| 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 | 51.8 | Low | 48.4 | Very low | 175 Ų | 175 | 129.8 Ų | 129.8 | 86% | 0.862 | 65% | 0.646 | S | S | * | * | 0 | -60.7 | 0 | -111.5 | 178.5 | 80.2 | 0 | 0 | 114.5 | E4 K5 | M1-E4 VanDerWaalsContact CA-OE2 3.29Å; M1-E4 WeakPolarHBondContact CA-OE2 3.26Å; M1-E4 PolarHBondContact N-OE2 2.87Å; M1-K5 WeakPolarHBondContact O-CB 3.34Å; M1-K5 PolarHBondContact O-N 3.01Å; M1-K5 VanDerWaalsContact O-N 3.1Å | |||
| 2 | E | 52.3 | Low | 48.3 | Very low | 174 Ų | 174 | 130.3 Ų | 130.3 | 81% | 0.813 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -72 | -39 | -178.2 | -121.2 | -178.9 | 173.4 | 0 | 0 | 113.4 | R6 | E2-R6 WeakPolarHBondContact O-CB 3.4Å; E2-R6 PolarHBondContact O-N 3.26Å; E2-R6 VanDerWaalsContact O-N 3.11Å |
| 3 | T | 48.3 | Very low | 48.3 | Very low | 112 Ų | 112 | 129.2 Ų | 129.2 | 69% | 0.687 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -64.5 | -45 | 174.7 | 2.7 | 0 | 0 | 0 | 0 | 111.6 | R6 T7 | T3-R6 PolarHBondContact O-N 3.38Å; T3-T7 PolarHBondContact O-N 3.07Å; T3-T7 PolarHBondContact O-OG1 3.01Å |
| 4 | E | 48 | Very low | 48.6 | Very low | 125 Ų | 125 | 124.3 Ų | 124.3 | 58% | 0.584 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.1 | -42.9 | 177.3 | -69.4 | 155.6 | 146.9 | 0 | 0 | 111.9 | M1 R6 T7 Q8 | M1-E4 VanDerWaalsContact CA-OE2 3.29Å; M1-E4 WeakPolarHBondContact CA-OE2 3.26Å; M1-E4 PolarHBondContact N-OE2 2.87Å; E4-R6 VanDerWaalsContact C-N 3.26Å; E4-R6 PolarHBondContact O-N 2.91Å; E4-T7 PolarHBondContact O-N 2.87Å; E4-Q8 VanDerWaalsContact O-CB 3.23Å; E4-Q8 WeakPolarHBondContact O-CB 3.45Å; E4-Q8 PolarHBondContact O-N 3.47Å |
| 5 | K | 43.5 | Very low | 49.2 | Very low | 151 Ų | 151 | 122.3 Ų | 122.3 | 66% | 0.657 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -60.3 | -34.7 | 173.8 | -103.9 | -178.2 | 174.6 | 179.8 | 0 | 112.9 | M1 K9 | M1-K5 WeakPolarHBondContact O-CB 3.34Å; M1-K5 PolarHBondContact O-N 3.01Å; M1-K5 VanDerWaalsContact O-N 3.1Å; K5-K9 VanDerWaalsContact O-CB 3.24Å; K5-K9 WeakPolarHBondContact O-CB 3.13Å; K5-K9 PolarHBondContact O-N 3.3Å |
| 6 | R | 47.5 | Very low | 50 | Low | 209 Ų | 209 | 121.9 Ų | 121.9 | 79% | 0.789 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -74.1 | -41 | 179.2 | -146 | 174.6 | -172 | 177.4 | 2 | 111.4 | E2 T3 E4 S10 | E2-R6 WeakPolarHBondContact O-CB 3.4Å; E2-R6 PolarHBondContact O-N 3.26Å; E2-R6 VanDerWaalsContact O-N 3.11Å; T3-R6 PolarHBondContact O-N 3.38Å; E4-R6 VanDerWaalsContact C-N 3.26Å; E4-R6 PolarHBondContact O-N 2.91Å; R6-S10 VanDerWaalsContact O-CB 3.3Å; R6-S10 WeakPolarHBondContact O-CB 3.26Å; R6-S10 PolarHBondContact O-N 3.26Å |
| 7 | T | 48.8 | Very low | 51.7 | Low | 97 Ų | 97 | 124 Ų | 124 | 60% | 0.595 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -65.9 | -40.1 | 175 | -47 | 0 | 0 | 0 | 0 | 111.4 | T3 E4 S10 A11 | T3-T7 PolarHBondContact O-N 3.07Å; T3-T7 PolarHBondContact O-OG1 3.01Å; E4-T7 PolarHBondContact O-N 2.87Å; T7-S10 PolarHBondContact O-N 3.32Å; T7-A11 WeakPolarHBondContact O-CB 3.44Å; T7-A11 PolarHBondContact O-N 3.35Å |
| 8 | Q | 45.3 | Very low | 54.1 | Low | 127 Ų | 127 | 121.4 Ų | 121.4 | 59% | 0.593 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -72.8 | -39.8 | -178.5 | -154.8 | 157.2 | 8 | 0 | 0 | 112.2 | E4 A11 E12 | E4-Q8 VanDerWaalsContact O-CB 3.23Å; E4-Q8 WeakPolarHBondContact O-CB 3.45Å; E4-Q8 PolarHBondContact O-N 3.47Å; Q8-A11 PolarHBondContact O-N 3.06Å; Q8-E12 PolarHBondContact O-N 2.56Å |
| 9 | K | 42 | Very low | 56.4 | Low | 134 Ų | 134 | 115.2 Ų | 115.2 | 58% | 0.583 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.8 | -35.2 | 172.1 | -167.9 | 176 | -176.5 | 179.7 | 0 | 112.7 | K5 Q13 | K5-K9 VanDerWaalsContact O-CB 3.24Å; K5-K9 WeakPolarHBondContact O-CB 3.13Å; K5-K9 PolarHBondContact O-N 3.3Å; K9-Q13 VanDerWaalsContact O-CB 3.32Å; K9-Q13 WeakPolarHBondContact O-CB 3.29Å; K9-Q13 VanDerWaalsContact O-CG 3.29Å; K9-Q13 WeakPolarHBondContact O-CG 3.45Å; K9-Q13 PolarHBondContact O-N 2.87Å |
| 10 | S | 52.8 | Low | 58.3 | Low | 68 Ų | 68 | 109.8 Ų | 109.8 | 48% | 0.476 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -68.8 | -38.5 | 173.6 | -172.8 | 0 | 0 | 0 | 0 | 111.9 | R6 T7 T14 | R6-S10 VanDerWaalsContact O-CB 3.3Å; R6-S10 WeakPolarHBondContact O-CB 3.26Å; R6-S10 PolarHBondContact O-N 3.26Å; T7-S10 PolarHBondContact O-N 3.32Å; S10-T14 PolarHBondContact O-N 3.3Å; S10-T14 VanDerWaalsContact O-N 3.17Å; S10-T14 PolarHBondContact O-OG1 3.13Å |
| 11 | A | 52.1 | Low | 60.2 | Low | 56 Ų | 56 | 109.5 Ų | 109.5 | 46% | 0.463 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69 | -44.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | T7 Q8 T14 V15 | T7-A11 WeakPolarHBondContact O-CB 3.44Å; T7-A11 PolarHBondContact O-N 3.35Å; Q8-A11 PolarHBondContact O-N 3.06Å; A11-T14 PolarHBondContact O-N 3.41Å; A11-V15 WeakPolarHBondContact O-CG2 3.48Å; A11-V15 PolarHBondContact O-N 3.41Å; A11-V15 VanDerWaalsContact O-N 3.14Å |
| 12 | E | 47.2 | Very low | 62.4 | Low | 136 Ų | 136 | 101.7 Ų | 101.7 | 64% | 0.636 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.4 | -41.4 | 175.4 | -84.5 | 176.2 | 152.3 | 0 | 0 | 112.6 | Q8 T14 V15 T16 | Q8-E12 PolarHBondContact O-N 2.56Å; E12-T14 VanDerWaalsContact C-N 3.31Å; E12-T14 PolarHBondContact O-N 3.38Å; E12-V15 PolarHBondContact O-N 3.18Å; E12-T16 WeakPolarHBondContact O-CG2 3.34Å; E12-T16 PolarHBondContact O-N 2.78Å; E12-T16 VanDerWaalsContact O-N 3.14Å; E12-T16 PolarHBondContact O-OG1 2.89Å |
| 13 | Q | 48.7 | Very low | 64.5 | Low | 116 Ų | 116 | 93.4 Ų | 93.4 | 54% | 0.542 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.7 | -34.3 | 176.6 | -79.5 | -176.7 | -40.7 | 0 | 0 | 112.8 | K9 T16 R17 | K9-Q13 VanDerWaalsContact O-CB 3.32Å; K9-Q13 WeakPolarHBondContact O-CB 3.29Å; K9-Q13 VanDerWaalsContact O-CG 3.29Å; K9-Q13 WeakPolarHBondContact O-CG 3.45Å; K9-Q13 PolarHBondContact O-N 2.87Å; Q13-T16 WeakPolarHBondContact CA-OG1 3.45Å; Q13-T16 PolarHBondContact O-N 2.73Å; Q13-T16 PolarHBondContact O-OG1 3.01Å; Q13-R17 PolarHBondContact O-N 3.36Å |
| 14 | T | 52.6 | Low | 66.8 | Low | 60 Ų | 60 | 94.7 Ų | 94.7 | 37% | 0.368 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -70 | -34.8 | 176.1 | -57.5 | 0 | 0 | 0 | 0 | 111.9 | S10 A11 E12 T16 Q22 | S10-T14 PolarHBondContact O-N 3.3Å; S10-T14 VanDerWaalsContact O-N 3.17Å; S10-T14 PolarHBondContact O-OG1 3.13Å; A11-T14 PolarHBondContact O-N 3.41Å; E12-T14 VanDerWaalsContact C-N 3.31Å; E12-T14 PolarHBondContact O-N 3.38Å; T14-T16 VanDerWaalsContact C-N 3.34Å; T14-Q22 PolarHBondContact O-NE2 2.82Å |
| 15 | V | 56.7 | Low | 69.1 | Low | 95 Ų | 95 | 94.7 Ų | 94.7 | 58% | 0.576 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -69.4 | -32.1 | 174.6 | 178.8 | 0 | 0 | 0 | 0 | 111.8 | A11 E12 R17 | A11-V15 WeakPolarHBondContact O-CG2 3.48Å; A11-V15 PolarHBondContact O-N 3.41Å; A11-V15 VanDerWaalsContact O-N 3.14Å; E12-V15 PolarHBondContact O-N 3.18Å; V15-R17 VanDerWaalsContact C-N 3.35Å; V15-R17 PolarHBondContact O-N 2.98Å |
| 16 | T | 61.7 | Low | 71.7 | Confident | 115 Ų | 115 | 90.4 Ų | 90.4 | 71% | 0.706 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -9.5 | 179.4 | 54.4 | 0 | 0 | 0 | 0 | 115.7 | E12 Q13 T14 | E12-T16 WeakPolarHBondContact O-CG2 3.34Å; E12-T16 PolarHBondContact O-N 2.78Å; E12-T16 VanDerWaalsContact O-N 3.14Å; E12-T16 PolarHBondContact O-OG1 2.89Å; Q13-T16 WeakPolarHBondContact CA-OG1 3.45Å; Q13-T16 PolarHBondContact O-N 2.73Å; Q13-T16 PolarHBondContact O-OG1 3.01Å; T14-T16 VanDerWaalsContact C-N 3.34Å |
| 17 | R | 80 | Confident | 74.1 | Confident | 158 Ų | 158 | 80.7 Ų | 80.7 | 60% | 0.596 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -87.2 | 144 | 180 | -107.7 | -177.3 | 174.6 | 142.1 | -0.5 | 111.7 | Q13 V15 E21 Q22 | Q13-R17 PolarHBondContact O-N 3.36Å; V15-R17 VanDerWaalsContact C-N 3.35Å; V15-R17 PolarHBondContact O-N 2.98Å; R17-E21 IonicContact NE-OE2 2.65Å; R17-Q22 HydrophobicContact CB-CG 3.93Å; R17-Q22 PolarHBondContact O-NE2 3.21Å |
| 18 | D | 95.3 | Very high | 76.4 | Confident | 78 Ų | 78 | 82.3 Ų | 82.3 | 42% | 0.417 | 42% | 0.415 | S | S | . | . | trans | -58.4 | 138 | 175.2 | -87.3 | -14.9 | 0 | 0 | 0 | 112 | S20 E21 Q22 N192 | D18-S20 PolarHBondContact O-N 3.45Å; D18-E21 HydrophobicContact CB-CB 4.48Å; D18-E21 HydrophobicContact CB-CG 4.09Å; D18-E21 PolarHBondContact O-N 2.64Å; D18-Q22 WeakPolarHBondContact O-CG 3.41Å; D18-Q22 PolarHBondContact O-N 3.21Å; D18-Q22 VanDerWaalsContact O-N 3.07Å; D18-N192 HydrophobicContact CB-CB 4.46Å; D18-N192 WeakPolarHBondContact CB-ND2 3.46Å; D18-N192 VanDerWaalsContact CG-CG 3.49Å; D18-N192 PolarHBondContact OD2-ND2 3.38Å | ||
| 19 | L | 96.4 | Very high | 78.9 | Confident | 2 Ų | 2 | 83.8 Ų | 83.8 | 1% | 0.01 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -55.5 | -38.4 | -178.9 | 179.7 | 59.5 | 0 | 0 | 0 | 111.7 | E21 Q22 I23 V136 M191 N192 L196 R201 V204 L205 | L19-E21 PolarHBondContact O-N 3.5Å; L19-Q22 PolarHBondContact O-N 3.34Å; L19-I23 HydrophobicContact CD1-CD1 4.15Å; L19-I23 HydrophobicContact CD1-CG1 4.19Å; L19-I23 HydrophobicContact CG-CD1 4.03Å; L19-I23 HydrophobicContact CG-CG1 4.46Å; L19-I23 WeakPolarHBondContact O-CG1 3.42Å; L19-I23 PolarHBondContact O-N 3.15Å; L19-V136 HydrophobicContact CD2-CG1 4.42Å; L19-M191 HydrophobicContact CD2-CG 3.98Å; L19-M191 HydrophobicContact CG-CG 4.42Å; L19-N192 PolarHBondContact N-OD1 3.44Å; L19-L196 HydrophobicContact CD2-CD1 3.94Å; L19-R201 HydrophobicContact CD1-CG 4.35Å; L19-V204 HydrophobicContact CD1-CG1 4.19Å; L19-L205 HydrophobicContact CD1-CD2 4.2Å |
| 20 | S | 95.9 | Very high | 81.5 | Confident | 8 Ų | 8 | 77.7 Ų | 77.7 | 6% | 0.056 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.6 | -36.2 | 177.4 | 58.2 | 0 | 0 | 0 | 0 | 114.4 | D18 K24 N192 | D18-S20 PolarHBondContact O-N 3.45Å; S20-K24 WeakPolarHBondContact O-CB 3.46Å; S20-K24 PolarHBondContact O-N 3.42Å; S20-K24 VanDerWaalsContact O-N 3.11Å; S20-N192 WeakPolarHBondContact CB-OD1 3.3Å; S20-N192 PolarHBondContact N-OD1 3.5Å; S20-N192 PolarHBondContact OG-ND2 3.03Å; S20-N192 PolarHBondContact OG-OD1 2.81Å |
| 21 | E | 96.7 | Very high | 83.5 | Confident | 103 Ų | 103 | 78.4 Ų | 78.4 | 48% | 0.481 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -71.6 | -41.6 | 175.4 | -63.9 | -169 | 153.1 | 0 | 0 | 110.9 | R17 D18 L19 K24 E25 | R17-E21 IonicContact NE-OE2 2.65Å; D18-E21 HydrophobicContact CB-CB 4.48Å; D18-E21 HydrophobicContact CB-CG 4.09Å; D18-E21 PolarHBondContact O-N 2.64Å; L19-E21 PolarHBondContact O-N 3.5Å; E21-K24 PolarHBondContact O-N 3.34Å; E21-E25 PolarHBondContact O-N 3.47Å |
| 22 | Q | 97.6 | Very high | 85.6 | Confident | 11 Ų | 11 | 79.2 Ų | 79.2 | 5% | 0.051 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.2 | -49.1 | 177.2 | -62.9 | -174.1 | 53.2 | 0 | 0 | 111.3 | T14 R17 D18 L19 K24 E25 V26 L205 | T14-Q22 PolarHBondContact O-NE2 2.82Å; R17-Q22 HydrophobicContact CB-CG 3.93Å; R17-Q22 PolarHBondContact O-NE2 3.21Å; D18-Q22 WeakPolarHBondContact O-CG 3.41Å; D18-Q22 PolarHBondContact O-N 3.21Å; D18-Q22 VanDerWaalsContact O-N 3.07Å; L19-Q22 PolarHBondContact O-N 3.34Å; Q22-K24 VanDerWaalsContact C-N 3.33Å; Q22-K24 PolarHBondContact O-N 2.92Å; Q22-E25 PolarHBondContact O-N 2.93Å; Q22-V26 WeakPolarHBondContact O-CG1 3.28Å; Q22-V26 WeakPolarHBondContact O-CG2 3.34Å; Q22-V26 PolarHBondContact O-N 3.21Å; Q22-L205 HydrophobicContact CB-CD1 4.26Å; Q22-L205 HydrophobicContact CB-CD2 3.66Å |
| 23 | I | 97.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 78.2 Ų | 78.2 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -58.6 | -45.9 | 176.3 | -69.4 | 174.4 | 0 | 0 | 0 | 110.6 | L19 E25 V26 T27 Y140 M191 V204 L205 A208 | L19-I23 HydrophobicContact CD1-CD1 4.15Å; L19-I23 HydrophobicContact CD1-CG1 4.19Å; L19-I23 HydrophobicContact CG-CD1 4.03Å; L19-I23 HydrophobicContact CG-CG1 4.46Å; L19-I23 WeakPolarHBondContact O-CG1 3.42Å; L19-I23 PolarHBondContact O-N 3.15Å; I23-E25 VanDerWaalsContact C-N 3.28Å; I23-E25 PolarHBondContact O-N 3.45Å; I23-V26 PolarHBondContact O-N 3.32Å; I23-T27 HydrophobicContact CG2-CG2 4.15Å; I23-T27 WeakPolarHBondContact O-CB 3.33Å; I23-T27 WeakPolarHBondContact O-CG2 3.23Å; I23-T27 PolarHBondContact O-N 3.44Å; I23-T27 PolarHBondContact O-OG1 3.33Å; I23-Y140 HydrophobicContact CB-CE1 4.35Å; I23-Y140 HydrophobicContact CG2-CD1 3.43Å; I23-Y140 VanDerWaalsContact CG2-CD1 3.43Å; I23-Y140 HydrophobicContact CG2-CE1 3.32Å; I23-Y140 HydrophobicContact CG2-CG 4.13Å; I23-M191 HydrophobicContact CD1-CE 4.1Å; I23-M191 HydrophobicContact CD1-SD 3.96Å; I23-V204 HydrophobicContact CD1-CG1 4.01Å; I23-L205 HydrophobicContact CB-CD2 4.49Å; I23-L205 HydrophobicContact CG1-CD2 3.69Å; I23-A208 HydrophobicContact CG1-CB 4.37Å; I23-A208 HydrophobicContact CG2-CB 3.82Å |
| 24 | K | 95.8 | Very high | 90.3 | Very high | 140 Ų | 140 | 73.1 Ų | 73.1 | 61% | 0.609 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -58 | -41.6 | 178.3 | -178.9 | -175.3 | 175.5 | -171.8 | 0 | 111.9 | S20 E21 Q22 K28 | S20-K24 WeakPolarHBondContact O-CB 3.46Å; S20-K24 PolarHBondContact O-N 3.42Å; S20-K24 VanDerWaalsContact O-N 3.11Å; E21-K24 PolarHBondContact O-N 3.34Å; Q22-K24 VanDerWaalsContact C-N 3.33Å; Q22-K24 PolarHBondContact O-N 2.92Å; K24-K28 PolarHBondContact O-N 2.91Å |
| 25 | E | 97.4 | Very high | 92.2 | Very high | 124 Ų | 124 | 74.1 Ų | 74.1 | 58% | 0.579 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -69.1 | -52.5 | -179.7 | -172 | 60.6 | -155.6 | 0 | 0 | 111.5 | E21 Q22 I23 T27 K28 | E21-E25 PolarHBondContact O-N 3.47Å; Q22-E25 PolarHBondContact O-N 2.93Å; I23-E25 VanDerWaalsContact C-N 3.28Å; I23-E25 PolarHBondContact O-N 3.45Å; E25-T27 PolarHBondContact O-N 3.39Å; E25-K28 VanDerWaalsContact O-CB 3.24Å; E25-K28 WeakPolarHBondContact O-CB 3.48Å; E25-K28 PolarHBondContact O-N 3.17Å |
| 26 | V | 97.9 | Very high | 94.1 | Very high | 61 Ų | 61 | 74.1 Ų | 74.1 | 37% | 0.37 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.2 | -26.5 | -175.9 | -56.5 | 0 | 0 | 0 | 0 | 113 | Q22 I23 L205 V209 | Q22-V26 WeakPolarHBondContact O-CG1 3.28Å; Q22-V26 WeakPolarHBondContact O-CG2 3.34Å; Q22-V26 PolarHBondContact O-N 3.21Å; I23-V26 PolarHBondContact O-N 3.32Å; V26-L205 HydrophobicContact CG2-CB 4.24Å; V26-L205 HydrophobicContact CG2-CD2 4.2Å; V26-V209 HydrophobicContact CB-CG2 4.31Å; V26-V209 HydrophobicContact CG2-CG2 4.15Å |
| 27 | T | 97.7 | Very high | 95.8 | Very high | 6 Ų | 6 | 69.1 Ų | 69.1 | 4% | 0.037 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -2.8 | 179.3 | 58.9 | 0 | 0 | 0 | 0 | 114 | I23 E25 E29 S30 H31 A208 V209 F212 | I23-T27 HydrophobicContact CG2-CG2 4.15Å; I23-T27 WeakPolarHBondContact O-CB 3.33Å; I23-T27 WeakPolarHBondContact O-CG2 3.23Å; I23-T27 PolarHBondContact O-N 3.44Å; I23-T27 PolarHBondContact O-OG1 3.33Å; E25-T27 PolarHBondContact O-N 3.39Å; T27-E29 PolarHBondContact O-N 3.07Å; T27-S30 PolarHBondContact O-N 3.31Å; T27-H31 WeakPolarHBondContact O-CB 3.36Å; T27-H31 PolarHBondContact O-N 3.41Å; T27-A208 HydrophobicContact CG2-CB 3.72Å; T27-V209 HydrophobicContact CG2-CG2 4.4Å; T27-F212 HydrophobicContact CG2-CD2 3.74Å; T27-F212 HydrophobicContact CG2-CE2 3.74Å |
| 28 | K | 97.1 | Very high | 96.5 | Very high | 130 Ų | 130 | 67.3 Ų | 67.3 | 57% | 0.565 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -54.9 | -47.3 | -174 | -176.9 | -177.8 | 178.2 | -176.1 | 0 | 113.2 | K24 E25 H31 V32 | K24-K28 PolarHBondContact O-N 2.91Å; E25-K28 VanDerWaalsContact O-CB 3.24Å; E25-K28 WeakPolarHBondContact O-CB 3.48Å; E25-K28 PolarHBondContact O-N 3.17Å; K28-H31 PolarHBondContact O-N 3.46Å; K28-V32 WeakPolarHBondContact O-CG2 3.06Å; K28-V32 PolarHBondContact O-N 3.21Å |
| 29 | E | 97.4 | Very high | 96.4 | Very high | 159 Ų | 159 | 63.7 Ų | 63.7 | 74% | 0.743 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -69.5 | -42.8 | -179.9 | -65.1 | -170.7 | 166.9 | 0 | 0 | 112.2 | T27 H31 V32 R33 | T27-E29 PolarHBondContact O-N 3.07Å; E29-H31 VanDerWaalsContact C-N 3.3Å; E29-H31 PolarHBondContact O-N 3.2Å; E29-V32 PolarHBondContact O-N 3.23Å; E29-R33 PolarHBondContact O-N 3.13Å |
| 30 | S | 96.9 | Very high | 96.3 | Very high | 6 Ų | 6 | 64.4 Ų | 64.4 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.1 | -33 | 177 | -67 | 0 | 0 | 0 | 0 | 112.4 | T27 R33 A34 F212 E213 | T27-S30 PolarHBondContact O-N 3.31Å; S30-R33 PolarHBondContact O-N 2.86Å; S30-R33 PolarHBondContact OG-NH2 3.29Å; S30-A34 WeakPolarHBondContact O-CB 3.16Å; S30-A34 PolarHBondContact O-N 3.25Å; S30-F212 VanDerWaalsContact CB-CB 3.49Å; S30-E213 PolarHBondContact OG-OE1 2.87Å |
| 31 | H | 94.7 | Very high | 96.3 | Very high | 82 Ų | 82 | 65.8 Ų | 65.8 | 38% | 0.38 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61 | -49.6 | 171.3 | -177.9 | -78.7 | 0 | 0 | 0 | 111.3 | T27 K28 E29 R33 A34 E35 F212 | T27-H31 WeakPolarHBondContact O-CB 3.36Å; T27-H31 PolarHBondContact O-N 3.41Å; K28-H31 PolarHBondContact O-N 3.46Å; E29-H31 VanDerWaalsContact C-N 3.3Å; E29-H31 PolarHBondContact O-N 3.2Å; H31-R33 VanDerWaalsContact C-N 3.3Å; H31-R33 PolarHBondContact O-N 3.3Å; H31-A34 PolarHBondContact O-N 2.95Å; H31-E35 IonicContact CE1-OE1 3.11Å; H31-E35 PolarHBondContact CE1-OE1 2.96Å; H31-E35 IonicContact CE1-OE2 3.29Å; H31-E35 PolarHBondContact CE1-OE2 2.85Å; H31-E35 VanDerWaalsContact CE1-OE2 3.29Å; H31-E35 IonicContact ND1-OE1 3.86Å; H31-E35 IonicContact ND1-OE2 3.26Å; H31-E35 PolarHBondContact ND1-OE2 3.18Å; H31-E35 IonicContact NE2-OE1 3.41Å; H31-E35 PolarHBondContact O-N 2.93Å; H31-F212 HydrophobicContact CB-CD1 4.36Å; H31-F212 HydrophobicContact CB-CE1 3.73Å; H31-F212 HydrophobicContact CB-CZ 4.1Å; H31-F212 AromaticContact CD2-CE1 3.76Å; H31-F212 AromaticContact CD2-CZ 3.92Å |
| 32 | V | 97.1 | Very high | 96.1 | Very high | 74 Ų | 74 | 61.6 Ų | 61.6 | 45% | 0.448 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.5 | -43.6 | 176.5 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | K28 E29 E35 N36 | K28-V32 WeakPolarHBondContact O-CG2 3.06Å; K28-V32 PolarHBondContact O-N 3.21Å; E29-V32 PolarHBondContact O-N 3.23Å; V32-E35 PolarHBondContact O-N 3.48Å; V32-N36 PolarHBondContact O-N 3.39Å; V32-N36 PolarHBondContact O-ND2 2.82Å |
| 33 | R | 97.8 | Very high | 95.9 | Very high | 114 Ų | 114 | 61.1 Ų | 61.1 | 43% | 0.43 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 176.4 | -74.1 | -166.4 | -67.5 | 119.7 | -1.1 | 112.6 | E29 S30 H31 E35 N36 T37 E213 I216 | E29-R33 PolarHBondContact O-N 3.13Å; S30-R33 PolarHBondContact O-N 2.86Å; S30-R33 PolarHBondContact OG-NH2 3.29Å; H31-R33 VanDerWaalsContact C-N 3.3Å; H31-R33 PolarHBondContact O-N 3.3Å; R33-E35 PolarHBondContact O-N 3.5Å; R33-N36 CarbonylContact O-C 3.6Å; R33-N36 PolarHBondContact O-N 3.06Å; R33-N36 VanDerWaalsContact O-N 3.14Å; R33-T37 PolarHBondContact O-N 2.96Å; R33-E213 IonicContact CZ-OE1 3.43Å; R33-E213 IonicContact CZ-OE2 3.49Å; R33-E213 IonicContact NH1-OE1 3.51Å; R33-E213 IonicContact NH1-OE2 2.81Å; R33-E213 PolarHBondContact NH1-OE2 3.24Å; R33-E213 IonicContact NH2-OE1 2.6Å; R33-E213 PolarHBondContact NH2-OE1 3.08Å; R33-E213 IonicContact NH2-OE2 3.25Å; R33-E213 PolarHBondContact NH2-OE2 2.84Å; R33-I216 HydrophobicContact CB-CD1 3.88Å |
| 34 | A | 95.4 | Very high | 95.7 | Very high | 10 Ų | 10 | 65.8 Ų | 65.8 | 8% | 0.083 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.8 | -44.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S30 H31 N36 T37 M40 F212 I216 | S30-A34 WeakPolarHBondContact O-CB 3.16Å; S30-A34 PolarHBondContact O-N 3.25Å; H31-A34 PolarHBondContact O-N 2.95Å; A34-N36 PolarHBondContact O-N 2.86Å; A34-T37 WeakPolarHBondContact O-CG2 3.37Å; A34-T37 PolarHBondContact O-N 3.1Å; A34-T37 PolarHBondContact O-OG1 2.82Å; A34-M40 WeakPolarHBondContact O-CG 3.45Å; A34-F212 HydrophobicContact CB-CD1 4.12Å; A34-I216 HydrophobicContact CB-CD1 4.27Å; A34-I216 HydrophobicContact CB-CG1 3.83Å |
| 35 | E | 93.8 | Very high | 95.7 | Very high | 80 Ų | 80 | 66.9 Ų | 66.9 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.5 | -24.5 | 177 | -69.7 | -176.1 | 135.9 | 0 | 0 | 113.4 | H31 V32 R33 M40 | H31-E35 IonicContact CE1-OE1 3.11Å; H31-E35 PolarHBondContact CE1-OE1 2.96Å; H31-E35 IonicContact CE1-OE2 3.29Å; H31-E35 PolarHBondContact CE1-OE2 2.85Å; H31-E35 VanDerWaalsContact CE1-OE2 3.29Å; H31-E35 IonicContact ND1-OE1 3.86Å; H31-E35 IonicContact ND1-OE2 3.26Å; H31-E35 PolarHBondContact ND1-OE2 3.18Å; H31-E35 IonicContact NE2-OE1 3.41Å; H31-E35 PolarHBondContact O-N 2.93Å; V32-E35 PolarHBondContact O-N 3.48Å; R33-E35 PolarHBondContact O-N 3.5Å; E35-M40 WeakPolarHBondContact O-CB 3.48Å |
| 36 | N | 96.1 | Very high | 95.6 | Very high | 95 Ų | 95 | 62.5 Ų | 62.5 | 51% | 0.508 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 7.4 | 179.6 | -75.3 | -74.5 | 0 | 0 | 0 | 114.1 | V32 R33 A34 L41 | V32-N36 PolarHBondContact O-N 3.39Å; V32-N36 PolarHBondContact O-ND2 2.82Å; R33-N36 CarbonylContact O-C 3.6Å; R33-N36 PolarHBondContact O-N 3.06Å; R33-N36 VanDerWaalsContact O-N 3.14Å; A34-N36 PolarHBondContact O-N 2.86Å; N36-L41 WeakPolarHBondContact O-CD1 3.24Å |
| 37 | T | 96.5 | Very high | 95.5 | Very high | 10 Ų | 10 | 65.3 Ų | 65.3 | 6% | 0.061 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -64.9 | 151.1 | 169.8 | 58.1 | 0 | 0 | 0 | 0 | 111 | R33 A34 L39 M40 L41 I216 F219 | R33-T37 PolarHBondContact O-N 2.96Å; A34-T37 WeakPolarHBondContact O-CG2 3.37Å; A34-T37 PolarHBondContact O-N 3.1Å; A34-T37 PolarHBondContact O-OG1 2.82Å; T37-L39 VanDerWaalsContact C-N 3.26Å; T37-L39 PolarHBondContact O-N 3.29Å; T37-M40 PolarHBondContact O-N 3.15Å; T37-M40 VanDerWaalsContact O-N 3.08Å; T37-M40 WeakPolarHBondContact OG1-CB 3.32Å; T37-M40 VanDerWaalsContact OG1-CG 3.29Å; T37-M40 WeakPolarHBondContact OG1-CG 3.39Å; T37-L41 WeakPolarHBondContact O-CG 3.38Å; T37-L41 PolarHBondContact O-N 3.35Å; T37-I216 HydrophobicContact CG2-CB 4.46Å; T37-I216 HydrophobicContact CG2-CG1 4.31Å; T37-I216 HydrophobicContact CG2-CG2 4.05Å; T37-F219 HydrophobicContact CG2-CB 4.31Å; T37-F219 HydrophobicContact CG2-CD2 4.21Å |
| 38 | E | 94.6 | Very high | 95.3 | Very high | 121 Ų | 121 | 65.3 Ų | 65.3 | 57% | 0.565 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -56.3 | -40.4 | -177.1 | -69.7 | -167.8 | 173.9 | 0 | 0 | 112.7 | S42 Q223 | E38-S42 WeakPolarHBondContact O-CB 3.35Å; E38-S42 PolarHBondContact O-N 2.84Å; E38-Q223 HydrophobicContact CB-CG 4.18Å; E38-Q223 VanDerWaalsContact OE2-CD 3.3Å; E38-Q223 WeakPolarHBondContact OE2-CG 3.43Å; E38-Q223 PolarHBondContact OE2-NE2 2.82Å |
| 39 | L | 92.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.9 | -46.8 | 177.7 | -175.1 | 64.1 | 0 | 0 | 0 | 111 | T37 S42 F43 Q52 L56 F219 L222 | T37-L39 VanDerWaalsContact C-N 3.26Å; T37-L39 PolarHBondContact O-N 3.29Å; L39-S42 WeakPolarHBondContact O-CB 3.49Å; L39-S42 PolarHBondContact O-N 2.93Å; L39-F43 HydrophobicContact CD1-CE2 4.24Å; L39-F43 HydrophobicContact CG-CD2 4.35Å; L39-F43 HydrophobicContact CG-CE2 4.22Å; L39-F43 WeakPolarHBondContact O-CD2 3.47Å; L39-F43 PolarHBondContact O-N 2.97Å; L39-Q52 HydrophobicContact CD1-CB 3.96Å; L39-Q52 HydrophobicContact CD1-CG 3.99Å; L39-L56 HydrophobicContact CD2-CD1 4.43Å; L39-F219 HydrophobicContact CB-CB 4.31Å; L39-F219 HydrophobicContact CD2-CB 4.31Å; L39-F219 HydrophobicContact CD2-CD1 3.84Å; L39-F219 HydrophobicContact CD2-CG 4.31Å; L39-L222 HydrophobicContact CD2-CB 4.47Å; L39-L222 HydrophobicContact CD2-CD1 3.85Å |
