| 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 | 36.3 | Very low | 42 | Very low | 240 Ų | 240 | 149.4 Ų | 149.4 | 100% | 1.182 | 83% | 0.826 | S | S | * | * | 0 | 124.7 | 0 | -78.5 | 157.5 | 77.7 | 0 | 0 | 106.1 | |||||
| 2 | V | 37 | Very low | 42.7 | Very low | 123 Ų | 123 | 147.1 Ų | 147.1 | 75% | 0.745 | 82% | 0.823 | S | S | * | * | cis | -161.7 | 134 | 5.9 | 148.3 | 0 | 0 | 0 | 0 | 102.5 | ||||
| 3 | Q | 39.4 | Very low | 42.9 | Very low | 160 Ų | 160 | 142 Ų | 142 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | trans | -86.7 | 156.6 | 156.3 | -82.6 | -163.4 | 19.6 | 0 | 0 | 108.4 | ||||
| 4 | P | 50.3 | Low | 43.4 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | -142.4 | 146.9 | 111.1 | 30.4 | -12.7 | 0 | 0 | 0 | 115.2 | |||||
| 5 | Q | 42.9 | Very low | 43.8 | Very low | 158 Ų | 158 | 137.5 Ų | 137.5 | 74% | 0.738 | 81% | 0.812 | S | S | * | * | trans | -62 | 143.8 | 165.1 | -70.6 | -90.5 | 32.5 | 0 | 0 | 112.1 | ||||
| 6 | T | 42 | Very low | 44.7 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -142.4 | 124.3 | 149.8 | 55.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 7 | S | 47 | Very low | 45.6 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -71.6 | 146.5 | 175 | -46.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 8 | K | 38.8 | Very low | 46.7 | Very low | 207 Ų | 207 | 127.8 Ų | 127.8 | 90% | 0.9 | 77% | 0.771 | S | S | * | * | trans | -164.2 | 127 | 148.9 | -143.8 | 161.6 | 179.8 | 172.5 | 0 | 115.4 | ||||
| 9 | A | 41.7 | Very low | 47.6 | Very low | 86 Ų | 86 | 127.4 Ų | 127.4 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | trans | 58.4 | 111.1 | 151.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 10 | E | 34.3 | Very low | 48.8 | Very low | 191 Ų | 191 | 123.9 Ų | 123.9 | 89% | 0.893 | 75% | 0.749 | S | S | * | * | 51.8 | 94.2 | 66.6 | -159.6 | 160.8 | 115.5 | 0 | 0 | 113.7 | |||||
| 11 | S | 52.1 | Low | 50.3 | Low | 105 Ų | 105 | 124.2 Ų | 124.2 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | trans | 27.4 | 150.6 | 147.1 | -130.7 | 0 | 0 | 0 | 0 | 121.1 | A13 | S11-A13 PolarHBondContact OG-N 3.16Š| ||
| 12 | P | 50.3 | Low | 52.6 | Low | 122 Ų | 122 | 118.2 Ų | 118.2 | 79% | 0.792 | 71% | 0.713 | S | S | * | * | -142.1 | 142.2 | 81.6 | 31.5 | -12.3 | 0 | 0 | 0 | 116.1 | |||||
| 13 | A | 45.5 | Very low | 55.1 | Low | 81 Ų | 81 | 116.7 Ų | 116.7 | 67% | 0.669 | 70% | 0.701 | S | S | * | * | trans | 24.8 | 112.8 | 133.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | S11 A15 | S11-A13 PolarHBondContact OG-N 3.16Å; A13-A15 PolarHBondContact O-N 3.03Å | ||
| 14 | S | 50.1 | Low | 57.5 | Low | 123 Ų | 123 | 113.9 Ų | 113.9 | 86% | 0.86 | 69% | 0.691 | S | S | * | * | trans | -47.8 | 110.7 | 155.7 | -169.9 | 0 | 0 | 0 | 0 | 109.2 | A16 | S14-A16 VanDerWaalsContact C-N 3.33Å; S14-A16 PolarHBondContact O-N 2.85Å | ||
| 15 | A | 48.9 | Very low | 59.5 | Low | 94 Ų | 94 | 112.1 Ų | 112.1 | 78% | 0.777 | 68% | 0.678 | S | S | * | * | trans | -65.9 | 94.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | A13 S17 | A13-A15 PolarHBondContact O-N 3.03Å; A15-S17 PolarHBondContact O-N 3.42Å; A15-S17 VanDerWaalsContact O-N 3.16Å | ||
| 16 | A | 59.4 | Low | 61.9 | Low | 66 Ų | 66 | 108.2 Ų | 108.2 | 55% | 0.545 | 66% | 0.661 | S | S | . | * | trans | -57.6 | 119.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | S14 | S14-A16 VanDerWaalsContact C-N 3.33Å; S14-A16 PolarHBondContact O-N 2.85Å | ||
| 17 | S | 59.4 | Low | 64.4 | Low | 73 Ų | 73 | 106.5 Ų | 106.5 | 51% | 0.51 | 65% | 0.647 | S | S | . | * | trans | -57.3 | 133.3 | -179.4 | -146.4 | 0 | 0 | 0 | 0 | 109 | A15 N19 A20 Q21 | A15-S17 PolarHBondContact O-N 3.42Å; A15-S17 VanDerWaalsContact O-N 3.16Å; S17-N19 PolarHBondContact O-N 2.9Å; S17-A20 WeakPolarHBondContact O-CB 3.4Å; S17-A20 PolarHBondContact O-N 3.46Å; S17-Q21 PolarHBondContact O-N 3.46Å | ||
| 18 | P | 65 | Low | 66.7 | Low | 99 Ų | 99 | 104.5 Ų | 104.5 | 64% | 0.643 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -57.5 | -25.5 | -177.1 | 19.8 | -30.8 | 0 | 0 | 0 | 113.1 | M22 | P18-M22 PolarHBondContact O-N 3.24Å |
| 19 | N | 63.6 | Low | 69.5 | Low | 120 Ų | 120 | 98.5 Ų | 98.5 | 64% | 0.642 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.6 | -39.8 | 172.3 | -72.3 | -1.1 | 0 | 0 | 0 | 112.6 | S17 Q21 M22 D23 | S17-N19 PolarHBondContact O-N 2.9Å; N19-Q21 VanDerWaalsContact C-N 3.33Å; N19-Q21 PolarHBondContact O-N 3.04Å; N19-M22 PolarHBondContact O-N 3.41Å; N19-M22 VanDerWaalsContact O-N 3.16Å; N19-D23 PolarHBondContact O-N 2.95Å |
| 20 | A | 71.6 | Confident | 72 | Confident | 56 Ų | 56 | 97.3 Ų | 97.3 | 46% | 0.463 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.1 | -31.5 | -180 | 0 | 0 | 0 | 0 | 0 | 112.6 | S17 D24 | S17-A20 WeakPolarHBondContact O-CB 3.4Å; S17-A20 PolarHBondContact O-N 3.46Å; A20-D24 PolarHBondContact O-N 3.3Å |
| 21 | Q | 80.8 | Confident | 74.9 | Confident | 131 Ų | 131 | 91.4 Ų | 91.4 | 61% | 0.612 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -69.9 | -38.4 | 171.2 | -87.6 | -172.2 | 3.7 | 0 | 0 | 112.2 | S17 N19 D24 V25 | S17-Q21 PolarHBondContact O-N 3.46Å; N19-Q21 VanDerWaalsContact C-N 3.33Å; N19-Q21 PolarHBondContact O-N 3.04Å; Q21-D24 PolarHBondContact O-N 2.97Å; Q21-V25 VanDerWaalsContact O-CG2 3.29Å; Q21-V25 WeakPolarHBondContact O-CG2 3.24Å; Q21-V25 PolarHBondContact O-N 3.16Å |
| 22 | M | 85.3 | Confident | 77 | Confident | 114 Ų | 114 | 91.6 Ų | 91.6 | 56% | 0.562 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -68 | -39 | 178.6 | -170.5 | 65.9 | -177.7 | 0 | 0 | 111.6 | P18 N19 V25 I26 | P18-M22 PolarHBondContact O-N 3.24Å; N19-M22 PolarHBondContact O-N 3.41Å; N19-M22 VanDerWaalsContact O-N 3.16Å; M22-V25 PolarHBondContact O-N 3.21Å; M22-I26 HydrophobicContact CE-CD1 4.47Å; M22-I26 HydrophobicContact CG-CD1 4.2Å; M22-I26 VanDerWaalsContact O-CG1 3.26Å; M22-I26 WeakPolarHBondContact O-CG1 3.29Å; M22-I26 PolarHBondContact O-N 3.32Å |
| 23 | D | 88.6 | Confident | 79.3 | Confident | 92 Ų | 92 | 93.8 Ų | 93.8 | 49% | 0.492 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.7 | -42.3 | 175.2 | -68.3 | -36.6 | 0 | 0 | 0 | 111.5 | N19 V25 I26 D27 | N19-D23 PolarHBondContact O-N 2.95Å; D23-V25 VanDerWaalsContact C-N 3.34Å; D23-V25 PolarHBondContact O-N 3.46Å; D23-I26 PolarHBondContact O-N 3.16Å; D23-I26 VanDerWaalsContact O-N 3.14Å; D23-D27 PolarHBondContact O-N 2.87Å |
| 24 | D | 89.8 | Confident | 81.7 | Confident | 101 Ų | 101 | 95.5 Ų | 95.5 | 54% | 0.54 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.2 | -39 | 173.8 | -176.5 | 70.6 | 0 | 0 | 0 | 112.4 | A20 Q21 I26 D27 T28 | A20-D24 PolarHBondContact O-N 3.3Å; Q21-D24 PolarHBondContact O-N 2.97Å; D24-I26 VanDerWaalsContact C-N 3.33Å; D24-I26 PolarHBondContact O-N 3.31Å; D24-D27 PolarHBondContact O-N 3.48Å; D24-T28 WeakPolarHBondContact O-CB 3.26Å; D24-T28 VanDerWaalsContact O-CG2 3.27Å; D24-T28 WeakPolarHBondContact O-CG2 3.27Å; D24-T28 PolarHBondContact O-N 3.05Å; D24-T28 PolarHBondContact O-OG1 3.43Å |
| 25 | V | 92.6 | Very high | 83.8 | Confident | 80 Ų | 80 | 93.2 Ų | 93.2 | 49% | 0.485 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.6 | -37.1 | 174 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | Q21 M22 D23 T28 L29 | Q21-V25 VanDerWaalsContact O-CG2 3.29Å; Q21-V25 WeakPolarHBondContact O-CG2 3.24Å; Q21-V25 PolarHBondContact O-N 3.16Å; M22-V25 PolarHBondContact O-N 3.21Å; D23-V25 VanDerWaalsContact C-N 3.34Å; D23-V25 PolarHBondContact O-N 3.46Å; V25-T28 VanDerWaalsContact CA-OG1 3.29Å; V25-T28 WeakPolarHBondContact CA-OG1 3.3Å; V25-T28 PolarHBondContact O-OG1 2.87Å; V25-L29 VanDerWaalsContact O-CB 3.24Å; V25-L29 WeakPolarHBondContact O-CB 3.29Å; V25-L29 PolarHBondContact O-N 2.88Å |
| 26 | I | 94.1 | Very high | 86.1 | Confident | 75 Ų | 75 | 92.1 Ų | 92.1 | 39% | 0.385 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.4 | -43.1 | 176.1 | -68.9 | 164.4 | 0 | 0 | 0 | 110.4 | M22 D23 D24 L29 T30 | M22-I26 HydrophobicContact CE-CD1 4.47Å; M22-I26 HydrophobicContact CG-CD1 4.2Å; M22-I26 VanDerWaalsContact O-CG1 3.26Å; M22-I26 WeakPolarHBondContact O-CG1 3.29Å; M22-I26 PolarHBondContact O-N 3.32Å; D23-I26 PolarHBondContact O-N 3.16Å; D23-I26 VanDerWaalsContact O-N 3.14Å; D24-I26 VanDerWaalsContact C-N 3.33Å; D24-I26 PolarHBondContact O-N 3.31Å; I26-L29 PolarHBondContact O-N 2.93Å; I26-T30 HydrophobicContact CG2-CG2 4.41Å; I26-T30 VanDerWaalsContact O-CG2 3.27Å; I26-T30 WeakPolarHBondContact O-CG2 3.43Å; I26-T30 PolarHBondContact O-N 2.89Å; I26-T30 PolarHBondContact O-OG1 3.38Å |
| 27 | D | 93.9 | Very high | 87.8 | Confident | 103 Ų | 103 | 91.2 Ų | 91.2 | 55% | 0.551 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.4 | -41.5 | 178.2 | -76.4 | -16.3 | 0 | 0 | 0 | 112.1 | D23 D24 T30 S31 | D23-D27 PolarHBondContact O-N 2.87Å; D24-D27 PolarHBondContact O-N 3.48Å; D27-T30 WeakPolarHBondContact CA-OG1 3.33Å; D27-T30 PolarHBondContact O-N 3.14Å; D27-T30 PolarHBondContact O-OG1 3.22Å; D27-S31 VanDerWaalsContact O-CB 3.3Å; D27-S31 WeakPolarHBondContact O-CB 3.27Å; D27-S31 PolarHBondContact O-N 3Å |
| 28 | T | 95.1 | Very high | 89.6 | Confident | 76 Ų | 76 | 89.9 Ų | 89.9 | 47% | 0.466 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 174.3 | 51.7 | 0 | 0 | 0 | 0 | 111.8 | D24 V25 S31 L32 | D24-T28 WeakPolarHBondContact O-CB 3.26Å; D24-T28 VanDerWaalsContact O-CG2 3.27Å; D24-T28 WeakPolarHBondContact O-CG2 3.27Å; D24-T28 PolarHBondContact O-N 3.05Å; D24-T28 PolarHBondContact O-OG1 3.43Å; V25-T28 VanDerWaalsContact CA-OG1 3.29Å; V25-T28 WeakPolarHBondContact CA-OG1 3.3Å; V25-T28 PolarHBondContact O-OG1 2.87Å; T28-S31 PolarHBondContact O-N 3.44Å; T28-L32 WeakPolarHBondContact O-CB 3.4Å; T28-L32 PolarHBondContact O-N 2.98Å |
| 29 | L | 96.5 | Very high | 91 | Very high | 81 Ų | 81 | 90.4 Ų | 90.4 | 42% | 0.424 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66 | -39.7 | 176.9 | -169.9 | 106.2 | 0 | 0 | 0 | 112.2 | V25 I26 L32 R33 | V25-L29 VanDerWaalsContact O-CB 3.24Å; V25-L29 WeakPolarHBondContact O-CB 3.29Å; V25-L29 PolarHBondContact O-N 2.88Å; I26-L29 PolarHBondContact O-N 2.93Å; L29-L32 PolarHBondContact O-N 3.08Å; L29-R33 VanDerWaalsContact CD2-CZ 3.42Å; L29-R33 WeakPolarHBondContact O-CB 3.35Å; L29-R33 VanDerWaalsContact O-CG 3.31Å; L29-R33 WeakPolarHBondContact O-CG 3.31Å; L29-R33 PolarHBondContact O-N 2.86Å |
| 30 | T | 95.9 | Very high | 92.6 | Very high | 60 Ų | 60 | 93 Ų | 93 | 37% | 0.368 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68 | -44.1 | 176.7 | 56.4 | 0 | 0 | 0 | 0 | 111.2 | I26 D27 L32 R33 L34 | I26-T30 HydrophobicContact CG2-CG2 4.41Å; I26-T30 VanDerWaalsContact O-CG2 3.27Å; I26-T30 WeakPolarHBondContact O-CG2 3.43Å; I26-T30 PolarHBondContact O-N 2.89Å; I26-T30 PolarHBondContact O-OG1 3.38Å; D27-T30 WeakPolarHBondContact CA-OG1 3.33Å; D27-T30 PolarHBondContact O-N 3.14Å; D27-T30 PolarHBondContact O-OG1 3.22Å; T30-L32 VanDerWaalsContact C-N 3.34Å; T30-L32 PolarHBondContact O-N 2.93Å; T30-R33 PolarHBondContact O-N 3.43Å; T30-L34 WeakPolarHBondContact O-CG 3.49Å; T30-L34 PolarHBondContact O-N 2.95Å |
| 31 | S | 95.2 | Very high | 93.8 | Very high | 67 Ų | 67 | 98.9 Ų | 98.9 | 47% | 0.469 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.7 | -44.2 | 173.3 | -177.4 | 0 | 0 | 0 | 0 | 112 | D27 T28 R33 L34 T35 | D27-S31 VanDerWaalsContact O-CB 3.3Å; D27-S31 WeakPolarHBondContact O-CB 3.27Å; D27-S31 PolarHBondContact O-N 3Å; T28-S31 PolarHBondContact O-N 3.44Å; S31-R33 PolarHBondContact O-N 2.93Å; S31-L34 PolarHBondContact O-N 3.49Å; S31-T35 WeakPolarHBondContact O-CG2 3.49Å; S31-T35 PolarHBondContact O-N 2.89Å; S31-T35 PolarHBondContact O-OG1 3.48Å; S31-T35 VanDerWaalsContact O-OG1 3.08Å |
| 32 | L | 96.2 | Very high | 94.4 | Very high | 109 Ų | 109 | 98.4 Ų | 98.4 | 57% | 0.571 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.9 | -38.5 | 177.4 | -171.4 | 62.7 | 0 | 0 | 0 | 112.1 | T28 L29 T30 T35 N36 | T28-L32 WeakPolarHBondContact O-CB 3.4Å; T28-L32 PolarHBondContact O-N 2.98Å; L29-L32 PolarHBondContact O-N 3.08Å; T30-L32 VanDerWaalsContact C-N 3.34Å; T30-L32 PolarHBondContact O-N 2.93Å; L32-T35 WeakPolarHBondContact CA-OG1 3.39Å; L32-T35 PolarHBondContact O-OG1 2.95Å; L32-N36 WeakPolarHBondContact O-CB 3.33Å; L32-N36 PolarHBondContact O-N 3.4Å |
| 33 | R | 96.8 | Very high | 94.8 | Very high | 168 Ų | 168 | 94.4 Ų | 94.4 | 63% | 0.634 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.3 | -42.8 | 174.8 | -78 | 174.3 | 173.5 | 166.3 | -0.5 | 112 | L29 T30 S31 N36 S37 | L29-R33 VanDerWaalsContact CD2-CZ 3.42Å; L29-R33 WeakPolarHBondContact O-CB 3.35Å; L29-R33 VanDerWaalsContact O-CG 3.31Å; L29-R33 WeakPolarHBondContact O-CG 3.31Å; L29-R33 PolarHBondContact O-N 2.86Å; T30-R33 PolarHBondContact O-N 3.43Å; S31-R33 PolarHBondContact O-N 2.93Å; R33-N36 PolarHBondContact O-N 3.27Å; R33-S37 WeakPolarHBondContact O-CB 3.24Å; R33-S37 PolarHBondContact O-N 3.47Å |
| 34 | L | 96.3 | Very high | 95.2 | Very high | 118 Ų | 118 | 93.1 Ų | 93.1 | 62% | 0.618 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.3 | -48.2 | 177.3 | -71.4 | 170.5 | 0 | 0 | 0 | 110.9 | T30 S31 N36 S37 A38 | T30-L34 WeakPolarHBondContact O-CG 3.49Å; T30-L34 PolarHBondContact O-N 2.95Å; S31-L34 PolarHBondContact O-N 3.49Å; L34-N36 PolarHBondContact O-N 3.37Å; L34-S37 PolarHBondContact O-N 3.44Å; L34-S37 PolarHBondContact O-OG 2.95Å; L34-A38 PolarHBondContact O-N 3.44Å |
| 35 | T | 95.5 | Very high | 95.5 | Very high | 74 Ų | 74 | 92.5 Ų | 92.5 | 45% | 0.454 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63 | -41.4 | 177.4 | 53.5 | 0 | 0 | 0 | 0 | 112.3 | S31 L32 S37 A38 L39 | S31-T35 WeakPolarHBondContact O-CG2 3.49Å; S31-T35 PolarHBondContact O-N 2.89Å; S31-T35 PolarHBondContact O-OG1 3.48Å; S31-T35 VanDerWaalsContact O-OG1 3.08Å; L32-T35 WeakPolarHBondContact CA-OG1 3.39Å; L32-T35 PolarHBondContact O-OG1 2.95Å; T35-S37 VanDerWaalsContact C-N 3.3Å; T35-S37 PolarHBondContact O-N 2.92Å; T35-A38 PolarHBondContact O-N 2.68Å; T35-L39 WeakPolarHBondContact O-CB 3.43Å; T35-L39 PolarHBondContact O-N 3.17Å |
| 36 | N | 95.6 | Very high | 95.6 | Very high | 72 Ų | 72 | 94 Ų | 94 | 39% | 0.385 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 174.4 | -132.6 | -82.8 | 0 | 0 | 0 | 111.6 | L32 R33 L34 R40 | L32-N36 WeakPolarHBondContact O-CB 3.33Å; L32-N36 PolarHBondContact O-N 3.4Å; R33-N36 PolarHBondContact O-N 3.27Å; L34-N36 PolarHBondContact O-N 3.37Å; N36-R40 WeakPolarHBondContact O-CB 3.36Å; N36-R40 VanDerWaalsContact O-CG 3.24Å; N36-R40 WeakPolarHBondContact O-CG 3.39Å; N36-R40 PolarHBondContact O-N 2.94Å; N36-R40 PolarHBondContact OD1-NE 3.04Å |
| 37 | S | 96.6 | Very high | 95.8 | Very high | 47 Ų | 47 | 98.6 Ų | 98.6 | 33% | 0.329 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.3 | -38.5 | 177.7 | 79.2 | 0 | 0 | 0 | 0 | 112.3 | R33 L34 T35 R40 R41 | R33-S37 WeakPolarHBondContact O-CB 3.24Å; R33-S37 PolarHBondContact O-N 3.47Å; L34-S37 PolarHBondContact O-N 3.44Å; L34-S37 PolarHBondContact O-OG 2.95Å; T35-S37 VanDerWaalsContact C-N 3.3Å; T35-S37 PolarHBondContact O-N 2.92Å; S37-R40 PolarHBondContact O-N 2.88Å; S37-R41 WeakPolarHBondContact O-CG 3.47Å; S37-R41 PolarHBondContact O-N 3.45Å; S37-R41 VanDerWaalsContact O-N 3.11Å |
| 38 | A | 95.6 | Very high | 95.9 | Very high | 44 Ų | 44 | 96.7 Ų | 96.7 | 36% | 0.364 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.2 | -47.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L34 T35 R40 R41 E42 | L34-A38 PolarHBondContact O-N 3.44Å; T35-A38 PolarHBondContact O-N 2.68Å; A38-R40 VanDerWaalsContact C-N 3.28Å; A38-R40 PolarHBondContact O-N 3.38Å; A38-R41 WeakPolarHBondContact O-CB 3.3Å; A38-R41 PolarHBondContact O-N 3.32Å; A38-E42 PolarHBondContact O-N 3.26Å |
| 39 | L | 95.5 | Very high | 95.8 | Very high | 110 Ų | 110 | 98.2 Ų | 98.2 | 58% | 0.576 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.7 | -37 | 178.1 | -172.1 | 64.7 | 0 | 0 | 0 | 112.1 | T35 E42 A43 | T35-L39 WeakPolarHBondContact O-CB 3.43Å; T35-L39 PolarHBondContact O-N 3.17Å; L39-E42 PolarHBondContact O-N 3.32Å; L39-A43 VanDerWaalsContact O-CB 3.3Å; L39-A43 WeakPolarHBondContact O-CB 3.49Å; L39-A43 PolarHBondContact O-N 3.34Å |
