| 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 | 41.1 | Very low | 34.8 | Very low | 240 Ų | 240 | 151.5 Ų | 151.5 | 100% | 1.182 | 83% | 0.828 | S | S | * | * | 0 | 101.6 | 0 | -94.5 | 170.6 | 166.4 | 0 | 0 | 108.5 | |||||
| 2 | T | 36.8 | Very low | 35.3 | Very low | 126 Ų | 126 | 149.5 Ų | 149.5 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | trans | 3.8 | 115.9 | 148.9 | 44.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 3 | T | 35.9 | Very low | 35.7 | Very low | 122 Ų | 122 | 142.9 Ų | 142.9 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | 66.7 | 105.6 | 83.7 | 56.2 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 4 | M | 33.7 | Very low | 35.9 | Very low | 164 Ų | 164 | 139.9 Ų | 139.9 | 81% | 0.808 | 82% | 0.815 | S | S | * | * | 82.2 | 117.2 | 96.5 | -70.4 | -155.4 | 112.7 | 0 | 0 | 117.5 | |||||
| 5 | Q | 35.5 | Very low | 35.9 | Very low | 177 Ų | 177 | 135.1 Ų | 135.1 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | 57.3 | 125.1 | 125.3 | -145.9 | 174.2 | 1.6 | 0 | 0 | 122.1 | |||||
| 6 | G | 31.3 | Very low | 36.2 | Very low | 72 Ų | 72 | 134.8 Ų | 134.8 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | trans | 109.7 | 113.3 | 131.9 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 7 | M | 32.9 | Very low | 36.5 | Very low | 173 Ų | 173 | 131.2 Ų | 131.2 | 85% | 0.852 | 81% | 0.808 | S | S | * | * | 80.7 | 130.2 | 129.1 | -137.1 | 157.3 | 178.8 | 0 | 0 | 123.2 | |||||
| 8 | E | 32.5 | Very low | 37.1 | Very low | 142 Ų | 142 | 131.1 Ų | 131.1 | 66% | 0.664 | 81% | 0.806 | S | S | * | * | trans | 80.3 | 114.1 | 146.7 | -91.5 | 173.4 | 102.7 | 0 | 0 | 124.2 | ||||
| 9 | Q | 36.3 | Very low | 37.4 | Very low | 178 Ų | 178 | 130.7 Ų | 130.7 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | 43.3 | 121.9 | 131.4 | -70.7 | -170.8 | -12.5 | 0 | 0 | 121.2 | ||||
| 10 | A | 29.9 | Very low | 38 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | -163.8 | 117.1 | 120 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 11 | M | 36.8 | Very low | 38.5 | Very low | 174 Ų | 174 | 133.1 Ų | 133.1 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | trans | -84.7 | 143.4 | 151 | -168.7 | -164.8 | -84.7 | 0 | 0 | 106.8 | ||||
| 12 | P | 41.2 | Very low | 38.9 | Very low | 127 Ų | 127 | 123.9 Ų | 123.9 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | -137.9 | 115 | 107.9 | 29.5 | -13.4 | 0 | 0 | 0 | 108.4 | |||||
| 13 | G | 39.8 | Very low | 39.8 | Very low | 64 Ų | 64 | 122 Ų | 122 | 66% | 0.66 | 76% | 0.755 | S | S | * | * | 107.8 | 91.8 | 84.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 14 | A | 38.3 | Very low | 40.5 | Very low | 100 Ų | 100 | 123.2 Ų | 123.2 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | trans | -130.7 | 111.5 | 160.8 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 15 | G | 36.8 | Very low | 41.7 | Very low | 68 Ų | 68 | 117.8 Ų | 117.8 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | trans | -61.5 | 170.1 | -163.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | G17 | G15-G17 PolarHBondContact O-N 3.25Š| ||
| 16 | P | 41.1 | Very low | 43 | Very low | 131 Ų | 131 | 112.8 Ų | 112.8 | 85% | 0.851 | 72% | 0.721 | S | S | * | * | trans | -68.3 | 109.3 | 173.7 | 20.4 | -15.1 | 0 | 0 | 0 | 108.4 | V18 | P16-V18 PolarHBondContact O-N 3.33Å; P16-V18 VanDerWaalsContact O-N 3.13Å | ||
| 17 | G | 39.9 | Very low | 44.6 | Very low | 74 Ų | 74 | 114.1 Ų | 114.1 | 76% | 0.763 | 71% | 0.71 | S | S | * | * | trans | -53.6 | 116.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | G15 | G15-G17 PolarHBondContact O-N 3.25Š| ||
| 18 | V | 47.1 | Very low | 46.1 | Very low | 129 Ų | 129 | 111.7 Ų | 111.7 | 78% | 0.782 | 70% | 0.696 | S | S | * | * | trans | -48.1 | 134.8 | 172.9 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | P16 Q20 | P16-V18 PolarHBondContact O-N 3.33Å; P16-V18 VanDerWaalsContact O-N 3.13Å; V18-Q20 PolarHBondContact O-N 3.12Å; V18-Q20 VanDerWaalsContact O-N 3.1Å | ||
| 19 | P | 44.4 | Very low | 47.6 | Very low | 123 Ų | 123 | 108 Ų | 108 | 80% | 0.799 | 69% | 0.687 | S | S | * | * | trans | -65.8 | 114.7 | 176.7 | -17.1 | 30 | 0 | 0 | 0 | 111.5 | L21 | P19-L21 PolarHBondContact O-N 2.83Š| ||
| 20 | Q | 49.4 | Very low | 49.4 | Very low | 150 Ų | 150 | 107.6 Ų | 107.6 | 70% | 0.701 | 68% | 0.679 | S | S | * | * | trans | -0.8 | 99.4 | 156 | -72.6 | -114.1 | 61.8 | 0 | 0 | 117.9 | V18 G22 N23 | V18-Q20 PolarHBondContact O-N 3.12Å; V18-Q20 VanDerWaalsContact O-N 3.1Å; Q20-G22 PolarHBondContact O-N 3.02Å; Q20-N23 HydrophobicContact CB-CB 4.29Å | ||
| 21 | L | 48.2 | Very low | 51.3 | Low | 162 Ų | 162 | 108.7 Ų | 108.7 | 85% | 0.848 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -16.8 | 162.7 | -171.1 | 61.7 | 0 | 0 | 0 | 112.8 | P19 N23 | P19-L21 PolarHBondContact O-N 2.83Å; L21-N23 VanDerWaalsContact C-N 3.35Å |
| 22 | G | 48.9 | Very low | 52.7 | Low | 47 Ų | 47 | 107.3 Ų | 107.3 | 49% | 0.485 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -75.4 | -16.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115 | Q20 | Q20-G22 PolarHBondContact O-N 3.02Å |
| 23 | N | 56.2 | Low | 53.9 | Low | 86 Ų | 86 | 108 Ų | 108 | 46% | 0.46 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -83.1 | -20.5 | -176 | -147.4 | 39 | 0 | 0 | 0 | 112.8 | Q20 L21 I27 | Q20-N23 HydrophobicContact CB-CB 4.29Å; L21-N23 VanDerWaalsContact C-N 3.35Å; N23-I27 WeakPolarHBondContact O-CB 3.14Å; N23-I27 VanDerWaalsContact O-CG1 3.23Å; N23-I27 WeakPolarHBondContact O-CG1 3.32Å; N23-I27 PolarHBondContact O-N 2.84Å |
| 24 | M | 50.3 | Low | 55.1 | Low | 148 Ų | 148 | 106.1 Ų | 106.1 | 73% | 0.729 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -75.1 | -39.2 | -176.4 | -165.8 | 149.7 | -143.3 | 0 | 0 | 112.7 | H28 | M24-H28 WeakPolarHBondContact O-CB 3.43Å; M24-H28 PolarHBondContact O-N 2.86Å |
| 25 | G | 58.1 | Low | 56.2 | Low | 50 Ų | 50 | 105.9 Ų | 105.9 | 52% | 0.515 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.5 | -35.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S29 | G25-S29 WeakPolarHBondContact O-CB 3.38Å; G25-S29 PolarHBondContact O-N 2.71Å |
| 26 | V | 64.4 | Low | 57.4 | Low | 72 Ų | 72 | 105.8 Ų | 105.8 | 44% | 0.436 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -71 | -45.6 | 178.4 | 176.7 | 0 | 0 | 0 | 0 | 110.9 | H28 S29 Y30 | V26-H28 PolarHBondContact O-N 2.83Å; V26-S29 WeakPolarHBondContact O-CB 3.45Å; V26-S29 PolarHBondContact O-N 2.94Å; V26-Y30 HydrophobicContact CG1-CD2 3.75Å; V26-Y30 HydrophobicContact CG1-CE2 3.39Å; V26-Y30 WeakPolarHBondContact O-CD2 3.32Å; V26-Y30 PolarHBondContact O-N 2.93Å |
| 27 | I | 64.1 | Low | 58.5 | Low | 99 Ų | 99 | 105.1 Ų | 105.1 | 51% | 0.508 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.3 | -42.5 | 175.3 | -69.5 | 171.3 | 0 | 0 | 0 | 111 | N23 S29 Y30 L31 | N23-I27 WeakPolarHBondContact O-CB 3.14Å; N23-I27 VanDerWaalsContact O-CG1 3.23Å; N23-I27 WeakPolarHBondContact O-CG1 3.32Å; N23-I27 PolarHBondContact O-N 2.84Å; I27-S29 VanDerWaalsContact C-N 3.3Å; I27-S29 PolarHBondContact O-N 2.75Å; I27-Y30 PolarHBondContact O-N 3.24Å; I27-L31 VanDerWaalsContact O-CB 3.27Å; I27-L31 WeakPolarHBondContact O-CB 3.37Å; I27-L31 PolarHBondContact O-N 3.43Å |
| 28 | H | 64.8 | Low | 59.6 | Low | 122 Ų | 122 | 109.5 Ų | 109.5 | 57% | 0.565 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.5 | -39.1 | 176.5 | -171.8 | -100.4 | 0 | 0 | 0 | 111.9 | M24 V26 L31 W32 | M24-H28 WeakPolarHBondContact O-CB 3.43Å; M24-H28 PolarHBondContact O-N 2.86Å; V26-H28 PolarHBondContact O-N 2.83Å; H28-L31 PolarHBondContact O-N 3.2Å; H28-W32 WeakPolarHBondContact O-CB 3.36Å; H28-W32 PolarHBondContact O-N 3.41Å |
| 29 | S | 64.5 | Low | 60 | Low | 66 Ų | 66 | 107.3 Ų | 107.3 | 46% | 0.462 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.3 | -47.2 | 175.1 | 178.3 | 0 | 0 | 0 | 0 | 112.5 | G25 V26 I27 L31 W32 K33 | G25-S29 WeakPolarHBondContact O-CB 3.38Å; G25-S29 PolarHBondContact O-N 2.71Å; V26-S29 WeakPolarHBondContact O-CB 3.45Å; V26-S29 PolarHBondContact O-N 2.94Å; I27-S29 VanDerWaalsContact C-N 3.3Å; I27-S29 PolarHBondContact O-N 2.75Å; S29-L31 VanDerWaalsContact C-N 3.34Å; S29-L31 PolarHBondContact O-N 3.09Å; S29-W32 PolarHBondContact O-N 3.18Å; S29-K33 WeakPolarHBondContact O-CB 3.29Å; S29-K33 PolarHBondContact O-N 3.3Å |
