.6 | -7.7 | 0 | 0 | 0 | 110.1 | Y255 E256 | P253-Y255 HydrophobicContact CB-CD1 3.8Å; P253-Y255 HydrophobicContact CB-CD2 3.85Å; P253-Y255 HydrophobicContact CB-CE1 3.35Å; P253-Y255 HydrophobicContact CB-CE2 3.41Å; P253-Y255 VanDerWaalsContact CB-CE2 3.41Å; P253-Y255 HydrophobicContact CB-CG 4.04Å; P253-Y255 WeakPolarHBondContact CB-OH 3.4Å; P253-Y255 HydrophobicContact CG-CD2 4.1Å; P253-Y255 HydrophobicContact CG-CE1 4.25Å; P253-Y255 HydrophobicContact CG-CE2 3.42Å; P253-Y255 VanDerWaalsContact CG-CE2 3.42Å; P253-Y255 PolarHBondContact O-N 3.41Å; P253-E256 HydrophobicContact CG-CG 4.42Å; P253-E256 PolarHBondContact O-N 2.87Å; P253-E256 VanDerWaalsContact O-N 3.13Å | ||
| 254 | W | 41.4 | Very low | 35.4 | Very low | 135 Ų | 135 | 132.2 Ų | 132.2 | 51% | 0.511 | 68% | 0.675 | S | S | . | * | G | 310 helix | trans | -61.7 | -15.5 | -171.5 | 87.8 | -8.8 | 0 | 0 | 0 | 114.4 | I143 P144 | I143-W254 HydrophobicContact CB-CH2 4.1Å; I143-W254 HydrophobicContact CB-CZ2 3.94Å; I143-W254 HydrophobicContact CD1-CH2 4.19Å; I143-W254 HydrophobicContact CD1-CZ3 4.49Å; I143-W254 HydrophobicContact CG1-CH2 3.68Å; I143-W254 HydrophobicContact CG1-CZ2 4.03Å; I143-W254 HydrophobicContact CG1-CZ3 4.4Å; I143-W254 HydrophobicContact CG2-CH2 3.95Å; I143-W254 HydrophobicContact CG2-CZ2 3.37Å; P144-W254 HydrophobicContact CG-CZ2 4.44Å |
| 255 | Y | 42.6 | Very low | 35.1 | Very low | 132 Ų | 132 | 133.7 Ų | 133.7 | 52% | 0.518 | 68% | 0.682 | S | S | . | * | G | 310 helix | trans | -79.7 | -20.7 | -176.2 | 40.1 | -101.7 | 0 | 0 | 0 | 112.5 | P253 N257 | P253-Y255 HydrophobicContact CB-CD1 3.8Å; P253-Y255 HydrophobicContact CB-CD2 3.85Å; P253-Y255 HydrophobicContact CB-CE1 3.35Å; P253-Y255 HydrophobicContact CB-CE2 3.41Å; P253-Y255 VanDerWaalsContact CB-CE2 3.41Å; P253-Y255 HydrophobicContact CB-CG 4.04Å; P253-Y255 WeakPolarHBondContact CB-OH 3.4Å; P253-Y255 HydrophobicContact CG-CD2 4.1Å; P253-Y255 HydrophobicContact CG-CE1 4.25Å; P253-Y255 HydrophobicContact CG-CE2 3.42Å; P253-Y255 VanDerWaalsContact CG-CE2 3.42Å; P253-Y255 PolarHBondContact O-N 3.41Å; Y255-N257 VanDerWaalsContact C-N 3.26Å; Y255-N257 PolarHBondContact O-N 3.36Å |
| 256 | E | 38.7 | Very low | 34.8 | Very low | 91 Ų | 91 | 133.9 Ų | 133.9 | 43% | 0.425 | 68% | 0.683 | S | S | . | * | G | 310 helix | trans | -73.5 | -11.4 | 177.1 | -72.1 | -159.7 | 148 | 0 | 0 | 114.6 | K252 P253 | K252-E256 HydrophobicContact CD-CB 4.49Å; K252-E256 VanDerWaalsContact CD-OE2 3.28Å; K252-E256 WeakPolarHBondContact CD-OE2 3.41Å; K252-E256 VanDerWaalsContact CE-OE2 3.29Å; K252-E256 WeakPolarHBondContact CE-OE2 3.28Å; K252-E256 WeakPolarHBondContact CG-OE2 3.4Å; K252-E256 IonicContact NZ-OE2 3.73Å; K252-E256 PolarHBondContact NZ-OE2 3.11Å; P253-E256 HydrophobicContact CG-CG 4.42Å; P253-E256 PolarHBondContact O-N 2.87Å; P253-E256 VanDerWaalsContact O-N 3.13Å |
| 257 | N | 39.3 | Very low | 34.6 | Very low | 100 Ų | 100 | 136.2 Ų | 136.2 | 54% | 0.535 | 69% | 0.686 | S | S | . | * | G | 310 helix | trans | -110.3 | 8.5 | -168.5 | -150.8 | 10.5 | 0 | 0 | 0 | 115.3 | Y255 | Y255-N257 VanDerWaalsContact C-N 3.26Å; Y255-N257 PolarHBondContact O-N 3.36Å |
| 258 | K | 38 | Very low | 34.5 | Very low | 136 Ų | 136 | 134 Ų | 134 | 59% | 0.591 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -97.5 | -21.9 | 175.4 | -75.6 | -174.1 | 176.8 | 177.6 | 0 | 114.8 | ||
| 259 | N | 36.2 | Very low | 34.6 | Very low | 158 Ų | 158 | 128.3 Ų | 128.3 | 85% | 0.845 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -102 | 8.1 | 178.6 | -68.8 | -6.9 | 0 | 0 | 0 | 114.4 | ||
| 260 | Q | 33.9 | Very low | 34.9 | Very low | 134 Ų | 134 | 130.2 Ų | 130.2 | 63% | 0.626 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -107.2 | 3.2 | 178.4 | -69.3 | -165.1 | -12 | 0 | 0 | 114.9 | ||
| 261 | I | 33.1 | Very low | 35.2 | Very low | 129 Ų | 129 | 130.6 Ų | 130.6 | 66% | 0.662 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -101.9 | -8.1 | -174.9 | -63.4 | 179.3 | 0 | 0 | 0 | 113 | ||
| 262 | V | 30.6 | Very low | 35.1 | Very low | 131 Ų | 131 | 131.1 Ų | 131.1 | 79% | 0.794 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -122.1 | 58.4 | 179.2 | -165.4 | 0 | 0 | 0 | 0 | 112 | ||