| 40 | R | 96.5 | Very high | 95.6 | Very high | 176 Ų | 176 | 101.5 Ų | 101.5 | 66% | 0.664 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.2 | -39.3 | 173.9 | -74.8 | 173.9 | -171.7 | -155.8 | 0.2 | 112.2 | N36 S37 A38 A43 S44 | N36-R40 WeakPolarHBondContact O-CB 3.36Å; N36-R40 VanDerWaalsContact O-CG 3.24Å; N36-R40 WeakPolarHBondContact O-CG 3.39Å; N36-R40 PolarHBondContact O-N 2.94Å; N36-R40 PolarHBondContact OD1-NE 3.04Å; S37-R40 PolarHBondContact O-N 2.88Å; A38-R40 VanDerWaalsContact C-N 3.28Å; A38-R40 PolarHBondContact O-N 3.38Å; R40-A43 PolarHBondContact O-N 3.02Å; R40-S44 WeakPolarHBondContact O-CB 3.4Å; R40-S44 PolarHBondContact O-N 3.11Å |
| 41 | R | 96.4 | Very high | 95.5 | Very high | 179 Ų | 179 | 100.9 Ų | 100.9 | 68% | 0.675 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.7 | -49.4 | 175.3 | -72 | 174.6 | -179.3 | 176.2 | 1.1 | 110.7 | S37 A38 A43 S44 T45 | S37-R41 WeakPolarHBondContact O-CG 3.47Å; S37-R41 PolarHBondContact O-N 3.45Å; S37-R41 VanDerWaalsContact O-N 3.11Å; A38-R41 WeakPolarHBondContact O-CB 3.3Å; A38-R41 PolarHBondContact O-N 3.32Å; R41-A43 VanDerWaalsContact C-N 3.32Å; R41-A43 PolarHBondContact O-N 2.92Å; R41-S44 WeakPolarHBondContact O-CA 3.46Å; R41-S44 WeakPolarHBondContact O-CB 3.48Å; R41-S44 PolarHBondContact O-N 3.46Å; R41-S44 PolarHBondContact O-OG 2.98Å; R41-T45 PolarHBondContact O-N 3.09Å; R41-T45 PolarHBondContact O-OG1 3.3Å; R41-T45 VanDerWaalsContact O-OG1 3.09Å |
| 42 | E | 94.7 | Very high | 95.6 | Very high | 120 Ų | 120 | 102.2 Ų | 102.2 | 56% | 0.561 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -57.5 | -45.6 | 176.4 | -70.4 | -179.4 | -176.4 | 0 | 0 | 112.1 | A38 L39 S44 T45 L46 | A38-E42 PolarHBondContact O-N 3.26Å; L39-E42 PolarHBondContact O-N 3.32Å; E42-S44 PolarHBondContact O-N 2.62Å; E42-T45 PolarHBondContact O-N 3.32Å; E42-T45 VanDerWaalsContact O-N 3.17Å; E42-L46 PolarHBondContact O-N 2.94Å |
| 43 | A | 93.9 | Very high | 95.6 | Very high | 30 Ų | 30 | 101.6 Ų | 101.6 | 25% | 0.248 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -65.7 | -27.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L39 R40 R41 R47 | L39-A43 VanDerWaalsContact O-CB 3.3Å; L39-A43 WeakPolarHBondContact O-CB 3.49Å; L39-A43 PolarHBondContact O-N 3.34Å; R40-A43 PolarHBondContact O-N 3.02Å; R41-A43 VanDerWaalsContact C-N 3.32Å; R41-A43 PolarHBondContact O-N 2.92Å; A43-R47 VanDerWaalsContact C-NH1 3.33Å; A43-R47 VanDerWaalsContact CB-NH1 3.29Å; A43-R47 WeakPolarHBondContact O-CB 3.23Å; A43-R47 VanDerWaalsContact O-CG 3.23Å; A43-R47 WeakPolarHBondContact O-CG 3.42Å; A43-R47 PolarHBondContact O-N 2.93Å; A43-R47 PolarHBondContact O-NH1 3.29Å |
| 44 | S | 95.4 | Very high | 95.4 | Very high | 65 Ų | 65 | 97 Ų | 97 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -73.8 | -40.9 | 172.6 | 73.8 | 0 | 0 | 0 | 0 | 111.7 | R40 R41 E42 R47 A48 | R40-S44 WeakPolarHBondContact O-CB 3.4Å; R40-S44 PolarHBondContact O-N 3.11Å; R41-S44 WeakPolarHBondContact O-CA 3.46Å; R41-S44 WeakPolarHBondContact O-CB 3.48Å; R41-S44 PolarHBondContact O-N 3.46Å; R41-S44 PolarHBondContact O-OG 2.98Å; E42-S44 PolarHBondContact O-N 2.62Å; S44-R47 PolarHBondContact O-N 3.01Å; S44-A48 PolarHBondContact O-N 3.37Å |
| 45 | T | 96.8 | Very high | 95.4 | Very high | 89 Ų | 89 | 96.1 Ų | 96.1 | 55% | 0.546 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.3 | -48.6 | 176.3 | -53.1 | 0 | 0 | 0 | 0 | 111.2 | R41 E42 R47 A48 E49 | R41-T45 PolarHBondContact O-N 3.09Å; R41-T45 PolarHBondContact O-OG1 3.3Å; R41-T45 VanDerWaalsContact O-OG1 3.09Å; E42-T45 PolarHBondContact O-N 3.32Å; E42-T45 VanDerWaalsContact O-N 3.17Å; T45-R47 VanDerWaalsContact C-N 3.29Å; T45-R47 PolarHBondContact O-N 3.49Å; T45-A48 WeakPolarHBondContact O-CB 3.47Å; T45-A48 PolarHBondContact O-N 3.3Å; T45-A48 VanDerWaalsContact O-N 3.11Å; T45-E49 PolarHBondContact O-N 3.46Å |
| 46 | L | 95.4 | Very high | 95.4 | Very high | 112 Ų | 112 | 97.7 Ų | 97.7 | 59% | 0.586 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.3 | -36.2 | 177.4 | -73.9 | 170.2 | 0 | 0 | 0 | 112.3 | E42 K50 | E42-L46 PolarHBondContact O-N 2.94Å; L46-K50 WeakPolarHBondContact O-CB 3.09Å; L46-K50 PolarHBondContact O-N 3.3Å |
| 47 | R | 96.9 | Very high | 95.3 | Very high | 171 Ų | 171 | 99.3 Ų | 99.3 | 65% | 0.645 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.5 | -40.8 | 173.9 | -79.9 | -177.1 | -169.3 | 91.5 | -5.9 | 111.9 | A43 S44 T45 K50 A51 | A43-R47 VanDerWaalsContact C-NH1 3.33Å; A43-R47 VanDerWaalsContact CB-NH1 3.29Å; A43-R47 WeakPolarHBondContact O-CB 3.23Å; A43-R47 VanDerWaalsContact O-CG 3.23Å; A43-R47 WeakPolarHBondContact O-CG 3.42Å; A43-R47 PolarHBondContact O-N 2.93Å; A43-R47 PolarHBondContact O-NH1 3.29Å; S44-R47 PolarHBondContact O-N 3.01Å; T45-R47 VanDerWaalsContact C-N 3.29Å; T45-R47 PolarHBondContact O-N 3.49Å; R47-K50 PolarHBondContact O-N 3.17Å; R47-A51 WeakPolarHBondContact O-CB 3.48Å; R47-A51 PolarHBondContact O-N 2.93Å |
| 48 | A | 96 | Very high | 95 | Very high | 62 Ų | 62 | 102.8 Ų | 102.8 | 51% | 0.512 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65 | -42.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S44 T45 A51 N52 | S44-A48 PolarHBondContact O-N 3.37Å; T45-A48 WeakPolarHBondContact O-CB 3.47Å; T45-A48 PolarHBondContact O-N 3.3Å; T45-A48 VanDerWaalsContact O-N 3.11Å; A48-A51 PolarHBondContact O-N 2.92Å; A48-N52 WeakPolarHBondContact O-CB 2.94Å; A48-N52 PolarHBondContact O-N 3.24Å |
| 49 | E | 94.1 | Very high | 95 | Very high | 108 Ų | 108 | 104.2 Ų | 104.2 | 51% | 0.505 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.2 | -45.4 | 175.4 | -171.9 | -177 | 173.1 | 0 | 0 | 111.5 | T45 A51 N52 L53 | T45-E49 PolarHBondContact O-N 3.46Å; E49-A51 VanDerWaalsContact C-N 3.32Å; E49-A51 PolarHBondContact O-N 2.89Å; E49-N52 WeakPolarHBondContact O-CB 3.31Å; E49-N52 PolarHBondContact O-N 3.24Å; E49-L53 WeakPolarHBondContact O-CG 3.34Å; E49-L53 PolarHBondContact O-N 3.39Å |
| 50 | K | 92.8 | Very high | 94.9 | Very high | 151 Ų | 151 | 102.6 Ų | 102.6 | 66% | 0.657 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.6 | -44.7 | 173.9 | -178.9 | -179 | 174 | 179.3 | 0 | 111.5 | L46 R47 N52 L53 T54 | L46-K50 WeakPolarHBondContact O-CB 3.09Å; L46-K50 PolarHBondContact O-N 3.3Å; R47-K50 PolarHBondContact O-N 3.17Å; K50-N52 VanDerWaalsContact C-N 3.32Å; K50-N52 PolarHBondContact O-N 3.27Å; K50-L53 PolarHBondContact O-N 2.86Å; K50-T54 WeakPolarHBondContact O-CB 3.19Å; K50-T54 PolarHBondContact O-N 3.43Å; K50-T54 PolarHBondContact O-OG1 3.37Å |
| 51 | A | 94.3 | Very high | 94.5 | Very high | 47 Ų | 47 | 99 Ų | 99 | 39% | 0.388 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | R47 A48 E49 T54 N55 | R47-A51 WeakPolarHBondContact O-CB 3.48Å; R47-A51 PolarHBondContact O-N 2.93Å; A48-A51 PolarHBondContact O-N 2.92Å; E49-A51 VanDerWaalsContact C-N 3.32Å; E49-A51 PolarHBondContact O-N 2.89Å; A51-T54 PolarHBondContact O-N 3.45Å; A51-N55 WeakPolarHBondContact O-CB 3.46Å; A51-N55 PolarHBondContact O-N 3.19Å; A51-N55 PolarHBondContact O-ND2 2.78Å; A51-N55 PolarHBondContact O-OD1 2.85Å |
| 52 | N | 96.2 | Very high | 94.3 | Very high | 95 Ų | 95 | 93.4 Ų | 93.4 | 51% | 0.508 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.6 | -46.9 | 175.9 | -173.6 | 40.8 | 0 | 0 | 0 | 112.3 | A48 E49 K50 T54 N55 M56 | A48-N52 WeakPolarHBondContact O-CB 2.94Å; A48-N52 PolarHBondContact O-N 3.24Å; E49-N52 WeakPolarHBondContact O-CB 3.31Å; E49-N52 PolarHBondContact O-N 3.24Å; K50-N52 VanDerWaalsContact C-N 3.32Å; K50-N52 PolarHBondContact O-N 3.27Å; N52-T54 VanDerWaalsContact C-N 3.3Å; N52-T54 PolarHBondContact O-N 3.29Å; N52-N55 PolarHBondContact O-N 3.34Å; N52-M56 WeakPolarHBondContact O-CB 3.41Å; N52-M56 PolarHBondContact O-N 2.89Å |
| 53 | L | 96.1 | Very high | 94.1 | Very high | 96 Ų | 96 | 92.6 Ų | 92.6 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.7 | -38.3 | 175.4 | -69.7 | 175.2 | 0 | 0 | 0 | 112.2 | E49 K50 M56 L57 | E49-L53 WeakPolarHBondContact O-CG 3.34Å; E49-L53 PolarHBondContact O-N 3.39Å; K50-L53 PolarHBondContact O-N 2.86Å; L53-M56 PolarHBondContact O-N 3.05Å; L53-L57 WeakPolarHBondContact O-CB 3.4Å; L53-L57 PolarHBondContact O-N 2.84Å |
| 54 | T | 93.6 | Very high | 93.6 | Very high | 72 Ų | 72 | 96.6 Ų | 96.6 | 44% | 0.442 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 177.8 | -50.8 | 0 | 0 | 0 | 0 | 110.6 | K50 A51 N52 M56 L57 E58 | K50-T54 WeakPolarHBondContact O-CB 3.19Å; K50-T54 PolarHBondContact O-N 3.43Å; K50-T54 PolarHBondContact O-OG1 3.37Å; A51-T54 PolarHBondContact O-N 3.45Å; N52-T54 VanDerWaalsContact C-N 3.3Å; N52-T54 PolarHBondContact O-N 3.29Å; T54-M56 VanDerWaalsContact C-N 3.33Å; T54-M56 PolarHBondContact O-N 2.83Å; T54-L57 PolarHBondContact O-N 3.4Å; T54-E58 PolarHBondContact O-N 3.11Å |
| 55 | N | 95.4 | Very high | 93.2 | Very high | 98 Ų | 98 | 97.5 Ų | 97.5 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.6 | -38.8 | 176.3 | -65.4 | -15 | 0 | 0 | 0 | 111.8 | A51 N52 E58 S59 | A51-N55 WeakPolarHBondContact O-CB 3.46Å; A51-N55 PolarHBondContact O-N 3.19Å; A51-N55 PolarHBondContact O-ND2 2.78Å; A51-N55 PolarHBondContact O-OD1 2.85Å; N52-N55 PolarHBondContact O-N 3.34Å; N55-E58 PolarHBondContact O-N 2.82Å; N55-S59 WeakPolarHBondContact O-CB 3.32Å; N55-S59 PolarHBondContact O-N 2.79Å |
| 56 | M | 94.9 | Very high | 92.7 | Very high | 107 Ų | 107 | 98.1 Ų | 98.1 | 53% | 0.527 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64 | -43.3 | 175.5 | -172.6 | -174.4 | -62.6 | 0 | 0 | 111.5 | N52 L53 T54 S59 V60 | N52-M56 WeakPolarHBondContact O-CB 3.41Å; N52-M56 PolarHBondContact O-N 2.89Å; L53-M56 PolarHBondContact O-N 3.05Å; T54-M56 VanDerWaalsContact C-N 3.33Å; T54-M56 PolarHBondContact O-N 2.83Å; M56-S59 PolarHBondContact O-N 2.9Å; M56-V60 WeakPolarHBondContact O-CG2 3.26Å; M56-V60 PolarHBondContact O-N 2.9Å |
| 57 | L | 93.5 | Very high | 92.1 | Very high | 106 Ų | 106 | 98 Ų | 98 | 56% | 0.555 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.2 | -44.9 | 175.8 | 179.6 | 61.9 | 0 | 0 | 0 | 111.3 | L53 T54 S59 V60 M61 | L53-L57 WeakPolarHBondContact O-CB 3.4Å; L53-L57 PolarHBondContact O-N 2.84Å; T54-L57 PolarHBondContact O-N 3.4Å; L57-S59 VanDerWaalsContact C-N 3.34Å; L57-S59 PolarHBondContact O-N 3.11Å; L57-V60 PolarHBondContact O-N 3.49Å; L57-M61 HydrophobicContact CD1-CG 4.44Å; L57-M61 HydrophobicContact CG-CE 4.27Å; L57-M61 WeakPolarHBondContact O-CG 3.27Å; L57-M61 PolarHBondContact O-N 3.5Å |
| 58 | E | 92 | Very high | 91.4 | Very high | 121 Ų | 121 | 98.9 Ų | 98.9 | 57% | 0.565 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.8 | -41.5 | 177.1 | -170 | 169.7 | -168 | 0 | 0 | 111.9 | T54 N55 M61 A62 | T54-E58 PolarHBondContact O-N 3.11Å; N55-E58 PolarHBondContact O-N 2.82Å; E58-M61 PolarHBondContact O-N 3.47Å; E58-A62 WeakPolarHBondContact O-CB 3.34Å; E58-A62 PolarHBondContact O-N 2.87Å |
| 59 | S | 93.7 | Very high | 90.4 | Very high | 73 Ų | 73 | 100 Ų | 100 | 51% | 0.51 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 174.5 | 175.2 | 0 | 0 | 0 | 0 | 112.5 | N55 M56 L57 M61 A62 E63 | N55-S59 WeakPolarHBondContact O-CB 3.32Å; N55-S59 PolarHBondContact O-N 2.79Å; M56-S59 PolarHBondContact O-N 2.9Å; L57-S59 VanDerWaalsContact C-N 3.34Å; L57-S59 PolarHBondContact O-N 3.11Å; S59-M61 VanDerWaalsContact C-N 3.34Å; S59-M61 PolarHBondContact O-N 3.35Å; S59-A62 PolarHBondContact O-N 3.28Å; S59-E63 PolarHBondContact O-N 2.93Å |
| 60 | V | 93.9 | Very high | 89.2 | Confident | 77 Ų | 77 | 105.7 Ų | 105.7 | 47% | 0.467 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.4 | -38.5 | 177.3 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | M56 L57 E63 L64 | M56-V60 WeakPolarHBondContact O-CG2 3.26Å; M56-V60 PolarHBondContact O-N 2.9Å; L57-V60 PolarHBondContact O-N 3.49Å; V60-E63 PolarHBondContact O-N 3.18Å; V60-L64 HydrophobicContact CG1-CD1 4.22Å; V60-L64 WeakPolarHBondContact O-CG 3.19Å; V60-L64 PolarHBondContact O-N 3.46Å |
| 61 | M | 89.6 | Confident | 87.8 | Confident | 101 Ų | 101 | 102.5 Ų | 102.5 | 50% | 0.498 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.3 | -39.3 | 174.9 | -72.6 | -168 | -57.8 | 0 | 0 | 112.3 | L57 E58 S59 L64 T65 | L57-M61 HydrophobicContact CD1-CG 4.44Å; L57-M61 HydrophobicContact CG-CE 4.27Å; L57-M61 WeakPolarHBondContact O-CG 3.27Å; L57-M61 PolarHBondContact O-N 3.5Å; E58-M61 PolarHBondContact O-N 3.47Å; S59-M61 VanDerWaalsContact C-N 3.34Å; S59-M61 PolarHBondContact O-N 3.35Å; M61-L64 PolarHBondContact O-N 2.87Å; M61-T65 WeakPolarHBondContact O-CB 3.39Å; M61-T65 PolarHBondContact O-N 2.9Å; M61-T65 PolarHBondContact O-OG1 2.86Å |
| 62 | A | 90.9 | Very high | 86.2 | Confident | 60 Ų | 60 | 109.7 Ų | 109.7 | 50% | 0.496 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.3 | -43.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E58 S59 T65 L66 | E58-A62 WeakPolarHBondContact O-CB 3.34Å; E58-A62 PolarHBondContact O-N 2.87Å; S59-A62 PolarHBondContact O-N 3.28Å; A62-T65 WeakPolarHBondContact O-CB 3.44Å; A62-T65 PolarHBondContact O-N 2.62Å; A62-L66 PolarHBondContact O-N 3.35Å |
| 63 | E | 89.9 | Confident | 84 | Confident | 104 Ų | 104 | 112.5 Ų | 112.5 | 49% | 0.486 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60.4 | -49.6 | 174 | -84.5 | -65 | 164.3 | 0 | 0 | 112 | S59 V60 T65 L66 L67 | S59-E63 PolarHBondContact O-N 2.93Å; V60-E63 PolarHBondContact O-N 3.18Å; E63-T65 PolarHBondContact O-N 2.79Å; E63-L66 PolarHBondContact O-N 2.97Å; E63-L66 VanDerWaalsContact O-N 3.09Å; E63-L67 WeakPolarHBondContact O-CD1 3.31Å; E63-L67 PolarHBondContact O-N 3.4Å |
| 64 | L | 84.3 | Confident | 81.7 | Confident | 114 Ų | 114 | 114.1 Ų | 114.1 | 60% | 0.597 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -59.8 | -35.3 | 176.1 | -72.3 | 175 | 0 | 0 | 0 | 112.3 | V60 M61 R68 | V60-L64 HydrophobicContact CG1-CD1 4.22Å; V60-L64 WeakPolarHBondContact O-CG 3.19Å; V60-L64 PolarHBondContact O-N 3.46Å; M61-L64 PolarHBondContact O-N 2.87Å; L64-R68 VanDerWaalsContact O-CB 3.27Å; L64-R68 WeakPolarHBondContact O-CB 3.25Å; L64-R68 PolarHBondContact O-N 3.41Å |
| 65 | T | 86.1 | Confident | 79.4 | Confident | 84 Ų | 84 | 113.9 Ų | 113.9 | 52% | 0.515 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.9 | -41.1 | 175.8 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | M61 A62 E63 R68 T69 | M61-T65 WeakPolarHBondContact O-CB 3.39Å; M61-T65 PolarHBondContact O-N 2.9Å; M61-T65 PolarHBondContact O-OG1 2.86Å; A62-T65 WeakPolarHBondContact O-CB 3.44Å; A62-T65 PolarHBondContact O-N 2.62Å; E63-T65 PolarHBondContact O-N 2.79Å; T65-R68 PolarHBondContact O-N 3.1Å; T65-T69 WeakPolarHBondContact O-CG2 3.48Å; T65-T69 PolarHBondContact O-N 3.29Å; T65-T69 PolarHBondContact O-OG1 2.97Å |
| 66 | L | 87.1 | Confident | 76.6 | Confident | 102 Ų | 102 | 114.2 Ų | 114.2 | 53% | 0.534 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -65.9 | -43 | 176.3 | -175.1 | 67.5 | 0 | 0 | 0 | 112.2 | A62 E63 R68 T69 R70 | A62-L66 PolarHBondContact O-N 3.35Å; E63-L66 PolarHBondContact O-N 2.97Å; E63-L66 VanDerWaalsContact O-N 3.09Å; L66-R68 VanDerWaalsContact C-N 3.28Å; L66-R68 PolarHBondContact O-N 2.96Å; L66-T69 WeakPolarHBondContact CA-OG1 3.33Å; L66-T69 PolarHBondContact O-N 3.47Å; L66-T69 PolarHBondContact O-OG1 2.91Å; L66-R70 WeakPolarHBondContact O-CB 3.46Å; L66-R70 PolarHBondContact O-N 3.47Å |
| 67 | L | 83.4 | Confident | 74.1 | Confident | 108 Ų | 108 | 116.4 Ų | 116.4 | 57% | 0.565 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -62.6 | -38.2 | 174 | -85.8 | 90.3 | 0 | 0 | 0 | 111.3 | E63 A71 | E63-L67 WeakPolarHBondContact O-CD1 3.31Å; E63-L67 PolarHBondContact O-N 3.4Å; L67-A71 WeakPolarHBondContact O-CB 3.42Å; L67-A71 PolarHBondContact O-N 3.07Å |
| 68 | R | 80.9 | Confident | 71.9 | Confident | 190 Ų | 190 | 119.2 Ų | 119.2 | 72% | 0.717 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -68 | -39.2 | 177.7 | -173 | 179.3 | -176.5 | 91.3 | -0.1 | 112.8 | L64 T65 L66 R72 | L64-R68 VanDerWaalsContact O-CB 3.27Å; L64-R68 WeakPolarHBondContact O-CB 3.25Å; L64-R68 PolarHBondContact O-N 3.41Å; T65-R68 PolarHBondContact O-N 3.1Å; L66-R68 VanDerWaalsContact C-N 3.28Å; L66-R68 PolarHBondContact O-N 2.96Å; R68-R72 PolarHBondContact O-N 3.34Å |