| 40 | M | 94.4 | Very high | 95 | Very high | 18 Ų | 18 | 58.2 Ų | 58.2 | 9% | 0.089 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.8 | -38.8 | -179.9 | -68.4 | -57.4 | 101.9 | 0 | 0 | 112.2 | A34 E35 T37 S42 F43 Q44 L153 F219 | A34-M40 WeakPolarHBondContact O-CG 3.45Å; E35-M40 WeakPolarHBondContact O-CB 3.48Å; T37-M40 PolarHBondContact O-N 3.15Å; T37-M40 VanDerWaalsContact O-N 3.08Å; T37-M40 WeakPolarHBondContact OG1-CB 3.32Å; T37-M40 VanDerWaalsContact OG1-CG 3.29Å; T37-M40 WeakPolarHBondContact OG1-CG 3.39Å; M40-S42 VanDerWaalsContact C-N 3.28Å; M40-S42 PolarHBondContact O-N 3.2Å; M40-F43 HydrophobicContact CE-CD2 3.76Å; M40-F43 HydrophobicContact CE-CE2 3.99Å; M40-F43 WeakPolarHBondContact O-CB 3.42Å; M40-F43 PolarHBondContact O-N 2.82Å; M40-Q44 WeakPolarHBondContact O-CG 3.31Å; M40-Q44 PolarHBondContact O-N 3.27Å; M40-L153 HydrophobicContact SD-CD1 4.25Å; M40-F219 HydrophobicContact CE-CD1 4.25Å; M40-F219 HydrophobicContact CE-CD2 4.44Å; M40-F219 HydrophobicContact CE-CE1 4.01Å; M40-F219 HydrophobicContact CE-CE2 4.21Å; M40-F219 HydrophobicContact CE-CG 4.47Å; M40-F219 HydrophobicContact CE-CZ 3.99Å; M40-F219 HydrophobicContact CG-CD2 4.01Å; M40-F219 HydrophobicContact CG-CE2 3.88Å; M40-F219 HydrophobicContact SD-CE2 4.15Å; M40-F219 HydrophobicContact SD-CZ 4.22Å |
| 41 | L | 95.7 | Very high | 94.9 | Very high | 36 Ų | 36 | 61.5 Ų | 61.5 | 19% | 0.188 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.3 | -38 | 172 | -70.1 | 174.5 | 0 | 0 | 0 | 111.7 | N36 T37 Q44 R45 | N36-L41 WeakPolarHBondContact O-CD1 3.24Å; T37-L41 WeakPolarHBondContact O-CG 3.38Å; T37-L41 PolarHBondContact O-N 3.35Å; L41-Q44 PolarHBondContact O-N 3.15Å; L41-R45 WeakPolarHBondContact O-CB 3.49Å; L41-R45 VanDerWaalsContact O-CG 3.22Å; L41-R45 WeakPolarHBondContact O-CG 3.4Å; L41-R45 PolarHBondContact O-N 3.01Å |
| 42 | S | 94 | Very high | 94.9 | Very high | 15 Ų | 15 | 58.6 Ų | 58.6 | 11% | 0.105 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 173.8 | 177.9 | 0 | 0 | 0 | 0 | 111.5 | E38 L39 M40 R45 G46 Q47 V48 | E38-S42 WeakPolarHBondContact O-CB 3.35Å; E38-S42 PolarHBondContact O-N 2.84Å; L39-S42 WeakPolarHBondContact O-CB 3.49Å; L39-S42 PolarHBondContact O-N 2.93Å; M40-S42 VanDerWaalsContact C-N 3.28Å; M40-S42 PolarHBondContact O-N 3.2Å; S42-R45 PolarHBondContact O-N 3.34Å; S42-G46 PolarHBondContact O-N 3.25Å; S42-Q47 WeakPolarHBondContact O-CA 3.49Å; S42-Q47 PolarHBondContact O-N 3.27Å; S42-Q47 PolarHBondContact OG-O 3.33Å; S42-Q47 VanDerWaalsContact OG-O 3.13Å; S42-V48 PolarHBondContact O-N 3.36Å; S42-V48 WeakPolarHBondContact OG-CA 3.47Å; S42-V48 PolarHBondContact OG-N 2.71Å |
| 43 | F | 93.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.009 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.6 | -53.8 | 170.7 | -89.1 | -87.5 | 0 | 0 | 0 | 111.8 | L39 M40 R45 G46 V48 Y53 L56 L153 I156 A157 | L39-F43 HydrophobicContact CD1-CE2 4.24Å; L39-F43 HydrophobicContact CG-CD2 4.35Å; L39-F43 HydrophobicContact CG-CE2 4.22Å; L39-F43 WeakPolarHBondContact O-CD2 3.47Å; L39-F43 PolarHBondContact O-N 2.97Å; M40-F43 HydrophobicContact CE-CD2 3.76Å; M40-F43 HydrophobicContact CE-CE2 3.99Å; M40-F43 WeakPolarHBondContact O-CB 3.42Å; M40-F43 PolarHBondContact O-N 2.82Å; F43-R45 PolarHBondContact O-N 3.23Å; F43-G46 PolarHBondContact O-N 3.04Å; F43-V48 HydrophobicContact CD1-CB 4.05Å; F43-V48 HydrophobicContact CD1-CG1 3.81Å; F43-V48 HydrophobicContact CD1-CG2 4.22Å; F43-V48 HydrophobicContact CD2-CB 4.2Å; F43-V48 HydrophobicContact CD2-CG2 4.04Å; F43-V48 HydrophobicContact CE1-CB 4.2Å; F43-V48 HydrophobicContact CE1-CG1 3.96Å; F43-V48 HydrophobicContact CE1-CG2 3.9Å; F43-V48 HydrophobicContact CE2-CB 4.34Å; F43-V48 HydrophobicContact CE2-CG2 3.68Å; F43-V48 HydrophobicContact CG-CB 4.06Å; F43-V48 HydrophobicContact CG-CG1 4.28Å; F43-V48 HydrophobicContact CG-CG2 4.29Å; F43-V48 HydrophobicContact CZ-CB 4.35Å; F43-V48 HydrophobicContact CZ-CG2 3.62Å; F43-Y53 HydrophobicContact CE1-CD2 4.46Å; F43-Y53 AromaticContact CZ-CD2 4Å; F43-Y53 HydrophobicContact CZ-CD2 4Å; F43-L56 HydrophobicContact CE2-CD2 3.8Å; F43-L56 HydrophobicContact CZ-CD2 3.7Å; F43-L153 HydrophobicContact CB-CD2 3.63Å; F43-L153 HydrophobicContact CD1-CB 4.46Å; F43-L153 HydrophobicContact CD1-CD2 4.07Å; F43-L153 HydrophobicContact CG-CD2 4.02Å; F43-I156 WeakPolarHBondContact O-CG2 3.08Å; F43-A157 HydrophobicContact CE1-CB 4.09Å |
| 44 | Q | 92.9 | Very high | 94.8 | Very high | 98 Ų | 98 | 51.7 Ų | 51.7 | 46% | 0.458 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.2 | -32.5 | -176.2 | -70.9 | 171.7 | -7.8 | 0 | 0 | 112.9 | M40 L41 G46 | M40-Q44 WeakPolarHBondContact O-CG 3.31Å; M40-Q44 PolarHBondContact O-N 3.27Å; L41-Q44 PolarHBondContact O-N 3.15Å; Q44-G46 VanDerWaalsContact C-N 3.3Å |
| 45 | R | 95.9 | Very high | 94.9 | Very high | 162 Ų | 162 | 52.4 Ų | 52.4 | 61% | 0.611 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -2.9 | 176.1 | -66.3 | 171.6 | -168.8 | 162.9 | 4.6 | 113.9 | L41 S42 F43 Q47 | L41-R45 WeakPolarHBondContact O-CB 3.49Å; L41-R45 VanDerWaalsContact O-CG 3.22Å; L41-R45 WeakPolarHBondContact O-CG 3.4Å; L41-R45 PolarHBondContact O-N 3.01Å; S42-R45 PolarHBondContact O-N 3.34Å; F43-R45 PolarHBondContact O-N 3.23Å; R45-Q47 VanDerWaalsContact C-N 3.27Å; R45-Q47 HydrophobicContact CB-CB 4.44Å; R45-Q47 HydrophobicContact CB-CG 4Å; R45-Q47 PolarHBondContact O-N 3.25Å |
| 46 | G | 95.3 | Very high | 95.1 | Very high | 33 Ų | 33 | 49.1 Ų | 49.1 | 34% | 0.34 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 28.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S42 F43 Q44 S160 | S42-G46 PolarHBondContact O-N 3.25Å; F43-G46 PolarHBondContact O-N 3.04Å; Q44-G46 VanDerWaalsContact C-N 3.3Å; G46-S160 VanDerWaalsContact CA-OG 3.28Å; G46-S160 WeakPolarHBondContact CA-OG 3.24Å; G46-S160 PolarHBondContact O-OG 3.19Å |
| 47 | Q | 95.1 | Very high | 95.2 | Very high | 120 Ų | 120 | 44.6 Ų | 44.6 | 56% | 0.561 | 23% | 0.228 | S | C | * | . | trans | -109.2 | 7.6 | -176.9 | -67.1 | 178.2 | -23.3 | 0 | 0 | 112.5 | S42 R45 T49 | S42-Q47 WeakPolarHBondContact O-CA 3.49Å; S42-Q47 PolarHBondContact O-N 3.27Å; S42-Q47 PolarHBondContact OG-O 3.33Å; S42-Q47 VanDerWaalsContact OG-O 3.13Å; R45-Q47 VanDerWaalsContact C-N 3.27Å; R45-Q47 HydrophobicContact CB-CB 4.44Å; R45-Q47 HydrophobicContact CB-CG 4Å; R45-Q47 PolarHBondContact O-N 3.25Å; Q47-T49 PolarHBondContact O-N 3.27Å | ||
| 48 | V | 94.5 | Very high | 95.3 | Very high | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.03 | 23% | 0.225 | C | C | . | . | trans | -63.5 | 127.8 | 176.8 | 60.6 | 0 | 0 | 0 | 0 | 110.1 | S42 F43 Q52 | S42-V48 PolarHBondContact O-N 3.36Å; S42-V48 WeakPolarHBondContact OG-CA 3.47Å; S42-V48 PolarHBondContact OG-N 2.71Å; F43-V48 HydrophobicContact CD1-CB 4.05Å; F43-V48 HydrophobicContact CD1-CG1 3.81Å; F43-V48 HydrophobicContact CD1-CG2 4.22Å; F43-V48 HydrophobicContact CD2-CB 4.2Å; F43-V48 HydrophobicContact CD2-CG2 4.04Å; F43-V48 HydrophobicContact CE1-CB 4.2Å; F43-V48 HydrophobicContact CE1-CG1 3.96Å; F43-V48 HydrophobicContact CE1-CG2 3.9Å; F43-V48 HydrophobicContact CE2-CB 4.34Å; F43-V48 HydrophobicContact CE2-CG2 3.68Å; F43-V48 HydrophobicContact CG-CB 4.06Å; F43-V48 HydrophobicContact CG-CG1 4.28Å; F43-V48 HydrophobicContact CG-CG2 4.29Å; F43-V48 HydrophobicContact CZ-CB 4.35Å; F43-V48 HydrophobicContact CZ-CG2 3.62Å; V48-Q52 HydrophobicContact CG2-CB 4.1Å | ||
| 49 | T | 94 | Very high | 95.5 | Very high | 65 Ų | 65 | 38.4 Ų | 38.4 | 40% | 0.399 | 20% | 0.198 | S | C | . | . | trans | -92.6 | 157.6 | 178.9 | 65.6 | 0 | 0 | 0 | 0 | 111.4 | Q47 Q52 Y53 | Q47-T49 PolarHBondContact O-N 3.27Å; T49-Q52 WeakPolarHBondContact O-CB 3.4Å; T49-Q52 PolarHBondContact O-N 3.3Å; T49-Q52 WeakPolarHBondContact OG1-CB 3.2Å; T49-Q52 WeakPolarHBondContact OG1-CG 3.49Å; T49-Q52 PolarHBondContact OG1-N 3.32Å; T49-Q52 PolarHBondContact OG1-OE1 3.49Å; T49-Y53 PolarHBondContact O-N 3.33Å | ||
| 50 | L | 94.4 | Very high | 95.8 | Very high | 75 Ų | 75 | 38.8 Ų | 38.8 | 39% | 0.393 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -57.9 | -43.2 | 176 | -177.7 | 64 | 0 | 0 | 0 | 113.2 | Q52 Y53 K54 F102 M161 | L50-Q52 VanDerWaalsContact C-N 3.35Å; L50-Q52 PolarHBondContact O-N 3.23Å; L50-Y53 PolarHBondContact O-N 2.9Å; L50-K54 HydrophobicContact CD1-CD 4.19Å; L50-K54 HydrophobicContact CD1-CG 4.11Å; L50-K54 HydrophobicContact CG-CD 4.01Å; L50-K54 HydrophobicContact CG-CG 4.34Å; L50-K54 WeakPolarHBondContact O-CB 3.34Å; L50-K54 VanDerWaalsContact O-CG 3.31Å; L50-K54 WeakPolarHBondContact O-CG 3.42Å; L50-K54 PolarHBondContact O-N 3.18Å; L50-F102 HydrophobicContact CD1-CD1 3.76Å; L50-F102 HydrophobicContact CD1-CE1 3.42Å; L50-F102 VanDerWaalsContact CD1-CE1 3.42Å; L50-F102 HydrophobicContact CD1-CZ 4.14Å; L50-M161 HydrophobicContact CB-SD 4.22Å; L50-M161 HydrophobicContact CD1-SD 3.88Å |
| 51 | P | 94.4 | Very high | 96 | Very high | 75 Ų | 75 | 38.7 Ų | 38.7 | 49% | 0.487 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.8 | -40.5 | 173.9 | -26.1 | 36.5 | 0 | 0 | 0 | 113.8 | L55 L226 | P51-L55 WeakPolarHBondContact O-CG 3.08Å; P51-L55 PolarHBondContact O-N 3.2Å; P51-L55 VanDerWaalsContact O-N 3.12Å; P51-L226 HydrophobicContact CB-CD2 4Å |
| 52 | Q | 94.9 | Very high | 96.1 | Very high | 22 Ų | 22 | 38.4 Ų | 38.4 | 10% | 0.103 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.6 | -48.6 | 174.8 | -83.4 | 166.3 | -42.7 | 0 | 0 | 111.4 | L39 V48 T49 L50 L55 L56 L226 | L39-Q52 HydrophobicContact CD1-CB 3.96Å; L39-Q52 HydrophobicContact CD1-CG 3.99Å; V48-Q52 HydrophobicContact CG2-CB 4.1Å; T49-Q52 WeakPolarHBondContact O-CB 3.4Å; T49-Q52 PolarHBondContact O-N 3.3Å; T49-Q52 WeakPolarHBondContact OG1-CB 3.2Å; T49-Q52 WeakPolarHBondContact OG1-CG 3.49Å; T49-Q52 PolarHBondContact OG1-N 3.32Å; T49-Q52 PolarHBondContact OG1-OE1 3.49Å; L50-Q52 VanDerWaalsContact C-N 3.35Å; L50-Q52 PolarHBondContact O-N 3.23Å; Q52-L55 PolarHBondContact O-N 3.47Å; Q52-L56 WeakPolarHBondContact O-CB 3.26Å; Q52-L56 PolarHBondContact O-N 3.45Å; Q52-L226 HydrophobicContact CB-CD1 4.18Å; Q52-L226 HydrophobicContact CG-CD1 3.23Å; Q52-L226 HydrophobicContact CG-CD2 4.42Å; Q52-L226 HydrophobicContact CG-CG 4.43Å |
| 53 | Y | 96.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66 | -41.6 | -178.1 | -177.5 | -123.8 | 0 | 0 | 0 | 112.6 | F43 T49 L50 L55 L56 L57 F102 M161 G168 L169 F172 | F43-Y53 HydrophobicContact CE1-CD2 4.46Å; F43-Y53 AromaticContact CZ-CD2 4Å; F43-Y53 HydrophobicContact CZ-CD2 4Å; T49-Y53 PolarHBondContact O-N 3.33Å; L50-Y53 PolarHBondContact O-N 2.9Å; Y53-L55 PolarHBondContact O-N 2.85Å; Y53-L56 HydrophobicContact CD2-CD2 4.46Å; Y53-L56 WeakPolarHBondContact O-CB 3.49Å; Y53-L56 PolarHBondContact O-N 2.97Å; Y53-L57 HydrophobicContact CD1-CD1 4.11Å; Y53-L57 HydrophobicContact CE1-CD1 3.65Å; Y53-L57 HydrophobicContact CE1-CG 4.25Å; Y53-L57 HydrophobicContact CE2-CD1 4.39Å; Y53-L57 HydrophobicContact CE2-CD2 4.26Å; Y53-L57 HydrophobicContact CE2-CG 4.09Å; Y53-L57 PolarHBondContact O-N 3.41Å; Y53-F102 AromaticContact CD1-CE2 3.91Å; Y53-F102 HydrophobicContact CD1-CE2 3.91Å; Y53-F102 AromaticContact CD1-CZ 3.94Å; Y53-F102 HydrophobicContact CD1-CZ 3.94Å; Y53-F102 AromaticContact CE1-CE2 3.55Å; Y53-F102 HydrophobicContact CE1-CE2 3.55Å; Y53-F102 AromaticContact CE1-CZ 3.77Å; Y53-F102 HydrophobicContact CE1-CZ 3.77Å; Y53-M161 HydrophobicContact CD1-CE 3.45Å; Y53-M161 VanDerWaalsContact CD1-CE 3.45Å; Y53-M161 HydrophobicContact CD1-SD 3.81Å; Y53-M161 HydrophobicContact CD2-CE 4.38Å; Y53-M161 HydrophobicContact CE1-CE 3.99Å; Y53-M161 HydrophobicContact CG-CE 3.65Å; Y53-M161 HydrophobicContact CG-SD 3.96Å; Y53-G168 VanDerWaalsContact CE1-O 3.25Å; Y53-G168 WeakPolarHBondContact CE1-O 3.37Å; Y53-G168 PolarHBondContact OH-O 3.4Å; Y53-G168 VanDerWaalsContact OH-O 3.06Å; Y53-L169 HydrophobicContact CE1-CD2 4.33Å; Y53-F172 AromaticContact CE2-CE2 3.91Å; Y53-F172 HydrophobicContact CE2-CE2 3.91Å; Y53-F172 HydrophobicContact CE2-CZ 4.21Å; Y53-F172 AromaticContact CZ-CE2 3.98Å; Y53-F172 WeakPolarHBondContact OH-CE2 3.36Å |
| 54 | K | 96.8 | Very high | 96.7 | Very high | 42 Ų | 42 | 37.7 Ų | 37.7 | 18% | 0.183 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.1 | -44.4 | 176.9 | -74.1 | -179.6 | 59.9 | 160.9 | 0 | 112.5 | L50 L56 L57 C58 F102 Y103 | L50-K54 HydrophobicContact CD1-CD 4.19Å; L50-K54 HydrophobicContact CD1-CG 4.11Å; L50-K54 HydrophobicContact CG-CD 4.01Å; L50-K54 HydrophobicContact CG-CG 4.34Å; L50-K54 WeakPolarHBondContact O-CB 3.34Å; L50-K54 VanDerWaalsContact O-CG 3.31Å; L50-K54 WeakPolarHBondContact O-CG 3.42Å; L50-K54 PolarHBondContact O-N 3.18Å; K54-L56 VanDerWaalsContact C-N 3.34Å; K54-L57 PolarHBondContact O-N 3.4Å; K54-C58 PolarHBondContact O-N 3.41Å; K54-C58 PolarHBondContact O-SG 2.77Å; K54-C58 VanDerWaalsContact O-SG 3.37Å; K54-F102 HydrophobicContact CD-CB 3.91Å; K54-F102 HydrophobicContact CD-CD1 4.34Å; K54-F102 HydrophobicContact CD-CG 4.22Å; K54-F102 HydrophobicContact CG-CB 3.92Å; K54-F102 HydrophobicContact CG-CD1 4.28Å; K54-F102 HydrophobicContact CG-CD2 4.3Å; K54-F102 HydrophobicContact CG-CG 3.92Å; K54-F102 PolarHBondContact NZ-O 3.1Å; K54-Y103 HydrophobicContact CB-CE2 3.88Å; K54-Y103 WeakPolarHBondContact CB-OH 3.48Å; K54-Y103 HydrophobicContact CD-CE2 4.34Å; K54-Y103 VanDerWaalsContact CE-CE1 3.42Å; K54-Y103 HydrophobicContact CG-CE2 4.17Å |
| 55 | L | 97 | Very high | 96.9 | Very high | 25 Ų | 25 | 36 Ų | 36 | 13% | 0.131 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.5 | -34.8 | 175.9 | -69.3 | 177.1 | 0 | 0 | 0 | 112.6 | P51 Q52 Y53 C58 S59 L222 M225 L226 | P51-L55 WeakPolarHBondContact O-CG 3.08Å; P51-L55 PolarHBondContact O-N 3.2Å; P51-L55 VanDerWaalsContact O-N 3.12Å; Q52-L55 PolarHBondContact O-N 3.47Å; Y53-L55 PolarHBondContact O-N 2.85Å; L55-C58 PolarHBondContact O-N 3.08Å; L55-S59 PolarHBondContact O-N 2.91Å; L55-S59 VanDerWaalsContact O-N 3.07Å; L55-S59 PolarHBondContact O-OG 2.94Å; L55-L222 HydrophobicContact CB-CD2 3.63Å; L55-L222 WeakPolarHBondContact O-CD2 3.25Å; L55-M225 HydrophobicContact CD2-CE 4.35Å; L55-L226 HydrophobicContact CD1-CD1 4.38Å; L55-L226 HydrophobicContact CD1-CD2 3.66Å; L55-L226 HydrophobicContact CD1-CG 3.76Å |
| 56 | L | 97.8 | Very high | 97.1 | Very high | 11 Ų | 11 | 28.3 Ų | 28.3 | 6% | 0.058 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.7 | -49.3 | 171.6 | 176.5 | 63.4 | 0 | 0 | 0 | 110.3 | L39 F43 Q52 Y53 K54 C58 S59 L60 F219 L222 | L39-L56 HydrophobicContact CD2-CD1 4.43Å; F43-L56 HydrophobicContact CE2-CD2 3.8Å; F43-L56 HydrophobicContact CZ-CD2 3.7Å; Q52-L56 WeakPolarHBondContact O-CB 3.26Å; Q52-L56 PolarHBondContact O-N 3.45Å; Y53-L56 HydrophobicContact CD2-CD2 4.46Å; Y53-L56 WeakPolarHBondContact O-CB 3.49Å; Y53-L56 PolarHBondContact O-N 2.97Å; K54-L56 VanDerWaalsContact C-N 3.34Å; L56-C58 VanDerWaalsContact C-N 3.32Å; L56-C58 PolarHBondContact O-N 3.34Å; L56-S59 PolarHBondContact O-N 3.03Å; L56-L60 HydrophobicContact CD1-CD1 4.27Å; L56-L60 HydrophobicContact CD1-CD2 4.29Å; L56-L60 HydrophobicContact CD1-CG 4.05Å; L56-L60 HydrophobicContact CG-CD1 4Å; L56-L60 HydrophobicContact CG-CG 4.2Å; L56-L60 WeakPolarHBondContact O-CG 3.46Å; L56-L60 PolarHBondContact O-N 3.18Å; L56-F219 HydrophobicContact CD1-CD1 4.36Å; L56-F219 HydrophobicContact CD1-CE1 3.94Å; L56-L222 HydrophobicContact CB-CD1 4.33Å; L56-L222 HydrophobicContact CD1-CD1 4Å |
| 57 | L | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.6 | -42.5 | 177 | -74.1 | 173.9 | 0 | 0 | 0 | 112.5 | Y53 K54 S59 L60 Y61 D98 L99 F102 F171 | Y53-L57 HydrophobicContact CD1-CD1 4.11Å; Y53-L57 HydrophobicContact CE1-CD1 3.65Å; Y53-L57 HydrophobicContact CE1-CG 4.25Å; Y53-L57 HydrophobicContact CE2-CD1 4.39Å; Y53-L57 HydrophobicContact CE2-CD2 4.26Å; Y53-L57 HydrophobicContact CE2-CG 4.09Å; Y53-L57 PolarHBondContact O-N 3.41Å; K54-L57 PolarHBondContact O-N 3.4Å; L57-S59 VanDerWaalsContact C-N 3.3Å; L57-S59 PolarHBondContact O-N 3.22Å; L57-L60 PolarHBondContact O-N 2.81Å; L57-Y61 WeakPolarHBondContact O-CB 3.44Å; L57-Y61 PolarHBondContact O-N 2.72Å; L57-D98 HydrophobicContact CD1-CB 3.89Å; L57-D98 HydrophobicContact CD2-CB 4.3Å; L57-L99 HydrophobicContact CB-CD2 3.85Å; L57-L99 HydrophobicContact CB-CG 4.41Å; L57-F102 HydrophobicContact CD1-CD2 3.64Å; L57-F102 HydrophobicContact CD1-CE2 3.61Å; L57-F171 HydrophobicContact CD2-CB 4.44Å |
| 58 | C | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.007 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.5 | -43.5 | 173.9 | -69.3 | 0 | 0 | 0 | 0 | 111.9 | K54 L55 L56 Y61 E62 I111 V113 | K54-C58 PolarHBondContact O-N 3.41Å; K54-C58 PolarHBondContact O-SG 2.77Å; K54-C58 VanDerWaalsContact O-SG 3.37Å; L55-C58 PolarHBondContact O-N 3.08Å; L56-C58 VanDerWaalsContact C-N 3.32Å; L56-C58 PolarHBondContact O-N 3.34Å; C58-Y61 PolarHBondContact O-N 3.41Å; C58-E62 PolarHBondContact O-N 2.92Å; C58-I111 HydrophobicContact CB-CG2 4.15Å; C58-V113 HydrophobicContact CB-CG1 3.96Å; C58-V113 WeakPolarHBondContact O-CG1 3.21Å |
| 59 | S | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -70.9 | -39.8 | 178.7 | -66.5 | 0 | 0 | 0 | 0 | 112.8 | L55 L56 L57 Y61 E62 I63 P114 T117 | L55-S59 PolarHBondContact O-N 2.91Å; L55-S59 VanDerWaalsContact O-N 3.07Å; L55-S59 PolarHBondContact O-OG 2.94Å; L56-S59 PolarHBondContact O-N 3.03Å; L57-S59 VanDerWaalsContact C-N 3.3Å; L57-S59 PolarHBondContact O-N 3.22Å; S59-Y61 VanDerWaalsContact C-N 3.32Å; S59-Y61 PolarHBondContact O-N 3.18Å; S59-E62 PolarHBondContact O-N 3.31Å; S59-I63 WeakPolarHBondContact O-CD1 3.21Å; S59-I63 VanDerWaalsContact O-CG1 3.25Å; S59-I63 WeakPolarHBondContact O-CG1 3.36Å; S59-I63 PolarHBondContact O-N 2.86Å; S59-I63 VanDerWaalsContact O-N 3.11Å; S59-P114 WeakPolarHBondContact OG-CD 3.45Å; S59-T117 WeakPolarHBondContact CB-OG1 3.48Å; S59-T117 WeakPolarHBondContact O-CG2 3.44Å; S59-T117 PolarHBondContact OG-OG1 2.95Å |
| 60 | L | 98.8 | Very high | 97.9 | Very high | 8 Ų | 8 | 22 Ų | 22 | 4% | 0.042 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.6 | -42.4 | 174.6 | -65.6 | 178.9 | 0 | 0 | 0 | 110.5 | L56 L57 E62 I63 Y64 I95 F171 | L56-L60 HydrophobicContact CD1-CD1 4.27Å; L56-L60 HydrophobicContact CD1-CD2 4.29Å; L56-L60 HydrophobicContact CD1-CG 4.05Å; L56-L60 HydrophobicContact CG-CD1 4Å; L56-L60 HydrophobicContact CG-CG 4.2Å; L56-L60 WeakPolarHBondContact O-CG 3.46Å; L56-L60 PolarHBondContact O-N 3.18Å; L57-L60 PolarHBondContact O-N 2.81Å; L60-E62 PolarHBondContact O-N 3.45Å; L60-I63 PolarHBondContact O-N 3.14Å; L60-Y64 HydrophobicContact CB-CD2 4.23Å; L60-Y64 HydrophobicContact CB-CE2 4.45Å; L60-Y64 HydrophobicContact CD2-CE2 4.13Å; L60-Y64 VanDerWaalsContact O-CD2 3.29Å; L60-Y64 WeakPolarHBondContact O-CD2 3.36Å; L60-Y64 PolarHBondContact O-N 2.93Å; L60-I95 HydrophobicContact CB-CD1 4.11Å; L60-F171 HydrophobicContact CD1-CD1 4.26Å; L60-F171 HydrophobicContact CD1-CE1 3.89Å; L60-F171 HydrophobicContact CD1-CE2 4.22Å; L60-F171 HydrophobicContact CD1-CZ 3.87Å |
| 61 | Y | 98.9 | Very high | 98.1 | Very high | 16 Ų | 16 | 18.7 Ų | 18.7 | 6% | 0.063 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -54.7 | -50.6 | 176.9 | 176.3 | -109.3 | 0 | 0 | 0 | 112.3 | L57 C58 S59 I63 R65 I92 I95 E96 L99 W107 I111 | L57-Y61 WeakPolarHBondContact O-CB 3.44Å; L57-Y61 PolarHBondContact O-N 2.72Å; C58-Y61 PolarHBondContact O-N 3.41Å; S59-Y61 VanDerWaalsContact C-N 3.32Å; S59-Y61 PolarHBondContact O-N 3.18Å; Y61-I63 VanDerWaalsContact C-N 3.34Å; Y61-I63 PolarHBondContact O-N 3.27Å; Y61-R65 WeakPolarHBondContact O-CB 3.28Å; Y61-R65 PolarHBondContact O-N 3.07Å; Y61-I92 HydrophobicContact CE2-CG2 4.23Å; Y61-I95 HydrophobicContact CD2-CG2 4.27Å; Y61-I95 HydrophobicContact CG-CG2 4.45Å; Y61-E96 HydrophobicContact CD2-CG 4.19Å; Y61-E96 HydrophobicContact CE2-CG 3.68Å; Y61-L99 HydrophobicContact CD1-CD1 4.49Å; Y61-L99 HydrophobicContact CD2-CD1 4.29Å; Y61-L99 HydrophobicContact CG-CD1 3.93Å; Y61-W107 HydrophobicContact CD1-CH2 4.42Å; Y61-W107 HydrophobicContact CD1-CZ3 4.02Å; Y61-W107 HydrophobicContact CD2-CH2 4.11Å; Y61-W107 HydrophobicContact CD2-CZ3 4.3Å; Y61-W107 AromaticContact CE1-CH2 3.89Å; Y61-W107 HydrophobicContact CE1-CH2 3.89Å; Y61-W107 AromaticContact CE1-CZ3 3.78Å; Y61-W107 HydrophobicContact CE1-CZ3 3.78Å; Y61-W107 AromaticContact CE2-CH2 3.6Å; Y61-W107 HydrophobicContact CE2-CH2 3.6Å; Y61-W107 HydrophobicContact CE2-CZ3 4.14Å; Y61-W107 HydrophobicContact CG-CH2 4.49Å; Y61-W107 HydrophobicContact CG-CZ3 4.25Å; Y61-W107 AromaticContact CZ-CH2 3.47Å; Y61-W107 VanDerWaalsContact CZ-CH2 3.47Å; Y61-W107 AromaticContact CZ-CZ3 3.87Å; Y61-I111 HydrophobicContact CD1-CD1 3.63Å; Y61-I111 HydrophobicContact CE1-CD1 3.66Å |
| 62 | E | 98.8 | Very high | 98.3 | Very high | 31 Ų | 31 | 19.1 Ų | 19.1 | 15% | 0.145 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.5 | -40.5 | 179.2 | -71.1 | -63.2 | 142.3 | 0 | 0 | 112.7 | C58 S59 L60 R65 A66 I111 V113 T117 S121 | C58-E62 PolarHBondContact O-N 2.92Å; S59-E62 PolarHBondContact O-N 3.31Å; L60-E62 PolarHBondContact O-N 3.45Å; E62-R65 IonicContact OE1-CZ 3.42Å; E62-R65 IonicContact OE1-NH1 3.23Å; E62-R65 PolarHBondContact OE1-NH1 3.41Å; E62-R65 IonicContact OE1-NH2 3.24Å; E62-R65 PolarHBondContact OE1-NH2 2.84Å; E62-R65 IonicContact OE2-CZ 3.57Å; E62-R65 VanDerWaalsContact OE2-CZ 3.24Å; E62-R65 IonicContact OE2-NH1 2.98Å; E62-R65 PolarHBondContact OE2-NH1 3.14Å; E62-R65 IonicContact OE2-NH2 2.74Å; E62-R65 PolarHBondContact OE2-NH2 3.36Å; E62-A66 PolarHBondContact O-N 3.42Å; E62-A66 VanDerWaalsContact O-N 3.12Å; E62-I111 HydrophobicContact CG-CG2 4.44Å; E62-V113 HydrophobicContact CG-CG1 4.02Å; E62-V113 HydrophobicContact CG-CG2 4.43Å; E62-T117 HydrophobicContact CB-CG2 3.75Å; E62-T117 HydrophobicContact CG-CG2 4.47Å; E62-S121 PolarHBondContact O-OG 2.73Å |
| 63 | I | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -69.7 | -50.4 | -179.6 | -67.5 | 162.5 | 0 | 0 | 0 | 111.3 | S59 L60 Y61 R65 A66 L67 T117 Y120 L124 V218 | S59-I63 WeakPolarHBondContact O-CD1 3.21Å; S59-I63 VanDerWaalsContact O-CG1 3.25Å; S59-I63 WeakPolarHBondContact O-CG1 3.36Å; S59-I63 PolarHBondContact O-N 2.86Å; S59-I63 VanDerWaalsContact O-N 3.11Å; L60-I63 PolarHBondContact O-N 3.14Å; Y61-I63 VanDerWaalsContact C-N 3.34Å; Y61-I63 PolarHBondContact O-N 3.27Å; I63-R65 VanDerWaalsContact C-N 3.31Å; I63-R65 PolarHBondContact O-N 3.46Å; I63-A66 PolarHBondContact O-N 3.17Å; I63-L67 WeakPolarHBondContact O-CB 3.33Å; I63-L67 PolarHBondContact O-N 3.03Å; I63-T117 HydrophobicContact CD1-CG2 4.22Å; I63-T117 HydrophobicContact CG1-CG2 4.01Å; I63-Y120 HydrophobicContact CD1-CD1 3.69Å; I63-Y120 HydrophobicContact CD1-CE1 4.29Å; I63-Y120 HydrophobicContact CD1-CG 4.46Å; I63-Y120 HydrophobicContact CG1-CD1 3.95Å; I63-Y120 HydrophobicContact CG1-CG 4.27Å; I63-Y120 HydrophobicContact CG2-CD1 4.16Å; I63-Y120 HydrophobicContact CG2-CE1 4.09Å; I63-L124 HydrophobicContact CG2-CD1 4.07Å; I63-L124 WeakPolarHBondContact O-CD1 3.37Å; I63-V218 HydrophobicContact CD1-CG1 4.44Å; I63-V218 HydrophobicContact CD1-CG2 4.17Å |
| 64 | Y | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -68.3 | -32.6 | 178.9 | -80.6 | -88.4 | 0 | 0 | 0 | 111.6 | L60 L67 E68 R91 I95 R142 Y143 D146 F171 | L60-Y64 HydrophobicContact CB-CD2 4.23Å; L60-Y64 HydrophobicContact CB-CE2 4.45Å; L60-Y64 HydrophobicContact CD2-CE2 4.13Å; L60-Y64 VanDerWaalsContact O-CD2 3.29Å; L60-Y64 WeakPolarHBondContact O-CD2 3.36Å; L60-Y64 PolarHBondContact O-N 2.93Å; Y64-L67 HydrophobicContact CD1-CD2 4.44Å; Y64-L67 PolarHBondContact O-N 3.31Å; Y64-E68 WeakPolarHBondContact CD1-OE1 3.39Å; Y64-E68 VanDerWaalsContact O-CB 3.26Å; Y64-E68 WeakPolarHBondContact O-CB 3.38Å; Y64-E68 WeakPolarHBondContact O-CG 3.33Å; Y64-E68 PolarHBondContact O-N 2.82Å; Y64-R91 HydrophobicContact CD1-CB 3.6Å; Y64-R91 HydrophobicContact CD1-CG 3.6Å; Y64-R91 HydrophobicContact CD2-CB 4.48Å; Y64-R91 HydrophobicContact CE1-CB 3.94Å; Y64-R91 HydrophobicContact CE1-CG 3.38Å; Y64-R91 HydrophobicContact CG-CB 3.9Å; Y64-R91 HydrophobicContact CG-CG 4.29Å; Y64-I95 HydrophobicContact CD2-CD1 3.8Å; Y64-I95 HydrophobicContact CG-CD1 4.05Å; Y64-R142 HydrophobicContact CE1-CB 4.33Å; Y64-R142 PolarHBondContact OH-NE 3Å; Y64-R142 PolarHBondContact OH-NH2 3.38Å; Y64-Y143 HydrophobicContact CD1-CE1 4.05Å; Y64-Y143 HydrophobicContact CE1-CD1 4.01Å; Y64-Y143 AromaticContact CE1-CE1 3.59Å; Y64-Y143 HydrophobicContact CE1-CE1 3.59Å; Y64-D146 PolarHBondContact OH-OD1 3.03Å; Y64-D146 PolarHBondContact OH-OD2 3.34Å; Y64-F171 HydrophobicContact CD2-CE2 4.33Å; Y64-F171 AromaticContact CE2-CE2 3.73Å; Y64-F171 HydrophobicContact CE2-CE2 3.73Å; Y64-F171 HydrophobicContact CE2-CZ 4.12Å; Y64-F171 AromaticContact CZ-CE2 3.91Å |