| 263 | M | 29.1 | Very low | 34.9 | Very low | 182 Ų | 182 | 133 Ų | 133 | 90% | 0.897 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -160 | 18.6 | 163.7 | -124.2 | 175.8 | -164.9 | 0 | 0 | 116.1 | ||
| 264 | K | 31.3 | Very low | 34.8 | Very low | 195 Ų | 195 | 136.1 Ų | 136.1 | 85% | 0.848 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -104.8 | 3.8 | -171.5 | -117.3 | -179.2 | -177.9 | -179.7 | 0 | 117.3 | ||
| 265 | N | 31.8 | Very low | 34.2 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 88% | 0.882 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -132.8 | 42.3 | -179.8 | -81.8 | -7.6 | 0 | 0 | 0 | 112.8 | ||
| 266 | I | 29.6 | Very low | 33.8 | Very low | 155 Ų | 155 | 138.2 Ų | 138.2 | 80% | 0.795 | 72% | 0.724 | S | S | * | * | trans | -138.4 | 149.4 | 163.7 | -49 | -179.5 | 0 | 0 | 0 | 107.5 | ||||
| 267 | I | 31.9 | Very low | 33.4 | Very low | 143 Ų | 143 | 142.7 Ų | 142.7 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | trans | 79 | 75.9 | -179.8 | -41.9 | 173.3 | 0 | 0 | 0 | 114 | P269 | I267-P269 HydrophobicContact CG2-CG 4.43Š| ||
| 268 | N | 31.4 | Very low | 33.1 | Very low | 103 Ų | 103 | 145.6 Ų | 145.6 | 55% | 0.551 | 76% | 0.757 | S | S | * | * | trans | -72.4 | 121.4 | 139.5 | -178.2 | 26.1 | 0 | 0 | 0 | 107 | N270 D271 | N268-N270 PolarHBondContact O-N 2.99Å; N268-D271 PolarHBondContact ND2-OD2 3.46Å | ||
| 269 | P | 35.2 | Very low | 32.8 | Very low | 98 Ų | 98 | 146 Ų | 146 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -0.2 | -171.9 | -22 | 34.3 | 0 | 0 | 0 | 116.5 | I267 | I267-P269 HydrophobicContact CG2-CG 4.43Š|
| 270 | N | 40.8 | Very low | 32.5 | Very low | 132 Ų | 132 | 145.1 Ų | 145.1 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | -7.9 | -164.2 | -71.6 | -7.2 | 0 | 0 | 0 | 115.7 | N268 I272 | N268-N270 PolarHBondContact O-N 2.99Å; N270-I272 PolarHBondContact O-N 3.34Å |
| 271 | D | 36.4 | Very low | 32.5 | Very low | 138 Ų | 138 | 147.2 Ų | 147.2 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | trans | -95.5 | 74.9 | 179.7 | -65.6 | -56.5 | 0 | 0 | 0 | 110.9 | N268 | N268-D271 PolarHBondContact ND2-OD2 3.46Š| ||
| 272 | I | 31.9 | Very low | 32.4 | Very low | 141 Ų | 141 | 148.2 Ų | 148.2 | 72% | 0.723 | 78% | 0.777 | S | S | * | * | trans | -81.1 | 146.2 | 165.4 | -64.5 | 172.5 | 0 | 0 | 0 | 108.2 | N270 | N270-I272 PolarHBondContact O-N 3.34Š| ||
| 273 | D | 32.1 | Very low | 32.4 | Very low | 147 Ų | 147 | 149.5 Ų | 149.5 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | trans | 65.4 | 93.9 | 174.8 | -63.4 | -29.4 | 0 | 0 | 0 | 118.5 | ||||
| 274 | S | 35.2 | Very low | 32.5 | Very low | 114 Ų | 114 | 146.8 Ų | 146.8 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | -165.7 | 125.6 | 127.9 | 29 | 0 | 0 | 0 | 0 | 113.5 | I276 | S274-I276 PolarHBondContact O-N 2.83Š| |||
| 275 | N | 29.4 | Very low | 32.7 | Very low | 169 Ų | 169 | 146.4 Ų | 146.4 | 90% | 0.904 | 78% | 0.779 | S | S | * | * | trans | -72.5 | 118.9 | 169.1 | -80.5 | -63.3 | 0 | 0 | 0 | 110.6 | ||||
| 276 | I | 33.6 | Very low | 32.8 | Very low | 141 Ų | 141 | 147 Ų | 147 | 72% | 0.723 | 78% | 0.776 | S | S | * | * | trans | -132.4 | 104.9 | 159.8 | -58.8 | -176.8 | 0 | 0 | 0 | 109.7 | S274 L278 | S274-I276 PolarHBondContact O-N 2.83Å; I276-L278 HydrophobicContact CG2-CD1 4.24Å | ||
| 277 | K | 29.8 | Very low | 33.1 | Very low | 186 Ų | 186 | 147 Ų | 147 | 81% | 0.809 | 78% | 0.777 | S | S | * | * | trans | -71.7 | 135.4 | 157.2 | -85.1 | -175.6 | 169.4 | -169.5 | 0 | 108.7 | ||||
| 278 | L | 33.5 | Very low | 33.4 | Very low | 161 Ų | 161 | 147.9 Ų | 147.9 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | -147.6 | 111.1 | 157.8 | -114.5 | 153.8 | 0 | 0 | 0 | 109.7 | I276 | I276-L278 HydrophobicContact CG2-CD1 4.24Š| ||
| 279 | E | 31.7 | Very low | 33.5 | Very low | 145 Ų | 145 | 146.4 Ų | 146.4 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | trans | -80.8 | 168.7 | 174.9 | -66.8 | 168.7 | 163.3 | 0 | 0 | 110.7 | ||||