| 69 | T | 75.1 | Confident | 69.1 | Low | 87 Ų | 87 | 121.2 Ų | 121.2 | 53% | 0.534 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -70.9 | -38.6 | 176.6 | 53.4 | 0 | 0 | 0 | 0 | 111.4 | T65 L66 A71 R72 | T65-T69 WeakPolarHBondContact O-CG2 3.48Å; T65-T69 PolarHBondContact O-N 3.29Å; T65-T69 PolarHBondContact O-OG1 2.97Å; L66-T69 WeakPolarHBondContact CA-OG1 3.33Å; L66-T69 PolarHBondContact O-N 3.47Å; L66-T69 PolarHBondContact O-OG1 2.91Å; T69-A71 VanDerWaalsContact C-N 3.3Å; T69-A71 PolarHBondContact O-N 2.97Å; T69-R72 PolarHBondContact O-N 2.93Å; T69-R72 VanDerWaalsContact O-N 3.09Å |
| 70 | R | 70.3 | Confident | 66.6 | Low | 226 Ų | 226 | 123.6 Ų | 123.6 | 85% | 0.853 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -67.8 | -28 | 176.4 | -165.3 | 161.2 | -179.5 | 113.8 | -2.8 | 113.4 | L66 R72 | L66-R70 WeakPolarHBondContact O-CB 3.46Å; L66-R70 PolarHBondContact O-N 3.47Å; R70-R72 VanDerWaalsContact C-N 3.3Å |
| 71 | A | 62.1 | Low | 64.8 | Low | 84 Ų | 84 | 125.5 Ų | 125.5 | 69% | 0.694 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -6.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114 | L67 T69 | L67-A71 WeakPolarHBondContact O-CB 3.42Å; L67-A71 PolarHBondContact O-N 3.07Å; T69-A71 VanDerWaalsContact C-N 3.3Å; T69-A71 PolarHBondContact O-N 2.97Å |
| 72 | R | 61 | Low | 62.9 | Low | 199 Ų | 199 | 126.4 Ų | 126.4 | 75% | 0.751 | 70% | 0.697 | S | S | * | * | trans | -97.7 | 103.9 | -179.7 | -162 | 169.4 | -168.1 | 159.7 | 2.1 | 110 | R68 T69 R70 P74 | R68-R72 PolarHBondContact O-N 3.34Å; T69-R72 PolarHBondContact O-N 2.93Å; T69-R72 VanDerWaalsContact O-N 3.09Å; R70-R72 VanDerWaalsContact C-N 3.3Å; R72-P74 WeakPolarHBondContact O-CD 3.48Å | ||
| 73 | I | 49.6 | Very low | 61.1 | Low | 153 Ų | 153 | 131.1 Ų | 131.1 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | trans | -62.8 | 122.3 | 171.6 | -55.1 | 171 | 0 | 0 | 0 | 108.6 | G75 | I73-G75 PolarHBondContact O-N 3.27Š| ||
| 74 | P | 49.4 | Very low | 58.9 | Low | 130 Ų | 130 | 131.4 Ų | 131.4 | 84% | 0.844 | 73% | 0.726 | S | S | * | * | trans | -86.5 | 104.2 | 169.1 | 17.2 | -2.5 | 0 | 0 | 0 | 108.8 | R72 | R72-P74 WeakPolarHBondContact O-CD 3.48Š| ||
| 75 | G | 44.3 | Very low | 56.7 | Low | 67 Ų | 67 | 130.3 Ų | 130.3 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | trans | 159.1 | 96.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114 | I73 | I73-G75 PolarHBondContact O-N 3.27Š| ||
| 76 | A | 37.5 | Very low | 55 | Low | 105 Ų | 105 | 134.4 Ų | 134.4 | 87% | 0.868 | 75% | 0.75 | S | S | * | * | trans | -173.6 | 105.4 | 134.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 77 | L | 41 | Very low | 52.7 | Low | 153 Ų | 153 | 135.9 Ų | 135.9 | 80% | 0.801 | 76% | 0.763 | S | S | * | * | trans | -62.7 | 140.1 | 164.9 | -87.8 | 166.7 | 0 | 0 | 0 | 110.7 | ||||
| 78 | Q | 47.2 | Very low | 51.1 | Low | 166 Ų | 166 | 136 Ų | 136 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | 65.7 | 133.9 | 155 | -43.4 | -80.2 | 16.8 | 0 | 0 | 114.8 | ||||
| 79 | I | 34.8 | Very low | 49.5 | Very low | 162 Ų | 162 | 134.6 Ų | 134.6 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | -177.6 | 133.7 | 71.4 | -72.6 | 156.7 | 0 | 0 | 0 | 106.6 | |||||
| 80 | T | 39.6 | Very low | 47.8 | Very low | 124 Ų | 124 | 134 Ų | 134 | 76% | 0.761 | 79% | 0.792 | S | S | * | * | trans | -87.3 | 167.3 | 155.5 | 44.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 81 | P | 57.1 | Low | 46.6 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | cis | -124.8 | -154.1 | -37 | 39 | -18.5 | 0 | 0 | 0 | 109 | ||||
| 82 | P | 49.6 | Very low | 45.7 | Very low | 120 Ų | 120 | 134.9 Ų | 134.9 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | cis | -131 | -179.1 | -2.6 | 41.4 | -20.8 | 0 | 0 | 0 | 116.8 | ||||
| 83 | I | 52.3 | Low | 45 | Very low | 159 Ų | 159 | 130.9 Ų | 130.9 | 82% | 0.815 | 79% | 0.792 | S | S | * | * | trans | -40.1 | 126.8 | -178.7 | -56.1 | 156.7 | 0 | 0 | 0 | 115.6 | ||||
| 84 | S | 45 | Very low | 44.6 | Very low | 111 Ų | 111 | 132.5 Ų | 132.5 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | 165.6 | 150.7 | 121.2 | -76.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 85 | A | 36.5 | Very low | 44.3 | Very low | 90 Ų | 90 | 130.4 Ų | 130.4 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | trans | 81.3 | 93.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | T87 | A85-T87 PolarHBondContact O-N 3.21Š| ||
| 86 | I | 50.8 | Low | 44.6 | Very low | 170 Ų | 170 | 130.9 Ų | 130.9 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | 11.8 | 102 | 129 | -48.5 | 165.9 | 0 | 0 | 0 | 114.2 | |||||
| 87 | T | 39.9 | Very low | 45.3 | Very low | 134 Ų | 134 | 129.9 Ų | 129.9 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | -147.1 | 127.3 | 133.8 | 40.8 | 0 | 0 | 0 | 0 | 108.2 | A85 N89 | A85-T87 PolarHBondContact O-N 3.21Å; T87-N89 PolarHBondContact O-N 3.37Å | ||
| 88 | S | 48.1 | Very low | 45.9 | Very low | 109 Ų | 109 | 128 Ų | 128 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | trans | -46.4 | 130.5 | 169.5 | -167.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 89 | N | 48.2 | Very low | 46.7 | Very low | 161 Ų | 161 | 121.4 Ų | 121.4 | 86% | 0.861 | 73% | 0.726 | S | S | * | * | trans | 179.7 | 69.6 | 151.1 | -84.6 | -12.5 | 0 | 0 | 0 | 109.1 | T87 | T87-N89 PolarHBondContact O-N 3.37Š| ||
| 90 | G | 39.3 | Very low | 48.7 | Very low | 76 Ų | 76 | 118.5 Ų | 118.5 | 78% | 0.784 | 72% | 0.72 | S | S | * | * | trans | -86.4 | 107.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | R92 | G90-R92 PolarHBondContact O-N 3.35Š| ||
| 91 | T | 44.5 | Very low | 51 | Low | 139 Ų | 139 | 116.9 Ų | 116.9 | 85% | 0.853 | 71% | 0.706 | S | S | * | * | trans | -45.3 | 111.9 | 170.8 | -42.7 | 0 | 0 | 0 | 0 | 110.2 | P93 | T91-P93 VanDerWaalsContact O-CD 3.28Å; T91-P93 WeakPolarHBondContact O-CD 3.38Å | ||
| 92 | R | 44.3 | Very low | 52.7 | Low | 188 Ų | 188 | 111.5 Ų | 111.5 | 71% | 0.709 | 67% | 0.671 | S | S | * | * | trans | -64.3 | 116.6 | -178.9 | -171.6 | 179.2 | -167.4 | -169.6 | 1.9 | 109.5 | G90 T95 | G90-R92 PolarHBondContact O-N 3.35Å; R92-T95 VanDerWaalsContact NE-CG2 3.32Å; R92-T95 VanDerWaalsContact NH1-CG2 3.26Å | ||
| 93 | P | 45.5 | Very low | 54.7 | Low | 115 Ų | 115 | 112 Ų | 112 | 75% | 0.747 | 66% | 0.663 | S | S | * | * | trans | -68.2 | 138.2 | 168.1 | -7.2 | 23 | 0 | 0 | 0 | 108.8 | T91 T95 | T91-P93 VanDerWaalsContact O-CD 3.28Å; T91-P93 WeakPolarHBondContact O-CD 3.38Å; P93-T95 PolarHBondContact O-N 3.17Å | ||
| 94 | M | 40.8 | Very low | 56.7 | Low | 188 Ų | 188 | 107.9 Ų | 107.9 | 93% | 0.926 | 65% | 0.647 | S | S | * | * | trans | 0.6 | 110.1 | 171.5 | -103.7 | -179.4 | 163.4 | 0 | 0 | 115.7 | T96 | M94-T96 PolarHBondContact O-N 2.94Š| ||
| 95 | T | 43.3 | Very low | 59.1 | Low | 85 Ų | 85 | 102.6 Ų | 102.6 | 52% | 0.521 | 61% | 0.61 | S | S | . | * | trans | -62.2 | 95.5 | 171.6 | 42.5 | 0 | 0 | 0 | 0 | 111 | R92 P93 | R92-T95 VanDerWaalsContact NE-CG2 3.32Å; R92-T95 VanDerWaalsContact NH1-CG2 3.26Å; P93-T95 PolarHBondContact O-N 3.17Å | ||
| 96 | T | 51.1 | Low | 61.8 | Low | 77 Ų | 77 | 100.8 Ų | 100.8 | 47% | 0.472 | 59% | 0.592 | S | S | . | * | trans | -51.8 | 130 | 142.8 | 52.7 | 0 | 0 | 0 | 0 | 106.4 | M94 | M94-T96 PolarHBondContact O-N 2.94Š| ||
| 97 | P | 51.7 | Low | 63.7 | Low | 84 Ų | 84 | 93.2 Ų | 93.2 | 55% | 0.545 | 56% | 0.555 | S | S | . | * | trans | -50.6 | 136.4 | 173.1 | 19.4 | -29.1 | 0 | 0 | 0 | 107.9 | T99 | P97-T99 VanDerWaalsContact C-N 3.33Å; P97-T99 PolarHBondContact O-N 3.2Å | ||
| 98 | P | 54.5 | Low | 66.1 | Low | 115 Ų | 115 | 90.3 Ų | 90.3 | 75% | 0.747 | 54% | 0.535 | S | S | * | . | trans | -60.7 | 101.5 | -178.9 | 23 | -30.1 | 0 | 0 | 0 | 107.6 | S100 | P98-S100 VanDerWaalsContact C-N 3.31Å; P98-S100 PolarHBondContact O-N 3.41Å | ||
| 99 | T | 63.9 | Low | 68 | Low | 26 Ų | 26 | 86.9 Ų | 86.9 | 16% | 0.16 | 51% | 0.51 | C | S | . | . | trans | -60.7 | 105.5 | 160.9 | 23.6 | 0 | 0 | 0 | 0 | 105.2 | P97 L101 R121 F125 | P97-T99 VanDerWaalsContact C-N 3.33Å; P97-T99 PolarHBondContact O-N 3.2Å; T99-L101 PolarHBondContact O-N 3.49Å; T99-R121 HydrophobicContact CG2-CG 4.21Å; T99-F125 HydrophobicContact CG2-CB 3.65Å; T99-F125 HydrophobicContact CG2-CD2 3.22Å; T99-F125 HydrophobicContact CG2-CE2 3.99Å; T99-F125 HydrophobicContact CG2-CG 3.58Å | ||
| 100 | S | 77.9 | Confident | 69.9 | Low | 101 Ų | 101 | 82.4 Ų | 82.4 | 71% | 0.706 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -48.6 | 135.6 | 170.7 | 51.7 | 0 | 0 | 0 | 0 | 108.2 | P98 | P98-S100 VanDerWaalsContact C-N 3.31Å; P98-S100 PolarHBondContact O-N 3.41Å |
| 101 | L | 87.4 | Confident | 72.3 | Confident | 90 Ų | 90 | 83.3 Ų | 83.3 | 47% | 0.471 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 133.5 | 175.9 | -170.8 | 67.3 | 0 | 0 | 0 | 108.3 | T99 F122 F139 | T99-L101 PolarHBondContact O-N 3.49Å; L101-F122 HydrophobicContact CD1-CE2 4.16Å; L101-F122 HydrophobicContact CD1-CZ 4.17Å; L101-F139 HydrophobicContact CD1-CE2 3.74Å; L101-F139 HydrophobicContact CD1-CZ 3.65Å |
| 102 | P | 91.4 | Very high | 74.7 | Confident | 4 Ų | 4 | 77 Ų | 77 | 3% | 0.026 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 143.4 | 179.9 | -30.7 | 41.1 | 0 | 0 | 0 | 111.8 | Q118 M119 F122 | P102-Q118 HydrophobicContact CB-CB 3.84Å; P102-Q118 HydrophobicContact CG-CB 4.23Å; P102-M119 HydrophobicContact CB-CE 3.03Å; P102-M119 HydrophobicContact CG-CE 3.24Å; P102-F122 HydrophobicContact CG-CB 3.71Å; P102-F122 HydrophobicContact CG-CD2 4.2Å; P102-F122 HydrophobicContact CG-CG 4Å |
| 103 | E | 92.4 | Very high | 77 | Confident | 130 Ų | 130 | 71.7 Ų | 71.7 | 61% | 0.607 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 143.5 | 179.7 | -69.3 | -174.2 | 159.8 | 0 | 0 | 110.6 | F115 | E103-F115 WeakPolarHBondContact O-CD2 2.97Š|
| 104 | P | 94.6 | Very high | 79.1 | Confident | 72 Ų | 72 | 67.8 Ų | 67.8 | 47% | 0.468 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 139 | 179 | -18.1 | 30.4 | 0 | 0 | 0 | 112.3 | R143 T145 | P104-R143 CarbonylContact C-O 3.55Å; P104-R143 WeakPolarHBondContact CA-O 3.43Å; P104-T145 HydrophobicContact CB-CG2 3.6Å |
| 105 | F | 95.4 | Very high | 81.7 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 0% | 0.004 | 38% | 0.381 | C | S | . | . | B | Isolated β-bridge | trans | -102.9 | 116.8 | 178.6 | 178.4 | -110.6 | 0 | 0 | 0 | 111.4 | G107 D108 Q111 L112 F115 R143 L144 T145 A148 L173 Y177 | F105-G107 VanDerWaalsContact CE1-CA 3.49Å; F105-G107 VanDerWaalsContact CZ-CA 3.46Å; F105-D108 WeakPolarHBondContact CE2-O 3.45Å; F105-Q111 HydrophobicContact CD2-CB 4.32Å; F105-Q111 HydrophobicContact CE2-CB 4.36Å; F105-L112 HydrophobicContact CE1-CD1 4.16Å; F105-L112 HydrophobicContact CE2-CB 4.03Å; F105-L112 HydrophobicContact CE2-CD1 4.15Å; F105-L112 HydrophobicContact CZ-CB 4.18Å; F105-L112 HydrophobicContact CZ-CD1 3.76Å; F105-F115 HydrophobicContact CB-CB 4.31Å; F105-F115 HydrophobicContact CB-CD1 3.92Å; F105-F115 HydrophobicContact CB-CD2 3.58Å; F105-F115 HydrophobicContact CB-CE1 4.08Å; F105-F115 HydrophobicContact CB-CE2 3.73Å; F105-F115 HydrophobicContact CB-CG 3.65Å; F105-F115 HydrophobicContact CB-CZ 3.99Å; F105-F115 HydrophobicContact CD1-CD1 4.47Å; F105-F115 HydrophobicContact CD2-CB 4.13Å; F105-F115 HydrophobicContact CD2-CD1 4.44Å; F105-F115 HydrophobicContact CD2-CG 4.25Å; F105-F115 HydrophobicContact CG-CB 4.45Å; F105-F115 HydrophobicContact CG-CD1 4.05Å; F105-F115 HydrophobicContact CG-CD2 4.47Å; F105-F115 HydrophobicContact CG-CE1 4.43Å; F105-F115 HydrophobicContact CG-CG 4.06Å; F105-R143 PolarHBondContact N-O 2.94Å; F105-L144 HydrophobicContact CB-CD2 4.19Å; F105-L144 HydrophobicContact CD1-CD2 3.88Å; F105-L144 WeakPolarHBondContact O-CA 3.43Å; F105-T145 PolarHBondContact O-N 3.45Å; F105-A148 HydrophobicContact CD1-CB 3.75Å; F105-A148 HydrophobicContact CE1-CB 4.01Å; F105-A148 WeakPolarHBondContact O-CB 3.47Å; F105-L173 HydrophobicContact CD1-CD1 4.47Å; F105-L173 HydrophobicContact CE1-CD1 4.17Å; F105-Y177 HydrophobicContact CE1-CD1 4.08Å; F105-Y177 AromaticContact CE1-CD2 3.92Å; F105-Y177 HydrophobicContact CE1-CD2 3.92Å; F105-Y177 HydrophobicContact CE1-CE1 4.36Å; F105-Y177 HydrophobicContact CE1-CE2 4.23Å; F105-Y177 AromaticContact CE1-CG 3.86Å; F105-Y177 HydrophobicContact CE1-CG 3.86Å; F105-Y177 AromaticContact CZ-CD1 3.96Å; F105-Y177 HydrophobicContact CZ-CD1 3.96Å; F105-Y177 HydrophobicContact CZ-CD2 4.35Å; F105-Y177 AromaticContact CZ-CG 3.84Å; F105-Y177 HydrophobicContact CZ-CG 3.84Å |
| 106 | S | 93.1 | Very high | 84.2 | Confident | 52 Ų | 52 | 56.3 Ų | 56.3 | 36% | 0.364 | 36% | 0.362 | S | S | . | . | trans | -84.6 | -14.3 | -177.5 | 63.1 | 0 | 0 | 0 | 0 | 114.2 | T145 E147 A148 | S106-T145 CarbonylContact C-O 3.47Å; S106-T145 WeakPolarHBondContact CA-O 3.38Å; S106-T145 WeakPolarHBondContact CA-OG1 3.44Å; S106-E147 PolarHBondContact O-N 3.48Å; S106-A148 PolarHBondContact O-N 3.01Å | ||
| 107 | G | 91.1 | Very high | 86.3 | Confident | 10 Ų | 10 | 57.7 Ų | 57.7 | 10% | 0.103 | 36% | 0.364 | C | S | . | . | S | Bend | trans | 108.9 | 8.6 | -171 | 0 | 0 | 0 | 0 | 0 | 115 | F105 P109 Y177 | F105-G107 VanDerWaalsContact CE1-CA 3.49Å; F105-G107 VanDerWaalsContact CZ-CA 3.46Å; G107-P109 VanDerWaalsContact O-CD 3.31Å; G107-P109 WeakPolarHBondContact O-CD 3.42Å; G107-Y177 WeakPolarHBondContact O-CD1 3.49Å; G107-Y177 WeakPolarHBondContact O-CE1 3.25Å |
| 108 | D | 89.3 | Confident | 88.3 | Confident | 73 Ų | 73 | 56.2 Ų | 56.2 | 39% | 0.39 | 35% | 0.351 | S | S | . | . | trans | -72.9 | 117.1 | 174.8 | 177.5 | 12.9 | 0 | 0 | 0 | 111.6 | F105 G110 Q111 L112 | F105-D108 WeakPolarHBondContact CE2-O 3.45Å; D108-G110 PolarHBondContact O-N 3.44Å; D108-G110 VanDerWaalsContact O-N 3.09Å; D108-G110 PolarHBondContact OD1-N 2.91Å; D108-Q111 HydrophobicContact CB-CB 4.38Å; D108-Q111 HydrophobicContact CB-CG 4.24Å; D108-Q111 PolarHBondContact O-N 3.46Å; D108-L112 PolarHBondContact O-N 3.38Å | ||
| 109 | P | 89.3 | Confident | 90.2 | Very high | 38 Ų | 38 | 50.8 Ų | 50.8 | 25% | 0.247 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -32.4 | 175.7 | -29 | 38.3 | 0 | 0 | 0 | 114.7 | G107 Q111 L112 Y177 H183 | G107-P109 VanDerWaalsContact O-CD 3.31Å; G107-P109 WeakPolarHBondContact O-CD 3.42Å; P109-Q111 VanDerWaalsContact C-N 3.29Å; P109-Q111 PolarHBondContact O-N 2.88Å; P109-L112 PolarHBondContact O-N 3.28Å; P109-Y177 VanDerWaalsContact CB-O 3.23Å; P109-Y177 WeakPolarHBondContact CB-O 3.45Å; P109-Y177 WeakPolarHBondContact CG-O 3.46Å; P109-H183 HydrophobicContact CG-CB 4.42Å |
| 110 | G | 88.1 | Confident | 91.6 | Very high | 66 Ų | 66 | 54.1 Ų | 54.1 | 68% | 0.68 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -29 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D108 | D108-G110 PolarHBondContact O-N 3.44Å; D108-G110 VanDerWaalsContact O-N 3.09Å; D108-G110 PolarHBondContact OD1-N 2.91Å |
| 111 | Q | 90.1 | Very high | 92.3 | Very high | 95 Ų | 95 | 55.7 Ų | 55.7 | 44% | 0.444 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -13.3 | -179.1 | -66.2 | -175.9 | -22.1 | 0 | 0 | 113.5 | F105 D108 P109 A113 G114 F115 | F105-Q111 HydrophobicContact CD2-CB 4.32Å; F105-Q111 HydrophobicContact CE2-CB 4.36Å; D108-Q111 HydrophobicContact CB-CB 4.38Å; D108-Q111 HydrophobicContact CB-CG 4.24Å; D108-Q111 PolarHBondContact O-N 3.46Å; P109-Q111 VanDerWaalsContact C-N 3.29Å; P109-Q111 PolarHBondContact O-N 2.88Å; Q111-A113 VanDerWaalsContact C-N 3.33Å; Q111-A113 PolarHBondContact O-N 3Å; Q111-G114 PolarHBondContact O-N 3.25Å; Q111-F115 WeakPolarHBondContact O-CB 3.47Å; Q111-F115 PolarHBondContact O-N 2.88Å |