| 65 | R | 98.8 | Very high | 98.7 | Very high | 64 Ų | 64 | 26.1 Ų | 26.1 | 24% | 0.242 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.5 | -52.2 | 171.3 | -170.4 | 178 | 77 | -137.5 | 0.1 | 110.7 | Y61 E62 I63 E69 I92 | Y61-R65 WeakPolarHBondContact O-CB 3.28Å; Y61-R65 PolarHBondContact O-N 3.07Å; E62-R65 IonicContact OE1-CZ 3.42Å; E62-R65 IonicContact OE1-NH1 3.23Å; E62-R65 PolarHBondContact OE1-NH1 3.41Å; E62-R65 IonicContact OE1-NH2 3.24Å; E62-R65 PolarHBondContact OE1-NH2 2.84Å; E62-R65 IonicContact OE2-CZ 3.57Å; E62-R65 VanDerWaalsContact OE2-CZ 3.24Å; E62-R65 IonicContact OE2-NH1 2.98Å; E62-R65 PolarHBondContact OE2-NH1 3.14Å; E62-R65 IonicContact OE2-NH2 2.74Å; E62-R65 PolarHBondContact OE2-NH2 3.36Å; I63-R65 VanDerWaalsContact C-N 3.31Å; I63-R65 PolarHBondContact O-N 3.46Å; R65-E69 HydrophobicContact CG-CG 4.41Å; R65-E69 VanDerWaalsContact CG-OE1 3.28Å; R65-E69 WeakPolarHBondContact CG-OE1 3.47Å; R65-E69 IonicContact NE-OE1 3.34Å; R65-E69 WeakPolarHBondContact O-CB 3.35Å; R65-E69 WeakPolarHBondContact O-CG 3.23Å; R65-E69 PolarHBondContact O-N 2.89Å; R65-I92 HydrophobicContact CB-CD1 4.48Å |
| 66 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65 | -40.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E62 I63 E70 L124 R125 | E62-A66 PolarHBondContact O-N 3.42Å; E62-A66 VanDerWaalsContact O-N 3.12Å; I63-A66 PolarHBondContact O-N 3.17Å; A66-E70 WeakPolarHBondContact O-CG 3.48Å; A66-E70 PolarHBondContact O-N 3.2Å; A66-L124 HydrophobicContact CB-CB 4.1Å; A66-L124 HydrophobicContact CB-CD1 4.08Å; A66-R125 HydrophobicContact CB-CG 4.31Å |
| 67 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.3 | -51.9 | 178.8 | 176.6 | 61.2 | 0 | 0 | 0 | 110.9 | I63 Y64 E70 M71 L124 H138 R142 Y143 | I63-L67 WeakPolarHBondContact O-CB 3.33Å; I63-L67 PolarHBondContact O-N 3.03Å; Y64-L67 HydrophobicContact CD1-CD2 4.44Å; Y64-L67 PolarHBondContact O-N 3.31Å; L67-E70 PolarHBondContact O-N 3.47Å; L67-M71 HydrophobicContact CD1-CG 4.01Å; L67-M71 HydrophobicContact CD1-SD 4.48Å; L67-M71 HydrophobicContact CG-CG 4.26Å; L67-M71 WeakPolarHBondContact O-CB 3.23Å; L67-M71 WeakPolarHBondContact O-CG 3.41Å; L67-M71 PolarHBondContact O-N 3.48Å; L67-L124 HydrophobicContact CB-CD1 4.01Å; L67-L124 HydrophobicContact CD1-CD2 4.02Å; L67-H138 HydrophobicContact CD1-CB 4.16Å; L67-R142 HydrophobicContact CD2-CB 4.32Å; L67-R142 HydrophobicContact CD2-CG 4.34Å; L67-Y143 HydrophobicContact CD2-CE2 4.12Å |
| 68 | E | 98.9 | Very high | 98.8 | Very high | 12 Ų | 12 | 39.3 Ų | 39.3 | 6% | 0.056 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.7 | -36 | -176 | -69.6 | 170.5 | -159.8 | 0 | 0 | 111.6 | Y64 E70 M71 D72 A90 R91 I92 Y143 | Y64-E68 WeakPolarHBondContact CD1-OE1 3.39Å; Y64-E68 VanDerWaalsContact O-CB 3.26Å; Y64-E68 WeakPolarHBondContact O-CB 3.38Å; Y64-E68 WeakPolarHBondContact O-CG 3.33Å; Y64-E68 PolarHBondContact O-N 2.82Å; E68-E70 VanDerWaalsContact C-N 3.27Å; E68-E70 PolarHBondContact O-N 3.25Å; E68-M71 PolarHBondContact O-N 3.26Å; E68-D72 WeakPolarHBondContact O-CB 3.49Å; E68-D72 VanDerWaalsContact O-CG 3.25Å; E68-D72 PolarHBondContact O-N 2.93Å; E68-A90 WeakPolarHBondContact OE1-CA 3.24Å; E68-R91 PolarHBondContact OE1-N 3.33Å; E68-R91 PolarHBondContact OE2-N 2.75Å; E68-I92 HydrophobicContact CB-CD1 3.76Å; E68-I92 HydrophobicContact CB-CG1 4.49Å; E68-I92 HydrophobicContact CG-CD1 4.4Å; E68-I92 VanDerWaalsContact OE2-CD1 3.25Å; E68-I92 WeakPolarHBondContact OE2-CD1 3.44Å; E68-I92 WeakPolarHBondContact OE2-CG1 3.47Å; E68-I92 PolarHBondContact OE2-N 3.23Å; E68-Y143 WeakPolarHBondContact CG-OH 3.19Å; E68-Y143 PolarHBondContact OE1-OH 2.98Å |
| 69 | E | 98.9 | Very high | 98.7 | Very high | 73 Ų | 73 | 39.4 Ų | 39.4 | 34% | 0.341 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -52.9 | -45.4 | 169.4 | -80.9 | 168 | 178.9 | 0 | 0 | 111.6 | R65 R73 R125 | R65-E69 HydrophobicContact CG-CG 4.41Å; R65-E69 VanDerWaalsContact CG-OE1 3.28Å; R65-E69 WeakPolarHBondContact CG-OE1 3.47Å; R65-E69 IonicContact NE-OE1 3.34Å; R65-E69 WeakPolarHBondContact O-CB 3.35Å; R65-E69 WeakPolarHBondContact O-CG 3.23Å; R65-E69 PolarHBondContact O-N 2.89Å; E69-R73 WeakPolarHBondContact O-CB 3.39Å; E69-R73 PolarHBondContact O-N 3.47Å; E69-R125 IonicContact OE2-CZ 3.48Å; E69-R125 IonicContact OE2-NE 3.83Å; E69-R125 PolarHBondContact OE2-NE 2.65Å; E69-R125 IonicContact OE2-NH2 3.96Å; E69-R125 PolarHBondContact OE2-NH2 3.34Å |
| 70 | E | 98.9 | Very high | 98.7 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 2% | 0.023 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -83.3 | -28.4 | -177.4 | -65.4 | -55.4 | 135.2 | 0 | 0 | 113.5 | A66 L67 E68 R73 N74 R125 G128 L135 | A66-E70 WeakPolarHBondContact O-CG 3.48Å; A66-E70 PolarHBondContact O-N 3.2Å; L67-E70 PolarHBondContact O-N 3.47Å; E68-E70 VanDerWaalsContact C-N 3.27Å; E68-E70 PolarHBondContact O-N 3.25Å; E70-R73 IonicContact OE1-CZ 3.54Å; E70-R73 IonicContact OE1-NE 3.1Å; E70-R73 PolarHBondContact OE1-NE 2.88Å; E70-R73 VanDerWaalsContact OE1-NE 3.1Å; E70-R73 IonicContact OE1-NH2 3.06Å; E70-R73 PolarHBondContact OE1-NH2 3.03Å; E70-R73 WeakPolarHBondContact OE2-CD 3.44Å; E70-R73 IonicContact OE2-NE 2.96Å; E70-R73 PolarHBondContact OE2-NE 2.85Å; E70-N74 WeakPolarHBondContact O-CB 3.22Å; E70-N74 PolarHBondContact O-N 3.22Å; E70-N74 PolarHBondContact O-ND2 3.31Å; E70-R125 HydrophobicContact CG-CG 4.3Å; E70-G128 WeakPolarHBondContact OE2-CA 3.47Å; E70-L135 HydrophobicContact CB-CD1 4.25Å; E70-L135 HydrophobicContact CB-CD2 3.97Å |
| 71 | M | 98.8 | Very high | 98.7 | Very high | 6 Ų | 6 | 41.2 Ų | 41.2 | 3% | 0.03 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.4 | -42.4 | 168.6 | -70 | -66.7 | -66.4 | 0 | 0 | 110.8 | L67 E68 N74 S75 V80 I83 Y84 L135 A139 | L67-M71 HydrophobicContact CD1-CG 4.01Å; L67-M71 HydrophobicContact CD1-SD 4.48Å; L67-M71 HydrophobicContact CG-CG 4.26Å; L67-M71 WeakPolarHBondContact O-CB 3.23Å; L67-M71 WeakPolarHBondContact O-CG 3.41Å; L67-M71 PolarHBondContact O-N 3.48Å; E68-M71 PolarHBondContact O-N 3.26Å; M71-N74 CarbonylContact O-C 3.46Å; M71-N74 PolarHBondContact O-N 3.12Å; M71-S75 WeakPolarHBondContact O-CA 3.38Å; M71-S75 PolarHBondContact O-N 3.48Å; M71-V80 HydrophobicContact CE-CG1 3.72Å; M71-V80 HydrophobicContact SD-CG1 3.93Å; M71-I83 HydrophobicContact CE-CD1 4.02Å; M71-I83 HydrophobicContact CE-CG1 4.2Å; M71-Y84 HydrophobicContact CB-CD2 4.3Å; M71-Y84 HydrophobicContact CB-CE2 4.3Å; M71-Y84 HydrophobicContact CE-CD2 4.4Å; M71-L135 HydrophobicContact SD-CB 3.94Å; M71-L135 HydrophobicContact SD-CD1 4.44Å; M71-A139 HydrophobicContact CE-CB 4.28Å; M71-A139 HydrophobicContact SD-CB 4.2Å |
| 72 | D | 98.8 | Very high | 98.7 | Very high | 83 Ų | 83 | 42 Ų | 42 | 44% | 0.444 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.7 | -45.8 | 175.9 | -73.8 | -11.5 | 0 | 0 | 0 | 111.1 | E68 N74 S75 Y84 | E68-D72 WeakPolarHBondContact O-CB 3.49Å; E68-D72 VanDerWaalsContact O-CG 3.25Å; E68-D72 PolarHBondContact O-N 2.93Å; D72-N74 PolarHBondContact O-N 2.93Å; D72-S75 WeakPolarHBondContact O-CB 3.19Å; D72-S75 PolarHBondContact O-N 3.48Å; D72-S75 PolarHBondContact O-OG 2.93Å; D72-Y84 VanDerWaalsContact OD1-CE2 3.28Å; D72-Y84 WeakPolarHBondContact OD1-CE2 3.28Å; D72-Y84 PolarHBondContact OD1-OH 3.32Å |
| 73 | R | 98.8 | Very high | 98.7 | Very high | 166 Ų | 166 | 40.5 Ų | 40.5 | 63% | 0.626 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -56.7 | -38.7 | 176.5 | -174.3 | -168.5 | -54.9 | -69.6 | -5 | 112 | E69 E70 | E69-R73 WeakPolarHBondContact O-CB 3.39Å; E69-R73 PolarHBondContact O-N 3.47Å; E70-R73 IonicContact OE1-CZ 3.54Å; E70-R73 IonicContact OE1-NE 3.1Å; E70-R73 PolarHBondContact OE1-NE 2.88Å; E70-R73 VanDerWaalsContact OE1-NE 3.1Å; E70-R73 IonicContact OE1-NH2 3.06Å; E70-R73 PolarHBondContact OE1-NH2 3.03Å; E70-R73 WeakPolarHBondContact OE2-CD 3.44Å; E70-R73 IonicContact OE2-NE 2.96Å; E70-R73 PolarHBondContact OE2-NE 2.85Å |
| 74 | N | 98.8 | Very high | 98.7 | Very high | 20 Ų | 20 | 43.9 Ų | 43.9 | 11% | 0.107 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 19.5 | -174.5 | -65.5 | -76.6 | 0 | 0 | 0 | 113 | E70 M71 D72 N76 H77 V80 G128 P132 L135 | E70-N74 WeakPolarHBondContact O-CB 3.22Å; E70-N74 PolarHBondContact O-N 3.22Å; E70-N74 PolarHBondContact O-ND2 3.31Å; M71-N74 CarbonylContact O-C 3.46Å; M71-N74 PolarHBondContact O-N 3.12Å; D72-N74 PolarHBondContact O-N 2.93Å; N74-N76 PolarHBondContact O-N 3.39Å; N74-H77 HydrophobicContact CB-CB 4.11Å; N74-H77 VanDerWaalsContact O-CB 3.23Å; N74-H77 WeakPolarHBondContact O-CB 3.41Å; N74-H77 PolarHBondContact O-N 2.86Å; N74-V80 HydrophobicContact CB-CB 4.46Å; N74-V80 HydrophobicContact CB-CG1 4.45Å; N74-V80 HydrophobicContact CB-CG2 4.1Å; N74-V80 WeakPolarHBondContact O-CB 3.41Å; N74-V80 WeakPolarHBondContact O-CG1 3.32Å; N74-G128 PolarHBondContact ND2-O 2.86Å; N74-G128 PolarHBondContact OD1-O 3.49Å; N74-P132 HydrophobicContact CB-CB 4.14Å; N74-P132 WeakPolarHBondContact OD1-CB 3.21Å; N74-P132 WeakPolarHBondContact OD1-CG 3.42Å; N74-L135 HydrophobicContact CB-CD1 4.05Å |
| 75 | S | 98.7 | Very high | 98.7 | Very high | 27 Ų | 27 | 45.6 Ų | 45.6 | 19% | 0.189 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -24.9 | -173.7 | 71 | 0 | 0 | 0 | 0 | 114 | M71 D72 A81 | M71-S75 WeakPolarHBondContact O-CA 3.38Å; M71-S75 PolarHBondContact O-N 3.48Å; D72-S75 WeakPolarHBondContact O-CB 3.19Å; D72-S75 PolarHBondContact O-N 3.48Å; D72-S75 PolarHBondContact O-OG 2.93Å; S75-A81 WeakPolarHBondContact O-CA 3.25Å; S75-A81 VanDerWaalsContact O-CB 3.26Å; S75-A81 WeakPolarHBondContact O-CB 3.46Å |
| 76 | N | 98.5 | Very high | 98.7 | Very high | 150 Ų | 150 | 45.1 Ų | 45.1 | 80% | 0.802 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -2.7 | 178.1 | -63 | -35.5 | 0 | 0 | 0 | 113.5 | N74 | N74-N76 PolarHBondContact O-N 3.39Š|
| 77 | H | 98.6 | Very high | 98.6 | Very high | 59 Ų | 59 | 49.2 Ų | 49.2 | 27% | 0.273 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -67.5 | 134.9 | 178 | -172.1 | -90 | 0 | 0 | 0 | 109.7 | N74 A79 V80 A81 P132 | N74-H77 HydrophobicContact CB-CB 4.11Å; N74-H77 VanDerWaalsContact O-CB 3.23Å; N74-H77 WeakPolarHBondContact O-CB 3.41Å; N74-H77 PolarHBondContact O-N 2.86Å; H77-A79 PolarHBondContact ND1-N 2.95Å; H77-A79 PolarHBondContact O-N 3.41Å; H77-A79 VanDerWaalsContact O-N 3.07Å; H77-V80 HydrophobicContact CB-CB 4.19Å; H77-V80 HydrophobicContact CB-CG2 4.14Å; H77-V80 PolarHBondContact O-N 3.14Å; H77-A81 WeakPolarHBondContact O-CB 3.39Å; H77-A81 PolarHBondContact O-N 3.42Å; H77-P132 HydrophobicContact CB-CB 4.46Å |
| 78 | P | 98.4 | Very high | 98.6 | Very high | 104 Ų | 104 | 51.8 Ų | 51.8 | 68% | 0.675 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -33.7 | -174.1 | -29 | 35.7 | 0 | 0 | 0 | 114.8 | P82 | P78-P82 WeakPolarHBondContact O-CD 3.25Å; P78-P82 WeakPolarHBondContact O-CG 3.32Å |
| 79 | A | 97.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 3% | 0.025 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -23.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | H77 E133 V136 V194 L196 | H77-A79 PolarHBondContact ND1-N 2.95Å; H77-A79 PolarHBondContact O-N 3.41Å; H77-A79 VanDerWaalsContact O-N 3.07Å; A79-E133 HydrophobicContact CB-CB 3.65Å; A79-V136 HydrophobicContact CB-CG2 4.48Å; A79-V136 VanDerWaalsContact O-CG2 3.24Å; A79-V136 WeakPolarHBondContact O-CG2 3.39Å; A79-V194 HydrophobicContact CB-CG1 3.69Å; A79-L196 HydrophobicContact CB-CD2 4.34Å |
| 80 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -40.2 | -174.3 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | M71 N74 H77 P82 I83 Y84 P132 L135 | M71-V80 HydrophobicContact CE-CG1 3.72Å; M71-V80 HydrophobicContact SD-CG1 3.93Å; N74-V80 HydrophobicContact CB-CB 4.46Å; N74-V80 HydrophobicContact CB-CG1 4.45Å; N74-V80 HydrophobicContact CB-CG2 4.1Å; N74-V80 WeakPolarHBondContact O-CB 3.41Å; N74-V80 WeakPolarHBondContact O-CG1 3.32Å; H77-V80 HydrophobicContact CB-CB 4.19Å; H77-V80 HydrophobicContact CB-CG2 4.14Å; H77-V80 PolarHBondContact O-N 3.14Å; V80-P82 VanDerWaalsContact C-N 3.31Å; V80-P82 VanDerWaalsContact O-N 3.17Å; V80-I83 WeakPolarHBondContact O-CG1 3.32Å; V80-I83 PolarHBondContact O-N 3.11Å; V80-Y84 PolarHBondContact O-N 3.14Å; V80-P132 HydrophobicContact CG2-CB 4.49Å; V80-P132 WeakPolarHBondContact CG2-O 3.28Å; V80-L135 HydrophobicContact CG2-CB 4.33Å; V80-L135 HydrophobicContact CG2-CD1 4.11Å |
| 81 | A | 98.8 | Very high | 98.6 | Very high | 46 Ų | 46 | 49.7 Ų | 49.7 | 38% | 0.38 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -50.6 | -41.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | S75 H77 I83 Y84 | S75-A81 WeakPolarHBondContact O-CA 3.25Å; S75-A81 VanDerWaalsContact O-CB 3.26Å; S75-A81 WeakPolarHBondContact O-CB 3.46Å; H77-A81 WeakPolarHBondContact O-CB 3.39Å; H77-A81 PolarHBondContact O-N 3.42Å; A81-I83 PolarHBondContact O-N 3.03Å; A81-Y84 PolarHBondContact O-N 3.48Å |
| 82 | P | 98.6 | Very high | 98.5 | Very high | 31 Ų | 31 | 51 Ų | 51 | 20% | 0.201 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -64.3 | -27.4 | 179.6 | -25.1 | 37.3 | 0 | 0 | 0 | 114.1 | P78 V80 F85 R190 V194 | P78-P82 WeakPolarHBondContact O-CD 3.25Å; P78-P82 WeakPolarHBondContact O-CG 3.32Å; V80-P82 VanDerWaalsContact C-N 3.31Å; V80-P82 VanDerWaalsContact O-N 3.17Å; P82-F85 WeakPolarHBondContact O-CE2 3.49Å; P82-R190 HydrophobicContact CB-CB 4.49Å; P82-R190 VanDerWaalsContact O-CB 3.26Å; P82-R190 WeakPolarHBondContact O-CB 3.41Å; P82-V194 HydrophobicContact CB-CG2 4.23Å; P82-V194 HydrophobicContact CG-CG2 4.07Å |
| 83 | I | 98.5 | Very high | 98.5 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -106.4 | 7.3 | -176 | 62.7 | 155.2 | 0 | 0 | 0 | 113.3 | M71 V80 A81 F85 V136 A139 Y187 R190 M191 | M71-I83 HydrophobicContact CE-CD1 4.02Å; M71-I83 HydrophobicContact CE-CG1 4.2Å; V80-I83 WeakPolarHBondContact O-CG1 3.32Å; V80-I83 PolarHBondContact O-N 3.11Å; A81-I83 PolarHBondContact O-N 3.03Å; I83-F85 VanDerWaalsContact O-CD2 3.31Å; I83-F85 WeakPolarHBondContact O-CD2 3.14Å; I83-F85 PolarHBondContact O-N 3.23Å; I83-V136 HydrophobicContact CD1-CB 4.11Å; I83-V136 HydrophobicContact CD1-CG1 4.26Å; I83-V136 HydrophobicContact CD1-CG2 3.77Å; I83-V136 HydrophobicContact CG1-CG2 4.49Å; I83-A139 HydrophobicContact CD1-CB 4.04Å; I83-Y187 HydrophobicContact CB-CE1 4.43Å; I83-Y187 HydrophobicContact CB-CE2 4.09Å; I83-Y187 WeakPolarHBondContact CD1-OH 3.39Å; I83-Y187 HydrophobicContact CG2-CE1 4.25Å; I83-R190 HydrophobicContact CG2-CB 4.42Å; I83-M191 HydrophobicContact CG2-CB 4.01Å |
| 84 | Y | 98.8 | Very high | 98.5 | Very high | 72 Ų | 72 | 48.9 Ų | 48.9 | 28% | 0.282 | 28% | 0.28 | S | S | . | . | trans | -83.2 | 95.6 | -176.9 | -175.1 | -113.7 | 0 | 0 | 0 | 111.4 | M71 D72 V80 A81 P86 | M71-Y84 HydrophobicContact CB-CD2 4.3Å; M71-Y84 HydrophobicContact CB-CE2 4.3Å; M71-Y84 HydrophobicContact CE-CD2 4.4Å; D72-Y84 VanDerWaalsContact OD1-CE2 3.28Å; D72-Y84 WeakPolarHBondContact OD1-CE2 3.28Å; D72-Y84 PolarHBondContact OD1-OH 3.32Å; V80-Y84 PolarHBondContact O-N 3.14Å; A81-Y84 PolarHBondContact O-N 3.48Å; Y84-P86 VanDerWaalsContact C-CD 3.44Å; Y84-P86 HydrophobicContact CD1-CG 4.24Å; Y84-P86 HydrophobicContact CE1-CG 3.67Å; Y84-P86 HydrophobicContact CE2-CB 4.35Å; Y84-P86 HydrophobicContact CE2-CG 4.24Å; Y84-P86 WeakPolarHBondContact O-CD 3.34Å | ||
| 85 | F | 98.6 | Very high | 98.5 | Very high | 35 Ų | 35 | 48 Ų | 48 | 15% | 0.154 | 28% | 0.275 | C | S | . | . | trans | -121.5 | 64.5 | -178.3 | -65.2 | -78.2 | 0 | 0 | 0 | 112.2 | P82 I83 A87 E88 L89 F183 Y187 R190 | P82-F85 WeakPolarHBondContact O-CE2 3.49Å; I83-F85 VanDerWaalsContact O-CD2 3.31Å; I83-F85 WeakPolarHBondContact O-CD2 3.14Å; I83-F85 PolarHBondContact O-N 3.23Å; F85-A87 VanDerWaalsContact C-N 3.34Å; F85-A87 PolarHBondContact O-N 3.4Å; F85-E88 HydrophobicContact CB-CB 4.41Å; F85-E88 WeakPolarHBondContact CB-OE2 3.48Å; F85-E88 PolarHBondContact O-N 2.95Å; F85-L89 HydrophobicContact CB-CD1 4Å; F85-L89 HydrophobicContact CB-CG 4.1Å; F85-L89 VanDerWaalsContact O-CB 3.32Å; F85-L89 WeakPolarHBondContact O-CB 3.41Å; F85-L89 PolarHBondContact O-N 3.43Å; F85-F183 HydrophobicContact CB-CZ 3.93Å; F85-F183 HydrophobicContact CD1-CE2 4.46Å; F85-F183 HydrophobicContact CD1-CZ 4.13Å; F85-F183 HydrophobicContact CD2-CZ 4.26Å; F85-F183 AromaticContact CG-CZ 3.85Å; F85-F183 HydrophobicContact CG-CZ 3.85Å; F85-Y187 AromaticContact CD2-CD2 3.94Å; F85-Y187 HydrophobicContact CD2-CD2 3.94Å; F85-Y187 HydrophobicContact CD2-CE2 4.16Å; F85-Y187 HydrophobicContact CE2-CD2 4.23Å; F85-R190 HydrophobicContact CE2-CG 4.25Å; F85-R190 HydrophobicContact CZ-CG 3.98Å | ||
| 86 | P | 98.3 | Very high | 98.5 | Very high | 55 Ų | 55 | 48.8 Ų | 48.8 | 36% | 0.357 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.5 | -33.8 | -173.2 | 27.2 | -36.5 | 0 | 0 | 0 | 113 | Y84 E88 A90 | Y84-P86 VanDerWaalsContact C-CD 3.44Å; Y84-P86 HydrophobicContact CD1-CG 4.24Å; Y84-P86 HydrophobicContact CE1-CG 3.67Å; Y84-P86 HydrophobicContact CE2-CB 4.35Å; Y84-P86 HydrophobicContact CE2-CG 4.24Å; Y84-P86 WeakPolarHBondContact O-CD 3.34Å; P86-E88 VanDerWaalsContact C-N 3.3Å; P86-E88 PolarHBondContact O-N 3.43Å; P86-A90 WeakPolarHBondContact O-CB 3.1Å; P86-A90 PolarHBondContact O-N 2.86Å; P86-A90 VanDerWaalsContact O-N 3.13Å |
| 87 | A | 98.1 | Very high | 98.5 | Very high | 86 Ų | 86 | 47.8 Ų | 47.8 | 71% | 0.711 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -67.2 | -33.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F85 | F85-A87 VanDerWaalsContact C-N 3.34Å; F85-A87 PolarHBondContact O-N 3.4Å |
| 88 | E | 98.6 | Very high | 98.4 | Very high | 53 Ų | 53 | 45 Ų | 45 | 25% | 0.248 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -92.1 | -39.6 | -176.8 | -59.7 | 91.8 | 157.3 | 0 | 0 | 112.3 | F85 P86 R91 F174 G176 V177 F183 | F85-E88 HydrophobicContact CB-CB 4.41Å; F85-E88 WeakPolarHBondContact CB-OE2 3.48Å; F85-E88 PolarHBondContact O-N 2.95Å; P86-E88 VanDerWaalsContact C-N 3.3Å; P86-E88 PolarHBondContact O-N 3.43Å; E88-R91 PolarHBondContact O-NH2 3.25Å; E88-R91 VanDerWaalsContact O-NH2 3.08Å; E88-F174 WeakPolarHBondContact O-CD1 3.4Å; E88-G176 WeakPolarHBondContact CG-O 3.39Å; E88-V177 HydrophobicContact CB-CG2 3.85Å; E88-F183 HydrophobicContact CB-CE2 3.7Å; E88-F183 HydrophobicContact CB-CZ 3.65Å; E88-F183 HydrophobicContact CG-CE2 3.67Å; E88-F183 HydrophobicContact CG-CZ 4.09Å |
| 89 | L | 98.6 | Very high | 98.5 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -109.4 | -20.5 | -166.5 | -63.9 | -177.8 | 0 | 0 | 0 | 115.5 | F85 R91 Y143 L147 F174 F183 Y187 | F85-L89 HydrophobicContact CB-CD1 4Å; F85-L89 HydrophobicContact CB-CG 4.1Å; F85-L89 VanDerWaalsContact O-CB 3.32Å; F85-L89 WeakPolarHBondContact O-CB 3.41Å; F85-L89 PolarHBondContact O-N 3.43Å; L89-R91 WeakPolarHBondContact O-CG 3.27Å; L89-R91 PolarHBondContact O-N 3.22Å; L89-R91 PolarHBondContact O-NE 2.82Å; L89-R91 PolarHBondContact O-NH2 2.92Å; L89-Y143 HydrophobicContact CB-CD1 3.86Å; L89-Y143 HydrophobicContact CB-CD2 4.45Å; L89-Y143 HydrophobicContact CB-CE1 3.93Å; L89-Y143 HydrophobicContact CB-CG 4.14Å; L89-Y143 HydrophobicContact CD1-CD1 4.42Å; L89-Y143 HydrophobicContact CD1-CD2 3.87Å; L89-Y143 HydrophobicContact CD1-CE2 4.46Å; L89-Y143 HydrophobicContact CD1-CG 3.85Å; L89-Y143 HydrophobicContact CD2-CD1 4.47Å; L89-Y143 HydrophobicContact CD2-CG 4.41Å; L89-Y143 HydrophobicContact CG-CG 4.39Å; L89-Y143 VanDerWaalsContact O-CE1 3.23Å; L89-Y143 WeakPolarHBondContact O-CE1 3.49Å; L89-L147 HydrophobicContact CD2-CD1 3.85Å; L89-F174 HydrophobicContact CD2-CD1 4.3Å; L89-F174 HydrophobicContact CD2-CE1 4.12Å; L89-F183 HydrophobicContact CD1-CE1 3.93Å; L89-F183 HydrophobicContact CD1-CZ 4.37Å; L89-F183 HydrophobicContact CD2-CD1 4.29Å; L89-F183 HydrophobicContact CD2-CE1 3.62Å; L89-F183 HydrophobicContact CD2-CZ 4.26Å; L89-F183 HydrophobicContact CG-CE1 3.81Å; L89-F183 HydrophobicContact CG-CZ 4.08Å; L89-Y187 HydrophobicContact CD1-CD2 3.82Å; L89-Y187 HydrophobicContact CD1-CE2 3.51Å |
| 90 | A | 98.4 | Very high | 98.5 | Very high | 37 Ų | 37 | 44.8 Ų | 44.8 | 31% | 0.306 | 24% | 0.241 | S | C | . | . | trans | -58.6 | 134 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | E68 P86 | E68-A90 WeakPolarHBondContact OE1-CA 3.24Å; P86-A90 WeakPolarHBondContact O-CB 3.1Å; P86-A90 PolarHBondContact O-N 2.86Å; P86-A90 VanDerWaalsContact O-N 3.13Å | ||
| 91 | R | 98.7 | Very high | 98.4 | Very high | 6 Ų | 6 | 49.8 Ų | 49.8 | 2% | 0.023 | 26% | 0.261 | C | S | . | . | trans | -112.4 | -21.7 | -172.4 | -62.7 | -58.4 | 84.5 | -178.5 | 3 | 113 | Y64 E68 E88 L89 K93 S94 I95 Y143 F171 A173 F174 | Y64-R91 HydrophobicContact CD1-CB 3.6Å; Y64-R91 HydrophobicContact CD1-CG 3.6Å; Y64-R91 HydrophobicContact CD2-CB 4.48Å; Y64-R91 HydrophobicContact CE1-CB 3.94Å; Y64-R91 HydrophobicContact CE1-CG 3.38Å; Y64-R91 HydrophobicContact CG-CB 3.9Å; Y64-R91 HydrophobicContact CG-CG 4.29Å; E68-R91 PolarHBondContact OE1-N 3.33Å; E68-R91 PolarHBondContact OE2-N 2.75Å; E88-R91 PolarHBondContact O-NH2 3.25Å; E88-R91 VanDerWaalsContact O-NH2 3.08Å; L89-R91 WeakPolarHBondContact O-CG 3.27Å; L89-R91 PolarHBondContact O-N 3.22Å; L89-R91 PolarHBondContact O-NE 2.82Å; L89-R91 PolarHBondContact O-NH2 2.92Å; R91-K93 PolarHBondContact O-N 3.44Å; R91-S94 WeakPolarHBondContact O-CB 3.49Å; R91-S94 PolarHBondContact O-N 2.49Å; R91-I95 HydrophobicContact CB-CD1 3.88Å; R91-I95 HydrophobicContact CB-CG1 4.35Å; R91-I95 WeakPolarHBondContact O-CG1 3.41Å; R91-I95 PolarHBondContact O-N 2.97Å; R91-Y143 HydrophobicContact CG-CE1 4.33Å; R91-F171 HydrophobicContact CB-CD2 4.16Å; R91-F171 HydrophobicContact CB-CE2 4.15Å; R91-F171 HydrophobicContact CG-CD2 4.18Å; R91-F171 HydrophobicContact CG-CE2 3.85Å; R91-F171 PolarHBondContact NH1-O 3.06Å; R91-A173 PolarHBondContact NH1-O 3.06Å; R91-F174 VanDerWaalsContact NH1-CG 3.32Å | ||
| 92 | I | 98.3 | Very high | 98.3 | Very high | 35 Ų | 35 | 48.9 Ų | 48.9 | 18% | 0.179 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -48.8 | -56.2 | -173 | -71.9 | 165.3 | 0 | 0 | 0 | 111.1 | Y61 R65 E68 S94 I95 E96 | Y61-I92 HydrophobicContact CE2-CG2 4.23Å; R65-I92 HydrophobicContact CB-CD1 4.48Å; E68-I92 HydrophobicContact CB-CD1 3.76Å; E68-I92 HydrophobicContact CB-CG1 4.49Å; E68-I92 HydrophobicContact CG-CD1 4.4Å; E68-I92 VanDerWaalsContact OE2-CD1 3.25Å; E68-I92 WeakPolarHBondContact OE2-CD1 3.44Å; E68-I92 WeakPolarHBondContact OE2-CG1 3.47Å; E68-I92 PolarHBondContact OE2-N 3.23Å; I92-S94 VanDerWaalsContact C-N 3.27Å; I92-S94 PolarHBondContact O-N 2.79Å; I92-I95 PolarHBondContact O-N 3.1Å; I92-E96 HydrophobicContact CG2-CG 4.08Å; I92-E96 WeakPolarHBondContact O-CG 3.44Å; I92-E96 PolarHBondContact O-N 2.93Å |
| 93 | K | 98.1 | Very high | 98.2 | Very high | 178 Ų | 178 | 49.4 Ų | 49.4 | 77% | 0.774 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -58.1 | -38.2 | -177.4 | -67.2 | -176.9 | 178.9 | 176.6 | 0 | 113.2 | R91 K97 | R91-K93 PolarHBondContact O-N 3.44Å; K93-K97 PolarHBondContact O-N 3.32Å; K93-K97 VanDerWaalsContact O-N 3.14Å |
| 94 | S | 98.3 | Very high | 98.2 | Very high | 26 Ų | 26 | 50.5 Ų | 50.5 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.8 | -41.8 | 176.7 | -68.7 | 0 | 0 | 0 | 0 | 111.7 | R91 I92 K97 D98 S170 | R91-S94 WeakPolarHBondContact O-CB 3.49Å; R91-S94 PolarHBondContact O-N 2.49Å; I92-S94 VanDerWaalsContact C-N 3.27Å; I92-S94 PolarHBondContact O-N 2.79Å; S94-K97 PolarHBondContact O-N 2.96Å; S94-D98 PolarHBondContact O-N 3.19Å; S94-D98 VanDerWaalsContact O-N 3.11Å; S94-S170 WeakPolarHBondContact CB-O 3.4Å; S94-S170 WeakPolarHBondContact O-CB 3.44Å; S94-S170 PolarHBondContact OG-O 2.83Å |