| 280 | N | 29.8 | Very low | 33.8 | Very low | 138 Ų | 138 | 147.1 Ų | 147.1 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | trans | 76.6 | 84.9 | 167 | -54.8 | -45 | 0 | 0 | 0 | 118.2 | ||||
| 281 | L | 33.3 | Very low | 33.5 | Very low | 178 Ų | 178 | 148.5 Ų | 148.5 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | trans | -136.1 | 84 | 143.4 | -103.7 | 166 | 0 | 0 | 0 | 109.7 | N283 | L281-N283 PolarHBondContact O-N 3.44Š| ||
| 282 | N | 31.2 | Very low | 33.7 | Very low | 150 Ų | 150 | 144.8 Ų | 144.8 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | trans | -72.3 | 114.1 | 170.7 | -86.2 | -30.6 | 0 | 0 | 0 | 110.3 | ||||
| 283 | N | 32.1 | Very low | 33.7 | Very low | 158 Ų | 158 | 140.3 Ų | 140.3 | 85% | 0.845 | 75% | 0.751 | S | S | * | * | trans | -158.6 | 129.9 | 145.2 | -118.4 | -17.7 | 0 | 0 | 0 | 110.6 | L281 | L281-N283 PolarHBondContact O-N 3.44Š| ||
| 284 | P | 30.3 | Very low | 34.1 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | trans | -88.8 | 116.1 | -170.6 | 33 | -32.7 | 0 | 0 | 0 | 112 | ||||
| 285 | M | 34.7 | Very low | 34.1 | Very low | 188 Ų | 188 | 141.4 Ų | 141.4 | 93% | 0.926 | 74% | 0.741 | S | S | * | * | trans | -131.7 | 119.1 | 156.8 | -139.4 | 175.2 | -176.8 | 0 | 0 | 108.3 | D287 | M285-D287 PolarHBondContact O-N 3.24Š| ||
| 286 | H | 35.2 | Very low | 34.6 | Very low | 177 Ų | 177 | 138.7 Ų | 138.7 | 82% | 0.819 | 72% | 0.723 | S | S | * | * | trans | -67.3 | 100 | -167.5 | -109.9 | -72 | 0 | 0 | 0 | 111.9 | K288 | H286-K288 PolarHBondContact O-N 3.47Š| ||
| 287 | D | 35.3 | Very low | 34.8 | Very low | 154 Ų | 154 | 136.5 Ų | 136.5 | 82% | 0.824 | 71% | 0.706 | S | S | * | * | trans | -76.5 | 107.8 | 161.5 | -164.2 | -0.1 | 0 | 0 | 0 | 108.5 | M285 | M285-D287 PolarHBondContact O-N 3.24Š| ||
| 288 | K | 37.5 | Very low | 35.3 | Very low | 163 Ų | 163 | 131.2 Ų | 131.2 | 71% | 0.709 | 69% | 0.689 | S | S | * | * | trans | -97 | 86.9 | 171.8 | -79.6 | -169 | 176.9 | -175.5 | 0 | 108.3 | H286 I290 | H286-K288 PolarHBondContact O-N 3.47Å; K288-I290 VanDerWaalsContact C-N 3.32Å; K288-I290 PolarHBondContact O-N 2.85Å | ||
| 289 | G | 34.3 | Very low | 36.1 | Very low | 72 Ų | 72 | 126.8 Ų | 126.8 | 74% | 0.742 | 67% | 0.672 | S | S | * | * | trans | -59.8 | 97.6 | 156.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | N291 | G289-N291 PolarHBondContact O-N 2.96Å; G289-N291 VanDerWaalsContact O-N 3.1Å | ||
| 290 | I | 41 | Very low | 37.1 | Very low | 113 Ų | 113 | 122.1 Ų | 122.1 | 58% | 0.579 | 65% | 0.652 | S | S | * | * | trans | -74.9 | 103.8 | 178 | -54.6 | -178.1 | 0 | 0 | 0 | 107.5 | K288 I292 | K288-I290 VanDerWaalsContact C-N 3.32Å; K288-I290 PolarHBondContact O-N 2.85Å; I290-I292 HydrophobicContact CB-CG1 4.29Å; I290-I292 HydrophobicContact CG2-CG1 3.61Å; I290-I292 PolarHBondContact O-N 3.34Å | ||
| 291 | N | 35.7 | Very low | 38.1 | Very low | 160 Ų | 160 | 118.4 Ų | 118.4 | 86% | 0.856 | 64% | 0.64 | S | S | * | * | trans | -74.6 | 81 | 167.5 | -155.7 | 1.1 | 0 | 0 | 0 | 107.5 | G289 S293 | G289-N291 PolarHBondContact O-N 2.96Å; G289-N291 VanDerWaalsContact O-N 3.1Å; N291-S293 PolarHBondContact O-N 2.7Å | ||
| 292 | I | 40.8 | Very low | 39.2 | Very low | 60 Ų | 60 | 115.9 Ų | 115.9 | 31% | 0.308 | 62% | 0.623 | S | S | . | * | trans | -63 | 108.8 | -178.1 | -58.4 | 174.1 | 0 | 0 | 0 | 107.7 | I290 E296 Y297 | I290-I292 HydrophobicContact CB-CG1 4.29Å; I290-I292 HydrophobicContact CG2-CG1 3.61Å; I290-I292 PolarHBondContact O-N 3.34Å; I292-E296 HydrophobicContact CG2-CB 4.29Å; I292-Y297 HydrophobicContact CG2-CD2 4.14Å; I292-Y297 HydrophobicContact CG2-CE2 3.86Å | ||
| 293 | S | 30.8 | Very low | 40.6 | Very low | 48 Ų | 48 | 111.1 Ų | 111.1 | 34% | 0.336 | 59% | 0.594 | S | S | . | * | trans | -69.9 | 146.6 | 177.1 | 84.7 | 0 | 0 | 0 | 0 | 109.8 | N291 Y295 E296 | N291-S293 PolarHBondContact O-N 2.7Å; S293-Y295 PolarHBondContact O-N 3.24Å; S293-E296 PolarHBondContact O-N 3.13Å; S293-E296 VanDerWaalsContact O-N 3.07Å | ||