| 30 | Y | 74 | Confident | 60.6 | Low | 168 Ų | 168 | 103.3 Ų | 103.3 | 66% | 0.659 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66 | -36.8 | 176.6 | -74 | -68 | 0 | 0 | 0 | 112.5 | V26 I27 G34 | V26-Y30 HydrophobicContact CG1-CD2 3.75Å; V26-Y30 HydrophobicContact CG1-CE2 3.39Å; V26-Y30 WeakPolarHBondContact O-CD2 3.32Å; V26-Y30 PolarHBondContact O-N 2.93Å; I27-Y30 PolarHBondContact O-N 3.24Å; Y30-G34 PolarHBondContact O-N 3.4Å |
| 31 | L | 69.5 | Low | 61.1 | Low | 122 Ų | 122 | 104 Ų | 104 | 64% | 0.639 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.9 | -44.5 | 176.9 | -169.8 | 72.9 | 0 | 0 | 0 | 111.4 | I27 H28 S29 G34 L35 | I27-L31 VanDerWaalsContact O-CB 3.27Å; I27-L31 WeakPolarHBondContact O-CB 3.37Å; I27-L31 PolarHBondContact O-N 3.43Å; H28-L31 PolarHBondContact O-N 3.2Å; S29-L31 VanDerWaalsContact C-N 3.34Å; S29-L31 PolarHBondContact O-N 3.09Å; L31-G34 PolarHBondContact O-N 3.5Å; L31-L35 VanDerWaalsContact O-CB 3.26Å; L31-L35 WeakPolarHBondContact O-CB 3.26Å; L31-L35 PolarHBondContact O-N 2.82Å |
| 32 | W | 66.4 | Low | 61.5 | Low | 146 Ų | 146 | 97.8 Ų | 97.8 | 55% | 0.553 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.1 | -46.8 | 174.9 | -177.5 | -93.9 | 0 | 0 | 0 | 111.3 | H28 S29 G34 L35 Q36 | H28-W32 WeakPolarHBondContact O-CB 3.36Å; H28-W32 PolarHBondContact O-N 3.41Å; S29-W32 PolarHBondContact O-N 3.18Å; W32-G34 VanDerWaalsContact C-N 3.35Å; W32-G34 PolarHBondContact O-N 2.87Å; W32-L35 PolarHBondContact O-N 3.04Å; W32-Q36 WeakPolarHBondContact O-CB 3.13Å; W32-Q36 WeakPolarHBondContact O-CG 3.17Å; W32-Q36 PolarHBondContact O-N 3.11Å |
| 33 | K | 64.9 | Low | 62.4 | Low | 140 Ų | 140 | 100.4 Ų | 100.4 | 61% | 0.609 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.9 | -39.2 | 179.3 | -157 | 174.3 | -171.2 | 178.7 | 0 | 111.5 | S29 E37 | S29-K33 WeakPolarHBondContact O-CB 3.29Å; S29-K33 PolarHBondContact O-N 3.3Å; K33-E37 WeakPolarHBondContact O-CB 3.27Å; K33-E37 PolarHBondContact O-N 2.86Å |
| 34 | G | 65.9 | Low | 63.5 | Low | 25 Ų | 25 | 98.4 Ų | 98.4 | 26% | 0.258 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -72.1 | -35.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y30 L31 W32 E37 K38 | Y30-G34 PolarHBondContact O-N 3.4Å; L31-G34 PolarHBondContact O-N 3.5Å; W32-G34 VanDerWaalsContact C-N 3.35Å; W32-G34 PolarHBondContact O-N 2.87Å; G34-E37 PolarHBondContact O-N 3.25Å; G34-K38 WeakPolarHBondContact O-CB 3.4Å; G34-K38 VanDerWaalsContact O-CG 3.3Å; G34-K38 WeakPolarHBondContact O-CG 3.43Å; G34-K38 PolarHBondContact O-N 2.91Å |
| 35 | L | 61.7 | Low | 65.3 | Low | 95 Ų | 95 | 95.4 Ų | 95.4 | 50% | 0.497 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.9 | -50.4 | 171.2 | -171 | 172.6 | 0 | 0 | 0 | 109 | L31 W32 E37 K38 F39 | L31-L35 VanDerWaalsContact O-CB 3.26Å; L31-L35 WeakPolarHBondContact O-CB 3.26Å; L31-L35 PolarHBondContact O-N 2.82Å; W32-L35 PolarHBondContact O-N 3.04Å; L35-E37 PolarHBondContact O-N 3.45Å; L35-K38 PolarHBondContact O-N 3.5Å; L35-F39 HydrophobicContact CD2-CB 4.19Å; L35-F39 HydrophobicContact CD2-CD2 4.28Å; L35-F39 VanDerWaalsContact O-CB 3.22Å; L35-F39 WeakPolarHBondContact O-CB 3.35Å; L35-F39 PolarHBondContact O-N 3.31Å |
| 36 | Q | 61.8 | Low | 66.9 | Low | 66 Ų | 66 | 96.1 Ų | 96.1 | 31% | 0.308 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -56.2 | -48.9 | 174.4 | -75.5 | -164.2 | -41 | 0 | 0 | 110.9 | W32 K38 F39 L40 | W32-Q36 WeakPolarHBondContact O-CB 3.13Å; W32-Q36 WeakPolarHBondContact O-CG 3.17Å; W32-Q36 PolarHBondContact O-N 3.11Å; Q36-K38 VanDerWaalsContact C-N 3.31Å; Q36-K38 PolarHBondContact O-N 2.92Å; Q36-F39 PolarHBondContact O-N 2.85Å; Q36-L40 HydrophobicContact CB-CD1 3.99Å; Q36-L40 WeakPolarHBondContact O-CB 3.34Å; Q36-L40 VanDerWaalsContact O-CD1 3.26Å; Q36-L40 WeakPolarHBondContact O-CD1 3.38Å; Q36-L40 WeakPolarHBondContact O-CG 3.28Å; Q36-L40 PolarHBondContact O-N 3.42Å |
| 37 | E | 63.9 | Low | 68.2 | Low | 118 Ų | 118 | 93.4 Ų | 93.4 | 55% | 0.551 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -60.5 | -37.7 | 178.1 | -117 | -174.6 | 148.3 | 0 | 0 | 113.5 | K33 G34 L35 K41 | K33-E37 WeakPolarHBondContact O-CB 3.27Å; K33-E37 PolarHBondContact O-N 2.86Å; G34-E37 PolarHBondContact O-N 3.25Å; L35-E37 PolarHBondContact O-N 3.45Å; E37-K41 WeakPolarHBondContact O-CB 3.34Å; E37-K41 WeakPolarHBondContact O-CG 3.31Å; E37-K41 PolarHBondContact O-N 2.84Å |
| 38 | K | 63.4 | Low | 69.7 | Low | 166 Ų | 166 | 88.7 Ų | 88.7 | 72% | 0.722 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -73.3 | -38.1 | 176.3 | -73.9 | -177.6 | 179.4 | -173.3 | 0 | 112.3 | G34 L35 Q36 K41 G42 | G34-K38 WeakPolarHBondContact O-CB 3.4Å; G34-K38 VanDerWaalsContact O-CG 3.3Å; G34-K38 WeakPolarHBondContact O-CG 3.43Å; G34-K38 PolarHBondContact O-N 2.91Å; L35-K38 PolarHBondContact O-N 3.5Å; Q36-K38 VanDerWaalsContact C-N 3.31Å; Q36-K38 PolarHBondContact O-N 2.92Å; K38-K41 CarbonylContact O-C 3.59Å; K38-K41 PolarHBondContact O-N 2.8Å; K38-G42 PolarHBondContact O-N 3.28Å |
| 39 | F | 56.1 | Low | 71.2 | Confident | 83 Ų | 83 | 86 Ų | 86 | 36% | 0.364 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -70.3 | -35.9 | 177 | -152.6 | -89.1 | 0 | 0 | 0 | 111.4 | L35 Q36 G42 V46 L47 | L35-F39 HydrophobicContact CD2-CB 4.19Å; L35-F39 HydrophobicContact CD2-CD2 4.28Å; L35-F39 VanDerWaalsContact O-CB 3.22Å; L35-F39 WeakPolarHBondContact O-CB 3.35Å; L35-F39 PolarHBondContact O-N 3.31Å; Q36-F39 PolarHBondContact O-N 2.85Å; F39-G42 CarbonylContact O-C 3.24Å; F39-G42 VanDerWaalsContact O-C 3.24Å; F39-G42 VanDerWaalsContact O-CA 3.25Å; F39-G42 WeakPolarHBondContact O-CA 3.4Å; F39-G42 PolarHBondContact O-N 3.4Å; F39-G42 VanDerWaalsContact O-N 3.07Å; F39-V46 HydrophobicContact CE1-CB 4.46Å; F39-V46 HydrophobicContact CE1-CG1 3.85Å; F39-V46 HydrophobicContact CE2-CG1 4.45Å; F39-V46 HydrophobicContact CZ-CG1 3.64Å; F39-L47 HydrophobicContact CD1-CD2 3.8Å; F39-L47 HydrophobicContact CD1-CG 4.02Å; F39-L47 HydrophobicContact CE1-CD2 3.5Å; F39-L47 VanDerWaalsContact CE1-CD2 3.5Å; F39-L47 HydrophobicContact CE1-CG 3.87Å |
| 40 | L | 55.9 | Low | 72.7 | Confident | 39 Ų | 39 | 85 Ų | 85 | 20% | 0.204 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -78.9 | -28.2 | 175.8 | -66.6 | 165.4 | 0 | 0 | 0 | 112.3 | Q36 L47 F186 | Q36-L40 HydrophobicContact CB-CD1 3.99Å; Q36-L40 WeakPolarHBondContact O-CB 3.34Å; Q36-L40 VanDerWaalsContact O-CD1 3.26Å; Q36-L40 WeakPolarHBondContact O-CD1 3.38Å; Q36-L40 WeakPolarHBondContact O-CG 3.28Å; Q36-L40 PolarHBondContact O-N 3.42Å; L40-L47 HydrophobicContact CD2-CD1 3.48Å; L40-L47 VanDerWaalsContact CD2-CD1 3.48Å; L40-F186 HydrophobicContact CB-CE1 3.94Å; L40-F186 HydrophobicContact CB-CE2 3.91Å; L40-F186 HydrophobicContact CB-CZ 3.35Å; L40-F186 HydrophobicContact CD1-CE2 3.4Å; L40-F186 VanDerWaalsContact CD1-CE2 3.4Å; L40-F186 HydrophobicContact CD1-CZ 3.42Å; L40-F186 VanDerWaalsContact CD1-CZ 3.42Å; L40-F186 HydrophobicContact CD2-CD2 3.61Å; L40-F186 HydrophobicContact CD2-CE1 4.34Å; L40-F186 HydrophobicContact CD2-CE2 3.02Å; L40-F186 HydrophobicContact CD2-CZ 3.47Å; L40-F186 VanDerWaalsContact CD2-CZ 3.47Å; L40-F186 HydrophobicContact CG-CE1 4.47Å; L40-F186 HydrophobicContact CG-CE2 3.51Å; L40-F186 HydrophobicContact CG-CZ 3.49Å; L40-F186 VanDerWaalsContact CG-CZ 3.49Å |
| 41 | K | 59.4 | Low | 73.7 | Confident | 164 Ų | 164 | 77 Ų | 77 | 71% | 0.713 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -67.2 | -23.1 | 160.9 | -81.9 | 171.4 | 175.7 | 174.4 | 0 | 112 | E37 K38 E43 | E37-K41 WeakPolarHBondContact O-CB 3.34Å; E37-K41 WeakPolarHBondContact O-CG 3.31Å; E37-K41 PolarHBondContact O-N 2.84Å; K38-K41 CarbonylContact O-C 3.59Å; K38-K41 PolarHBondContact O-N 2.8Å; K41-E43 VanDerWaalsContact C-N 3.28Å; K41-E43 PolarHBondContact O-N 3.42Å |
| 42 | G | 57.8 | Low | 75.1 | Confident | 32 Ų | 32 | 73.1 Ų | 73.1 | 33% | 0.33 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -87.5 | 48.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | K38 F39 V46 | K38-G42 PolarHBondContact O-N 3.28Å; F39-G42 CarbonylContact O-C 3.24Å; F39-G42 VanDerWaalsContact O-C 3.24Å; F39-G42 VanDerWaalsContact O-CA 3.25Å; F39-G42 WeakPolarHBondContact O-CA 3.4Å; F39-G42 PolarHBondContact O-N 3.4Å; F39-G42 VanDerWaalsContact O-N 3.07Å; G42-V46 VanDerWaalsContact O-CG2 3.29Å; G42-V46 WeakPolarHBondContact O-CG2 3.49Å |