| 95 | I | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.9 | -40.5 | 177.7 | -60.4 | 165.7 | 0 | 0 | 0 | 110.7 | L60 Y61 Y64 R91 I92 K97 D98 L99 F171 | L60-I95 HydrophobicContact CB-CD1 4.11Å; Y61-I95 HydrophobicContact CD2-CG2 4.27Å; Y61-I95 HydrophobicContact CG-CG2 4.45Å; Y64-I95 HydrophobicContact CD2-CD1 3.8Å; Y64-I95 HydrophobicContact CG-CD1 4.05Å; R91-I95 HydrophobicContact CB-CD1 3.88Å; R91-I95 HydrophobicContact CB-CG1 4.35Å; R91-I95 WeakPolarHBondContact O-CG1 3.41Å; R91-I95 PolarHBondContact O-N 2.97Å; I92-I95 PolarHBondContact O-N 3.1Å; I95-K97 VanDerWaalsContact C-N 3.31Å; I95-K97 PolarHBondContact O-N 3.24Å; I95-D98 PolarHBondContact O-N 3.06Å; I95-D98 VanDerWaalsContact O-N 3.17Å; I95-L99 HydrophobicContact CG2-CD1 3.89Å; I95-L99 HydrophobicContact CG2-CG 4.19Å; I95-L99 WeakPolarHBondContact O-CB 3.5Å; I95-L99 WeakPolarHBondContact O-CG 3.46Å; I95-L99 PolarHBondContact O-N 3.48Å; I95-F171 HydrophobicContact CD1-CD2 3.8Å; I95-F171 HydrophobicContact CD1-CE2 4.11Å; I95-F171 HydrophobicContact CG1-CB 4.23Å; I95-F171 HydrophobicContact CG1-CD2 3.53Å; I95-F171 HydrophobicContact CG1-CE2 4.34Å; I95-F171 HydrophobicContact CG1-CG 4.24Å |
| 96 | E | 98.6 | Very high | 98 | Very high | 45 Ų | 45 | 54 Ų | 54 | 21% | 0.21 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.2 | -43.9 | 175.5 | -68.7 | -171 | 139.1 | 0 | 0 | 111.4 | Y61 I92 D98 L99 E100 W107 R108 | Y61-E96 HydrophobicContact CD2-CG 4.19Å; Y61-E96 HydrophobicContact CE2-CG 3.68Å; I92-E96 HydrophobicContact CG2-CG 4.08Å; I92-E96 WeakPolarHBondContact O-CG 3.44Å; I92-E96 PolarHBondContact O-N 2.93Å; E96-D98 VanDerWaalsContact C-N 3.35Å; E96-D98 PolarHBondContact O-N 3.12Å; E96-L99 PolarHBondContact O-N 3.35Å; E96-E100 WeakPolarHBondContact O-CB 3.29Å; E96-E100 PolarHBondContact O-N 2.97Å; E96-W107 HydrophobicContact CB-CH2 4.31Å; E96-W107 HydrophobicContact CB-CZ2 3.83Å; E96-W107 HydrophobicContact CG-CH2 3.72Å; E96-W107 HydrophobicContact CG-CZ2 3.63Å; E96-R108 IonicContact OE1-CZ 3.9Å; E96-R108 IonicContact OE1-NH2 3.87Å; E96-R108 PolarHBondContact OE1-NH2 3.32Å; E96-R108 IonicContact OE2-NH2 2.82Å |
| 97 | K | 98.1 | Very high | 98 | Very high | 129 Ų | 129 | 51.6 Ų | 51.6 | 56% | 0.561 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61.3 | -41.8 | 175.2 | -177.2 | 177.3 | 173.7 | -166.2 | 0 | 112.4 | K93 S94 I95 Y101 S170 | K93-K97 PolarHBondContact O-N 3.32Å; K93-K97 VanDerWaalsContact O-N 3.14Å; S94-K97 PolarHBondContact O-N 2.96Å; I95-K97 VanDerWaalsContact C-N 3.31Å; I95-K97 PolarHBondContact O-N 3.24Å; K97-Y101 WeakPolarHBondContact O-CB 3.37Å; K97-Y101 PolarHBondContact O-N 3.17Å; K97-S170 WeakPolarHBondContact CD-OG 3.37Å |
| 98 | D | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.3 | -39.2 | 178 | -66.8 | -19.6 | 0 | 0 | 0 | 111.6 | L57 S94 I95 E96 Y101 F102 G168 L169 S170 F171 | L57-D98 HydrophobicContact CD1-CB 3.89Å; L57-D98 HydrophobicContact CD2-CB 4.3Å; S94-D98 PolarHBondContact O-N 3.19Å; S94-D98 VanDerWaalsContact O-N 3.11Å; I95-D98 PolarHBondContact O-N 3.06Å; I95-D98 VanDerWaalsContact O-N 3.17Å; E96-D98 VanDerWaalsContact C-N 3.35Å; E96-D98 PolarHBondContact O-N 3.12Å; D98-Y101 WeakPolarHBondContact O-CB 3.37Å; D98-Y101 PolarHBondContact O-N 2.94Å; D98-F102 WeakPolarHBondContact O-CD2 3.12Å; D98-F102 PolarHBondContact O-N 3.27Å; D98-F102 VanDerWaalsContact O-N 3.11Å; D98-G168 VanDerWaalsContact CG-C 3.49Å; D98-G168 WeakPolarHBondContact OD1-CA 3.36Å; D98-L169 PolarHBondContact OD1-N 3.34Å; D98-L169 VanDerWaalsContact OD1-N 3.08Å; D98-S170 WeakPolarHBondContact OD1-CA 3.35Å; D98-S170 WeakPolarHBondContact OD1-CB 3.45Å; D98-S170 PolarHBondContact OD1-N 3.25Å; D98-S170 PolarHBondContact OD1-OG 3.07Å; D98-S170 PolarHBondContact OD2-N 3.49Å; D98-F171 PolarHBondContact OD2-N 3.39Å |
| 99 | L | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 175.7 | -74.1 | 172.9 | 0 | 0 | 0 | 111.7 | L57 Y61 I95 E96 Y101 F102 Y103 W107 | L57-L99 HydrophobicContact CB-CD2 3.85Å; L57-L99 HydrophobicContact CB-CG 4.41Å; Y61-L99 HydrophobicContact CD1-CD1 4.49Å; Y61-L99 HydrophobicContact CD2-CD1 4.29Å; Y61-L99 HydrophobicContact CG-CD1 3.93Å; I95-L99 HydrophobicContact CG2-CD1 3.89Å; I95-L99 HydrophobicContact CG2-CG 4.19Å; I95-L99 WeakPolarHBondContact O-CB 3.5Å; I95-L99 WeakPolarHBondContact O-CG 3.46Å; I95-L99 PolarHBondContact O-N 3.48Å; E96-L99 PolarHBondContact O-N 3.35Å; L99-Y101 VanDerWaalsContact C-N 3.31Å; L99-Y101 PolarHBondContact O-N 2.75Å; L99-F102 PolarHBondContact O-N 3.07Å; L99-Y103 HydrophobicContact CD2-CD2 3.98Å; L99-Y103 HydrophobicContact CD2-CE2 3.92Å; L99-Y103 WeakPolarHBondContact O-CB 3.49Å; L99-Y103 PolarHBondContact O-N 3.19Å; L99-W107 HydrophobicContact CB-CB 4.25Å; L99-W107 HydrophobicContact CB-CD2 3.73Å; L99-W107 HydrophobicContact CB-CE3 3.66Å; L99-W107 HydrophobicContact CB-CG 4.02Å; L99-W107 HydrophobicContact CB-CZ3 4.23Å; L99-W107 HydrophobicContact CD1-CD2 4.39Å; L99-W107 HydrophobicContact CD1-CE3 3.5Å; L99-W107 HydrophobicContact CD1-CH2 4.15Å; L99-W107 HydrophobicContact CD1-CZ3 3.35Å; L99-W107 HydrophobicContact CG-CE3 4.15Å; L99-W107 HydrophobicContact CG-CZ3 4.41Å |
| 100 | E | 98.1 | Very high | 97.7 | Very high | 101 Ų | 101 | 63.7 Ų | 63.7 | 47% | 0.472 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.2 | -41.6 | 174.9 | -174.3 | 171.4 | -167.5 | 0 | 0 | 111.6 | E96 F102 G104 | E96-E100 WeakPolarHBondContact O-CB 3.29Å; E96-E100 PolarHBondContact O-N 2.97Å; E100-F102 VanDerWaalsContact C-N 3.34Å; E100-F102 PolarHBondContact O-N 2.88Å; E100-G104 WeakPolarHBondContact O-CA 3.39Å; E100-G104 PolarHBondContact O-N 3.01Å |
| 101 | Y | 97.4 | Very high | 97.6 | Very high | 105 Ų | 105 | 63.7 Ų | 63.7 | 41% | 0.412 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.2 | -42.9 | 174.5 | 173.8 | -99.1 | 0 | 0 | 0 | 112.6 | K97 D98 L99 L163 E167 | K97-Y101 WeakPolarHBondContact O-CB 3.37Å; K97-Y101 PolarHBondContact O-N 3.17Å; D98-Y101 WeakPolarHBondContact O-CB 3.37Å; D98-Y101 PolarHBondContact O-N 2.94Å; L99-Y101 VanDerWaalsContact C-N 3.31Å; L99-Y101 PolarHBondContact O-N 2.75Å; Y101-L163 HydrophobicContact CE1-CD2 4.28Å; Y101-E167 HydrophobicContact CD2-CB 4.19Å; Y101-E167 HydrophobicContact CE1-CB 4.48Å; Y101-E167 HydrophobicContact CE2-CB 3.69Å; Y101-E167 HydrophobicContact CE2-CG 4.23Å |
| 102 | F | 97.1 | Very high | 97.4 | Very high | 28 Ų | 28 | 67.3 Ų | 67.3 | 12% | 0.123 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -88.2 | -22.8 | -175.6 | -70.8 | -58.8 | 0 | 0 | 0 | 115.6 | L50 Y53 K54 L57 D98 L99 E100 L163 G168 | L50-F102 HydrophobicContact CD1-CD1 3.76Å; L50-F102 HydrophobicContact CD1-CE1 3.42Å; L50-F102 VanDerWaalsContact CD1-CE1 3.42Å; L50-F102 HydrophobicContact CD1-CZ 4.14Å; Y53-F102 AromaticContact CD1-CE2 3.91Å; Y53-F102 HydrophobicContact CD1-CE2 3.91Å; Y53-F102 AromaticContact CD1-CZ 3.94Å; Y53-F102 HydrophobicContact CD1-CZ 3.94Å; Y53-F102 AromaticContact CE1-CE2 3.55Å; Y53-F102 HydrophobicContact CE1-CE2 3.55Å; Y53-F102 AromaticContact CE1-CZ 3.77Å; Y53-F102 HydrophobicContact CE1-CZ 3.77Å; K54-F102 HydrophobicContact CD-CB 3.91Å; K54-F102 HydrophobicContact CD-CD1 4.34Å; K54-F102 HydrophobicContact CD-CG 4.22Å; K54-F102 HydrophobicContact CG-CB 3.92Å; K54-F102 HydrophobicContact CG-CD1 4.28Å; K54-F102 HydrophobicContact CG-CD2 4.3Å; K54-F102 HydrophobicContact CG-CG 3.92Å; K54-F102 PolarHBondContact NZ-O 3.1Å; L57-F102 HydrophobicContact CD1-CD2 3.64Å; L57-F102 HydrophobicContact CD1-CE2 3.61Å; D98-F102 WeakPolarHBondContact O-CD2 3.12Å; D98-F102 PolarHBondContact O-N 3.27Å; D98-F102 VanDerWaalsContact O-N 3.11Å; L99-F102 PolarHBondContact O-N 3.07Å; E100-F102 VanDerWaalsContact C-N 3.34Å; E100-F102 PolarHBondContact O-N 2.88Å; F102-L163 HydrophobicContact CE1-CD2 4.06Å; F102-L163 HydrophobicContact CZ-CD1 4.08Å; F102-L163 HydrophobicContact CZ-CD2 4.23Å; F102-G168 WeakPolarHBondContact CE2-O 3.38Å |
| 103 | Y | 97.1 | Very high | 97.4 | Very high | 41 Ų | 41 | 66.9 Ų | 66.9 | 16% | 0.161 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -123.6 | -7.9 | -171.5 | -72.5 | -85 | 0 | 0 | 0 | 113.7 | K54 L99 W107 K110 | K54-Y103 HydrophobicContact CB-CE2 3.88Å; K54-Y103 WeakPolarHBondContact CB-OH 3.48Å; K54-Y103 HydrophobicContact CD-CE2 4.34Å; K54-Y103 VanDerWaalsContact CE-CE1 3.42Å; K54-Y103 HydrophobicContact CG-CE2 4.17Å; L99-Y103 HydrophobicContact CD2-CD2 3.98Å; L99-Y103 HydrophobicContact CD2-CE2 3.92Å; L99-Y103 WeakPolarHBondContact O-CB 3.49Å; L99-Y103 PolarHBondContact O-N 3.19Å; Y103-W107 HydrophobicContact CG-CB 4.45Å; Y103-K110 HydrophobicContact CD1-CB 3.75Å; Y103-K110 HydrophobicContact CD1-CD 3.95Å; Y103-K110 HydrophobicContact CD1-CG 4.47Å; Y103-K110 HydrophobicContact CE1-CB 4.15Å; Y103-K110 HydrophobicContact CG-CB 4.45Å; Y103-K110 PolarHBondContact O-NZ 2.99Å |
| 104 | G | 97.7 | Very high | 97.4 | Very high | 25 Ų | 25 | 58.9 Ų | 58.9 | 26% | 0.258 | 29% | 0.289 | S | S | . | . | trans | 81 | -175.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E100 D106 W107 | E100-G104 WeakPolarHBondContact O-CA 3.39Å; E100-G104 PolarHBondContact O-N 3.01Å; G104-D106 PolarHBondContact O-N 3.48Å; G104-W107 VanDerWaalsContact O-CB 3.31Å; G104-W107 WeakPolarHBondContact O-CB 3.2Å; G104-W107 PolarHBondContact O-N 3.02Å; G104-W107 VanDerWaalsContact O-N 3.1Å | ||
| 105 | P | 96.6 | Very high | 97.4 | Very high | 93 Ų | 93 | 62.5 Ų | 62.5 | 60% | 0.604 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -32.9 | -175.2 | 22.9 | -33.8 | 0 | 0 | 0 | 113.3 | W107 | P105-W107 PolarHBondContact O-N 3.33Š|
| 106 | D | 96.8 | Very high | 97.3 | Very high | 86 Ų | 86 | 63.1 Ų | 63.1 | 46% | 0.46 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 25.4 | 179.6 | -42.8 | -48.6 | 0 | 0 | 0 | 112.9 | G104 R108 E109 | G104-D106 PolarHBondContact O-N 3.48Å; D106-R108 PolarHBondContact O-N 3.4Å; D106-R108 VanDerWaalsContact O-N 3.14Å; D106-E109 PolarHBondContact O-N 2.69Å; D106-E109 VanDerWaalsContact O-N 3.15Å |
| 107 | W | 97.9 | Very high | 97.4 | Very high | 5 Ų | 5 | 61 Ų | 61 | 2% | 0.019 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -57.6 | -30.1 | -176.4 | 64.1 | -94.5 | 0 | 0 | 0 | 113.1 | Y61 E96 L99 Y103 G104 P105 E109 K110 I111 | Y61-W107 HydrophobicContact CD1-CH2 4.42Å; Y61-W107 HydrophobicContact CD1-CZ3 4.02Å; Y61-W107 HydrophobicContact CD2-CH2 4.11Å; Y61-W107 HydrophobicContact CD2-CZ3 4.3Å; Y61-W107 AromaticContact CE1-CH2 3.89Å; Y61-W107 HydrophobicContact CE1-CH2 3.89Å; Y61-W107 AromaticContact CE1-CZ3 3.78Å; Y61-W107 HydrophobicContact CE1-CZ3 3.78Å; Y61-W107 AromaticContact CE2-CH2 3.6Å; Y61-W107 HydrophobicContact CE2-CH2 3.6Å; Y61-W107 HydrophobicContact CE2-CZ3 4.14Å; Y61-W107 HydrophobicContact CG-CH2 4.49Å; Y61-W107 HydrophobicContact CG-CZ3 4.25Å; Y61-W107 AromaticContact CZ-CH2 3.47Å; Y61-W107 VanDerWaalsContact CZ-CH2 3.47Å; Y61-W107 AromaticContact CZ-CZ3 3.87Å; E96-W107 HydrophobicContact CB-CH2 4.31Å; E96-W107 HydrophobicContact CB-CZ2 3.83Å; E96-W107 HydrophobicContact CG-CH2 3.72Å; E96-W107 HydrophobicContact CG-CZ2 3.63Å; L99-W107 HydrophobicContact CB-CB 4.25Å; L99-W107 HydrophobicContact CB-CD2 3.73Å; L99-W107 HydrophobicContact CB-CE3 3.66Å; L99-W107 HydrophobicContact CB-CG 4.02Å; L99-W107 HydrophobicContact CB-CZ3 4.23Å; L99-W107 HydrophobicContact CD1-CD2 4.39Å; L99-W107 HydrophobicContact CD1-CE3 3.5Å; L99-W107 HydrophobicContact CD1-CH2 4.15Å; L99-W107 HydrophobicContact CD1-CZ3 3.35Å; L99-W107 HydrophobicContact CG-CE3 4.15Å; L99-W107 HydrophobicContact CG-CZ3 4.41Å; Y103-W107 HydrophobicContact CG-CB 4.45Å; G104-W107 VanDerWaalsContact O-CB 3.31Å; G104-W107 WeakPolarHBondContact O-CB 3.2Å; G104-W107 PolarHBondContact O-N 3.02Å; G104-W107 VanDerWaalsContact O-N 3.1Å; P105-W107 PolarHBondContact O-N 3.33Å; W107-E109 VanDerWaalsContact C-N 3.26Å; W107-E109 PolarHBondContact O-N 3.2Å; W107-K110 PolarHBondContact O-N 3.11Å; W107-I111 HydrophobicContact CE3-CD1 3.88Å; W107-I111 HydrophobicContact CE3-CG1 4.07Å; W107-I111 HydrophobicContact CZ3-CD1 3.53Å; W107-I111 HydrophobicContact CZ3-CG1 4.21Å; W107-I111 PolarHBondContact O-N 3.19Å |
| 108 | R | 97.2 | Very high | 97.4 | Very high | 137 Ų | 137 | 60.5 Ų | 60.5 | 52% | 0.517 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -60.1 | -35.5 | 179.3 | -70.5 | -174.6 | 174.3 | 85.9 | 0.5 | 112.5 | E96 D106 K110 | E96-R108 IonicContact OE1-CZ 3.9Å; E96-R108 IonicContact OE1-NH2 3.87Å; E96-R108 PolarHBondContact OE1-NH2 3.32Å; E96-R108 IonicContact OE2-NH2 2.82Å; D106-R108 PolarHBondContact O-N 3.4Å; D106-R108 VanDerWaalsContact O-N 3.14Å; R108-K110 PolarHBondContact O-N 3.31Å |
| 109 | E | 96.6 | Very high | 97.4 | Very high | 168 Ų | 168 | 66 Ų | 66 | 79% | 0.785 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -76.2 | -13 | 178.3 | -59.3 | -179.1 | -176.6 | 0 | 0 | 112.7 | D106 W107 | D106-E109 PolarHBondContact O-N 2.69Å; D106-E109 VanDerWaalsContact O-N 3.15Å; W107-E109 VanDerWaalsContact C-N 3.26Å; W107-E109 PolarHBondContact O-N 3.2Å |
| 110 | K | 95.1 | Very high | 97.4 | Very high | 91 Ų | 91 | 66 Ų | 66 | 40% | 0.396 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -105.1 | 2.7 | -174.8 | -58.5 | 173.2 | -167.8 | 170.3 | 0 | 112.7 | Y103 W107 R108 V112 | Y103-K110 HydrophobicContact CD1-CB 3.75Å; Y103-K110 HydrophobicContact CD1-CD 3.95Å; Y103-K110 HydrophobicContact CD1-CG 4.47Å; Y103-K110 HydrophobicContact CE1-CB 4.15Å; Y103-K110 HydrophobicContact CG-CB 4.45Å; Y103-K110 PolarHBondContact O-NZ 2.99Å; W107-K110 PolarHBondContact O-N 3.11Å; R108-K110 PolarHBondContact O-N 3.31Å; K110-V112 PolarHBondContact O-N 3.41Å |
| 111 | I | 95.8 | Very high | 97.5 | Very high | 38 Ų | 38 | 61.4 Ų | 61.4 | 20% | 0.195 | 30% | 0.304 | C | S | . | . | trans | -67.7 | 121.1 | 178.2 | -60.9 | 178.2 | 0 | 0 | 0 | 109 | C58 Y61 E62 W107 V113 | C58-I111 HydrophobicContact CB-CG2 4.15Å; Y61-I111 HydrophobicContact CD1-CD1 3.63Å; Y61-I111 HydrophobicContact CE1-CD1 3.66Å; E62-I111 HydrophobicContact CG-CG2 4.44Å; W107-I111 HydrophobicContact CE3-CD1 3.88Å; W107-I111 HydrophobicContact CE3-CG1 4.07Å; W107-I111 HydrophobicContact CZ3-CD1 3.53Å; W107-I111 HydrophobicContact CZ3-CG1 4.21Å; W107-I111 PolarHBondContact O-N 3.19Å; I111-V113 HydrophobicContact CG2-CG1 3.96Å | ||
| 112 | V | 95.2 | Very high | 97.5 | Very high | 81 Ų | 81 | 62.1 Ų | 62.1 | 49% | 0.491 | 31% | 0.311 | S | S | . | . | trans | -130 | 128 | 170.9 | -168.4 | 0 | 0 | 0 | 0 | 107.8 | K110 M225 | K110-V112 PolarHBondContact O-N 3.41Å; V112-M225 HydrophobicContact CB-CE 4.29Å; V112-M225 HydrophobicContact CG1-CE 3.49Å; V112-M225 VanDerWaalsContact CG1-CE 3.49Å | ||
| 113 | V | 97.9 | Very high | 97.6 | Very high | 26 Ų | 26 | 62.3 Ų | 62.3 | 16% | 0.158 | 31% | 0.311 | C | S | . | . | trans | -134.2 | 150.6 | -177.3 | -61.5 | 0 | 0 | 0 | 0 | 110.7 | C58 E62 I111 T117 Q118 | C58-V113 HydrophobicContact CB-CG1 3.96Å; C58-V113 WeakPolarHBondContact O-CG1 3.21Å; E62-V113 HydrophobicContact CG-CG1 4.02Å; E62-V113 HydrophobicContact CG-CG2 4.43Å; I111-V113 HydrophobicContact CG2-CG1 3.96Å; V113-T117 HydrophobicContact CB-CG2 3.92Å; V113-T117 HydrophobicContact CG1-CG2 4.13Å; V113-T117 HydrophobicContact CG2-CG2 4.19Å; V113-Q118 HydrophobicContact CG2-CG 4.16Å | ||
| 114 | P | 97.8 | Very high | 97.7 | Very high | 10 Ų | 10 | 60.4 Ų | 60.4 | 7% | 0.065 | 30% | 0.304 | C | S | . | . | trans | -69 | 158.8 | 173.9 | 28.7 | -34.4 | 0 | 0 | 0 | 111.2 | S59 A116 T117 Q118 L222 M225 | S59-P114 WeakPolarHBondContact OG-CD 3.45Å; P114-A116 PolarHBondContact O-N 2.91Å; P114-A116 VanDerWaalsContact O-N 3.1Å; P114-T117 WeakPolarHBondContact CD-OG1 3.23Å; P114-T117 WeakPolarHBondContact CG-OG1 3.4Å; P114-T117 WeakPolarHBondContact O-CB 3.45Å; P114-T117 PolarHBondContact O-N 3.41Å; P114-Q118 PolarHBondContact O-N 2.94Å; P114-L222 HydrophobicContact CG-CD2 4.29Å; P114-L222 HydrophobicContact CG-CG 4.26Å; P114-M225 HydrophobicContact CB-SD 3.78Å; P114-M225 HydrophobicContact CG-SD 4.26Å | ||
| 115 | V | 98.1 | Very high | 97.8 | Very high | 102 Ų | 102 | 63 Ų | 63 | 62% | 0.618 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -53.7 | -32.1 | 173.6 | 175.8 | 0 | 0 | 0 | 0 | 111.9 | T117 Q118 R119 | V115-T117 VanDerWaalsContact C-N 3.3Å; V115-T117 PolarHBondContact O-N 2.84Å; V115-Q118 PolarHBondContact O-N 3.5Å; V115-R119 HydrophobicContact CG1-CG 4.47Å; V115-R119 PolarHBondContact O-N 3.05Å |
| 116 | A | 98.6 | Very high | 97.9 | Very high | 13 Ų | 13 | 61.5 Ų | 61.5 | 11% | 0.107 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.2 | -38.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | P114 R119 Y120 Q217 V218 | P114-A116 PolarHBondContact O-N 2.91Å; P114-A116 VanDerWaalsContact O-N 3.1Å; A116-R119 PolarHBondContact O-N 2.88Å; A116-Y120 PolarHBondContact O-N 3.32Å; A116-Q217 HydrophobicContact CB-CB 4.04Å; A116-Q217 VanDerWaalsContact CB-O 3.3Å; A116-Q217 WeakPolarHBondContact CB-O 3.47Å; A116-V218 HydrophobicContact CB-CG2 4.1Å |
| 117 | T | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 176.8 | -58 | 0 | 0 | 0 | 0 | 111.2 | S59 E62 I63 V113 P114 V115 Y120 S121 | S59-T117 WeakPolarHBondContact CB-OG1 3.48Å; S59-T117 WeakPolarHBondContact O-CG2 3.44Å; S59-T117 PolarHBondContact OG-OG1 2.95Å; E62-T117 HydrophobicContact CB-CG2 3.75Å; E62-T117 HydrophobicContact CG-CG2 4.47Å; I63-T117 HydrophobicContact CD1-CG2 4.22Å; I63-T117 HydrophobicContact CG1-CG2 4.01Å; V113-T117 HydrophobicContact CB-CG2 3.92Å; V113-T117 HydrophobicContact CG1-CG2 4.13Å; V113-T117 HydrophobicContact CG2-CG2 4.19Å; P114-T117 WeakPolarHBondContact CD-OG1 3.23Å; P114-T117 WeakPolarHBondContact CG-OG1 3.4Å; P114-T117 WeakPolarHBondContact O-CB 3.45Å; P114-T117 PolarHBondContact O-N 3.41Å; V115-T117 VanDerWaalsContact C-N 3.3Å; V115-T117 PolarHBondContact O-N 2.84Å; T117-Y120 PolarHBondContact O-N 2.76Å; T117-S121 WeakPolarHBondContact O-CB 3.29Å; T117-S121 PolarHBondContact O-N 2.97Å; T117-S121 PolarHBondContact O-OG 3.3Å |
| 118 | Q | 98.6 | Very high | 98 | Very high | 120 Ų | 120 | 57.2 Ų | 57.2 | 56% | 0.561 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -63.8 | -43.3 | 176.5 | -65.7 | 176.4 | -11.8 | 0 | 0 | 111.1 | V113 P114 V115 Y120 S121 H122 | V113-Q118 HydrophobicContact CG2-CG 4.16Å; P114-Q118 PolarHBondContact O-N 2.94Å; V115-Q118 PolarHBondContact O-N 3.5Å; Q118-Y120 VanDerWaalsContact C-N 3.34Å; Q118-Y120 PolarHBondContact O-N 2.96Å; Q118-S121 PolarHBondContact O-N 3.01Å; Q118-H122 VanDerWaalsContact O-CB 3.32Å; Q118-H122 WeakPolarHBondContact O-CB 3.34Å; Q118-H122 PolarHBondContact O-N 3.32Å |
| 119 | R | 98.8 | Very high | 98 | Very high | 116 Ų | 116 | 58.9 Ų | 58.9 | 44% | 0.438 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60 | -42.7 | 174.8 | -79.2 | -178.3 | 51.1 | -101.7 | -3.5 | 112.5 | V115 A116 H122 R123 F214 | V115-R119 HydrophobicContact CG1-CG 4.47Å; V115-R119 PolarHBondContact O-N 3.05Å; A116-R119 PolarHBondContact O-N 2.88Å; R119-H122 PolarHBondContact O-N 3.19Å; R119-R123 PolarHBondContact O-N 3.18Å; R119-F214 HydrophobicContact CB-CE1 4.46Å |
| 120 | Y | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.9 | -51.7 | 176.1 | -165.8 | 172.4 | 0 | 0 | 0 | 110.5 | I63 A116 T117 Q118 H122 R123 L124 H138 F214 V218 | I63-Y120 HydrophobicContact CD1-CD1 3.69Å; I63-Y120 HydrophobicContact CD1-CE1 4.29Å; I63-Y120 HydrophobicContact CD1-CG 4.46Å; I63-Y120 HydrophobicContact CG1-CD1 3.95Å; I63-Y120 HydrophobicContact CG1-CG 4.27Å; I63-Y120 HydrophobicContact CG2-CD1 4.16Å; I63-Y120 HydrophobicContact CG2-CE1 4.09Å; A116-Y120 PolarHBondContact O-N 3.32Å; T117-Y120 PolarHBondContact O-N 2.76Å; Q118-Y120 VanDerWaalsContact C-N 3.34Å; Q118-Y120 PolarHBondContact O-N 2.96Å; Y120-H122 PolarHBondContact O-N 3.11Å; Y120-R123 PolarHBondContact O-N 3.1Å; Y120-L124 HydrophobicContact CD2-CD1 3.99Å; Y120-L124 HydrophobicContact CD2-CG 3.98Å; Y120-L124 HydrophobicContact CE2-CD1 3.93Å; Y120-L124 HydrophobicContact CE2-CD2 4.06Å; Y120-L124 HydrophobicContact CE2-CG 3.89Å; Y120-L124 PolarHBondContact O-N 3.21Å; Y120-H138 AromaticContact CE2-CE1 3.48Å; Y120-H138 VanDerWaalsContact CE2-CE1 3.48Å; Y120-H138 WeakPolarHBondContact CE2-CE1 3.47Å; Y120-H138 AromaticContact CE2-ND1 3.25Å; Y120-H138 VanDerWaalsContact CE2-ND1 3.25Å; Y120-H138 WeakPolarHBondContact CE2-ND1 3.33Å; Y120-H138 AromaticContact CZ-ND1 3.62Å; Y120-H138 PolarHBondContact OH-ND1 3.24Å; Y120-H138 VanDerWaalsContact OH-ND1 3.08Å; Y120-F214 HydrophobicContact CD1-CB 3.45Å; Y120-F214 VanDerWaalsContact CD1-CB 3.45Å; Y120-F214 HydrophobicContact CD1-CG 4.3Å; Y120-F214 HydrophobicContact CD2-CB 3.84Å; Y120-F214 HydrophobicContact CD2-CD1 4.41Å; Y120-F214 HydrophobicContact CD2-CD2 4.06Å; Y120-F214 AromaticContact CD2-CG 3.87Å; Y120-F214 HydrophobicContact CD2-CG 3.87Å; Y120-F214 HydrophobicContact CE1-CB 3.66Å; Y120-F214 HydrophobicContact CE2-CB 4.11Å; Y120-F214 HydrophobicContact CE2-CD2 4.26Å; Y120-F214 HydrophobicContact CE2-CG 4.35Å; Y120-F214 HydrophobicContact CG-CB 3.53Å; Y120-F214 HydrophobicContact CG-CD1 4.2Å; Y120-F214 AromaticContact CG-CG 3.87Å; Y120-F214 HydrophobicContact CG-CG 3.87Å; Y120-V218 HydrophobicContact CD1-CG2 4.37Å |
| 121 | S | 98.9 | Very high | 98.3 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.2 | -36.4 | 178.6 | -51.9 | 0 | 0 | 0 | 0 | 112.4 | E62 T117 Q118 R125 | E62-S121 PolarHBondContact O-OG 2.73Å; T117-S121 WeakPolarHBondContact O-CB 3.29Å; T117-S121 PolarHBondContact O-N 2.97Å; T117-S121 PolarHBondContact O-OG 3.3Å; Q118-S121 PolarHBondContact O-N 3.01Å; S121-R125 PolarHBondContact O-N 3.14Å |
| 122 | H | 98.8 | Very high | 98.4 | Very high | 121 Ų | 121 | 53.2 Ų | 53.2 | 56% | 0.56 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -66.4 | -44.9 | 174.3 | -178.9 | 75.1 | 0 | 0 | 0 | 112.2 | Q118 R119 Y120 L124 R125 Q126 | Q118-H122 VanDerWaalsContact O-CB 3.32Å; Q118-H122 WeakPolarHBondContact O-CB 3.34Å; Q118-H122 PolarHBondContact O-N 3.32Å; R119-H122 PolarHBondContact O-N 3.19Å; Y120-H122 PolarHBondContact O-N 3.11Å; H122-L124 VanDerWaalsContact C-N 3.31Å; H122-L124 PolarHBondContact O-N 3.1Å; H122-R125 PolarHBondContact O-N 3.42Å; H122-Q126 WeakPolarHBondContact O-CB 3.3Å; H122-Q126 PolarHBondContact O-N 2.98Å |
| 123 | R | 98.8 | Very high | 98.6 | Very high | 32 Ų | 32 | 50.2 Ų | 50.2 | 12% | 0.121 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.9 | -43.2 | 177 | 178.7 | 59.9 | 176.9 | 163 | 6 | 111.6 | R119 Y120 R125 Q126 I127 E207 R210 F214 | R119-R123 PolarHBondContact O-N 3.18Å; Y120-R123 PolarHBondContact O-N 3.1Å; R123-R125 PolarHBondContact O-N 2.74Å; R123-Q126 WeakPolarHBondContact O-CB 3.24Å; R123-Q126 PolarHBondContact O-N 3.04Å; R123-I127 HydrophobicContact CG-CG2 4.46Å; R123-I127 WeakPolarHBondContact O-CG1 3.47Å; R123-I127 PolarHBondContact O-N 3.43Å; R123-E207 IonicContact CZ-OE1 3.58Å; R123-E207 IonicContact CZ-OE2 2.68Å; R123-E207 IonicContact NE-OE1 3.14Å; R123-E207 PolarHBondContact NE-OE1 3.13Å; R123-E207 IonicContact NE-OE2 2.81Å; R123-E207 PolarHBondContact NE-OE2 3.19Å; R123-E207 IonicContact NH2-OE1 2.84Å; R123-E207 IonicContact NH2-OE2 3.48Å; R123-E207 PolarHBondContact NH2-OE2 3.32Å; R123-R210 VanDerWaalsContact NH2-NH1 3.13Å; R123-F214 HydrophobicContact CB-CE1 4.45Å; R123-F214 HydrophobicContact CB-CE2 3.99Å; R123-F214 HydrophobicContact CB-CZ 3.72Å; R123-F214 HydrophobicContact CG-CE2 3.71Å; R123-F214 HydrophobicContact CG-CZ 3.85Å |