| 294 | P | 40.5 | Very low | 41.7 | Very low | 100 Ų | 100 | 104.1 Ų | 104.1 | 65% | 0.649 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -53.9 | -20.7 | 177.9 | -28.1 | 35.7 | 0 | 0 | 0 | 114.6 | E296 Y297 | P294-E296 VanDerWaalsContact C-N 3.34Å; P294-E296 PolarHBondContact O-N 2.82Å; P294-Y297 PolarHBondContact O-N 2.98Å |
| 295 | Y | 36.2 | Very low | 43.3 | Very low | 184 Ų | 184 | 105.6 Ų | 105.6 | 72% | 0.722 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -69.8 | -22.7 | 179.9 | -56.4 | -72.9 | 0 | 0 | 0 | 114.3 | S293 T298 S299 | S293-Y295 PolarHBondContact O-N 3.24Å; Y295-T298 WeakPolarHBondContact CA-OG1 3.17Å; Y295-T298 PolarHBondContact O-OG1 3.22Å; Y295-S299 PolarHBondContact O-N 3.44Å |
| 296 | E | 39.3 | Very low | 44.6 | Very low | 112 Ų | 112 | 102.5 Ų | 102.5 | 52% | 0.523 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -74.2 | -32.5 | 175.6 | -72.6 | -170 | 134.9 | 0 | 0 | 112.4 | I292 S293 P294 S299 N300 | I292-E296 HydrophobicContact CG2-CB 4.29Å; S293-E296 PolarHBondContact O-N 3.13Å; S293-E296 VanDerWaalsContact O-N 3.07Å; P294-E296 VanDerWaalsContact C-N 3.34Å; P294-E296 PolarHBondContact O-N 2.82Å; E296-S299 WeakPolarHBondContact O-CB 3.32Å; E296-S299 PolarHBondContact O-N 3.06Å; E296-N300 PolarHBondContact O-N 3.28Å |
| 297 | Y | 37.8 | Very low | 45.9 | Very low | 94 Ų | 94 | 96 Ų | 96 | 37% | 0.369 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 175 | -84.7 | -90 | 0 | 0 | 0 | 112.2 | D146 I292 P294 S299 N300 A301 | D146-Y297 WeakPolarHBondContact OD2-CE1 3.2Å; I292-Y297 HydrophobicContact CG2-CD2 4.14Å; I292-Y297 HydrophobicContact CG2-CE2 3.86Å; P294-Y297 PolarHBondContact O-N 2.98Å; Y297-S299 VanDerWaalsContact C-N 3.27Å; Y297-S299 PolarHBondContact O-N 3.33Å; Y297-N300 PolarHBondContact O-N 3.44Å; Y297-A301 PolarHBondContact O-N 3.26Å; Y297-A301 VanDerWaalsContact O-N 3.12Å |
| 298 | T | 40.1 | Very low | 47 | Very low | 75 Ų | 75 | 91.4 Ų | 91.4 | 46% | 0.46 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.7 | -36.1 | 174 | 36.4 | 0 | 0 | 0 | 0 | 112.5 | Y295 Q302 | Y295-T298 WeakPolarHBondContact CA-OG1 3.17Å; Y295-T298 PolarHBondContact O-OG1 3.22Å; T298-Q302 VanDerWaalsContact O-CB 3.29Å; T298-Q302 WeakPolarHBondContact O-CB 3.4Å; T298-Q302 VanDerWaalsContact O-CG 3.27Å; T298-Q302 WeakPolarHBondContact O-CG 3.49Å; T298-Q302 PolarHBondContact O-N 2.86Å |
| 299 | S | 51.1 | Low | 48.2 | Very low | 68 Ų | 68 | 87.1 Ų | 87.1 | 48% | 0.476 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.5 | -47.4 | 176.4 | 174.3 | 0 | 0 | 0 | 0 | 112.1 | Y295 E296 Y297 Q302 Y303 | Y295-S299 PolarHBondContact O-N 3.44Å; E296-S299 WeakPolarHBondContact O-CB 3.32Å; E296-S299 PolarHBondContact O-N 3.06Å; Y297-S299 VanDerWaalsContact C-N 3.27Å; Y297-S299 PolarHBondContact O-N 3.33Å; S299-Q302 PolarHBondContact O-N 2.91Å; S299-Y303 VanDerWaalsContact O-CB 3.22Å; S299-Y303 WeakPolarHBondContact O-CB 3.35Å; S299-Y303 PolarHBondContact O-N 3.02Å |
| 300 | N | 51.9 | Low | 49.4 | Very low | 48 Ų | 48 | 88 Ų | 88 | 26% | 0.257 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.8 | -44 | -180 | -77 | -20.3 | 0 | 0 | 0 | 112.2 | E296 Y297 Y303 L304 | E296-N300 PolarHBondContact O-N 3.28Å; Y297-N300 PolarHBondContact O-N 3.44Å; N300-Y303 PolarHBondContact O-N 3.15Å; N300-L304 WeakPolarHBondContact O-CB 3.48Å; N300-L304 WeakPolarHBondContact O-CD1 3.42Å; N300-L304 WeakPolarHBondContact O-CG 3.38Å; N300-L304 PolarHBondContact O-N 2.87Å |
| 301 | A | 51.3 | Low | 50 | Low | 59 Ų | 59 | 86.7 Ų | 86.7 | 49% | 0.488 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y297 K305 | Y297-A301 PolarHBondContact O-N 3.26Å; Y297-A301 VanDerWaalsContact O-N 3.12Å; A301-K305 WeakPolarHBondContact O-CB 3.23Å; A301-K305 PolarHBondContact O-N 3.31Å |
| 302 | Q | 57 | Low | 50.9 | Low | 126 Ų | 126 | 83.5 Ų | 83.5 | 59% | 0.589 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -66 | -46 | 174.1 | -75.6 | 177.5 | -29 | 0 | 0 | 111.9 | T298 S299 L304 K305 E306 | T298-Q302 VanDerWaalsContact O-CB 3.29Å; T298-Q302 WeakPolarHBondContact O-CB 3.4Å; T298-Q302 VanDerWaalsContact O-CG 3.27Å; T298-Q302 WeakPolarHBondContact O-CG 3.49Å; T298-Q302 PolarHBondContact O-N 2.86Å; S299-Q302 PolarHBondContact O-N 2.91Å; Q302-L304 VanDerWaalsContact C-N 3.31Å; Q302-L304 PolarHBondContact O-N 3.4Å; Q302-K305 WeakPolarHBondContact O-CB 3.49Å; Q302-K305 PolarHBondContact O-N 3.14Å; Q302-K305 VanDerWaalsContact O-N 3.14Å; Q302-E306 WeakPolarHBondContact O-CG 3.46Å; Q302-E306 PolarHBondContact O-N 3.43Å |