| 112 | L | 93.3 | Very high | 92.5 | Very high | 7 Ų | 7 | 52.4 Ų | 52.4 | 4% | 0.037 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58 | -42.8 | -171.4 | -178.8 | 64.9 | 0 | 0 | 0 | 112.9 | F105 D108 P109 L116 L173 K178 | F105-L112 HydrophobicContact CE1-CD1 4.16Å; F105-L112 HydrophobicContact CE2-CB 4.03Å; F105-L112 HydrophobicContact CE2-CD1 4.15Å; F105-L112 HydrophobicContact CZ-CB 4.18Å; F105-L112 HydrophobicContact CZ-CD1 3.76Å; D108-L112 PolarHBondContact O-N 3.38Å; P109-L112 PolarHBondContact O-N 3.28Å; L112-L116 HydrophobicContact CD1-CD1 4.04Å; L112-L116 HydrophobicContact CD1-CG 4.16Å; L112-L116 HydrophobicContact CG-CD1 3.93Å; L112-L116 HydrophobicContact CG-CG 4.43Å; L112-L116 WeakPolarHBondContact O-CB 3.28Å; L112-L116 WeakPolarHBondContact O-CG 3.48Å; L112-L116 PolarHBondContact O-N 2.98Å; L112-L173 HydrophobicContact CD1-CD2 4.23Å; L112-L173 HydrophobicContact CD1-CG 4.17Å; L112-K178 HydrophobicContact CD2-CB 4.1Å |
| 113 | A | 92.3 | Very high | 92.5 | Very high | 77 Ų | 77 | 53 Ų | 53 | 64% | 0.636 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64.6 | -45.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q111 L116 M117 | Q111-A113 VanDerWaalsContact C-N 3.33Å; Q111-A113 PolarHBondContact O-N 3Å; A113-L116 PolarHBondContact O-N 3.28Å; A113-M117 PolarHBondContact O-N 3.48Å; A113-M117 VanDerWaalsContact O-N 3.08Å |
| 114 | G | 91.5 | Very high | 92.3 | Very high | 33 Ų | 33 | 52.1 Ų | 52.1 | 34% | 0.34 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.7 | -45.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q111 L116 M117 Q118 | Q111-G114 PolarHBondContact O-N 3.25Å; G114-L116 PolarHBondContact O-N 3.06Å; G114-M117 PolarHBondContact O-N 2.97Å; G114-Q118 WeakPolarHBondContact O-CG 3.47Å; G114-Q118 PolarHBondContact O-N 2.9Å |
| 115 | F | 95.3 | Very high | 91.9 | Very high | 8 Ų | 8 | 53.2 Ų | 53.2 | 4% | 0.035 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56.9 | -48.9 | 175.6 | 173.2 | -108.3 | 0 | 0 | 0 | 112.3 | E103 F105 Q111 M117 Q118 M119 L140 R143 L144 L173 | E103-F115 WeakPolarHBondContact O-CD2 2.97Å; F105-F115 HydrophobicContact CB-CB 4.31Å; F105-F115 HydrophobicContact CB-CD1 3.92Å; F105-F115 HydrophobicContact CB-CD2 3.58Å; F105-F115 HydrophobicContact CB-CE1 4.08Å; F105-F115 HydrophobicContact CB-CE2 3.73Å; F105-F115 HydrophobicContact CB-CG 3.65Å; F105-F115 HydrophobicContact CB-CZ 3.99Å; F105-F115 HydrophobicContact CD1-CD1 4.47Å; F105-F115 HydrophobicContact CD2-CB 4.13Å; F105-F115 HydrophobicContact CD2-CD1 4.44Å; F105-F115 HydrophobicContact CD2-CG 4.25Å; F105-F115 HydrophobicContact CG-CB 4.45Å; F105-F115 HydrophobicContact CG-CD1 4.05Å; F105-F115 HydrophobicContact CG-CD2 4.47Å; F105-F115 HydrophobicContact CG-CE1 4.43Å; F105-F115 HydrophobicContact CG-CG 4.06Å; Q111-F115 WeakPolarHBondContact O-CB 3.47Å; Q111-F115 PolarHBondContact O-N 2.88Å; F115-M117 VanDerWaalsContact C-N 3.34Å; F115-M117 PolarHBondContact O-N 2.79Å; F115-Q118 PolarHBondContact O-N 2.94Å; F115-M119 HydrophobicContact CD1-CG 4.25Å; F115-M119 HydrophobicContact CD2-CE 4.45Å; F115-M119 HydrophobicContact CD2-CG 4.41Å; F115-M119 HydrophobicContact CE1-CG 3.79Å; F115-M119 HydrophobicContact CE1-SD 4.5Å; F115-M119 HydrophobicContact CE2-CE 3.72Å; F115-M119 HydrophobicContact CE2-CG 3.99Å; F115-M119 HydrophobicContact CE2-SD 4.19Å; F115-M119 HydrophobicContact CZ-CE 4.01Å; F115-M119 HydrophobicContact CZ-CG 3.65Å; F115-M119 HydrophobicContact CZ-SD 3.86Å; F115-M119 WeakPolarHBondContact O-CG 3.35Å; F115-M119 PolarHBondContact O-N 2.89Å; F115-L140 HydrophobicContact CZ-CG 4.45Å; F115-R143 HydrophobicContact CE2-CB 3.81Å; F115-R143 HydrophobicContact CZ-CB 4.14Å; F115-L144 HydrophobicContact CE1-CD2 4.19Å; F115-L144 HydrophobicContact CZ-CD2 4Å; F115-L173 HydrophobicContact CD1-CD2 4.3Å; F115-L173 HydrophobicContact CE1-CD2 3.86Å |
| 116 | L | 95.3 | Very high | 91.5 | Very high | 24 Ų | 24 | 54.9 Ų | 54.9 | 13% | 0.126 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.4 | -38.8 | -180 | -72 | 173.1 | 0 | 0 | 0 | 112.6 | L112 A113 G114 M119 D120 L170 L173 R174 | L112-L116 HydrophobicContact CD1-CD1 4.04Å; L112-L116 HydrophobicContact CD1-CG 4.16Å; L112-L116 HydrophobicContact CG-CD1 3.93Å; L112-L116 HydrophobicContact CG-CG 4.43Å; L112-L116 WeakPolarHBondContact O-CB 3.28Å; L112-L116 WeakPolarHBondContact O-CG 3.48Å; L112-L116 PolarHBondContact O-N 2.98Å; A113-L116 PolarHBondContact O-N 3.28Å; G114-L116 PolarHBondContact O-N 3.06Å; L116-M119 WeakPolarHBondContact O-CB 3.45Å; L116-M119 PolarHBondContact O-N 2.81Å; L116-D120 WeakPolarHBondContact O-CB 3.41Å; L116-D120 PolarHBondContact O-N 3.46Å; L116-L170 HydrophobicContact CD2-CD2 3.59Å; L116-L173 HydrophobicContact CD2-CD2 4.06Å; L116-R174 HydrophobicContact CD1-CG 3.66Å |
| 117 | M | 94.5 | Very high | 91.1 | Very high | 105 Ų | 105 | 54.8 Ų | 54.8 | 52% | 0.517 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 174.7 | -178.8 | -165.5 | 68.7 | 0 | 0 | 111.4 | A113 G114 F115 D120 R121 | A113-M117 PolarHBondContact O-N 3.48Å; A113-M117 VanDerWaalsContact O-N 3.08Å; G114-M117 PolarHBondContact O-N 2.97Å; F115-M117 VanDerWaalsContact C-N 3.34Å; F115-M117 PolarHBondContact O-N 2.79Å; M117-D120 PolarHBondContact O-N 3.31Å; M117-R121 WeakPolarHBondContact O-CB 3.26Å; M117-R121 PolarHBondContact O-N 3.24Å |
| 118 | Q | 94.4 | Very high | 90.9 | Very high | 54 Ų | 54 | 59.5 Ų | 59.5 | 25% | 0.252 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.3 | -40.3 | 177.2 | -68.7 | 175.1 | 4.4 | 0 | 0 | 111.8 | P102 G114 F115 F122 | P102-Q118 HydrophobicContact CB-CB 3.84Å; P102-Q118 HydrophobicContact CG-CB 4.23Å; G114-Q118 WeakPolarHBondContact O-CG 3.47Å; G114-Q118 PolarHBondContact O-N 2.9Å; F115-Q118 PolarHBondContact O-N 2.94Å; Q118-F122 WeakPolarHBondContact O-CB 3.18Å; Q118-F122 PolarHBondContact O-N 3.35Å |
| 119 | M | 94.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -55.9 | -53.3 | 172.5 | -77.3 | -66.5 | 101.2 | 0 | 0 | 111.5 | P102 F115 L116 R121 F122 M123 F139 L140 R143 | P102-M119 HydrophobicContact CB-CE 3.03Å; P102-M119 HydrophobicContact CG-CE 3.24Å; F115-M119 HydrophobicContact CD1-CG 4.25Å; F115-M119 HydrophobicContact CD2-CE 4.45Å; F115-M119 HydrophobicContact CD2-CG 4.41Å; F115-M119 HydrophobicContact CE1-CG 3.79Å; F115-M119 HydrophobicContact CE1-SD 4.5Å; F115-M119 HydrophobicContact CE2-CE 3.72Å; F115-M119 HydrophobicContact CE2-CG 3.99Å; F115-M119 HydrophobicContact CE2-SD 4.19Å; F115-M119 HydrophobicContact CZ-CE 4.01Å; F115-M119 HydrophobicContact CZ-CG 3.65Å; F115-M119 HydrophobicContact CZ-SD 3.86Å; F115-M119 WeakPolarHBondContact O-CG 3.35Å; F115-M119 PolarHBondContact O-N 2.89Å; L116-M119 WeakPolarHBondContact O-CB 3.45Å; L116-M119 PolarHBondContact O-N 2.81Å; M119-R121 PolarHBondContact O-N 3.11Å; M119-F122 PolarHBondContact O-N 2.96Å; M119-M123 VanDerWaalsContact O-CG 3.31Å; M119-M123 WeakPolarHBondContact O-CG 3.26Å; M119-M123 PolarHBondContact O-N 3.34Å; M119-F139 HydrophobicContact CE-CE1 3.99Å; M119-F139 HydrophobicContact SD-CD1 4.48Å; M119-F139 HydrophobicContact SD-CE1 4.27Å; M119-L140 HydrophobicContact SD-CB 4.17Å; M119-L140 HydrophobicContact SD-CD1 4.35Å; M119-L140 HydrophobicContact SD-CG 4.08Å; M119-R143 HydrophobicContact CE-CB 4.02Å; M119-R143 HydrophobicContact CE-CG 3.68Å |
| 120 | D | 93.2 | Very high | 90.6 | Very high | 97 Ų | 97 | 64.1 Ų | 64.1 | 52% | 0.519 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.3 | -47.5 | -177.4 | -171.9 | 49.2 | 0 | 0 | 0 | 111.4 | L116 M117 F122 M123 I124 | L116-D120 WeakPolarHBondContact O-CB 3.41Å; L116-D120 PolarHBondContact O-N 3.46Å; M117-D120 PolarHBondContact O-N 3.31Å; D120-F122 VanDerWaalsContact C-N 3.34Å; D120-F122 PolarHBondContact O-N 3.1Å; D120-M123 PolarHBondContact O-N 3.42Å; D120-I124 WeakPolarHBondContact O-CG1 3.28Å; D120-I124 PolarHBondContact O-N 3.07Å |
| 121 | R | 91 | Very high | 90.4 | Very high | 133 Ų | 133 | 66 Ų | 66 | 50% | 0.502 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -54.1 | -51.2 | 173.9 | -173.9 | -177.5 | -62.7 | -153.9 | 1.6 | 111.3 | T99 M117 M119 M123 I124 F125 | T99-R121 HydrophobicContact CG2-CG 4.21Å; M117-R121 WeakPolarHBondContact O-CB 3.26Å; M117-R121 PolarHBondContact O-N 3.24Å; M119-R121 PolarHBondContact O-N 3.11Å; R121-M123 VanDerWaalsContact C-N 3.32Å; R121-M123 PolarHBondContact O-N 3.4Å; R121-I124 PolarHBondContact O-N 2.03Å; R121-F125 HydrophobicContact CG-CD2 3.63Å; R121-F125 HydrophobicContact CG-CE2 3.56Å; R121-F125 WeakPolarHBondContact O-CD2 3.45Å; R121-F125 PolarHBondContact O-N 2.94Å |
| 122 | F | 91.5 | Very high | 90.5 | Very high | 21 Ų | 21 | 62.6 Ų | 62.6 | 9% | 0.092 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.3 | -41.4 | -179 | -171.7 | -91.9 | 0 | 0 | 0 | 111.9 | L101 P102 Q118 M119 D120 I124 F125 Q126 F130 F139 | L101-F122 HydrophobicContact CD1-CE2 4.16Å; L101-F122 HydrophobicContact CD1-CZ 4.17Å; P102-F122 HydrophobicContact CG-CB 3.71Å; P102-F122 HydrophobicContact CG-CD2 4.2Å; P102-F122 HydrophobicContact CG-CG 4Å; Q118-F122 WeakPolarHBondContact O-CB 3.18Å; Q118-F122 PolarHBondContact O-N 3.35Å; M119-F122 PolarHBondContact O-N 2.96Å; D120-F122 VanDerWaalsContact C-N 3.34Å; D120-F122 PolarHBondContact O-N 3.1Å; F122-I124 PolarHBondContact O-N 3Å; F122-F125 PolarHBondContact O-N 2.92Å; F122-Q126 HydrophobicContact CD1-CB 4.37Å; F122-Q126 HydrophobicContact CD1-CG 4.29Å; F122-Q126 HydrophobicContact CD2-CG 4.29Å; F122-Q126 HydrophobicContact CE1-CB 4.15Å; F122-Q126 HydrophobicContact CE1-CG 3.98Å; F122-Q126 HydrophobicContact CE2-CG 3.98Å; F122-Q126 HydrophobicContact CG-CG 4.45Å; F122-Q126 HydrophobicContact CZ-CB 4.45Å; F122-Q126 HydrophobicContact CZ-CG 3.82Å; F122-Q126 VanDerWaalsContact O-CB 3.28Å; F122-Q126 WeakPolarHBondContact O-CB 3.37Å; F122-Q126 PolarHBondContact O-N 2.96Å; F122-F130 HydrophobicContact CD1-CE2 4.21Å; F122-F130 AromaticContact CE1-CE2 3.55Å; F122-F130 HydrophobicContact CE1-CE2 3.55Å; F122-F130 AromaticContact CE1-CZ 3.83Å; F122-F130 HydrophobicContact CE1-CZ 3.83Å; F122-F130 HydrophobicContact CZ-CE2 4.49Å; F122-F139 HydrophobicContact CD1-CD1 4.27Å; F122-F139 AromaticContact CD1-CE1 3.4Å; F122-F139 HydrophobicContact CD1-CE1 3.4Å; F122-F139 VanDerWaalsContact CD1-CE1 3.4Å; F122-F139 HydrophobicContact CD1-CE2 4.37Å; F122-F139 AromaticContact CD1-CZ 3.46Å; F122-F139 HydrophobicContact CD1-CZ 3.46Å; F122-F139 VanDerWaalsContact CD1-CZ 3.46Å; F122-F139 HydrophobicContact CE1-CD1 4.28Å; F122-F139 HydrophobicContact CE1-CD2 4.36Å; F122-F139 AromaticContact CE1-CE1 3.52Å; F122-F139 HydrophobicContact CE1-CE1 3.52Å; F122-F139 AromaticContact CE1-CE2 3.63Å; F122-F139 HydrophobicContact CE1-CE2 3.63Å; F122-F139 AromaticContact CE1-CZ 3.13Å; F122-F139 HydrophobicContact CE1-CZ 3.13Å; F122-F139 HydrophobicContact CE2-CZ 4.34Å; F122-F139 HydrophobicContact CG-CE1 4.21Å; F122-F139 HydrophobicContact CG-CZ 4.18Å; F122-F139 HydrophobicContact CZ-CE1 4.42Å; F122-F139 AromaticContact CZ-CE2 3.98Å; F122-F139 HydrophobicContact CZ-CE2 3.98Å; F122-F139 AromaticContact CZ-CZ 3.64Å; F122-F139 HydrophobicContact CZ-CZ 3.64Å |
| 123 | M | 91.4 | Very high | 90.6 | Very high | 17 Ų | 17 | 66.5 Ų | 66.5 | 8% | 0.084 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 177.4 | -69.2 | -60.7 | 175.7 | 0 | 0 | 112.5 | M119 D120 R121 A127 F130 R136 F139 Y166 | M119-M123 VanDerWaalsContact O-CG 3.31Å; M119-M123 WeakPolarHBondContact O-CG 3.26Å; M119-M123 PolarHBondContact O-N 3.34Å; D120-M123 PolarHBondContact O-N 3.42Å; R121-M123 VanDerWaalsContact C-N 3.32Å; R121-M123 PolarHBondContact O-N 3.4Å; M123-A127 VanDerWaalsContact O-CA 3.24Å; M123-A127 WeakPolarHBondContact O-CA 3.41Å; M123-A127 WeakPolarHBondContact O-CB 2.97Å; M123-A127 PolarHBondContact O-N 3.23Å; M123-F130 HydrophobicContact SD-CB 4.41Å; M123-F130 HydrophobicContact SD-CD2 4.05Å; M123-F130 HydrophobicContact SD-CG 4.22Å; M123-R136 HydrophobicContact CE-CB 3.91Å; M123-R136 HydrophobicContact CE-CG 4.21Å; M123-R136 HydrophobicContact SD-CB 4.26Å; M123-R136 HydrophobicContact SD-CG 3.9Å; M123-F139 HydrophobicContact CE-CB 4.37Å; M123-F139 HydrophobicContact CE-CD1 3.53Å; M123-F139 HydrophobicContact CE-CE1 4.29Å; M123-F139 HydrophobicContact CE-CG 4.33Å; M123-Y166 HydrophobicContact CE-CE2 3.91Å; M123-Y166 HydrophobicContact CG-CE1 4.42Å |
| 124 | I | 89.6 | Confident | 90.6 | Very high | 112 Ų | 112 | 64.1 Ų | 64.1 | 57% | 0.574 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.1 | -49 | 175.9 | -68 | 164.2 | 0 | 0 | 0 | 110.5 | D120 R121 F122 | D120-I124 WeakPolarHBondContact O-CG1 3.28Å; D120-I124 PolarHBondContact O-N 3.07Å; R121-I124 PolarHBondContact O-N 2.03Å; F122-I124 PolarHBondContact O-N 3Å |
| 125 | F | 86.5 | Confident | 90.7 | Very high | 94 Ų | 94 | 67 Ų | 67 | 41% | 0.412 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -74 | -26 | -177.1 | -76.9 | -70.5 | 0 | 0 | 0 | 113.8 | T99 R121 F122 | T99-F125 HydrophobicContact CG2-CB 3.65Å; T99-F125 HydrophobicContact CG2-CD2 3.22Å; T99-F125 HydrophobicContact CG2-CE2 3.99Å; T99-F125 HydrophobicContact CG2-CG 3.58Å; R121-F125 HydrophobicContact CG-CD2 3.63Å; R121-F125 HydrophobicContact CG-CE2 3.56Å; R121-F125 WeakPolarHBondContact O-CD2 3.45Å; R121-F125 PolarHBondContact O-N 2.94Å; F122-F125 PolarHBondContact O-N 2.92Å |
| 126 | Q | 87.1 | Confident | 90.7 | Very high | 36 Ų | 36 | 70.1 Ų | 70.1 | 17% | 0.168 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | 24.3 | -178.6 | -59.8 | -67.6 | -35.7 | 0 | 0 | 112.4 | F122 S128 R129 F130 | F122-Q126 HydrophobicContact CD1-CB 4.37Å; F122-Q126 HydrophobicContact CD1-CG 4.29Å; F122-Q126 HydrophobicContact CD2-CG 4.29Å; F122-Q126 HydrophobicContact CE1-CB 4.15Å; F122-Q126 HydrophobicContact CE1-CG 3.98Å; F122-Q126 HydrophobicContact CE2-CG 3.98Å; F122-Q126 HydrophobicContact CG-CG 4.45Å; F122-Q126 HydrophobicContact CZ-CB 4.45Å; F122-Q126 HydrophobicContact CZ-CG 3.82Å; F122-Q126 VanDerWaalsContact O-CB 3.28Å; F122-Q126 WeakPolarHBondContact O-CB 3.37Å; F122-Q126 PolarHBondContact O-N 2.96Å; Q126-S128 PolarHBondContact O-N 3.41Å; Q126-R129 HydrophobicContact CB-CB 4.46Å; Q126-R129 WeakPolarHBondContact O-CB 3.46Å; Q126-R129 PolarHBondContact O-N 3.46Å; Q126-F130 HydrophobicContact CB-CD2 4.17Å; Q126-F130 HydrophobicContact CB-CE2 3.86Å; Q126-F130 WeakPolarHBondContact O-CD2 3.15Å |
| 127 | A | 84.4 | Confident | 90.8 | Very high | 51 Ų | 51 | 69 Ų | 69 | 42% | 0.421 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -52.8 | -37.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | M123 R129 F130 | M123-A127 VanDerWaalsContact O-CA 3.24Å; M123-A127 WeakPolarHBondContact O-CA 3.41Å; M123-A127 WeakPolarHBondContact O-CB 2.97Å; M123-A127 PolarHBondContact O-N 3.23Å; A127-R129 PolarHBondContact O-N 3.27Å; A127-F130 CarbonylContact O-C 3.5Å; A127-F130 PolarHBondContact O-N 3.43Å |
| 128 | S | 86.2 | Confident | 90.8 | Very high | 109 Ų | 109 | 66.2 Ų | 66.2 | 76% | 0.762 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -67 | -19.3 | 178.1 | 64.6 | 0 | 0 | 0 | 0 | 114.3 | Q126 | Q126-S128 PolarHBondContact O-N 3.41Š|
| 129 | R | 85.6 | Confident | 90.8 | Very high | 179 Ų | 179 | 64.9 Ų | 64.9 | 68% | 0.675 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -86.6 | -17 | 177.3 | -72.8 | -76.3 | 163.1 | 79.1 | -2.6 | 113 | Q126 A127 P131 | Q126-R129 HydrophobicContact CB-CB 4.46Å; Q126-R129 WeakPolarHBondContact O-CB 3.46Å; Q126-R129 PolarHBondContact O-N 3.46Å; A127-R129 PolarHBondContact O-N 3.27Å; R129-P131 VanDerWaalsContact C-CD 3.43Å; R129-P131 WeakPolarHBondContact O-CD 3.2Å |
| 130 | F | 86.6 | Confident | 90.9 | Very high | 28 Ų | 28 | 64.9 Ų | 64.9 | 12% | 0.123 | 34% | 0.34 | C | S | . | . | trans | -128.8 | 66.7 | -177.5 | -52.3 | -80.8 | 0 | 0 | 0 | 110.8 | F122 M123 Q126 A127 G132 E135 R136 F139 | F122-F130 HydrophobicContact CD1-CE2 4.21Å; F122-F130 AromaticContact CE1-CE2 3.55Å; F122-F130 HydrophobicContact CE1-CE2 3.55Å; F122-F130 AromaticContact CE1-CZ 3.83Å; F122-F130 HydrophobicContact CE1-CZ 3.83Å; F122-F130 HydrophobicContact CZ-CE2 4.49Å; M123-F130 HydrophobicContact SD-CB 4.41Å; M123-F130 HydrophobicContact SD-CD2 4.05Å; M123-F130 HydrophobicContact SD-CG 4.22Å; Q126-F130 HydrophobicContact CB-CD2 4.17Å; Q126-F130 HydrophobicContact CB-CE2 3.86Å; Q126-F130 WeakPolarHBondContact O-CD2 3.15Å; A127-F130 CarbonylContact O-C 3.5Å; A127-F130 PolarHBondContact O-N 3.43Å; F130-G132 VanDerWaalsContact C-N 3.33Å; F130-E135 HydrophobicContact CD1-CB 4.09Å; F130-R136 HydrophobicContact CB-CG 3.56Å; F130-R136 HydrophobicContact CG-CG 4.39Å; F130-R136 PolarHBondContact O-NE 3.4Å; F130-R136 PolarHBondContact O-NH2 3.5Å; F130-F139 HydrophobicContact CD1-CB 4.26Å; F130-F139 HydrophobicContact CE1-CB 3.65Å; F130-F139 HydrophobicContact CE1-CD2 4.02Å; F130-F139 AromaticContact CE1-CG 3.86Å; F130-F139 HydrophobicContact CE1-CG 3.86Å; F130-F139 HydrophobicContact CZ-CB 4.2Å; F130-F139 HydrophobicContact CZ-CD1 4.48Å; F130-F139 AromaticContact CZ-CD2 3.8Å; F130-F139 HydrophobicContact CZ-CD2 3.8Å; F130-F139 HydrophobicContact CZ-CE2 4.31Å; F130-F139 AromaticContact CZ-CG 3.88Å; F130-F139 HydrophobicContact CZ-CG 3.88Å | ||