| 43 | E | 68.2 | Low | 76.6 | Confident | 101 Ų | 101 | 70.3 Ų | 70.3 | 47% | 0.472 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | 54.5 | 141.9 | 169.8 | -63.5 | -176.5 | 159.3 | 0 | 0 | 118.9 | K41 K45 V46 | K41-E43 VanDerWaalsContact C-N 3.28Å; K41-E43 PolarHBondContact O-N 3.42Å; E43-K45 HydrophobicContact CB-CB 3.98Å; E43-K45 PolarHBondContact O-N 3.35Å; E43-V46 PolarHBondContact O-N 2.86Å; E43-V46 VanDerWaalsContact O-N 3.15Å |
| 44 | P | 78.8 | Confident | 78.1 | Confident | 45 Ų | 45 | 64 Ų | 64 | 29% | 0.292 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.7 | -14.8 | 169.2 | 24 | -32.5 | 0 | 0 | 0 | 113.4 | G48 L183 | P44-G48 PolarHBondContact O-N 3.35Å; P44-L183 HydrophobicContact CB-CD2 3.63Å |
| 45 | K | 88.4 | Confident | 79.6 | Confident | 85 Ų | 85 | 62.8 Ų | 62.8 | 37% | 0.37 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -57.2 | -49.6 | 172.2 | -177.5 | -177.6 | 175.9 | -176.5 | 0 | 113.1 | E43 G48 V49 V100 I104 | E43-K45 HydrophobicContact CB-CB 3.98Å; E43-K45 PolarHBondContact O-N 3.35Å; K45-G48 PolarHBondContact O-N 3.42Å; K45-V49 WeakPolarHBondContact O-CG2 3.33Å; K45-V49 PolarHBondContact O-N 3.01Å; K45-V100 HydrophobicContact CG-CG1 4.39Å; K45-I104 HydrophobicContact CD-CG1 4.03Å; K45-I104 HydrophobicContact CG-CG1 4.44Å |
| 46 | V | 91.1 | Very high | 81.3 | Confident | 65 Ų | 65 | 62.4 Ų | 62.4 | 39% | 0.394 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.2 | -45 | -175.3 | 177.5 | 0 | 0 | 0 | 0 | 110.2 | F39 G42 E43 G48 V49 V50 | F39-V46 HydrophobicContact CE1-CB 4.46Å; F39-V46 HydrophobicContact CE1-CG1 3.85Å; F39-V46 HydrophobicContact CE2-CG1 4.45Å; F39-V46 HydrophobicContact CZ-CG1 3.64Å; G42-V46 VanDerWaalsContact O-CG2 3.29Å; G42-V46 WeakPolarHBondContact O-CG2 3.49Å; E43-V46 PolarHBondContact O-N 2.86Å; E43-V46 VanDerWaalsContact O-N 3.15Å; V46-G48 VanDerWaalsContact C-N 3.31Å; V46-G48 PolarHBondContact O-N 2.75Å; V46-V49 WeakPolarHBondContact O-CB 3.27Å; V46-V49 PolarHBondContact O-N 3.45Å; V46-V49 VanDerWaalsContact O-N 3.15Å; V46-V50 WeakPolarHBondContact O-CG2 3.34Å; V46-V50 PolarHBondContact O-N 3.03Å |
| 47 | L | 91.9 | Very high | 82.9 | Confident | 14 Ų | 14 | 64.1 Ų | 64.1 | 7% | 0.073 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.1 | -40.6 | 175.6 | -75.3 | 174.5 | 0 | 0 | 0 | 112.3 | F39 L40 V49 V50 Q51 I179 L183 | F39-L47 HydrophobicContact CD1-CD2 3.8Å; F39-L47 HydrophobicContact CD1-CG 4.02Å; F39-L47 HydrophobicContact CE1-CD2 3.5Å; F39-L47 VanDerWaalsContact CE1-CD2 3.5Å; F39-L47 HydrophobicContact CE1-CG 3.87Å; L40-L47 HydrophobicContact CD2-CD1 3.48Å; L40-L47 VanDerWaalsContact CD2-CD1 3.48Å; L47-V49 VanDerWaalsContact C-N 3.35Å; L47-V49 PolarHBondContact O-N 3.49Å; L47-V50 PolarHBondContact O-N 2.88Å; L47-V50 VanDerWaalsContact O-N 3.16Å; L47-Q51 PolarHBondContact O-N 3.47Å; L47-I179 HydrophobicContact CB-CG2 4.03Å; L47-I179 HydrophobicContact CD2-CG1 4.14Å; L47-I179 HydrophobicContact CD2-CG2 4.01Å; L47-L183 HydrophobicContact CB-CD1 4.05Å; L47-L183 HydrophobicContact CB-CD2 3.85Å; L47-L183 HydrophobicContact CB-CG 4.04Å; L47-L183 HydrophobicContact CD1-CD2 3.98Å; L47-L183 HydrophobicContact CD1-CG 4.13Å |
| 48 | G | 94.8 | Very high | 84.4 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.4 | -39.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | P44 K45 V46 V50 Q51 I52 G96 V100 | P44-G48 PolarHBondContact O-N 3.35Å; K45-G48 PolarHBondContact O-N 3.42Å; V46-G48 VanDerWaalsContact C-N 3.31Å; V46-G48 PolarHBondContact O-N 2.75Å; G48-V50 VanDerWaalsContact C-N 3.32Å; G48-V50 PolarHBondContact O-N 3.46Å; G48-Q51 PolarHBondContact O-N 3.36Å; G48-I52 WeakPolarHBondContact O-CG1 3.46Å; G48-I52 PolarHBondContact O-N 3.46Å; G48-I52 VanDerWaalsContact O-N 3.17Å; G48-G96 WeakPolarHBondContact O-CA 3.17Å; G48-V100 VanDerWaalsContact C-CG2 3.5Å |
| 49 | V | 96 | Very high | 85.9 | Confident | 65 Ų | 65 | 52.7 Ų | 52.7 | 39% | 0.394 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 173.3 | 175 | 0 | 0 | 0 | 0 | 110.7 | K45 V46 L47 Q51 I52 L53 V100 | K45-V49 WeakPolarHBondContact O-CG2 3.33Å; K45-V49 PolarHBondContact O-N 3.01Å; V46-V49 WeakPolarHBondContact O-CB 3.27Å; V46-V49 PolarHBondContact O-N 3.45Å; V46-V49 VanDerWaalsContact O-N 3.15Å; L47-V49 VanDerWaalsContact C-N 3.35Å; L47-V49 PolarHBondContact O-N 3.49Å; V49-Q51 PolarHBondContact O-N 3.36Å; V49-I52 PolarHBondContact O-N 2.99Å; V49-L53 HydrophobicContact CG1-CD1 4.26Å; V49-L53 HydrophobicContact CG1-CG 4.45Å; V49-L53 WeakPolarHBondContact O-CG 3.22Å; V49-L53 PolarHBondContact O-N 3.17Å; V49-V100 HydrophobicContact CG2-CG2 3.8Å |
| 50 | V | 96 | Very high | 87.6 | Confident | 46 Ų | 46 | 51.6 Ų | 51.6 | 28% | 0.279 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.7 | -40.4 | 177.4 | 179.3 | 0 | 0 | 0 | 0 | 111.4 | V46 L47 G48 I52 L53 I54 I179 | V46-V50 WeakPolarHBondContact O-CG2 3.34Å; V46-V50 PolarHBondContact O-N 3.03Å; L47-V50 PolarHBondContact O-N 2.88Å; L47-V50 VanDerWaalsContact O-N 3.16Å; G48-V50 VanDerWaalsContact C-N 3.32Å; G48-V50 PolarHBondContact O-N 3.46Å; V50-I52 VanDerWaalsContact C-N 3.31Å; V50-I52 PolarHBondContact O-N 3.13Å; V50-L53 PolarHBondContact O-N 2.8Å; V50-I54 HydrophobicContact CG1-CD1 3.8Å; V50-I54 HydrophobicContact CG1-CG1 4.24Å; V50-I54 WeakPolarHBondContact O-CB 3.16Å; V50-I54 VanDerWaalsContact O-CG1 3.3Å; V50-I54 WeakPolarHBondContact O-CG1 3.26Å; V50-I54 PolarHBondContact O-N 3.44Å; V50-I179 HydrophobicContact CB-CD1 4.24Å; V50-I179 HydrophobicContact CG1-CD1 3.55Å |
| 51 | Q | 96.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.9 | -44.2 | 172.9 | -69.2 | -175.5 | -66.4 | 0 | 0 | 111.7 | L47 G48 V49 L53 I54 A55 S99 N118 E176 I179 L183 | L47-Q51 PolarHBondContact O-N 3.47Å; G48-Q51 PolarHBondContact O-N 3.36Å; V49-Q51 PolarHBondContact O-N 3.36Å; Q51-L53 PolarHBondContact O-N 2.88Å; Q51-I54 PolarHBondContact O-N 3.48Å; Q51-A55 WeakPolarHBondContact O-CB 3.4Å; Q51-A55 PolarHBondContact O-N 3.07Å; Q51-S99 PolarHBondContact OE1-OG 3.34Å; Q51-N118 PolarHBondContact NE2-OD1 2.95Å; Q51-N118 PolarHBondContact OE1-OD1 2.92Å; Q51-E176 WeakPolarHBondContact CG-OE2 3.36Å; Q51-E176 PolarHBondContact NE2-OE1 2.93Å; Q51-I179 HydrophobicContact CG-CB 4.34Å; Q51-I179 HydrophobicContact CG-CG2 3.48Å; Q51-I179 VanDerWaalsContact CG-CG2 3.48Å; Q51-L183 HydrophobicContact CG-CD1 4.37Å |
| 52 | I | 98.1 | Very high | 90.7 | Very high | 41 Ų | 41 | 44.9 Ų | 44.9 | 21% | 0.21 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.5 | -44.2 | 177.7 | -63.5 | 167.5 | 0 | 0 | 0 | 110.6 | G48 V49 V50 A55 L56 V100 | G48-I52 WeakPolarHBondContact O-CG1 3.46Å; G48-I52 PolarHBondContact O-N 3.46Å; G48-I52 VanDerWaalsContact O-N 3.17Å; V49-I52 PolarHBondContact O-N 2.99Å; V50-I52 VanDerWaalsContact C-N 3.31Å; V50-I52 PolarHBondContact O-N 3.13Å; I52-A55 WeakPolarHBondContact O-CB 3.41Å; I52-A55 PolarHBondContact O-N 2.91Å; I52-L56 HydrophobicContact CG2-CD1 4.03Å; I52-L56 HydrophobicContact CG2-CG 4.38Å; I52-L56 VanDerWaalsContact O-CG 3.3Å; I52-L56 WeakPolarHBondContact O-CG 3.48Å; I52-L56 PolarHBondContact O-N 3.35Å; I52-V100 HydrophobicContact CD1-CG2 4.21Å |
| 53 | L | 97.9 | Very high | 92.2 | Very high | 86 Ų | 86 | 47.7 Ų | 47.7 | 45% | 0.45 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 178 | -67.7 | 175.4 | 0 | 0 | 0 | 111.8 | V49 V50 Q51 A55 L56 M57 | V49-L53 HydrophobicContact CG1-CD1 4.26Å; V49-L53 HydrophobicContact CG1-CG 4.45Å; V49-L53 WeakPolarHBondContact O-CG 3.22Å; V49-L53 PolarHBondContact O-N 3.17Å; V50-L53 PolarHBondContact O-N 2.8Å; Q51-L53 PolarHBondContact O-N 2.88Å; L53-A55 VanDerWaalsContact C-N 3.28Å; L53-A55 PolarHBondContact O-N 3.46Å; L53-L56 PolarHBondContact O-N 3.23Å; L53-M57 WeakPolarHBondContact O-CB 3.35Å; L53-M57 VanDerWaalsContact O-CG 3.28Å; L53-M57 WeakPolarHBondContact O-CG 3.44Å; L53-M57 PolarHBondContact O-N 2.96Å |