| 303 | Y | 59.4 | Low | 51.5 | Low | 50 Ų | 50 | 85.4 Ų | 85.4 | 20% | 0.196 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -58 | -43 | 176.7 | 172.4 | -107.7 | 0 | 0 | 0 | 112.2 | K136 S299 N300 K307 | K136-Y303 HydrophobicContact CB-CD1 4.02Å; K136-Y303 HydrophobicContact CB-CE1 3.74Å; K136-Y303 HydrophobicContact CD-CD2 3.96Å; K136-Y303 HydrophobicContact CD-CE1 4.4Å; K136-Y303 HydrophobicContact CD-CE2 3.81Å; K136-Y303 HydrophobicContact CD-CG 4.3Å; K136-Y303 HydrophobicContact CG-CE1 4.42Å; K136-Y303 HydrophobicContact CG-CE2 4.5Å; S299-Y303 VanDerWaalsContact O-CB 3.22Å; S299-Y303 WeakPolarHBondContact O-CB 3.35Å; S299-Y303 PolarHBondContact O-N 3.02Å; N300-Y303 PolarHBondContact O-N 3.15Å; Y303-K307 HydrophobicContact CE1-CD 4.13Å; Y303-K307 WeakPolarHBondContact O-CB 3.43Å; Y303-K307 PolarHBondContact O-N 2.98Å |
| 304 | L | 55.7 | Low | 52.5 | Low | 11 Ų | 11 | 87.9 Ų | 87.9 | 6% | 0.058 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -63.8 | -46.4 | 175 | -76.3 | 158.8 | 0 | 0 | 0 | 110.9 | L134 I152 N300 Q302 E306 K307 F308 | L134-L304 HydrophobicContact CB-CD2 4.42Å; L134-L304 HydrophobicContact CD2-CD2 4.03Å; L134-L304 WeakPolarHBondContact O-CD2 3.26Å; I152-L304 HydrophobicContact CD1-CD1 4.29Å; I152-L304 HydrophobicContact CG2-CD1 4.16Å; I152-L304 HydrophobicContact CG2-CD2 4.33Å; N300-L304 WeakPolarHBondContact O-CB 3.48Å; N300-L304 WeakPolarHBondContact O-CD1 3.42Å; N300-L304 WeakPolarHBondContact O-CG 3.38Å; N300-L304 PolarHBondContact O-N 2.87Å; Q302-L304 VanDerWaalsContact C-N 3.31Å; Q302-L304 PolarHBondContact O-N 3.4Å; L304-E306 PolarHBondContact O-N 3.04Å; L304-K307 PolarHBondContact O-N 3.48Å; L304-F308 WeakPolarHBondContact O-CD2 3.23Å; L304-F308 PolarHBondContact O-N 3.1Å |
| 305 | K | 63.9 | Low | 53 | Low | 155 Ų | 155 | 89.5 Ų | 89.5 | 67% | 0.674 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -57.9 | -48.3 | 176.2 | -174.7 | 178.6 | 179.5 | 179.5 | 0 | 112.4 | A301 Q302 K307 F308 T309 | A301-K305 WeakPolarHBondContact O-CB 3.23Å; A301-K305 PolarHBondContact O-N 3.31Å; Q302-K305 WeakPolarHBondContact O-CB 3.49Å; Q302-K305 PolarHBondContact O-N 3.14Å; Q302-K305 VanDerWaalsContact O-N 3.14Å; K305-K307 VanDerWaalsContact C-N 3.34Å; K305-K307 PolarHBondContact O-N 2.88Å; K305-F308 PolarHBondContact O-N 2.95Å; K305-T309 PolarHBondContact O-N 2.97Å; K305-T309 PolarHBondContact O-OG1 3.36Å |
| 306 | E | 62.7 | Low | 53.6 | Low | 124 Ų | 124 | 82.9 Ų | 82.9 | 58% | 0.579 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -59.4 | -45.3 | 175.4 | -73.5 | -178.1 | 167.6 | 0 | 0 | 111.5 | Q302 L304 T309 N310 | Q302-E306 WeakPolarHBondContact O-CG 3.46Å; Q302-E306 PolarHBondContact O-N 3.43Å; L304-E306 PolarHBondContact O-N 3.04Å; E306-T309 PolarHBondContact O-N 3.39Å; E306-N310 WeakPolarHBondContact O-CB 3.29Å; E306-N310 PolarHBondContact O-N 3.32Å; E306-N310 PolarHBondContact O-ND2 3.04Å |
| 307 | K | 62.4 | Low | 53.9 | Low | 41 Ų | 41 | 80.6 Ų | 80.6 | 18% | 0.178 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -66.2 | -39.4 | -178.9 | -175.5 | 168.2 | 174.8 | 173.2 | 0 | 112.7 | Y132 Q133 Y303 L304 K305 N310 L311 | Y132-K307 WeakPolarHBondContact O-CE 3.5Å; Y132-K307 PolarHBondContact O-NZ 2.96Å; Q133-K307 PolarHBondContact O-NZ 3.34Å; Y303-K307 HydrophobicContact CE1-CD 4.13Å; Y303-K307 WeakPolarHBondContact O-CB 3.43Å; Y303-K307 PolarHBondContact O-N 2.98Å; L304-K307 PolarHBondContact O-N 3.48Å; K305-K307 VanDerWaalsContact C-N 3.34Å; K305-K307 PolarHBondContact O-N 2.88Å; K307-N310 PolarHBondContact O-N 3.48Å; K307-L311 HydrophobicContact CG-CD1 4.25Å; K307-L311 WeakPolarHBondContact O-CG 3.45Å; K307-L311 PolarHBondContact O-N 2.86Å |