| 131 | P | 84.2 | Confident | 91 | Very high | 106 Ų | 106 | 61.6 Ų | 61.6 | 69% | 0.688 | 32% | 0.323 | S | S | * | . | trans | -67.8 | -33.1 | -179.4 | 27.5 | -33.9 | 0 | 0 | 0 | 112.4 | R129 | R129-P131 VanDerWaalsContact C-CD 3.43Å; R129-P131 WeakPolarHBondContact O-CD 3.2Å | ||
| 132 | G | 92.1 | Very high | 91.2 | Very high | 24 Ų | 24 | 58 Ų | 58 | 25% | 0.247 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -100.8 | 156.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F130 A134 E135 R136 | F130-G132 VanDerWaalsContact C-N 3.33Å; G132-A134 VanDerWaalsContact C-N 3.34Å; G132-E135 WeakPolarHBondContact CA-OE2 3.42Å; G132-E135 PolarHBondContact N-OE2 3.43Å; G132-E135 VanDerWaalsContact O-OE2 3.1Å; G132-R136 WeakPolarHBondContact O-CG 3.23Å; G132-R136 PolarHBondContact O-N 3.01Å |
| 133 | E | 94.6 | Very high | 91.5 | Very high | 88 Ų | 88 | 59.8 Ų | 59.8 | 41% | 0.411 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -70.7 | -32.3 | -179.5 | -60.7 | -156.3 | 142.5 | 0 | 0 | 112.3 | E135 R136 V137 N164 N165 | E133-E135 PolarHBondContact O-N 3.09Å; E133-R136 PolarHBondContact O-N 3.07Å; E133-V137 WeakPolarHBondContact O-CG2 3.31Å; E133-V137 PolarHBondContact O-N 3.42Å; E133-N164 VanDerWaalsContact CB-O 3.29Å; E133-N164 WeakPolarHBondContact CB-O 3.36Å; E133-N165 WeakPolarHBondContact OE2-CA 3.09Å |
| 134 | A | 93.4 | Very high | 91.7 | Very high | 28 Ų | 28 | 59.1 Ų | 59.1 | 23% | 0.231 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | G132 R136 V137 A138 N164 | G132-A134 VanDerWaalsContact C-N 3.34Å; A134-R136 VanDerWaalsContact C-N 3.34Å; A134-V137 PolarHBondContact O-N 2.89Å; A134-A138 WeakPolarHBondContact O-CB 3.48Å; A134-A138 PolarHBondContact O-N 2.99Å; A134-N164 VanDerWaalsContact CB-OD1 3.29Å; A134-N164 WeakPolarHBondContact CB-OD1 3.29Å |
| 135 | E | 93.6 | Very high | 91.9 | Very high | 94 Ų | 94 | 56.4 Ų | 56.4 | 44% | 0.439 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.5 | -37.4 | 177 | -62.7 | 80.7 | -177.7 | 0 | 0 | 111.3 | F130 G132 E133 A138 F139 | F130-E135 HydrophobicContact CD1-CB 4.09Å; G132-E135 WeakPolarHBondContact CA-OE2 3.42Å; G132-E135 PolarHBondContact N-OE2 3.43Å; G132-E135 VanDerWaalsContact O-OE2 3.1Å; E133-E135 PolarHBondContact O-N 3.09Å; E135-A138 PolarHBondContact O-N 3.22Å; E135-F139 WeakPolarHBondContact O-CB 3.33Å; E135-F139 PolarHBondContact O-N 2.66Å |
| 136 | R | 95.4 | Very high | 92.2 | Very high | 72 Ų | 72 | 53.8 Ų | 53.8 | 27% | 0.272 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 175.6 | -64.1 | 175.3 | -172.4 | -175.7 | 0.8 | 111.7 | M123 F130 G132 E133 A134 L140 Y166 | M123-R136 HydrophobicContact CE-CB 3.91Å; M123-R136 HydrophobicContact CE-CG 4.21Å; M123-R136 HydrophobicContact SD-CB 4.26Å; M123-R136 HydrophobicContact SD-CG 3.9Å; F130-R136 HydrophobicContact CB-CG 3.56Å; F130-R136 HydrophobicContact CG-CG 4.39Å; F130-R136 PolarHBondContact O-NE 3.4Å; F130-R136 PolarHBondContact O-NH2 3.5Å; G132-R136 WeakPolarHBondContact O-CG 3.23Å; G132-R136 PolarHBondContact O-N 3.01Å; E133-R136 PolarHBondContact O-N 3.07Å; A134-R136 VanDerWaalsContact C-N 3.34Å; R136-L140 WeakPolarHBondContact O-CB 3.5Å; R136-L140 PolarHBondContact O-N 2.83Å; R136-Y166 HydrophobicContact CB-CD1 4.46Å; R136-Y166 HydrophobicContact CB-CD2 3.46Å; R136-Y166 VanDerWaalsContact CB-CD2 3.46Å; R136-Y166 HydrophobicContact CB-CE2 3.95Å; R136-Y166 HydrophobicContact CB-CG 3.75Å |
| 137 | V | 96.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.2 | -48.4 | 175.5 | 173 | 0 | 0 | 0 | 0 | 110.3 | E133 A134 F139 L140 V141 M156 R163 Y166 F169 | E133-V137 WeakPolarHBondContact O-CG2 3.31Å; E133-V137 PolarHBondContact O-N 3.42Å; A134-V137 PolarHBondContact O-N 2.89Å; V137-F139 VanDerWaalsContact C-N 3.3Å; V137-F139 PolarHBondContact O-N 2.9Å; V137-L140 PolarHBondContact O-N 3.4Å; V137-V141 HydrophobicContact CG1-CG2 4.42Å; V137-V141 WeakPolarHBondContact O-CG2 3.47Å; V137-V141 PolarHBondContact O-N 3.46Å; V137-M156 HydrophobicContact CG1-CE 4.27Å; V137-M156 HydrophobicContact CG1-SD 3.64Å; V137-R163 WeakPolarHBondContact CB-O 3.4Å; V137-Y166 HydrophobicContact CG2-CD2 4.26Å; V137-F169 HydrophobicContact CG1-CD2 3.64Å; V137-F169 HydrophobicContact CG1-CE2 3.99Å; V137-F169 HydrophobicContact CG1-CG 4.17Å; V137-F169 HydrophobicContact CG2-CB 4.2Å |
| 138 | A | 94.4 | Very high | 92.8 | Very high | 48 Ų | 48 | 53 Ų | 53 | 40% | 0.397 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.7 | -42.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | A134 E135 V141 S142 | A134-A138 WeakPolarHBondContact O-CB 3.48Å; A134-A138 PolarHBondContact O-N 2.99Å; E135-A138 PolarHBondContact O-N 3.22Å; A138-V141 PolarHBondContact O-N 3.28Å; A138-S142 PolarHBondContact O-N 3.34Å |
| 139 | F | 95.3 | Very high | 93.1 | Very high | 26 Ų | 26 | 52.8 Ų | 52.8 | 11% | 0.114 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.3 | -46.9 | 175.3 | 176.9 | -97.9 | 0 | 0 | 0 | 112.2 | L101 M119 F122 M123 F130 E135 V137 V141 S142 R143 | L101-F139 HydrophobicContact CD1-CE2 3.74Å; L101-F139 HydrophobicContact CD1-CZ 3.65Å; M119-F139 HydrophobicContact CE-CE1 3.99Å; M119-F139 HydrophobicContact SD-CD1 4.48Å; M119-F139 HydrophobicContact SD-CE1 4.27Å; F122-F139 HydrophobicContact CD1-CD1 4.27Å; F122-F139 AromaticContact CD1-CE1 3.4Å; F122-F139 HydrophobicContact CD1-CE1 3.4Å; F122-F139 VanDerWaalsContact CD1-CE1 3.4Å; F122-F139 HydrophobicContact CD1-CE2 4.37Å; F122-F139 AromaticContact CD1-CZ 3.46Å; F122-F139 HydrophobicContact CD1-CZ 3.46Å; F122-F139 VanDerWaalsContact CD1-CZ 3.46Å; F122-F139 HydrophobicContact CE1-CD1 4.28Å; F122-F139 HydrophobicContact CE1-CD2 4.36Å; F122-F139 AromaticContact CE1-CE1 3.52Å; F122-F139 HydrophobicContact CE1-CE1 3.52Å; F122-F139 AromaticContact CE1-CE2 3.63Å; F122-F139 HydrophobicContact CE1-CE2 3.63Å; F122-F139 AromaticContact CE1-CZ 3.13Å; F122-F139 HydrophobicContact CE1-CZ 3.13Å; F122-F139 HydrophobicContact CE2-CZ 4.34Å; F122-F139 HydrophobicContact CG-CE1 4.21Å; F122-F139 HydrophobicContact CG-CZ 4.18Å; F122-F139 HydrophobicContact CZ-CE1 4.42Å; F122-F139 AromaticContact CZ-CE2 3.98Å; F122-F139 HydrophobicContact CZ-CE2 3.98Å; F122-F139 AromaticContact CZ-CZ 3.64Å; F122-F139 HydrophobicContact CZ-CZ 3.64Å; M123-F139 HydrophobicContact CE-CB 4.37Å; M123-F139 HydrophobicContact CE-CD1 3.53Å; M123-F139 HydrophobicContact CE-CE1 4.29Å; M123-F139 HydrophobicContact CE-CG 4.33Å; F130-F139 HydrophobicContact CD1-CB 4.26Å; F130-F139 HydrophobicContact CE1-CB 3.65Å; F130-F139 HydrophobicContact CE1-CD2 4.02Å; F130-F139 AromaticContact CE1-CG 3.86Å; F130-F139 HydrophobicContact CE1-CG 3.86Å; F130-F139 HydrophobicContact CZ-CB 4.2Å; F130-F139 HydrophobicContact CZ-CD1 4.48Å; F130-F139 AromaticContact CZ-CD2 3.8Å; F130-F139 HydrophobicContact CZ-CD2 3.8Å; F130-F139 HydrophobicContact CZ-CE2 4.31Å; F130-F139 AromaticContact CZ-CG 3.88Å; F130-F139 HydrophobicContact CZ-CG 3.88Å; E135-F139 WeakPolarHBondContact O-CB 3.33Å; E135-F139 PolarHBondContact O-N 2.66Å; V137-F139 VanDerWaalsContact C-N 3.3Å; V137-F139 PolarHBondContact O-N 2.9Å; F139-V141 VanDerWaalsContact C-N 3.3Å; F139-V141 PolarHBondContact O-N 2.94Å; F139-S142 WeakPolarHBondContact O-CB 3.49Å; F139-S142 PolarHBondContact O-N 2.94Å; F139-S142 VanDerWaalsContact O-N 3.1Å; F139-S142 PolarHBondContact O-OG 3.43Å; F139-R143 HydrophobicContact CE1-CG 4.18Å; F139-R143 HydrophobicContact CZ-CG 4.16Å; F139-R143 PolarHBondContact O-N 3.38Å |
| 140 | L | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.7 | -45.6 | 177 | 179.3 | 154.3 | 0 | 0 | 0 | 111.1 | F115 M119 R136 V137 S142 R143 L144 Y166 F169 L170 | F115-L140 HydrophobicContact CZ-CG 4.45Å; M119-L140 HydrophobicContact SD-CB 4.17Å; M119-L140 HydrophobicContact SD-CD1 4.35Å; M119-L140 HydrophobicContact SD-CG 4.08Å; R136-L140 WeakPolarHBondContact O-CB 3.5Å; R136-L140 PolarHBondContact O-N 2.83Å; V137-L140 PolarHBondContact O-N 3.4Å; L140-S142 VanDerWaalsContact C-N 3.28Å; L140-S142 PolarHBondContact O-N 3.41Å; L140-R143 WeakPolarHBondContact O-CA 3.41Å; L140-R143 WeakPolarHBondContact O-CB 3.42Å; L140-R143 PolarHBondContact O-N 3.23Å; L140-L144 HydrophobicContact CD2-CD1 4.16Å; L140-L144 HydrophobicContact CD2-CD2 4.28Å; L140-L144 HydrophobicContact CD2-CG 4.31Å; L140-L144 PolarHBondContact O-N 3.01Å; L140-Y166 HydrophobicContact CB-CE2 4.19Å; L140-Y166 HydrophobicContact CD1-CE2 3.77Å; L140-F169 HydrophobicContact CD1-CD1 4.47Å; L140-F169 HydrophobicContact CD2-CD1 3.64Å; L140-F169 HydrophobicContact CD2-CE1 3.38Å; L140-F169 HydrophobicContact CD2-CZ 4.37Å; L140-L170 HydrophobicContact CD1-CD2 3.37Å; L140-L170 HydrophobicContact CD1-CG 4.19Å |
| 141 | V | 96.1 | Very high | 93.9 | Very high | 28 Ų | 28 | 52.4 Ų | 52.4 | 17% | 0.17 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.2 | -37.1 | 177.1 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | V137 A138 F139 R143 L144 A152 M156 F169 | V137-V141 HydrophobicContact CG1-CG2 4.42Å; V137-V141 WeakPolarHBondContact O-CG2 3.47Å; V137-V141 PolarHBondContact O-N 3.46Å; A138-V141 PolarHBondContact O-N 3.28Å; F139-V141 VanDerWaalsContact C-N 3.3Å; F139-V141 PolarHBondContact O-N 2.94Å; V141-R143 PolarHBondContact O-N 3.45Å; V141-R143 VanDerWaalsContact O-N 3.1Å; V141-L144 HydrophobicContact CG2-CD1 4.35Å; V141-L144 WeakPolarHBondContact O-CB 3.48Å; V141-L144 PolarHBondContact O-N 3.37Å; V141-A152 HydrophobicContact CG1-CB 4.13Å; V141-A152 HydrophobicContact CG2-CB 4.1Å; V141-M156 HydrophobicContact CG1-CG 4.31Å; V141-M156 HydrophobicContact CG2-CG 4.1Å; V141-M156 HydrophobicContact CG2-SD 3.73Å; V141-F169 HydrophobicContact CG2-CE1 4.18Å; V141-F169 HydrophobicContact CG2-CE2 4.04Å; V141-F169 HydrophobicContact CG2-CZ 3.57Å |
| 142 | S | 95.3 | Very high | 94.4 | Very high | 57 Ų | 57 | 47.3 Ų | 47.3 | 40% | 0.399 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.6 | -16.8 | 174.4 | 86.2 | 0 | 0 | 0 | 0 | 114.2 | A138 F139 L140 | A138-S142 PolarHBondContact O-N 3.34Å; F139-S142 WeakPolarHBondContact O-CB 3.49Å; F139-S142 PolarHBondContact O-N 2.94Å; F139-S142 VanDerWaalsContact O-N 3.1Å; F139-S142 PolarHBondContact O-OG 3.43Å; L140-S142 VanDerWaalsContact C-N 3.28Å; L140-S142 PolarHBondContact O-N 3.41Å |
| 143 | R | 96.4 | Very high | 94.5 | Very high | 58 Ų | 58 | 50.9 Ų | 50.9 | 22% | 0.219 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 1.5 | 175.6 | -57.4 | -59.9 | 99.6 | -157.2 | 1.5 | 112.4 | P104 F105 F115 M119 F139 L140 V141 | P104-R143 CarbonylContact C-O 3.55Å; P104-R143 WeakPolarHBondContact CA-O 3.43Å; F105-R143 PolarHBondContact N-O 2.94Å; F115-R143 HydrophobicContact CE2-CB 3.81Å; F115-R143 HydrophobicContact CZ-CB 4.14Å; M119-R143 HydrophobicContact CE-CB 4.02Å; M119-R143 HydrophobicContact CE-CG 3.68Å; F139-R143 HydrophobicContact CE1-CG 4.18Å; F139-R143 HydrophobicContact CZ-CG 4.16Å; F139-R143 PolarHBondContact O-N 3.38Å; L140-R143 WeakPolarHBondContact O-CA 3.41Å; L140-R143 WeakPolarHBondContact O-CB 3.42Å; L140-R143 PolarHBondContact O-N 3.23Å; V141-R143 PolarHBondContact O-N 3.45Å; V141-R143 VanDerWaalsContact O-N 3.1Å |
| 144 | L | 96.4 | Very high | 94.5 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -87.8 | 145 | 171.9 | -54.2 | -180 | 0 | 0 | 0 | 109.5 | F105 F115 L140 V141 A148 E149 W151 A152 F169 L173 | F105-L144 HydrophobicContact CB-CD2 4.19Å; F105-L144 HydrophobicContact CD1-CD2 3.88Å; F105-L144 WeakPolarHBondContact O-CA 3.43Å; F115-L144 HydrophobicContact CE1-CD2 4.19Å; F115-L144 HydrophobicContact CZ-CD2 4Å; L140-L144 HydrophobicContact CD2-CD1 4.16Å; L140-L144 HydrophobicContact CD2-CD2 4.28Å; L140-L144 HydrophobicContact CD2-CG 4.31Å; L140-L144 PolarHBondContact O-N 3.01Å; V141-L144 HydrophobicContact CG2-CD1 4.35Å; V141-L144 WeakPolarHBondContact O-CB 3.48Å; V141-L144 PolarHBondContact O-N 3.37Å; L144-A148 HydrophobicContact CB-CB 4.15Å; L144-A148 HydrophobicContact CD2-CB 4.19Å; L144-E149 HydrophobicContact CB-CB 4.27Å; L144-W151 HydrophobicContact CD1-CZ3 4.48Å; L144-A152 HydrophobicContact CD1-CB 3.63Å; L144-F169 HydrophobicContact CD1-CE1 4.46Å; L144-L173 HydrophobicContact CD2-CD1 4.41Å |
| 145 | T | 93.8 | Very high | 94.6 | Very high | 54 Ų | 54 | 50.8 Ų | 50.8 | 33% | 0.331 | 27% | 0.267 | S | S | . | . | trans | -135.7 | 165 | 174.8 | 57.1 | 0 | 0 | 0 | 0 | 110.4 | P104 F105 S106 E147 A148 E149 | P104-T145 HydrophobicContact CB-CG2 3.6Å; F105-T145 PolarHBondContact O-N 3.45Å; S106-T145 CarbonylContact C-O 3.47Å; S106-T145 WeakPolarHBondContact CA-O 3.38Å; S106-T145 WeakPolarHBondContact CA-OG1 3.44Å; T145-E147 PolarHBondContact O-N 3.24Å; T145-A148 PolarHBondContact O-N 2.99Å; T145-A148 VanDerWaalsContact O-N 3.17Å; T145-E149 PolarHBondContact O-N 3.49Å | ||
| 146 | G | 92.6 | Very high | 94.6 | Very high | 40 Ų | 40 | 48.6 Ų | 48.6 | 41% | 0.412 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | 61.7 | -119.2 | 168 | 0 | 0 | 0 | 0 | 0 | 113.8 | K150 | G146-K150 WeakPolarHBondContact O-CG 3.44Å; G146-K150 PolarHBondContact O-N 3.33Å |
| 147 | E | 89.6 | Confident | 94.5 | Very high | 71 Ų | 71 | 49.6 Ų | 49.6 | 33% | 0.332 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -74.1 | -36 | -179.3 | -175 | 171.9 | 169.1 | 0 | 0 | 111.8 | S106 T145 K150 W151 R190 | S106-E147 PolarHBondContact O-N 3.48Å; T145-E147 PolarHBondContact O-N 3.24Å; E147-K150 PolarHBondContact O-N 2.88Å; E147-W151 WeakPolarHBondContact O-CB 3.43Å; E147-W151 PolarHBondContact O-N 3.22Å; E147-R190 VanDerWaalsContact CD-NH1 3.28Å; E147-R190 IonicContact OE1-CZ 3.34Å; E147-R190 IonicContact OE1-NH1 2.94Å; E147-R190 PolarHBondContact OE1-NH1 3.31Å; E147-R190 IonicContact OE1-NH2 3.64Å; E147-R190 PolarHBondContact OE1-NH2 3.34Å; E147-R190 IonicContact OE2-CZ 3.4Å; E147-R190 IonicContact OE2-NH1 2.73Å; E147-R190 PolarHBondContact OE2-NH1 3.01Å; E147-R190 IonicContact OE2-NH2 3.07Å; E147-R190 PolarHBondContact OE2-NH2 2.87Å |
| 148 | A | 93.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.6 | -37.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | F105 S106 L144 T145 W151 A152 Y177 | F105-A148 HydrophobicContact CD1-CB 3.75Å; F105-A148 HydrophobicContact CE1-CB 4.01Å; F105-A148 WeakPolarHBondContact O-CB 3.47Å; S106-A148 PolarHBondContact O-N 3.01Å; L144-A148 HydrophobicContact CB-CB 4.15Å; L144-A148 HydrophobicContact CD2-CB 4.19Å; T145-A148 PolarHBondContact O-N 2.99Å; T145-A148 VanDerWaalsContact O-N 3.17Å; A148-W151 PolarHBondContact O-N 3.48Å; A148-A152 PolarHBondContact O-N 3.03Å; A148-A152 VanDerWaalsContact O-N 3.12Å; A148-Y177 VanDerWaalsContact CA-OH 3.27Å; A148-Y177 WeakPolarHBondContact CA-OH 3.48Å; A148-Y177 HydrophobicContact CB-CE2 4.47Å |
| 149 | E | 94.5 | Very high | 94.1 | Very high | 103 Ų | 103 | 59.4 Ų | 59.4 | 48% | 0.481 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.1 | -47.4 | 175.1 | -174.4 | -178.8 | -176.9 | 0 | 0 | 111.3 | L144 T145 W151 A152 I153 | L144-E149 HydrophobicContact CB-CB 4.27Å; T145-E149 PolarHBondContact O-N 3.49Å; E149-W151 VanDerWaalsContact C-N 3.27Å; E149-W151 PolarHBondContact O-N 3.19Å; E149-A152 WeakPolarHBondContact O-CB 3.45Å; E149-A152 PolarHBondContact O-N 2.98Å; E149-I153 PolarHBondContact O-N 3.23Å |
| 150 | K | 93 | Very high | 94.1 | Very high | 155 Ų | 155 | 58.9 Ų | 58.9 | 67% | 0.674 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -60 | -38.1 | 176.9 | -68.7 | 174 | -174.2 | -179.9 | 0 | 112.4 | G146 E147 A152 | G146-K150 WeakPolarHBondContact O-CG 3.44Å; G146-K150 PolarHBondContact O-N 3.33Å; E147-K150 PolarHBondContact O-N 2.88Å; K150-A152 VanDerWaalsContact C-N 3.3Å; K150-A152 PolarHBondContact O-N 2.99Å |
