| 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 | 66.8 | Low | 84.3 | Confident | 226 Ų | 226 | 118.2 Ų | 118.2 | 100% | 1.113 | 63% | 0.632 | S | S | * | * | 0 | -3.7 | 0 | -108.1 | 157.7 | 149.9 | 0 | 0 | 114.4 | |||||
| 2 | S | 79.4 | Confident | 84.9 | Confident | 97 Ų | 97 | 121.3 Ų | 121.3 | 68% | 0.678 | 64% | 0.636 | S | S | * | * | trans | -100.1 | -15.4 | -174.4 | -31.1 | 0 | 0 | 0 | 0 | 115.4 | S5 | S2-S5 PolarHBondContact O-OG 3.14Š| ||
| 3 | T | 85.6 | Confident | 84.8 | Confident | 115 Ų | 115 | 119.8 Ų | 119.8 | 71% | 0.706 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -79.7 | -36.5 | -178.3 | 45.2 | 0 | 0 | 0 | 0 | 112.7 | L6 L7 | T3-L6 PolarHBondContact O-N 2.81Å; T3-L7 PolarHBondContact O-N 3.42Å; T3-L7 VanDerWaalsContact O-N 3.17Å |
| 4 | E | 86.7 | Confident | 84.2 | Confident | 140 Ų | 140 | 116.9 Ų | 116.9 | 65% | 0.654 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66 | -41.2 | -178.5 | -58.1 | -120.9 | 94.2 | 0 | 0 | 111.2 | L6 L7 D8 | E4-L6 VanDerWaalsContact C-N 3.3Å; E4-L6 PolarHBondContact O-N 3.27Å; E4-L7 PolarHBondContact O-N 3.42Å; E4-D8 PolarHBondContact O-N 3.39Å |
| 5 | S | 84.9 | Confident | 83.9 | Confident | 62 Ų | 62 | 119.8 Ų | 119.8 | 43% | 0.434 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65.4 | -31.6 | 176.9 | 61.4 | 0 | 0 | 0 | 0 | 112.9 | S2 N9 | S2-S5 PolarHBondContact O-OG 3.14Å; S5-N9 WeakPolarHBondContact O-CB 2.93Å; S5-N9 PolarHBondContact O-N 3.41Å; S5-N9 VanDerWaalsContact O-N 3.07Å; S5-N9 PolarHBondContact O-ND2 2.91Å |
| 6 | L | 84.9 | Confident | 83.6 | Confident | 127 Ų | 127 | 115.8 Ų | 115.8 | 67% | 0.665 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -70.2 | -40.4 | 175.1 | -115.1 | -172.6 | 0 | 0 | 0 | 111.6 | T3 E4 N9 Y10 | T3-L6 PolarHBondContact O-N 2.81Å; E4-L6 VanDerWaalsContact C-N 3.3Å; E4-L6 PolarHBondContact O-N 3.27Å; L6-N9 PolarHBondContact O-N 3.46Å; L6-Y10 WeakPolarHBondContact O-CB 3.21Å; L6-Y10 PolarHBondContact O-N 3.28Å |
| 7 | L | 83.1 | Confident | 82.7 | Confident | 104 Ų | 104 | 115.8 Ų | 115.8 | 55% | 0.545 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.6 | -44.7 | 177.1 | -173.7 | 64.4 | 0 | 0 | 0 | 110.9 | T3 E4 N9 Y10 V11 | T3-L7 PolarHBondContact O-N 3.42Å; T3-L7 VanDerWaalsContact O-N 3.17Å; E4-L7 PolarHBondContact O-N 3.42Å; L7-N9 PolarHBondContact O-N 3.33Å; L7-Y10 PolarHBondContact O-N 2.74Å; L7-V11 WeakPolarHBondContact O-CB 3.48Å; L7-V11 VanDerWaalsContact O-CG2 3.25Å; L7-V11 WeakPolarHBondContact O-CG2 3.32Å; L7-V11 PolarHBondContact O-N 3.13Å |
| 8 | D | 89.1 | Confident | 81.9 | Confident | 110 Ų | 110 | 115.4 Ų | 115.4 | 59% | 0.588 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.5 | -41.3 | 176.7 | -78.5 | -41.3 | 0 | 0 | 0 | 112.6 | E4 V11 K12 | E4-D8 PolarHBondContact O-N 3.39Å; D8-V11 PolarHBondContact O-N 3.47Å; D8-K12 VanDerWaalsContact O-CB 3.26Å; D8-K12 WeakPolarHBondContact O-CB 3.31Å; D8-K12 PolarHBondContact O-N 3.47Å |
| 9 | N | 91.3 | Very high | 81.5 | Confident | 100 Ų | 100 | 112.1 Ų | 112.1 | 54% | 0.535 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.4 | -42.7 | 174.8 | -81.9 | -61.9 | 0 | 0 | 0 | 111.7 | S5 L6 L7 K12 E13 | S5-N9 WeakPolarHBondContact O-CB 2.93Å; S5-N9 PolarHBondContact O-N 3.41Å; S5-N9 VanDerWaalsContact O-N 3.07Å; S5-N9 PolarHBondContact O-ND2 2.91Å; L6-N9 PolarHBondContact O-N 3.46Å; L7-N9 PolarHBondContact O-N 3.33Å; N9-K12 PolarHBondContact O-N 3.27Å; N9-E13 PolarHBondContact O-N 2.86Å |
| 10 | Y | 87.3 | Confident | 80.8 | Confident | 138 Ų | 138 | 110 Ų | 110 | 54% | 0.541 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.6 | -43.9 | 177.7 | -170.6 | -97.6 | 0 | 0 | 0 | 112 | L6 L7 K12 E13 Q14 | L6-Y10 WeakPolarHBondContact O-CB 3.21Å; L6-Y10 PolarHBondContact O-N 3.28Å; L7-Y10 PolarHBondContact O-N 2.74Å; Y10-K12 VanDerWaalsContact C-N 3.31Å; Y10-K12 PolarHBondContact O-N 2.61Å; Y10-E13 PolarHBondContact O-N 3.44Å; Y10-Q14 HydrophobicContact CD1-CG 4.03Å; Y10-Q14 HydrophobicContact CE1-CG 3.76Å; Y10-Q14 VanDerWaalsContact CZ-NE2 3.34Å; Y10-Q14 VanDerWaalsContact O-CG 3.31Å; Y10-Q14 WeakPolarHBondContact O-CG 2.94Å; Y10-Q14 PolarHBondContact O-N 3.48Å; Y10-Q14 PolarHBondContact OH-NE2 2.76Å; Y10-Q14 VanDerWaalsContact OH-NE2 3.1Å |
| 11 | V | 88 | Confident | 80.1 | Confident | 81 Ų | 81 | 106.7 Ų | 106.7 | 49% | 0.491 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.9 | -40.3 | 175.6 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | L7 D8 Q14 K15 | L7-V11 WeakPolarHBondContact O-CB 3.48Å; L7-V11 VanDerWaalsContact O-CG2 3.25Å; L7-V11 WeakPolarHBondContact O-CG2 3.32Å; L7-V11 PolarHBondContact O-N 3.13Å; D8-V11 PolarHBondContact O-N 3.47Å; V11-Q14 PolarHBondContact O-N 3.29Å; V11-K15 WeakPolarHBondContact O-CB 3.24Å; V11-K15 PolarHBondContact O-N 3.48Å |
| 12 | K | 91.2 | Very high | 80.2 | Confident | 156 Ų | 156 | 99.7 Ų | 99.7 | 68% | 0.678 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.2 | -40.4 | 175.6 | -168.3 | 177.2 | -178.3 | -178 | 0 | 112 | D8 N9 Y10 K15 A16 | D8-K12 VanDerWaalsContact O-CB 3.26Å; D8-K12 WeakPolarHBondContact O-CB 3.31Å; D8-K12 PolarHBondContact O-N 3.47Å; N9-K12 PolarHBondContact O-N 3.27Å; Y10-K12 VanDerWaalsContact C-N 3.31Å; Y10-K12 PolarHBondContact O-N 2.61Å; K12-K15 PolarHBondContact O-N 3.24Å; K12-A16 PolarHBondContact O-N 3.38Å |
| 13 | E | 84.3 | Confident | 79.5 | Confident | 101 Ų | 101 | 104 Ų | 104 | 47% | 0.472 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.2 | -40.1 | 176.2 | -159.3 | -173.7 | 114.9 | 0 | 0 | 112 | N9 Y10 K15 A16 K17 | N9-E13 PolarHBondContact O-N 2.86Å; Y10-E13 PolarHBondContact O-N 3.44Å; E13-K15 VanDerWaalsContact C-N 3.35Å; E13-A16 PolarHBondContact O-N 2.67Å; E13-K17 PolarHBondContact O-N 3.08Å; E13-K17 WeakPolarHBondContact OE1-CE 3.38Å; E13-K17 IonicContact OE1-NZ 2.8Å; E13-K17 PolarHBondContact OE1-NZ 3.17Å |
| 14 | Q | 76.5 | Confident | 78.2 | Confident | 79 Ų | 79 | 104.5 Ų | 104.5 | 37% | 0.369 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.5 | -38.2 | 174.4 | -69 | -66.1 | -14.1 | 0 | 0 | 111.7 | Y10 V11 K17 N18 | Y10-Q14 HydrophobicContact CD1-CG 4.03Å; Y10-Q14 HydrophobicContact CE1-CG 3.76Å; Y10-Q14 VanDerWaalsContact CZ-NE2 3.34Å; Y10-Q14 VanDerWaalsContact O-CG 3.31Å; Y10-Q14 WeakPolarHBondContact O-CG 2.94Å; Y10-Q14 PolarHBondContact O-N 3.48Å; Y10-Q14 PolarHBondContact OH-NE2 2.76Å; Y10-Q14 VanDerWaalsContact OH-NE2 3.1Å; V11-Q14 PolarHBondContact O-N 3.29Å; Q14-K17 PolarHBondContact O-N 3.29Å; Q14-N18 VanDerWaalsContact O-CB 3.28Å; Q14-N18 WeakPolarHBondContact O-CB 2.8Å; Q14-N18 PolarHBondContact O-N 2.79Å |
| 15 | K | 80.1 | Confident | 77.2 | Confident | 161 Ų | 161 | 99.6 Ų | 99.6 | 70% | 0.7 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.4 | -36.7 | 175.7 | -163.1 | 171.4 | -172.4 | 173.7 | 0 | 111.9 | V11 K12 E13 A19 | V11-K15 WeakPolarHBondContact O-CB 3.24Å; V11-K15 PolarHBondContact O-N 3.48Å; K12-K15 PolarHBondContact O-N 3.24Å; E13-K15 VanDerWaalsContact C-N 3.35Å; K15-A19 VanDerWaalsContact O-CB 3.31Å; K15-A19 WeakPolarHBondContact O-CB 3.47Å; K15-A19 PolarHBondContact O-N 2.84Å |
| 16 | A | 78.6 | Confident | 76.6 | Confident | 56 Ų | 56 | 100.9 Ų | 100.9 | 46% | 0.463 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.4 | -40.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K12 E13 S20 | K12-A16 PolarHBondContact O-N 3.38Å; E13-A16 PolarHBondContact O-N 2.67Å; A16-S20 WeakPolarHBondContact O-CB 3.14Å; A16-S20 PolarHBondContact O-N 3.32Å; A16-S20 PolarHBondContact O-OG 2.97Å |
| 17 | K | 68.1 | Low | 75.9 | Confident | 115 Ų | 115 | 99.7 Ų | 99.7 | 50% | 0.5 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 173.4 | -75.4 | 179.8 | -173.7 | 163.3 | 0 | 111.9 | E13 Q14 S20 G21 | E13-K17 PolarHBondContact O-N 3.08Å; E13-K17 WeakPolarHBondContact OE1-CE 3.38Å; E13-K17 IonicContact OE1-NZ 2.8Å; E13-K17 PolarHBondContact OE1-NZ 3.17Å; Q14-K17 PolarHBondContact O-N 3.29Å; K17-S20 PolarHBondContact O-N 2.77Å; K17-G21 PolarHBondContact O-N 3.23Å |
| 18 | N | 67.7 | Low | 75.4 | Confident | 110 Ų | 110 | 100.1 Ų | 100.1 | 59% | 0.588 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.9 | -47.6 | 175.5 | -169.7 | -39.7 | 0 | 0 | 0 | 110.5 | Q14 S20 G21 V22 | Q14-N18 VanDerWaalsContact O-CB 3.28Å; Q14-N18 WeakPolarHBondContact O-CB 2.8Å; Q14-N18 PolarHBondContact O-N 2.79Å; N18-S20 VanDerWaalsContact C-N 3.3Å; N18-S20 PolarHBondContact O-N 2.93Å; N18-G21 PolarHBondContact O-N 3.12Å; N18-V22 WeakPolarHBondContact O-CB 3.44Å; N18-V22 WeakPolarHBondContact O-CG2 3.18Å; N18-V22 PolarHBondContact O-N 3.37Å; N18-V22 VanDerWaalsContact OD1-CG2 3.29Å; N18-V22 WeakPolarHBondContact OD1-CG2 3.43Å |
| 19 | A | 75.5 | Confident | 74.5 | Confident | 52 Ų | 52 | 97.7 Ų | 97.7 | 43% | 0.43 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.5 | -40.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | K15 V22 R23 | K15-A19 VanDerWaalsContact O-CB 3.31Å; K15-A19 WeakPolarHBondContact O-CB 3.47Å; K15-A19 PolarHBondContact O-N 2.84Å; A19-V22 PolarHBondContact O-N 2.73Å; A19-R23 WeakPolarHBondContact O-CG 3.33Å; A19-R23 PolarHBondContact O-N 3.39Å |
| 20 | S | 67 | Low | 73.6 | Confident | 69 Ų | 69 | 97 Ų | 97 | 48% | 0.483 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.9 | -41.5 | 177 | -58.3 | 0 | 0 | 0 | 0 | 112.3 | A16 K17 N18 R23 L24 | A16-S20 WeakPolarHBondContact O-CB 3.14Å; A16-S20 PolarHBondContact O-N 3.32Å; A16-S20 PolarHBondContact O-OG 2.97Å; K17-S20 PolarHBondContact O-N 2.77Å; N18-S20 VanDerWaalsContact C-N 3.3Å; N18-S20 PolarHBondContact O-N 2.93Å; S20-R23 PolarHBondContact O-N 3.31Å; S20-L24 WeakPolarHBondContact O-CB 3.48Å; S20-L24 PolarHBondContact O-N 3.41Å |
| 21 | G | 65.3 | Low | 72.9 | Confident | 42 Ų | 42 | 93 Ų | 93 | 43% | 0.433 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.1 | -37 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | K17 N18 L24 G25 | K17-G21 PolarHBondContact O-N 3.23Å; N18-G21 PolarHBondContact O-N 3.12Å; G21-L24 PolarHBondContact O-N 3.38Å; G21-G25 PolarHBondContact O-N 2.83Å |
| 22 | V | 69.7 | Low | 72.2 | Confident | 78 Ų | 78 | 95 Ų | 95 | 47% | 0.473 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 171.7 | 170.5 | 0 | 0 | 0 | 0 | 110 | N18 A19 G25 V26 | N18-V22 WeakPolarHBondContact O-CB 3.44Å; N18-V22 WeakPolarHBondContact O-CG2 3.18Å; N18-V22 PolarHBondContact O-N 3.37Å; N18-V22 VanDerWaalsContact OD1-CG2 3.29Å; N18-V22 WeakPolarHBondContact OD1-CG2 3.43Å; A19-V22 PolarHBondContact O-N 2.73Å; V22-G25 PolarHBondContact O-N 2.98Å; V22-V26 HydrophobicContact CG1-CG2 4.31Å; V22-V26 WeakPolarHBondContact O-CB 3.47Å; V22-V26 WeakPolarHBondContact O-CG2 3.12Å; V22-V26 PolarHBondContact O-N 3.45Å |
| 23 | R | 64.5 | Low | 71.3 | Confident | 189 Ų | 189 | 88.9 Ų | 88.9 | 71% | 0.713 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.3 | -42.6 | 175.1 | -70.9 | -176.1 | 78.9 | -163.2 | 4 | 112.9 | A19 S20 G25 V26 L27 | A19-R23 WeakPolarHBondContact O-CG 3.33Å; A19-R23 PolarHBondContact O-N 3.39Å; S20-R23 PolarHBondContact O-N 3.31Å; R23-G25 VanDerWaalsContact C-N 3.35Å; R23-V26 PolarHBondContact O-N 3Å; R23-L27 WeakPolarHBondContact O-CB 3.27Å; R23-L27 PolarHBondContact O-N 3.45Å |