| 124 | L | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.8 | -47.7 | 177.2 | -71.3 | 169.5 | 0 | 0 | 0 | 111.7 | I63 A66 L67 Y120 H122 Q126 I127 G128 H138 | I63-L124 HydrophobicContact CG2-CD1 4.07Å; I63-L124 WeakPolarHBondContact O-CD1 3.37Å; A66-L124 HydrophobicContact CB-CB 4.1Å; A66-L124 HydrophobicContact CB-CD1 4.08Å; L67-L124 HydrophobicContact CB-CD1 4.01Å; L67-L124 HydrophobicContact CD1-CD2 4.02Å; Y120-L124 HydrophobicContact CD2-CD1 3.99Å; Y120-L124 HydrophobicContact CD2-CG 3.98Å; Y120-L124 HydrophobicContact CE2-CD1 3.93Å; Y120-L124 HydrophobicContact CE2-CD2 4.06Å; Y120-L124 HydrophobicContact CE2-CG 3.89Å; Y120-L124 PolarHBondContact O-N 3.21Å; H122-L124 VanDerWaalsContact C-N 3.31Å; H122-L124 PolarHBondContact O-N 3.1Å; L124-Q126 VanDerWaalsContact C-N 3.34Å; L124-Q126 PolarHBondContact O-N 3.4Å; L124-I127 HydrophobicContact CD2-CD1 4.48Å; L124-I127 VanDerWaalsContact O-CG1 3.27Å; L124-I127 WeakPolarHBondContact O-CG1 3.29Å; L124-I127 PolarHBondContact O-N 3.21Å; L124-G128 PolarHBondContact O-N 2.83Å; L124-H138 HydrophobicContact CD2-CB 3.66Å; L124-H138 VanDerWaalsContact CD2-CG 3.48Å |
| 125 | R | 98.9 | Very high | 98.7 | Very high | 79 Ų | 79 | 49.5 Ų | 49.5 | 30% | 0.298 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.3 | -37.8 | 175.7 | -68.2 | -174.3 | -175.2 | 102 | 2.1 | 113.1 | A66 E69 E70 S121 H122 R123 K129 | A66-R125 HydrophobicContact CB-CG 4.31Å; E69-R125 IonicContact OE2-CZ 3.48Å; E69-R125 IonicContact OE2-NE 3.83Å; E69-R125 PolarHBondContact OE2-NE 2.65Å; E69-R125 IonicContact OE2-NH2 3.96Å; E69-R125 PolarHBondContact OE2-NH2 3.34Å; E70-R125 HydrophobicContact CG-CG 4.3Å; S121-R125 PolarHBondContact O-N 3.14Å; H122-R125 PolarHBondContact O-N 3.42Å; R123-R125 PolarHBondContact O-N 2.74Å; R125-K129 PolarHBondContact O-N 3.39Å |
| 126 | Q | 98.8 | Very high | 98.7 | Very high | 62 Ų | 62 | 44.7 Ų | 44.7 | 29% | 0.29 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.4 | -52.4 | 177.3 | -172.4 | -167.1 | -28.8 | 0 | 0 | 110.9 | H122 R123 L124 G128 K129 E130 | H122-Q126 WeakPolarHBondContact O-CB 3.3Å; H122-Q126 PolarHBondContact O-N 2.98Å; R123-Q126 WeakPolarHBondContact O-CB 3.24Å; R123-Q126 PolarHBondContact O-N 3.04Å; L124-Q126 VanDerWaalsContact C-N 3.34Å; L124-Q126 PolarHBondContact O-N 3.4Å; Q126-G128 PolarHBondContact O-N 2.82Å; Q126-K129 PolarHBondContact O-N 2.85Å; Q126-E130 VanDerWaalsContact CG-OE2 3.25Å; Q126-E130 WeakPolarHBondContact CG-OE2 3.31Å; Q126-E130 PolarHBondContact NE2-OE2 2.86Å; Q126-E130 WeakPolarHBondContact O-CB 3.49Å; Q126-E130 WeakPolarHBondContact O-CG 3.2Å; Q126-E130 PolarHBondContact O-N 3.43Å |
| 127 | I | 98.5 | Very high | 98.7 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.8 | -36 | -179.6 | 65.9 | 179.4 | 0 | 0 | 0 | 111.9 | R123 L124 K129 E130 N131 F134 L135 H138 | R123-I127 HydrophobicContact CG-CG2 4.46Å; R123-I127 WeakPolarHBondContact O-CG1 3.47Å; R123-I127 PolarHBondContact O-N 3.43Å; L124-I127 HydrophobicContact CD2-CD1 4.48Å; L124-I127 VanDerWaalsContact O-CG1 3.27Å; L124-I127 WeakPolarHBondContact O-CG1 3.29Å; L124-I127 PolarHBondContact O-N 3.21Å; I127-K129 PolarHBondContact O-N 3.19Å; I127-K129 VanDerWaalsContact O-N 3.15Å; I127-E130 PolarHBondContact O-N 3.48Å; I127-N131 CarbonylContact O-C 2.96Å; I127-N131 WeakPolarHBondContact O-CA 3.45Å; I127-N131 PolarHBondContact O-N 3.49Å; I127-N131 VanDerWaalsContact O-O 3.11Å; I127-F134 HydrophobicContact CB-CB 4.24Å; I127-F134 HydrophobicContact CD1-CB 4.05Å; I127-F134 HydrophobicContact CG2-CB 4.39Å; I127-F134 HydrophobicContact CG2-CD2 4.31Å; I127-L135 HydrophobicContact CD1-CD2 4.03Å; I127-L135 HydrophobicContact CG1-CD2 3.94Å; I127-L135 HydrophobicContact CG1-CG 4.41Å; I127-H138 WeakPolarHBondContact CD1-CD2 3.32Å |
| 128 | G | 98.7 | Very high | 98.7 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.5 | -25.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E70 N74 L124 Q126 | E70-G128 WeakPolarHBondContact OE2-CA 3.47Å; N74-G128 PolarHBondContact ND2-O 2.86Å; N74-G128 PolarHBondContact OD1-O 3.49Å; L124-G128 PolarHBondContact O-N 2.83Å; Q126-G128 PolarHBondContact O-N 2.82Å |
| 129 | K | 98.5 | Very high | 98.7 | Very high | 172 Ų | 172 | 38.4 Ų | 38.4 | 75% | 0.748 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -89.8 | -42 | 174.5 | -174.9 | -178.3 | 177.1 | -171.8 | 0 | 113.5 | R125 Q126 I127 | R125-K129 PolarHBondContact O-N 3.39Å; Q126-K129 PolarHBondContact O-N 2.85Å; I127-K129 PolarHBondContact O-N 3.19Å; I127-K129 VanDerWaalsContact O-N 3.15Å |
| 130 | E | 98.3 | Very high | 98.6 | Very high | 109 Ų | 109 | 33.8 Ų | 33.8 | 51% | 0.509 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -100.8 | -33.9 | -165.9 | -64.6 | 172 | -176.2 | 0 | 0 | 113.4 | Q126 I127 | Q126-E130 VanDerWaalsContact CG-OE2 3.25Å; Q126-E130 WeakPolarHBondContact CG-OE2 3.31Å; Q126-E130 PolarHBondContact NE2-OE2 2.86Å; Q126-E130 WeakPolarHBondContact O-CB 3.49Å; Q126-E130 WeakPolarHBondContact O-CG 3.2Å; Q126-E130 PolarHBondContact O-N 3.43Å; I127-E130 PolarHBondContact O-N 3.48Å |
| 131 | N | 98.3 | Very high | 98.6 | Very high | 52 Ų | 52 | 34.4 Ų | 34.4 | 28% | 0.278 | 16% | 0.157 | S | C | . | . | trans | -148.6 | 67.6 | -172.2 | -53.2 | -94.1 | 0 | 0 | 0 | 110.1 | I127 E133 F134 | I127-N131 CarbonylContact O-C 2.96Å; I127-N131 WeakPolarHBondContact O-CA 3.45Å; I127-N131 PolarHBondContact O-N 3.49Å; I127-N131 VanDerWaalsContact O-O 3.11Å; N131-E133 WeakPolarHBondContact CA-OE2 3.48Å; N131-E133 WeakPolarHBondContact CB-OE1 3.49Å; N131-E133 PolarHBondContact O-N 3.22Å; N131-E133 VanDerWaalsContact O-N 3.15Å; N131-F134 HydrophobicContact CB-CD2 3.63Å; N131-F134 HydrophobicContact CB-CE2 3.8Å; N131-F134 HydrophobicContact CB-CG 4.16Å; N131-F134 HydrophobicContact CB-CZ 4.45Å; N131-F134 WeakPolarHBondContact O-CB 3.33Å; N131-F134 PolarHBondContact O-N 2.82Å | ||
| 132 | P | 98.6 | Very high | 98.5 | Very high | 16 Ų | 16 | 35.2 Ų | 35.2 | 10% | 0.104 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -60.3 | -25.3 | -170.2 | -24.8 | 35.6 | 0 | 0 | 0 | 114.8 | N74 H77 V80 F134 L135 | N74-P132 HydrophobicContact CB-CB 4.14Å; N74-P132 WeakPolarHBondContact OD1-CB 3.21Å; N74-P132 WeakPolarHBondContact OD1-CG 3.42Å; H77-P132 HydrophobicContact CB-CB 4.46Å; V80-P132 HydrophobicContact CG2-CB 4.49Å; V80-P132 WeakPolarHBondContact CG2-O 3.28Å; P132-F134 PolarHBondContact O-N 3.43Å; P132-L135 HydrophobicContact CB-CD1 4.44Å; P132-L135 WeakPolarHBondContact O-CB 3.38Å; P132-L135 WeakPolarHBondContact O-CG 3.36Å; P132-L135 PolarHBondContact O-N 3.11Å |
| 133 | E | 98.5 | Very high | 98.5 | Very high | 18 Ų | 18 | 30 Ų | 30 | 8% | 0.084 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -58.1 | -27.8 | 174.1 | 70 | -73.2 | 174 | 0 | 0 | 113 | A79 N131 L135 V136 L196 E200 | A79-E133 HydrophobicContact CB-CB 3.65Å; N131-E133 WeakPolarHBondContact CA-OE2 3.48Å; N131-E133 WeakPolarHBondContact CB-OE1 3.49Å; N131-E133 PolarHBondContact O-N 3.22Å; N131-E133 VanDerWaalsContact O-N 3.15Å; E133-L135 PolarHBondContact O-N 3.36Å; E133-V136 WeakPolarHBondContact O-CB 3.47Å; E133-V136 WeakPolarHBondContact O-CG2 3.48Å; E133-V136 PolarHBondContact O-N 2.81Å; E133-L196 HydrophobicContact CB-CD2 4.08Å; E133-E200 HydrophobicContact CG-CB 4.29Å; E133-E200 HydrophobicContact CG-CG 4.23Å |
| 134 | F | 98.8 | Very high | 98.5 | Very high | 22 Ų | 22 | 28.8 Ų | 28.8 | 10% | 0.096 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -72.8 | -14.2 | 176 | -64.6 | -9.9 | 0 | 0 | 0 | 113.5 | I127 N131 P132 V136 A137 G203 V204 E207 | I127-F134 HydrophobicContact CB-CB 4.24Å; I127-F134 HydrophobicContact CD1-CB 4.05Å; I127-F134 HydrophobicContact CG2-CB 4.39Å; I127-F134 HydrophobicContact CG2-CD2 4.31Å; N131-F134 HydrophobicContact CB-CD2 3.63Å; N131-F134 HydrophobicContact CB-CE2 3.8Å; N131-F134 HydrophobicContact CB-CG 4.16Å; N131-F134 HydrophobicContact CB-CZ 4.45Å; N131-F134 WeakPolarHBondContact O-CB 3.33Å; N131-F134 PolarHBondContact O-N 2.82Å; P132-F134 PolarHBondContact O-N 3.43Å; F134-V136 PolarHBondContact O-N 2.91Å; F134-A137 WeakPolarHBondContact O-CB 3.46Å; F134-A137 PolarHBondContact O-N 2.68Å; F134-A137 VanDerWaalsContact O-N 3.14Å; F134-G203 VanDerWaalsContact CE1-C 3.42Å; F134-V204 HydrophobicContact CD1-CG2 3.73Å; F134-V204 HydrophobicContact CE1-CG2 4.22Å; F134-E207 HydrophobicContact CB-CB 4.31Å; F134-E207 HydrophobicContact CB-CG 4.1Å; F134-E207 HydrophobicContact CG-CB 4.38Å |
| 135 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.3 | -28.7 | 172.7 | -68.2 | 169.7 | 0 | 0 | 0 | 111.8 | E70 M71 N74 V80 I127 P132 E133 A137 H138 A139 | E70-L135 HydrophobicContact CB-CD1 4.25Å; E70-L135 HydrophobicContact CB-CD2 3.97Å; M71-L135 HydrophobicContact SD-CB 3.94Å; M71-L135 HydrophobicContact SD-CD1 4.44Å; N74-L135 HydrophobicContact CB-CD1 4.05Å; V80-L135 HydrophobicContact CG2-CB 4.33Å; V80-L135 HydrophobicContact CG2-CD1 4.11Å; I127-L135 HydrophobicContact CD1-CD2 4.03Å; I127-L135 HydrophobicContact CG1-CD2 3.94Å; I127-L135 HydrophobicContact CG1-CG 4.41Å; P132-L135 HydrophobicContact CB-CD1 4.44Å; P132-L135 WeakPolarHBondContact O-CB 3.38Å; P132-L135 WeakPolarHBondContact O-CG 3.36Å; P132-L135 PolarHBondContact O-N 3.11Å; E133-L135 PolarHBondContact O-N 3.36Å; L135-A137 VanDerWaalsContact C-N 3.26Å; L135-A137 PolarHBondContact O-N 3.41Å; L135-H138 PolarHBondContact O-N 3.39Å; L135-A139 WeakPolarHBondContact O-CB 3.43Å; L135-A139 PolarHBondContact O-N 3.35Å |
| 136 | V | 98.4 | Very high | 98.3 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -55.2 | -42.8 | 175.5 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | L19 A79 I83 E133 F134 H138 Y140 M191 | L19-V136 HydrophobicContact CD2-CG1 4.42Å; A79-V136 HydrophobicContact CB-CG2 4.48Å; A79-V136 VanDerWaalsContact O-CG2 3.24Å; A79-V136 WeakPolarHBondContact O-CG2 3.39Å; I83-V136 HydrophobicContact CD1-CB 4.11Å; I83-V136 HydrophobicContact CD1-CG1 4.26Å; I83-V136 HydrophobicContact CD1-CG2 3.77Å; I83-V136 HydrophobicContact CG1-CG2 4.49Å; E133-V136 WeakPolarHBondContact O-CB 3.47Å; E133-V136 WeakPolarHBondContact O-CG2 3.48Å; E133-V136 PolarHBondContact O-N 2.81Å; F134-V136 PolarHBondContact O-N 2.91Å; V136-H138 PolarHBondContact O-N 2.93Å; V136-Y140 WeakPolarHBondContact O-CB 3.25Å; V136-Y140 PolarHBondContact O-N 3.04Å; V136-M191 HydrophobicContact CG1-CG 3.58Å; V136-M191 HydrophobicContact CG1-SD 3.55Å; V136-M191 VanDerWaalsContact CG1-SD 3.55Å |
| 137 | A | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.7 | -43.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F134 L135 T141 V204 E207 A208 | F134-A137 WeakPolarHBondContact O-CB 3.46Å; F134-A137 PolarHBondContact O-N 2.68Å; F134-A137 VanDerWaalsContact O-N 3.14Å; L135-A137 VanDerWaalsContact C-N 3.26Å; L135-A137 PolarHBondContact O-N 3.41Å; A137-T141 WeakPolarHBondContact O-CB 3.03Å; A137-T141 PolarHBondContact O-N 3.14Å; A137-T141 PolarHBondContact O-OG1 3.48Å; A137-V204 HydrophobicContact CB-CG1 4.24Å; A137-E207 HydrophobicContact CB-CB 3.91Å; A137-E207 HydrophobicContact CB-CG 4.19Å; A137-A208 HydrophobicContact CB-CB 3.96Å |
| 138 | H | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -74.5 | -44 | -179.8 | -72.3 | -78.4 | 0 | 0 | 0 | 112.7 | L67 Y120 L124 I127 L135 V136 Y140 T141 R142 E207 A211 | L67-H138 HydrophobicContact CD1-CB 4.16Å; Y120-H138 AromaticContact CE2-CE1 3.48Å; Y120-H138 VanDerWaalsContact CE2-CE1 3.48Å; Y120-H138 WeakPolarHBondContact CE2-CE1 3.47Å; Y120-H138 AromaticContact CE2-ND1 3.25Å; Y120-H138 VanDerWaalsContact CE2-ND1 3.25Å; Y120-H138 WeakPolarHBondContact CE2-ND1 3.33Å; Y120-H138 AromaticContact CZ-ND1 3.62Å; Y120-H138 PolarHBondContact OH-ND1 3.24Å; Y120-H138 VanDerWaalsContact OH-ND1 3.08Å; L124-H138 HydrophobicContact CD2-CB 3.66Å; L124-H138 VanDerWaalsContact CD2-CG 3.48Å; I127-H138 WeakPolarHBondContact CD1-CD2 3.32Å; L135-H138 PolarHBondContact O-N 3.39Å; V136-H138 PolarHBondContact O-N 2.93Å; H138-Y140 VanDerWaalsContact C-N 3.34Å; H138-Y140 PolarHBondContact O-N 3.15Å; H138-T141 PolarHBondContact O-N 3.36Å; H138-R142 WeakPolarHBondContact O-CB 3.48Å; H138-R142 WeakPolarHBondContact O-CG 3.44Å; H138-R142 PolarHBondContact O-N 3.04Å; H138-E207 IonicContact CE1-OE1 3.2Å; H138-E207 VanDerWaalsContact NE2-CG 3.34Å; H138-E207 WeakPolarHBondContact NE2-CG 3.35Å; H138-E207 IonicContact NE2-OE1 3.87Å; H138-E207 PolarHBondContact NE2-OE1 2.96Å; H138-E207 VanDerWaalsContact NE2-OE1 3.14Å; H138-A211 WeakPolarHBondContact ND1-CB 3.36Å |
| 139 | A | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.4 | -44.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | M71 I83 L135 Y143 Y187 | M71-A139 HydrophobicContact CE-CB 4.28Å; M71-A139 HydrophobicContact SD-CB 4.2Å; I83-A139 HydrophobicContact CD1-CB 4.04Å; L135-A139 WeakPolarHBondContact O-CB 3.43Å; L135-A139 PolarHBondContact O-N 3.35Å; A139-Y143 HydrophobicContact CB-CD2 3.87Å; A139-Y143 HydrophobicContact CB-CE2 3.91Å; A139-Y143 WeakPolarHBondContact O-CB 3.5Å; A139-Y143 VanDerWaalsContact O-CD2 3.23Å; A139-Y143 WeakPolarHBondContact O-CD2 3.45Å; A139-Y143 PolarHBondContact O-N 2.75Å; A139-Y187 VanDerWaalsContact CB-OH 3.28Å; A139-Y187 WeakPolarHBondContact CB-OH 3.47Å |
| 140 | Y | 97.9 | Very high | 97.5 | Very high | 19 Ų | 19 | 20 Ų | 20 | 8% | 0.075 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -56 | -53.8 | 172 | 175.5 | -86.9 | 0 | 0 | 0 | 111.4 | I23 V136 H138 R142 L144 M191 | I23-Y140 HydrophobicContact CB-CE1 4.35Å; I23-Y140 HydrophobicContact CG2-CD1 3.43Å; I23-Y140 VanDerWaalsContact CG2-CD1 3.43Å; I23-Y140 HydrophobicContact CG2-CE1 3.32Å; I23-Y140 HydrophobicContact CG2-CG 4.13Å; V136-Y140 WeakPolarHBondContact O-CB 3.25Å; V136-Y140 PolarHBondContact O-N 3.04Å; H138-Y140 VanDerWaalsContact C-N 3.34Å; H138-Y140 PolarHBondContact O-N 3.15Å; Y140-R142 VanDerWaalsContact C-N 3.3Å; Y140-R142 PolarHBondContact O-N 3.11Å; Y140-L144 HydrophobicContact CD2-CD2 3.32Å; Y140-L144 HydrophobicContact CE2-CD2 3.26Å; Y140-L144 HydrophobicContact CG-CD2 4.17Å; Y140-L144 WeakPolarHBondContact O-CB 3.34Å; Y140-L144 PolarHBondContact O-N 2.84Å; Y140-M191 HydrophobicContact CD2-CE 3.39Å; Y140-M191 HydrophobicContact CD2-SD 3.65Å; Y140-M191 HydrophobicContact CE2-CE 3.7Å; Y140-M191 HydrophobicContact CG-CE 4.35Å; Y140-M191 HydrophobicContact CG-SD 4.2Å |
| 141 | T | 97.4 | Very high | 97.2 | Very high | 14 Ų | 14 | 17.9 Ų | 17.9 | 9% | 0.086 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.7 | -40.6 | -174.4 | -61.7 | 0 | 0 | 0 | 0 | 111.9 | A137 H138 A211 F212 | A137-T141 WeakPolarHBondContact O-CB 3.03Å; A137-T141 PolarHBondContact O-N 3.14Å; A137-T141 PolarHBondContact O-OG1 3.48Å; H138-T141 PolarHBondContact O-N 3.36Å; T141-A211 HydrophobicContact CG2-CB 4.03Å; T141-F212 HydrophobicContact CG2-CD2 3.76Å; T141-F212 HydrophobicContact CG2-CE1 4.44Å; T141-F212 HydrophobicContact CG2-CE2 3.62Å; T141-F212 HydrophobicContact CG2-CG 4.23Å; T141-F212 HydrophobicContact CG2-CZ 3.99Å |
| 142 | R | 98.4 | Very high | 97 | Very high | 21 Ų | 21 | 18.8 Ų | 18.8 | 8% | 0.079 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -79 | -65.5 | -178.6 | -69.5 | -55 | -49.8 | 162.3 | 15.2 | 112 | Y64 L67 H138 Y140 L144 G145 D146 N215 | Y64-R142 HydrophobicContact CE1-CB 4.33Å; Y64-R142 PolarHBondContact OH-NE 3Å; Y64-R142 PolarHBondContact OH-NH2 3.38Å; L67-R142 HydrophobicContact CD2-CB 4.32Å; L67-R142 HydrophobicContact CD2-CG 4.34Å; H138-R142 WeakPolarHBondContact O-CB 3.48Å; H138-R142 WeakPolarHBondContact O-CG 3.44Å; H138-R142 PolarHBondContact O-N 3.04Å; Y140-R142 VanDerWaalsContact C-N 3.3Å; Y140-R142 PolarHBondContact O-N 3.11Å; R142-L144 PolarHBondContact O-N 2.84Å; R142-G145 WeakPolarHBondContact O-CA 3.25Å; R142-G145 PolarHBondContact O-N 3.17Å; R142-G145 VanDerWaalsContact O-N 3.12Å; R142-D146 IonicContact NH2-OD1 3.93Å; R142-D146 PolarHBondContact NH2-OD1 3.42Å; R142-D146 PolarHBondContact O-N 3.31Å; R142-N215 PolarHBondContact NH1-OD1 3.08Å |
| 143 | Y | 98.6 | Very high | 96.8 | Very high | 10 Ų | 10 | 19.9 Ų | 19.9 | 4% | 0.039 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.5 | -39.5 | -169.1 | -62.8 | -54 | 0 | 0 | 0 | 113.3 | Y64 L67 E68 L89 R91 A139 G145 D146 L147 | Y64-Y143 HydrophobicContact CD1-CE1 4.05Å; Y64-Y143 HydrophobicContact CE1-CD1 4.01Å; Y64-Y143 AromaticContact CE1-CE1 3.59Å; Y64-Y143 HydrophobicContact CE1-CE1 3.59Å; L67-Y143 HydrophobicContact CD2-CE2 4.12Å; E68-Y143 WeakPolarHBondContact CG-OH 3.19Å; E68-Y143 PolarHBondContact OE1-OH 2.98Å; L89-Y143 HydrophobicContact CB-CD1 3.86Å; L89-Y143 HydrophobicContact CB-CD2 4.45Å; L89-Y143 HydrophobicContact CB-CE1 3.93Å; L89-Y143 HydrophobicContact CB-CG 4.14Å; L89-Y143 HydrophobicContact CD1-CD1 4.42Å; L89-Y143 HydrophobicContact CD1-CD2 3.87Å; L89-Y143 HydrophobicContact CD1-CE2 4.46Å; L89-Y143 HydrophobicContact CD1-CG 3.85Å; L89-Y143 HydrophobicContact CD2-CD1 4.47Å; L89-Y143 HydrophobicContact CD2-CG 4.41Å; L89-Y143 HydrophobicContact CG-CG 4.39Å; L89-Y143 VanDerWaalsContact O-CE1 3.23Å; L89-Y143 WeakPolarHBondContact O-CE1 3.49Å; R91-Y143 HydrophobicContact CG-CE1 4.33Å; A139-Y143 HydrophobicContact CB-CD2 3.87Å; A139-Y143 HydrophobicContact CB-CE2 3.91Å; A139-Y143 WeakPolarHBondContact O-CB 3.5Å; A139-Y143 VanDerWaalsContact O-CD2 3.23Å; A139-Y143 WeakPolarHBondContact O-CD2 3.45Å; A139-Y143 PolarHBondContact O-N 2.75Å; Y143-G145 VanDerWaalsContact C-N 3.33Å; Y143-D146 PolarHBondContact O-N 3.44Å; Y143-L147 WeakPolarHBondContact O-CG 3.36Å; Y143-L147 PolarHBondContact O-N 3.36Å |
| 144 | L | 97.4 | Very high | 96.6 | Very high | 7 Ų | 7 | 19.4 Ų | 19.4 | 4% | 0.037 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -74.2 | -28 | 178.4 | -85.2 | 45.1 | 0 | 0 | 0 | 112.1 | Y140 R142 S148 K184 Y187 R188 | Y140-L144 HydrophobicContact CD2-CD2 3.32Å; Y140-L144 HydrophobicContact CE2-CD2 3.26Å; Y140-L144 HydrophobicContact CG-CD2 4.17Å; Y140-L144 WeakPolarHBondContact O-CB 3.34Å; Y140-L144 PolarHBondContact O-N 2.84Å; R142-L144 PolarHBondContact O-N 2.84Å; L144-S148 WeakPolarHBondContact O-CB 3.36Å; L144-S148 PolarHBondContact O-N 3.35Å; L144-S148 PolarHBondContact O-OG 3.3Å; L144-K184 HydrophobicContact CG-CG 4.19Å; L144-Y187 HydrophobicContact CD1-CD1 3.52Å; L144-Y187 HydrophobicContact CD1-CD2 4.25Å; L144-Y187 HydrophobicContact CD1-CE1 3.9Å; L144-Y187 HydrophobicContact CD1-CG 3.71Å; L144-Y187 HydrophobicContact CD2-CD1 4.03Å; L144-Y187 HydrophobicContact CD2-CE1 4.49Å; L144-Y187 HydrophobicContact CG-CD1 4.44Å; L144-R188 HydrophobicContact CD2-CG 4.27Å |
| 145 | G | 96.3 | Very high | 96.3 | Very high | 33 Ų | 33 | 26.2 Ų | 26.2 | 34% | 0.34 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -62.6 | -46.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | R142 Y143 L147 S148 G149 G150 | R142-G145 WeakPolarHBondContact O-CA 3.25Å; R142-G145 PolarHBondContact O-N 3.17Å; R142-G145 VanDerWaalsContact O-N 3.12Å; Y143-G145 VanDerWaalsContact C-N 3.33Å; G145-L147 PolarHBondContact O-N 3.39Å; G145-S148 CarbonylContact O-C 3.46Å; G145-S148 PolarHBondContact O-N 3.14Å; G145-G149 PolarHBondContact O-N 3.05Å; G145-G150 PolarHBondContact O-N 3.06Å |
| 146 | D | 98.1 | Very high | 96.1 | Very high | 9 Ų | 9 | 28 Ų | 28 | 5% | 0.048 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -65.4 | -39.5 | -179.7 | -53.8 | -35.1 | 0 | 0 | 0 | 112.7 | Y64 R142 Y143 S148 G150 Q151 F171 F174 | Y64-D146 PolarHBondContact OH-OD1 3.03Å; Y64-D146 PolarHBondContact OH-OD2 3.34Å; R142-D146 IonicContact NH2-OD1 3.93Å; R142-D146 PolarHBondContact NH2-OD1 3.42Å; R142-D146 PolarHBondContact O-N 3.31Å; Y143-D146 PolarHBondContact O-N 3.44Å; D146-S148 PolarHBondContact O-N 3.45Å; D146-G150 WeakPolarHBondContact O-CA 3.25Å; D146-Q151 PolarHBondContact O-N 3.34Å; D146-Q151 PolarHBondContact O-NE2 3.39Å; D146-Q151 VanDerWaalsContact O-NE2 3.1Å; D146-F171 WeakPolarHBondContact OD1-CZ 3.4Å; D146-F174 HydrophobicContact CB-CE2 4.05Å; D146-F174 HydrophobicContact CB-CZ 3.53Å |
| 147 | L | 97.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -76.7 | 0.1 | 174.2 | -69.3 | 176.2 | 0 | 0 | 0 | 113.6 | L89 Y143 G145 F174 V177 P180 F183 K184 | L89-L147 HydrophobicContact CD2-CD1 3.85Å; Y143-L147 WeakPolarHBondContact O-CG 3.36Å; Y143-L147 PolarHBondContact O-N 3.36Å; G145-L147 PolarHBondContact O-N 3.39Å; L147-F174 HydrophobicContact CD2-CB 4.21Å; L147-F174 HydrophobicContact CD2-CD1 3.61Å; L147-F174 HydrophobicContact CD2-CD2 3.82Å; L147-F174 HydrophobicContact CD2-CE1 3.87Å; L147-F174 HydrophobicContact CD2-CE2 4.09Å; L147-F174 HydrophobicContact CD2-CG 3.61Å; L147-F174 HydrophobicContact CD2-CZ 4.12Å; L147-F174 HydrophobicContact CG-CD1 4.34Å; L147-F174 HydrophobicContact CG-CE1 4.14Å; L147-F174 HydrophobicContact CG-CZ 4.34Å; L147-V177 HydrophobicContact CD2-CG1 4.29Å; L147-V177 HydrophobicContact CD2-CG2 4.45Å; L147-P180 HydrophobicContact CD2-CB 4.3Å; L147-F183 HydrophobicContact CD1-CD1 3.71Å; L147-F183 HydrophobicContact CD1-CE1 4.34Å; L147-K184 HydrophobicContact CB-CD 3.88Å; L147-K184 HydrophobicContact CB-CG 3.96Å; L147-K184 HydrophobicContact CD1-CG 4.13Å; L147-K184 PolarHBondContact O-NZ 3.08Å |
| 148 | S | 93.8 | Very high | 95.7 | Very high | 47 Ų | 47 | 30.9 Ų | 30.9 | 33% | 0.329 | 17% | 0.17 | S | C | . | . | I | π-helix | trans | -120.1 | -96.4 | 177.9 | -54.6 | 0 | 0 | 0 | 0 | 110.3 | L144 G145 D146 G150 Q151 K184 | L144-S148 WeakPolarHBondContact O-CB 3.36Å; L144-S148 PolarHBondContact O-N 3.35Å; L144-S148 PolarHBondContact O-OG 3.3Å; G145-S148 CarbonylContact O-C 3.46Å; G145-S148 PolarHBondContact O-N 3.14Å; D146-S148 PolarHBondContact O-N 3.45Å; S148-G150 VanDerWaalsContact C-N 3.25Å; S148-G150 PolarHBondContact O-N 3.2Å; S148-Q151 PolarHBondContact O-N 3.31Å; S148-K184 VanDerWaalsContact OG-CD 3.25Å; S148-K184 WeakPolarHBondContact OG-CD 3.42Å; S148-K184 PolarHBondContact OG-NZ 3.09Å |
| 149 | G | 92 | Very high | 95.5 | Very high | 36 Ų | 36 | 39.7 Ų | 39.7 | 37% | 0.371 | 21% | 0.209 | S | C | . | . | I | π-helix | trans | -62.6 | -32.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G145 Q151 V152 L153 | G145-G149 PolarHBondContact O-N 3.05Å; G149-Q151 PolarHBondContact O-N 3.29Å; G149-V152 WeakPolarHBondContact O-CB 3.44Å; G149-V152 PolarHBondContact O-N 2.87Å; G149-L153 WeakPolarHBondContact O-CG 3.44Å; G149-L153 PolarHBondContact O-N 3.37Å |
| 150 | G | 93.6 | Very high | 95.2 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 5% | 0.052 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -54.7 | -37.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | G145 D146 S148 V152 L153 G154 F172 | G145-G150 PolarHBondContact O-N 3.06Å; D146-G150 WeakPolarHBondContact O-CA 3.25Å; S148-G150 VanDerWaalsContact C-N 3.25Å; S148-G150 PolarHBondContact O-N 3.2Å; G150-V152 VanDerWaalsContact C-N 3.3Å; G150-V152 PolarHBondContact O-N 2.76Å; G150-L153 PolarHBondContact O-N 3.27Å; G150-G154 PolarHBondContact O-N 3.02Å; G150-F172 WeakPolarHBondContact O-CD1 3.4Å; G150-F172 WeakPolarHBondContact O-CE1 3.48Å |
| 151 | Q | 93.8 | Very high | 95 | Very high | 64 Ų | 64 | 42.4 Ų | 42.4 | 30% | 0.299 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66 | -32.5 | 177.8 | -58.7 | -56.1 | -62.8 | 0 | 0 | 112.8 | D146 S148 G149 R155 F172 | D146-Q151 PolarHBondContact O-N 3.34Å; D146-Q151 PolarHBondContact O-NE2 3.39Å; D146-Q151 VanDerWaalsContact O-NE2 3.1Å; S148-Q151 PolarHBondContact O-N 3.31Å; G149-Q151 PolarHBondContact O-N 3.29Å; Q151-R155 PolarHBondContact O-NE 2.97Å; Q151-F172 PolarHBondContact NE2-O 3.4Å |
| 152 | V | 94.1 | Very high | 94.7 | Very high | 70 Ų | 70 | 44.9 Ų | 44.9 | 42% | 0.424 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -75.3 | -45.7 | 173.8 | -178.3 | 0 | 0 | 0 | 0 | 109.7 | G149 G150 G154 R155 I156 | G149-V152 WeakPolarHBondContact O-CB 3.44Å; G149-V152 PolarHBondContact O-N 2.87Å; G150-V152 VanDerWaalsContact C-N 3.3Å; G150-V152 PolarHBondContact O-N 2.76Å; V152-G154 VanDerWaalsContact C-N 3.32Å; V152-G154 PolarHBondContact O-N 3.33Å; V152-R155 PolarHBondContact O-N 3.4Å; V152-I156 HydrophobicContact CG1-CD1 3.92Å; V152-I156 HydrophobicContact CG1-CG1 4.47Å; V152-I156 WeakPolarHBondContact O-CG1 3.42Å; V152-I156 PolarHBondContact O-N 3.19Å |