| 151 | W | 95.2 | Very high | 93.9 | Very high | 44 Ų | 44 | 64 Ų | 64 | 17% | 0.167 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.5 | -31.9 | 176.1 | 166.1 | 80.7 | 0 | 0 | 0 | 112.7 | L144 E147 A148 E149 P154 H155 F169 E172 L173 T176 Y177 | L144-W151 HydrophobicContact CD1-CZ3 4.48Å; E147-W151 WeakPolarHBondContact O-CB 3.43Å; E147-W151 PolarHBondContact O-N 3.22Å; A148-W151 PolarHBondContact O-N 3.48Å; E149-W151 VanDerWaalsContact C-N 3.27Å; E149-W151 PolarHBondContact O-N 3.19Å; W151-P154 WeakPolarHBondContact O-CD 3.45Å; W151-P154 WeakPolarHBondContact O-CG 3.27Å; W151-H155 AromaticContact CE2-CD2 3.93Å; W151-H155 AromaticContact CE2-NE2 3.7Å; W151-H155 AromaticContact CZ2-CD2 3.96Å; W151-H155 AromaticContact CZ2-NE2 3.77Å; W151-H155 AromaticContact NE1-NE2 3.68Å; W151-H155 PolarHBondContact O-CD2 3.4Å; W151-F169 HydrophobicContact CH2-CE1 4.12Å; W151-F169 HydrophobicContact CH2-CZ 4.39Å; W151-F169 AromaticContact CZ3-CE1 3.8Å; W151-F169 HydrophobicContact CZ3-CE1 3.8Å; W151-F169 AromaticContact CZ3-CZ 3.99Å; W151-F169 HydrophobicContact CZ3-CZ 3.99Å; W151-E172 HydrophobicContact CZ2-CB 4.5Å; W151-E172 HydrophobicContact CZ2-CG 3.98Å; W151-L173 HydrophobicContact CE3-CD1 4.15Å; W151-L173 VanDerWaalsContact CH2-CA 3.49Å; W151-L173 HydrophobicContact CH2-CB 3.87Å; W151-L173 HydrophobicContact CH2-CD1 3.83Å; W151-L173 HydrophobicContact CH2-CG 4.48Å; W151-L173 HydrophobicContact CZ3-CB 4.29Å; W151-L173 HydrophobicContact CZ3-CD1 3.43Å; W151-L173 VanDerWaalsContact CZ3-CD1 3.43Å; W151-L173 HydrophobicContact CZ3-CG 4.48Å; W151-T176 HydrophobicContact CG-CG2 4.49Å; W151-T176 PolarHBondContact NE1-OG1 3.05Å; W151-Y177 AromaticContact CD2-CE2 3.99Å; W151-Y177 HydrophobicContact CD2-CE2 3.99Å; W151-Y177 HydrophobicContact CE3-CE2 4.02Å; W151-Y177 HydrophobicContact CG-CE2 4.36Å; W151-Y177 HydrophobicContact CZ3-CE2 4.48Å |
| 152 | A | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -75.3 | -24.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | V141 L144 A148 E149 K150 H155 M156 F169 | V141-A152 HydrophobicContact CG1-CB 4.13Å; V141-A152 HydrophobicContact CG2-CB 4.1Å; L144-A152 HydrophobicContact CD1-CB 3.63Å; A148-A152 PolarHBondContact O-N 3.03Å; A148-A152 VanDerWaalsContact O-N 3.12Å; E149-A152 WeakPolarHBondContact O-CB 3.45Å; E149-A152 PolarHBondContact O-N 2.98Å; K150-A152 VanDerWaalsContact C-N 3.3Å; K150-A152 PolarHBondContact O-N 2.99Å; A152-H155 WeakPolarHBondContact O-CA 3.44Å; A152-H155 WeakPolarHBondContact O-CB 3.47Å; A152-H155 PolarHBondContact O-N 3.22Å; A152-M156 PolarHBondContact O-N 3.34Å; A152-F169 HydrophobicContact CB-CZ 4.02Å |
| 153 | I | 93.3 | Very high | 93.8 | Very high | 99 Ų | 99 | 66 Ų | 66 | 51% | 0.508 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -47.5 | -53.5 | -177.3 | -62.7 | 173.3 | 0 | 0 | 0 | 113.9 | E149 H155 M156 | E149-I153 PolarHBondContact O-N 3.23Å; I153-H155 PolarHBondContact O-N 2.73Å; I153-M156 PolarHBondContact O-N 3.48Å |
| 154 | P | 94.4 | Very high | 93.7 | Very high | 78 Ų | 78 | 67.2 Ų | 67.2 | 51% | 0.506 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -64.2 | -29.2 | 179.2 | 25.1 | -36.1 | 0 | 0 | 0 | 113 | W151 M156 | W151-P154 WeakPolarHBondContact O-CD 3.45Å; W151-P154 WeakPolarHBondContact O-CG 3.27Å; P154-M156 PolarHBondContact O-N 3.13Å |
| 155 | H | 94.6 | Very high | 93.7 | Very high | 36 Ų | 36 | 70 Ų | 70 | 17% | 0.167 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -76 | -13 | 179.6 | -60.3 | -55.9 | 0 | 0 | 0 | 113.3 | W151 A152 I153 S160 L162 F169 | W151-H155 AromaticContact CE2-CD2 3.93Å; W151-H155 AromaticContact CE2-NE2 3.7Å; W151-H155 AromaticContact CZ2-CD2 3.96Å; W151-H155 AromaticContact CZ2-NE2 3.77Å; W151-H155 AromaticContact NE1-NE2 3.68Å; W151-H155 PolarHBondContact O-CD2 3.4Å; A152-H155 WeakPolarHBondContact O-CA 3.44Å; A152-H155 WeakPolarHBondContact O-CB 3.47Å; A152-H155 PolarHBondContact O-N 3.22Å; I153-H155 PolarHBondContact O-N 2.73Å; H155-S160 WeakPolarHBondContact CA-OG 3.37Å; H155-S160 WeakPolarHBondContact O-CB 3.43Å; H155-S160 PolarHBondContact O-OG 3.42Å; H155-L162 HydrophobicContact CB-CB 4.47Å; H155-L162 HydrophobicContact CB-CD1 4.48Å; H155-L162 WeakPolarHBondContact ND1-CD1 3.47Å; H155-F169 HydrophobicContact CB-CD2 4.39Å; H155-F169 HydrophobicContact CB-CE2 3.68Å; H155-F169 HydrophobicContact CB-CZ 4.43Å |
| 156 | M | 94.3 | Very high | 93.8 | Very high | 47 Ų | 47 | 67.8 Ų | 67.8 | 23% | 0.232 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -97.4 | 1.7 | 178.7 | -65.9 | -55.1 | -69.3 | 0 | 0 | 114.1 | V137 V141 A152 I153 P154 R163 F169 | V137-M156 HydrophobicContact CG1-CE 4.27Å; V137-M156 HydrophobicContact CG1-SD 3.64Å; V141-M156 HydrophobicContact CG1-CG 4.31Å; V141-M156 HydrophobicContact CG2-CG 4.1Å; V141-M156 HydrophobicContact CG2-SD 3.73Å; A152-M156 PolarHBondContact O-N 3.34Å; I153-M156 PolarHBondContact O-N 3.48Å; P154-M156 PolarHBondContact O-N 3.13Å; M156-R163 HydrophobicContact CE-CG 4.31Å; M156-R163 WeakPolarHBondContact O-CD 3.42Å; M156-R163 HydrophobicContact SD-CG 4.5Å; M156-F169 HydrophobicContact SD-CE2 4.34Å |
| 157 | Q | 93.9 | Very high | 94 | Very high | 94 Ų | 94 | 71.3 Ų | 71.3 | 44% | 0.439 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -65.4 | 152 | 175.5 | -63.7 | -59.3 | -37.5 | 0 | 0 | 111.6 | D159 S160 R163 | Q157-D159 WeakPolarHBondContact CB-OD1 3.49Å; Q157-D159 PolarHBondContact O-N 3Å; Q157-S160 VanDerWaalsContact O-CB 3.31Å; Q157-S160 WeakPolarHBondContact O-CB 3.19Å; Q157-S160 PolarHBondContact O-N 3.43Å; Q157-R163 WeakPolarHBondContact O-CD 3.43Å |
| 158 | P | 91 | Very high | 94.4 | Very high | 114 Ų | 114 | 68.7 Ų | 68.7 | 74% | 0.74 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -29.5 | -176.1 | -25.3 | 34.9 | 0 | 0 | 0 | 114.7 | ||
| 159 | D | 91.6 | Very high | 94.5 | Very high | 139 Ų | 139 | 68.7 Ų | 68.7 | 74% | 0.743 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -11.3 | 179.4 | 62.1 | -33.6 | 0 | 0 | 0 | 113.5 | Q157 P161 | Q157-D159 WeakPolarHBondContact CB-OD1 3.49Å; Q157-D159 PolarHBondContact O-N 3Å; D159-P161 WeakPolarHBondContact O-CD 3.48Å |
| 160 | S | 93.9 | Very high | 94.6 | Very high | 15 Ų | 15 | 64.2 Ų | 64.2 | 11% | 0.105 | 34% | 0.336 | C | S | . | . | trans | -72.5 | 123.1 | -178.8 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | H155 Q157 L162 R163 | H155-S160 WeakPolarHBondContact CA-OG 3.37Å; H155-S160 WeakPolarHBondContact O-CB 3.43Å; H155-S160 PolarHBondContact O-OG 3.42Å; Q157-S160 VanDerWaalsContact O-CB 3.31Å; Q157-S160 WeakPolarHBondContact O-CB 3.19Å; Q157-S160 PolarHBondContact O-N 3.43Å; S160-L162 PolarHBondContact O-N 3.3Å; S160-L162 PolarHBondContact OG-N 3.45Å; S160-R163 WeakPolarHBondContact O-CB 3.33Å; S160-R163 PolarHBondContact O-N 3.08Å | ||
| 161 | P | 92.6 | Very high | 94.8 | Very high | 108 Ų | 108 | 59.4 Ų | 59.4 | 70% | 0.701 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -17.8 | 175.9 | 28.9 | -35.3 | 0 | 0 | 0 | 112.4 | D159 N165 | D159-P161 WeakPolarHBondContact O-CD 3.48Å; P161-N165 WeakPolarHBondContact O-CB 3.47Å |
| 162 | L | 95.3 | Very high | 94.8 | Very high | 30 Ų | 30 | 59.1 Ų | 59.1 | 16% | 0.157 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -19.8 | 179.7 | -64.8 | 175.5 | 0 | 0 | 0 | 112.8 | H155 S160 N164 N165 F169 E172 | H155-L162 HydrophobicContact CB-CB 4.47Å; H155-L162 HydrophobicContact CB-CD1 4.48Å; H155-L162 WeakPolarHBondContact ND1-CD1 3.47Å; S160-L162 PolarHBondContact O-N 3.3Å; S160-L162 PolarHBondContact OG-N 3.45Å; L162-N164 PolarHBondContact O-N 3.45Å; L162-N165 PolarHBondContact O-N 2.89Å; L162-F169 HydrophobicContact CB-CD2 4.12Å; L162-E172 HydrophobicContact CD1-CB 4.19Å; L162-E172 HydrophobicContact CD1-CG 3.88Å |
| 163 | R | 93.5 | Very high | 94.7 | Very high | 97 Ų | 97 | 59.1 Ų | 59.1 | 37% | 0.366 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -32.7 | -178.6 | -173.8 | -178.3 | 177.8 | -80.7 | 3.4 | 112.6 | V137 M156 Q157 S160 | V137-R163 WeakPolarHBondContact CB-O 3.4Å; M156-R163 HydrophobicContact CE-CG 4.31Å; M156-R163 WeakPolarHBondContact O-CD 3.42Å; M156-R163 HydrophobicContact SD-CG 4.5Å; Q157-R163 WeakPolarHBondContact O-CD 3.43Å; S160-R163 WeakPolarHBondContact O-CB 3.33Å; S160-R163 PolarHBondContact O-N 3.08Å |
| 164 | N | 95.1 | Very high | 94.8 | Very high | 84 Ų | 84 | 58.4 Ų | 58.4 | 45% | 0.449 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | 22.1 | -179.4 | -51.7 | -41.9 | 0 | 0 | 0 | 111.9 | E133 A134 L162 | E133-N164 VanDerWaalsContact CB-O 3.29Å; E133-N164 WeakPolarHBondContact CB-O 3.36Å; A134-N164 VanDerWaalsContact CB-OD1 3.29Å; A134-N164 WeakPolarHBondContact CB-OD1 3.29Å; L162-N164 PolarHBondContact O-N 3.45Å |
| 165 | N | 96.8 | Very high | 94.7 | Very high | 62 Ų | 62 | 62.3 Ų | 62.3 | 33% | 0.332 | 32% | 0.321 | S | S | . | . | trans | -133.2 | 93.4 | -179.2 | -178 | -11.8 | 0 | 0 | 0 | 110.2 | E133 P161 L162 Q167 G168 F169 | E133-N165 WeakPolarHBondContact OE2-CA 3.09Å; P161-N165 WeakPolarHBondContact O-CB 3.47Å; L162-N165 PolarHBondContact O-N 2.89Å; N165-Q167 PolarHBondContact O-N 3.21Å; N165-Q167 PolarHBondContact OD1-N 3.3Å; N165-G168 PolarHBondContact O-N 3.01Å; N165-G168 PolarHBondContact OD1-N 2.96Å; N165-F169 WeakPolarHBondContact O-CB 3.15Å; N165-F169 PolarHBondContact O-N 3.22Å | ||
| 166 | Y | 96.4 | Very high | 94.6 | Very high | 8 Ų | 8 | 61 Ų | 61 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.1 | -43.8 | -174.9 | -178.2 | -111.9 | 0 | 0 | 0 | 112.6 | M123 R136 V137 L140 F169 L170 | M123-Y166 HydrophobicContact CE-CE2 3.91Å; M123-Y166 HydrophobicContact CG-CE1 4.42Å; R136-Y166 HydrophobicContact CB-CD1 4.46Å; R136-Y166 HydrophobicContact CB-CD2 3.46Å; R136-Y166 VanDerWaalsContact CB-CD2 3.46Å; R136-Y166 HydrophobicContact CB-CE2 3.95Å; R136-Y166 HydrophobicContact CB-CG 3.75Å; V137-Y166 HydrophobicContact CG2-CD2 4.26Å; L140-Y166 HydrophobicContact CB-CE2 4.19Å; L140-Y166 HydrophobicContact CD1-CE2 3.77Å; Y166-F169 PolarHBondContact O-N 3.23Å; Y166-L170 HydrophobicContact CD1-CD1 3.96Å; Y166-L170 HydrophobicContact CE1-CD1 3.42Å; Y166-L170 VanDerWaalsContact CE1-CD1 3.42Å; Y166-L170 HydrophobicContact CE1-CG 4.18Å; Y166-L170 HydrophobicContact CE2-CD1 4.4Å; Y166-L170 HydrophobicContact CE2-CG 4.32Å; Y166-L170 WeakPolarHBondContact O-CG 3.31Å; Y166-L170 PolarHBondContact O-N 2.92Å |
| 167 | Q | 96.3 | Very high | 94.3 | Very high | 114 Ų | 114 | 58.8 Ų | 58.8 | 53% | 0.533 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.9 | -41 | -179.9 | -69.5 | -59.3 | -28.4 | 0 | 0 | 111.9 | N165 F169 L170 A171 | N165-Q167 PolarHBondContact O-N 3.21Å; N165-Q167 PolarHBondContact OD1-N 3.3Å; Q167-F169 VanDerWaalsContact C-N 3.33Å; Q167-F169 PolarHBondContact O-N 3.19Å; Q167-L170 PolarHBondContact O-N 3.46Å; Q167-A171 WeakPolarHBondContact O-CB 3.4Å; Q167-A171 PolarHBondContact O-N 3.24Å |
| 168 | G | 97.3 | Very high | 93.8 | Very high | 16 Ų | 16 | 62.1 Ų | 62.1 | 17% | 0.165 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | N165 L170 A171 E172 | N165-G168 PolarHBondContact O-N 3.01Å; N165-G168 PolarHBondContact OD1-N 2.96Å; G168-L170 PolarHBondContact O-N 3.22Å; G168-A171 PolarHBondContact O-N 3.29Å; G168-E172 WeakPolarHBondContact O-CB 3.33Å; G168-E172 PolarHBondContact O-N 3.39Å |
| 169 | F | 97.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 177.8 | -159.7 | -74.7 | 0 | 0 | 0 | 111.6 | V137 L140 V141 L144 W151 A152 H155 M156 L162 N165 Y166 Q167 A171 E172 L173 | V137-F169 HydrophobicContact CG1-CD2 3.64Å; V137-F169 HydrophobicContact CG1-CE2 3.99Å; V137-F169 HydrophobicContact CG1-CG 4.17Å; V137-F169 HydrophobicContact CG2-CB 4.2Å; L140-F169 HydrophobicContact CD1-CD1 4.47Å; L140-F169 HydrophobicContact CD2-CD1 3.64Å; L140-F169 HydrophobicContact CD2-CE1 3.38Å; L140-F169 HydrophobicContact CD2-CZ 4.37Å; V141-F169 HydrophobicContact CG2-CE1 4.18Å; V141-F169 HydrophobicContact CG2-CE2 4.04Å; V141-F169 HydrophobicContact CG2-CZ 3.57Å; L144-F169 HydrophobicContact CD1-CE1 4.46Å; W151-F169 HydrophobicContact CH2-CE1 4.12Å; W151-F169 HydrophobicContact CH2-CZ 4.39Å; W151-F169 AromaticContact CZ3-CE1 3.8Å; W151-F169 HydrophobicContact CZ3-CE1 3.8Å; W151-F169 AromaticContact CZ3-CZ 3.99Å; W151-F169 HydrophobicContact CZ3-CZ 3.99Å; A152-F169 HydrophobicContact CB-CZ 4.02Å; H155-F169 HydrophobicContact CB-CD2 4.39Å; H155-F169 HydrophobicContact CB-CE2 3.68Å; H155-F169 HydrophobicContact CB-CZ 4.43Å; M156-F169 HydrophobicContact SD-CE2 4.34Å; L162-F169 HydrophobicContact CB-CD2 4.12Å; N165-F169 WeakPolarHBondContact O-CB 3.15Å; N165-F169 PolarHBondContact O-N 3.22Å; Y166-F169 PolarHBondContact O-N 3.23Å; Q167-F169 VanDerWaalsContact C-N 3.33Å; Q167-F169 PolarHBondContact O-N 3.19Å; F169-A171 VanDerWaalsContact C-N 3.34Å; F169-A171 PolarHBondContact O-N 2.71Å; F169-E172 PolarHBondContact O-N 2.91Å; F169-L173 WeakPolarHBondContact O-CB 3.47Å; F169-L173 PolarHBondContact O-N 2.93Å |
| 170 | L | 96.3 | Very high | 91.5 | Very high | 9 Ų | 9 | 55.9 Ų | 55.9 | 5% | 0.047 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.8 | -38.8 | 175.6 | -73 | 176.9 | 0 | 0 | 0 | 112.7 | L116 L140 Y166 Q167 G168 E172 R174 | L116-L170 HydrophobicContact CD2-CD2 3.59Å; L140-L170 HydrophobicContact CD1-CD2 3.37Å; L140-L170 HydrophobicContact CD1-CG 4.19Å; Y166-L170 HydrophobicContact CD1-CD1 3.96Å; Y166-L170 HydrophobicContact CE1-CD1 3.42Å; Y166-L170 VanDerWaalsContact CE1-CD1 3.42Å; Y166-L170 HydrophobicContact CE1-CG 4.18Å; Y166-L170 HydrophobicContact CE2-CD1 4.4Å; Y166-L170 HydrophobicContact CE2-CG 4.32Å; Y166-L170 WeakPolarHBondContact O-CG 3.31Å; Y166-L170 PolarHBondContact O-N 2.92Å; Q167-L170 PolarHBondContact O-N 3.46Å; G168-L170 PolarHBondContact O-N 3.22Å; L170-E172 VanDerWaalsContact C-N 3.35Å; L170-R174 WeakPolarHBondContact O-CB 3.33Å; L170-R174 VanDerWaalsContact O-CG 3.26Å; L170-R174 WeakPolarHBondContact O-CG 3.46Å; L170-R174 PolarHBondContact O-N 3.33Å |
| 171 | A | 95.9 | Very high | 89.9 | Confident | 54 Ų | 54 | 61.9 Ų | 61.9 | 45% | 0.446 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q167 G168 F169 R174 R175 | Q167-A171 WeakPolarHBondContact O-CB 3.4Å; Q167-A171 PolarHBondContact O-N 3.24Å; G168-A171 PolarHBondContact O-N 3.29Å; F169-A171 VanDerWaalsContact C-N 3.34Å; F169-A171 PolarHBondContact O-N 2.71Å; A171-R174 PolarHBondContact O-N 2.95Å; A171-R175 WeakPolarHBondContact O-CB 3.4Å; A171-R175 PolarHBondContact O-N 3.32Å |
| 172 | E | 95.3 | Very high | 88.5 | Confident | 37 Ų | 37 | 63.4 Ų | 63.4 | 17% | 0.173 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.2 | -38 | 179.8 | -167 | 44 | -139 | 0 | 0 | 112.1 | W151 L162 G168 F169 L170 R175 T176 | W151-E172 HydrophobicContact CZ2-CB 4.5Å; W151-E172 HydrophobicContact CZ2-CG 3.98Å; L162-E172 HydrophobicContact CD1-CB 4.19Å; L162-E172 HydrophobicContact CD1-CG 3.88Å; G168-E172 WeakPolarHBondContact O-CB 3.33Å; G168-E172 PolarHBondContact O-N 3.39Å; F169-E172 PolarHBondContact O-N 2.91Å; L170-E172 VanDerWaalsContact C-N 3.35Å; E172-R175 VanDerWaalsContact CD-NE 3.31Å; E172-R175 PolarHBondContact O-N 3.36Å; E172-R175 IonicContact OE1-CZ 3.24Å; E172-R175 VanDerWaalsContact OE1-CZ 3.24Å; E172-R175 IonicContact OE1-NE 2.79Å; E172-R175 PolarHBondContact OE1-NE 3.38Å; E172-R175 IonicContact OE1-NH2 2.62Å; E172-R175 PolarHBondContact OE1-NH2 2.98Å; E172-R175 IonicContact OE2-CZ 3.52Å; E172-R175 IonicContact OE2-NE 3.51Å; E172-R175 PolarHBondContact OE2-NE 3.41Å; E172-R175 IonicContact OE2-NH2 3.54Å; E172-T176 WeakPolarHBondContact O-CB 3.34Å; E172-T176 PolarHBondContact O-N 3.48Å; E172-T176 PolarHBondContact O-OG1 3.36Å |