| 24 | L | 58.8 | Low | 70.9 | Confident | 125 Ų | 125 | 88.2 Ų | 88.2 | 65% | 0.654 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.9 | -40.4 | 173.1 | -104.8 | 144.3 | 0 | 0 | 0 | 111.6 | S20 G21 L27 N28 | S20-L24 WeakPolarHBondContact O-CB 3.48Å; S20-L24 PolarHBondContact O-N 3.41Å; G21-L24 PolarHBondContact O-N 3.38Å; L24-L27 PolarHBondContact O-N 3.49Å; L24-N28 VanDerWaalsContact O-CB 3.27Å; L24-N28 WeakPolarHBondContact O-CB 3.14Å; L24-N28 PolarHBondContact O-N 3.25Å |
| 25 | G | 64.5 | Low | 70.7 | Confident | 37 Ų | 37 | 91.2 Ų | 91.2 | 38% | 0.381 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.9 | -40.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G21 V22 R23 N28 A29 | G21-G25 PolarHBondContact O-N 2.83Å; V22-G25 PolarHBondContact O-N 2.98Å; R23-G25 VanDerWaalsContact C-N 3.35Å; G25-N28 PolarHBondContact O-N 2.82Å; G25-A29 VanDerWaalsContact O-CB 3.26Å; G25-A29 WeakPolarHBondContact O-CB 3.14Å; G25-A29 PolarHBondContact O-N 3.18Å |
| 26 | V | 73.3 | Confident | 70.4 | Confident | 88 Ų | 88 | 89.5 Ų | 89.5 | 53% | 0.533 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.9 | -38.7 | 175.5 | 170.4 | 0 | 0 | 0 | 0 | 111.4 | V22 R23 A29 N30 | V22-V26 HydrophobicContact CG1-CG2 4.31Å; V22-V26 WeakPolarHBondContact O-CB 3.47Å; V22-V26 WeakPolarHBondContact O-CG2 3.12Å; V22-V26 PolarHBondContact O-N 3.45Å; R23-V26 PolarHBondContact O-N 3Å; V26-A29 PolarHBondContact O-N 2.88Å; V26-N30 WeakPolarHBondContact O-CB 3.08Å; V26-N30 VanDerWaalsContact O-CG 3.31Å; V26-N30 PolarHBondContact O-N 2.85Å; V26-N30 PolarHBondContact O-ND2 3.41Å |
| 27 | L | 70.9 | Confident | 69.9 | Low | 102 Ų | 102 | 93 Ų | 93 | 53% | 0.534 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.7 | -39.4 | 170.5 | -83.8 | 160.8 | 0 | 0 | 0 | 112.1 | R23 L24 A29 N30 A31 | R23-L27 WeakPolarHBondContact O-CB 3.27Å; R23-L27 PolarHBondContact O-N 3.45Å; L24-L27 PolarHBondContact O-N 3.49Å; L27-A29 VanDerWaalsContact C-N 3.33Å; L27-N30 WeakPolarHBondContact CA-OD1 3.03Å; L27-N30 PolarHBondContact O-OD1 3.47Å; L27-A31 WeakPolarHBondContact O-CB 3.37Å; L27-A31 PolarHBondContact O-N 2.71Å |
| 28 | N | 71.9 | Confident | 69.8 | Low | 113 Ų | 113 | 95.9 Ų | 95.9 | 60% | 0.604 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68 | -37.2 | 174.4 | -174.8 | 64.2 | 0 | 0 | 0 | 111 | L24 G25 F32 | L24-N28 VanDerWaalsContact O-CB 3.27Å; L24-N28 WeakPolarHBondContact O-CB 3.14Å; L24-N28 PolarHBondContact O-N 3.25Å; G25-N28 PolarHBondContact O-N 2.82Å; N28-F32 WeakPolarHBondContact O-CB 3.46Å; N28-F32 PolarHBondContact O-N 3.48Å |
| 29 | A | 69 | Low | 69.5 | Low | 60 Ų | 60 | 94.7 Ų | 94.7 | 50% | 0.496 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68 | -41.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G25 V26 L27 F32 G33 | G25-A29 VanDerWaalsContact O-CB 3.26Å; G25-A29 WeakPolarHBondContact O-CB 3.14Å; G25-A29 PolarHBondContact O-N 3.18Å; V26-A29 PolarHBondContact O-N 2.88Å; L27-A29 VanDerWaalsContact C-N 3.33Å; A29-F32 PolarHBondContact O-N 3.01Å; A29-G33 PolarHBondContact O-N 3.39Å |
| 30 | N | 74.2 | Confident | 68.9 | Low | 86 Ų | 86 | 95.9 Ų | 95.9 | 46% | 0.46 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71.9 | -35 | 177 | 70.8 | 24.8 | 0 | 0 | 0 | 112.3 | V26 L27 G33 T34 | V26-N30 WeakPolarHBondContact O-CB 3.08Å; V26-N30 VanDerWaalsContact O-CG 3.31Å; V26-N30 PolarHBondContact O-N 2.85Å; V26-N30 PolarHBondContact O-ND2 3.41Å; L27-N30 WeakPolarHBondContact CA-OD1 3.03Å; L27-N30 PolarHBondContact O-OD1 3.47Å; N30-G33 PolarHBondContact O-N 3.2Å; N30-T34 PolarHBondContact O-N 3.32Å; N30-T34 VanDerWaalsContact O-N 3.08Å; N30-T34 PolarHBondContact O-OG1 2.85Å |
| 31 | A | 71.6 | Confident | 68.3 | Low | 53 Ų | 53 | 94.1 Ų | 94.1 | 44% | 0.438 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.6 | -43.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L27 T34 W35 | L27-A31 WeakPolarHBondContact O-CB 3.37Å; L27-A31 PolarHBondContact O-N 2.71Å; A31-T34 PolarHBondContact O-N 2.76Å; A31-W35 PolarHBondContact O-N 3.24Å |
| 32 | F | 73.9 | Confident | 67.9 | Low | 122 Ų | 122 | 98.4 Ų | 98.4 | 54% | 0.535 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.5 | -40 | 176.5 | -170.8 | -97.1 | 0 | 0 | 0 | 111.9 | N28 A29 W35 K36 | N28-F32 WeakPolarHBondContact O-CB 3.46Å; N28-F32 PolarHBondContact O-N 3.48Å; A29-F32 PolarHBondContact O-N 3.01Å; F32-W35 AromaticContact CD2-CE3 3.81Å; F32-W35 HydrophobicContact CD2-CE3 3.81Å; F32-W35 HydrophobicContact CD2-CZ3 4Å; F32-W35 AromaticContact CE2-CE3 3.66Å; F32-W35 HydrophobicContact CE2-CE3 3.66Å; F32-W35 AromaticContact CE2-CZ3 3.37Å; F32-W35 HydrophobicContact CE2-CZ3 3.37Å; F32-W35 HydrophobicContact CZ-CE3 4.26Å; F32-W35 AromaticContact CZ-CZ3 3.89Å; F32-W35 HydrophobicContact CZ-CZ3 3.89Å; F32-W35 PolarHBondContact O-N 3.32Å; F32-K36 WeakPolarHBondContact O-CB 2.95Å; F32-K36 PolarHBondContact O-N 3.41Å |
| 33 | G | 71.1 | Confident | 66.9 | Low | 28 Ų | 28 | 101 Ų | 101 | 29% | 0.289 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61 | -43.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A29 N30 W35 K36 E37 | A29-G33 PolarHBondContact O-N 3.39Å; N30-G33 PolarHBondContact O-N 3.2Å; G33-W35 PolarHBondContact O-N 3.5Å; G33-K36 WeakPolarHBondContact O-CB 3.46Å; G33-K36 PolarHBondContact O-N 3.17Å; G33-E37 WeakPolarHBondContact O-CG 3.08Å; G33-E37 PolarHBondContact O-N 3.39Å |
| 34 | T | 76.6 | Confident | 66.1 | Low | 88 Ų | 88 | 97.1 Ų | 97.1 | 54% | 0.54 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.3 | -39.1 | 177 | -54.4 | 0 | 0 | 0 | 0 | 111.8 | N30 A31 E37 K38 | N30-T34 PolarHBondContact O-N 3.32Å; N30-T34 VanDerWaalsContact O-N 3.08Å; N30-T34 PolarHBondContact O-OG1 2.85Å; A31-T34 PolarHBondContact O-N 2.76Å; T34-E37 PolarHBondContact O-N 3.49Å; T34-K38 PolarHBondContact O-N 3.27Å |
| 35 | W | 72.2 | Confident | 65.3 | Low | 142 Ų | 142 | 100.8 Ų | 100.8 | 54% | 0.538 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.7 | -42.7 | 175.1 | 174.2 | 66.3 | 0 | 0 | 0 | 112.4 | A31 F32 G33 E37 K38 L39 | A31-W35 PolarHBondContact O-N 3.24Å; F32-W35 AromaticContact CD2-CE3 3.81Å; F32-W35 HydrophobicContact CD2-CE3 3.81Å; F32-W35 HydrophobicContact CD2-CZ3 4Å; F32-W35 AromaticContact CE2-CE3 3.66Å; F32-W35 HydrophobicContact CE2-CE3 3.66Å; F32-W35 AromaticContact CE2-CZ3 3.37Å; F32-W35 HydrophobicContact CE2-CZ3 3.37Å; F32-W35 HydrophobicContact CZ-CE3 4.26Å; F32-W35 AromaticContact CZ-CZ3 3.89Å; F32-W35 HydrophobicContact CZ-CZ3 3.89Å; F32-W35 PolarHBondContact O-N 3.32Å; G33-W35 PolarHBondContact O-N 3.5Å; W35-E37 VanDerWaalsContact C-N 3.3Å; W35-E37 PolarHBondContact O-N 3.32Å; W35-K38 CarbonylContact O-C 3.57Å; W35-K38 WeakPolarHBondContact O-CA 3.47Å; W35-K38 WeakPolarHBondContact O-CB 3.4Å; W35-K38 PolarHBondContact O-N 3.25Å; W35-K38 VanDerWaalsContact O-N 3.11Å; W35-L39 HydrophobicContact CD2-CD1 3.66Å; W35-L39 HydrophobicContact CD2-CG 4.28Å; W35-L39 HydrophobicContact CE3-CD1 3.79Å; W35-L39 HydrophobicContact CG-CD1 4.47Å; W35-L39 HydrophobicContact CH2-CD1 3.52Å; W35-L39 HydrophobicContact CZ2-CD1 3.38Å; W35-L39 HydrophobicContact CZ2-CD2 4.44Å; W35-L39 HydrophobicContact CZ2-CG 4.25Å; W35-L39 HydrophobicContact CZ3-CD1 3.69Å; W35-L39 WeakPolarHBondContact O-CG 3.49Å; W35-L39 PolarHBondContact O-N 3.35Å |
| 36 | K | 74.1 | Confident | 64.4 | Low | 124 Ų | 124 | 105.4 Ų | 105.4 | 54% | 0.539 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -53.9 | -46.6 | 171.9 | 162.8 | -158.9 | 171.1 | -163.4 | 0 | 111.1 | F32 G33 K38 L39 S40 | F32-K36 WeakPolarHBondContact O-CB 2.95Å; F32-K36 PolarHBondContact O-N 3.41Å; G33-K36 WeakPolarHBondContact O-CB 3.46Å; G33-K36 PolarHBondContact O-N 3.17Å; K36-K38 VanDerWaalsContact C-N 3.28Å; K36-K38 PolarHBondContact O-N 3.34Å; K36-L39 CarbonylContact O-C 3.47Å; K36-L39 WeakPolarHBondContact O-CA 3.32Å; K36-L39 WeakPolarHBondContact O-CB 3.33Å; K36-L39 PolarHBondContact O-N 2.94Å; K36-S40 PolarHBondContact O-N 2.87Å; K36-S40 PolarHBondContact O-OG 3.24Å; K36-S40 VanDerWaalsContact O-OG 3.09Å |
| 37 | E | 67.1 | Low | 62.7 | Low | 131 Ų | 131 | 106.1 Ų | 106.1 | 61% | 0.612 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -59.3 | -41 | 178.1 | -75.9 | -86.8 | 123.1 | 0 | 0 | 111.4 | G33 T34 W35 L39 S40 G41 | G33-E37 WeakPolarHBondContact O-CG 3.08Å; G33-E37 PolarHBondContact O-N 3.39Å; T34-E37 PolarHBondContact O-N 3.49Å; W35-E37 VanDerWaalsContact C-N 3.3Å; W35-E37 PolarHBondContact O-N 3.32Å; E37-L39 VanDerWaalsContact C-N 3.29Å; E37-L39 PolarHBondContact O-N 2.95Å; E37-S40 WeakPolarHBondContact CA-OG 3.34Å; E37-S40 PolarHBondContact O-N 3.4Å; E37-S40 PolarHBondContact O-OG 2.9Å; E37-G41 PolarHBondContact O-N 2.88Å |
| 38 | K | 66 | Low | 61.5 | Low | 174 Ų | 174 | 107.2 Ų | 107.2 | 76% | 0.757 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.8 | -28.7 | 173.4 | -68.5 | -160.3 | 177.4 | -149.2 | 0 | 113.4 | T34 W35 K36 | T34-K38 PolarHBondContact O-N 3.27Å; W35-K38 CarbonylContact O-C 3.57Å; W35-K38 WeakPolarHBondContact O-CA 3.47Å; W35-K38 WeakPolarHBondContact O-CB 3.4Å; W35-K38 PolarHBondContact O-N 3.25Å; W35-K38 VanDerWaalsContact O-N 3.11Å; K36-K38 VanDerWaalsContact C-N 3.28Å; K36-K38 PolarHBondContact O-N 3.34Å |
| 39 | L | 61.9 | Low | 59.9 | Low | 85 Ų | 85 | 107 Ų | 107 | 45% | 0.445 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -80.7 | -27.4 | 173.7 | -71.3 | 175.1 | 0 | 0 | 0 | 113.5 | W35 K36 E37 G41 | W35-L39 HydrophobicContact CD2-CD1 3.66Å; W35-L39 HydrophobicContact CD2-CG 4.28Å; W35-L39 HydrophobicContact CE3-CD1 3.79Å; W35-L39 HydrophobicContact CG-CD1 4.47Å; W35-L39 HydrophobicContact CH2-CD1 3.52Å; W35-L39 HydrophobicContact CZ2-CD1 3.38Å; W35-L39 HydrophobicContact CZ2-CD2 4.44Å; W35-L39 HydrophobicContact CZ2-CG 4.25Å; W35-L39 HydrophobicContact CZ3-CD1 3.69Å; W35-L39 WeakPolarHBondContact O-CG 3.49Å; W35-L39 PolarHBondContact O-N 3.35Å; K36-L39 CarbonylContact O-C 3.47Å; K36-L39 WeakPolarHBondContact O-CA 3.32Å; K36-L39 WeakPolarHBondContact O-CB 3.33Å; K36-L39 PolarHBondContact O-N 2.94Å; E37-L39 VanDerWaalsContact C-N 3.29Å; E37-L39 PolarHBondContact O-N 2.95Å; L39-G41 VanDerWaalsContact C-N 3.28Å |
| 40 | S | 63 | Low | 58.4 | Low | 77 Ų | 77 | 111.4 Ų | 111.4 | 54% | 0.538 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -80.5 | -8.3 | 176 | 47.6 | 0 | 0 | 0 | 0 | 113.5 | K36 E37 | K36-S40 PolarHBondContact O-N 2.87Å; K36-S40 PolarHBondContact O-OG 3.24Å; K36-S40 VanDerWaalsContact O-OG 3.09Å; E37-S40 WeakPolarHBondContact CA-OG 3.34Å; E37-S40 PolarHBondContact O-N 3.4Å; E37-S40 PolarHBondContact O-OG 2.9Å |
| 41 | G | 54.7 | Low | 57.1 | Low | 33 Ų | 33 | 112.1 Ų | 112.1 | 34% | 0.34 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -49.6 | 139.8 | 160 | 0 | 0 | 0 | 0 | 0 | 109.3 | E37 L39 L43 | E37-G41 PolarHBondContact O-N 2.88Å; L39-G41 VanDerWaalsContact C-N 3.28Å; G41-L43 PolarHBondContact O-N 3.35Å |
| 42 | P | 56.8 | Low | 55.7 | Low | 132 Ų | 132 | 115.6 Ų | 115.6 | 86% | 0.857 | 64% | 0.635 | S | S | * | * | trans | -49.5 | 108.4 | -170.8 | 17.6 | -30.5 | 0 | 0 | 0 | 109.5 | ||||
| 43 | L | 48 | Very low | 53.8 | Low | 131 Ų | 131 | 118.4 Ų | 118.4 | 69% | 0.686 | 66% | 0.655 | S | S | * | * | trans | -47.8 | 128.8 | 178.6 | -66.2 | 170.9 | 0 | 0 | 0 | 106.6 | G41 K45 | G41-L43 PolarHBondContact O-N 3.35Å; L43-K45 PolarHBondContact O-N 3.22Å | ||