| 153 | L | 93.4 | Very high | 94.4 | Very high | 40 Ų | 40 | 45 Ų | 45 | 21% | 0.209 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.6 | -40.3 | 179.5 | -66.4 | 176.4 | 0 | 0 | 0 | 112.4 | M40 F43 G149 G150 R155 I156 A157 F172 | M40-L153 HydrophobicContact SD-CD1 4.25Å; F43-L153 HydrophobicContact CB-CD2 3.63Å; F43-L153 HydrophobicContact CD1-CB 4.46Å; F43-L153 HydrophobicContact CD1-CD2 4.07Å; F43-L153 HydrophobicContact CG-CD2 4.02Å; G149-L153 WeakPolarHBondContact O-CG 3.44Å; G149-L153 PolarHBondContact O-N 3.37Å; G150-L153 PolarHBondContact O-N 3.27Å; L153-R155 PolarHBondContact O-N 3.27Å; L153-I156 PolarHBondContact O-N 3.39Å; L153-A157 VanDerWaalsContact O-CB 3.31Å; L153-A157 WeakPolarHBondContact O-CB 3.33Å; L153-A157 PolarHBondContact O-N 3.26Å; L153-F172 HydrophobicContact CB-CE1 4.18Å |
| 154 | G | 93.8 | Very high | 93.8 | Very high | 7 Ų | 7 | 51.7 Ų | 51.7 | 7% | 0.072 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | G150 V152 A157 Q158 F172 | G150-G154 PolarHBondContact O-N 3.02Å; V152-G154 VanDerWaalsContact C-N 3.32Å; V152-G154 PolarHBondContact O-N 3.33Å; G154-A157 PolarHBondContact O-N 3.03Å; G154-Q158 WeakPolarHBondContact O-CB 3.49Å; G154-Q158 PolarHBondContact O-N 3.06Å; G154-F172 VanDerWaalsContact CA-CD2 3.47Å |
| 155 | R | 93.9 | Very high | 92.9 | Very high | 165 Ų | 165 | 56.5 Ų | 56.5 | 62% | 0.623 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -65.2 | -39.5 | 175.1 | -71.1 | -175.6 | -71.9 | 166.4 | -2.2 | 112.2 | Q151 V152 L153 K159 | Q151-R155 PolarHBondContact O-NE 2.97Å; V152-R155 PolarHBondContact O-N 3.4Å; L153-R155 PolarHBondContact O-N 3.27Å; R155-K159 PolarHBondContact O-N 2.97Å; R155-K159 VanDerWaalsContact O-N 3.15Å |
| 156 | I | 94.3 | Very high | 91.7 | Very high | 38 Ų | 38 | 57 Ų | 57 | 20% | 0.195 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.9 | -41.4 | 177 | -60.8 | 165.9 | 0 | 0 | 0 | 111 | F43 V152 L153 Q158 K159 S160 | F43-I156 WeakPolarHBondContact O-CG2 3.08Å; V152-I156 HydrophobicContact CG1-CD1 3.92Å; V152-I156 HydrophobicContact CG1-CG1 4.47Å; V152-I156 WeakPolarHBondContact O-CG1 3.42Å; V152-I156 PolarHBondContact O-N 3.19Å; L153-I156 PolarHBondContact O-N 3.39Å; I156-Q158 VanDerWaalsContact C-N 3.34Å; I156-Q158 PolarHBondContact O-N 3.18Å; I156-K159 PolarHBondContact O-N 3.39Å; I156-S160 WeakPolarHBondContact CG2-OG 3.49Å; I156-S160 VanDerWaalsContact O-CB 3.29Å; I156-S160 WeakPolarHBondContact O-CB 3.46Å; I156-S160 PolarHBondContact O-N 2.63Å; I156-S160 PolarHBondContact O-OG 3.04Å |
| 157 | A | 93.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.7 | -48.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | F43 L153 G154 K159 S160 M161 L169 F172 | F43-A157 HydrophobicContact CE1-CB 4.09Å; L153-A157 VanDerWaalsContact O-CB 3.31Å; L153-A157 WeakPolarHBondContact O-CB 3.33Å; L153-A157 PolarHBondContact O-N 3.26Å; G154-A157 PolarHBondContact O-N 3.03Å; A157-K159 PolarHBondContact O-N 3.36Å; A157-S160 PolarHBondContact O-N 3.49Å; A157-M161 HydrophobicContact CB-CE 3.6Å; A157-M161 WeakPolarHBondContact O-CB 3.35Å; A157-M161 WeakPolarHBondContact O-CE 3.48Å; A157-M161 PolarHBondContact O-N 2.89Å; A157-M161 VanDerWaalsContact O-N 3.1Å; A157-L169 HydrophobicContact CB-CD2 3.83Å; A157-F172 HydrophobicContact CB-CE2 4.48Å |
| 158 | Q | 94.4 | Very high | 91.1 | Very high | 62 Ų | 62 | 60.8 Ų | 60.8 | 29% | 0.29 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -53.5 | -52.3 | 176.2 | -169 | -178.3 | 8.5 | 0 | 0 | 112 | G154 I156 G162 L163 L169 | G154-Q158 WeakPolarHBondContact O-CB 3.49Å; G154-Q158 PolarHBondContact O-N 3.06Å; I156-Q158 VanDerWaalsContact C-N 3.34Å; I156-Q158 PolarHBondContact O-N 3.18Å; Q158-G162 PolarHBondContact O-N 2.95Å; Q158-G162 VanDerWaalsContact O-N 3.08Å; Q158-L163 HydrophobicContact CG-CB 4.39Å; Q158-L163 WeakPolarHBondContact CG-O 3.36Å; Q158-L163 PolarHBondContact O-N 3.15Å; Q158-L169 HydrophobicContact CB-CD1 3.49Å; Q158-L169 VanDerWaalsContact CB-CD1 3.49Å; Q158-L169 HydrophobicContact CG-CD1 3.71Å |
| 159 | K | 93.8 | Very high | 91.2 | Very high | 185 Ų | 185 | 59.2 Ų | 59.2 | 80% | 0.804 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -66.8 | -47.7 | -177.2 | -174.9 | 179.5 | 177.9 | -177.5 | 0 | 112 | R155 I156 A157 M161 G162 | R155-K159 PolarHBondContact O-N 2.97Å; R155-K159 VanDerWaalsContact O-N 3.15Å; I156-K159 PolarHBondContact O-N 3.39Å; A157-K159 PolarHBondContact O-N 3.36Å; K159-M161 VanDerWaalsContact C-N 3.29Å; K159-M161 PolarHBondContact O-N 3.36Å; K159-G162 PolarHBondContact O-N 3.33Å |
| 160 | S | 93.5 | Very high | 91.5 | Very high | 41 Ų | 41 | 58.1 Ų | 58.1 | 29% | 0.287 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.8 | -35 | -175.2 | -52 | 0 | 0 | 0 | 0 | 112.4 | G46 I156 A157 | G46-S160 VanDerWaalsContact CA-OG 3.28Å; G46-S160 WeakPolarHBondContact CA-OG 3.24Å; G46-S160 PolarHBondContact O-OG 3.19Å; I156-S160 WeakPolarHBondContact CG2-OG 3.49Å; I156-S160 VanDerWaalsContact O-CB 3.29Å; I156-S160 WeakPolarHBondContact O-CB 3.46Å; I156-S160 PolarHBondContact O-N 2.63Å; I156-S160 PolarHBondContact O-OG 3.04Å; A157-S160 PolarHBondContact O-N 3.49Å |
| 161 | M | 93.1 | Very high | 91.7 | Very high | 35 Ų | 35 | 58.2 Ų | 58.2 | 17% | 0.172 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -101.6 | 1.6 | -176.9 | -64.7 | 178.5 | -71.9 | 0 | 0 | 113.7 | L50 Y53 A157 K159 L163 | L50-M161 HydrophobicContact CB-SD 4.22Å; L50-M161 HydrophobicContact CD1-SD 3.88Å; Y53-M161 HydrophobicContact CD1-CE 3.45Å; Y53-M161 VanDerWaalsContact CD1-CE 3.45Å; Y53-M161 HydrophobicContact CD1-SD 3.81Å; Y53-M161 HydrophobicContact CD2-CE 4.38Å; Y53-M161 HydrophobicContact CE1-CE 3.99Å; Y53-M161 HydrophobicContact CG-CE 3.65Å; Y53-M161 HydrophobicContact CG-SD 3.96Å; A157-M161 HydrophobicContact CB-CE 3.6Å; A157-M161 WeakPolarHBondContact O-CB 3.35Å; A157-M161 WeakPolarHBondContact O-CE 3.48Å; A157-M161 PolarHBondContact O-N 2.89Å; A157-M161 VanDerWaalsContact O-N 3.1Å; K159-M161 VanDerWaalsContact C-N 3.29Å; K159-M161 PolarHBondContact O-N 3.36Å; M161-L163 VanDerWaalsContact C-N 3.28Å; M161-L163 HydrophobicContact CB-CD1 4.34Å; M161-L163 HydrophobicContact CB-CD2 4.45Å; M161-L163 HydrophobicContact CB-CG 3.95Å; M161-L163 HydrophobicContact CE-CD1 3.84Å; M161-L163 PolarHBondContact O-N 2.77Å |
| 162 | G | 91.5 | Very high | 91.8 | Very high | 66 Ų | 66 | 56.1 Ų | 56.1 | 68% | 0.68 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 32.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q158 K159 | Q158-G162 PolarHBondContact O-N 2.95Å; Q158-G162 VanDerWaalsContact O-N 3.08Å; K159-G162 PolarHBondContact O-N 3.33Å |
| 163 | L | 91.1 | Very high | 91.9 | Very high | 22 Ų | 22 | 55.2 Ų | 55.2 | 12% | 0.115 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 139.9 | -177.7 | -61.9 | 175 | 0 | 0 | 0 | 111.2 | Y101 F102 Q158 M161 L169 | Y101-L163 HydrophobicContact CE1-CD2 4.28Å; F102-L163 HydrophobicContact CE1-CD2 4.06Å; F102-L163 HydrophobicContact CZ-CD1 4.08Å; F102-L163 HydrophobicContact CZ-CD2 4.23Å; Q158-L163 HydrophobicContact CG-CB 4.39Å; Q158-L163 WeakPolarHBondContact CG-O 3.36Å; Q158-L163 PolarHBondContact O-N 3.15Å; M161-L163 VanDerWaalsContact C-N 3.28Å; M161-L163 HydrophobicContact CB-CD1 4.34Å; M161-L163 HydrophobicContact CB-CD2 4.45Å; M161-L163 HydrophobicContact CB-CG 3.95Å; M161-L163 HydrophobicContact CE-CD1 3.84Å; M161-L163 PolarHBondContact O-N 2.77Å; L163-L169 HydrophobicContact CB-CD1 4.28Å; L163-L169 HydrophobicContact CD1-CD1 4.06Å; L163-L169 HydrophobicContact CD1-CD2 3.94Å; L163-L169 HydrophobicContact CD1-CG 3.82Å |
| 164 | K | 86.9 | Confident | 92.1 | Very high | 152 Ų | 152 | 54.2 Ų | 54.2 | 66% | 0.661 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 152.9 | 168.7 | -67.8 | -179.5 | -177.4 | 173.4 | 0 | 109.8 | G166 E167 | K164-G166 PolarHBondContact O-N 3.4Å; K164-E167 PolarHBondContact O-N 3.39Å |
| 165 | S | 77.8 | Confident | 92.1 | Very high | 108 Ų | 108 | 59.9 Ų | 59.9 | 76% | 0.755 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 122.1 | -178.1 | -165.5 | 0 | 0 | 0 | 0 | 111.4 | E167 | S165-E167 VanDerWaalsContact C-N 3.34Å; S165-E167 PolarHBondContact O-N 3Å |
| 166 | G | 72.4 | Confident | 92.2 | Very high | 44 Ų | 44 | 54 Ų | 54 | 45% | 0.454 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | -7.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | K164 | K164-G166 PolarHBondContact O-N 3.4Š|
| 167 | E | 88 | Confident | 92.4 | Very high | 87 Ų | 87 | 52.9 Ų | 52.9 | 41% | 0.407 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 126 | 176.5 | -70.9 | -178.6 | 173.5 | 0 | 0 | 110.9 | Y101 K164 S165 L169 | Y101-E167 HydrophobicContact CD2-CB 4.19Å; Y101-E167 HydrophobicContact CE1-CB 4.48Å; Y101-E167 HydrophobicContact CE2-CB 3.69Å; Y101-E167 HydrophobicContact CE2-CG 4.23Å; K164-E167 PolarHBondContact O-N 3.39Å; S165-E167 VanDerWaalsContact C-N 3.34Å; S165-E167 PolarHBondContact O-N 3Å; E167-L169 PolarHBondContact O-N 2.95Å |
| 168 | G | 94.8 | Very high | 92.4 | Very high | 2 Ų | 2 | 59 Ų | 59 | 2% | 0.021 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 20.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y53 D98 F102 | Y53-G168 VanDerWaalsContact CE1-O 3.25Å; Y53-G168 WeakPolarHBondContact CE1-O 3.37Å; Y53-G168 PolarHBondContact OH-O 3.4Å; Y53-G168 VanDerWaalsContact OH-O 3.06Å; D98-G168 VanDerWaalsContact CG-C 3.49Å; D98-G168 WeakPolarHBondContact OD1-CA 3.36Å; F102-G168 WeakPolarHBondContact CE2-O 3.38Å |
| 169 | L | 96.6 | Very high | 92.5 | Very high | 15 Ų | 15 | 57.8 Ų | 57.8 | 8% | 0.079 | 36% | 0.364 | C | S | . | . | trans | -136.3 | 15 | -179.5 | -66 | 168.5 | 0 | 0 | 0 | 112.6 | Y53 D98 A157 Q158 L163 E167 F171 F172 | Y53-L169 HydrophobicContact CE1-CD2 4.33Å; D98-L169 PolarHBondContact OD1-N 3.34Å; D98-L169 VanDerWaalsContact OD1-N 3.08Å; A157-L169 HydrophobicContact CB-CD2 3.83Å; Q158-L169 HydrophobicContact CB-CD1 3.49Å; Q158-L169 VanDerWaalsContact CB-CD1 3.49Å; Q158-L169 HydrophobicContact CG-CD1 3.71Å; L163-L169 HydrophobicContact CB-CD1 4.28Å; L163-L169 HydrophobicContact CD1-CD1 4.06Å; L163-L169 HydrophobicContact CD1-CD2 3.94Å; L163-L169 HydrophobicContact CD1-CG 3.82Å; E167-L169 PolarHBondContact O-N 2.95Å; L169-F171 PolarHBondContact O-N 3.37Å; L169-F172 HydrophobicContact CB-CD2 4.35Å; L169-F172 HydrophobicContact CD2-CD2 3.9Å; L169-F172 HydrophobicContact CD2-CE2 3.92Å; L169-F172 PolarHBondContact O-N 3.46Å; L169-F172 VanDerWaalsContact O-N 3.1Å | ||
| 170 | S | 97.3 | Very high | 92.6 | Very high | 13 Ų | 13 | 51 Ų | 51 | 9% | 0.091 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -58.7 | -31.6 | -176.9 | -45.3 | 0 | 0 | 0 | 0 | 112 | S94 K97 D98 F172 A173 | S94-S170 WeakPolarHBondContact CB-O 3.4Å; S94-S170 WeakPolarHBondContact O-CB 3.44Å; S94-S170 PolarHBondContact OG-O 2.83Å; K97-S170 WeakPolarHBondContact CD-OG 3.37Å; D98-S170 WeakPolarHBondContact OD1-CA 3.35Å; D98-S170 WeakPolarHBondContact OD1-CB 3.45Å; D98-S170 PolarHBondContact OD1-N 3.25Å; D98-S170 PolarHBondContact OD1-OG 3.07Å; D98-S170 PolarHBondContact OD2-N 3.49Å; S170-F172 PolarHBondContact O-N 2.82Å; S170-A173 PolarHBondContact O-N 3.05Å |
| 171 | F | 97.9 | Very high | 92.7 | Very high | 6 Ų | 6 | 54.1 Ų | 54.1 | 3% | 0.026 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -52.1 | -40.3 | 174.9 | 170.1 | -105.7 | 0 | 0 | 0 | 112.8 | L57 L60 Y64 R91 I95 D98 D146 L169 A173 | L57-F171 HydrophobicContact CD2-CB 4.44Å; L60-F171 HydrophobicContact CD1-CD1 4.26Å; L60-F171 HydrophobicContact CD1-CE1 3.89Å; L60-F171 HydrophobicContact CD1-CE2 4.22Å; L60-F171 HydrophobicContact CD1-CZ 3.87Å; Y64-F171 HydrophobicContact CD2-CE2 4.33Å; Y64-F171 AromaticContact CE2-CE2 3.73Å; Y64-F171 HydrophobicContact CE2-CE2 3.73Å; Y64-F171 HydrophobicContact CE2-CZ 4.12Å; Y64-F171 AromaticContact CZ-CE2 3.91Å; R91-F171 HydrophobicContact CB-CD2 4.16Å; R91-F171 HydrophobicContact CB-CE2 4.15Å; R91-F171 HydrophobicContact CG-CD2 4.18Å; R91-F171 HydrophobicContact CG-CE2 3.85Å; R91-F171 PolarHBondContact NH1-O 3.06Å; I95-F171 HydrophobicContact CD1-CD2 3.8Å; I95-F171 HydrophobicContact CD1-CE2 4.11Å; I95-F171 HydrophobicContact CG1-CB 4.23Å; I95-F171 HydrophobicContact CG1-CD2 3.53Å; I95-F171 HydrophobicContact CG1-CE2 4.34Å; I95-F171 HydrophobicContact CG1-CG 4.24Å; D98-F171 PolarHBondContact OD2-N 3.39Å; D146-F171 WeakPolarHBondContact OD1-CZ 3.4Å; L169-F171 PolarHBondContact O-N 3.37Å; F171-A173 VanDerWaalsContact C-N 3.28Å; F171-A173 PolarHBondContact O-N 3.37Å |
| 172 | F | 96.4 | Very high | 92.9 | Very high | 21 Ų | 21 | 57.7 Ų | 57.7 | 9% | 0.092 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -79.4 | -10.8 | -177.4 | -61 | -70.8 | 0 | 0 | 0 | 113.4 | Y53 G150 Q151 L153 G154 A157 L169 S170 F174 | Y53-F172 AromaticContact CE2-CE2 3.91Å; Y53-F172 HydrophobicContact CE2-CE2 3.91Å; Y53-F172 HydrophobicContact CE2-CZ 4.21Å; Y53-F172 AromaticContact CZ-CE2 3.98Å; Y53-F172 WeakPolarHBondContact OH-CE2 3.36Å; G150-F172 WeakPolarHBondContact O-CD1 3.4Å; G150-F172 WeakPolarHBondContact O-CE1 3.48Å; Q151-F172 PolarHBondContact NE2-O 3.4Å; L153-F172 HydrophobicContact CB-CE1 4.18Å; G154-F172 VanDerWaalsContact CA-CD2 3.47Å; A157-F172 HydrophobicContact CB-CE2 4.48Å; L169-F172 HydrophobicContact CB-CD2 4.35Å; L169-F172 HydrophobicContact CD2-CD2 3.9Å; L169-F172 HydrophobicContact CD2-CE2 3.92Å; L169-F172 PolarHBondContact O-N 3.46Å; L169-F172 VanDerWaalsContact O-N 3.1Å; S170-F172 PolarHBondContact O-N 2.82Å; F172-F174 WeakPolarHBondContact O-CD2 3.44Å |
| 173 | A | 95.1 | Very high | 93.3 | Very high | 51 Ų | 51 | 55.5 Ų | 55.5 | 42% | 0.421 | 34% | 0.343 | S | S | . | . | trans | -89.8 | 130.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R91 S170 F171 P175 | R91-A173 PolarHBondContact NH1-O 3.06Å; S170-A173 PolarHBondContact O-N 3.05Å; F171-A173 VanDerWaalsContact C-N 3.28Å; F171-A173 PolarHBondContact O-N 3.37Å; A173-P175 WeakPolarHBondContact O-CD 3.26Å | ||
| 174 | F | 97.2 | Very high | 93.6 | Very high | 19 Ų | 19 | 55.5 Ų | 55.5 | 8% | 0.083 | 34% | 0.342 | C | S | . | . | trans | -119.9 | 74.8 | 177.9 | -68.7 | -102.4 | 0 | 0 | 0 | 109.9 | E88 L89 R91 D146 L147 F172 G176 V177 | E88-F174 WeakPolarHBondContact O-CD1 3.4Å; L89-F174 HydrophobicContact CD2-CD1 4.3Å; L89-F174 HydrophobicContact CD2-CE1 4.12Å; R91-F174 VanDerWaalsContact NH1-CG 3.32Å; D146-F174 HydrophobicContact CB-CE2 4.05Å; D146-F174 HydrophobicContact CB-CZ 3.53Å; L147-F174 HydrophobicContact CD2-CB 4.21Å; L147-F174 HydrophobicContact CD2-CD1 3.61Å; L147-F174 HydrophobicContact CD2-CD2 3.82Å; L147-F174 HydrophobicContact CD2-CE1 3.87Å; L147-F174 HydrophobicContact CD2-CE2 4.09Å; L147-F174 HydrophobicContact CD2-CG 3.61Å; L147-F174 HydrophobicContact CD2-CZ 4.12Å; L147-F174 HydrophobicContact CG-CD1 4.34Å; L147-F174 HydrophobicContact CG-CE1 4.14Å; L147-F174 HydrophobicContact CG-CZ 4.34Å; F172-F174 WeakPolarHBondContact O-CD2 3.44Å; F174-G176 PolarHBondContact O-N 3.4Å; F174-V177 HydrophobicContact CB-CB 3.83Å; F174-V177 HydrophobicContact CB-CG2 3.95Å; F174-V177 HydrophobicContact CD1-CG2 4.3Å; F174-V177 PolarHBondContact O-N 3.32Å | ||
| 175 | P | 95.4 | Very high | 94.1 | Very high | 126 Ų | 126 | 53.9 Ų | 53.9 | 82% | 0.818 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -25.8 | -175.5 | 25.5 | -34.4 | 0 | 0 | 0 | 113.4 | A173 V177 | A173-P175 WeakPolarHBondContact O-CD 3.26Å; P175-V177 VanDerWaalsContact C-N 3.26Å; P175-V177 PolarHBondContact O-N 2.99Å |
| 176 | G | 95.6 | Very high | 95.1 | Very high | 41 Ų | 41 | 51.9 Ų | 51.9 | 42% | 0.423 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -6.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | E88 F174 | E88-G176 WeakPolarHBondContact CG-O 3.39Å; F174-G176 PolarHBondContact O-N 3.4Å |
| 177 | V | 97.4 | Very high | 96.3 | Very high | 14 Ų | 14 | 49.8 Ų | 49.8 | 9% | 0.085 | 30% | 0.296 | C | S | . | . | trans | -114 | 103.6 | -178.3 | 179.3 | 0 | 0 | 0 | 0 | 109.8 | E88 L147 F174 P175 F183 | E88-V177 HydrophobicContact CB-CG2 3.85Å; L147-V177 HydrophobicContact CD2-CG1 4.29Å; L147-V177 HydrophobicContact CD2-CG2 4.45Å; F174-V177 HydrophobicContact CB-CB 3.83Å; F174-V177 HydrophobicContact CB-CG2 3.95Å; F174-V177 HydrophobicContact CD1-CG2 4.3Å; F174-V177 PolarHBondContact O-N 3.32Å; P175-V177 VanDerWaalsContact C-N 3.26Å; P175-V177 PolarHBondContact O-N 2.99Å; V177-F183 HydrophobicContact CG1-CB 3.57Å; V177-F183 HydrophobicContact CG1-CD2 4.33Å; V177-F183 HydrophobicContact CG1-CG 3.93Å; V177-F183 HydrophobicContact CG2-CD1 4.31Å; V177-F183 HydrophobicContact CG2-CD2 4.07Å; V177-F183 HydrophobicContact CG2-CE2 4.36Å; V177-F183 HydrophobicContact CG2-CG 4.04Å | ||
| 178 | S | 94.5 | Very high | 96.8 | Very high | 130 Ų | 130 | 49.3 Ų | 49.3 | 91% | 0.909 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -69.3 | -35.4 | 179.3 | 57.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 179 | S | 96.4 | Very high | 97 | Very high | 36 Ų | 36 | 52.9 Ų | 52.9 | 25% | 0.252 | 32% | 0.315 | S | S | . | . | trans | -138.6 | 110 | 176.7 | 173.5 | 0 | 0 | 0 | 0 | 110.2 | N181 L182 F183 | S179-N181 PolarHBondContact O-N 2.93Å; S179-L182 PolarHBondContact O-N 2.96Å; S179-L182 PolarHBondContact OG-N 2.84Å; S179-F183 WeakPolarHBondContact O-CB 3.47Å; S179-F183 PolarHBondContact O-N 3.3Å | ||
| 180 | P | 95.4 | Very high | 97.1 | Very high | 42 Ų | 42 | 57.9 Ų | 57.9 | 27% | 0.273 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -56 | -35.1 | 177.5 | -28.6 | 35.9 | 0 | 0 | 0 | 113.2 | L147 K184 | L147-P180 HydrophobicContact CD2-CB 4.3Å; P180-K184 WeakPolarHBondContact O-CB 3.1Å; P180-K184 VanDerWaalsContact O-CE 3.32Å; P180-K184 WeakPolarHBondContact O-CE 3.34Å; P180-K184 WeakPolarHBondContact O-CG 3.48Å; P180-K184 PolarHBondContact O-N 2.92Å |
| 181 | N | 96.1 | Very high | 97.1 | Very high | 106 Ų | 106 | 57.2 Ų | 57.2 | 57% | 0.567 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -70.3 | -47.9 | -179.5 | -72.6 | -17.4 | 0 | 0 | 0 | 112.1 | S179 F183 K184 Q185 | S179-N181 PolarHBondContact O-N 2.93Å; N181-F183 VanDerWaalsContact C-N 3.32Å; N181-F183 PolarHBondContact O-N 3Å; N181-K184 PolarHBondContact O-N 3.5Å; N181-K184 PolarHBondContact OD1-NZ 3.38Å; N181-Q185 WeakPolarHBondContact O-CG 3.23Å; N181-Q185 PolarHBondContact O-N 2.94Å; N181-Q185 VanDerWaalsContact O-N 3.13Å |
| 182 | L | 97.9 | Very high | 97.1 | Very high | 111 Ų | 111 | 58.8 Ų | 58.8 | 58% | 0.581 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -64.3 | -40.1 | 177.2 | -66 | 176.8 | 0 | 0 | 0 | 111 | S179 K184 Q185 L186 | S179-L182 PolarHBondContact O-N 2.96Å; S179-L182 PolarHBondContact OG-N 2.84Å; L182-K184 PolarHBondContact O-N 3.23Å; L182-Q185 WeakPolarHBondContact O-CB 3.16Å; L182-Q185 PolarHBondContact O-N 3.36Å; L182-L186 PolarHBondContact O-N 2.87Å |
| 183 | F | 98.4 | Very high | 97.1 | Very high | 19 Ų | 19 | 61.2 Ų | 61.2 | 8% | 0.083 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.2 | -39.5 | 178.8 | -165.3 | -85.4 | 0 | 0 | 0 | 112.3 | F85 E88 L89 L147 V177 S179 N181 Q185 L186 Y187 | F85-F183 HydrophobicContact CB-CZ 3.93Å; F85-F183 HydrophobicContact CD1-CE2 4.46Å; F85-F183 HydrophobicContact CD1-CZ 4.13Å; F85-F183 HydrophobicContact CD2-CZ 4.26Å; F85-F183 AromaticContact CG-CZ 3.85Å; F85-F183 HydrophobicContact CG-CZ 3.85Å; E88-F183 HydrophobicContact CB-CE2 3.7Å; E88-F183 HydrophobicContact CB-CZ 3.65Å; E88-F183 HydrophobicContact CG-CE2 3.67Å; E88-F183 HydrophobicContact CG-CZ 4.09Å; L89-F183 HydrophobicContact CD1-CE1 3.93Å; L89-F183 HydrophobicContact CD1-CZ 4.37Å; L89-F183 HydrophobicContact CD2-CD1 4.29Å; L89-F183 HydrophobicContact CD2-CE1 3.62Å; L89-F183 HydrophobicContact CD2-CZ 4.26Å; L89-F183 HydrophobicContact CG-CE1 3.81Å; L89-F183 HydrophobicContact CG-CZ 4.08Å; L147-F183 HydrophobicContact CD1-CD1 3.71Å; L147-F183 HydrophobicContact CD1-CE1 4.34Å; V177-F183 HydrophobicContact CG1-CB 3.57Å; V177-F183 HydrophobicContact CG1-CD2 4.33Å; V177-F183 HydrophobicContact CG1-CG 3.93Å; V177-F183 HydrophobicContact CG2-CD1 4.31Å; V177-F183 HydrophobicContact CG2-CD2 4.07Å; V177-F183 HydrophobicContact CG2-CE2 4.36Å; V177-F183 HydrophobicContact CG2-CG 4.04Å; S179-F183 WeakPolarHBondContact O-CB 3.47Å; S179-F183 PolarHBondContact O-N 3.3Å; N181-F183 VanDerWaalsContact C-N 3.32Å; N181-F183 PolarHBondContact O-N 3Å; F183-Q185 VanDerWaalsContact C-N 3.31Å; F183-Q185 PolarHBondContact O-N 3.48Å; F183-L186 HydrophobicContact CD2-CD2 4.42Å; F183-L186 HydrophobicContact CE2-CD2 4.41Å; F183-L186 WeakPolarHBondContact O-CB 3.42Å; F183-L186 PolarHBondContact O-N 3.2Å; F183-Y187 HydrophobicContact CE1-CD2 4.24Å; F183-Y187 WeakPolarHBondContact O-CB 3.31Å; F183-Y187 PolarHBondContact O-N 3.09Å |
| 184 | K | 97.9 | Very high | 97.2 | Very high | 22 Ų | 22 | 59 Ų | 59 | 10% | 0.096 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.7 | -34.9 | 173.3 | -73.7 | -179.2 | -57.9 | -161.8 | 0 | 112.6 | L144 L147 S148 P180 N181 L182 R188 | L144-K184 HydrophobicContact CG-CG 4.19Å; L147-K184 HydrophobicContact CB-CD 3.88Å; L147-K184 HydrophobicContact CB-CG 3.96Å; L147-K184 HydrophobicContact CD1-CG 4.13Å; L147-K184 PolarHBondContact O-NZ 3.08Å; S148-K184 VanDerWaalsContact OG-CD 3.25Å; S148-K184 WeakPolarHBondContact OG-CD 3.42Å; S148-K184 PolarHBondContact OG-NZ 3.09Å; P180-K184 WeakPolarHBondContact O-CB 3.1Å; P180-K184 VanDerWaalsContact O-CE 3.32Å; P180-K184 WeakPolarHBondContact O-CE 3.34Å; P180-K184 WeakPolarHBondContact O-CG 3.48Å; P180-K184 PolarHBondContact O-N 2.92Å; N181-K184 PolarHBondContact O-N 3.5Å; N181-K184 PolarHBondContact OD1-NZ 3.38Å; L182-K184 PolarHBondContact O-N 3.23Å; K184-R188 VanDerWaalsContact O-CG 3.32Å; K184-R188 WeakPolarHBondContact O-CG 3.39Å; K184-R188 PolarHBondContact O-N 2.94Å; K184-R188 VanDerWaalsContact O-N 3.07Å |
| 185 | Q | 98 | Very high | 97.1 | Very high | 118 Ų | 118 | 67.1 Ų | 67.1 | 55% | 0.551 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -66.8 | -47.2 | 174 | -71.1 | 172.5 | -2 | 0 | 0 | 111 | N181 L182 F183 Y187 R188 S189 | N181-Q185 WeakPolarHBondContact O-CG 3.23Å; N181-Q185 PolarHBondContact O-N 2.94Å; N181-Q185 VanDerWaalsContact O-N 3.13Å; L182-Q185 WeakPolarHBondContact O-CB 3.16Å; L182-Q185 PolarHBondContact O-N 3.36Å; F183-Q185 VanDerWaalsContact C-N 3.31Å; F183-Q185 PolarHBondContact O-N 3.48Å; Q185-Y187 PolarHBondContact O-N 3.39Å; Q185-R188 PolarHBondContact O-N 3.15Å; Q185-S189 PolarHBondContact O-N 3.04Å |
| 186 | L | 98.3 | Very high | 97.1 | Very high | 67 Ų | 67 | 62.5 Ų | 62.5 | 35% | 0.351 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -54.9 | -51.1 | 173.3 | 172.2 | 63.9 | 0 | 0 | 0 | 111.1 | L182 F183 R188 S189 R190 | L182-L186 PolarHBondContact O-N 2.87Å; F183-L186 HydrophobicContact CD2-CD2 4.42Å; F183-L186 HydrophobicContact CE2-CD2 4.41Å; F183-L186 WeakPolarHBondContact O-CB 3.42Å; F183-L186 PolarHBondContact O-N 3.2Å; L186-R188 VanDerWaalsContact C-N 3.34Å; L186-R188 PolarHBondContact O-N 2.85Å; L186-S189 WeakPolarHBondContact O-CB 3.48Å; L186-S189 PolarHBondContact O-N 2.76Å; L186-R190 HydrophobicContact CD1-CG 4.11Å; L186-R190 HydrophobicContact CG-CG 4.47Å; L186-R190 VanDerWaalsContact O-CG 3.29Å; L186-R190 WeakPolarHBondContact O-CG 3.43Å; L186-R190 PolarHBondContact O-N 3.36Å |
| 187 | Y | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.5 | -44.1 | -178.5 | -167.4 | -78.6 | 0 | 0 | 0 | 111.8 | I83 F85 L89 A139 L144 F183 Q185 R190 M191 | I83-Y187 HydrophobicContact CB-CE1 4.43Å; I83-Y187 HydrophobicContact CB-CE2 4.09Å; I83-Y187 WeakPolarHBondContact CD1-OH 3.39Å; I83-Y187 HydrophobicContact CG2-CE1 4.25Å; F85-Y187 AromaticContact CD2-CD2 3.94Å; F85-Y187 HydrophobicContact CD2-CD2 3.94Å; F85-Y187 HydrophobicContact CD2-CE2 4.16Å; F85-Y187 HydrophobicContact CE2-CD2 4.23Å; L89-Y187 HydrophobicContact CD1-CD2 3.82Å; L89-Y187 HydrophobicContact CD1-CE2 3.51Å; A139-Y187 VanDerWaalsContact CB-OH 3.28Å; A139-Y187 WeakPolarHBondContact CB-OH 3.47Å; L144-Y187 HydrophobicContact CD1-CD1 3.52Å; L144-Y187 HydrophobicContact CD1-CD2 4.25Å; L144-Y187 HydrophobicContact CD1-CE1 3.9Å; L144-Y187 HydrophobicContact CD1-CG 3.71Å; L144-Y187 HydrophobicContact CD2-CD1 4.03Å; L144-Y187 HydrophobicContact CD2-CE1 4.49Å; L144-Y187 HydrophobicContact CG-CD1 4.44Å; F183-Y187 HydrophobicContact CE1-CD2 4.24Å; F183-Y187 WeakPolarHBondContact O-CB 3.31Å; F183-Y187 PolarHBondContact O-N 3.09Å; Q185-Y187 PolarHBondContact O-N 3.39Å; Y187-R190 PolarHBondContact O-N 3.08Å; Y187-M191 WeakPolarHBondContact O-CB 3.43Å; Y187-M191 PolarHBondContact O-N 3.08Å |