| 173 | L | 95.1 | Very high | 87 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.6 | -49 | 171.3 | -175.6 | 73.7 | 0 | 0 | 0 | 111 | F105 L112 F115 L116 L144 W151 F169 R175 T176 Y177 | F105-L173 HydrophobicContact CD1-CD1 4.47Å; F105-L173 HydrophobicContact CE1-CD1 4.17Å; L112-L173 HydrophobicContact CD1-CD2 4.23Å; L112-L173 HydrophobicContact CD1-CG 4.17Å; F115-L173 HydrophobicContact CD1-CD2 4.3Å; F115-L173 HydrophobicContact CE1-CD2 3.86Å; L116-L173 HydrophobicContact CD2-CD2 4.06Å; L144-L173 HydrophobicContact CD2-CD1 4.41Å; W151-L173 HydrophobicContact CE3-CD1 4.15Å; W151-L173 VanDerWaalsContact CH2-CA 3.49Å; W151-L173 HydrophobicContact CH2-CB 3.87Å; W151-L173 HydrophobicContact CH2-CD1 3.83Å; W151-L173 HydrophobicContact CH2-CG 4.48Å; W151-L173 HydrophobicContact CZ3-CB 4.29Å; W151-L173 HydrophobicContact CZ3-CD1 3.43Å; W151-L173 VanDerWaalsContact CZ3-CD1 3.43Å; W151-L173 HydrophobicContact CZ3-CG 4.48Å; F169-L173 WeakPolarHBondContact O-CB 3.47Å; F169-L173 PolarHBondContact O-N 2.93Å; L173-R175 PolarHBondContact O-N 3Å; L173-T176 PolarHBondContact O-N 3.26Å; L173-Y177 HydrophobicContact CD1-CD2 3.69Å; L173-Y177 HydrophobicContact CD1-CE2 3.88Å; L173-Y177 HydrophobicContact CG-CD2 4.35Å; L173-Y177 WeakPolarHBondContact O-CD2 3.42Å; L173-Y177 PolarHBondContact O-N 2.93Å |
| 174 | R | 93.9 | Very high | 85.6 | Confident | 85 Ų | 85 | 61.3 Ų | 61.3 | 32% | 0.321 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.2 | -47.1 | 175.2 | -72.8 | 173.3 | -169.6 | 115.9 | -0.3 | 111.1 | L116 L170 A171 T176 Y177 K178 | L116-R174 HydrophobicContact CD1-CG 3.66Å; L170-R174 WeakPolarHBondContact O-CB 3.33Å; L170-R174 VanDerWaalsContact O-CG 3.26Å; L170-R174 WeakPolarHBondContact O-CG 3.46Å; L170-R174 PolarHBondContact O-N 3.33Å; A171-R174 PolarHBondContact O-N 2.95Å; R174-T176 PolarHBondContact O-N 3.37Å; R174-Y177 PolarHBondContact O-N 3.44Å; R174-K178 WeakPolarHBondContact O-CB 3.39Å; R174-K178 PolarHBondContact O-N 3.49Å |
| 175 | R | 92.1 | Very high | 84.5 | Confident | 160 Ų | 160 | 66.2 Ų | 66.2 | 60% | 0.604 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -57.9 | -38.9 | 179.4 | -170.3 | -175.7 | 77.7 | 102.3 | 0.3 | 112 | A171 E172 L173 | A171-R175 WeakPolarHBondContact O-CB 3.4Å; A171-R175 PolarHBondContact O-N 3.32Å; E172-R175 VanDerWaalsContact CD-NE 3.31Å; E172-R175 PolarHBondContact O-N 3.36Å; E172-R175 IonicContact OE1-CZ 3.24Å; E172-R175 VanDerWaalsContact OE1-CZ 3.24Å; E172-R175 IonicContact OE1-NE 2.79Å; E172-R175 PolarHBondContact OE1-NE 3.38Å; E172-R175 IonicContact OE1-NH2 2.62Å; E172-R175 PolarHBondContact OE1-NH2 2.98Å; E172-R175 IonicContact OE2-CZ 3.52Å; E172-R175 IonicContact OE2-NE 3.51Å; E172-R175 PolarHBondContact OE2-NE 3.41Å; E172-R175 IonicContact OE2-NH2 3.54Å; L173-R175 PolarHBondContact O-N 3Å |
| 176 | T | 92 | Very high | 83.3 | Confident | 7 Ų | 7 | 67.6 Ų | 67.6 | 4% | 0.043 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72.4 | -47.8 | -178.8 | -61.7 | 0 | 0 | 0 | 0 | 111.5 | W151 E172 L173 R174 H183 R186 | W151-T176 HydrophobicContact CG-CG2 4.49Å; W151-T176 PolarHBondContact NE1-OG1 3.05Å; E172-T176 WeakPolarHBondContact O-CB 3.34Å; E172-T176 PolarHBondContact O-N 3.48Å; E172-T176 PolarHBondContact O-OG1 3.36Å; L173-T176 PolarHBondContact O-N 3.26Å; R174-T176 PolarHBondContact O-N 3.37Å; T176-H183 PolarHBondContact O-NE2 3.46Å; T176-R186 PolarHBondContact O-NH2 3.12Å |
| 177 | Y | 89.7 | Confident | 82.1 | Confident | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.008 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -103.7 | -11.8 | -166.3 | -67.3 | -80.2 | 0 | 0 | 0 | 116.4 | F105 G107 P109 A148 W151 L173 R174 S179 H183 | F105-Y177 HydrophobicContact CE1-CD1 4.08Å; F105-Y177 AromaticContact CE1-CD2 3.92Å; F105-Y177 HydrophobicContact CE1-CD2 3.92Å; F105-Y177 HydrophobicContact CE1-CE1 4.36Å; F105-Y177 HydrophobicContact CE1-CE2 4.23Å; F105-Y177 AromaticContact CE1-CG 3.86Å; F105-Y177 HydrophobicContact CE1-CG 3.86Å; F105-Y177 AromaticContact CZ-CD1 3.96Å; F105-Y177 HydrophobicContact CZ-CD1 3.96Å; F105-Y177 HydrophobicContact CZ-CD2 4.35Å; F105-Y177 AromaticContact CZ-CG 3.84Å; F105-Y177 HydrophobicContact CZ-CG 3.84Å; G107-Y177 WeakPolarHBondContact O-CD1 3.49Å; G107-Y177 WeakPolarHBondContact O-CE1 3.25Å; P109-Y177 VanDerWaalsContact CB-O 3.23Å; P109-Y177 WeakPolarHBondContact CB-O 3.45Å; P109-Y177 WeakPolarHBondContact CG-O 3.46Å; A148-Y177 VanDerWaalsContact CA-OH 3.27Å; A148-Y177 WeakPolarHBondContact CA-OH 3.48Å; A148-Y177 HydrophobicContact CB-CE2 4.47Å; W151-Y177 AromaticContact CD2-CE2 3.99Å; W151-Y177 HydrophobicContact CD2-CE2 3.99Å; W151-Y177 HydrophobicContact CE3-CE2 4.02Å; W151-Y177 HydrophobicContact CG-CE2 4.36Å; W151-Y177 HydrophobicContact CZ3-CE2 4.48Å; L173-Y177 HydrophobicContact CD1-CD2 3.69Å; L173-Y177 HydrophobicContact CD1-CE2 3.88Å; L173-Y177 HydrophobicContact CG-CD2 4.35Å; L173-Y177 WeakPolarHBondContact O-CD2 3.42Å; L173-Y177 PolarHBondContact O-N 2.93Å; R174-Y177 PolarHBondContact O-N 3.44Å; Y177-S179 PolarHBondContact O-N 3.32Å; Y177-S179 VanDerWaalsContact O-N 3.11Å; Y177-H183 WeakPolarHBondContact CA-NE2 3.31Å; Y177-H183 AromaticContact CD1-CE1 3.28Å; Y177-H183 WeakPolarHBondContact CD1-CE1 3.47Å; Y177-H183 AromaticContact CD1-NE2 3.18Å; Y177-H183 WeakPolarHBondContact CD1-NE2 3.36Å; Y177-H183 AromaticContact CE1-CE1 3.26Å; Y177-H183 WeakPolarHBondContact CE1-CE1 3.46Å; Y177-H183 AromaticContact CE1-NE2 3.67Å; Y177-H183 AromaticContact CG-NE2 3.79Å |
| 178 | K | 83.2 | Confident | 81.1 | Confident | 163 Ų | 163 | 69.3 Ų | 69.3 | 71% | 0.709 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -73.5 | 0.7 | -176.2 | -165.3 | 176.2 | -176.4 | -174.8 | 0 | 114.5 | L112 R174 | L112-K178 HydrophobicContact CD2-CB 4.1Å; R174-K178 WeakPolarHBondContact O-CB 3.39Å; R174-K178 PolarHBondContact O-N 3.49Å |
| 179 | S | 72.1 | Confident | 80.3 | Confident | 30 Ų | 30 | 73 Ų | 73 | 21% | 0.21 | 36% | 0.355 | C | S | . | . | trans | -126.1 | 113.5 | -176.9 | -177.4 | 0 | 0 | 0 | 0 | 113 | Y177 L181 R182 H183 | Y177-S179 PolarHBondContact O-N 3.32Å; Y177-S179 VanDerWaalsContact O-N 3.11Å; S179-L181 PolarHBondContact O-N 3.31Å; S179-L181 PolarHBondContact OG-N 3.03Å; S179-R182 PolarHBondContact O-N 3.39Å; S179-R182 PolarHBondContact OG-N 3.43Å; S179-H183 PolarHBondContact O-N 2.96Å | ||
| 180 | P | 62.2 | Low | 79.5 | Confident | 92 Ų | 92 | 78.7 Ų | 78.7 | 60% | 0.597 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -56.1 | -38.1 | 170.2 | -22.7 | 31.5 | 0 | 0 | 0 | 111.8 | R182 H183 A184 | P180-R182 PolarHBondContact O-N 3.26Å; P180-H183 PolarHBondContact O-N 3.41Å; P180-A184 WeakPolarHBondContact O-CB 3.32Å; P180-A184 PolarHBondContact O-N 3.48Å |
| 181 | L | 60 | Low | 78.7 | Confident | 142 Ų | 142 | 85.6 Ų | 85.6 | 74% | 0.743 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -65.5 | -36.3 | -180 | -65 | 174.3 | 0 | 0 | 0 | 112.6 | S179 R185 | S179-L181 PolarHBondContact O-N 3.31Å; S179-L181 PolarHBondContact OG-N 3.03Å; L181-R185 WeakPolarHBondContact O-CB 3.18Å; L181-R185 PolarHBondContact O-N 3.05Å |
| 182 | R | 62.8 | Low | 78.1 | Confident | 140 Ų | 140 | 86 Ų | 86 | 53% | 0.528 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -72.1 | -39.1 | 178.2 | -69.7 | -176 | -179.6 | -95.5 | 0.6 | 111.7 | S179 P180 R186 | S179-R182 PolarHBondContact O-N 3.39Å; S179-R182 PolarHBondContact OG-N 3.43Å; P180-R182 PolarHBondContact O-N 3.26Å; R182-R186 WeakPolarHBondContact O-CB 3.32Å; R182-R186 VanDerWaalsContact O-CG 3.31Å; R182-R186 WeakPolarHBondContact O-CG 3.19Å; R182-R186 PolarHBondContact O-N 3.48Å |
| 183 | H | 63.3 | Low | 77.6 | Confident | 23 Ų | 23 | 87.3 Ų | 87.3 | 11% | 0.106 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -71 | -42.4 | 174.5 | -79.5 | -78.5 | 0 | 0 | 0 | 112.2 | P109 T176 Y177 S179 P180 R185 R186 A187 | P109-H183 HydrophobicContact CG-CB 4.42Å; T176-H183 PolarHBondContact O-NE2 3.46Å; Y177-H183 WeakPolarHBondContact CA-NE2 3.31Å; Y177-H183 AromaticContact CD1-CE1 3.28Å; Y177-H183 WeakPolarHBondContact CD1-CE1 3.47Å; Y177-H183 AromaticContact CD1-NE2 3.18Å; Y177-H183 WeakPolarHBondContact CD1-NE2 3.36Å; Y177-H183 AromaticContact CE1-CE1 3.26Å; Y177-H183 WeakPolarHBondContact CE1-CE1 3.46Å; Y177-H183 AromaticContact CE1-NE2 3.67Å; Y177-H183 AromaticContact CG-NE2 3.79Å; S179-H183 PolarHBondContact O-N 2.96Å; P180-H183 PolarHBondContact O-N 3.41Å; H183-R185 VanDerWaalsContact C-N 3.33Å; H183-R185 PolarHBondContact O-N 3.23Å; H183-R186 PolarHBondContact O-N 3.02Å; H183-A187 VanDerWaalsContact O-CB 3.25Å; H183-A187 WeakPolarHBondContact O-CB 3.33Å; H183-A187 PolarHBondContact O-N 3.19Å |
| 184 | A | 65.7 | Low | 76.9 | Confident | 60 Ų | 60 | 90.2 Ų | 90.2 | 50% | 0.496 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.3 | -45.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | P180 A187 Q188 | P180-A184 WeakPolarHBondContact O-CB 3.32Å; P180-A184 PolarHBondContact O-N 3.48Å; A184-A187 PolarHBondContact O-N 2.93Å; A184-Q188 VanDerWaalsContact O-CB 3.26Å; A184-Q188 WeakPolarHBondContact O-CB 3.49Å; A184-Q188 PolarHBondContact O-N 3.37Å |
| 185 | R | 70.3 | Confident | 76.4 | Confident | 186 Ų | 186 | 89.5 Ų | 89.5 | 70% | 0.702 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -64 | -44.7 | 175.4 | -175.1 | 175.5 | -178 | 177.3 | 1.1 | 112.3 | L181 H183 Q188 I189 | L181-R185 WeakPolarHBondContact O-CB 3.18Å; L181-R185 PolarHBondContact O-N 3.05Å; H183-R185 VanDerWaalsContact C-N 3.33Å; H183-R185 PolarHBondContact O-N 3.23Å; R185-Q188 PolarHBondContact O-N 2.92Å; R185-I189 HydrophobicContact CG-CD1 3.91Å; R185-I189 HydrophobicContact CG-CG1 4.49Å; R185-I189 WeakPolarHBondContact O-CB 3.04Å; R185-I189 WeakPolarHBondContact O-CD1 2.99Å; R185-I189 WeakPolarHBondContact O-CG1 3.29Å; R185-I189 PolarHBondContact O-N 3.49Å |
| 186 | R | 71.9 | Confident | 76.1 | Confident | 91 Ų | 91 | 86.4 Ų | 86.4 | 34% | 0.343 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 176.4 | -80.4 | -175 | -101.9 | -113.4 | 8.6 | 111.8 | T176 R182 H183 Q188 I189 R190 | T176-R186 PolarHBondContact O-NH2 3.12Å; R182-R186 WeakPolarHBondContact O-CB 3.32Å; R182-R186 VanDerWaalsContact O-CG 3.31Å; R182-R186 WeakPolarHBondContact O-CG 3.19Å; R182-R186 PolarHBondContact O-N 3.48Å; H183-R186 PolarHBondContact O-N 3.02Å; R186-Q188 VanDerWaalsContact C-N 3.33Å; R186-Q188 PolarHBondContact O-N 2.82Å; R186-I189 PolarHBondContact O-N 3.03Å; R186-R190 WeakPolarHBondContact O-CG 3.35Å; R186-R190 PolarHBondContact O-N 3.2Å |
| 187 | A | 72.6 | Confident | 75.9 | Confident | 44 Ų | 44 | 94.5 Ų | 94.5 | 36% | 0.364 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | H183 A184 R190 K191 | H183-A187 VanDerWaalsContact O-CB 3.25Å; H183-A187 WeakPolarHBondContact O-CB 3.33Å; H183-A187 PolarHBondContact O-N 3.19Å; A184-A187 PolarHBondContact O-N 2.93Å; A187-R190 PolarHBondContact O-N 2.88Å; A187-K191 WeakPolarHBondContact O-CB 3.48Å; A187-K191 PolarHBondContact O-N 3.42Å |
| 188 | Q | 74.6 | Confident | 75.7 | Confident | 114 Ų | 114 | 96.5 Ų | 96.5 | 53% | 0.533 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 175.8 | -171 | 71.8 | -34.4 | 0 | 0 | 112.4 | A184 R185 R186 R190 K191 T192 | A184-Q188 VanDerWaalsContact O-CB 3.26Å; A184-Q188 WeakPolarHBondContact O-CB 3.49Å; A184-Q188 PolarHBondContact O-N 3.37Å; R185-Q188 PolarHBondContact O-N 2.92Å; R186-Q188 VanDerWaalsContact C-N 3.33Å; R186-Q188 PolarHBondContact O-N 2.82Å; Q188-R190 VanDerWaalsContact C-N 3.35Å; Q188-K191 PolarHBondContact O-N 2.86Å; Q188-T192 HydrophobicContact CG-CG2 4.48Å; Q188-T192 WeakPolarHBondContact O-CB 3.44Å; Q188-T192 WeakPolarHBondContact O-CG2 3.46Å; Q188-T192 PolarHBondContact O-N 3.17Å; Q188-T192 PolarHBondContact O-OG1 3.19Å |
| 189 | I | 79.4 | Confident | 75.8 | Confident | 93 Ų | 93 | 92.4 Ų | 92.4 | 48% | 0.477 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 172.7 | -70 | 163.3 | 0 | 0 | 0 | 110.2 | R185 R186 T192 S193 | R185-I189 HydrophobicContact CG-CD1 3.91Å; R185-I189 HydrophobicContact CG-CG1 4.49Å; R185-I189 WeakPolarHBondContact O-CB 3.04Å; R185-I189 WeakPolarHBondContact O-CD1 2.99Å; R185-I189 WeakPolarHBondContact O-CG1 3.29Å; R185-I189 PolarHBondContact O-N 3.49Å; R186-I189 PolarHBondContact O-N 3.03Å; I189-T192 WeakPolarHBondContact CA-OG1 3.42Å; I189-T192 PolarHBondContact O-N 3.38Å; I189-T192 PolarHBondContact O-OG1 3.49Å; I189-T192 VanDerWaalsContact O-OG1 3.05Å; I189-S193 WeakPolarHBondContact O-CB 3.39Å; I189-S193 PolarHBondContact O-N 3.18Å; I189-S193 PolarHBondContact O-OG 3.25Å; I189-S193 VanDerWaalsContact O-OG 3.06Å |
| 190 | R | 80.4 | Confident | 76.6 | Confident | 120 Ų | 120 | 99.8 Ų | 99.8 | 45% | 0.453 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.6 | -49.3 | 175.8 | -71.1 | -171.7 | -68.1 | -139.1 | 8.9 | 111.4 | E147 R186 A187 Q188 T192 S193 A194 | E147-R190 VanDerWaalsContact CD-NH1 3.28Å; E147-R190 IonicContact OE1-CZ 3.34Å; E147-R190 IonicContact OE1-NH1 2.94Å; E147-R190 PolarHBondContact OE1-NH1 3.31Å; E147-R190 IonicContact OE1-NH2 3.64Å; E147-R190 PolarHBondContact OE1-NH2 3.34Å; E147-R190 IonicContact OE2-CZ 3.4Å; E147-R190 IonicContact OE2-NH1 2.73Å; E147-R190 PolarHBondContact OE2-NH1 3.01Å; E147-R190 IonicContact OE2-NH2 3.07Å; E147-R190 PolarHBondContact OE2-NH2 2.87Å; R186-R190 WeakPolarHBondContact O-CG 3.35Å; R186-R190 PolarHBondContact O-N 3.2Å; A187-R190 PolarHBondContact O-N 2.88Å; Q188-R190 VanDerWaalsContact C-N 3.35Å; R190-T192 PolarHBondContact O-N 3.37Å; R190-S193 WeakPolarHBondContact CA-OG 3.35Å; R190-S193 PolarHBondContact O-N 2.87Å; R190-S193 PolarHBondContact O-OG 2.97Å; R190-A194 PolarHBondContact O-N 3.27Å |
| 191 | K | 81.1 | Confident | 77.9 | Confident | 154 Ų | 154 | 101 Ų | 101 | 67% | 0.67 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61 | -46.7 | -179.9 | -169.4 | 175.2 | -177.8 | 179.6 | 0 | 112.4 | A187 Q188 S195 | A187-K191 WeakPolarHBondContact O-CB 3.48Å; A187-K191 PolarHBondContact O-N 3.42Å; Q188-K191 PolarHBondContact O-N 2.86Å; K191-S195 PolarHBondContact O-N 3.47Å; K191-S195 VanDerWaalsContact O-N 3.1Å |
| 192 | T | 82.9 | Confident | 79 | Confident | 63 Ų | 63 | 98.8 Ų | 98.8 | 39% | 0.387 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.3 | -37.9 | 177.4 | 52.4 | 0 | 0 | 0 | 0 | 111.9 | Q188 I189 R190 S195 N196 | Q188-T192 HydrophobicContact CG-CG2 4.48Å; Q188-T192 WeakPolarHBondContact O-CB 3.44Å; Q188-T192 WeakPolarHBondContact O-CG2 3.46Å; Q188-T192 PolarHBondContact O-N 3.17Å; Q188-T192 PolarHBondContact O-OG1 3.19Å; I189-T192 WeakPolarHBondContact CA-OG1 3.42Å; I189-T192 PolarHBondContact O-N 3.38Å; I189-T192 PolarHBondContact O-OG1 3.49Å; I189-T192 VanDerWaalsContact O-OG1 3.05Å; R190-T192 PolarHBondContact O-N 3.37Å; T192-S195 PolarHBondContact O-N 2.95Å; T192-N196 VanDerWaalsContact O-CB 3.27Å; T192-N196 WeakPolarHBondContact O-CB 3.48Å; T192-N196 PolarHBondContact O-N 3.25Å; T192-N196 PolarHBondContact O-ND2 3.22Å |
| 193 | S | 84.3 | Confident | 80.2 | Confident | 64 Ų | 64 | 97.1 Ų | 97.1 | 45% | 0.448 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.1 | -39.4 | 177 | 71.6 | 0 | 0 | 0 | 0 | 112.9 | I189 R190 N196 R197 | I189-S193 WeakPolarHBondContact O-CB 3.39Å; I189-S193 PolarHBondContact O-N 3.18Å; I189-S193 PolarHBondContact O-OG 3.25Å; I189-S193 VanDerWaalsContact O-OG 3.06Å; R190-S193 WeakPolarHBondContact CA-OG 3.35Å; R190-S193 PolarHBondContact O-N 2.87Å; R190-S193 PolarHBondContact O-OG 2.97Å; S193-N196 PolarHBondContact O-N 3.46Å; S193-R197 WeakPolarHBondContact O-CB 3.24Å; S193-R197 PolarHBondContact O-N 3.44Å |
| 194 | A | 80.3 | Confident | 81.4 | Confident | 62 Ų | 62 | 101.4 Ų | 101.4 | 51% | 0.512 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.5 | -44.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R190 R197 A198 | R190-A194 PolarHBondContact O-N 3.27Å; A194-R197 PolarHBondContact O-N 3.02Å; A194-A198 PolarHBondContact O-N 2.99Å; A194-A198 VanDerWaalsContact O-N 3.11Å |
| 195 | S | 83.8 | Confident | 82.4 | Confident | 69 Ų | 69 | 102.9 Ų | 102.9 | 48% | 0.483 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.9 | -46.6 | 174.1 | -178.5 | 0 | 0 | 0 | 0 | 111.7 | K191 T192 R197 A198 V199 | K191-S195 PolarHBondContact O-N 3.47Å; K191-S195 VanDerWaalsContact O-N 3.1Å; T192-S195 PolarHBondContact O-N 2.95Å; S195-R197 VanDerWaalsContact C-N 3.33Å; S195-R197 PolarHBondContact O-N 2.85Å; S195-A198 PolarHBondContact O-N 3.18Å; S195-V199 WeakPolarHBondContact O-CG2 3.39Å; S195-V199 PolarHBondContact O-N 2.96Å |