| 308 | F | 58.9 | Low | 54.2 | Low | 56 Ų | 56 | 82.2 Ų | 82.2 | 25% | 0.246 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -62.1 | -48.5 | 170.7 | -82.2 | -65.1 | 0 | 0 | 0 | 111.7 | I152 F155 V156 L304 K305 N310 L311 T312 | I152-F308 HydrophobicContact CG2-CE2 4.38Å; F155-F308 HydrophobicContact CD1-CE1 4.26Å; F155-F308 HydrophobicContact CD1-CZ 4.02Å; F155-F308 HydrophobicContact CE1-CE1 4.35Å; F155-F308 HydrophobicContact CE1-CZ 4.46Å; V156-F308 HydrophobicContact CB-CZ 4.45Å; V156-F308 HydrophobicContact CG2-CE1 3.97Å; V156-F308 HydrophobicContact CG2-CE2 4.31Å; V156-F308 HydrophobicContact CG2-CZ 3.39Å; L304-F308 WeakPolarHBondContact O-CD2 3.23Å; L304-F308 PolarHBondContact O-N 3.1Å; K305-F308 PolarHBondContact O-N 2.95Å; F308-N310 PolarHBondContact O-N 3.11Å; F308-L311 PolarHBondContact O-N 2.95Å; F308-T312 PolarHBondContact O-N 2.85Å; F308-T312 PolarHBondContact O-OG1 3.2Å; F308-T312 VanDerWaalsContact O-OG1 3.13Å |
| 309 | T | 61.8 | Low | 54.5 | Low | 74 Ų | 74 | 84 Ų | 84 | 45% | 0.454 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -54.9 | -43 | 177.5 | -45.4 | 0 | 0 | 0 | 0 | 110.8 | K305 E306 L313 | K305-T309 PolarHBondContact O-N 2.97Å; K305-T309 PolarHBondContact O-OG1 3.36Å; E306-T309 PolarHBondContact O-N 3.39Å; T309-L313 HydrophobicContact CG2-CD1 4.12Å; T309-L313 WeakPolarHBondContact O-CB 3.36Å; T309-L313 WeakPolarHBondContact O-CD1 3.35Å; T309-L313 VanDerWaalsContact O-CG 3.24Å; T309-L313 WeakPolarHBondContact O-CG 3.18Å; T309-L313 PolarHBondContact O-N 3.29Å |
| 310 | N | 60.4 | Low | 54.1 | Low | 90 Ų | 90 | 86 Ų | 86 | 48% | 0.481 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -69.7 | -33.4 | 176.1 | -71.7 | -43.2 | 0 | 0 | 0 | 114 | E306 K307 F308 N314 | E306-N310 WeakPolarHBondContact O-CB 3.29Å; E306-N310 PolarHBondContact O-N 3.32Å; E306-N310 PolarHBondContact O-ND2 3.04Å; K307-N310 PolarHBondContact O-N 3.48Å; F308-N310 PolarHBondContact O-N 3.11Å; N310-N314 WeakPolarHBondContact O-CB 3.46Å; N310-N314 PolarHBondContact O-N 3.44Å; N310-N314 VanDerWaalsContact O-N 3.14Å; N310-N314 PolarHBondContact O-ND2 2.93Å |
| 311 | L | 53.3 | Low | 53.6 | Low | 86 Ų | 86 | 90.6 Ų | 90.6 | 45% | 0.45 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.6 | -49 | 174.4 | -77.5 | 163.2 | 0 | 0 | 0 | 110.6 | K307 F308 L313 N314 E315 | K307-L311 HydrophobicContact CG-CD1 4.25Å; K307-L311 WeakPolarHBondContact O-CG 3.45Å; K307-L311 PolarHBondContact O-N 2.86Å; F308-L311 PolarHBondContact O-N 2.95Å; L311-L313 PolarHBondContact O-N 3.45Å; L311-N314 PolarHBondContact O-N 3.06Å; L311-E315 PolarHBondContact O-N 3.23Å |
| 312 | T | 54.4 | Low | 53.1 | Low | 93 Ų | 93 | 95.8 Ų | 95.8 | 57% | 0.571 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.3 | -41 | 178.2 | -50.2 | 0 | 0 | 0 | 0 | 112 | F308 E315 S316 | F308-T312 PolarHBondContact O-N 2.85Å; F308-T312 PolarHBondContact O-OG1 3.2Å; F308-T312 VanDerWaalsContact O-OG1 3.13Å; T312-E315 PolarHBondContact O-N 3.41Å; T312-S316 WeakPolarHBondContact O-CB 3.35Å; T312-S316 PolarHBondContact O-N 3.36Å; T312-S316 PolarHBondContact O-OG 3.38Å; T312-S316 VanDerWaalsContact O-OG 3.04Å |
| 313 | L | 52.9 | Low | 52.3 | Low | 99 Ų | 99 | 97.4 Ų | 97.4 | 52% | 0.518 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 174.7 | -76.9 | 167.6 | 0 | 0 | 0 | 112.4 | T309 L311 S316 S317 | T309-L313 HydrophobicContact CG2-CD1 4.12Å; T309-L313 WeakPolarHBondContact O-CB 3.36Å; T309-L313 WeakPolarHBondContact O-CD1 3.35Å; T309-L313 VanDerWaalsContact O-CG 3.24Å; T309-L313 WeakPolarHBondContact O-CG 3.18Å; T309-L313 PolarHBondContact O-N 3.29Å; L311-L313 PolarHBondContact O-N 3.45Å; L313-S316 WeakPolarHBondContact CA-OG 3.31Å; L313-S316 PolarHBondContact O-OG 3.05Å; L313-S317 WeakPolarHBondContact O-CB 3.33Å; L313-S317 PolarHBondContact O-N 2.97Å; L313-S317 PolarHBondContact O-OG 2.91Å |
| 314 | N | 51.1 | Low | 51.1 | Low | 101 Ų | 101 | 103.8 Ų | 103.8 | 54% | 0.54 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.7 | -33.1 | 178.6 | -76.1 | -50.8 | 0 | 0 | 0 | 113.6 | N310 L311 S317 L318 | N310-N314 WeakPolarHBondContact O-CB 3.46Å; N310-N314 PolarHBondContact O-N 3.44Å; N310-N314 VanDerWaalsContact O-N 3.14Å; N310-N314 PolarHBondContact O-ND2 2.93Å; L311-N314 PolarHBondContact O-N 3.06Å; N314-S317 PolarHBondContact O-OG 3.22Å; N314-S317 VanDerWaalsContact O-OG 3.08Å; N314-L318 PolarHBondContact O-N 2.93Å |