| 54 | I | 96.6 | Very high | 93.1 | Very high | 8 Ų | 8 | 46.2 Ų | 46.2 | 4% | 0.041 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.2 | -44 | 175.6 | -72.8 | 168.8 | 0 | 0 | 0 | 110.6 | V50 Q51 M57 S58 L172 L175 E176 I179 | V50-I54 HydrophobicContact CG1-CD1 3.8Å; V50-I54 HydrophobicContact CG1-CG1 4.24Å; V50-I54 WeakPolarHBondContact O-CB 3.16Å; V50-I54 VanDerWaalsContact O-CG1 3.3Å; V50-I54 WeakPolarHBondContact O-CG1 3.26Å; V50-I54 PolarHBondContact O-N 3.44Å; Q51-I54 PolarHBondContact O-N 3.48Å; I54-M57 PolarHBondContact O-N 3.34Å; I54-S58 WeakPolarHBondContact O-CB 3.34Å; I54-S58 PolarHBondContact O-N 3.4Å; I54-S58 PolarHBondContact O-OG 3.1Å; I54-L172 HydrophobicContact CG1-CD2 4.17Å; I54-L172 HydrophobicContact CG2-CB 4.04Å; I54-L172 HydrophobicContact CG2-CD2 4.24Å; I54-L172 WeakPolarHBondContact CG2-O 3.46Å; I54-L175 HydrophobicContact CD1-CB 3.91Å; I54-E176 HydrophobicContact CG2-CB 4.1Å; I54-I179 HydrophobicContact CD1-CD1 3.47Å; I54-I179 VanDerWaalsContact CD1-CD1 3.47Å |
| 55 | A | 97.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.6 | -43.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q51 I52 L53 S58 L59 S89 F92 I93 | Q51-A55 WeakPolarHBondContact O-CB 3.4Å; Q51-A55 PolarHBondContact O-N 3.07Å; I52-A55 WeakPolarHBondContact O-CB 3.41Å; I52-A55 PolarHBondContact O-N 2.91Å; L53-A55 VanDerWaalsContact C-N 3.28Å; L53-A55 PolarHBondContact O-N 3.46Å; A55-S58 PolarHBondContact O-N 3.1Å; A55-L59 VanDerWaalsContact O-CB 3.26Å; A55-L59 WeakPolarHBondContact O-CB 3.43Å; A55-L59 PolarHBondContact O-N 3.48Å; A55-S89 WeakPolarHBondContact O-CB 3.25Å; A55-S89 PolarHBondContact O-OG 2.82Å; A55-F92 HydrophobicContact CB-CB 3.55Å; A55-I93 HydrophobicContact CB-CD1 4.37Å; A55-I93 HydrophobicContact CB-CG1 3.56Å |
| 56 | L | 97.4 | Very high | 93 | Very high | 86 Ų | 86 | 42.9 Ų | 42.9 | 45% | 0.45 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.2 | -40.3 | 177.4 | -69.9 | 174.5 | 0 | 0 | 0 | 112.1 | I52 L53 L59 S60 I93 | I52-L56 HydrophobicContact CG2-CD1 4.03Å; I52-L56 HydrophobicContact CG2-CG 4.38Å; I52-L56 VanDerWaalsContact O-CG 3.3Å; I52-L56 WeakPolarHBondContact O-CG 3.48Å; I52-L56 PolarHBondContact O-N 3.35Å; L53-L56 PolarHBondContact O-N 3.23Å; L56-L59 PolarHBondContact O-N 2.73Å; L56-S60 WeakPolarHBondContact O-CB 3.5Å; L56-S60 PolarHBondContact O-N 2.87Å; L56-S60 PolarHBondContact O-OG 3.4Å; L56-I93 HydrophobicContact CD2-CD1 4.23Å |
| 57 | M | 96.4 | Very high | 92.5 | Very high | 102 Ų | 102 | 43.5 Ų | 43.5 | 50% | 0.502 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.6 | -42.3 | 174.2 | -70.4 | 178.6 | -176 | 0 | 0 | 111.7 | L53 I54 L59 S60 M61 L172 | L53-M57 WeakPolarHBondContact O-CB 3.35Å; L53-M57 VanDerWaalsContact O-CG 3.28Å; L53-M57 WeakPolarHBondContact O-CG 3.44Å; L53-M57 PolarHBondContact O-N 2.96Å; I54-M57 PolarHBondContact O-N 3.34Å; M57-L59 VanDerWaalsContact C-N 3.35Å; M57-S60 PolarHBondContact O-OG 2.93Å; M57-M61 VanDerWaalsContact O-CG 3.29Å; M57-M61 WeakPolarHBondContact O-CG 3.4Å; M57-M61 PolarHBondContact O-N 3.04Å; M57-M61 VanDerWaalsContact O-N 3.11Å; M57-L172 HydrophobicContact CB-CD1 3.78Å; M57-L172 HydrophobicContact SD-CD2 4.36Å |
| 58 | S | 94 | Very high | 91.9 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.9 | -38.6 | 177.6 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | I54 A55 G62 S89 | I54-S58 WeakPolarHBondContact O-CB 3.34Å; I54-S58 PolarHBondContact O-N 3.4Å; I54-S58 PolarHBondContact O-OG 3.1Å; A55-S58 PolarHBondContact O-N 3.1Å; S58-G62 PolarHBondContact O-N 3.4Å; S58-S89 WeakPolarHBondContact CB-OG 3.36Å |
| 59 | L | 94.6 | Very high | 90.7 | Very high | 43 Ų | 43 | 46.4 Ų | 46.4 | 23% | 0.225 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.8 | -44.7 | 178 | -178.1 | 62.5 | 0 | 0 | 0 | 111.4 | A55 L56 M57 G62 I63 I86 S89 | A55-L59 VanDerWaalsContact O-CB 3.26Å; A55-L59 WeakPolarHBondContact O-CB 3.43Å; A55-L59 PolarHBondContact O-N 3.48Å; L56-L59 PolarHBondContact O-N 2.73Å; M57-L59 VanDerWaalsContact C-N 3.35Å; L59-G62 PolarHBondContact O-N 2.86Å; L59-I63 HydrophobicContact CD1-CD1 4.39Å; L59-I63 HydrophobicContact CG-CD1 4.05Å; L59-I63 WeakPolarHBondContact O-CG1 3.34Å; L59-I63 PolarHBondContact O-N 2.86Å; L59-I86 HydrophobicContact CD1-CG1 4.42Å; L59-S89 PolarHBondContact N-OG 3.24Å |
| 60 | S | 93.8 | Very high | 89.5 | Confident | 60 Ų | 60 | 50.7 Ų | 50.7 | 42% | 0.42 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 178.9 | 65.6 | 0 | 0 | 0 | 0 | 111.7 | L56 M57 G62 I63 V64 | L56-S60 WeakPolarHBondContact O-CB 3.5Å; L56-S60 PolarHBondContact O-N 2.87Å; L56-S60 PolarHBondContact O-OG 3.4Å; M57-S60 PolarHBondContact O-OG 2.93Å; S60-G62 VanDerWaalsContact C-N 3.33Å; S60-G62 PolarHBondContact O-N 3.25Å; S60-I63 PolarHBondContact O-N 3.39Å; S60-V64 WeakPolarHBondContact O-CG2 3.37Å; S60-V64 PolarHBondContact O-N 3.43Å |
| 61 | M | 91.2 | Very high | 88.1 | Confident | 61 Ų | 61 | 53.2 Ų | 53.2 | 30% | 0.3 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60 | -43.6 | 171.8 | -70.2 | -65.5 | -178.3 | 0 | 0 | 111.5 | M57 I63 V64 M65 M165 V169 | M57-M61 VanDerWaalsContact O-CG 3.29Å; M57-M61 WeakPolarHBondContact O-CG 3.4Å; M57-M61 PolarHBondContact O-N 3.04Å; M57-M61 VanDerWaalsContact O-N 3.11Å; M61-I63 PolarHBondContact O-N 3.01Å; M61-V64 PolarHBondContact O-N 2.93Å; M61-M65 WeakPolarHBondContact O-CG 3.39Å; M61-M65 PolarHBondContact O-N 3.2Å; M61-M165 HydrophobicContact CB-CE 4.22Å; M61-M165 VanDerWaalsContact O-CE 3.26Å; M61-M165 WeakPolarHBondContact O-CE 3.35Å; M61-M165 HydrophobicContact SD-CB 4.41Å; M61-M165 HydrophobicContact SD-CE 3.6Å; M61-M165 HydrophobicContact SD-CG 4.07Å; M61-V169 HydrophobicContact CB-CG2 3.77Å; M61-V169 HydrophobicContact CG-CG2 4.39Å |
| 62 | G | 88.6 | Confident | 86.4 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56 | -48.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S58 L59 S60 M65 M66 T85 | S58-G62 PolarHBondContact O-N 3.4Å; L59-G62 PolarHBondContact O-N 2.86Å; S60-G62 VanDerWaalsContact C-N 3.33Å; S60-G62 PolarHBondContact O-N 3.25Å; G62-M65 PolarHBondContact O-N 3.39Å; G62-M66 VanDerWaalsContact O-CG 3.28Å; G62-M66 WeakPolarHBondContact O-CG 3.14Å; G62-M66 PolarHBondContact O-N 3.41Å; G62-T85 WeakPolarHBondContact CA-OG1 3.2Å |
| 63 | I | 88.3 | Confident | 84 | Confident | 91 Ų | 91 | 65.3 Ų | 65.3 | 47% | 0.467 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 178.2 | -66.3 | 164.1 | 0 | 0 | 0 | 110.8 | L59 S60 M61 M65 M66 C67 | L59-I63 HydrophobicContact CD1-CD1 4.39Å; L59-I63 HydrophobicContact CG-CD1 4.05Å; L59-I63 WeakPolarHBondContact O-CG1 3.34Å; L59-I63 PolarHBondContact O-N 2.86Å; S60-I63 PolarHBondContact O-N 3.39Å; M61-I63 PolarHBondContact O-N 3.01Å; I63-M65 PolarHBondContact O-N 2.99Å; I63-M66 WeakPolarHBondContact O-CB 3.23Å; I63-M66 PolarHBondContact O-N 3.37Å; I63-C67 PolarHBondContact O-N 2.97Å; I63-C67 PolarHBondContact O-SG 3.18Å |
| 64 | V | 87.6 | Confident | 81.5 | Confident | 71 Ų | 71 | 68.9 Ų | 68.9 | 43% | 0.43 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 178.8 | 172.7 | 0 | 0 | 0 | 0 | 111 | S60 M61 M66 C67 V68 M165 | S60-V64 WeakPolarHBondContact O-CG2 3.37Å; S60-V64 PolarHBondContact O-N 3.43Å; M61-V64 PolarHBondContact O-N 2.93Å; V64-M66 VanDerWaalsContact C-N 3.3Å; V64-M66 PolarHBondContact O-N 3.04Å; V64-C67 PolarHBondContact O-N 3.33Å; V64-V68 WeakPolarHBondContact O-CG2 3.25Å; V64-V68 PolarHBondContact O-N 3.12Å; V64-M165 HydrophobicContact CB-CE 3.56Å; V64-M165 HydrophobicContact CG1-CE 3.45Å; V64-M165 VanDerWaalsContact CG1-CE 3.45Å; V64-M165 HydrophobicContact CG1-SD 4.1Å |
| 65 | M | 83.7 | Confident | 79.1 | Confident | 17 Ų | 17 | 77.9 Ų | 77.9 | 8% | 0.084 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.3 | -41.9 | 175.6 | -73.2 | -172.6 | -72.8 | 0 | 0 | 111.6 | M61 G62 I63 V68 A69 T85 L162 M165 V169 | M61-M65 WeakPolarHBondContact O-CG 3.39Å; M61-M65 PolarHBondContact O-N 3.2Å; G62-M65 PolarHBondContact O-N 3.39Å; I63-M65 PolarHBondContact O-N 2.99Å; M65-V68 PolarHBondContact O-N 3.44Å; M65-A69 WeakPolarHBondContact O-CB 3.48Å; M65-A69 PolarHBondContact O-N 3.29Å; M65-T85 HydrophobicContact CE-CG2 4.01Å; M65-L162 HydrophobicContact CB-CD2 4.36Å; M65-L162 HydrophobicContact CG-CD2 3.98Å; M65-M165 HydrophobicContact CG-CB 4.19Å; M65-M165 HydrophobicContact CG-CE 3.53Å; M65-M165 HydrophobicContact CG-SD 3.92Å; M65-M165 HydrophobicContact SD-CB 4.07Å; M65-V169 HydrophobicContact CE-CG2 4.18Å |