| 196 | N | 85.5 | Confident | 83.1 | Confident | 95 Ų | 95 | 95.4 Ų | 95.4 | 51% | 0.508 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.6 | -36.1 | 178 | -71.8 | -19.8 | 0 | 0 | 0 | 112.5 | T192 S193 V199 R200 | T192-N196 VanDerWaalsContact O-CB 3.27Å; T192-N196 WeakPolarHBondContact O-CB 3.48Å; T192-N196 PolarHBondContact O-N 3.25Å; T192-N196 PolarHBondContact O-ND2 3.22Å; S193-N196 PolarHBondContact O-N 3.46Å; N196-V199 PolarHBondContact O-N 3.07Å; N196-R200 WeakPolarHBondContact O-CB 3.4Å; N196-R200 VanDerWaalsContact O-CG 3.25Å; N196-R200 WeakPolarHBondContact O-CG 3.39Å; N196-R200 PolarHBondContact O-N 3.27Å |
| 197 | R | 87 | Confident | 83.8 | Confident | 178 Ų | 178 | 99.4 Ų | 99.4 | 67% | 0.672 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.7 | -47.9 | 174.2 | -178.6 | 179.6 | -83.1 | -176.2 | -7.2 | 110.9 | S193 A194 S195 V199 R200 E201 | S193-R197 WeakPolarHBondContact O-CB 3.24Å; S193-R197 PolarHBondContact O-N 3.44Å; A194-R197 PolarHBondContact O-N 3.02Å; S195-R197 VanDerWaalsContact C-N 3.33Å; S195-R197 PolarHBondContact O-N 2.85Å; R197-V199 VanDerWaalsContact C-N 3.34Å; R197-V199 PolarHBondContact O-N 3.36Å; R197-R200 PolarHBondContact O-N 2.98Å; R197-E201 WeakPolarHBondContact CG-OE1 3.36Å; R197-E201 WeakPolarHBondContact O-CG 3.28Å; R197-E201 PolarHBondContact O-N 3.34Å |
| 198 | A | 86.8 | Confident | 84.4 | Confident | 43 Ų | 43 | 102.8 Ų | 102.8 | 36% | 0.355 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.8 | -38.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A194 S195 R202 | A194-A198 PolarHBondContact O-N 2.99Å; A194-A198 VanDerWaalsContact O-N 3.11Å; S195-A198 PolarHBondContact O-N 3.18Å; A198-R202 PolarHBondContact O-N 2.91Å; A198-R202 VanDerWaalsContact O-N 3.07Å |
| 199 | V | 85.6 | Confident | 84.8 | Confident | 77 Ų | 77 | 100 Ų | 100 | 47% | 0.467 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 174.5 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | S195 N196 R197 R202 Q203 | S195-V199 WeakPolarHBondContact O-CG2 3.39Å; S195-V199 PolarHBondContact O-N 2.96Å; N196-V199 PolarHBondContact O-N 3.07Å; R197-V199 VanDerWaalsContact C-N 3.34Å; R197-V199 PolarHBondContact O-N 3.36Å; V199-R202 PolarHBondContact O-N 3.1Å; V199-Q203 WeakPolarHBondContact O-CB 3.48Å; V199-Q203 PolarHBondContact O-N 2.62Å |
| 200 | R | 87.2 | Confident | 84.8 | Confident | 186 Ų | 186 | 99.4 Ų | 99.4 | 70% | 0.702 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.9 | -42.5 | 178.4 | -74.8 | 176.1 | 120.2 | 168.1 | 1.1 | 112.5 | N196 R197 R202 Q203 M204 | N196-R200 WeakPolarHBondContact O-CB 3.4Å; N196-R200 VanDerWaalsContact O-CG 3.25Å; N196-R200 WeakPolarHBondContact O-CG 3.39Å; N196-R200 PolarHBondContact O-N 3.27Å; R197-R200 PolarHBondContact O-N 2.98Å; R200-R202 VanDerWaalsContact C-N 3.32Å; R200-R202 PolarHBondContact O-N 3.4Å; R200-Q203 PolarHBondContact O-N 3.42Å; R200-M204 WeakPolarHBondContact O-CB 3.36Å; R200-M204 VanDerWaalsContact O-CG 3.28Å; R200-M204 WeakPolarHBondContact O-CG 3.41Å; R200-M204 PolarHBondContact O-N 2.9Å |
| 201 | E | 89.8 | Confident | 84.7 | Confident | 116 Ų | 116 | 98.1 Ų | 98.1 | 54% | 0.542 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60 | -42.3 | 175.1 | -76.9 | 170.2 | -172.3 | 0 | 0 | 111.5 | R197 M204 L205 | R197-E201 WeakPolarHBondContact CG-OE1 3.36Å; R197-E201 WeakPolarHBondContact O-CG 3.28Å; R197-E201 PolarHBondContact O-N 3.34Å; E201-M204 WeakPolarHBondContact O-CB 3.45Å; E201-M204 PolarHBondContact O-N 3.1Å; E201-L205 PolarHBondContact O-N 3.36Å |
| 202 | R | 82.8 | Confident | 84.6 | Confident | 96 Ų | 96 | 94 Ų | 94 | 36% | 0.362 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.4 | -45.2 | 174.7 | -170.9 | -178.9 | -55.1 | 159.5 | 9.1 | 112.2 | A198 V199 R200 M204 L205 C206 H220 | A198-R202 PolarHBondContact O-N 2.91Å; A198-R202 VanDerWaalsContact O-N 3.07Å; V199-R202 PolarHBondContact O-N 3.1Å; R200-R202 VanDerWaalsContact C-N 3.32Å; R200-R202 PolarHBondContact O-N 3.4Å; R202-M204 PolarHBondContact O-N 2.87Å; R202-L205 PolarHBondContact O-N 2.76Å; R202-C206 WeakPolarHBondContact O-CB 3.08Å; R202-C206 PolarHBondContact O-N 2.9Å; R202-H220 PolarHBondContact NH2-CD2 3.45Å |
| 203 | Q | 88.3 | Confident | 84.1 | Confident | 105 Ų | 105 | 94.3 Ų | 94.3 | 49% | 0.491 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.4 | -34 | -179.6 | -161.2 | 168.4 | 31.2 | 0 | 0 | 111.5 | V199 R200 R207 | V199-Q203 WeakPolarHBondContact O-CB 3.48Å; V199-Q203 PolarHBondContact O-N 2.62Å; R200-Q203 PolarHBondContact O-N 3.42Å; Q203-R207 VanDerWaalsContact O-CG 3.31Å; Q203-R207 WeakPolarHBondContact O-CG 3.38Å; Q203-R207 PolarHBondContact O-N 2.94Å; Q203-R207 VanDerWaalsContact O-N 3.17Å |
| 204 | M | 89.1 | Confident | 83.2 | Confident | 114 Ų | 114 | 95.3 Ų | 95.3 | 56% | 0.562 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.1 | -50.2 | 171.2 | -74.5 | -88.3 | -77.1 | 0 | 0 | 112.1 | R200 E201 R202 C206 R207 Q208 | R200-M204 WeakPolarHBondContact O-CB 3.36Å; R200-M204 VanDerWaalsContact O-CG 3.28Å; R200-M204 WeakPolarHBondContact O-CG 3.41Å; R200-M204 PolarHBondContact O-N 2.9Å; E201-M204 WeakPolarHBondContact O-CB 3.45Å; E201-M204 PolarHBondContact O-N 3.1Å; R202-M204 PolarHBondContact O-N 2.87Å; M204-C206 PolarHBondContact O-N 3.09Å; M204-R207 PolarHBondContact O-N 3.25Å; M204-Q208 WeakPolarHBondContact O-CG 3.36Å; M204-Q208 PolarHBondContact O-N 3.01Å |
| 205 | L | 87.5 | Confident | 82.4 | Confident | 91 Ų | 91 | 95.2 Ų | 95.2 | 48% | 0.476 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.1 | -45 | 178 | -87.1 | 165.2 | 0 | 0 | 0 | 112.3 | E201 R202 R207 Q208 L209 | E201-L205 PolarHBondContact O-N 3.36Å; R202-L205 PolarHBondContact O-N 2.76Å; L205-R207 VanDerWaalsContact C-N 3.33Å; L205-R207 PolarHBondContact O-N 3.49Å; L205-Q208 PolarHBondContact O-N 2.92Å; L205-L209 WeakPolarHBondContact O-CG 3.36Å; L205-L209 PolarHBondContact O-N 2.92Å |
| 206 | C | 83.9 | Confident | 81.5 | Confident | 28 Ų | 28 | 98 Ų | 98 | 19% | 0.189 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -58.3 | -43.5 | 175.4 | -81.9 | 0 | 0 | 0 | 0 | 112.6 | R202 M204 Q208 L209 A210 C217 | R202-C206 WeakPolarHBondContact O-CB 3.08Å; R202-C206 PolarHBondContact O-N 2.9Å; M204-C206 PolarHBondContact O-N 3.09Å; C206-Q208 VanDerWaalsContact C-N 3.33Å; C206-Q208 PolarHBondContact O-N 2.73Å; C206-L209 PolarHBondContact O-N 3.23Å; C206-A210 WeakPolarHBondContact O-CB 3.27Å; C206-A210 PolarHBondContact O-N 2.95Å; C206-C217 HydrophobicContact CB-CB 4.44Å; C206-C217 WeakPolarHBondContact CB-SG 3.47Å; C206-C217 WeakPolarHBondContact SG-CB 3.4Å; C206-C217 CovalentContact SG-SG 2.03Å; C206-C217 PolarHBondContact SG-SG 3.42Å |
| 207 | R | 86.1 | Confident | 80.6 | Confident | 175 Ų | 175 | 96.6 Ų | 96.6 | 66% | 0.66 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.3 | -38.1 | 177.3 | -76.7 | 177.3 | -178.2 | -166.7 | 1 | 111.9 | Q203 M204 L205 A211 | Q203-R207 VanDerWaalsContact O-CG 3.31Å; Q203-R207 WeakPolarHBondContact O-CG 3.38Å; Q203-R207 PolarHBondContact O-N 2.94Å; Q203-R207 VanDerWaalsContact O-N 3.17Å; M204-R207 PolarHBondContact O-N 3.25Å; L205-R207 VanDerWaalsContact C-N 3.33Å; L205-R207 PolarHBondContact O-N 3.49Å; R207-A211 WeakPolarHBondContact O-CB 3.4Å; R207-A211 PolarHBondContact O-N 2.9Å; R207-A211 VanDerWaalsContact O-N 3.1Å |
| 208 | Q | 85.9 | Confident | 79.7 | Confident | 116 Ų | 116 | 91.8 Ų | 91.8 | 54% | 0.542 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.1 | -44.7 | 177.6 | -70.7 | 173.1 | 22.2 | 0 | 0 | 112.1 | M204 L205 C206 A211 A212 | M204-Q208 WeakPolarHBondContact O-CG 3.36Å; M204-Q208 PolarHBondContact O-N 3.01Å; L205-Q208 PolarHBondContact O-N 2.92Å; C206-Q208 VanDerWaalsContact C-N 3.33Å; C206-Q208 PolarHBondContact O-N 2.73Å; Q208-A211 PolarHBondContact O-N 3.29Å; Q208-A212 WeakPolarHBondContact O-CB 3.28Å; Q208-A212 PolarHBondContact O-N 2.93Å |
| 209 | L | 83.3 | Confident | 78.6 | Confident | 56 Ų | 56 | 96.5 Ų | 96.5 | 29% | 0.293 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.9 | -39.9 | 177.4 | -68.8 | 174.2 | 0 | 0 | 0 | 112.4 | L205 C206 A211 A212 G213 T214 | L205-L209 WeakPolarHBondContact O-CG 3.36Å; L205-L209 PolarHBondContact O-N 2.92Å; C206-L209 PolarHBondContact O-N 3.23Å; L209-A211 VanDerWaalsContact C-N 3.33Å; L209-A211 PolarHBondContact O-N 2.98Å; L209-A212 PolarHBondContact O-N 3.38Å; L209-G213 PolarHBondContact O-N 3.27Å; L209-G213 VanDerWaalsContact O-N 3.13Å; L209-T214 PolarHBondContact O-N 2.92Å |
| 210 | A | 79.3 | Confident | 77.1 | Confident | 80 Ų | 80 | 98.5 Ų | 98.5 | 66% | 0.661 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63 | -38.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | C206 | C206-A210 WeakPolarHBondContact O-CB 3.27Å; C206-A210 PolarHBondContact O-N 2.95Å |
| 211 | A | 78.8 | Confident | 75.4 | Confident | 92 Ų | 92 | 95.6 Ų | 95.6 | 76% | 0.76 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -71.3 | -30.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | R207 Q208 L209 | R207-A211 WeakPolarHBondContact O-CB 3.4Å; R207-A211 PolarHBondContact O-N 2.9Å; R207-A211 VanDerWaalsContact O-N 3.1Å; Q208-A211 PolarHBondContact O-N 3.29Å; L209-A211 VanDerWaalsContact C-N 3.33Å; L209-A211 PolarHBondContact O-N 2.98Å |
| 212 | A | 78.9 | Confident | 73.3 | Confident | 67 Ų | 67 | 94.4 Ų | 94.4 | 55% | 0.554 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -0.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | Q208 L209 T214 | Q208-A212 WeakPolarHBondContact O-CB 3.28Å; Q208-A212 PolarHBondContact O-N 2.93Å; L209-A212 PolarHBondContact O-N 3.38Å; A212-T214 PolarHBondContact O-N 3.46Å |
| 213 | G | 71.2 | Confident | 71.5 | Confident | 71 Ų | 71 | 94.7 Ų | 94.7 | 73% | 0.732 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.2 | 14.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L209 | L209-G213 PolarHBondContact O-N 3.27Å; L209-G213 VanDerWaalsContact O-N 3.13Å |
| 214 | T | 67.2 | Low | 69.4 | Low | 85 Ų | 85 | 97.7 Ų | 97.7 | 52% | 0.521 | 62% | 0.615 | S | S | . | * | trans | -111.2 | 95.7 | -173.2 | 33 | 0 | 0 | 0 | 0 | 111.8 | L209 A212 | L209-T214 PolarHBondContact O-N 2.92Å; A212-T214 PolarHBondContact O-N 3.46Å | ||
| 215 | G | 63.3 | Low | 67.3 | Low | 59 Ų | 59 | 95.6 Ų | 95.6 | 61% | 0.608 | 62% | 0.623 | S | S | * | * | trans | 69.2 | 166.8 | 154.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 216 | P | 64.2 | Low | 65 | Low | 128 Ų | 128 | 97.5 Ų | 97.5 | 83% | 0.831 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 152.9 | -177.1 | 29.4 | -32.4 | 0 | 0 | 0 | 113.6 | ||
| 217 | C | 67.4 | Low | 62.7 | Low | 65 Ų | 65 | 101.3 Ų | 101.3 | 44% | 0.439 | 67% | 0.665 | S | S | . | * | P | Polyproline II helix | trans | -57.8 | 139.3 | -179.2 | -73.1 | 0 | 0 | 0 | 0 | 114 | C206 V219 | C206-C217 HydrophobicContact CB-CB 4.44Å; C206-C217 WeakPolarHBondContact CB-SG 3.47Å; C206-C217 WeakPolarHBondContact SG-CB 3.4Å; C206-C217 CovalentContact SG-SG 2.03Å; C206-C217 PolarHBondContact SG-SG 3.42Å; C217-V219 PolarHBondContact O-N 3.05Å |
| 218 | P | 66.6 | Low | 60.5 | Low | 78 Ų | 78 | 98.8 Ų | 98.8 | 51% | 0.506 | 67% | 0.672 | S | S | . | * | P | Polyproline II helix | trans | -69.4 | 129.3 | 175.7 | 23.8 | -29.2 | 0 | 0 | 0 | 112.6 | ||
| 219 | V | 63.8 | Low | 58.3 | Low | 141 Ų | 141 | 97.6 Ų | 97.6 | 86% | 0.855 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 140.7 | 173 | -88.5 | 0 | 0 | 0 | 0 | 111.2 | C217 | C217-V219 PolarHBondContact O-N 3.05Š|
| 220 | H | 54.2 | Low | 56.2 | Low | 120 Ų | 120 | 100.9 Ų | 100.9 | 56% | 0.556 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 144.6 | -174.9 | -134.1 | -104.3 | 0 | 0 | 0 | 112.2 | R202 A222 | R202-H220 PolarHBondContact NH2-CD2 3.45Å; H220-A222 PolarHBondContact O-N 3.09Å |
| 221 | P | 51.3 | Low | 54.5 | Low | 125 Ų | 125 | 101.8 Ų | 101.8 | 81% | 0.812 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 17.9 | -179.1 | 29.7 | -34.3 | 0 | 0 | 0 | 115.7 | ||
| 222 | A | 46.7 | Very low | 52.7 | Low | 90 Ų | 90 | 105.3 Ų | 105.3 | 74% | 0.744 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | 20.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | H220 | H220-A222 PolarHBondContact O-N 3.09Š|
| 223 | S | 44.3 | Very low | 51 | Low | 102 Ų | 102 | 107.6 Ų | 107.6 | 71% | 0.713 | 73% | 0.728 | S | S | * | * | trans | -112.6 | 41 | 174.5 | -172.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 224 | N | 43.6 | Very low | 49.8 | Very low | 168 Ų | 168 | 109.2 Ų | 109.2 | 90% | 0.898 | 73% | 0.734 | S | S | * | * | trans | -103.7 | 85.8 | 162.5 | -92.8 | 8.5 | 0 | 0 | 0 | 108 | ||||
| 225 | G | 45.1 | Very low | 48.6 | Very low | 70 Ų | 70 | 114.4 Ų | 114.4 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | trans | 173.2 | 34.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 226 | T | 39.1 | Very low | 47.7 | Very low | 131 Ų | 131 | 115.8 Ų | 115.8 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | -144.2 | 105 | 159 | -44.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 227 | S | 36.6 | Very low | 46.6 | Very low | 108 Ų | 108 | 121.4 Ų | 121.4 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 136.9 | 171.7 | -68.7 | 0 | 0 | 0 | 0 | 109.9 | A229 | S227-A229 PolarHBondContact O-N 3.41Š|
| 228 | P | 39.2 | Very low | 45.3 | Very low | 123 Ų | 123 | 125.4 Ų | 125.4 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 129.4 | 164.2 | 26.8 | -29.3 | 0 | 0 | 0 | 108 | ||
| 229 | A | 39.7 | Very low | 44 | Very low | 90 Ų | 90 | 133.6 Ų | 133.6 | 74% | 0.744 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 139.7 | 173 | 0 | 0 | 0 | 0 | 0 | 110.1 | S227 A231 | S227-A229 PolarHBondContact O-N 3.41Å; A229-A231 PolarHBondContact O-N 3.06Å |
| 230 | P | 40.8 | Very low | 43 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 129.2 | 178.5 | 25.6 | -29.9 | 0 | 0 | 0 | 109.8 | L232 | P230-L232 PolarHBondContact O-N 3.45Š|
| 231 | A | 43.6 | Very low | 42.4 | Very low | 99 Ų | 99 | 133.9 Ų | 133.9 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 125.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | A229 | A229-A231 PolarHBondContact O-N 3.06Š|
| 232 | L | 40.1 | Very low | 41.9 | Very low | 166 Ų | 166 | 134.4 Ų | 134.4 | 87% | 0.869 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 133 | 168.2 | -78.6 | 161.3 | 0 | 0 | 0 | 109.4 | P230 | P230-L232 PolarHBondContact O-N 3.45Š|
| 233 | P | 43 | Very low | 41.6 | Very low | 116 Ų | 116 | 137 Ų | 137 | 75% | 0.753 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 139.5 | 178.3 | 27.7 | -31 | 0 | 0 | 0 | 111.4 | Q235 | P233-Q235 PolarHBondContact O-N 3.43Š|
| 234 | A | 47 | Very low | 41.5 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 86% | 0.86 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -57 | 120.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 235 | Q | 41.8 | Very low | 41.3 | Very low | 194 Ų | 194 | 137.3 Ų | 137.3 | 91% | 0.907 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 122.2 | 162.3 | -91.4 | -177.1 | -18.8 | 0 | 0 | 109.4 | P233 | P233-Q235 PolarHBondContact O-N 3.43Š|
| 236 | A | 43.1 | Very low | 41.1 | Very low | 88 Ų | 88 | 142.1 Ų | 142.1 | 73% | 0.727 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 132.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | N238 | A236-N238 PolarHBondContact O-N 3.34Š|
| 237 | R | 41.3 | Very low | 41.2 | Very low | 246 Ų | 246 | 142.9 Ų | 142.9 | 93% | 0.928 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -71 | 120.5 | 163.1 | -71.2 | 170.6 | 86.2 | 161.1 | 4 | 107.8 | ||
| 238 | N | 39.9 | Very low | 41.6 | Very low | 150 Ų | 150 | 145.8 Ų | 145.8 | 80% | 0.802 | 86% | 0.86 | S | S | * | * | trans | -120.1 | 141.5 | 154.5 | -96.6 | -58.9 | 0 | 0 | 0 | 107.8 | A236 | A236-N238 PolarHBondContact O-N 3.34Š| ||
| 239 | L | 39.9 | Very low | 41.8 | Very low | 249 Ų | 249 | 147.9 Ų | 147.9 | 100% | 1.304 | 87% | 0.866 | S | S | * | * | trans | 93.6 | 0 | -172.3 | -55.6 | 171.6 | 0 | 0 | 0 | 114.5 |
Retrieved 239 of 239 residues in 1107.6 ms
(Link to these results)