| 315 | E | 50.8 | Low | 50 | Low | 134 Ų | 134 | 106.9 Ų | 106.9 | 63% | 0.626 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -77.2 | -36.2 | 175.5 | -69.1 | -171.7 | 153 | 0 | 0 | 112.1 | L311 T312 L318 N319 | L311-E315 PolarHBondContact O-N 3.23Å; T312-E315 PolarHBondContact O-N 3.41Å; E315-L318 PolarHBondContact O-N 3.34Å; E315-N319 PolarHBondContact O-N 3.11Å |
| 316 | S | 48.8 | Very low | 48.6 | Very low | 44 Ų | 44 | 106.1 Ų | 106.1 | 31% | 0.308 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66 | -35.8 | 173.1 | 67.1 | 0 | 0 | 0 | 0 | 113.1 | T312 L313 L318 N319 N320 | T312-S316 WeakPolarHBondContact O-CB 3.35Å; T312-S316 PolarHBondContact O-N 3.36Å; T312-S316 PolarHBondContact O-OG 3.38Å; T312-S316 VanDerWaalsContact O-OG 3.04Å; L313-S316 WeakPolarHBondContact CA-OG 3.31Å; L313-S316 PolarHBondContact O-OG 3.05Å; S316-L318 VanDerWaalsContact C-N 3.28Å; S316-L318 PolarHBondContact O-N 3.02Å; S316-N319 PolarHBondContact O-N 3.47Å; S316-N320 VanDerWaalsContact O-CB 3.24Å; S316-N320 WeakPolarHBondContact O-CB 3.43Å; S316-N320 PolarHBondContact O-N 3.27Å; S316-N320 PolarHBondContact O-ND2 3.34Å |
| 317 | S | 46.6 | Very low | 47.2 | Very low | 65 Ų | 65 | 106.9 Ų | 106.9 | 46% | 0.455 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -72.7 | -19.3 | 175.9 | 66.9 | 0 | 0 | 0 | 0 | 113.9 | L313 N314 | L313-S317 WeakPolarHBondContact O-CB 3.33Å; L313-S317 PolarHBondContact O-N 2.97Å; L313-S317 PolarHBondContact O-OG 2.91Å; N314-S317 PolarHBondContact O-OG 3.22Å; N314-S317 VanDerWaalsContact O-OG 3.08Å |
| 318 | L | 45 | Very low | 45.8 | Very low | 128 Ų | 128 | 110.4 Ų | 110.4 | 67% | 0.67 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -84.1 | -38.4 | 172.1 | -95.8 | 153.3 | 0 | 0 | 0 | 112.6 | N314 E315 S316 | N314-L318 PolarHBondContact O-N 2.93Å; E315-L318 PolarHBondContact O-N 3.34Å; S316-L318 VanDerWaalsContact C-N 3.28Å; S316-L318 PolarHBondContact O-N 3.02Å |
| 319 | N | 45.7 | Very low | 44.8 | Very low | 111 Ų | 111 | 114 Ų | 114 | 59% | 0.594 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -81.4 | -28.3 | -180 | -71.7 | -10.7 | 0 | 0 | 0 | 113.8 | E315 S316 N321 E322 | E315-N319 PolarHBondContact O-N 3.11Å; S316-N319 PolarHBondContact O-N 3.47Å; N319-N321 PolarHBondContact O-N 3.01Å; N319-E322 PolarHBondContact O-N 3.06Å |
| 320 | N | 42.4 | Very low | 43.6 | Very low | 112 Ų | 112 | 117.7 Ų | 117.7 | 60% | 0.599 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -5.3 | -175.4 | -71.8 | -10.5 | 0 | 0 | 0 | 114.8 | S316 | S316-N320 VanDerWaalsContact O-CB 3.24Å; S316-N320 WeakPolarHBondContact O-CB 3.43Å; S316-N320 PolarHBondContact O-N 3.27Å; S316-N320 PolarHBondContact O-ND2 3.34Å |
| 321 | N | 41.7 | Very low | 42.3 | Very low | 144 Ų | 144 | 123.6 Ų | 123.6 | 77% | 0.77 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -3.4 | 175.3 | -76.8 | -28.1 | 0 | 0 | 0 | 114.1 | N319 | N319-N321 PolarHBondContact O-N 3.01Š|
| 322 | E | 40.7 | Very low | 41.8 | Very low | 168 Ų | 168 | 126.7 Ų | 126.7 | 79% | 0.785 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -106.1 | 5.4 | 177.9 | -78.5 | -168.7 | 136.6 | 0 | 0 | 114.2 | N319 | N319-E322 PolarHBondContact O-N 3.06Š|
| 323 | L | 39.2 | Very low | 41 | Very low | 160 Ų | 160 | 129.5 Ų | 129.5 | 84% | 0.838 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -128.9 | 25.2 | -176.4 | -108.8 | 99.5 | 0 | 0 | 0 | 116.4 | ||
| 324 | Q | 35.6 | Very low | 40.3 | Very low | 183 Ų | 183 | 130.1 Ų | 130.1 | 86% | 0.855 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -123.5 | 118.9 | 164.8 | -66.2 | -170.6 | 8.8 | 0 | 0 | 110.4 | ||
| 325 | G | 33 | Very low | 39.7 | Very low | 77 Ų | 77 | 133 Ų | 133 | 79% | 0.794 | 73% | 0.727 | S | S | * | * | trans | 137.8 | 19.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 326 | T | 32.6 | Very low | 39.1 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 85% | 0.847 | 74% | 0.739 | S | S | * | * | trans | -137 | 82.8 | 176 | 45.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 327 | T | 33.3 | Very low | 38.7 | Very low | 141 Ų | 141 | 140.8 Ų | 140.8 | 87% | 0.865 | 76% | 0.761 | S | S | * | * | trans | -151.3 | 150.9 | 155.3 | 17.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 328 | P | 34.6 | Very low | 38.5 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | -132.4 | 141.9 | -125.3 | 36.9 | -20.3 | 0 | 0 | 0 | 115.9 | |||||