| 44 | P | 49.5 | Very low | 52 | Low | 108 Ų | 108 | 119.4 Ų | 119.4 | 70% | 0.701 | 67% | 0.665 | S | S | * | * | trans | -50.3 | 116.8 | 173.7 | 21.5 | -31.2 | 0 | 0 | 0 | 105.5 | I46 | P44-I46 PolarHBondContact O-N 3.17Š| ||
| 45 | K | 41 | Very low | 49.7 | Very low | 202 Ų | 202 | 124.2 Ų | 124.2 | 88% | 0.878 | 68% | 0.679 | S | S | * | * | trans | -60.5 | 91.8 | 179.8 | -75.6 | 171.5 | -179.4 | 165.7 | 0 | 105.3 | L43 S47 | L43-K45 PolarHBondContact O-N 3.22Å; K45-S47 PolarHBondContact O-N 2.94Å | ||
| 46 | I | 44.8 | Very low | 48.2 | Very low | 134 Ų | 134 | 123.3 Ų | 123.3 | 69% | 0.687 | 69% | 0.691 | S | S | * | * | trans | -64.9 | 93.2 | 165.8 | -62 | 172.6 | 0 | 0 | 0 | 102.3 | P44 I48 | P44-I46 PolarHBondContact O-N 3.17Å; I46-I48 HydrophobicContact CG2-CD1 3.54Å; I46-I48 HydrophobicContact CG2-CG1 3.73Å; I46-I48 PolarHBondContact O-N 3.32Å | ||
| 47 | S | 39.2 | Very low | 46.2 | Very low | 104 Ų | 104 | 122.9 Ų | 122.9 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | trans | -69.6 | 67.1 | 172.3 | 54.4 | 0 | 0 | 0 | 0 | 107.6 | K45 S49 | K45-S47 PolarHBondContact O-N 2.94Å; S47-S49 PolarHBondContact O-N 2.71Å; S47-S49 VanDerWaalsContact O-N 3.09Å | ||
| 48 | I | 44.2 | Very low | 44.8 | Very low | 124 Ų | 124 | 125.5 Ų | 125.5 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | trans | -67.8 | 100.2 | 152 | -74.1 | 152.2 | 0 | 0 | 0 | 102.8 | I46 L50 | I46-I48 HydrophobicContact CG2-CD1 3.54Å; I46-I48 HydrophobicContact CG2-CG1 3.73Å; I46-I48 PolarHBondContact O-N 3.32Å; I48-L50 PolarHBondContact O-N 2.77Å | ||
| 49 | S | 39.5 | Very low | 43.4 | Very low | 110 Ų | 110 | 122.8 Ų | 122.8 | 77% | 0.769 | 72% | 0.716 | S | S | * | * | trans | -49.4 | 98.4 | 166 | -67.5 | 0 | 0 | 0 | 0 | 107 | S47 P51 | S47-S49 PolarHBondContact O-N 2.71Å; S47-S49 VanDerWaalsContact O-N 3.09Å; S49-P51 WeakPolarHBondContact O-CD 3.46Å; S49-P51 VanDerWaalsContact O-N 3.16Å | ||
| 50 | L | 37 | Very low | 42.3 | Very low | 151 Ų | 151 | 127.6 Ų | 127.6 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | trans | -68.3 | 108 | -178.7 | -158.3 | 73.5 | 0 | 0 | 0 | 106 | I48 | I48-L50 PolarHBondContact O-N 2.77Š| ||
| 51 | P | 47 | Very low | 41.1 | Very low | 101 Ų | 101 | 128 Ų | 128 | 66% | 0.656 | 75% | 0.75 | S | S | * | * | trans | -65.3 | 151.8 | 175.2 | -11.5 | 28.8 | 0 | 0 | 0 | 108.5 | S49 L53 | S49-P51 WeakPolarHBondContact O-CD 3.46Å; S49-P51 VanDerWaalsContact O-N 3.16Å; P51-L53 PolarHBondContact O-N 3.35Å | ||
| 52 | P | 42.2 | Very low | 40.5 | Very low | 126 Ų | 126 | 130.7 Ų | 130.7 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -52.5 | 127.3 | -168.9 | -24.1 | 32.2 | 0 | 0 | 0 | 112.6 | G54 | P52-G54 VanDerWaalsContact C-N 3.31Å; P52-G54 PolarHBondContact O-N 3.28Å | ||
| 53 | L | 34.1 | Very low | 39.7 | Very low | 181 Ų | 181 | 130.8 Ų | 130.8 | 95% | 0.948 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -52.7 | 87.6 | 170.9 | -172.8 | 72.1 | 0 | 0 | 0 | 109.9 | P51 | P51-L53 PolarHBondContact O-N 3.35Š|
| 54 | G | 32.5 | Very low | 39.7 | Very low | 49 Ų | 49 | 130 Ų | 130 | 51% | 0.505 | 75% | 0.75 | S | S | . | * | trans | -166.5 | 43.8 | -164.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | P52 | P52-G54 VanDerWaalsContact C-N 3.31Å; P52-G54 PolarHBondContact O-N 3.28Å | ||
| 55 | K | 29.7 | Very low | 39.4 | Very low | 190 Ų | 190 | 128.7 Ų | 128.7 | 83% | 0.826 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 172.6 | 131.8 | 136.1 | -89.2 | 164.1 | -153.2 | 84.4 | 0 | 109 | ||
| 56 | P | 40.1 | Very low | 39.1 | Very low | 122 Ų | 122 | 128.9 Ų | 128.9 | 79% | 0.792 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -83.4 | 143.5 | -165.8 | 22.4 | -11.2 | 0 | 0 | 0 | 111.6 | ||
| 57 | S | 32.4 | Very low | 38.6 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | 93.2 | 50.5 | 173.6 | 73.3 | 0 | 0 | 0 | 0 | 118.8 | P59 | S57-P59 WeakPolarHBondContact O-CD 3.32Š| ||
| 58 | E | 36.8 | Very low | 38.1 | Very low | 187 Ų | 187 | 136.4 Ų | 136.4 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | trans | -109.9 | 102.7 | 165.7 | -64 | -160.5 | 136.2 | 0 | 0 | 111.4 | ||||
| 59 | P | 36.5 | Very low | 37.8 | Very low | 117 Ų | 117 | 140 Ų | 140 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | trans | -66.8 | 135.4 | 179.1 | 26 | -30.7 | 0 | 0 | 0 | 110.9 | S57 A61 | S57-P59 WeakPolarHBondContact O-CD 3.32Å; P59-A61 PolarHBondContact O-N 3.39Å | ||
| 60 | L | 39.3 | Very low | 37.4 | Very low | 185 Ų | 185 | 139.5 Ų | 139.5 | 97% | 0.969 | 77% | 0.768 | S | S | * | * | trans | -27.5 | 92.3 | 166.5 | -62.5 | 167.8 | 0 | 0 | 0 | 113.6 | ||||
| 61 | A | 38.3 | Very low | 37.4 | Very low | 87 Ų | 87 | 137.3 Ų | 137.3 | 72% | 0.719 | 77% | 0.766 | S | S | * | * | trans | -151.8 | 90.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | P59 | P59-A61 PolarHBondContact O-N 3.39Š| ||
| 62 | F | 42.5 | Very low | 36.8 | Very low | 88 Ų | 88 | 137.5 Ų | 137.5 | 39% | 0.386 | 77% | 0.768 | S | S | . | * | trans | 40.5 | 95.5 | 132.1 | -172.4 | -118.2 | 0 | 0 | 0 | 116.7 | V64 L127 L135 | F62-V64 PolarHBondContact O-N 2.79Å; F62-L127 HydrophobicContact CD1-CD2 4.21Å; F62-L135 HydrophobicContact CD2-CD1 4.16Å; F62-L135 HydrophobicContact CD2-CD2 3.5Å; F62-L135 HydrophobicContact CD2-CG 4.45Å; F62-L135 HydrophobicContact CE1-CD2 4.24Å; F62-L135 HydrophobicContact CE2-CD1 3.26Å; F62-L135 HydrophobicContact CE2-CD2 3.2Å; F62-L135 HydrophobicContact CE2-CG 3.79Å; F62-L135 HydrophobicContact CG-CD2 4.2Å; F62-L135 HydrophobicContact CZ-CB 4.49Å; F62-L135 HydrophobicContact CZ-CD1 3.83Å; F62-L135 HydrophobicContact CZ-CD2 3.58Å; F62-L135 HydrophobicContact CZ-CG 4.16Å | ||
| 63 | T | 39.8 | Very low | 36.4 | Very low | 135 Ų | 135 | 139.8 Ų | 139.8 | 83% | 0.828 | 77% | 0.765 | S | S | * | * | trans | -54.8 | 107.3 | 173.7 | -54 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 64 | V | 47.3 | Very low | 37.1 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | trans | -50.5 | 125.2 | 175.4 | 175 | 0 | 0 | 0 | 0 | 110.4 | F62 K66 | F62-V64 PolarHBondContact O-N 2.79Å; V64-K66 PolarHBondContact O-N 3.04Å; V64-K66 VanDerWaalsContact O-N 3.13Å | ||
| 65 | P | 44.5 | Very low | 38 | Very low | 82 Ų | 82 | 137.8 Ų | 137.8 | 53% | 0.532 | 75% | 0.754 | S | S | . | * | trans | -62 | 119.8 | 169 | 24.9 | -31 | 0 | 0 | 0 | 108.5 | K67 | P65-K67 VanDerWaalsContact C-N 3.29Å; P65-K67 PolarHBondContact O-N 3.41Å | ||
| 66 | K | 33.4 | Very low | 38.9 | Very low | 205 Ų | 205 | 134.6 Ų | 134.6 | 89% | 0.891 | 75% | 0.746 | S | S | * | * | trans | -56.7 | 86.9 | 173.5 | -81.2 | -115.5 | -174.3 | 169.4 | 0 | 110.2 | V64 | V64-K66 PolarHBondContact O-N 3.04Å; V64-K66 VanDerWaalsContact O-N 3.13Å | ||
| 67 | K | 34.2 | Very low | 39.8 | Very low | 202 Ų | 202 | 134.1 Ų | 134.1 | 88% | 0.878 | 74% | 0.741 | S | S | * | * | trans | -80.5 | 123 | 164.7 | -153.6 | -176.1 | -175.1 | -165.2 | 0 | 107 | P65 E69 | P65-K67 VanDerWaalsContact C-N 3.29Å; P65-K67 PolarHBondContact O-N 3.41Å; K67-E69 PolarHBondContact O-N 2.92Å | ||
| 68 | K | 29.3 | Very low | 40.9 | Very low | 194 Ų | 194 | 138.6 Ų | 138.6 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | trans | -40 | 123.9 | -176.7 | -68.6 | 176.6 | 179.6 | -179.5 | 0 | 111.5 | S70 | K68-S70 PolarHBondContact O-N 3.4Š| ||
| 69 | E | 36.7 | Very low | 41.7 | Very low | 200 Ų | 200 | 138.9 Ų | 138.9 | 94% | 0.935 | 73% | 0.733 | S | S | * | * | trans | -50.8 | 96.4 | 166.9 | -163.7 | 158.5 | 131.4 | 0 | 0 | 109.5 | K67 | K67-E69 PolarHBondContact O-N 2.92Š| ||
| 70 | S | 32.9 | Very low | 42.6 | Very low | 99 Ų | 99 | 139.7 Ų | 139.7 | 69% | 0.692 | 72% | 0.724 | S | S | * | * | trans | -130.5 | 99.7 | 159.3 | 63.1 | 0 | 0 | 0 | 0 | 106.8 | K68 | K68-S70 PolarHBondContact O-N 3.4Š| ||
| 71 | S | 36.7 | Very low | 43.7 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 73% | 0.734 | 70% | 0.704 | S | S | * | * | trans | 55.6 | 92.8 | 146.5 | -50.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 72 | C | 34.2 | Very low | 45.1 | Very low | 105 Ų | 105 | 133.1 Ų | 133.1 | 71% | 0.709 | 69% | 0.687 | S | S | * | * | 32.6 | 110.4 | 117.4 | -145.6 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 73 | F | 32.6 | Very low | 46.3 | Very low | 174 Ų | 174 | 134.5 Ų | 134.5 | 76% | 0.763 | 69% | 0.694 | S | S | * | * | trans | 78.9 | 113.2 | 174.7 | -51.6 | -80.3 | 0 | 0 | 0 | 115.3 | ||||
| 74 | P | 49.3 | Very low | 47.7 | Very low | 89 Ų | 89 | 131.8 Ų | 131.8 | 58% | 0.578 | 68% | 0.681 | S | S | * | * | cis | -137.3 | 128.8 | 47 | 29.6 | -8.4 | 0 | 0 | 0 | 114.7 | L76 | P74-L76 HydrophobicContact CB-CG 4.47Å; P74-L76 PolarHBondContact O-N 3.34Å | ||
| 75 | P | 50.9 | Low | 48.9 | Very low | 99 Ų | 99 | 128.9 Ų | 128.9 | 64% | 0.643 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | 6.1 | 172.2 | -16.1 | 29.8 | 0 | 0 | 0 | 115.1 | V77 | P75-V77 VanDerWaalsContact C-N 3.31Å; P75-V77 PolarHBondContact O-N 3Å |
| 76 | L | 48.3 | Very low | 50.1 | Low | 123 Ų | 123 | 128.7 Ų | 128.7 | 64% | 0.644 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -10.2 | -170.4 | -59.7 | -178.5 | 0 | 0 | 0 | 114.3 | P74 R78 K80 | P74-L76 HydrophobicContact CB-CG 4.47Å; P74-L76 PolarHBondContact O-N 3.34Å; L76-R78 VanDerWaalsContact C-N 3.33Å; L76-R78 PolarHBondContact O-N 3.39Å; L76-K80 WeakPolarHBondContact O-CG 3.43Å |
| 77 | V | 59.6 | Low | 51.8 | Low | 113 Ų | 113 | 121.7 Ų | 121.7 | 69% | 0.685 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -79.2 | -13.1 | 178.5 | -63.4 | 0 | 0 | 0 | 0 | 113.9 | P75 | P75-V77 VanDerWaalsContact C-N 3.31Å; P75-V77 PolarHBondContact O-N 3Å |
| 78 | R | 55.6 | Low | 53.5 | Low | 209 Ų | 209 | 117.6 Ų | 117.6 | 79% | 0.789 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -74.9 | -30.2 | -179.2 | -128.9 | 175.1 | -166.3 | 138.2 | 1.6 | 113.2 | L76 | L76-R78 VanDerWaalsContact C-N 3.33Å; L76-R78 PolarHBondContact O-N 3.39Å |
| 79 | W | 54.3 | Low | 55.6 | Low | 192 Ų | 192 | 109.2 Ų | 109.2 | 73% | 0.727 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -102.5 | -29.7 | -174.4 | -65.3 | 89.6 | 0 | 0 | 0 | 113.4 | S81 V82 E83 | W79-S81 VanDerWaalsContact C-N 3.29Å; W79-S81 PolarHBondContact O-N 3.41Å; W79-V82 PolarHBondContact O-N 3.3Å; W79-V82 VanDerWaalsContact O-N 3.12Å; W79-E83 PolarHBondContact O-N 3.18Å |
| 80 | K | 55.7 | Low | 57.2 | Low | 134 Ų | 134 | 106.9 Ų | 106.9 | 58% | 0.583 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.6 | -28.3 | -179.1 | -71.3 | -76.1 | 151 | 80.7 | 0 | 114 | L76 E83 S84 | L76-K80 WeakPolarHBondContact O-CG 3.43Å; K80-E83 WeakPolarHBondContact CD-OE2 3.28Å; K80-E83 VanDerWaalsContact CE-OE2 3.3Å; K80-E83 WeakPolarHBondContact CE-OE2 3.17Å; K80-S84 PolarHBondContact O-N 3.3Å |
| 81 | S | 62.6 | Low | 59.1 | Low | 78 Ų | 78 | 109.6 Ų | 109.6 | 55% | 0.545 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -78 | -32.7 | 174.2 | -56.7 | 0 | 0 | 0 | 0 | 112.4 | W79 E83 S84 F85 | W79-S81 VanDerWaalsContact C-N 3.29Å; W79-S81 PolarHBondContact O-N 3.41Å; S81-E83 VanDerWaalsContact C-N 3.34Å; S81-S84 PolarHBondContact O-N 3.42Å; S81-F85 WeakPolarHBondContact O-CB 3.18Å; S81-F85 PolarHBondContact O-N 3.48Å |