| 188 | R | 98.3 | Very high | 97.1 | Very high | 76 Ų | 76 | 65.6 Ų | 65.6 | 29% | 0.287 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 175.6 | -73.2 | -177.7 | -170.9 | 109.7 | -0.1 | 112.1 | L144 K184 Q185 L186 R190 M191 N192 | L144-R188 HydrophobicContact CD2-CG 4.27Å; K184-R188 VanDerWaalsContact O-CG 3.32Å; K184-R188 WeakPolarHBondContact O-CG 3.39Å; K184-R188 PolarHBondContact O-N 2.94Å; K184-R188 VanDerWaalsContact O-N 3.07Å; Q185-R188 PolarHBondContact O-N 3.15Å; L186-R188 VanDerWaalsContact C-N 3.34Å; L186-R188 PolarHBondContact O-N 2.85Å; R188-R190 VanDerWaalsContact C-N 3.32Å; R188-R190 PolarHBondContact O-N 3.48Å; R188-M191 PolarHBondContact O-N 2.8Å; R188-N192 WeakPolarHBondContact O-CB 3.42Å; R188-N192 PolarHBondContact O-N 3.45Å; R188-N192 PolarHBondContact O-ND2 2.6Å; R188-N192 PolarHBondContact O-OD1 3.02Å |
| 189 | S | 98.2 | Very high | 97.2 | Very high | 77 Ų | 77 | 66.2 Ų | 66.2 | 54% | 0.538 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.6 | -42.9 | 176.1 | 173 | 0 | 0 | 0 | 0 | 111.8 | Q185 L186 N192 S193 | Q185-S189 PolarHBondContact O-N 3.04Å; L186-S189 WeakPolarHBondContact O-CB 3.48Å; L186-S189 PolarHBondContact O-N 2.76Å; S189-N192 PolarHBondContact O-N 3.18Å; S189-S193 PolarHBondContact O-N 2.88Å |
| 190 | R | 98.4 | Very high | 97.2 | Very high | 120 Ų | 120 | 67.6 Ų | 67.6 | 45% | 0.453 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 175.2 | -66.5 | -70.5 | -179 | 176.5 | 2.8 | 112.6 | P82 I83 F85 L186 Y187 R188 N192 S193 | P82-R190 HydrophobicContact CB-CB 4.49Å; P82-R190 VanDerWaalsContact O-CB 3.26Å; P82-R190 WeakPolarHBondContact O-CB 3.41Å; I83-R190 HydrophobicContact CG2-CB 4.42Å; F85-R190 HydrophobicContact CE2-CG 4.25Å; F85-R190 HydrophobicContact CZ-CG 3.98Å; L186-R190 HydrophobicContact CD1-CG 4.11Å; L186-R190 HydrophobicContact CG-CG 4.47Å; L186-R190 VanDerWaalsContact O-CG 3.29Å; L186-R190 WeakPolarHBondContact O-CG 3.43Å; L186-R190 PolarHBondContact O-N 3.36Å; Y187-R190 PolarHBondContact O-N 3.08Å; R188-R190 VanDerWaalsContact C-N 3.32Å; R188-R190 PolarHBondContact O-N 3.48Å; R190-N192 VanDerWaalsContact C-N 3.31Å; R190-N192 PolarHBondContact O-N 3.45Å; R190-S193 PolarHBondContact O-N 3.1Å; R190-S193 VanDerWaalsContact O-N 3.15Å; R190-S193 PolarHBondContact O-OG 3.4Å |
| 191 | M | 97.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.6 | -36.9 | 175.6 | -171.5 | 173.6 | 68.4 | 0 | 0 | 112.3 | L19 I23 I83 V136 Y140 Y187 R188 S193 V194 | L19-M191 HydrophobicContact CD2-CG 3.98Å; L19-M191 HydrophobicContact CG-CG 4.42Å; I23-M191 HydrophobicContact CD1-CE 4.1Å; I23-M191 HydrophobicContact CD1-SD 3.96Å; I83-M191 HydrophobicContact CG2-CB 4.01Å; V136-M191 HydrophobicContact CG1-CG 3.58Å; V136-M191 HydrophobicContact CG1-SD 3.55Å; V136-M191 VanDerWaalsContact CG1-SD 3.55Å; Y140-M191 HydrophobicContact CD2-CE 3.39Å; Y140-M191 HydrophobicContact CD2-SD 3.65Å; Y140-M191 HydrophobicContact CE2-CE 3.7Å; Y140-M191 HydrophobicContact CG-CE 4.35Å; Y140-M191 HydrophobicContact CG-SD 4.2Å; Y187-M191 WeakPolarHBondContact O-CB 3.43Å; Y187-M191 PolarHBondContact O-N 3.08Å; R188-M191 PolarHBondContact O-N 2.8Å; M191-S193 PolarHBondContact O-N 3.22Å; M191-V194 WeakPolarHBondContact O-CB 3.31Å; M191-V194 WeakPolarHBondContact O-CG2 3.45Å; M191-V194 PolarHBondContact O-N 3.22Å |
| 192 | N | 97.7 | Very high | 97.4 | Very high | 39 Ų | 39 | 66.3 Ų | 66.3 | 21% | 0.209 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.8 | -22.2 | 176.4 | -64.9 | -14.7 | 0 | 0 | 0 | 112.7 | D18 L19 S20 R188 S189 R190 V194 | D18-N192 HydrophobicContact CB-CB 4.46Å; D18-N192 WeakPolarHBondContact CB-ND2 3.46Å; D18-N192 VanDerWaalsContact CG-CG 3.49Å; D18-N192 PolarHBondContact OD2-ND2 3.38Å; L19-N192 PolarHBondContact N-OD1 3.44Å; S20-N192 WeakPolarHBondContact CB-OD1 3.3Å; S20-N192 PolarHBondContact N-OD1 3.5Å; S20-N192 PolarHBondContact OG-ND2 3.03Å; S20-N192 PolarHBondContact OG-OD1 2.81Å; R188-N192 WeakPolarHBondContact O-CB 3.42Å; R188-N192 PolarHBondContact O-N 3.45Å; R188-N192 PolarHBondContact O-ND2 2.6Å; R188-N192 PolarHBondContact O-OD1 3.02Å; S189-N192 PolarHBondContact O-N 3.18Å; R190-N192 VanDerWaalsContact C-N 3.31Å; R190-N192 PolarHBondContact O-N 3.45Å; N192-V194 VanDerWaalsContact C-N 3.28Å; N192-V194 PolarHBondContact O-N 3.3Å |
| 193 | S | 96.8 | Very high | 97.5 | Very high | 72 Ų | 72 | 61.4 Ų | 61.4 | 50% | 0.503 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -4.3 | 175.1 | 72.2 | 0 | 0 | 0 | 0 | 114.4 | S189 R190 M191 E195 | S189-S193 PolarHBondContact O-N 2.88Å; R190-S193 PolarHBondContact O-N 3.1Å; R190-S193 VanDerWaalsContact O-N 3.15Å; R190-S193 PolarHBondContact O-OG 3.4Å; M191-S193 PolarHBondContact O-N 3.22Å; S193-E195 PolarHBondContact O-N 3.37Å |
| 194 | V | 96.7 | Very high | 97.5 | Very high | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.024 | 31% | 0.312 | C | S | . | . | trans | -72.1 | 117.9 | 177.3 | 177.6 | 0 | 0 | 0 | 0 | 109.6 | A79 P82 M191 N192 L196 | A79-V194 HydrophobicContact CB-CG1 3.69Å; P82-V194 HydrophobicContact CB-CG2 4.23Å; P82-V194 HydrophobicContact CG-CG2 4.07Å; M191-V194 WeakPolarHBondContact O-CB 3.31Å; M191-V194 WeakPolarHBondContact O-CG2 3.45Å; M191-V194 PolarHBondContact O-N 3.22Å; N192-V194 VanDerWaalsContact C-N 3.28Å; N192-V194 PolarHBondContact O-N 3.3Å; V194-L196 HydrophobicContact CG1-CD1 4.42Å; V194-L196 HydrophobicContact CG1-CD2 3.79Å; V194-L196 HydrophobicContact CG1-CG 3.89Å | ||
| 195 | E | 95.7 | Very high | 97.5 | Very high | 189 Ų | 189 | 60.4 Ų | 60.4 | 88% | 0.883 | 31% | 0.312 | S | S | * | . | trans | -79 | 120.7 | 174.9 | -63.1 | -176.2 | 168.9 | 0 | 0 | 109.7 | S193 | S193-E195 PolarHBondContact O-N 3.37Š| ||
| 196 | L | 96.4 | Very high | 97.5 | Very high | 29 Ų | 29 | 60.6 Ų | 60.6 | 15% | 0.152 | 31% | 0.313 | C | S | . | . | trans | -132.9 | 143.6 | 179 | -60.3 | 174.4 | 0 | 0 | 0 | 109.1 | L19 A79 E133 V194 E200 R201 V204 | L19-L196 HydrophobicContact CD2-CD1 3.94Å; A79-L196 HydrophobicContact CB-CD2 4.34Å; E133-L196 HydrophobicContact CB-CD2 4.08Å; V194-L196 HydrophobicContact CG1-CD1 4.42Å; V194-L196 HydrophobicContact CG1-CD2 3.79Å; V194-L196 HydrophobicContact CG1-CG 3.89Å; L196-E200 HydrophobicContact CB-CB 4.1Å; L196-E200 HydrophobicContact CD2-CB 4.11Å; L196-R201 HydrophobicContact CB-CB 4.23Å; L196-R201 HydrophobicContact CD1-CB 4.33Å; L196-V204 HydrophobicContact CD1-CG2 4.01Å | ||
| 197 | T | 96.4 | Very high | 97.6 | Very high | 70 Ų | 70 | 57.4 Ų | 57.4 | 43% | 0.429 | 30% | 0.296 | S | S | . | . | trans | -61.5 | 165.7 | 161.5 | 61.4 | 0 | 0 | 0 | 0 | 110.7 | E199 E200 R201 | T197-E199 VanDerWaalsContact C-N 3.26Å; T197-E199 PolarHBondContact O-N 2.69Å; T197-E200 WeakPolarHBondContact CB-OE2 3.19Å; T197-E200 WeakPolarHBondContact CG2-OE2 3.42Å; T197-E200 PolarHBondContact N-OE2 3.18Å; T197-E200 WeakPolarHBondContact OG1-CB 3.48Å; T197-E200 WeakPolarHBondContact OG1-CG 3.26Å; T197-E200 PolarHBondContact OG1-N 3.05Å; T197-E200 PolarHBondContact OG1-OE2 3.3Å; T197-R201 VanDerWaalsContact O-CB 3.28Å; T197-R201 WeakPolarHBondContact O-CB 3.39Å; T197-R201 PolarHBondContact O-N 3.38Å | ||
| 198 | A | 95.2 | Very high | 97.6 | Very high | 50 Ų | 50 | 57.4 Ų | 57.4 | 41% | 0.413 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.8 | -37.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | N202 | A198-N202 VanDerWaalsContact O-CG 3.24Å; A198-N202 PolarHBondContact O-N 3.31Å; A198-N202 PolarHBondContact O-ND2 3.15Å |
| 199 | E | 96.7 | Very high | 97.6 | Very high | 143 Ų | 143 | 56 Ų | 56 | 67% | 0.668 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -65.9 | -50.3 | 178.4 | -65.7 | 70.6 | -156.8 | 0 | 0 | 111.4 | T197 R201 N202 G203 | T197-E199 VanDerWaalsContact C-N 3.26Å; T197-E199 PolarHBondContact O-N 2.69Å; E199-R201 VanDerWaalsContact C-N 3.33Å; E199-R201 PolarHBondContact O-N 3.1Å; E199-N202 PolarHBondContact O-N 2.85Å; E199-G203 PolarHBondContact O-N 3.43Å |
| 200 | E | 97.7 | Very high | 97.6 | Very high | 66 Ų | 66 | 56.5 Ų | 56.5 | 31% | 0.308 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | 176.7 | -71.6 | 162.5 | 146 | 0 | 0 | 111.3 | E133 L196 T197 N202 G203 V204 | E133-E200 HydrophobicContact CG-CB 4.29Å; E133-E200 HydrophobicContact CG-CG 4.23Å; L196-E200 HydrophobicContact CB-CB 4.1Å; L196-E200 HydrophobicContact CD2-CB 4.11Å; T197-E200 WeakPolarHBondContact CB-OE2 3.19Å; T197-E200 WeakPolarHBondContact CG2-OE2 3.42Å; T197-E200 PolarHBondContact N-OE2 3.18Å; T197-E200 WeakPolarHBondContact OG1-CB 3.48Å; T197-E200 WeakPolarHBondContact OG1-CG 3.26Å; T197-E200 PolarHBondContact OG1-N 3.05Å; T197-E200 PolarHBondContact OG1-OE2 3.3Å; E200-N202 PolarHBondContact O-N 3.29Å; E200-G203 PolarHBondContact O-N 3.26Å; E200-V204 WeakPolarHBondContact O-CG2 3.44Å; E200-V204 PolarHBondContact O-N 3.11Å |
| 201 | R | 97.9 | Very high | 97.6 | Very high | 36 Ų | 36 | 50.8 Ų | 50.8 | 14% | 0.136 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58 | -49.5 | 177 | 179.7 | 178.4 | -62.7 | -89.1 | -8.6 | 111.3 | L19 L196 T197 E199 G203 V204 L205 | L19-R201 HydrophobicContact CD1-CG 4.35Å; L196-R201 HydrophobicContact CB-CB 4.23Å; L196-R201 HydrophobicContact CD1-CB 4.33Å; T197-R201 VanDerWaalsContact O-CB 3.28Å; T197-R201 WeakPolarHBondContact O-CB 3.39Å; T197-R201 PolarHBondContact O-N 3.38Å; E199-R201 VanDerWaalsContact C-N 3.33Å; E199-R201 PolarHBondContact O-N 3.1Å; R201-G203 VanDerWaalsContact C-N 3.29Å; R201-G203 PolarHBondContact O-N 3.4Å; R201-V204 PolarHBondContact O-N 3.29Å; R201-L205 WeakPolarHBondContact O-CG 3.29Å; R201-L205 PolarHBondContact O-N 2.91Å; R201-L205 VanDerWaalsContact O-N 3.07Å |
| 202 | N | 97.8 | Very high | 97.7 | Very high | 84 Ų | 84 | 51.7 Ų | 51.7 | 45% | 0.449 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 177.1 | -70.9 | -24.9 | 0 | 0 | 0 | 111.1 | A198 E199 E200 V204 L205 E206 | A198-N202 VanDerWaalsContact O-CG 3.24Å; A198-N202 PolarHBondContact O-N 3.31Å; A198-N202 PolarHBondContact O-ND2 3.15Å; E199-N202 PolarHBondContact O-N 2.85Å; E200-N202 PolarHBondContact O-N 3.29Å; N202-V204 PolarHBondContact O-N 3.46Å; N202-L205 PolarHBondContact O-N 3.08Å; N202-E206 WeakPolarHBondContact O-CG 3.35Å; N202-E206 PolarHBondContact O-N 2.93Å |
| 203 | G | 98.4 | Very high | 97.7 | Very high | 9 Ų | 9 | 52 Ų | 52 | 9% | 0.093 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.9 | -42.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | F134 E199 E200 R201 E206 E207 | F134-G203 VanDerWaalsContact CE1-C 3.42Å; E199-G203 PolarHBondContact O-N 3.43Å; E200-G203 PolarHBondContact O-N 3.26Å; R201-G203 VanDerWaalsContact C-N 3.29Å; R201-G203 PolarHBondContact O-N 3.4Å; G203-E206 PolarHBondContact O-N 3.18Å; G203-E207 WeakPolarHBondContact O-CB 3.39Å; G203-E207 PolarHBondContact O-N 3.12Å |
| 204 | V | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.3 | -42.5 | 174.9 | 169.7 | 0 | 0 | 0 | 0 | 111.3 | L19 I23 F134 A137 L196 E200 R201 N202 E207 A208 | L19-V204 HydrophobicContact CD1-CG1 4.19Å; I23-V204 HydrophobicContact CD1-CG1 4.01Å; F134-V204 HydrophobicContact CD1-CG2 3.73Å; F134-V204 HydrophobicContact CE1-CG2 4.22Å; A137-V204 HydrophobicContact CB-CG1 4.24Å; L196-V204 HydrophobicContact CD1-CG2 4.01Å; E200-V204 WeakPolarHBondContact O-CG2 3.44Å; E200-V204 PolarHBondContact O-N 3.11Å; R201-V204 PolarHBondContact O-N 3.29Å; N202-V204 PolarHBondContact O-N 3.46Å; V204-E207 PolarHBondContact O-N 3.44Å; V204-A208 WeakPolarHBondContact O-CB 3.49Å; V204-A208 PolarHBondContact O-N 3.38Å |
| 205 | L | 98.6 | Very high | 97.9 | Very high | 19 Ų | 19 | 49.8 Ų | 49.8 | 10% | 0.099 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.7 | -44.3 | 178.2 | -63.8 | -178.4 | 0 | 0 | 0 | 111.7 | L19 Q22 I23 V26 R201 N202 A208 V209 | L19-L205 HydrophobicContact CD1-CD2 4.2Å; Q22-L205 HydrophobicContact CB-CD1 4.26Å; Q22-L205 HydrophobicContact CB-CD2 3.66Å; I23-L205 HydrophobicContact CB-CD2 4.49Å; I23-L205 HydrophobicContact CG1-CD2 3.69Å; V26-L205 HydrophobicContact CG2-CB 4.24Å; V26-L205 HydrophobicContact CG2-CD2 4.2Å; R201-L205 WeakPolarHBondContact O-CG 3.29Å; R201-L205 PolarHBondContact O-N 2.91Å; R201-L205 VanDerWaalsContact O-N 3.07Å; N202-L205 PolarHBondContact O-N 3.08Å; L205-A208 PolarHBondContact O-N 3.47Å; L205-V209 PolarHBondContact O-N 3Å |
| 206 | E | 98.7 | Very high | 98 | Very high | 123 Ų | 123 | 41.5 Ų | 41.5 | 58% | 0.575 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -65.1 | -39.5 | 175.1 | -70.2 | 179 | -175.2 | 0 | 0 | 112.1 | N202 G203 A208 V209 R210 | N202-E206 WeakPolarHBondContact O-CG 3.35Å; N202-E206 PolarHBondContact O-N 2.93Å; G203-E206 PolarHBondContact O-N 3.18Å; E206-A208 VanDerWaalsContact C-N 3.31Å; E206-V209 PolarHBondContact O-N 3.5Å; E206-R210 WeakPolarHBondContact O-CG 3.46Å; E206-R210 PolarHBondContact O-N 3.25Å; E206-R210 PolarHBondContact O-NE 3.3Å |
| 207 | E | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66 | -34.9 | 175.2 | -161.9 | 72.7 | -150.7 | 0 | 0 | 111.5 | R123 F134 A137 H138 G203 V204 V209 R210 A211 | R123-E207 IonicContact CZ-OE1 3.58Å; R123-E207 IonicContact CZ-OE2 2.68Å; R123-E207 IonicContact NE-OE1 3.14Å; R123-E207 PolarHBondContact NE-OE1 3.13Å; R123-E207 IonicContact NE-OE2 2.81Å; R123-E207 PolarHBondContact NE-OE2 3.19Å; R123-E207 IonicContact NH2-OE1 2.84Å; R123-E207 IonicContact NH2-OE2 3.48Å; R123-E207 PolarHBondContact NH2-OE2 3.32Å; F134-E207 HydrophobicContact CB-CB 4.31Å; F134-E207 HydrophobicContact CB-CG 4.1Å; F134-E207 HydrophobicContact CG-CB 4.38Å; A137-E207 HydrophobicContact CB-CB 3.91Å; A137-E207 HydrophobicContact CB-CG 4.19Å; H138-E207 IonicContact CE1-OE1 3.2Å; H138-E207 VanDerWaalsContact NE2-CG 3.34Å; H138-E207 WeakPolarHBondContact NE2-CG 3.35Å; H138-E207 IonicContact NE2-OE1 3.87Å; H138-E207 PolarHBondContact NE2-OE1 2.96Å; H138-E207 VanDerWaalsContact NE2-OE1 3.14Å; G203-E207 WeakPolarHBondContact O-CB 3.39Å; G203-E207 PolarHBondContact O-N 3.12Å; V204-E207 PolarHBondContact O-N 3.44Å; E207-V209 VanDerWaalsContact C-N 3.34Å; E207-V209 PolarHBondContact O-N 2.91Å; E207-R210 CarbonylContact O-C 3.52Å; E207-R210 WeakPolarHBondContact O-CA 3.49Å; E207-R210 WeakPolarHBondContact O-CB 3.29Å; E207-R210 PolarHBondContact O-N 2.81Å; E207-R210 VanDerWaalsContact O-N 3.14Å; E207-R210 IonicContact OE2-CZ 2.93Å; E207-R210 IonicContact OE2-NE 3.15Å; E207-R210 PolarHBondContact OE2-NE 3.23Å; E207-R210 IonicContact OE2-NH1 3.64Å; E207-R210 PolarHBondContact OE2-NH1 2.91Å; E207-R210 VanDerWaalsContact OE2-NH1 3.15Å; E207-R210 IonicContact OE2-NH2 3.24Å; E207-R210 PolarHBondContact OE2-NH2 2.93Å; E207-A211 WeakPolarHBondContact O-CB 3.34Å; E207-A211 PolarHBondContact O-N 3.31Å |
| 208 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.1 | -42 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I23 T27 A137 V204 L205 E206 A211 F212 | I23-A208 HydrophobicContact CG1-CB 4.37Å; I23-A208 HydrophobicContact CG2-CB 3.82Å; T27-A208 HydrophobicContact CG2-CB 3.72Å; A137-A208 HydrophobicContact CB-CB 3.96Å; V204-A208 WeakPolarHBondContact O-CB 3.49Å; V204-A208 PolarHBondContact O-N 3.38Å; L205-A208 PolarHBondContact O-N 3.47Å; E206-A208 VanDerWaalsContact C-N 3.31Å; A208-A211 WeakPolarHBondContact O-CB 3.41Å; A208-A211 PolarHBondContact O-N 3.18Å; A208-F212 WeakPolarHBondContact O-CD2 3.35Å; A208-F212 PolarHBondContact O-N 3.37Å |
| 209 | V | 98.8 | Very high | 98.4 | Very high | 45 Ų | 45 | 38.6 Ų | 38.6 | 27% | 0.273 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.5 | -45.9 | 172.2 | 177.7 | 0 | 0 | 0 | 0 | 110.4 | V26 T27 L205 E206 E207 A211 F212 E213 | V26-V209 HydrophobicContact CB-CG2 4.31Å; V26-V209 HydrophobicContact CG2-CG2 4.15Å; T27-V209 HydrophobicContact CG2-CG2 4.4Å; L205-V209 PolarHBondContact O-N 3Å; E206-V209 PolarHBondContact O-N 3.5Å; E207-V209 VanDerWaalsContact C-N 3.34Å; E207-V209 PolarHBondContact O-N 2.91Å; V209-A211 VanDerWaalsContact C-N 3.3Å; V209-A211 PolarHBondContact O-N 3.03Å; V209-F212 PolarHBondContact O-N 3.31Å; V209-F212 VanDerWaalsContact O-N 3.15Å; V209-E213 PolarHBondContact O-N 2.88Å; V209-E213 VanDerWaalsContact O-N 3.08Å |
| 210 | R | 98.7 | Very high | 98.4 | Very high | 88 Ų | 88 | 34.8 Ų | 34.8 | 33% | 0.332 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -59.4 | -38.3 | 176.1 | -75 | -177.8 | -84.7 | 178.8 | -6.6 | 112.8 | R123 E206 E207 F212 E213 F214 | R123-R210 VanDerWaalsContact NH2-NH1 3.13Å; E206-R210 WeakPolarHBondContact O-CG 3.46Å; E206-R210 PolarHBondContact O-N 3.25Å; E206-R210 PolarHBondContact O-NE 3.3Å; E207-R210 CarbonylContact O-C 3.52Å; E207-R210 WeakPolarHBondContact O-CA 3.49Å; E207-R210 WeakPolarHBondContact O-CB 3.29Å; E207-R210 PolarHBondContact O-N 2.81Å; E207-R210 VanDerWaalsContact O-N 3.14Å; E207-R210 IonicContact OE2-CZ 2.93Å; E207-R210 IonicContact OE2-NE 3.15Å; E207-R210 PolarHBondContact OE2-NE 3.23Å; E207-R210 IonicContact OE2-NH1 3.64Å; E207-R210 PolarHBondContact OE2-NH1 2.91Å; E207-R210 VanDerWaalsContact OE2-NH1 3.15Å; E207-R210 IonicContact OE2-NH2 3.24Å; E207-R210 PolarHBondContact OE2-NH2 2.93Å; R210-F212 VanDerWaalsContact C-N 3.29Å; R210-F212 PolarHBondContact O-N 3.4Å; R210-E213 WeakPolarHBondContact O-CB 3.28Å; R210-E213 PolarHBondContact O-N 3.38Å; R210-E213 VanDerWaalsContact O-N 3.09Å; R210-F214 HydrophobicContact CB-CE2 4.34Å; R210-F214 WeakPolarHBondContact O-CD2 3.48Å; R210-F214 PolarHBondContact O-N 3.28Å |
| 211 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.8 | -41.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | H138 T141 E207 A208 V209 N215 | H138-A211 WeakPolarHBondContact ND1-CB 3.36Å; T141-A211 HydrophobicContact CG2-CB 4.03Å; E207-A211 WeakPolarHBondContact O-CB 3.34Å; E207-A211 PolarHBondContact O-N 3.31Å; A208-A211 WeakPolarHBondContact O-CB 3.41Å; A208-A211 PolarHBondContact O-N 3.18Å; V209-A211 VanDerWaalsContact C-N 3.3Å; V209-A211 PolarHBondContact O-N 3.03Å; A211-N215 PolarHBondContact O-N 3.14Å; A211-N215 PolarHBondContact O-ND2 2.83Å |
| 212 | F | 98.3 | Very high | 98.3 | Very high | 20 Ų | 20 | 30.6 Ų | 30.6 | 9% | 0.088 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.4 | -42 | 172.1 | -83.2 | -90.6 | 0 | 0 | 0 | 112.3 | T27 S30 H31 A34 T141 A208 V209 R210 F214 N215 I216 | T27-F212 HydrophobicContact CG2-CD2 3.74Å; T27-F212 HydrophobicContact CG2-CE2 3.74Å; S30-F212 VanDerWaalsContact CB-CB 3.49Å; H31-F212 HydrophobicContact CB-CD1 4.36Å; H31-F212 HydrophobicContact CB-CE1 3.73Å; H31-F212 HydrophobicContact CB-CZ 4.1Å; H31-F212 AromaticContact CD2-CE1 3.76Å; H31-F212 AromaticContact CD2-CZ 3.92Å; A34-F212 HydrophobicContact CB-CD1 4.12Å; T141-F212 HydrophobicContact CG2-CD2 3.76Å; T141-F212 HydrophobicContact CG2-CE1 4.44Å; T141-F212 HydrophobicContact CG2-CE2 3.62Å; T141-F212 HydrophobicContact CG2-CG 4.23Å; T141-F212 HydrophobicContact CG2-CZ 3.99Å; A208-F212 WeakPolarHBondContact O-CD2 3.35Å; A208-F212 PolarHBondContact O-N 3.37Å; V209-F212 PolarHBondContact O-N 3.31Å; V209-F212 VanDerWaalsContact O-N 3.15Å; R210-F212 VanDerWaalsContact C-N 3.29Å; R210-F212 PolarHBondContact O-N 3.4Å; F212-F214 VanDerWaalsContact C-N 3.29Å; F212-F214 PolarHBondContact O-N 3.3Å; F212-N215 WeakPolarHBondContact O-CB 3.01Å; F212-N215 PolarHBondContact O-N 3.44Å; F212-N215 VanDerWaalsContact O-N 3.09Å; F212-I216 WeakPolarHBondContact O-CG1 3.46Å; F212-I216 PolarHBondContact O-N 3.49Å |
| 213 | E | 98.6 | Very high | 98.1 | Very high | 44 Ų | 44 | 28.4 Ų | 28.4 | 21% | 0.206 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.6 | -40 | 176 | -62.6 | -40.3 | 114.3 | 0 | 0 | 112.5 | S30 R33 V209 R210 N215 I216 Q217 | S30-E213 PolarHBondContact OG-OE1 2.87Å; R33-E213 IonicContact CZ-OE1 3.43Å; R33-E213 IonicContact CZ-OE2 3.49Å; R33-E213 IonicContact NH1-OE1 3.51Å; R33-E213 IonicContact NH1-OE2 2.81Å; R33-E213 PolarHBondContact NH1-OE2 3.24Å; R33-E213 IonicContact NH2-OE1 2.6Å; R33-E213 PolarHBondContact NH2-OE1 3.08Å; R33-E213 IonicContact NH2-OE2 3.25Å; R33-E213 PolarHBondContact NH2-OE2 2.84Å; V209-E213 PolarHBondContact O-N 2.88Å; V209-E213 VanDerWaalsContact O-N 3.08Å; R210-E213 WeakPolarHBondContact O-CB 3.28Å; R210-E213 PolarHBondContact O-N 3.38Å; R210-E213 VanDerWaalsContact O-N 3.09Å; E213-N215 VanDerWaalsContact C-N 3.35Å; E213-N215 PolarHBondContact O-N 3.45Å; E213-I216 PolarHBondContact O-N 3.4Å; E213-Q217 WeakPolarHBondContact O-CB 3.46Å; E213-Q217 WeakPolarHBondContact O-CG 3.34Å; E213-Q217 PolarHBondContact O-N 2.97Å |
| 214 | F | 98.8 | Very high | 97.9 | Very high | 22 Ų | 22 | 35 Ų | 35 | 10% | 0.096 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.3 | -42.4 | 174.4 | -76.8 | -65.4 | 0 | 0 | 0 | 111.9 | R119 Y120 R123 R210 F212 Q217 V218 | R119-F214 HydrophobicContact CB-CE1 4.46Å; Y120-F214 HydrophobicContact CD1-CB 3.45Å; Y120-F214 VanDerWaalsContact CD1-CB 3.45Å; Y120-F214 HydrophobicContact CD1-CG 4.3Å; Y120-F214 HydrophobicContact CD2-CB 3.84Å; Y120-F214 HydrophobicContact CD2-CD1 4.41Å; Y120-F214 HydrophobicContact CD2-CD2 4.06Å; Y120-F214 AromaticContact CD2-CG 3.87Å; Y120-F214 HydrophobicContact CD2-CG 3.87Å; Y120-F214 HydrophobicContact CE1-CB 3.66Å; Y120-F214 HydrophobicContact CE2-CB 4.11Å; Y120-F214 HydrophobicContact CE2-CD2 4.26Å; Y120-F214 HydrophobicContact CE2-CG 4.35Å; Y120-F214 HydrophobicContact CG-CB 3.53Å; Y120-F214 HydrophobicContact CG-CD1 4.2Å; Y120-F214 AromaticContact CG-CG 3.87Å; Y120-F214 HydrophobicContact CG-CG 3.87Å; R123-F214 HydrophobicContact CB-CE1 4.45Å; R123-F214 HydrophobicContact CB-CE2 3.99Å; R123-F214 HydrophobicContact CB-CZ 3.72Å; R123-F214 HydrophobicContact CG-CE2 3.71Å; R123-F214 HydrophobicContact CG-CZ 3.85Å; R210-F214 HydrophobicContact CB-CE2 4.34Å; R210-F214 WeakPolarHBondContact O-CD2 3.48Å; R210-F214 PolarHBondContact O-N 3.28Å; F212-F214 VanDerWaalsContact C-N 3.29Å; F212-F214 PolarHBondContact O-N 3.3Å; F214-Q217 PolarHBondContact O-N 3.31Å; F214-V218 VanDerWaalsContact O-CG2 3.26Å; F214-V218 WeakPolarHBondContact O-CG2 3.38Å; F214-V218 PolarHBondContact O-N 3.22Å |
| 215 | N | 98.3 | Very high | 97.7 | Very high | 9 Ų | 9 | 37.6 Ų | 37.6 | 5% | 0.048 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.9 | -45.2 | 176.1 | -78.8 | -83.2 | 0 | 0 | 0 | 111.6 | R142 A211 F212 E213 Q217 V218 F219 | R142-N215 PolarHBondContact NH1-OD1 3.08Å; A211-N215 PolarHBondContact O-N 3.14Å; A211-N215 PolarHBondContact O-ND2 2.83Å; F212-N215 WeakPolarHBondContact O-CB 3.01Å; F212-N215 PolarHBondContact O-N 3.44Å; F212-N215 VanDerWaalsContact O-N 3.09Å; E213-N215 VanDerWaalsContact C-N 3.35Å; E213-N215 PolarHBondContact O-N 3.45Å; N215-Q217 PolarHBondContact O-N 3.26Å; N215-V218 PolarHBondContact O-N 2.89Å; N215-F219 HydrophobicContact CB-CE2 4.3Å; N215-F219 HydrophobicContact CB-CZ 4.42Å; N215-F219 WeakPolarHBondContact O-CD2 3.44Å; N215-F219 VanDerWaalsContact O-CG 3.23Å; N215-F219 WeakPolarHBondContact O-CG 3.46Å; N215-F219 PolarHBondContact O-N 3.38Å |