| 329 | T | 37.9 | Very low | 38.3 | Very low | 131 Ų | 131 | 140.3 Ų | 140.3 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -149.7 | 121.7 | 166.4 | 45.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 330 | N | 36.9 | Very low | 38.2 | Very low | 152 Ų | 152 | 142.1 Ų | 142.1 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | 43.8 | 100.1 | 142.9 | -58.7 | -17.1 | 0 | 0 | 0 | 119.7 | ||||
| 331 | F | 33.2 | Very low | 38.3 | Very low | 213 Ų | 213 | 146.4 Ų | 146.4 | 93% | 0.934 | 79% | 0.788 | S | S | * | * | trans | -76.3 | 126.1 | 151.3 | -91.3 | -92.5 | 0 | 0 | 0 | 110.3 | ||||
| 332 | H | 41.4 | Very low | 38.4 | Very low | 152 Ų | 152 | 146.4 Ų | 146.4 | 70% | 0.704 | 79% | 0.788 | S | S | * | * | trans | -141.4 | 128.8 | 167 | -128.3 | -69.1 | 0 | 0 | 0 | 108.8 | ||||
| 333 | H | 38.8 | Very low | 38.9 | Very low | 152 Ų | 152 | 146 Ų | 146 | 70% | 0.704 | 79% | 0.791 | S | S | * | * | trans | 63.8 | 145.8 | 174.6 | -57.1 | -73.8 | 0 | 0 | 0 | 116 | ||||
| 334 | T | 36.8 | Very low | 39.7 | Very low | 112 Ų | 112 | 143.8 Ų | 143.8 | 69% | 0.687 | 79% | 0.789 | S | S | * | * | cis | -159.6 | 129.8 | -10 | 9.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 335 | N | 38.6 | Very low | 40.6 | Very low | 161 Ų | 161 | 138.4 Ų | 138.4 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | -104 | 107.2 | 160.8 | -87.7 | -13.1 | 0 | 0 | 0 | 108.4 | ||||
| 336 | Q | 39.1 | Very low | 41.4 | Very low | 189 Ų | 189 | 147.6 Ų | 147.6 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -87 | 120.5 | 161.8 | -80.7 | -176.9 | -28.5 | 0 | 0 | 108.5 | ||||
| 337 | I | 40.9 | Very low | 41.9 | Very low | 153 Ų | 153 | 148.1 Ų | 148.1 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -134.8 | 129.7 | 167.3 | -73.8 | -178.8 | 0 | 0 | 0 | 108.4 | ||||
| 338 | S | 40.8 | Very low | 42.3 | Very low | 99 Ų | 99 | 148.4 Ų | 148.4 | 69% | 0.692 | 80% | 0.8 | S | S | * | * | trans | 76.1 | 116.2 | 158.9 | -148.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 339 | S | 41.9 | Very low | 42.7 | Very low | 84 Ų | 84 | 150.3 Ų | 150.3 | 59% | 0.587 | 80% | 0.802 | S | S | * | * | 64.1 | 105.1 | 126.6 | 70 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 340 | D | 43.7 | Very low | 43 | Very low | 149 Ų | 149 | 151.4 Ų | 151.4 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | 77.3 | 127.5 | 110.3 | -68.1 | -11.1 | 0 | 0 | 0 | 122.6 | |||||
| 341 | Y | 44.7 | Very low | 43.4 | Very low | 202 Ų | 202 | 151.4 Ų | 151.4 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | trans | 93.7 | 124.3 | 146.8 | -94.9 | -112.1 | 0 | 0 | 0 | 120.9 | ||||
| 342 | N | 43.2 | Very low | 44.1 | Very low | 144 Ų | 144 | 147.3 Ų | 147.3 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | 66.1 | 102.6 | 159.3 | -59.3 | -15.2 | 0 | 0 | 0 | 118.7 | ||||
| 343 | D | 52.2 | Low | 44.3 | Very low | 158 Ų | 158 | 146.9 Ų | 146.9 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | -153.8 | 140.3 | 102 | -153.7 | -7.7 | 0 | 0 | 0 | 111.6 | |||||
| 344 | S | 55.7 | Low | 44.7 | Very low | 114 Ų | 114 | 146.5 Ų | 146.5 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | -157.9 | 81.9 | 164 | 66.3 | 0 | 0 | 0 | 0 | 108.7 | E346 | S344-E346 PolarHBondContact O-N 2.86Š| ||
| 345 | G | 54.2 | Low | 45.4 | Very low | 71 Ų | 71 | 149.4 Ų | 149.4 | 73% | 0.732 | 82% | 0.817 | S | S | * | * | trans | -80.8 | 94.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 346 | E | 49.7 | Very low | 46 | Very low | 269 Ų | 269 | 148.4 Ų | 148.4 | 100% | 1.257 | 81% | 0.813 | S | S | * | * | trans | -166.9 | 0 | 135.6 | -106.9 | -174.4 | 172.2 | 0 | 0 | 110.5 | S344 | S344-E346 PolarHBondContact O-N 2.86Š|
Retrieved 346 of 346 residues in 144.3 ms
(Link to these results)