| 82 | V | 66.3 | Low | 61 | Low | 57 Ų | 57 | 108.3 Ų | 108.3 | 35% | 0.345 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.6 | -38.6 | 176.2 | 178.6 | 0 | 0 | 0 | 0 | 110.1 | W79 F85 C86 I125 | W79-V82 PolarHBondContact O-N 3.3Å; W79-V82 VanDerWaalsContact O-N 3.12Å; V82-F85 PolarHBondContact O-N 3.25Å; V82-C86 WeakPolarHBondContact O-CB 3.17Å; V82-C86 PolarHBondContact O-N 3.09Å; V82-I125 HydrophobicContact CG2-CG2 4.2Å |
| 83 | E | 67.3 | Low | 62.7 | Low | 117 Ų | 117 | 109.2 Ų | 109.2 | 55% | 0.547 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 172.6 | -73.6 | 176.8 | 164.5 | 0 | 0 | 111.9 | W79 K80 S81 F85 C86 A87 | W79-E83 PolarHBondContact O-N 3.18Å; K80-E83 WeakPolarHBondContact CD-OE2 3.28Å; K80-E83 VanDerWaalsContact CE-OE2 3.3Å; K80-E83 WeakPolarHBondContact CE-OE2 3.17Å; S81-E83 VanDerWaalsContact C-N 3.34Å; E83-F85 VanDerWaalsContact C-N 3.34Å; E83-F85 PolarHBondContact O-N 3Å; E83-C86 PolarHBondContact O-N 2.91Å; E83-A87 WeakPolarHBondContact O-CB 3.25Å; E83-A87 PolarHBondContact O-N 3.46Å |
| 84 | S | 69.9 | Low | 64.7 | Low | 78 Ų | 78 | 103.9 Ų | 103.9 | 55% | 0.545 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 175.1 | 178.1 | 0 | 0 | 0 | 0 | 111.9 | K80 S81 Q88 | K80-S84 PolarHBondContact O-N 3.3Å; S81-S84 PolarHBondContact O-N 3.42Å; S84-Q88 WeakPolarHBondContact O-CB 3.36Å; S84-Q88 PolarHBondContact O-N 3.29Å |
| 85 | F | 71.8 | Confident | 65.8 | Low | 52 Ų | 52 | 104.5 Ų | 104.5 | 23% | 0.228 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -68.7 | -37.2 | -179.9 | -173.3 | -121.5 | 0 | 0 | 0 | 112 | S81 V82 E83 S89 F118 L121 I125 | S81-F85 WeakPolarHBondContact O-CB 3.18Å; S81-F85 PolarHBondContact O-N 3.48Å; V82-F85 PolarHBondContact O-N 3.25Å; E83-F85 VanDerWaalsContact C-N 3.34Å; E83-F85 PolarHBondContact O-N 3Å; F85-S89 WeakPolarHBondContact O-CB 3.45Å; F85-S89 PolarHBondContact O-N 3.35Å; F85-S89 PolarHBondContact O-OG 3.37Å; F85-F118 HydrophobicContact CE1-CD2 4.37Å; F85-F118 AromaticContact CE1-CE2 3.93Å; F85-F118 HydrophobicContact CE1-CE2 3.93Å; F85-F118 HydrophobicContact CZ-CD2 4.01Å; F85-F118 AromaticContact CZ-CE2 3.99Å; F85-F118 HydrophobicContact CZ-CE2 3.99Å; F85-L121 HydrophobicContact CD2-CD2 3.58Å; F85-L121 HydrophobicContact CE1-CB 4.41Å; F85-L121 HydrophobicContact CE2-CB 4.1Å; F85-L121 HydrophobicContact CE2-CD2 3.01Å; F85-L121 HydrophobicContact CE2-CG 4.14Å; F85-L121 HydrophobicContact CZ-CB 3.83Å; F85-L121 HydrophobicContact CZ-CD2 3.63Å; F85-L121 HydrophobicContact CZ-CG 4.37Å; F85-I125 HydrophobicContact CD1-CD1 4.06Å; F85-I125 HydrophobicContact CG-CD1 4.48Å |
| 86 | C | 69.3 | Low | 66.6 | Low | 78 Ų | 78 | 101.8 Ų | 101.8 | 53% | 0.527 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.3 | -45.8 | 176.9 | -160.7 | 0 | 0 | 0 | 0 | 111.5 | V82 E83 S89 F90 | V82-C86 WeakPolarHBondContact O-CB 3.17Å; V82-C86 PolarHBondContact O-N 3.09Å; E83-C86 PolarHBondContact O-N 2.91Å; C86-S89 PolarHBondContact O-N 2.73Å; C86-F90 WeakPolarHBondContact O-CB 3.26Å; C86-F90 PolarHBondContact O-N 2.88Å |
| 87 | A | 70.3 | Confident | 67.8 | Low | 58 Ų | 58 | 103.7 Ų | 103.7 | 48% | 0.479 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.5 | -44.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E83 S89 F90 K91 | E83-A87 WeakPolarHBondContact O-CB 3.25Å; E83-A87 PolarHBondContact O-N 3.46Å; A87-S89 VanDerWaalsContact C-N 3.35Å; A87-F90 PolarHBondContact O-N 3.32Å; A87-K91 WeakPolarHBondContact O-CG 3.24Å; A87-K91 PolarHBondContact O-N 2.75Å |
| 88 | Q | 70.8 | Confident | 68.4 | Low | 116 Ų | 116 | 104.5 Ų | 104.5 | 54% | 0.542 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 175.8 | -171.6 | 60.4 | 30.5 | 0 | 0 | 110.5 | S84 F90 F92 | S84-Q88 WeakPolarHBondContact O-CB 3.36Å; S84-Q88 PolarHBondContact O-N 3.29Å; Q88-F90 VanDerWaalsContact C-N 3.31Å; Q88-F90 PolarHBondContact O-N 3.04Å; Q88-F92 WeakPolarHBondContact O-CA 3.22Å; Q88-F92 WeakPolarHBondContact O-CB 3.37Å; Q88-F92 PolarHBondContact O-N 2.91Å |
| 89 | S | 71.8 | Confident | 68.8 | Low | 18 Ų | 18 | 96.6 Ų | 96.6 | 13% | 0.126 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -62.4 | -36.8 | 175.6 | -64.3 | 0 | 0 | 0 | 0 | 112.4 | F85 C86 A87 R93 | F85-S89 WeakPolarHBondContact O-CB 3.45Å; F85-S89 PolarHBondContact O-N 3.35Å; F85-S89 PolarHBondContact O-OG 3.37Å; C86-S89 PolarHBondContact O-N 2.73Å; A87-S89 VanDerWaalsContact C-N 3.35Å; S89-R93 VanDerWaalsContact O-CB 3.25Å; S89-R93 WeakPolarHBondContact O-CB 3.08Å; S89-R93 WeakPolarHBondContact O-CG 3.42Å; S89-R93 PolarHBondContact O-N 3.43Å; S89-R93 PolarHBondContact O-NE 2.93Å |
| 90 | F | 71.3 | Confident | 69.6 | Low | 150 Ų | 150 | 90.3 Ų | 90.3 | 66% | 0.658 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -69.9 | -47.2 | 179.2 | -168.7 | -97.2 | 0 | 0 | 0 | 112.4 | C86 A87 Q88 R93 A94 | C86-F90 WeakPolarHBondContact O-CB 3.26Å; C86-F90 PolarHBondContact O-N 2.88Å; A87-F90 PolarHBondContact O-N 3.32Å; Q88-F90 VanDerWaalsContact C-N 3.31Å; Q88-F90 PolarHBondContact O-N 3.04Å; F90-R93 PolarHBondContact O-N 3.34Å; F90-A94 PolarHBondContact O-N 3.49Å |
| 91 | K | 72.5 | Confident | 70.2 | Confident | 156 Ų | 156 | 89.2 Ų | 89.2 | 68% | 0.678 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.4 | -45.2 | 174.3 | -65.2 | -115.7 | -168.7 | 176.5 | 0 | 111.3 | A87 R93 A94 T95 | A87-K91 WeakPolarHBondContact O-CG 3.24Å; A87-K91 PolarHBondContact O-N 2.75Å; K91-R93 PolarHBondContact O-N 2.8Å; K91-A94 PolarHBondContact O-N 3.23Å; K91-T95 PolarHBondContact O-N 2.94Å; K91-T95 PolarHBondContact O-OG1 2.86Å |
| 92 | F | 76.7 | Confident | 70.2 | Confident | 78 Ų | 78 | 91.7 Ų | 91.7 | 34% | 0.342 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.4 | -37.2 | -178.7 | -171.8 | -95.3 | 0 | 0 | 0 | 111.9 | Q88 A94 T95 L96 F114 | Q88-F92 WeakPolarHBondContact O-CA 3.22Å; Q88-F92 WeakPolarHBondContact O-CB 3.37Å; Q88-F92 PolarHBondContact O-N 2.91Å; F92-A94 PolarHBondContact O-N 3.42Å; F92-T95 PolarHBondContact O-N 2.98Å; F92-L96 HydrophobicContact CD1-CD1 3.96Å; F92-L96 HydrophobicContact CD1-CD2 4.45Å; F92-L96 HydrophobicContact CD1-CG 3.66Å; F92-L96 HydrophobicContact CE1-CD1 3.16Å; F92-L96 HydrophobicContact CE1-CD2 3.84Å; F92-L96 HydrophobicContact CE1-CG 3.24Å; F92-L96 HydrophobicContact CE2-CD2 4.04Å; F92-L96 HydrophobicContact CE2-CG 4.28Å; F92-L96 HydrophobicContact CG-CG 4.31Å; F92-L96 HydrophobicContact CZ-CD1 3.66Å; F92-L96 HydrophobicContact CZ-CD2 3.63Å; F92-L96 HydrophobicContact CZ-CG 3.62Å; F92-L96 WeakPolarHBondContact O-CA 3.08Å; F92-L96 WeakPolarHBondContact O-CB 3.2Å; F92-L96 VanDerWaalsContact O-CG 3.27Å; F92-L96 WeakPolarHBondContact O-CG 2.94Å; F92-L96 PolarHBondContact O-N 3.34Å; F92-F114 AromaticContact CD1-CE2 3.92Å; F92-F114 HydrophobicContact CD1-CE2 3.92Å; F92-F114 AromaticContact CD1-CZ 3.78Å; F92-F114 HydrophobicContact CD1-CZ 3.78Å; F92-F114 HydrophobicContact CE1-CD2 4.17Å; F92-F114 AromaticContact CE1-CE2 3.16Å; F92-F114 HydrophobicContact CE1-CE2 3.16Å; F92-F114 AromaticContact CE1-CZ 3.5Å; F92-F114 HydrophobicContact CE1-CZ 3.5Å; F92-F114 VanDerWaalsContact CE1-CZ 3.5Å; F92-F114 HydrophobicContact CZ-CE2 4Å |
| 93 | R | 69.5 | Low | 70.1 | Confident | 124 Ų | 124 | 92 Ų | 92 | 47% | 0.468 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.7 | -39.3 | 172.4 | -81.9 | -178.8 | -66.1 | -118.5 | 1.3 | 112.6 | S89 F90 K91 L96 Y97 | S89-R93 VanDerWaalsContact O-CB 3.25Å; S89-R93 WeakPolarHBondContact O-CB 3.08Å; S89-R93 WeakPolarHBondContact O-CG 3.42Å; S89-R93 PolarHBondContact O-N 3.43Å; S89-R93 PolarHBondContact O-NE 2.93Å; F90-R93 PolarHBondContact O-N 3.34Å; K91-R93 PolarHBondContact O-N 2.8Å; R93-L96 CarbonylContact O-C 3.59Å; R93-L96 PolarHBondContact O-N 3.28Å; R93-Y97 PolarHBondContact O-N 3.27Å |
| 94 | A | 75.4 | Confident | 69.8 | Low | 63 Ų | 63 | 94.7 Ų | 94.7 | 52% | 0.521 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67 | -47.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | F90 K91 F92 L96 Y97 | F90-A94 PolarHBondContact O-N 3.49Å; K91-A94 PolarHBondContact O-N 3.23Å; F92-A94 PolarHBondContact O-N 3.42Å; A94-L96 VanDerWaalsContact C-N 3.26Å; A94-L96 PolarHBondContact O-N 3.21Å; A94-Y97 WeakPolarHBondContact O-CB 3.31Å; A94-Y97 PolarHBondContact O-N 3.07Å |
| 95 | T | 71.5 | Confident | 69.4 | Low | 101 Ų | 101 | 95.5 Ų | 95.5 | 62% | 0.62 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65 | -31.8 | 174.3 | -53.2 | 0 | 0 | 0 | 0 | 111.8 | K91 F92 P99 | K91-T95 PolarHBondContact O-N 2.94Å; K91-T95 PolarHBondContact O-OG1 2.86Å; F92-T95 PolarHBondContact O-N 2.98Å; T95-P99 WeakPolarHBondContact O-CD 3.33Å; T95-P99 WeakPolarHBondContact O-CG 3.47Å |
| 96 | L | 68.7 | Low | 68.9 | Low | 43 Ų | 43 | 102.7 Ų | 102.7 | 23% | 0.225 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -79.1 | -17.9 | 174.9 | -78.2 | -139.2 | 0 | 0 | 0 | 113.7 | F92 R93 A94 L98 P99 V100 F114 | F92-L96 HydrophobicContact CD1-CD1 3.96Å; F92-L96 HydrophobicContact CD1-CD2 4.45Å; F92-L96 HydrophobicContact CD1-CG 3.66Å; F92-L96 HydrophobicContact CE1-CD1 3.16Å; F92-L96 HydrophobicContact CE1-CD2 3.84Å; F92-L96 HydrophobicContact CE1-CG 3.24Å; F92-L96 HydrophobicContact CE2-CD2 4.04Å; F92-L96 HydrophobicContact CE2-CG 4.28Å; F92-L96 HydrophobicContact CG-CG 4.31Å; F92-L96 HydrophobicContact CZ-CD1 3.66Å; F92-L96 HydrophobicContact CZ-CD2 3.63Å; F92-L96 HydrophobicContact CZ-CG 3.62Å; F92-L96 WeakPolarHBondContact O-CA 3.08Å; F92-L96 WeakPolarHBondContact O-CB 3.2Å; F92-L96 VanDerWaalsContact O-CG 3.27Å; F92-L96 WeakPolarHBondContact O-CG 2.94Å; F92-L96 PolarHBondContact O-N 3.34Å; R93-L96 CarbonylContact O-C 3.59Å; R93-L96 PolarHBondContact O-N 3.28Å; A94-L96 VanDerWaalsContact C-N 3.26Å; A94-L96 PolarHBondContact O-N 3.21Å; L96-L98 VanDerWaalsContact C-N 3.25Å; L96-L98 PolarHBondContact O-N 3.25Å; L96-P99 VanDerWaalsContact C-CD 3.44Å; L96-P99 HydrophobicContact CB-CG 4.47Å; L96-P99 HydrophobicContact CD2-CG 3.9Å; L96-P99 VanDerWaalsContact O-CD 3.24Å; L96-P99 WeakPolarHBondContact O-CD 3.49Å; L96-P99 WeakPolarHBondContact O-CG 3.18Å; L96-V100 HydrophobicContact CB-CG2 4.29Å; L96-V100 WeakPolarHBondContact O-CA 3.43Å; L96-V100 WeakPolarHBondContact O-CB 3.34Å; L96-V100 WeakPolarHBondContact O-CG2 3.3Å; L96-V100 PolarHBondContact O-N 3.29Å; L96-F114 HydrophobicContact CD1-CD2 4.29Å; L96-F114 HydrophobicContact CD1-CE2 4.14Å; L96-F114 HydrophobicContact CD1-CZ 4.47Å |
| 97 | Y | 73.6 | Confident | 68.5 | Low | 163 Ų | 163 | 103.2 Ų | 103.2 | 64% | 0.639 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.2 | -39.7 | 176 | -130 | -98.6 | 0 | 0 | 0 | 110.5 | R93 A94 V100 L101 | R93-Y97 PolarHBondContact O-N 3.27Å; A94-Y97 WeakPolarHBondContact O-CB 3.31Å; A94-Y97 PolarHBondContact O-N 3.07Å; Y97-V100 PolarHBondContact O-N 3.3Å; Y97-L101 HydrophobicContact CD1-CD1 3.39Å; Y97-L101 HydrophobicContact CE1-CD1 3.65Å; Y97-L101 HydrophobicContact CG-CD1 4.25Å; Y97-L101 WeakPolarHBondContact O-CB 2.93Å; Y97-L101 WeakPolarHBondContact O-CD1 3.1Å; Y97-L101 PolarHBondContact O-N 2.9Å |
| 98 | L | 72.6 | Confident | 68.3 | Low | 130 Ų | 130 | 107.3 Ų | 107.3 | 68% | 0.681 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.1 | -57.9 | 175.7 | -122.5 | 80.2 | 0 | 0 | 0 | 113.4 | L96 L101 L102 | L96-L98 VanDerWaalsContact C-N 3.25Å; L96-L98 PolarHBondContact O-N 3.25Å; L98-L101 PolarHBondContact O-N 3.29Å; L98-L102 WeakPolarHBondContact O-CG 3.28Å; L98-L102 PolarHBondContact O-N 3.15Å; L98-L102 VanDerWaalsContact O-N 3.08Å |