| 66 | M | 80.5 | Confident | 76.9 | Confident | 43 Ų | 43 | 86.9 Ų | 86.9 | 21% | 0.212 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -62.6 | -47.7 | 175.8 | -71.5 | -69.4 | -95.5 | 0 | 0 | 111.7 | G62 I63 V64 V68 A69 F70 I78 A82 | G62-M66 VanDerWaalsContact O-CG 3.28Å; G62-M66 WeakPolarHBondContact O-CG 3.14Å; G62-M66 PolarHBondContact O-N 3.41Å; I63-M66 WeakPolarHBondContact O-CB 3.23Å; I63-M66 PolarHBondContact O-N 3.37Å; V64-M66 VanDerWaalsContact C-N 3.3Å; V64-M66 PolarHBondContact O-N 3.04Å; M66-V68 VanDerWaalsContact C-N 3.32Å; M66-V68 PolarHBondContact O-N 3.26Å; M66-A69 PolarHBondContact O-N 3.28Å; M66-A69 VanDerWaalsContact O-N 3.17Å; M66-F70 HydrophobicContact CB-CD2 4.33Å; M66-F70 HydrophobicContact CB-CE2 4.19Å; M66-F70 HydrophobicContact CE-CE2 4.04Å; M66-F70 HydrophobicContact CE-CZ 4.37Å; M66-F70 WeakPolarHBondContact O-CD2 3.03Å; M66-F70 PolarHBondContact O-N 3.17Å; M66-F70 HydrophobicContact SD-CE2 4.48Å; M66-I78 HydrophobicContact SD-CG2 3.88Å; M66-A82 HydrophobicContact CE-CB 3.38Å; M66-A82 HydrophobicContact SD-CB 3.42Å; M66-A82 WeakPolarHBondContact SD-CB 3.4Å |
| 67 | C | 82.2 | Confident | 74.4 | Confident | 78 Ų | 78 | 88.7 Ų | 88.7 | 53% | 0.527 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.6 | -42.8 | 177.8 | -69.4 | 0 | 0 | 0 | 0 | 112.5 | I63 V64 A69 S71 | I63-C67 PolarHBondContact O-N 2.97Å; I63-C67 PolarHBondContact O-SG 3.18Å; V64-C67 PolarHBondContact O-N 3.33Å; C67-A69 VanDerWaalsContact C-N 3.34Å; C67-S71 WeakPolarHBondContact O-CB 3.38Å; C67-S71 PolarHBondContact O-N 3.41Å; C67-S71 VanDerWaalsContact O-N 3.11Å |
| 68 | V | 77.8 | Confident | 72.2 | Confident | 49 Ų | 49 | 87.5 Ų | 87.5 | 30% | 0.297 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 176.7 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | V64 M65 M66 S71 S72 T158 L162 | V64-V68 WeakPolarHBondContact O-CG2 3.25Å; V64-V68 PolarHBondContact O-N 3.12Å; M65-V68 PolarHBondContact O-N 3.44Å; M66-V68 VanDerWaalsContact C-N 3.32Å; M66-V68 PolarHBondContact O-N 3.26Å; V68-S71 PolarHBondContact O-N 3.49Å; V68-S72 PolarHBondContact O-N 3.16Å; V68-S72 PolarHBondContact O-OG 2.73Å; V68-T158 HydrophobicContact CG1-CG2 4.12Å; V68-L162 HydrophobicContact CB-CD2 4.46Å; V68-L162 HydrophobicContact CG1-CD2 4.19Å |
| 69 | A | 71.1 | Confident | 69.9 | Low | 26 Ų | 26 | 92.6 Ų | 92.6 | 22% | 0.215 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -68.1 | -39.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | M65 M66 C67 S71 S72 I78 | M65-A69 WeakPolarHBondContact O-CB 3.48Å; M65-A69 PolarHBondContact O-N 3.29Å; M66-A69 PolarHBondContact O-N 3.28Å; M66-A69 VanDerWaalsContact O-N 3.17Å; C67-A69 VanDerWaalsContact C-N 3.34Å; A69-S71 VanDerWaalsContact C-N 3.31Å; A69-S71 PolarHBondContact O-N 2.88Å; A69-S72 PolarHBondContact O-N 2.82Å; A69-S72 PolarHBondContact O-OG 3.21Å; A69-I78 HydrophobicContact CB-CD1 3.56Å; A69-I78 HydrophobicContact CB-CG1 4.47Å |
| 70 | F | 69.3 | Low | 67.7 | Low | 155 Ų | 155 | 95.9 Ų | 95.9 | 68% | 0.68 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.9 | -32.4 | 174 | -78.5 | -65.5 | 0 | 0 | 0 | 113.1 | M66 S72 | M66-F70 HydrophobicContact CB-CD2 4.33Å; M66-F70 HydrophobicContact CB-CE2 4.19Å; M66-F70 HydrophobicContact CE-CE2 4.04Å; M66-F70 HydrophobicContact CE-CZ 4.37Å; M66-F70 WeakPolarHBondContact O-CD2 3.03Å; M66-F70 PolarHBondContact O-N 3.17Å; M66-F70 HydrophobicContact SD-CE2 4.48Å; F70-S72 VanDerWaalsContact C-N 3.3Å |
| 71 | S | 68 | Low | 65.8 | Low | 99 Ų | 99 | 94.6 Ų | 94.6 | 69% | 0.692 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -75.5 | -20 | 179.2 | -171.4 | 0 | 0 | 0 | 0 | 113.2 | C67 V68 A69 | C67-S71 WeakPolarHBondContact O-CB 3.38Å; C67-S71 PolarHBondContact O-N 3.41Å; C67-S71 VanDerWaalsContact O-N 3.11Å; V68-S71 PolarHBondContact O-N 3.49Å; A69-S71 VanDerWaalsContact C-N 3.31Å; A69-S71 PolarHBondContact O-N 2.88Å |
| 72 | S | 60.7 | Low | 64.3 | Low | 64 Ų | 64 | 92.5 Ų | 92.5 | 45% | 0.448 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -99 | 87.8 | 178.4 | 30.1 | 0 | 0 | 0 | 0 | 108.7 | V68 A69 F70 E74 | V68-S72 PolarHBondContact O-N 3.16Å; V68-S72 PolarHBondContact O-OG 2.73Å; A69-S72 PolarHBondContact O-N 2.82Å; A69-S72 PolarHBondContact O-OG 3.21Å; F70-S72 VanDerWaalsContact C-N 3.3Å; S72-E74 VanDerWaalsContact C-N 3.26Å; S72-E74 PolarHBondContact O-N 2.92Å |
| 73 | Y | 47.5 | Very low | 63.5 | Low | 231 Ų | 231 | 93.5 Ų | 93.5 | 91% | 0.906 | 50% | 0.499 | S | S | * | . | trans | -56.6 | 80.9 | 175.3 | -84.9 | -101.5 | 0 | 0 | 0 | 111.7 | ||||
| 74 | E | 44.8 | Very low | 63.3 | Low | 161 Ų | 161 | 89.3 Ų | 89.3 | 75% | 0.752 | 48% | 0.477 | S | S | * | . | trans | -151.5 | 123.3 | 161.9 | -121.5 | -171.9 | 159.2 | 0 | 0 | 108.9 | S72 R76 | S72-E74 VanDerWaalsContact C-N 3.26Å; S72-E74 PolarHBondContact O-N 2.92Å; E74-R76 PolarHBondContact O-N 3.3Å | ||
| 75 | E | 45.9 | Very low | 63.3 | Low | 196 Ų | 196 | 86.1 Ų | 86.1 | 92% | 0.916 | 46% | 0.458 | S | S | * | . | trans | -59.6 | 107.7 | -177.5 | -60.4 | -157.9 | 169.9 | 0 | 0 | 111.6 | ||||
| 76 | R | 51.5 | Low | 63.6 | Low | 190 Ų | 190 | 89.1 Ų | 89.1 | 72% | 0.717 | 47% | 0.473 | S | S | * | . | trans | -143.4 | 148.1 | 160.9 | -69.9 | -159.1 | -168.7 | -164 | 7 | 111.5 | E74 I78 | E74-R76 PolarHBondContact O-N 3.3Å; R76-I78 WeakPolarHBondContact O-CG1 3.35Å; R76-I78 PolarHBondContact O-N 3.28Å | ||
| 77 | P | 45.7 | Very low | 64.1 | Low | 123 Ų | 123 | 91.7 Ų | 91.7 | 80% | 0.799 | 48% | 0.481 | S | S | * | . | trans | -80 | 87.4 | -162.8 | 33.3 | -33.5 | 0 | 0 | 0 | 110.1 | S79 | P77-S79 PolarHBondContact O-N 3.28Š| ||
| 78 | I | 49.7 | Very low | 64.6 | Low | 77 Ų | 77 | 88 Ų | 88 | 40% | 0.395 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 0.5 | 175.2 | -57.6 | 147.9 | 0 | 0 | 0 | 110.7 | M66 A69 R76 V80 Y81 A82 | M66-I78 HydrophobicContact SD-CG2 3.88Å; A69-I78 HydrophobicContact CB-CD1 3.56Å; A69-I78 HydrophobicContact CB-CG1 4.47Å; R76-I78 WeakPolarHBondContact O-CG1 3.35Å; R76-I78 PolarHBondContact O-N 3.28Å; I78-V80 VanDerWaalsContact C-N 3.31Å; I78-V80 PolarHBondContact O-N 3.39Å; I78-V80 VanDerWaalsContact O-N 3.16Å; I78-Y81 PolarHBondContact O-N 3.43Å; I78-A82 HydrophobicContact CG2-CB 3.88Å; I78-A82 WeakPolarHBondContact O-CB 3.47Å; I78-A82 PolarHBondContact O-N 2.87Å |
| 79 | S | 45.9 | Very low | 65.5 | Low | 108 Ų | 108 | 85.7 Ų | 85.7 | 76% | 0.755 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -10.5 | -168.6 | -171.5 | 0 | 0 | 0 | 0 | 116.4 | P77 | P77-S79 PolarHBondContact O-N 3.28Š|
| 80 | V | 47.8 | Very low | 66.7 | Low | 113 Ų | 113 | 87.9 Ų | 87.9 | 69% | 0.685 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -28.1 | 173.8 | -176.3 | 0 | 0 | 0 | 0 | 111.4 | I78 | I78-V80 VanDerWaalsContact C-N 3.31Å; I78-V80 PolarHBondContact O-N 3.39Å; I78-V80 VanDerWaalsContact O-N 3.16Å |
| 81 | Y | 53.5 | Low | 68 | Low | 33 Ų | 33 | 82.4 Ų | 82.4 | 13% | 0.129 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -92.4 | -35.5 | -174.7 | -139.1 | -92 | 0 | 0 | 0 | 113.7 | I78 G83 Y84 I131 N132 S135 D166 | I78-Y81 PolarHBondContact O-N 3.43Å; Y81-G83 PolarHBondContact O-N 2.87Å; Y81-Y84 PolarHBondContact O-N 3.07Å; Y81-I131 HydrophobicContact CD2-CG2 3.48Å; Y81-I131 VanDerWaalsContact CD2-CG2 3.48Å; Y81-I131 HydrophobicContact CE2-CB 4.35Å; Y81-I131 HydrophobicContact CE2-CG2 3.1Å; Y81-I131 WeakPolarHBondContact CE2-O 3.47Å; Y81-I131 HydrophobicContact CG-CG2 4.41Å; Y81-N132 VanDerWaalsContact CZ-OD1 3.27Å; Y81-N132 WeakPolarHBondContact OH-CA 3.11Å; Y81-N132 WeakPolarHBondContact OH-CB 3.42Å; Y81-N132 VanDerWaalsContact OH-CG 3.23Å; Y81-N132 PolarHBondContact OH-OD1 3.46Å; Y81-S135 WeakPolarHBondContact CD2-OG 3.42Å; Y81-S135 WeakPolarHBondContact CE2-OG 3.34Å; Y81-S135 VanDerWaalsContact CZ-OG 3.28Å; Y81-S135 WeakPolarHBondContact OH-CB 3.29Å; Y81-D166 WeakPolarHBondContact CE1-OD1 3.48Å; Y81-D166 PolarHBondContact OH-OD1 3.02Å; Y81-D166 PolarHBondContact OH-OD2 2.99Å; Y81-D166 VanDerWaalsContact OH-OD2 3.08Å |
| 82 | A | 59.8 | Low | 69.3 | Low | 16 Ų | 16 | 77.8 Ų | 77.8 | 13% | 0.132 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -55.8 | -31.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | M66 I78 | M66-A82 HydrophobicContact CE-CB 3.38Å; M66-A82 HydrophobicContact SD-CB 3.42Å; M66-A82 WeakPolarHBondContact SD-CB 3.4Å; I78-A82 HydrophobicContact CG2-CB 3.88Å; I78-A82 WeakPolarHBondContact O-CB 3.47Å; I78-A82 PolarHBondContact O-N 2.87Å |