| 216 | I | 98.5 | Very high | 97.2 | Very high | 14 Ų | 14 | 38.4 Ų | 38.4 | 7% | 0.072 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.6 | -49.9 | 176.2 | -68.8 | 164.3 | 0 | 0 | 0 | 110.4 | R33 A34 T37 F212 E213 V218 F219 D220 | R33-I216 HydrophobicContact CB-CD1 3.88Å; A34-I216 HydrophobicContact CB-CD1 4.27Å; A34-I216 HydrophobicContact CB-CG1 3.83Å; T37-I216 HydrophobicContact CG2-CB 4.46Å; T37-I216 HydrophobicContact CG2-CG1 4.31Å; T37-I216 HydrophobicContact CG2-CG2 4.05Å; F212-I216 WeakPolarHBondContact O-CG1 3.46Å; F212-I216 PolarHBondContact O-N 3.49Å; E213-I216 PolarHBondContact O-N 3.4Å; I216-V218 VanDerWaalsContact C-N 3.28Å; I216-V218 PolarHBondContact O-N 3.18Å; I216-F219 PolarHBondContact O-N 2.78Å; I216-F219 VanDerWaalsContact O-N 3.13Å; I216-D220 PolarHBondContact O-N 3.37Å |
| 217 | Q | 98.7 | Very high | 96.6 | Very high | 68 Ų | 68 | 35.3 Ų | 35.3 | 32% | 0.318 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.3 | -34.9 | 179.9 | -70.3 | 166.5 | 23.6 | 0 | 0 | 112.6 | A116 E213 F214 N215 G221 | A116-Q217 HydrophobicContact CB-CB 4.04Å; A116-Q217 VanDerWaalsContact CB-O 3.3Å; A116-Q217 WeakPolarHBondContact CB-O 3.47Å; E213-Q217 WeakPolarHBondContact O-CB 3.46Å; E213-Q217 WeakPolarHBondContact O-CG 3.34Å; E213-Q217 PolarHBondContact O-N 2.97Å; F214-Q217 PolarHBondContact O-N 3.31Å; N215-Q217 PolarHBondContact O-N 3.26Å; Q217-G221 PolarHBondContact O-N 3.24Å |
| 218 | V | 98.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.9 | -48.4 | 173.1 | 167.7 | 0 | 0 | 0 | 0 | 110.4 | I63 A116 Y120 F214 N215 I216 D220 G221 L222 | I63-V218 HydrophobicContact CD1-CG1 4.44Å; I63-V218 HydrophobicContact CD1-CG2 4.17Å; A116-V218 HydrophobicContact CB-CG2 4.1Å; Y120-V218 HydrophobicContact CD1-CG2 4.37Å; F214-V218 VanDerWaalsContact O-CG2 3.26Å; F214-V218 WeakPolarHBondContact O-CG2 3.38Å; F214-V218 PolarHBondContact O-N 3.22Å; N215-V218 PolarHBondContact O-N 2.89Å; I216-V218 VanDerWaalsContact C-N 3.28Å; I216-V218 PolarHBondContact O-N 3.18Å; V218-D220 PolarHBondContact O-N 3.43Å; V218-G221 PolarHBondContact O-N 3Å; V218-L222 HydrophobicContact CG1-CD1 4Å; V218-L222 HydrophobicContact CG1-CG 4.42Å; V218-L222 VanDerWaalsContact O-CG 3.26Å; V218-L222 WeakPolarHBondContact O-CG 3.35Å; V218-L222 PolarHBondContact O-N 3.42Å |
| 219 | F | 97.7 | Very high | 94.7 | Very high | 18 Ų | 18 | 41.4 Ų | 41.4 | 8% | 0.079 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.4 | -43.9 | 178.3 | -59.6 | -26.6 | 0 | 0 | 0 | 112.2 | T37 L39 M40 L56 N215 I216 G221 L222 Q223 | T37-F219 HydrophobicContact CG2-CB 4.31Å; T37-F219 HydrophobicContact CG2-CD2 4.21Å; L39-F219 HydrophobicContact CB-CB 4.31Å; L39-F219 HydrophobicContact CD2-CB 4.31Å; L39-F219 HydrophobicContact CD2-CD1 3.84Å; L39-F219 HydrophobicContact CD2-CG 4.31Å; M40-F219 HydrophobicContact CE-CD1 4.25Å; M40-F219 HydrophobicContact CE-CD2 4.44Å; M40-F219 HydrophobicContact CE-CE1 4.01Å; M40-F219 HydrophobicContact CE-CE2 4.21Å; M40-F219 HydrophobicContact CE-CG 4.47Å; M40-F219 HydrophobicContact CE-CZ 3.99Å; M40-F219 HydrophobicContact CG-CD2 4.01Å; M40-F219 HydrophobicContact CG-CE2 3.88Å; M40-F219 HydrophobicContact SD-CE2 4.15Å; M40-F219 HydrophobicContact SD-CZ 4.22Å; L56-F219 HydrophobicContact CD1-CD1 4.36Å; L56-F219 HydrophobicContact CD1-CE1 3.94Å; N215-F219 HydrophobicContact CB-CE2 4.3Å; N215-F219 HydrophobicContact CB-CZ 4.42Å; N215-F219 WeakPolarHBondContact O-CD2 3.44Å; N215-F219 VanDerWaalsContact O-CG 3.23Å; N215-F219 WeakPolarHBondContact O-CG 3.46Å; N215-F219 PolarHBondContact O-N 3.38Å; I216-F219 PolarHBondContact O-N 2.78Å; I216-F219 VanDerWaalsContact O-N 3.13Å; F219-G221 VanDerWaalsContact C-N 3.35Å; F219-G221 PolarHBondContact O-N 3.12Å; F219-L222 HydrophobicContact CD1-CD1 4.5Å; F219-L222 PolarHBondContact O-N 3.05Å; F219-Q223 PolarHBondContact O-N 3.27Å; F219-Q223 VanDerWaalsContact O-N 3.08Å |
| 220 | D | 97.4 | Very high | 93.3 | Very high | 64 Ų | 64 | 40.5 Ų | 40.5 | 34% | 0.342 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.9 | -39.5 | 175.6 | -68.6 | -16 | 0 | 0 | 0 | 111.9 | I216 V218 Q223 K224 | I216-D220 PolarHBondContact O-N 3.37Å; V218-D220 PolarHBondContact O-N 3.43Å; D220-Q223 PolarHBondContact O-N 3.39Å; D220-K224 WeakPolarHBondContact O-CG 3.18Å; D220-K224 PolarHBondContact O-N 3.35Å |
| 221 | G | 97.7 | Very high | 91.8 | Very high | 13 Ų | 13 | 40.6 Ų | 40.6 | 13% | 0.134 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62 | -44.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q217 V218 F219 K224 M225 | Q217-G221 PolarHBondContact O-N 3.24Å; V218-G221 PolarHBondContact O-N 3Å; F219-G221 VanDerWaalsContact C-N 3.35Å; F219-G221 PolarHBondContact O-N 3.12Å; G221-K224 PolarHBondContact O-N 3.17Å; G221-M225 WeakPolarHBondContact O-CG 3.35Å; G221-M225 PolarHBondContact O-N 3.46Å; G221-M225 VanDerWaalsContact O-N 3.12Å |
| 222 | L | 96.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.3 | -46 | 175.8 | -70.7 | 169.3 | 0 | 0 | 0 | 111.4 | L39 L55 L56 P114 V218 F219 K224 M225 L226 | L39-L222 HydrophobicContact CD2-CB 4.47Å; L39-L222 HydrophobicContact CD2-CD1 3.85Å; L55-L222 HydrophobicContact CB-CD2 3.63Å; L55-L222 WeakPolarHBondContact O-CD2 3.25Å; L56-L222 HydrophobicContact CB-CD1 4.33Å; L56-L222 HydrophobicContact CD1-CD1 4Å; P114-L222 HydrophobicContact CG-CD2 4.29Å; P114-L222 HydrophobicContact CG-CG 4.26Å; V218-L222 HydrophobicContact CG1-CD1 4Å; V218-L222 HydrophobicContact CG1-CG 4.42Å; V218-L222 VanDerWaalsContact O-CG 3.26Å; V218-L222 WeakPolarHBondContact O-CG 3.35Å; V218-L222 PolarHBondContact O-N 3.42Å; F219-L222 HydrophobicContact CD1-CD1 4.5Å; F219-L222 PolarHBondContact O-N 3.05Å; L222-K224 VanDerWaalsContact C-N 3.33Å; L222-K224 PolarHBondContact O-N 3.22Å; L222-M225 PolarHBondContact O-N 3.21Å; L222-L226 WeakPolarHBondContact O-CD1 3.39Å; L222-L226 WeakPolarHBondContact O-CG 3.22Å; L222-L226 PolarHBondContact O-N 3.43Å |
| 223 | Q | 93.4 | Very high | 88.4 | Confident | 38 Ų | 38 | 52.5 Ų | 52.5 | 18% | 0.178 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.8 | -39.2 | 179.7 | -175.9 | 62.3 | 9 | 0 | 0 | 112.5 | E38 F219 D220 L226 S227 | E38-Q223 HydrophobicContact CB-CG 4.18Å; E38-Q223 VanDerWaalsContact OE2-CD 3.3Å; E38-Q223 WeakPolarHBondContact OE2-CG 3.43Å; E38-Q223 PolarHBondContact OE2-NE2 2.82Å; F219-Q223 PolarHBondContact O-N 3.27Å; F219-Q223 VanDerWaalsContact O-N 3.08Å; D220-Q223 PolarHBondContact O-N 3.39Å; Q223-L226 PolarHBondContact O-N 3.45Å; Q223-S227 PolarHBondContact O-N 3.13Å; Q223-S227 VanDerWaalsContact O-N 3.08Å; Q223-S227 PolarHBondContact O-OG 3.44Å |
| 224 | K | 94.1 | Very high | 86.6 | Confident | 147 Ų | 147 | 59.1 Ų | 59.1 | 64% | 0.639 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.4 | -44.5 | 174.9 | -73.4 | 172 | -175.9 | 176.5 | 0 | 112.1 | D220 G221 L222 L226 S227 V228 | D220-K224 WeakPolarHBondContact O-CG 3.18Å; D220-K224 PolarHBondContact O-N 3.35Å; G221-K224 PolarHBondContact O-N 3.17Å; L222-K224 VanDerWaalsContact C-N 3.33Å; L222-K224 PolarHBondContact O-N 3.22Å; K224-L226 VanDerWaalsContact C-N 3.3Å; K224-L226 PolarHBondContact O-N 3.13Å; K224-S227 PolarHBondContact O-N 2.92Å; K224-V228 WeakPolarHBondContact O-CG2 3.43Å; K224-V228 PolarHBondContact O-N 3.47Å; K224-V228 VanDerWaalsContact O-N 3.1Å |
| 225 | M | 93.9 | Very high | 84.5 | Confident | 54 Ų | 54 | 64 Ų | 64 | 27% | 0.266 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.5 | -42.7 | 177.7 | -72.7 | 175.1 | 64.1 | 0 | 0 | 112.1 | L55 V112 P114 G221 L222 V228 A229 | L55-M225 HydrophobicContact CD2-CE 4.35Å; V112-M225 HydrophobicContact CB-CE 4.29Å; V112-M225 HydrophobicContact CG1-CE 3.49Å; V112-M225 VanDerWaalsContact CG1-CE 3.49Å; P114-M225 HydrophobicContact CB-SD 3.78Å; P114-M225 HydrophobicContact CG-SD 4.26Å; G221-M225 WeakPolarHBondContact O-CG 3.35Å; G221-M225 PolarHBondContact O-N 3.46Å; G221-M225 VanDerWaalsContact O-N 3.12Å; L222-M225 PolarHBondContact O-N 3.21Å; M225-V228 PolarHBondContact O-N 3.1Å; M225-A229 PolarHBondContact O-N 3.01Å; M225-A229 VanDerWaalsContact O-N 3.13Å |
| 226 | L | 88.3 | Confident | 82.5 | Confident | 36 Ų | 36 | 66.6 Ų | 66.6 | 19% | 0.188 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.3 | -39.2 | 178.9 | -70.2 | 157.8 | 0 | 0 | 0 | 112.8 | P51 Q52 L55 L222 Q223 K224 A229 G230 | P51-L226 HydrophobicContact CB-CD2 4Å; Q52-L226 HydrophobicContact CB-CD1 4.18Å; Q52-L226 HydrophobicContact CG-CD1 3.23Å; Q52-L226 HydrophobicContact CG-CD2 4.42Å; Q52-L226 HydrophobicContact CG-CG 4.43Å; L55-L226 HydrophobicContact CD1-CD1 4.38Å; L55-L226 HydrophobicContact CD1-CD2 3.66Å; L55-L226 HydrophobicContact CD1-CG 3.76Å; L222-L226 WeakPolarHBondContact O-CD1 3.39Å; L222-L226 WeakPolarHBondContact O-CG 3.22Å; L222-L226 PolarHBondContact O-N 3.43Å; Q223-L226 PolarHBondContact O-N 3.45Å; K224-L226 VanDerWaalsContact C-N 3.3Å; K224-L226 PolarHBondContact O-N 3.13Å; L226-A229 PolarHBondContact O-N 3.5Å; L226-G230 PolarHBondContact O-N 3.14Å |
| 227 | S | 87.1 | Confident | 80.5 | Confident | 58 Ų | 58 | 68.8 Ų | 68.8 | 41% | 0.406 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64 | -41.1 | 177.6 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | Q223 K224 G230 N231 | Q223-S227 PolarHBondContact O-N 3.13Å; Q223-S227 VanDerWaalsContact O-N 3.08Å; Q223-S227 PolarHBondContact O-OG 3.44Å; K224-S227 PolarHBondContact O-N 2.92Å; S227-G230 PolarHBondContact O-N 2.83Å; S227-N231 VanDerWaalsContact O-CG 3.28Å; S227-N231 PolarHBondContact O-N 2.78Å; S227-N231 VanDerWaalsContact O-N 3.12Å; S227-N231 PolarHBondContact O-ND2 3.28Å |
| 228 | V | 80.2 | Confident | 78.4 | Confident | 81 Ų | 81 | 69.6 Ų | 69.6 | 49% | 0.491 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.5 | -46.2 | 176.8 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | K224 M225 G230 N231 Q232 | K224-V228 WeakPolarHBondContact O-CG2 3.43Å; K224-V228 PolarHBondContact O-N 3.47Å; K224-V228 VanDerWaalsContact O-N 3.1Å; M225-V228 PolarHBondContact O-N 3.1Å; V228-G230 VanDerWaalsContact C-N 3.33Å; V228-G230 PolarHBondContact O-N 3.28Å; V228-N231 PolarHBondContact O-N 3.38Å; V228-Q232 PolarHBondContact O-N 3.18Å; V228-Q232 VanDerWaalsContact O-N 3.12Å |
| 229 | A | 76.1 | Confident | 76.2 | Confident | 47 Ų | 47 | 74.7 Ų | 74.7 | 39% | 0.388 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | M225 L226 N231 Q232 Q233 | M225-A229 PolarHBondContact O-N 3.01Å; M225-A229 VanDerWaalsContact O-N 3.13Å; L226-A229 PolarHBondContact O-N 3.5Å; A229-N231 VanDerWaalsContact C-N 3.35Å; A229-N231 PolarHBondContact O-N 3.08Å; A229-Q232 PolarHBondContact O-N 2.94Å; A229-Q233 PolarHBondContact O-N 2.81Å |
| 230 | G | 70.7 | Confident | 74 | Confident | 26 Ų | 26 | 77.8 Ų | 77.8 | 27% | 0.268 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.1 | -35.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L226 S227 V228 R234 | L226-G230 PolarHBondContact O-N 3.14Å; S227-G230 PolarHBondContact O-N 2.83Å; V228-G230 VanDerWaalsContact C-N 3.33Å; V228-G230 PolarHBondContact O-N 3.28Å; G230-R234 WeakPolarHBondContact O-CG 3.44Å; G230-R234 PolarHBondContact O-N 3.21Å |
| 231 | N | 66.9 | Low | 71.7 | Confident | 91 Ų | 91 | 83.1 Ų | 83.1 | 49% | 0.487 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -70.7 | -38.8 | 177.9 | -73 | -16.2 | 0 | 0 | 0 | 112.5 | S227 V228 A229 R234 Q235 | S227-N231 VanDerWaalsContact O-CG 3.28Å; S227-N231 PolarHBondContact O-N 2.78Å; S227-N231 VanDerWaalsContact O-N 3.12Å; S227-N231 PolarHBondContact O-ND2 3.28Å; V228-N231 PolarHBondContact O-N 3.38Å; A229-N231 VanDerWaalsContact C-N 3.35Å; A229-N231 PolarHBondContact O-N 3.08Å; N231-R234 PolarHBondContact O-N 3.42Å; N231-Q235 PolarHBondContact O-N 3.23Å |
| 232 | Q | 63.3 | Low | 69.3 | Low | 126 Ų | 126 | 86.1 Ų | 86.1 | 59% | 0.589 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -65.7 | -37.4 | 176.1 | -70.9 | 178.7 | -15.5 | 0 | 0 | 112.4 | V228 A229 S236 | V228-Q232 PolarHBondContact O-N 3.18Å; V228-Q232 VanDerWaalsContact O-N 3.12Å; A229-Q232 PolarHBondContact O-N 2.94Å; Q232-S236 WeakPolarHBondContact O-CB 3.44Å; Q232-S236 PolarHBondContact O-N 3.05Å; Q232-S236 PolarHBondContact O-OG 3.26Å |
| 233 | Q | 61.1 | Low | 66.8 | Low | 144 Ų | 144 | 91.8 Ų | 91.8 | 67% | 0.673 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.6 | -34.9 | 173.8 | -75.6 | -176.7 | -40.9 | 0 | 0 | 112.8 | A229 S236 S237 | A229-Q233 PolarHBondContact O-N 2.81Å; Q233-S236 WeakPolarHBondContact CA-OG 3.38Å; Q233-S236 PolarHBondContact O-OG 3.04Å; Q233-S237 WeakPolarHBondContact O-CB 3.47Å; Q233-S237 PolarHBondContact O-N 2.99Å; Q233-S237 PolarHBondContact O-OG 3.12Å |
| 234 | R | 60.8 | Low | 64.3 | Low | 182 Ų | 182 | 98.2 Ų | 98.2 | 69% | 0.687 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -70.5 | -41.4 | 175 | -73.2 | 179.2 | -166.8 | -178.2 | 5.5 | 112.4 | G230 N231 S237 T238 | G230-R234 WeakPolarHBondContact O-CG 3.44Å; G230-R234 PolarHBondContact O-N 3.21Å; N231-R234 PolarHBondContact O-N 3.42Å; R234-S237 WeakPolarHBondContact CA-OG 3.48Å; R234-S237 PolarHBondContact O-N 2.98Å; R234-S237 PolarHBondContact O-OG 3.46Å; R234-T238 PolarHBondContact O-N 2.83Å; R234-T238 PolarHBondContact O-OG1 3.42Å; R234-T238 VanDerWaalsContact O-OG1 3.07Å |
| 235 | Q | 54.6 | Low | 61.6 | Low | 125 Ų | 125 | 94.2 Ų | 94.2 | 58% | 0.584 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.8 | -43.8 | 178 | -75.3 | 175.7 | -15.5 | 0 | 0 | 112.5 | N231 S237 T238 D239 | N231-Q235 PolarHBondContact O-N 3.23Å; Q235-S237 VanDerWaalsContact C-N 3.31Å; Q235-S237 PolarHBondContact O-N 3.41Å; Q235-T238 WeakPolarHBondContact CA-OG1 3.42Å; Q235-T238 PolarHBondContact O-N 2.98Å; Q235-T238 PolarHBondContact O-OG1 3.12Å; Q235-D239 PolarHBondContact O-N 2.85Å |
| 236 | S | 56.3 | Low | 59.2 | Low | 63 Ų | 63 | 101.3 Ų | 101.3 | 44% | 0.441 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.2 | -31.6 | 176.5 | 51.8 | 0 | 0 | 0 | 0 | 113.6 | Q232 Q233 S240 | Q232-S236 WeakPolarHBondContact O-CB 3.44Å; Q232-S236 PolarHBondContact O-N 3.05Å; Q232-S236 PolarHBondContact O-OG 3.26Å; Q233-S236 WeakPolarHBondContact CA-OG 3.38Å; Q233-S236 PolarHBondContact O-OG 3.04Å; S236-S240 WeakPolarHBondContact O-CB 3.36Å; S236-S240 PolarHBondContact O-N 3.14Å; S236-S240 PolarHBondContact O-OG 3.37Å |
| 237 | S | 57.6 | Low | 56.6 | Low | 60 Ų | 60 | 106.1 Ų | 106.1 | 42% | 0.42 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -78.9 | -27.4 | 175.2 | 54.9 | 0 | 0 | 0 | 0 | 113.7 | Q233 R234 Q235 K241 | Q233-S237 WeakPolarHBondContact O-CB 3.47Å; Q233-S237 PolarHBondContact O-N 2.99Å; Q233-S237 PolarHBondContact O-OG 3.12Å; R234-S237 WeakPolarHBondContact CA-OG 3.48Å; R234-S237 PolarHBondContact O-N 2.98Å; R234-S237 PolarHBondContact O-OG 3.46Å; Q235-S237 VanDerWaalsContact C-N 3.31Å; Q235-S237 PolarHBondContact O-N 3.41Å; S237-K241 WeakPolarHBondContact O-CG 3.46Å; S237-K241 PolarHBondContact O-N 3.37Å |
| 238 | T | 55 | Low | 53.9 | Low | 86 Ų | 86 | 111.2 Ų | 111.2 | 53% | 0.528 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -73.6 | -37.6 | 169.6 | 45.5 | 0 | 0 | 0 | 0 | 112.3 | R234 Q235 K241 A242 | R234-T238 PolarHBondContact O-N 2.83Å; R234-T238 PolarHBondContact O-OG1 3.42Å; R234-T238 VanDerWaalsContact O-OG1 3.07Å; Q235-T238 WeakPolarHBondContact CA-OG1 3.42Å; Q235-T238 PolarHBondContact O-N 2.98Å; Q235-T238 PolarHBondContact O-OG1 3.12Å; T238-K241 PolarHBondContact O-N 3.38Å; T238-A242 PolarHBondContact O-N 3.3Å |
| 239 | D | 50.9 | Low | 51.9 | Low | 109 Ų | 109 | 116.1 Ų | 116.1 | 58% | 0.583 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -71.7 | -36.5 | 177.6 | -72 | -20.6 | 0 | 0 | 0 | 112.1 | Q235 K241 A242 | Q235-D239 PolarHBondContact O-N 2.85Å; D239-K241 VanDerWaalsContact C-N 3.29Å; D239-K241 PolarHBondContact O-N 3.07Å; D239-A242 PolarHBondContact O-N 3.07Å; D239-A242 VanDerWaalsContact O-N 3.14Å |
| 240 | S | 51.9 | Low | 49.8 | Very low | 83 Ų | 83 | 121.8 Ų | 121.8 | 58% | 0.58 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -66.6 | -29 | 174.9 | -62.4 | 0 | 0 | 0 | 0 | 112.9 | S236 | S236-S240 WeakPolarHBondContact O-CB 3.36Å; S236-S240 PolarHBondContact O-N 3.14Å; S236-S240 PolarHBondContact O-OG 3.37Å |
| 241 | K | 49.5 | Very low | 47.8 | Very low | 175 Ų | 175 | 128.4 Ų | 128.4 | 76% | 0.761 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -76.1 | -22.3 | 173.6 | -77.1 | -175.7 | 178.9 | -177 | 0 | 113.2 | S237 T238 D239 | S237-K241 WeakPolarHBondContact O-CG 3.46Å; S237-K241 PolarHBondContact O-N 3.37Å; T238-K241 PolarHBondContact O-N 3.38Å; D239-K241 VanDerWaalsContact C-N 3.29Å; D239-K241 PolarHBondContact O-N 3.07Å |
| 242 | A | 47.9 | Very low | 46 | Very low | 77 Ų | 77 | 127.8 Ų | 127.8 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -76.7 | -21.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | T238 D239 | T238-A242 PolarHBondContact O-N 3.3Å; D239-A242 PolarHBondContact O-N 3.07Å; D239-A242 VanDerWaalsContact O-N 3.14Å |
| 243 | V | 43.4 | Very low | 44.6 | Very low | 120 Ų | 120 | 126.9 Ų | 126.9 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -89.2 | -16.6 | -176.7 | 178.1 | 0 | 0 | 0 | 0 | 113.8 | ||
| 244 | H | 41 | Very low | 43.1 | Very low | 173 Ų | 173 | 130 Ų | 130 | 80% | 0.801 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -109 | 14.6 | 179.8 | -97.4 | 72.8 | 0 | 0 | 0 | 115.4 | K246 | H244-K246 PolarHBondContact O-N 3.42Š|
| 245 | G | 37.1 | Very low | 41.8 | Very low | 62 Ų | 62 | 126.3 Ų | 126.3 | 64% | 0.639 | 71% | 0.713 | S | S | * | * | trans | -97.3 | 54.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 246 | K | 43.1 | Very low | 41 | Very low | 203 Ų | 203 | 126 Ų | 126 | 88% | 0.883 | 72% | 0.722 | S | S | * | * | trans | -138.4 | 72.3 | 162.2 | -89.6 | -169.2 | 179.6 | 177.8 | 0 | 111.7 | H244 | H244-K246 PolarHBondContact O-N 3.42Š| ||
| 247 | T | 34.5 | Very low | 39.7 | Very low | 138 Ų | 138 | 131.4 Ų | 131.4 | 85% | 0.847 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -148 | 111.1 | 149.3 | -48.5 | 0 | 0 | 0 | 0 | 110.6 | ||
| 248 | L | 30.6 | Very low | 38.4 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 86% | 0.859 | 76% | 0.762 | S | S | * | * | trans | 31.8 | 121.7 | 150.3 | -135.7 | 67.6 | 0 | 0 | 0 | 121.3 | ||||
| 249 | Q | 37.5 | Very low | 37.2 | Very low | 184 Ų | 184 | 143.4 Ų | 143.4 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -62.6 | 141.2 | 165.4 | -63.7 | -173.6 | -15.3 | 0 | 0 | 112.7 | ||||
| 250 | I | 31.9 | Very low | 36.1 | Very low | 167 Ų | 167 | 146.6 Ų | 146.6 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | -142.7 | 123.2 | 139.2 | -59.7 | -174.1 | 0 | 0 | 0 | 110.4 | ||||
| 251 | L | 29.8 | Very low | 34.9 | Very low | 164 Ų | 164 | 148 Ų | 148 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | trans | -0.7 | 132.4 | 157.1 | -149 | 69.9 | 0 | 0 | 0 | 120.7 | ||||
| 252 | G | 28.8 | Very low | 33.8 | Very low | 78 Ų | 78 | 148.2 Ų | 148.2 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -174.1 | 88.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 253 | T | 32.6 | Very low | 32.7 | Very low | 108 Ų | 108 | 147 Ų | 147 | 66% | 0.663 | 80% | 0.802 | S | S | * | * | trans | -59 | 141.1 | 175.3 | -43.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 254 | F | 30.2 | Very low | 31.8 | Very low | 208 Ų | 208 | 148.7 Ų | 148.7 | 91% | 0.912 | 81% | 0.806 | S | S | * | * | 177.7 | 153.8 | 122.1 | -91.8 | -67.9 | 0 | 0 | 0 | 113.1 | |||||
| 255 | S | 34.3 | Very low | 31.1 | Very low | 106 Ų | 106 | 150.2 Ų | 150.2 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | trans | -77.2 | 161.8 | -158 | 171.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 256 | P | 36.7 | Very low | 30.6 | Very low | 117 Ų | 117 | 154.5 Ų | 154.5 | 76% | 0.76 | 82% | 0.824 | S | S | * | * | trans | -88.8 | 130.7 | -174.6 | 34 | -28.8 | 0 | 0 | 0 | 112.7 | ||||
| 257 | M | 29.1 | Very low | 29.8 | Very low | 178 Ų | 178 | 148.9 Ų | 148.9 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | trans | -144.2 | 117.1 | 163.2 | -107.8 | -145.6 | 167 | 0 | 0 | 113.7 | ||||
| 258 | L | 29.9 | Very low | 29.5 | Very low | 158 Ų | 158 | 150.5 Ų | 150.5 | 83% | 0.827 | 82% | 0.818 | S | S | * | * | trans | 68.9 | 102.4 | 132.7 | -143.9 | 65.3 | 0 | 0 | 0 | 120.3 | ||||
| 259 | R | 30.9 | Very low | 29.3 | Very low | 239 Ų | 239 | 147.9 Ų | 147.9 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | trans | -57.2 | 135.9 | 156.4 | -61.8 | 167 | 169.9 | 176.4 | -4.1 | 112.5 | ||||
| 260 | M | 26.9 | Very low | 29 | Very low | 177 Ų | 177 | 143.3 Ų | 143.3 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | trans | 165 | 136.3 | 145.7 | -121.6 | 169.4 | 49.3 | 0 | 0 | 106.1 | ||||
| 261 | V | 27.5 | Very low | 29.1 | Very low | 113 Ų | 113 | 142.1 Ų | 142.1 | 69% | 0.685 | 81% | 0.814 | S | S | * | * | cis | -167.4 | 136.1 | 49.3 | 173.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 262 | L | 25.4 | Very low | 29.2 | Very low | 178 Ų | 178 | 141.5 Ų | 141.5 | 93% | 0.932 | 82% | 0.817 | S | S | * | * | trans | -159.5 | 97.8 | 133.2 | -148.4 | 68.3 | 0 | 0 | 0 | 110.2 | ||||
| 263 | G | 24.5 | Very low | 29.2 | Very low | 52 Ų | 52 | 141.4 Ų | 141.4 | 54% | 0.536 | 82% | 0.816 | S | S | . | * | trans | -101.2 | 160.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 264 | L | 25.9 | Very low | 29.2 | Very low | 156 Ų | 156 | 143.5 Ų | 143.5 | 82% | 0.817 | 82% | 0.822 | S | S | * | * | trans | 75.8 | 107.3 | 171.5 | -68.1 | 111.4 | 0 | 0 | 0 | 116.9 | ||||
| 265 | F | 25.9 | Very low | 29.6 | Very low | 204 Ų | 204 | 144.6 Ų | 144.6 | 90% | 0.895 | 82% | 0.822 | S | S | * | * | -164.1 | 99.9 | 92.8 | -91.2 | -75.5 | 0 | 0 | 0 | 109.6 | |||||
| 266 | V | 27.6 | Very low | 29.4 | Very low | 152 Ų | 152 | 144.4 Ų | 144.4 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | trans | -124.7 | 104.9 | 165.1 | 174.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 267 | A | 24.9 | Very low | 29.5 | Very low | 86 Ų | 86 | 150.6 Ų | 150.6 | 71% | 0.711 | 85% | 0.852 | S | S | * | * | trans | -170.1 | 142.4 | 155.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 268 | L | 27.9 | Very low | 29.6 | Very low | 171 Ų | 171 | 149.3 Ų | 149.3 | 90% | 0.895 | 85% | 0.851 | S | S | * | * | trans | 92.9 | 81.2 | 169.5 | -63.3 | 149.6 | 0 | 0 | 0 | 117.5 | ||||
| 269 | A | 27.2 | Very low | 29.5 | Very low | 110 Ų | 110 | 148.8 Ų | 148.8 | 91% | 0.909 | 85% | 0.852 | S | S | * | * | -165.9 | 54.7 | 128.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 270 | A | 30.8 | Very low | 29.5 | Very low | 87 Ų | 87 | 143.8 Ų | 143.8 | 72% | 0.719 | 85% | 0.849 | S | S | * | * | trans | -104.1 | 140.9 | 151.5 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 271 | V | 33.8 | Very low | 29.6 | Very low | 143 Ų | 143 | 141.8 Ų | 141.8 | 87% | 0.867 | 85% | 0.848 | S | S | * | * | trans | 91 | 66 | -172.2 | -163.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 272 | V | 31.7 | Very low | 29.7 | Very low | 150 Ų | 150 | 143.6 Ų | 143.6 | 91% | 0.909 | 86% | 0.858 | S | S | * | * | trans | -149.1 | 53.5 | 141.7 | -165.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 273 | G | 30.6 | Very low | 30 | Very low | 76 Ų | 76 | 141.3 Ų | 141.3 | 78% | 0.784 | 85% | 0.853 | S | S | * | * | S | Bend | trans | -124.6 | 13 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 274 | L | 31.7 | Very low | 30.4 | Very low | 152 Ų | 152 | 147.7 Ų | 147.7 | 80% | 0.796 | 88% | 0.876 | S | S | * | * | S | Bend | trans | -132 | 133.5 | 171.5 | -84.9 | 143.1 | 0 | 0 | 0 | 104.6 | ||
| 275 | Y | 38.4 | Very low | 30.8 | Very low | 232 Ų | 232 | 147.1 Ų | 147.1 | 91% | 0.91 | 88% | 0.881 | S | S | * | * | trans | 88.6 | 67.3 | -166.1 | -52.2 | -72.6 | 0 | 0 | 0 | 115.6 | ||||
| 276 | A | 31.2 | Very low | 31.2 | Very low | 101 Ų | 101 | 142.3 Ų | 142.3 | 84% | 0.835 | 88% | 0.879 | S | S | * | * | trans | -145.7 | 109.6 | 131.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 277 | L | 38.5 | Very low | 31.5 | Very low | 248 Ų | 248 | 141.5 Ų | 141.5 | 100% | 1.298 | 88% | 0.876 | S | S | * | * | trans | -55.9 | 0 | 166.3 | -80.2 | 144.8 | 0 | 0 | 0 | 111 |
Retrieved 277 of 277 residues in 185.1 ms
(Link to these results)