| 99 | P | 63.9 | Low | 68.2 | Low | 42 Ų | 42 | 102.3 Ų | 102.3 | 27% | 0.273 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.2 | -30.4 | 174.6 | 31.3 | -35.9 | 0 | 0 | 0 | 111.1 | T95 L96 L101 L102 L103 | T95-P99 WeakPolarHBondContact O-CD 3.33Å; T95-P99 WeakPolarHBondContact O-CG 3.47Å; L96-P99 VanDerWaalsContact C-CD 3.44Å; L96-P99 HydrophobicContact CB-CG 4.47Å; L96-P99 HydrophobicContact CD2-CG 3.9Å; L96-P99 VanDerWaalsContact O-CD 3.24Å; L96-P99 WeakPolarHBondContact O-CD 3.49Å; L96-P99 WeakPolarHBondContact O-CG 3.18Å; P99-L101 PolarHBondContact O-N 2.83Å; P99-L102 CarbonylContact O-C 3.52Å; P99-L102 PolarHBondContact O-N 3.35Å; P99-L103 HydrophobicContact CB-CD1 3.86Å; P99-L103 HydrophobicContact CB-CG 4.35Å; P99-L103 VanDerWaalsContact O-CA 3.31Å; P99-L103 WeakPolarHBondContact O-CA 3.44Å; P99-L103 WeakPolarHBondContact O-CB 3.31Å; P99-L103 WeakPolarHBondContact O-CD1 3.25Å; P99-L103 WeakPolarHBondContact O-CG 3.43Å; P99-L103 PolarHBondContact O-N 2.93Å |
| 100 | V | 69.6 | Low | 68.2 | Low | 61 Ų | 61 | 103.3 Ų | 103.3 | 37% | 0.37 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 175.7 | 164.2 | 0 | 0 | 0 | 0 | 110.3 | L96 Y97 L103 K104 | L96-V100 HydrophobicContact CB-CG2 4.29Å; L96-V100 WeakPolarHBondContact O-CA 3.43Å; L96-V100 WeakPolarHBondContact O-CB 3.34Å; L96-V100 WeakPolarHBondContact O-CG2 3.3Å; L96-V100 PolarHBondContact O-N 3.29Å; Y97-V100 PolarHBondContact O-N 3.3Å; V100-L103 PolarHBondContact O-N 2.99Å; V100-K104 WeakPolarHBondContact O-CB 3.43Å; V100-K104 PolarHBondContact O-N 3.1Å |
| 101 | L | 68.4 | Low | 68.3 | Low | 111 Ų | 111 | 100.7 Ų | 100.7 | 58% | 0.581 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.9 | -44.9 | 172.1 | -93.4 | 74.7 | 0 | 0 | 0 | 111.3 | Y97 L98 P99 L103 | Y97-L101 HydrophobicContact CD1-CD1 3.39Å; Y97-L101 HydrophobicContact CE1-CD1 3.65Å; Y97-L101 HydrophobicContact CG-CD1 4.25Å; Y97-L101 WeakPolarHBondContact O-CB 2.93Å; Y97-L101 WeakPolarHBondContact O-CD1 3.1Å; Y97-L101 PolarHBondContact O-N 2.9Å; L98-L101 PolarHBondContact O-N 3.29Å; P99-L101 PolarHBondContact O-N 2.83Å; L101-L103 VanDerWaalsContact C-N 3.35Å; L101-L103 PolarHBondContact O-N 3.36Å |
| 102 | L | 63.9 | Low | 68.3 | Low | 130 Ų | 130 | 96.5 Ų | 96.5 | 68% | 0.681 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.6 | -29.8 | 177 | -74.6 | 166 | 0 | 0 | 0 | 113.7 | L98 P99 | L98-L102 WeakPolarHBondContact O-CG 3.28Å; L98-L102 PolarHBondContact O-N 3.15Å; L98-L102 VanDerWaalsContact O-N 3.08Å; P99-L102 CarbonylContact O-C 3.52Å; P99-L102 PolarHBondContact O-N 3.35Å |
| 103 | L | 63.4 | Low | 68.5 | Low | 63 Ų | 63 | 95.3 Ų | 95.3 | 33% | 0.33 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -91.3 | -25.8 | -176.9 | -67.8 | 166.4 | 0 | 0 | 0 | 111.2 | P99 V100 L101 A105 R106 K107 A110 | P99-L103 HydrophobicContact CB-CD1 3.86Å; P99-L103 HydrophobicContact CB-CG 4.35Å; P99-L103 VanDerWaalsContact O-CA 3.31Å; P99-L103 WeakPolarHBondContact O-CA 3.44Å; P99-L103 WeakPolarHBondContact O-CB 3.31Å; P99-L103 WeakPolarHBondContact O-CD1 3.25Å; P99-L103 WeakPolarHBondContact O-CG 3.43Å; P99-L103 PolarHBondContact O-N 2.93Å; V100-L103 PolarHBondContact O-N 2.99Å; L101-L103 VanDerWaalsContact C-N 3.35Å; L101-L103 PolarHBondContact O-N 3.36Å; L103-A105 PolarHBondContact O-N 3.17Å; L103-R106 CarbonylContact O-C 3.51Å; L103-R106 PolarHBondContact O-N 2.86Å; L103-K107 PolarHBondContact O-N 3.47Å; L103-A110 HydrophobicContact CD1-CB 4.17Å |
| 104 | K | 60.6 | Low | 68.8 | Low | 173 Ų | 173 | 93.2 Ų | 93.2 | 75% | 0.752 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -58.6 | -34.2 | 171.2 | -171.2 | 79.1 | 165.3 | 175 | 0 | 110.6 | V100 R106 | V100-K104 WeakPolarHBondContact O-CB 3.43Å; V100-K104 PolarHBondContact O-N 3.1Å; K104-R106 VanDerWaalsContact C-N 3.27Å; K104-R106 PolarHBondContact O-N 2.72Å |
| 105 | A | 61.9 | Low | 69 | Low | 95 Ų | 95 | 93 Ų | 93 | 79% | 0.785 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -9.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114 | L103 | L103-A105 PolarHBondContact O-N 3.17Š|
| 106 | R | 60.5 | Low | 69.4 | Low | 203 Ų | 203 | 89.4 Ų | 89.4 | 77% | 0.766 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.8 | -39.7 | -171.1 | -149.9 | 168.3 | -163.5 | 153.6 | 4.9 | 116.7 | L103 K104 | L103-R106 CarbonylContact O-C 3.51Å; L103-R106 PolarHBondContact O-N 2.86Å; K104-R106 VanDerWaalsContact C-N 3.27Å; K104-R106 PolarHBondContact O-N 2.72Å |
| 107 | K | 61.1 | Low | 70 | Confident | 90 Ų | 90 | 91.3 Ų | 91.3 | 39% | 0.391 | 47% | 0.465 | S | S | . | . | trans | -154.7 | 110.2 | -167.6 | -62.7 | -177.1 | 169.8 | 179.1 | 0 | 113.7 | L103 G109 V160 | L103-K107 PolarHBondContact O-N 3.47Å; K107-G109 PolarHBondContact O-N 3.29Å; K107-G109 VanDerWaalsContact O-N 3.12Å; K107-V160 HydrophobicContact CB-CG1 4.48Å; K107-V160 HydrophobicContact CB-CG2 4.27Å; K107-V160 HydrophobicContact CD-CG1 3.54Å; K107-V160 HydrophobicContact CG-CG1 3.75Å; K107-V160 HydrophobicContact CG-CG2 4.39Å | ||
| 108 | F | 67.3 | Low | 70.2 | Confident | 144 Ų | 144 | 88.8 Ų | 88.8 | 63% | 0.632 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -20.1 | 166.2 | -179.6 | -110.4 | 0 | 0 | 0 | 113 | A110 L111 L156 | F108-A110 VanDerWaalsContact C-N 3.34Å; F108-A110 PolarHBondContact O-N 3.4Å; F108-L111 HydrophobicContact CD2-CD1 4.35Å; F108-L111 PolarHBondContact O-N 3.39Å; F108-L156 HydrophobicContact CD1-CD1 4Å; F108-L156 HydrophobicContact CE1-CD1 4.4Å |
| 109 | G | 68.6 | Low | 70.6 | Confident | 11 Ų | 11 | 88.3 Ų | 88.3 | 11% | 0.113 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -46.9 | -47.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | K107 L111 Y112 T113 L156 | K107-G109 PolarHBondContact O-N 3.29Å; K107-G109 VanDerWaalsContact O-N 3.12Å; G109-L111 VanDerWaalsContact C-N 3.3Å; G109-L111 PolarHBondContact O-N 3.38Å; G109-Y112 PolarHBondContact O-N 3.08Å; G109-T113 PolarHBondContact O-N 3.12Å; G109-L156 WeakPolarHBondContact O-CD2 3.42Å |
| 110 | A | 70.8 | Confident | 71.3 | Confident | 38 Ų | 38 | 89.5 Ų | 89.5 | 31% | 0.314 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.8 | -39.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L103 F108 Y112 T113 F114 | L103-A110 HydrophobicContact CD1-CB 4.17Å; F108-A110 VanDerWaalsContact C-N 3.34Å; F108-A110 PolarHBondContact O-N 3.4Å; A110-Y112 VanDerWaalsContact C-N 3.3Å; A110-Y112 PolarHBondContact O-N 3.29Å; A110-T113 PolarHBondContact O-N 3.49Å; A110-T113 PolarHBondContact O-OG1 2.8Å; A110-F114 VanDerWaalsContact O-CB 3.28Å; A110-F114 WeakPolarHBondContact O-CB 3.4Å; A110-F114 PolarHBondContact O-N 2.83Å |
| 111 | L | 73.3 | Confident | 71.5 | Confident | 95 Ų | 95 | 89.5 Ų | 89.5 | 50% | 0.497 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.1 | -38 | -179.2 | -73.5 | 152.4 | 0 | 0 | 0 | 111.9 | F108 G109 F114 S115 | F108-L111 HydrophobicContact CD2-CD1 4.35Å; F108-L111 PolarHBondContact O-N 3.39Å; G109-L111 VanDerWaalsContact C-N 3.3Å; G109-L111 PolarHBondContact O-N 3.38Å; L111-F114 PolarHBondContact O-N 3.31Å; L111-S115 PolarHBondContact O-N 2.86Å |
| 112 | Y | 74.2 | Confident | 72.1 | Confident | 68 Ų | 68 | 87.2 Ų | 87.2 | 27% | 0.267 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.2 | -47.8 | 179.9 | -174.9 | -85.2 | 0 | 0 | 0 | 111.5 | G109 A110 F114 S115 S116 L152 L156 | G109-Y112 PolarHBondContact O-N 3.08Å; A110-Y112 VanDerWaalsContact C-N 3.3Å; A110-Y112 PolarHBondContact O-N 3.29Å; Y112-F114 VanDerWaalsContact C-N 3.27Å; Y112-F114 PolarHBondContact O-N 2.95Å; Y112-S115 WeakPolarHBondContact O-CB 3.39Å; Y112-S115 PolarHBondContact O-N 3.13Å; Y112-S116 PolarHBondContact O-N 3.28Å; Y112-L152 HydrophobicContact CE1-CB 3.56Å; Y112-L152 HydrophobicContact CE1-CG 4.38Å; Y112-L152 HydrophobicContact CE2-CD2 4.25Å; Y112-L152 WeakPolarHBondContact OH-CB 3.38Å; Y112-L152 WeakPolarHBondContact OH-CD1 3.44Å; Y112-L152 WeakPolarHBondContact OH-CD2 3.33Å; Y112-L152 WeakPolarHBondContact OH-CG 3.38Å; Y112-L156 VanDerWaalsContact CB-CD1 3.48Å; Y112-L156 HydrophobicContact CD1-CD1 4.43Å; Y112-L156 HydrophobicContact CD1-CD2 3.74Å; Y112-L156 HydrophobicContact CD1-CG 4.49Å; Y112-L156 HydrophobicContact CD2-CD1 4.49Å; Y112-L156 HydrophobicContact CG-CD1 3.85Å; Y112-L156 HydrophobicContact CG-CD2 3.94Å; Y112-L156 HydrophobicContact CG-CG 4.38Å |
| 113 | T | 79 | Confident | 72.6 | Confident | 53 Ų | 53 | 85.3 Ų | 85.3 | 33% | 0.325 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.9 | -35.8 | 174.9 | 50.7 | 0 | 0 | 0 | 0 | 112 | G109 A110 S115 S116 I117 L156 | G109-T113 PolarHBondContact O-N 3.12Å; A110-T113 PolarHBondContact O-N 3.49Å; A110-T113 PolarHBondContact O-OG1 2.8Å; T113-S115 VanDerWaalsContact C-N 3.34Å; T113-S115 PolarHBondContact O-N 2.85Å; T113-S116 PolarHBondContact O-N 3.26Å; T113-I117 WeakPolarHBondContact O-CG1 3.31Å; T113-I117 PolarHBondContact O-N 3.21Å; T113-L156 HydrophobicContact CG2-CD2 4.33Å |
| 114 | F | 77.4 | Confident | 73 | Confident | 80 Ų | 80 | 83.4 Ų | 83.4 | 35% | 0.351 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68.7 | -35 | -179.4 | -153.9 | -106.8 | 0 | 0 | 0 | 112.6 | F92 L96 A110 L111 Y112 F118 | F92-F114 AromaticContact CD1-CE2 3.92Å; F92-F114 HydrophobicContact CD1-CE2 3.92Å; F92-F114 AromaticContact CD1-CZ 3.78Å; F92-F114 HydrophobicContact CD1-CZ 3.78Å; F92-F114 HydrophobicContact CE1-CD2 4.17Å; F92-F114 AromaticContact CE1-CE2 3.16Å; F92-F114 HydrophobicContact CE1-CE2 3.16Å; F92-F114 AromaticContact CE1-CZ 3.5Å; F92-F114 HydrophobicContact CE1-CZ 3.5Å; F92-F114 VanDerWaalsContact CE1-CZ 3.5Å; F92-F114 HydrophobicContact CZ-CE2 4Å; L96-F114 HydrophobicContact CD1-CD2 4.29Å; L96-F114 HydrophobicContact CD1-CE2 4.14Å; L96-F114 HydrophobicContact CD1-CZ 4.47Å; A110-F114 VanDerWaalsContact O-CB 3.28Å; A110-F114 WeakPolarHBondContact O-CB 3.4Å; A110-F114 PolarHBondContact O-N 2.83Å; L111-F114 PolarHBondContact O-N 3.31Å; Y112-F114 VanDerWaalsContact C-N 3.27Å; Y112-F114 PolarHBondContact O-N 2.95Å; F114-F118 PolarHBondContact O-N 3.37Å |
| 115 | S | 78.7 | Confident | 73.5 | Confident | 60 Ų | 60 | 79.2 Ų | 79.2 | 42% | 0.42 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.1 | -47.5 | 173.1 | -176.1 | 0 | 0 | 0 | 0 | 111.2 | L111 Y112 T113 I117 F118 F119 | L111-S115 PolarHBondContact O-N 2.86Å; Y112-S115 WeakPolarHBondContact O-CB 3.39Å; Y112-S115 PolarHBondContact O-N 3.13Å; T113-S115 VanDerWaalsContact C-N 3.34Å; T113-S115 PolarHBondContact O-N 2.85Å; S115-I117 PolarHBondContact O-N 2.94Å; S115-F118 PolarHBondContact O-N 2.83Å; S115-F119 WeakPolarHBondContact O-CD2 3.49Å; S115-F119 PolarHBondContact O-N 3.33Å; S115-F119 VanDerWaalsContact O-N 3.09Å |
| 116 | S | 80.9 | Confident | 73.9 | Confident | 25 Ų | 25 | 81.2 Ų | 81.2 | 18% | 0.175 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -67.3 | -40.8 | -176.2 | -158.7 | 0 | 0 | 0 | 0 | 113.2 | Y112 T113 F118 F119 L120 F149 | Y112-S116 PolarHBondContact O-N 3.28Å; T113-S116 PolarHBondContact O-N 3.26Å; S116-F118 VanDerWaalsContact C-N 3.33Å; S116-F118 PolarHBondContact O-N 2.9Å; S116-F119 PolarHBondContact O-N 2.93Å; S116-L120 WeakPolarHBondContact O-CG 3.15Å; S116-L120 PolarHBondContact O-N 3.38Å; S116-F149 WeakPolarHBondContact OG-CE2 3.43Å |