| 83 | G | 71.8 | Confident | 71.1 | Confident | 23 Ų | 23 | 77 Ų | 77 | 24% | 0.237 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -72.3 | -48.4 | -176 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y81 T85 I86 W87 | Y81-G83 PolarHBondContact O-N 2.87Å; G83-T85 PolarHBondContact O-N 3Å; G83-I86 CarbonylContact O-C 3.57Å; G83-I86 WeakPolarHBondContact O-CA 3.34Å; G83-I86 WeakPolarHBondContact O-CB 3.48Å; G83-I86 PolarHBondContact O-N 2.89Å; G83-W87 PolarHBondContact O-N 2.77Å; G83-W87 PolarHBondContact O-NE1 2.72Å |
| 84 | Y | 85.1 | Confident | 73.5 | Confident | 3 Ų | 3 | 69.9 Ų | 69.9 | 1% | 0.012 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.2 | -48 | -163.6 | 167.5 | -107.9 | 0 | 0 | 0 | 112.7 | Y81 I86 W87 G88 F124 V169 S173 | Y81-Y84 PolarHBondContact O-N 3.07Å; Y84-I86 PolarHBondContact O-N 3.12Å; Y84-I86 VanDerWaalsContact O-N 3.12Å; Y84-W87 AromaticContact CD2-CH2 3.99Å; Y84-W87 HydrophobicContact CD2-CH2 3.99Å; Y84-W87 AromaticContact CD2-CZ2 3.95Å; Y84-W87 HydrophobicContact CD2-CZ2 3.95Å; Y84-W87 HydrophobicContact CD2-CZ3 4.37Å; Y84-G88 VanDerWaalsContact O-CA 3.25Å; Y84-G88 WeakPolarHBondContact O-CA 3.43Å; Y84-G88 PolarHBondContact O-N 3.28Å; Y84-F124 WeakPolarHBondContact CE2-O 3.49Å; Y84-V169 HydrophobicContact CE1-CG1 4.05Å; Y84-S173 PolarHBondContact OH-OG 3.36Å |
| 85 | T | 88.1 | Confident | 76 | Confident | 4 Ų | 4 | 62.2 Ų | 62.2 | 3% | 0.025 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.5 | -18.7 | 178.9 | 50.6 | 0 | 0 | 0 | 0 | 113.1 | G62 M65 G83 S89 V169 | G62-T85 WeakPolarHBondContact CA-OG1 3.2Å; M65-T85 HydrophobicContact CE-CG2 4.01Å; G83-T85 PolarHBondContact O-N 3Å; T85-S89 WeakPolarHBondContact O-CB 3.39Å; T85-S89 PolarHBondContact O-OG 3.49Å; T85-V169 HydrophobicContact CG2-CG1 3.98Å; T85-V169 HydrophobicContact CG2-CG2 4.39Å |
| 86 | I | 89.3 | Confident | 78.4 | Confident | 80 Ų | 80 | 52.9 Ų | 52.9 | 41% | 0.41 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -89.1 | -63.5 | 173.8 | -57.7 | 176.8 | 0 | 0 | 0 | 110.3 | L59 G83 Y84 G88 S89 V90 | L59-I86 HydrophobicContact CD1-CG1 4.42Å; G83-I86 CarbonylContact O-C 3.57Å; G83-I86 WeakPolarHBondContact O-CA 3.34Å; G83-I86 WeakPolarHBondContact O-CB 3.48Å; G83-I86 PolarHBondContact O-N 2.89Å; Y84-I86 PolarHBondContact O-N 3.12Å; Y84-I86 VanDerWaalsContact O-N 3.12Å; I86-G88 PolarHBondContact O-N 3.31Å; I86-S89 PolarHBondContact O-N 3.37Å; I86-V90 WeakPolarHBondContact O-CG2 3.46Å; I86-V90 PolarHBondContact O-N 2.93Å |
| 87 | W | 90.8 | Very high | 80.6 | Confident | 97 Ų | 97 | 46.5 Ų | 46.5 | 37% | 0.367 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.9 | -34.8 | -173.8 | 59.4 | -103.3 | 0 | 0 | 0 | 112.7 | G83 Y84 M91 F124 T127 I131 | G83-W87 PolarHBondContact O-N 2.77Å; G83-W87 PolarHBondContact O-NE1 2.72Å; Y84-W87 AromaticContact CD2-CH2 3.99Å; Y84-W87 HydrophobicContact CD2-CH2 3.99Å; Y84-W87 AromaticContact CD2-CZ2 3.95Å; Y84-W87 HydrophobicContact CD2-CZ2 3.95Å; Y84-W87 HydrophobicContact CD2-CZ3 4.37Å; W87-M91 WeakPolarHBondContact O-CG 3.23Å; W87-M91 PolarHBondContact O-N 3.17Å; W87-M91 VanDerWaalsContact O-N 3.17Å; W87-F124 AromaticContact CE3-CD1 3.22Å; W87-F124 HydrophobicContact CE3-CD1 3.22Å; W87-F124 AromaticContact CE3-CE1 3.25Å; W87-F124 HydrophobicContact CE3-CE1 3.25Å; W87-F124 HydrophobicContact CE3-CG 4.42Å; W87-F124 HydrophobicContact CH2-CD1 4.39Å; W87-F124 HydrophobicContact CZ3-CB 4.44Å; W87-F124 AromaticContact CZ3-CD1 3.08Å; W87-F124 HydrophobicContact CZ3-CD1 3.08Å; W87-F124 AromaticContact CZ3-CE1 3.3Å; W87-F124 HydrophobicContact CZ3-CE1 3.3Å; W87-F124 AromaticContact CZ3-CG 3.94Å; W87-F124 HydrophobicContact CZ3-CG 3.94Å; W87-F124 HydrophobicContact CZ3-CZ 4.36Å; W87-T127 HydrophobicContact CH2-CG2 3.91Å; W87-I131 HydrophobicContact CZ2-CD1 4.43Å |
| 88 | G | 93.3 | Very high | 83 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.4 | -50.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y84 I86 V90 M91 F92 | Y84-G88 VanDerWaalsContact O-CA 3.25Å; Y84-G88 WeakPolarHBondContact O-CA 3.43Å; Y84-G88 PolarHBondContact O-N 3.28Å; I86-G88 PolarHBondContact O-N 3.31Å; G88-V90 VanDerWaalsContact C-N 3.35Å; G88-V90 PolarHBondContact O-N 2.74Å; G88-M91 PolarHBondContact O-N 3.39Å; G88-M91 VanDerWaalsContact O-N 3.13Å; G88-F92 VanDerWaalsContact O-CD1 3.23Å; G88-F92 WeakPolarHBondContact O-CD1 3.3Å; G88-F92 WeakPolarHBondContact O-CG 3.47Å; G88-F92 PolarHBondContact O-N 3.03Å |
| 89 | S | 95.7 | Very high | 85.1 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.007 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.8 | -39.4 | 177.6 | -74.9 | 0 | 0 | 0 | 0 | 113.4 | A55 S58 L59 T85 I86 M91 F92 I93 | A55-S89 WeakPolarHBondContact O-CB 3.25Å; A55-S89 PolarHBondContact O-OG 2.82Å; S58-S89 WeakPolarHBondContact CB-OG 3.36Å; L59-S89 PolarHBondContact N-OG 3.24Å; T85-S89 WeakPolarHBondContact O-CB 3.39Å; T85-S89 PolarHBondContact O-OG 3.49Å; I86-S89 PolarHBondContact O-N 3.37Å; S89-M91 VanDerWaalsContact C-N 3.32Å; S89-M91 PolarHBondContact O-N 3.21Å; S89-F92 PolarHBondContact O-N 3.48Å; S89-I93 VanDerWaalsContact O-CG1 3.29Å; S89-I93 WeakPolarHBondContact O-CG1 3.46Å; S89-I93 PolarHBondContact O-N 3.19Å |
| 90 | V | 96.1 | Very high | 87.4 | Confident | 72 Ų | 72 | 35.3 Ų | 35.3 | 44% | 0.436 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.2 | -45.6 | 174.9 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | I86 G88 F92 I93 I94 | I86-V90 WeakPolarHBondContact O-CG2 3.46Å; I86-V90 PolarHBondContact O-N 2.93Å; G88-V90 VanDerWaalsContact C-N 3.35Å; G88-V90 PolarHBondContact O-N 2.74Å; V90-F92 PolarHBondContact O-N 2.89Å; V90-I93 PolarHBondContact O-N 2.91Å; V90-I94 HydrophobicContact CG1-CD1 3.9Å; V90-I94 VanDerWaalsContact O-CG1 3.28Å; V90-I94 WeakPolarHBondContact O-CG1 3.29Å; V90-I94 PolarHBondContact O-N 2.83Å |
| 91 | M | 96.3 | Very high | 89.6 | Confident | 40 Ų | 40 | 31.6 Ų | 31.6 | 20% | 0.197 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.5 | -39.8 | 178.1 | -68 | -59.9 | -69.4 | 0 | 0 | 112.4 | W87 G88 S89 I94 S95 M117 T120 F124 | W87-M91 WeakPolarHBondContact O-CG 3.23Å; W87-M91 PolarHBondContact O-N 3.17Å; W87-M91 VanDerWaalsContact O-N 3.17Å; G88-M91 PolarHBondContact O-N 3.39Å; G88-M91 VanDerWaalsContact O-N 3.13Å; S89-M91 VanDerWaalsContact C-N 3.32Å; S89-M91 PolarHBondContact O-N 3.21Å; M91-I94 PolarHBondContact O-N 3.33Å; M91-I94 HydrophobicContact SD-CD1 4.46Å; M91-S95 WeakPolarHBondContact O-CB 3.49Å; M91-S95 PolarHBondContact O-N 3.15Å; M91-M117 HydrophobicContact CE-CE 3.72Å; M91-T120 HydrophobicContact CE-CG2 3.62Å; M91-F124 HydrophobicContact CB-CD1 3.98Å; M91-F124 HydrophobicContact CB-CE1 4.39Å; M91-F124 HydrophobicContact CB-CG 4.38Å; M91-F124 HydrophobicContact CE-CE2 4.24Å; M91-F124 HydrophobicContact CE-CZ 4.17Å; M91-F124 HydrophobicContact CG-CD1 3.61Å; M91-F124 HydrophobicContact CG-CE1 3.53Å; M91-F124 HydrophobicContact CG-CG 4.34Å; M91-F124 HydrophobicContact CG-CZ 4.09Å |
| 92 | F | 97.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.1 | -38.5 | 177.5 | -59.2 | -12.1 | 0 | 0 | 0 | 111.7 | A55 G88 S89 V90 S95 G96 S121 F124 A125 E176 | A55-F92 HydrophobicContact CB-CB 3.55Å; G88-F92 VanDerWaalsContact O-CD1 3.23Å; G88-F92 WeakPolarHBondContact O-CD1 3.3Å; G88-F92 WeakPolarHBondContact O-CG 3.47Å; G88-F92 PolarHBondContact O-N 3.03Å; S89-F92 PolarHBondContact O-N 3.48Å; V90-F92 PolarHBondContact O-N 2.89Å; F92-S95 PolarHBondContact O-N 2.92Å; F92-G96 PolarHBondContact O-N 3.05Å; F92-S121 WeakPolarHBondContact CD1-OG 3.34Å; F92-S121 WeakPolarHBondContact CE1-OG 3.47Å; F92-F124 HydrophobicContact CE1-CB 3.86Å; F92-A125 HydrophobicContact CE1-CB 4.22Å; F92-A125 HydrophobicContact CZ-CB 3.97Å; F92-E176 HydrophobicContact CD1-CG 3.76Å; F92-E176 HydrophobicContact CD2-CG 3.86Å; F92-E176 HydrophobicContact CE1-CG 3.76Å; F92-E176 HydrophobicContact CE2-CB 4.32Å; F92-E176 HydrophobicContact CE2-CG 3.88Å; F92-E176 HydrophobicContact CG-CG 3.8Å; F92-E176 HydrophobicContact CZ-CG 3.83Å |
| 93 | I | 98.1 | Very high | 92.6 | Very high | 49 Ų | 49 | 29.8 Ų | 29.8 | 25% | 0.251 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -62.6 | -46.5 | 174 | -70.1 | 166.7 | 0 | 0 | 0 | 110.8 | A55 L56 S89 V90 G96 S97 | A55-I93 HydrophobicContact CB-CD1 4.37Å; A55-I93 HydrophobicContact CB-CG1 3.56Å; L56-I93 HydrophobicContact CD2-CD1 4.23Å; S89-I93 VanDerWaalsContact O-CG1 3.29Å; S89-I93 WeakPolarHBondContact O-CG1 3.46Å; S89-I93 PolarHBondContact O-N 3.19Å; V90-I93 PolarHBondContact O-N 2.91Å; I93-G96 PolarHBondContact O-N 3.46Å; I93-S97 VanDerWaalsContact O-CB 3.26Å; I93-S97 WeakPolarHBondContact O-CB 3.48Å; I93-S97 PolarHBondContact O-N 3.15Å; I93-S97 PolarHBondContact O-OG 3.29Å |