| 117 | I | 80.7 | Confident | 74.3 | Confident | 83 Ų | 83 | 74.4 Ų | 74.4 | 43% | 0.426 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60 | -44.9 | 176 | -65.8 | 163.9 | 0 | 0 | 0 | 110.5 | T113 S115 F119 L120 L121 | T113-I117 WeakPolarHBondContact O-CG1 3.31Å; T113-I117 PolarHBondContact O-N 3.21Å; S115-I117 PolarHBondContact O-N 2.94Å; I117-F119 VanDerWaalsContact C-N 3.32Å; I117-F119 PolarHBondContact O-N 3.32Å; I117-L120 PolarHBondContact O-N 3Å; I117-L121 HydrophobicContact CG2-CD1 3.95Å; I117-L121 WeakPolarHBondContact O-CD1 3.38Å; I117-L121 PolarHBondContact O-N 2.9Å |
| 118 | F | 77.8 | Confident | 74.7 | Confident | 109 Ų | 109 | 71.1 Ų | 71.1 | 48% | 0.478 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.8 | -38 | 179.5 | -168.6 | -102.3 | 0 | 0 | 0 | 112.5 | F85 F114 S115 S116 L121 S122 | F85-F118 HydrophobicContact CE1-CD2 4.37Å; F85-F118 AromaticContact CE1-CE2 3.93Å; F85-F118 HydrophobicContact CE1-CE2 3.93Å; F85-F118 HydrophobicContact CZ-CD2 4.01Å; F85-F118 AromaticContact CZ-CE2 3.99Å; F85-F118 HydrophobicContact CZ-CE2 3.99Å; F114-F118 PolarHBondContact O-N 3.37Å; S115-F118 PolarHBondContact O-N 2.83Å; S116-F118 VanDerWaalsContact C-N 3.33Å; S116-F118 PolarHBondContact O-N 2.9Å; F118-L121 PolarHBondContact O-N 2.76Å; F118-S122 WeakPolarHBondContact O-CB 3.46Å; F118-S122 PolarHBondContact O-N 3.33Å |
| 119 | F | 80.8 | Confident | 74.5 | Confident | 120 Ų | 120 | 68.1 Ų | 68.1 | 53% | 0.526 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.3 | -46.8 | 174.2 | -93.6 | -74.7 | 0 | 0 | 0 | 112.6 | S115 S116 I117 L121 S122 F123 | S115-F119 WeakPolarHBondContact O-CD2 3.49Å; S115-F119 PolarHBondContact O-N 3.33Å; S115-F119 VanDerWaalsContact O-N 3.09Å; S116-F119 PolarHBondContact O-N 2.93Å; I117-F119 VanDerWaalsContact C-N 3.32Å; I117-F119 PolarHBondContact O-N 3.32Å; F119-L121 VanDerWaalsContact C-N 3.27Å; F119-L121 PolarHBondContact O-N 3.39Å; F119-S122 PolarHBondContact O-N 3.38Å; F119-F123 AromaticContact CD1-CE2 3.93Å; F119-F123 HydrophobicContact CD1-CE2 3.93Å; F119-F123 VanDerWaalsContact O-CD2 3.26Å; F119-F123 WeakPolarHBondContact O-CD2 3.41Å; F119-F123 PolarHBondContact O-N 2.9Å; F119-F123 VanDerWaalsContact O-N 3.08Å |
| 120 | L | 77.5 | Confident | 74.2 | Confident | 67 Ų | 67 | 73 Ų | 73 | 35% | 0.351 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.7 | -41.5 | 177.2 | -69.4 | 174.7 | 0 | 0 | 0 | 111.1 | S116 I117 S124 | S116-L120 WeakPolarHBondContact O-CG 3.15Å; S116-L120 PolarHBondContact O-N 3.38Å; I117-L120 PolarHBondContact O-N 3Å; L120-S124 WeakPolarHBondContact O-CB 3.17Å; L120-S124 PolarHBondContact O-N 3.48Å |
| 121 | L | 75.5 | Confident | 73.8 | Confident | 62 Ų | 62 | 73.4 Ų | 73.4 | 33% | 0.325 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -70.1 | -37.8 | 179.8 | -88.9 | 72.5 | 0 | 0 | 0 | 112.5 | F85 I117 F118 F119 S124 I125 | F85-L121 HydrophobicContact CD2-CD2 3.58Å; F85-L121 HydrophobicContact CE1-CB 4.41Å; F85-L121 HydrophobicContact CE2-CB 4.1Å; F85-L121 HydrophobicContact CE2-CD2 3.01Å; F85-L121 HydrophobicContact CE2-CG 4.14Å; F85-L121 HydrophobicContact CZ-CB 3.83Å; F85-L121 HydrophobicContact CZ-CD2 3.63Å; F85-L121 HydrophobicContact CZ-CG 4.37Å; I117-L121 HydrophobicContact CG2-CD1 3.95Å; I117-L121 WeakPolarHBondContact O-CD1 3.38Å; I117-L121 PolarHBondContact O-N 2.9Å; F118-L121 PolarHBondContact O-N 2.76Å; F119-L121 VanDerWaalsContact C-N 3.27Å; F119-L121 PolarHBondContact O-N 3.39Å; L121-S124 WeakPolarHBondContact O-CB 3.43Å; L121-S124 PolarHBondContact O-N 2.97Å; L121-I125 WeakPolarHBondContact O-CG1 3.43Å; L121-I125 PolarHBondContact O-N 2.96Å; L121-I125 VanDerWaalsContact O-N 3.13Å |
| 122 | S | 79.3 | Confident | 73.5 | Confident | 62 Ų | 62 | 69.7 Ų | 69.7 | 43% | 0.434 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.2 | -49.2 | 174.6 | -172.1 | 0 | 0 | 0 | 0 | 111.8 | F118 F119 I125 L126 | F118-S122 WeakPolarHBondContact O-CB 3.46Å; F118-S122 PolarHBondContact O-N 3.33Å; F119-S122 PolarHBondContact O-N 3.38Å; S122-I125 PolarHBondContact O-N 2.85Å; S122-L126 PolarHBondContact O-N 3.12Å |
| 123 | F | 74.4 | Confident | 72.9 | Confident | 90 Ų | 90 | 69.2 Ų | 69.2 | 40% | 0.395 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -71.4 | -31.3 | 177.3 | -72.5 | -61.7 | 0 | 0 | 0 | 113.7 | F119 I125 L126 L127 F132 | F119-F123 AromaticContact CD1-CE2 3.93Å; F119-F123 HydrophobicContact CD1-CE2 3.93Å; F119-F123 VanDerWaalsContact O-CD2 3.26Å; F119-F123 WeakPolarHBondContact O-CD2 3.41Å; F119-F123 PolarHBondContact O-N 2.9Å; F119-F123 VanDerWaalsContact O-N 3.08Å; F123-I125 VanDerWaalsContact C-N 3.25Å; F123-I125 PolarHBondContact O-N 3Å; F123-L126 PolarHBondContact O-N 2.81Å; F123-L126 VanDerWaalsContact O-N 3.1Å; F123-L127 HydrophobicContact CD1-CD1 4.48Å; F123-L127 PolarHBondContact O-N 2.76Å; F123-F132 HydrophobicContact CB-CD1 3.81Å; F123-F132 HydrophobicContact CB-CD2 4.29Å; F123-F132 HydrophobicContact CB-CE1 3.27Å; F123-F132 HydrophobicContact CB-CE2 3.8Å; F123-F132 HydrophobicContact CB-CG 4.28Å; F123-F132 HydrophobicContact CB-CZ 3.25Å; F123-F132 HydrophobicContact CD1-CZ 4.38Å; F123-F132 HydrophobicContact CD2-CE1 4.4Å; F123-F132 HydrophobicContact CD2-CZ 4.06Å; F123-F132 HydrophobicContact CG-CE1 4.1Å; F123-F132 HydrophobicContact CG-CE2 4.28Å; F123-F132 AromaticContact CG-CZ 3.68Å; F123-F132 HydrophobicContact CG-CZ 3.68Å |
| 124 | S | 73.7 | Confident | 72.1 | Confident | 23 Ų | 23 | 74.5 Ų | 74.5 | 16% | 0.161 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.7 | -36.2 | 174.3 | 174.5 | 0 | 0 | 0 | 0 | 111.7 | L120 L121 G128 P129 | L120-S124 WeakPolarHBondContact O-CB 3.17Å; L120-S124 PolarHBondContact O-N 3.48Å; L121-S124 WeakPolarHBondContact O-CB 3.43Å; L121-S124 PolarHBondContact O-N 2.97Å; S124-G128 CarbonylContact O-C 3.1Å; S124-G128 WeakPolarHBondContact O-CA 3.19Å; S124-G128 PolarHBondContact O-N 3.47Å; S124-P129 WeakPolarHBondContact O-CA 3.16Å; S124-P129 WeakPolarHBondContact O-CD 3.26Å; S124-P129 VanDerWaalsContact O-N 3.07Å; S124-P129 WeakPolarHBondContact OG-CA 3.47Å; S124-P129 WeakPolarHBondContact OG-CB 3Å |
| 125 | I | 70.5 | Confident | 71.3 | Confident | 85 Ų | 85 | 74.3 Ų | 74.3 | 44% | 0.436 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -74 | -36 | 173.8 | -63.6 | 163.5 | 0 | 0 | 0 | 111.1 | V82 F85 L121 S122 F123 | V82-I125 HydrophobicContact CG2-CG2 4.2Å; F85-I125 HydrophobicContact CD1-CD1 4.06Å; F85-I125 HydrophobicContact CG-CD1 4.48Å; L121-I125 WeakPolarHBondContact O-CG1 3.43Å; L121-I125 PolarHBondContact O-N 2.96Å; L121-I125 VanDerWaalsContact O-N 3.13Å; S122-I125 PolarHBondContact O-N 2.85Å; F123-I125 VanDerWaalsContact C-N 3.25Å; F123-I125 PolarHBondContact O-N 3Å |
| 126 | L | 70.1 | Confident | 70.5 | Confident | 137 Ų | 137 | 74.9 Ų | 74.9 | 72% | 0.717 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -75.6 | -41.3 | -174.7 | -144.6 | 89.9 | 0 | 0 | 0 | 113.7 | S122 F123 | S122-L126 PolarHBondContact O-N 3.12Å; F123-L126 PolarHBondContact O-N 2.81Å; F123-L126 VanDerWaalsContact O-N 3.1Å |
| 127 | L | 69.3 | Low | 69.5 | Low | 61 Ų | 61 | 78.5 Ų | 78.5 | 32% | 0.319 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -101.7 | -7.5 | -178.2 | -81.1 | 84.9 | 0 | 0 | 0 | 114.1 | F62 F123 F132 | F62-L127 HydrophobicContact CD1-CD2 4.21Å; F123-L127 HydrophobicContact CD1-CD1 4.48Å; F123-L127 PolarHBondContact O-N 2.76Å; L127-F132 HydrophobicContact CB-CB 3.91Å; L127-F132 HydrophobicContact CB-CD2 3.64Å; L127-F132 HydrophobicContact CB-CG 4.14Å; L127-F132 HydrophobicContact CD1-CD2 3.98Å; L127-F132 HydrophobicContact CD1-CE2 4.1Å; L127-F132 HydrophobicContact CD2-CD2 3.6Å; L127-F132 HydrophobicContact CD2-CE2 3.98Å; L127-F132 HydrophobicContact CG-CD2 3.91Å; L127-F132 HydrophobicContact CG-CE2 4.43Å |
| 128 | G | 69.2 | Low | 68.5 | Low | 21 Ų | 21 | 77.8 Ų | 77.8 | 22% | 0.216 | 41% | 0.407 | C | S | . | . | trans | 94.3 | 129.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S124 L130 S131 F132 | S124-G128 CarbonylContact O-C 3.1Å; S124-G128 WeakPolarHBondContact O-CA 3.19Å; S124-G128 PolarHBondContact O-N 3.47Å; G128-L130 PolarHBondContact O-N 3.49Å; G128-S131 PolarHBondContact O-N 3.48Å; G128-S131 VanDerWaalsContact O-N 3.13Å; G128-F132 WeakPolarHBondContact O-CB 3.39Å; G128-F132 PolarHBondContact O-N 2.92Å | ||
| 129 | P | 64 | Low | 67.5 | Low | 81 Ų | 81 | 79 Ų | 79 | 53% | 0.526 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.6 | -39.9 | -157.1 | 18.9 | -31.8 | 0 | 0 | 0 | 114.7 | S124 T133 | S124-P129 WeakPolarHBondContact O-CA 3.16Å; S124-P129 WeakPolarHBondContact O-CD 3.26Å; S124-P129 VanDerWaalsContact O-N 3.07Å; S124-P129 WeakPolarHBondContact OG-CA 3.47Å; S124-P129 WeakPolarHBondContact OG-CB 3Å; P129-T133 PolarHBondContact O-OG1 3.38Å |
| 130 | L | 60.9 | Low | 66.9 | Low | 112 Ų | 112 | 82 Ų | 82 | 59% | 0.586 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -88 | -17.8 | -179.4 | -66.2 | 171.5 | 0 | 0 | 0 | 112.9 | G128 R134 | G128-L130 PolarHBondContact O-N 3.49Å; L130-R134 WeakPolarHBondContact O-CB 3.37Å; L130-R134 WeakPolarHBondContact O-CG 3.44Å; L130-R134 PolarHBondContact O-N 2.91Å; L130-R134 PolarHBondContact O-NH1 3.2Å |
| 131 | S | 63.1 | Low | 66.4 | Low | 47 Ų | 47 | 88 Ų | 88 | 33% | 0.329 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -83.8 | -43.1 | 178.5 | -48.1 | 0 | 0 | 0 | 0 | 109.9 | G128 R134 L135 | G128-S131 PolarHBondContact O-N 3.48Å; G128-S131 VanDerWaalsContact O-N 3.13Å; S131-R134 PolarHBondContact O-N 3.1Å; S131-L135 VanDerWaalsContact O-CB 3.24Å; S131-L135 WeakPolarHBondContact O-CB 3.46Å; S131-L135 PolarHBondContact O-N 3.25Å |
| 132 | F | 65.6 | Low | 66.4 | Low | 17 Ų | 17 | 87.2 Ų | 87.2 | 8% | 0.075 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -66.1 | -48.1 | 179.3 | -172.1 | -108.1 | 0 | 0 | 0 | 112.6 | F123 L127 G128 R134 L135 L136 | F123-F132 HydrophobicContact CB-CD1 3.81Å; F123-F132 HydrophobicContact CB-CD2 4.29Å; F123-F132 HydrophobicContact CB-CE1 3.27Å; F123-F132 HydrophobicContact CB-CE2 3.8Å; F123-F132 HydrophobicContact CB-CG 4.28Å; F123-F132 HydrophobicContact CB-CZ 3.25Å; F123-F132 HydrophobicContact CD1-CZ 4.38Å; F123-F132 HydrophobicContact CD2-CE1 4.4Å; F123-F132 HydrophobicContact CD2-CZ 4.06Å; F123-F132 HydrophobicContact CG-CE1 4.1Å; F123-F132 HydrophobicContact CG-CE2 4.28Å; F123-F132 AromaticContact CG-CZ 3.68Å; F123-F132 HydrophobicContact CG-CZ 3.68Å; L127-F132 HydrophobicContact CB-CB 3.91Å; L127-F132 HydrophobicContact CB-CD2 3.64Å; L127-F132 HydrophobicContact CB-CG 4.14Å; L127-F132 HydrophobicContact CD1-CD2 3.98Å; L127-F132 HydrophobicContact CD1-CE2 4.1Å; L127-F132 HydrophobicContact CD2-CD2 3.6Å; L127-F132 HydrophobicContact CD2-CE2 3.98Å; L127-F132 HydrophobicContact CG-CD2 3.91Å; L127-F132 HydrophobicContact CG-CE2 4.43Å; G128-F132 WeakPolarHBondContact O-CB 3.39Å; G128-F132 PolarHBondContact O-N 2.92Å; F132-R134 PolarHBondContact O-N 3.38Å; F132-L135 PolarHBondContact O-N 3.36Å; F132-L135 VanDerWaalsContact O-N 3.12Å; F132-L136 HydrophobicContact CD1-CD1 4.2Å; F132-L136 HydrophobicContact CD1-CG 4.46Å; F132-L136 HydrophobicContact CE1-CD1 3.35Å; F132-L136 HydrophobicContact CE1-CG 3.97Å; F132-L136 HydrophobicContact CE2-CD1 4.21Å; F132-L136 HydrophobicContact CE2-CD2 4.45Å; F132-L136 HydrophobicContact CE2-CG 4.15Å; F132-L136 HydrophobicContact CZ-CD1 3.37Å; F132-L136 HydrophobicContact CZ-CD2 4.32Å; F132-L136 HydrophobicContact CZ-CG 3.81Å; F132-L136 PolarHBondContact O-N 3.34Å |