| 94 | I | 97.6 | Very high | 93.3 | Very high | 80 Ų | 80 | 33.8 Ų | 33.8 | 41% | 0.41 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63 | -46.7 | 179.7 | -63.4 | 164.3 | 0 | 0 | 0 | 109.8 | V90 M91 S97 L98 M117 | V90-I94 HydrophobicContact CG1-CD1 3.9Å; V90-I94 VanDerWaalsContact O-CG1 3.28Å; V90-I94 WeakPolarHBondContact O-CG1 3.29Å; V90-I94 PolarHBondContact O-N 2.83Å; M91-I94 PolarHBondContact O-N 3.33Å; M91-I94 HydrophobicContact SD-CD1 4.46Å; I94-S97 PolarHBondContact O-N 3.01Å; I94-L98 WeakPolarHBondContact O-CB 3.46Å; I94-L98 PolarHBondContact O-N 3.41Å; I94-M117 HydrophobicContact CB-CE 4.27Å; I94-M117 HydrophobicContact CG2-CE 3.73Å |
| 95 | S | 97.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.7 | -52.1 | 177 | -173.2 | 0 | 0 | 0 | 0 | 111.7 | M91 F92 S97 L98 S99 M117 N118 | M91-S95 WeakPolarHBondContact O-CB 3.49Å; M91-S95 PolarHBondContact O-N 3.15Å; F92-S95 PolarHBondContact O-N 2.92Å; S95-S97 VanDerWaalsContact C-N 3.35Å; S95-S97 PolarHBondContact O-N 3.31Å; S95-L98 PolarHBondContact O-N 2.81Å; S95-S99 PolarHBondContact O-N 3.36Å; S95-S99 PolarHBondContact O-OG 2.95Å; S95-M117 PolarHBondContact OG-O 3.27Å; S95-N118 WeakPolarHBondContact OG-CA 3.26Å; S95-N118 PolarHBondContact OG-N 3.45Å; S95-N118 PolarHBondContact OG-OD1 3.41Å |
| 96 | G | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.1 | -43.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | G48 F92 I93 L98 S99 V100 | G48-G96 WeakPolarHBondContact O-CA 3.17Å; F92-G96 PolarHBondContact O-N 3.05Å; I93-G96 PolarHBondContact O-N 3.46Å; G96-L98 VanDerWaalsContact C-N 3.34Å; G96-L98 PolarHBondContact O-N 2.97Å; G96-S99 WeakPolarHBondContact O-CB 3.38Å; G96-S99 PolarHBondContact O-N 2.96Å; G96-V100 WeakPolarHBondContact O-CG2 3.2Å; G96-V100 PolarHBondContact O-N 3.47Å |
| 97 | S | 97.2 | Very high | 92.9 | Very high | 56 Ų | 56 | 46.9 Ų | 46.9 | 39% | 0.392 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62 | -42 | 178.1 | -60.7 | 0 | 0 | 0 | 0 | 111.8 | I93 I94 S95 V100 A101 | I93-S97 VanDerWaalsContact O-CB 3.26Å; I93-S97 WeakPolarHBondContact O-CB 3.48Å; I93-S97 PolarHBondContact O-N 3.15Å; I93-S97 PolarHBondContact O-OG 3.29Å; I94-S97 PolarHBondContact O-N 3.01Å; S95-S97 VanDerWaalsContact C-N 3.35Å; S95-S97 PolarHBondContact O-N 3.31Å; S97-V100 PolarHBondContact O-N 3.28Å; S97-A101 WeakPolarHBondContact O-CB 3.13Å; S97-A101 PolarHBondContact O-N 3.38Å |
| 98 | L | 95.4 | Very high | 92.6 | Very high | 48 Ų | 48 | 47 Ų | 47 | 25% | 0.251 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70.4 | -35.9 | 178.1 | -163.4 | 56.3 | 0 | 0 | 0 | 111.9 | I94 S95 G96 A101 A102 L110 G113 M117 | I94-L98 WeakPolarHBondContact O-CB 3.46Å; I94-L98 PolarHBondContact O-N 3.41Å; S95-L98 PolarHBondContact O-N 2.81Å; G96-L98 VanDerWaalsContact C-N 3.34Å; G96-L98 PolarHBondContact O-N 2.97Å; L98-A101 PolarHBondContact O-N 2.9Å; L98-A102 VanDerWaalsContact O-CB 3.27Å; L98-A102 WeakPolarHBondContact O-CB 3.38Å; L98-A102 PolarHBondContact O-N 2.88Å; L98-L110 HydrophobicContact CD1-CG 4.32Å; L98-G113 WeakPolarHBondContact CD2-O 3Å; L98-M117 HydrophobicContact CD2-CB 4.24Å; L98-M117 HydrophobicContact CD2-CG 3.61Å |
| 99 | S | 94.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 171.7 | -57.9 | 0 | 0 | 0 | 0 | 112.6 | Q51 S95 G96 A102 G103 S114 N118 | Q51-S99 PolarHBondContact OE1-OG 3.34Å; S95-S99 PolarHBondContact O-N 3.36Å; S95-S99 PolarHBondContact O-OG 2.95Å; G96-S99 WeakPolarHBondContact O-CB 3.38Å; G96-S99 PolarHBondContact O-N 2.96Å; S99-A102 PolarHBondContact O-N 2.87Å; S99-G103 PolarHBondContact O-N 3.41Å; S99-S114 WeakPolarHBondContact CA-OG 3.28Å; S99-S114 PolarHBondContact OG-OG 3.48Å; S99-S114 VanDerWaalsContact OG-OG 3.1Å; S99-N118 PolarHBondContact OG-ND2 3.3Å |
| 100 | V | 95.1 | Very high | 92.1 | Very high | 26 Ų | 26 | 52.4 Ų | 52.4 | 16% | 0.158 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61 | -49.5 | 172.7 | 170.9 | 0 | 0 | 0 | 0 | 110.5 | K45 G48 V49 I52 G96 S97 A102 G103 I104 | K45-V100 HydrophobicContact CG-CG1 4.39Å; G48-V100 VanDerWaalsContact C-CG2 3.5Å; V49-V100 HydrophobicContact CG2-CG2 3.8Å; I52-V100 HydrophobicContact CD1-CG2 4.21Å; G96-V100 WeakPolarHBondContact O-CG2 3.2Å; G96-V100 PolarHBondContact O-N 3.47Å; S97-V100 PolarHBondContact O-N 3.28Å; V100-A102 VanDerWaalsContact C-N 3.29Å; V100-A102 PolarHBondContact O-N 2.81Å; V100-G103 PolarHBondContact O-N 3.16Å; V100-I104 HydrophobicContact CG1-CD1 3.79Å; V100-I104 WeakPolarHBondContact O-CG1 3.41Å; V100-I104 PolarHBondContact O-N 3.21Å |
| 101 | A | 92.6 | Very high | 91.8 | Very high | 35 Ų | 35 | 49.5 Ų | 49.5 | 29% | 0.289 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.4 | -40.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | S97 L98 G103 I104 R105 L110 | S97-A101 WeakPolarHBondContact O-CB 3.13Å; S97-A101 PolarHBondContact O-N 3.38Å; L98-A101 PolarHBondContact O-N 2.9Å; A101-G103 VanDerWaalsContact C-N 3.3Å; A101-G103 PolarHBondContact O-N 3.22Å; A101-I104 PolarHBondContact O-N 3.25Å; A101-R105 PolarHBondContact O-N 2.83Å; A101-L110 HydrophobicContact CB-CD2 3.39Å; A101-L110 VanDerWaalsContact O-CD2 3.29Å; A101-L110 WeakPolarHBondContact O-CD2 3.33Å |
| 102 | A | 89.5 | Confident | 91.5 | Very high | 5 Ų | 5 | 48.8 Ų | 48.8 | 4% | 0.041 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.7 | -30.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L98 S99 V100 R105 T106 L110 V111 | L98-A102 VanDerWaalsContact O-CB 3.27Å; L98-A102 WeakPolarHBondContact O-CB 3.38Å; L98-A102 PolarHBondContact O-N 2.88Å; S99-A102 PolarHBondContact O-N 2.87Å; V100-A102 VanDerWaalsContact C-N 3.29Å; V100-A102 PolarHBondContact O-N 2.81Å; A102-R105 CarbonylContact O-C 3.43Å; A102-T106 WeakPolarHBondContact O-CA 3.08Å; A102-T106 PolarHBondContact O-N 3.45Å; A102-T106 PolarHBondContact O-OG1 3.45Å; A102-L110 HydrophobicContact CB-CB 4.15Å; A102-L110 HydrophobicContact CB-CD2 4.4Å; A102-V111 HydrophobicContact CB-CG2 4.32Å |
| 103 | G | 86.3 | Confident | 91.4 | Very high | 6 Ų | 6 | 50.2 Ų | 50.2 | 6% | 0.062 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -74.9 | -30.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | S99 V100 A101 | S99-G103 PolarHBondContact O-N 3.41Å; V100-G103 PolarHBondContact O-N 3.16Å; A101-G103 VanDerWaalsContact C-N 3.3Å; A101-G103 PolarHBondContact O-N 3.22Å |
| 104 | I | 86.8 | Confident | 91.2 | Very high | 106 Ų | 106 | 48.2 Ų | 48.2 | 54% | 0.544 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -79.3 | -42.8 | 175.2 | -62.5 | 166.8 | 0 | 0 | 0 | 110.9 | K45 V100 A101 | K45-I104 HydrophobicContact CD-CG1 4.03Å; K45-I104 HydrophobicContact CG-CG1 4.44Å; V100-I104 HydrophobicContact CG1-CD1 3.79Å; V100-I104 WeakPolarHBondContact O-CG1 3.41Å; V100-I104 PolarHBondContact O-N 3.21Å; A101-I104 PolarHBondContact O-N 3.25Å |
| 105 | R | 84.1 | Confident | 91.1 | Very high | 188 Ų | 188 | 45.7 Ų | 45.7 | 71% | 0.709 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -128.8 | 94.6 | -179.6 | -67.3 | -171.7 | 177.7 | -168.4 | -0.8 | 109.8 | A101 A102 T107 | A101-R105 PolarHBondContact O-N 2.83Å; A102-R105 CarbonylContact O-C 3.43Å; R105-T107 VanDerWaalsContact C-N 3.27Å; R105-T107 PolarHBondContact O-N 2.96Å |
| 106 | T | 83.6 | Confident | 91 | Very high | 103 Ų | 103 | 47.2 Ų | 47.2 | 63% | 0.632 | 29% | 0.286 | S | S | * | . | trans | -74.6 | 76.2 | -179.8 | -42.8 | 0 | 0 | 0 | 0 | 111.3 | A102 V111 | A102-T106 WeakPolarHBondContact O-CA 3.08Å; A102-T106 PolarHBondContact O-N 3.45Å; A102-T106 PolarHBondContact O-OG1 3.45Å; T106-V111 HydrophobicContact CG2-CG2 3.78Å | ||
| 107 | T | 87.3 | Confident | 91 | Very high | 72 Ų | 72 | 49.2 Ų | 49.2 | 44% | 0.442 | 30% | 0.296 | S | S | . | . | trans | -100.8 | 148 | 169.5 | 71.3 | 0 | 0 | 0 | 0 | 110 | R105 G109 L110 V111 | R105-T107 VanDerWaalsContact C-N 3.27Å; R105-T107 PolarHBondContact O-N 2.96Å; T107-G109 PolarHBondContact O-N 3.47Å; T107-L110 PolarHBondContact O-N 2.96Å; T107-L110 VanDerWaalsContact O-N 3.11Å; T107-L110 PolarHBondContact OG1-N 3.35Å; T107-V111 WeakPolarHBondContact O-CG2 3.3Å; T107-V111 PolarHBondContact O-N 2.83Å | ||