| 133 | T | 62.5 | Low | 66.5 | Low | 58 Ų | 58 | 88.5 Ų | 88.5 | 36% | 0.356 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 176.1 | 39.6 | 0 | 0 | 0 | 0 | 110.9 | P129 L135 L136 F137 | P129-T133 PolarHBondContact O-OG1 3.38Å; T133-L135 VanDerWaalsContact C-N 3.29Å; T133-L135 PolarHBondContact O-N 2.9Å; T133-L136 PolarHBondContact O-N 3.13Å; T133-F137 WeakPolarHBondContact O-CA 3.42Å; T133-F137 WeakPolarHBondContact O-CB 3.46Å; T133-F137 WeakPolarHBondContact O-CD2 3.38Å; T133-F137 PolarHBondContact O-N 2.93Å |
| 134 | R | 62.3 | Low | 66.6 | Low | 165 Ų | 165 | 92.9 Ų | 92.9 | 62% | 0.623 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -66.2 | -27.7 | 173.8 | -78.2 | -169.1 | -160.9 | 95.8 | -2.7 | 114.2 | L130 S131 F132 F137 S138 | L130-R134 WeakPolarHBondContact O-CB 3.37Å; L130-R134 WeakPolarHBondContact O-CG 3.44Å; L130-R134 PolarHBondContact O-N 2.91Å; L130-R134 PolarHBondContact O-NH1 3.2Å; S131-R134 PolarHBondContact O-N 3.1Å; F132-R134 PolarHBondContact O-N 3.38Å; R134-F137 CarbonylContact O-C 3.44Å; R134-S138 WeakPolarHBondContact O-CA 3.31Å; R134-S138 WeakPolarHBondContact O-CB 3.4Å; R134-S138 PolarHBondContact O-N 2.65Å |
| 135 | L | 59.7 | Low | 66.9 | Low | 76 Ų | 76 | 94 Ų | 94 | 40% | 0.398 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -75.1 | -42.7 | 178.3 | -166.5 | 69.9 | 0 | 0 | 0 | 111.3 | F62 S131 F132 T133 | F62-L135 HydrophobicContact CD2-CD1 4.16Å; F62-L135 HydrophobicContact CD2-CD2 3.5Å; F62-L135 HydrophobicContact CD2-CG 4.45Å; F62-L135 HydrophobicContact CE1-CD2 4.24Å; F62-L135 HydrophobicContact CE2-CD1 3.26Å; F62-L135 HydrophobicContact CE2-CD2 3.2Å; F62-L135 HydrophobicContact CE2-CG 3.79Å; F62-L135 HydrophobicContact CG-CD2 4.2Å; F62-L135 HydrophobicContact CZ-CB 4.49Å; F62-L135 HydrophobicContact CZ-CD1 3.83Å; F62-L135 HydrophobicContact CZ-CD2 3.58Å; F62-L135 HydrophobicContact CZ-CG 4.16Å; S131-L135 VanDerWaalsContact O-CB 3.24Å; S131-L135 WeakPolarHBondContact O-CB 3.46Å; S131-L135 PolarHBondContact O-N 3.25Å; F132-L135 PolarHBondContact O-N 3.36Å; F132-L135 VanDerWaalsContact O-N 3.12Å; T133-L135 VanDerWaalsContact C-N 3.29Å; T133-L135 PolarHBondContact O-N 2.9Å |
| 136 | L | 63.4 | Low | 67.4 | Low | 71 Ų | 71 | 94.7 Ų | 94.7 | 37% | 0.372 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -74.2 | -34.7 | 174.4 | -68.2 | -164.5 | 0 | 0 | 0 | 112.8 | F132 T133 S138 | F132-L136 HydrophobicContact CD1-CD1 4.2Å; F132-L136 HydrophobicContact CD1-CG 4.46Å; F132-L136 HydrophobicContact CE1-CD1 3.35Å; F132-L136 HydrophobicContact CE1-CG 3.97Å; F132-L136 HydrophobicContact CE2-CD1 4.21Å; F132-L136 HydrophobicContact CE2-CD2 4.45Å; F132-L136 HydrophobicContact CE2-CG 4.15Å; F132-L136 HydrophobicContact CZ-CD1 3.37Å; F132-L136 HydrophobicContact CZ-CD2 4.32Å; F132-L136 HydrophobicContact CZ-CG 3.81Å; F132-L136 PolarHBondContact O-N 3.34Å; T133-L136 PolarHBondContact O-N 3.13Å; L136-S138 VanDerWaalsContact C-N 3.34Å |
| 137 | F | 59.4 | Low | 68.3 | Low | 101 Ų | 101 | 94.2 Ų | 94.2 | 44% | 0.443 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 19.5 | 173.4 | -76.5 | -87.1 | 0 | 0 | 0 | 113.1 | T133 R134 N139 I142 L146 | T133-F137 WeakPolarHBondContact O-CA 3.42Å; T133-F137 WeakPolarHBondContact O-CB 3.46Å; T133-F137 WeakPolarHBondContact O-CD2 3.38Å; T133-F137 PolarHBondContact O-N 2.93Å; R134-F137 CarbonylContact O-C 3.44Å; F137-N139 PolarHBondContact O-N 3.48Å; F137-I142 HydrophobicContact CB-CG2 4.08Å; F137-I142 HydrophobicContact CD1-CB 4.47Å; F137-I142 HydrophobicContact CD1-CG2 3.77Å; F137-I142 HydrophobicContact CG-CG2 4.39Å; F137-I142 WeakPolarHBondContact O-CG2 3.37Å; F137-L146 HydrophobicContact CE1-CD2 4.48Å |
| 138 | S | 60 | Low | 68.8 | Low | 68 Ų | 68 | 98.6 Ų | 98.6 | 48% | 0.476 | 49% | 0.493 | S | S | . | . | trans | -57.7 | 120.3 | 173.4 | -170.8 | 0 | 0 | 0 | 0 | 106.5 | R134 L136 E140 R141 | R134-S138 WeakPolarHBondContact O-CA 3.31Å; R134-S138 WeakPolarHBondContact O-CB 3.4Å; R134-S138 PolarHBondContact O-N 2.65Å; L136-S138 VanDerWaalsContact C-N 3.34Å; S138-E140 PolarHBondContact O-N 2.84Å; S138-R141 PolarHBondContact O-N 3.35Å | ||
| 139 | N | 56.8 | Low | 69.4 | Low | 136 Ų | 136 | 101.6 Ų | 101.6 | 73% | 0.727 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -23 | -156.2 | -78.2 | -41.3 | 0 | 0 | 0 | 114.4 | F137 R141 I142 | F137-N139 PolarHBondContact O-N 3.48Å; N139-R141 VanDerWaalsContact C-N 3.3Å; N139-R141 PolarHBondContact O-N 2.99Å; N139-I142 WeakPolarHBondContact O-CD1 3.17Å; N139-I142 VanDerWaalsContact O-CG1 3.31Å; N139-I142 WeakPolarHBondContact O-CG1 3.41Å |
| 140 | E | 66.9 | Low | 70.5 | Confident | 182 Ų | 182 | 99.3 Ų | 99.3 | 85% | 0.85 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -19.3 | -176.9 | -154.5 | 160.2 | -171.7 | 0 | 0 | 114.1 | S138 | S138-E140 PolarHBondContact O-N 2.84Š|
| 141 | R | 68.6 | Low | 71.8 | Confident | 194 Ų | 194 | 96.9 Ų | 96.9 | 73% | 0.732 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -123.7 | 5.6 | -175.8 | -57.4 | -176.9 | -173.5 | -176.7 | 1.3 | 114.5 | S138 N139 S143 Y144 T145 | S138-R141 PolarHBondContact O-N 3.35Å; N139-R141 VanDerWaalsContact C-N 3.3Å; N139-R141 PolarHBondContact O-N 2.99Å; R141-S143 VanDerWaalsContact C-N 3.25Å; R141-S143 PolarHBondContact O-N 2.79Å; R141-Y144 WeakPolarHBondContact O-CB 3.26Å; R141-Y144 PolarHBondContact O-N 3.31Å; R141-T145 PolarHBondContact O-N 3.48Å; R141-T145 PolarHBondContact O-OG1 2.81Å |
| 142 | I | 75.3 | Confident | 72.7 | Confident | 44 Ų | 44 | 96.4 Ų | 96.4 | 23% | 0.226 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -58.5 | -36.3 | -177.3 | 59.6 | -170.3 | 0 | 0 | 0 | 112.7 | F137 N139 Y144 T145 L146 | F137-I142 HydrophobicContact CB-CG2 4.08Å; F137-I142 HydrophobicContact CD1-CB 4.47Å; F137-I142 HydrophobicContact CD1-CG2 3.77Å; F137-I142 HydrophobicContact CG-CG2 4.39Å; F137-I142 WeakPolarHBondContact O-CG2 3.37Å; N139-I142 WeakPolarHBondContact O-CD1 3.17Å; N139-I142 VanDerWaalsContact O-CG1 3.31Å; N139-I142 WeakPolarHBondContact O-CG1 3.41Å; I142-Y144 PolarHBondContact O-N 3.47Å; I142-T145 WeakPolarHBondContact CA-OG1 3.28Å; I142-T145 PolarHBondContact O-N 2.88Å; I142-T145 PolarHBondContact O-OG1 2.78Å; I142-L146 VanDerWaalsContact O-CB 3.22Å; I142-L146 WeakPolarHBondContact O-CB 3.39Å; I142-L146 VanDerWaalsContact O-CG 3.26Å; I142-L146 WeakPolarHBondContact O-CG 3.45Å; I142-L146 PolarHBondContact O-N 3.37Å |
| 143 | S | 81.7 | Confident | 73.6 | Confident | 90 Ų | 90 | 98.3 Ų | 98.3 | 63% | 0.629 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59.5 | -37.8 | 177 | -55.6 | 0 | 0 | 0 | 0 | 111.1 | R141 L147 | R141-S143 VanDerWaalsContact C-N 3.25Å; R141-S143 PolarHBondContact O-N 2.79Å; S143-L147 VanDerWaalsContact O-CB 3.28Å; S143-L147 WeakPolarHBondContact O-CB 3.33Å; S143-L147 PolarHBondContact O-N 2.76Å |
| 144 | Y | 75.2 | Confident | 74.6 | Confident | 181 Ų | 181 | 98.1 Ų | 98.1 | 71% | 0.71 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -71.9 | -44.9 | -179.9 | -172.6 | -98.4 | 0 | 0 | 0 | 112.4 | R141 I142 L147 Y148 | R141-Y144 WeakPolarHBondContact O-CB 3.26Å; R141-Y144 PolarHBondContact O-N 3.31Å; I142-Y144 PolarHBondContact O-N 3.47Å; Y144-L147 PolarHBondContact O-N 2.78Å; Y144-Y148 WeakPolarHBondContact O-CB 3.33Å; Y144-Y148 PolarHBondContact O-N 2.78Å |
| 145 | T | 79.9 | Confident | 75.6 | Confident | 46 Ų | 46 | 94.8 Ų | 94.8 | 28% | 0.282 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67 | -40.3 | 177 | 32.3 | 0 | 0 | 0 | 0 | 111.9 | R141 I142 L147 Y148 F149 | R141-T145 PolarHBondContact O-N 3.48Å; R141-T145 PolarHBondContact O-OG1 2.81Å; I142-T145 WeakPolarHBondContact CA-OG1 3.28Å; I142-T145 PolarHBondContact O-N 2.88Å; I142-T145 PolarHBondContact O-OG1 2.78Å; T145-L147 VanDerWaalsContact C-N 3.35Å; T145-Y148 PolarHBondContact O-N 3.01Å; T145-F149 VanDerWaalsContact O-CB 3.31Å; T145-F149 WeakPolarHBondContact O-CB 3.15Å; T145-F149 PolarHBondContact O-N 2.93Å |
| 146 | L | 82.3 | Confident | 76.3 | Confident | 101 Ų | 101 | 92 Ų | 92 | 53% | 0.529 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.9 | -37.4 | 172.9 | -73.2 | 172.8 | 0 | 0 | 0 | 111.8 | F137 I142 G150 | F137-L146 HydrophobicContact CE1-CD2 4.48Å; I142-L146 VanDerWaalsContact O-CB 3.22Å; I142-L146 WeakPolarHBondContact O-CB 3.39Å; I142-L146 VanDerWaalsContact O-CG 3.26Å; I142-L146 WeakPolarHBondContact O-CG 3.45Å; I142-L146 PolarHBondContact O-N 3.37Å; L146-G150 VanDerWaalsContact O-CA 3.24Å; L146-G150 WeakPolarHBondContact O-CA 3.24Å; L146-G150 PolarHBondContact O-N 3.47Å |
| 147 | L | 87.4 | Confident | 77 | Confident | 127 Ų | 127 | 95.7 Ų | 95.7 | 67% | 0.665 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67 | -40.3 | 175.1 | -132.7 | 134 | 0 | 0 | 0 | 111.6 | S143 Y144 T145 S151 | S143-L147 VanDerWaalsContact O-CB 3.28Å; S143-L147 WeakPolarHBondContact O-CB 3.33Å; S143-L147 PolarHBondContact O-N 2.76Å; Y144-L147 PolarHBondContact O-N 2.78Å; T145-L147 VanDerWaalsContact C-N 3.35Å; L147-S151 WeakPolarHBondContact O-CB 3.26Å; L147-S151 PolarHBondContact O-N 3.5Å |
| 148 | Y | 79.7 | Confident | 77.8 | Confident | 153 Ų | 153 | 97.1 Ų | 97.1 | 60% | 0.6 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.7 | -54.3 | 176.1 | -179.2 | -105.4 | 0 | 0 | 0 | 110.9 | Y144 T145 G150 S151 L152 | Y144-Y148 WeakPolarHBondContact O-CB 3.33Å; Y144-Y148 PolarHBondContact O-N 2.78Å; T145-Y148 PolarHBondContact O-N 3.01Å; Y148-G150 VanDerWaalsContact C-N 3.29Å; Y148-G150 PolarHBondContact O-N 3.46Å; Y148-S151 PolarHBondContact O-N 3.08Å; Y148-L152 HydrophobicContact CD1-CD1 3.66Å; Y148-L152 HydrophobicContact CD2-CD1 4.43Å; Y148-L152 HydrophobicContact CE1-CD1 3.34Å; Y148-L152 HydrophobicContact CE2-CD1 4.17Å; Y148-L152 HydrophobicContact CG-CD1 4.2Å; Y148-L152 WeakPolarHBondContact O-CB 3.37Å; Y148-L152 WeakPolarHBondContact O-CD1 3.2Å; Y148-L152 WeakPolarHBondContact O-CG 3.32Å; Y148-L152 PolarHBondContact O-N 2.92Å |
| 149 | F | 83.3 | Confident | 78.3 | Confident | 83 Ų | 83 | 97.3 Ų | 97.3 | 36% | 0.364 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.7 | -38.7 | 178.2 | -162.5 | -84.6 | 0 | 0 | 0 | 111.7 | S116 T145 L152 V153 | S116-F149 WeakPolarHBondContact OG-CE2 3.43Å; T145-F149 VanDerWaalsContact O-CB 3.31Å; T145-F149 WeakPolarHBondContact O-CB 3.15Å; T145-F149 PolarHBondContact O-N 2.93Å; F149-L152 WeakPolarHBondContact O-CB 3.27Å; F149-L152 PolarHBondContact O-N 3.43Å; F149-V153 HydrophobicContact CD1-CG2 3.9Å; F149-V153 HydrophobicContact CE1-CG2 3.78Å; F149-V153 VanDerWaalsContact O-CG2 3.32Å; F149-V153 WeakPolarHBondContact O-CG2 3.29Å; F149-V153 PolarHBondContact O-N 3Å |
| 150 | G | 87.3 | Confident | 79 | Confident | 33 Ų | 33 | 92 Ų | 92 | 34% | 0.34 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66 | -45.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L146 Y148 L152 V153 A154 | L146-G150 VanDerWaalsContact O-CA 3.24Å; L146-G150 WeakPolarHBondContact O-CA 3.24Å; L146-G150 PolarHBondContact O-N 3.47Å; Y148-G150 VanDerWaalsContact C-N 3.29Å; Y148-G150 PolarHBondContact O-N 3.46Å; G150-L152 PolarHBondContact O-N 3.22Å; G150-V153 CarbonylContact O-C 3.49Å; G150-V153 PolarHBondContact O-N 2.92Å; G150-A154 WeakPolarHBondContact O-CA 3.2Å; G150-A154 WeakPolarHBondContact O-CB 3.49Å; G150-A154 PolarHBondContact O-N 3.11Å |
| 151 | S | 88.1 | Confident | 79.1 | Confident | 62 Ų | 62 | 89.7 Ų | 89.7 | 43% | 0.434 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -57.3 | -40.7 | 173.9 | 162.7 | 0 | 0 | 0 | 0 | 111.7 | L147 Y148 A154 T155 | L147-S151 WeakPolarHBondContact O-CB 3.26Å; L147-S151 PolarHBondContact O-N 3.5Å; Y148-S151 PolarHBondContact O-N 3.08Å; S151-A154 PolarHBondContact O-N 3.39Å; S151-T155 WeakPolarHBondContact O-CB 3.19Å; S151-T155 PolarHBondContact O-N 3.35Å; S151-T155 PolarHBondContact O-OG1 3.5Å |
| 152 | L | 82 | Confident | 78.9 | Confident | 37 Ų | 37 | 84.4 Ų | 84.4 | 19% | 0.194 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -67.4 | -47.7 | 177.6 | -74.9 | 171.4 | 0 | 0 | 0 | 112.3 | Y112 Y148 F149 G150 A154 L156 | Y112-L152 HydrophobicContact CE1-CB 3.56Å; Y112-L152 HydrophobicContact CE1-CG 4.38Å; Y112-L152 HydrophobicContact CE2-CD2 4.25Å; Y112-L152 WeakPolarHBondContact OH-CB 3.38Å; Y112-L152 WeakPolarHBondContact OH-CD1 3.44Å; Y112-L152 WeakPolarHBondContact OH-CD2 3.33Å; Y112-L152 WeakPolarHBondContact OH-CG 3.38Å; Y148-L152 HydrophobicContact CD1-CD1 3.66Å; Y148-L152 HydrophobicContact CD2-CD1 4.43Å; Y148-L152 HydrophobicContact CE1-CD1 3.34Å; Y148-L152 HydrophobicContact CE2-CD1 4.17Å; Y148-L152 HydrophobicContact CG-CD1 4.2Å; Y148-L152 WeakPolarHBondContact O-CB 3.37Å; Y148-L152 WeakPolarHBondContact O-CD1 3.2Å; Y148-L152 WeakPolarHBondContact O-CG 3.32Å; Y148-L152 PolarHBondContact O-N 2.92Å; F149-L152 WeakPolarHBondContact O-CB 3.27Å; F149-L152 PolarHBondContact O-N 3.43Å; G150-L152 PolarHBondContact O-N 3.22Å; L152-A154 VanDerWaalsContact C-N 3.31Å; L152-A154 PolarHBondContact O-N 3.4Å; L152-L156 VanDerWaalsContact O-CB 3.32Å; L152-L156 WeakPolarHBondContact O-CB 3.47Å; L152-L156 PolarHBondContact O-N 2.97Å |
| 153 | V | 83.5 | Confident | 78.3 | Confident | 56 Ų | 56 | 86.8 Ų | 86.8 | 34% | 0.339 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65 | -35.2 | 173.4 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | F149 G150 L156 Y157 | F149-V153 HydrophobicContact CD1-CG2 3.9Å; F149-V153 HydrophobicContact CE1-CG2 3.78Å; F149-V153 VanDerWaalsContact O-CG2 3.32Å; F149-V153 WeakPolarHBondContact O-CG2 3.29Å; F149-V153 PolarHBondContact O-N 3Å; G150-V153 CarbonylContact O-C 3.49Å; G150-V153 PolarHBondContact O-N 2.92Å; V153-L156 WeakPolarHBondContact O-CB 3.32Å; V153-L156 PolarHBondContact O-N 3.31Å; V153-Y157 WeakPolarHBondContact O-CB 3.21Å; V153-Y157 PolarHBondContact O-N 2.91Å |
| 154 | A | 84.2 | Confident | 77.3 | Confident | 54 Ų | 54 | 85.6 Ų | 85.6 | 45% | 0.446 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -71.4 | -44.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G150 S151 L152 L156 Y157 F158 | G150-A154 WeakPolarHBondContact O-CA 3.2Å; G150-A154 WeakPolarHBondContact O-CB 3.49Å; G150-A154 PolarHBondContact O-N 3.11Å; S151-A154 PolarHBondContact O-N 3.39Å; L152-A154 VanDerWaalsContact C-N 3.31Å; L152-A154 PolarHBondContact O-N 3.4Å; A154-L156 PolarHBondContact O-N 2.84Å; A154-Y157 PolarHBondContact O-N 3.36Å; A154-F158 WeakPolarHBondContact O-CB 3.44Å; A154-F158 PolarHBondContact O-N 3.36Å |
| 155 | T | 83.6 | Confident | 76.6 | Confident | 96 Ų | 96 | 81.7 Ų | 81.7 | 59% | 0.589 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -56.8 | -43 | 174.9 | -60.2 | 0 | 0 | 0 | 0 | 110.3 | S151 S159 | S151-T155 WeakPolarHBondContact O-CB 3.19Å; S151-T155 PolarHBondContact O-N 3.35Å; S151-T155 PolarHBondContact O-OG1 3.5Å; T155-S159 WeakPolarHBondContact O-CB 3.49Å; T155-S159 PolarHBondContact O-N 3Å |
| 156 | L | 74.1 | Confident | 76 | Confident | 17 Ų | 17 | 88.6 Ų | 88.6 | 9% | 0.089 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -70 | -42.2 | 178.2 | -168.7 | 78.9 | 0 | 0 | 0 | 112.7 | F108 G109 Y112 T113 L152 V153 A154 F158 S159 V160 | F108-L156 HydrophobicContact CD1-CD1 4Å; F108-L156 HydrophobicContact CE1-CD1 4.4Å; G109-L156 WeakPolarHBondContact O-CD2 3.42Å; Y112-L156 VanDerWaalsContact CB-CD1 3.48Å; Y112-L156 HydrophobicContact CD1-CD1 4.43Å; Y112-L156 HydrophobicContact CD1-CD2 3.74Å; Y112-L156 HydrophobicContact CD1-CG 4.49Å; Y112-L156 HydrophobicContact CD2-CD1 4.49Å; Y112-L156 HydrophobicContact CG-CD1 3.85Å; Y112-L156 HydrophobicContact CG-CD2 3.94Å; Y112-L156 HydrophobicContact CG-CG 4.38Å; T113-L156 HydrophobicContact CG2-CD2 4.33Å; L152-L156 VanDerWaalsContact O-CB 3.32Å; L152-L156 WeakPolarHBondContact O-CB 3.47Å; L152-L156 PolarHBondContact O-N 2.97Å; V153-L156 WeakPolarHBondContact O-CB 3.32Å; V153-L156 PolarHBondContact O-N 3.31Å; A154-L156 PolarHBondContact O-N 2.84Å; L156-F158 VanDerWaalsContact C-N 3.35Å; L156-S159 PolarHBondContact O-N 3.29Å; L156-V160 WeakPolarHBondContact O-CB 3.42Å; L156-V160 WeakPolarHBondContact O-CG2 3.49Å; L156-V160 PolarHBondContact O-N 2.83Å |
| 157 | Y | 77 | Confident | 74.9 | Confident | 149 Ų | 149 | 92 Ų | 92 | 58% | 0.584 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63 | -44 | 176.5 | -175.4 | -94.8 | 0 | 0 | 0 | 110.3 | V153 A154 V160 W161 | V153-Y157 WeakPolarHBondContact O-CB 3.21Å; V153-Y157 PolarHBondContact O-N 2.91Å; A154-Y157 PolarHBondContact O-N 3.36Å; Y157-V160 PolarHBondContact O-N 3.49Å; Y157-W161 HydrophobicContact CD1-CB 4.45Å; Y157-W161 HydrophobicContact CE1-CB 4.27Å; Y157-W161 HydrophobicContact CE1-CD2 4.41Å; Y157-W161 HydrophobicContact CE1-CG 4.28Å; Y157-W161 WeakPolarHBondContact O-CB 3.42Å; Y157-W161 PolarHBondContact O-N 2.87Å |
| 158 | F | 77.6 | Confident | 73.7 | Confident | 130 Ų | 130 | 90.3 Ų | 90.3 | 57% | 0.57 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.6 | -46.4 | 176 | -168.7 | -100.2 | 0 | 0 | 0 | 111.5 | A154 L156 V160 W161 V162 | A154-F158 WeakPolarHBondContact O-CB 3.44Å; A154-F158 PolarHBondContact O-N 3.36Å; L156-F158 VanDerWaalsContact C-N 3.35Å; F158-V160 VanDerWaalsContact C-N 3.34Å; F158-V160 PolarHBondContact O-N 3.13Å; F158-W161 PolarHBondContact O-N 3.27Å; F158-V162 HydrophobicContact CE1-CG2 4.12Å; F158-V162 HydrophobicContact CZ-CG2 4.19Å; F158-V162 WeakPolarHBondContact O-CB 3.39Å; F158-V162 PolarHBondContact O-N 2.8Å |
| 159 | S | 70.4 | Confident | 73 | Confident | 72 Ų | 72 | 90.9 Ų | 90.9 | 50% | 0.503 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.7 | -43.2 | 176.2 | -179.6 | 0 | 0 | 0 | 0 | 112.4 | T155 L156 S163 | T155-S159 WeakPolarHBondContact O-CB 3.49Å; T155-S159 PolarHBondContact O-N 3Å; L156-S159 PolarHBondContact O-N 3.29Å; S159-S163 PolarHBondContact O-N 2.67Å |
| 160 | V | 70.7 | Confident | 71.3 | Confident | 24 Ų | 24 | 97.7 Ų | 97.7 | 15% | 0.145 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -71.8 | -40.5 | 177.6 | 169.1 | 0 | 0 | 0 | 0 | 112.3 | K107 L156 Y157 F158 S163 S164 | K107-V160 HydrophobicContact CB-CG1 4.48Å; K107-V160 HydrophobicContact CB-CG2 4.27Å; K107-V160 HydrophobicContact CD-CG1 3.54Å; K107-V160 HydrophobicContact CG-CG1 3.75Å; K107-V160 HydrophobicContact CG-CG2 4.39Å; L156-V160 WeakPolarHBondContact O-CB 3.42Å; L156-V160 WeakPolarHBondContact O-CG2 3.49Å; L156-V160 PolarHBondContact O-N 2.83Å; Y157-V160 PolarHBondContact O-N 3.49Å; F158-V160 VanDerWaalsContact C-N 3.34Å; F158-V160 PolarHBondContact O-N 3.13Å; V160-S163 PolarHBondContact O-N 2.8Å; V160-S164 PolarHBondContact O-N 2.85Å; V160-S164 PolarHBondContact O-OG 3.09Å |
| 161 | W | 68.8 | Low | 70.5 | Confident | 135 Ų | 135 | 101 Ų | 101 | 51% | 0.511 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -69 | -40.1 | -176.9 | -171.1 | 46 | 0 | 0 | 0 | 111.3 | Y157 F158 S163 S164 N165 | Y157-W161 HydrophobicContact CD1-CB 4.45Å; Y157-W161 HydrophobicContact CE1-CB 4.27Å; Y157-W161 HydrophobicContact CE1-CD2 4.41Å; Y157-W161 HydrophobicContact CE1-CG 4.28Å; Y157-W161 WeakPolarHBondContact O-CB 3.42Å; Y157-W161 PolarHBondContact O-N 2.87Å; F158-W161 PolarHBondContact O-N 3.27Å; W161-S163 VanDerWaalsContact C-N 3.31Å; W161-S163 PolarHBondContact O-N 2.9Å; W161-S164 PolarHBondContact O-N 3.09Å; W161-S164 VanDerWaalsContact O-N 3.13Å; W161-N165 PolarHBondContact NE1-ND2 3.29Å; W161-N165 VanDerWaalsContact NE1-ND2 3.14Å; W161-N165 PolarHBondContact O-N 2.76Å; W161-N165 PolarHBondContact O-ND2 2.77Å |
| 162 | V | 65.9 | Low | 69.6 | Low | 82 Ų | 82 | 103 Ų | 103 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -58 | -42.6 | 172 | 144.9 | 0 | 0 | 0 | 0 | 111.7 | F158 S164 N165 F166 | F158-V162 HydrophobicContact CE1-CG2 4.12Å; F158-V162 HydrophobicContact CZ-CG2 4.19Å; F158-V162 WeakPolarHBondContact O-CB 3.39Å; F158-V162 PolarHBondContact O-N 2.8Å; V162-S164 PolarHBondContact O-N 3Å; V162-N165 PolarHBondContact O-N 2.89Å; V162-F166 PolarHBondContact O-N 3.26Å |
| 163 | S | 62.5 | Low | 68.9 | Low | 94 Ų | 94 | 106.7 Ų | 106.7 | 66% | 0.657 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.3 | -26.8 | 179.2 | -129 | 0 | 0 | 0 | 0 | 113.2 | S159 V160 W161 | S159-S163 PolarHBondContact O-N 2.67Å; V160-S163 PolarHBondContact O-N 2.8Å; W161-S163 VanDerWaalsContact C-N 3.31Å; W161-S163 PolarHBondContact O-N 2.9Å |
| 164 | S | 60.1 | Low | 68.1 | Low | 66 Ų | 66 | 109.6 Ų | 109.6 | 46% | 0.462 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -81.4 | -33.6 | -177.8 | -47.6 | 0 | 0 | 0 | 0 | 112.7 | V160 W161 V162 | V160-S164 PolarHBondContact O-N 2.85Å; V160-S164 PolarHBondContact O-OG 3.09Å; W161-S164 PolarHBondContact O-N 3.09Å; W161-S164 VanDerWaalsContact O-N 3.13Å; V162-S164 PolarHBondContact O-N 3Å |
| 165 | N | 61.4 | Low | 67.1 | Low | 98 Ų | 98 | 113.1 Ų | 113.1 | 52% | 0.524 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -87.9 | -13.6 | -175.4 | -69.5 | -80.3 | 0 | 0 | 0 | 113.6 | W161 V162 K167 P168 | W161-N165 PolarHBondContact NE1-ND2 3.29Å; W161-N165 VanDerWaalsContact NE1-ND2 3.14Å; W161-N165 PolarHBondContact O-N 2.76Å; W161-N165 PolarHBondContact O-ND2 2.77Å; V162-N165 PolarHBondContact O-N 2.89Å; N165-K167 VanDerWaalsContact C-N 3.27Å; N165-K167 PolarHBondContact O-N 2.83Å; N165-P168 WeakPolarHBondContact O-CD 3.08Å |
| 166 | F | 67 | Low | 66 | Low | 191 Ų | 191 | 114.3 Ų | 114.3 | 84% | 0.838 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 9.7 | 179.2 | -163.4 | -102.9 | 0 | 0 | 0 | 113.9 | V162 | V162-F166 PolarHBondContact O-N 3.26Š|
| 167 | K | 58.4 | Low | 65.4 | Low | 173 Ų | 173 | 121.2 Ų | 121.2 | 75% | 0.752 | 62% | 0.619 | S | S | * | * | trans | -121.8 | 65.5 | 173.6 | -159.2 | 170.4 | -179 | 160.1 | 0 | 113.7 | N165 | N165-K167 VanDerWaalsContact C-N 3.27Å; N165-K167 PolarHBondContact O-N 2.83Å | ||
| 168 | P | 61.9 | Low | 64.5 | Low | 91 Ų | 91 | 119.1 Ų | 119.1 | 59% | 0.591 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -115.1 | 126.4 | 145 | 33.2 | -24.9 | 0 | 0 | 0 | 109.3 | N165 | N165-P168 WeakPolarHBondContact O-CD 3.08Š|
| 169 | I | 64.7 | Low | 63.4 | Low | 166 Ų | 166 | 118.2 Ų | 118.2 | 85% | 0.851 | 63% | 0.626 | S | S | * | * | trans | 99.2 | 49.3 | 167.4 | -52.6 | 140.4 | 0 | 0 | 0 | 116.6 | ||||
| 170 | L | 49.1 | Very low | 62.8 | Low | 226 Ų | 226 | 122.4 Ų | 122.4 | 100% | 1.183 | 64% | 0.637 | S | S | * | * | trans | -143.9 | 0 | 136.4 | -152.5 | 101.4 | 0 | 0 | 0 | 108.3 |
Retrieved 170 of 170 residues in 376.2 ms
(Link to these results)