| 108 | K | 84.5 | Confident | 91 | Very high | 100 Ų | 100 | 46.6 Ų | 46.6 | 44% | 0.435 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -52.6 | -40.3 | 178.6 | -76.8 | 179.5 | 173.1 | 171.7 | 0 | 112.8 | G112 L191 E197 | K108-G112 PolarHBondContact O-N 3.01Å; K108-L191 HydrophobicContact CB-CD1 4.34Å; K108-L191 HydrophobicContact CG-CD1 4.4Å; K108-E197 PolarHBondContact NZ-O 3.28Å |
| 109 | G | 88.1 | Confident | 91.1 | Very high | 59 Ų | 59 | 48.6 Ų | 48.6 | 61% | 0.608 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -64.8 | -46.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | T107 G112 G113 | T107-G109 PolarHBondContact O-N 3.47Å; G109-G112 PolarHBondContact O-N 3.15Å; G109-G113 PolarHBondContact O-N 3.21Å |
| 110 | L | 89.1 | Confident | 91.2 | Very high | 54 Ų | 54 | 51 Ų | 51 | 28% | 0.283 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.1 | -42.6 | 178.3 | -108.7 | 86.7 | 0 | 0 | 0 | 112.6 | L98 A101 A102 T107 G113 S114 | L98-L110 HydrophobicContact CD1-CG 4.32Å; A101-L110 HydrophobicContact CB-CD2 3.39Å; A101-L110 VanDerWaalsContact O-CD2 3.29Å; A101-L110 WeakPolarHBondContact O-CD2 3.33Å; A102-L110 HydrophobicContact CB-CB 4.15Å; A102-L110 HydrophobicContact CB-CD2 4.4Å; T107-L110 PolarHBondContact O-N 2.96Å; T107-L110 VanDerWaalsContact O-N 3.11Å; T107-L110 PolarHBondContact OG1-N 3.35Å; L110-G113 PolarHBondContact O-N 3.4Å; L110-S114 VanDerWaalsContact O-CB 3.26Å; L110-S114 WeakPolarHBondContact O-CB 3.42Å; L110-S114 PolarHBondContact O-N 3.38Å |
| 111 | V | 90.1 | Very high | 91.3 | Very high | 11 Ų | 11 | 49.8 Ų | 49.8 | 7% | 0.067 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65 | -42.4 | 178.4 | 176 | 0 | 0 | 0 | 0 | 110.4 | A102 T106 T107 S114 L115 V190 | A102-V111 HydrophobicContact CB-CG2 4.32Å; T106-V111 HydrophobicContact CG2-CG2 3.78Å; T107-V111 WeakPolarHBondContact O-CG2 3.3Å; T107-V111 PolarHBondContact O-N 2.83Å; V111-S114 PolarHBondContact O-N 2.74Å; V111-L115 VanDerWaalsContact O-CB 3.31Å; V111-L115 WeakPolarHBondContact O-CB 3.48Å; V111-L115 PolarHBondContact O-N 2.9Å; V111-V190 HydrophobicContact CG1-CB 4.06Å; V111-V190 HydrophobicContact CG1-CG1 3.99Å |
| 112 | G | 91.4 | Very high | 91.5 | Very high | 25 Ų | 25 | 48.6 Ų | 48.6 | 26% | 0.258 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.1 | -42.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | K108 G109 L115 G116 | K108-G112 PolarHBondContact O-N 3.01Å; G109-G112 PolarHBondContact O-N 3.15Å; G112-L115 WeakPolarHBondContact O-CB 3.26Å; G112-L115 PolarHBondContact O-N 3.46Å; G112-G116 PolarHBondContact O-N 2.88Å |
| 113 | G | 93.4 | Very high | 91.9 | Very high | 31 Ų | 31 | 52.2 Ų | 52.2 | 32% | 0.32 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.7 | -47.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | L98 G109 L110 L115 G116 M117 | L98-G113 WeakPolarHBondContact CD2-O 3Å; G109-G113 PolarHBondContact O-N 3.21Å; L110-G113 PolarHBondContact O-N 3.4Å; G113-L115 VanDerWaalsContact C-N 3.32Å; G113-L115 PolarHBondContact O-N 3.22Å; G113-G116 PolarHBondContact O-N 2.96Å; G113-M117 WeakPolarHBondContact O-CG 3.07Å; G113-M117 PolarHBondContact O-N 3.17Å |
| 114 | S | 94.6 | Very high | 92.4 | Very high | 8 Ų | 8 | 54.3 Ų | 54.3 | 6% | 0.056 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.5 | -43.1 | 176.3 | 174 | 0 | 0 | 0 | 0 | 111 | S99 L110 V111 G116 M117 N118 | S99-S114 WeakPolarHBondContact CA-OG 3.28Å; S99-S114 PolarHBondContact OG-OG 3.48Å; S99-S114 VanDerWaalsContact OG-OG 3.1Å; L110-S114 VanDerWaalsContact O-CB 3.26Å; L110-S114 WeakPolarHBondContact O-CB 3.42Å; L110-S114 PolarHBondContact O-N 3.38Å; V111-S114 PolarHBondContact O-N 2.74Å; S114-G116 PolarHBondContact O-N 3.37Å; S114-M117 PolarHBondContact O-N 2.95Å; S114-N118 WeakPolarHBondContact O-CB 3.04Å; S114-N118 PolarHBondContact O-N 2.83Å; S114-N118 PolarHBondContact O-ND2 2.86Å; S114-N118 PolarHBondContact OG-ND2 3.31Å; S114-N118 VanDerWaalsContact OG-ND2 3.1Å |
| 115 | L | 94.9 | Very high | 92.8 | Very high | 26 Ų | 26 | 49.3 Ų | 49.3 | 14% | 0.136 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55.7 | -51.9 | 174.1 | 173.1 | 60.9 | 0 | 0 | 0 | 111.6 | V111 G112 G113 M117 N118 I119 S184 C188 L191 | V111-L115 VanDerWaalsContact O-CB 3.31Å; V111-L115 WeakPolarHBondContact O-CB 3.48Å; V111-L115 PolarHBondContact O-N 2.9Å; G112-L115 WeakPolarHBondContact O-CB 3.26Å; G112-L115 PolarHBondContact O-N 3.46Å; G113-L115 VanDerWaalsContact C-N 3.32Å; G113-L115 PolarHBondContact O-N 3.22Å; L115-M117 PolarHBondContact O-N 3.47Å; L115-N118 PolarHBondContact O-N 3.37Å; L115-I119 HydrophobicContact CD1-CD1 3.99Å; L115-I119 HydrophobicContact CD1-CG1 4.39Å; L115-I119 HydrophobicContact CG-CD1 4.18Å; L115-I119 WeakPolarHBondContact O-CG1 3.49Å; L115-I119 PolarHBondContact O-N 2.98Å; L115-S184 VanDerWaalsContact CD1-CA 3.48Å; L115-S184 WeakPolarHBondContact CD1-O 3.32Å; L115-C188 HydrophobicContact CD1-CB 4.42Å; L115-L191 HydrophobicContact CD2-CD2 4.41Å |
| 116 | G | 96.1 | Very high | 93.4 | Very high | 32 Ų | 32 | 44 Ų | 44 | 33% | 0.33 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.8 | -42.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G112 G113 S114 I119 T120 | G112-G116 PolarHBondContact O-N 2.88Å; G113-G116 PolarHBondContact O-N 2.96Å; S114-G116 PolarHBondContact O-N 3.37Å; G116-I119 PolarHBondContact O-N 2.96Å; G116-T120 PolarHBondContact O-N 3.19Å; G116-T120 PolarHBondContact O-OG1 2.87Å |
| 117 | M | 96.8 | Very high | 93.9 | Very high | 43 Ų | 43 | 41.5 Ų | 41.5 | 21% | 0.212 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69 | -36.3 | 178.3 | -69.4 | -53.6 | -54 | 0 | 0 | 112.6 | M91 I94 S95 L98 G113 S114 L115 T120 S121 | M91-M117 HydrophobicContact CE-CE 3.72Å; I94-M117 HydrophobicContact CB-CE 4.27Å; I94-M117 HydrophobicContact CG2-CE 3.73Å; S95-M117 PolarHBondContact OG-O 3.27Å; L98-M117 HydrophobicContact CD2-CB 4.24Å; L98-M117 HydrophobicContact CD2-CG 3.61Å; G113-M117 WeakPolarHBondContact O-CG 3.07Å; G113-M117 PolarHBondContact O-N 3.17Å; S114-M117 PolarHBondContact O-N 2.95Å; L115-M117 PolarHBondContact O-N 3.47Å; M117-T120 PolarHBondContact O-N 2.83Å; M117-S121 WeakPolarHBondContact O-CB 3.49Å; M117-S121 PolarHBondContact O-N 2.86Å |
| 118 | N | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.9 | -41.8 | 174.7 | -79.9 | -63.4 | 0 | 0 | 0 | 111.8 | Q51 S95 S99 S114 L115 T120 S121 S122 A180 L183 S184 | Q51-N118 PolarHBondContact NE2-OD1 2.95Å; Q51-N118 PolarHBondContact OE1-OD1 2.92Å; S95-N118 WeakPolarHBondContact OG-CA 3.26Å; S95-N118 PolarHBondContact OG-N 3.45Å; S95-N118 PolarHBondContact OG-OD1 3.41Å; S99-N118 PolarHBondContact OG-ND2 3.3Å; S114-N118 WeakPolarHBondContact O-CB 3.04Å; S114-N118 PolarHBondContact O-N 2.83Å; S114-N118 PolarHBondContact O-ND2 2.86Å; S114-N118 PolarHBondContact OG-ND2 3.31Å; S114-N118 VanDerWaalsContact OG-ND2 3.1Å; L115-N118 PolarHBondContact O-N 3.37Å; N118-T120 VanDerWaalsContact C-N 3.29Å; N118-T120 PolarHBondContact O-N 3.36Å; N118-S121 WeakPolarHBondContact O-CB 3.29Å; N118-S121 PolarHBondContact O-N 3.47Å; N118-S122 PolarHBondContact O-N 3.19Å; N118-S122 PolarHBondContact O-OG 2.9Å; N118-A180 HydrophobicContact CB-CB 4.42Å; N118-A180 WeakPolarHBondContact O-CB 3.49Å; N118-L183 HydrophobicContact CB-CB 4.34Å; N118-L183 WeakPolarHBondContact OD1-CD1 3.3Å; N118-S184 WeakPolarHBondContact CB-OG 3.37Å |
| 119 | I | 97.3 | Very high | 94.7 | Very high | 91 Ų | 91 | 35.3 Ų | 35.3 | 47% | 0.467 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.8 | -45.8 | 173.2 | -67.5 | 166.4 | 0 | 0 | 0 | 110.2 | L115 G116 S122 V123 S184 | L115-I119 HydrophobicContact CD1-CD1 3.99Å; L115-I119 HydrophobicContact CD1-CG1 4.39Å; L115-I119 HydrophobicContact CG-CD1 4.18Å; L115-I119 WeakPolarHBondContact O-CG1 3.49Å; L115-I119 PolarHBondContact O-N 2.98Å; G116-I119 PolarHBondContact O-N 2.96Å; I119-S122 WeakPolarHBondContact O-CB 3.42Å; I119-S122 PolarHBondContact O-N 3.44Å; I119-V123 PolarHBondContact O-N 3.07Å; I119-S184 PolarHBondContact N-OG 3.29Å |
| 120 | T | 97.1 | Very high | 94.9 | Very high | 50 Ų | 50 | 37.6 Ų | 37.6 | 31% | 0.307 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.1 | -47.6 | 176.6 | -53 | 0 | 0 | 0 | 0 | 110.3 | M91 G116 M117 N118 S122 V123 F124 | M91-T120 HydrophobicContact CE-CG2 3.62Å; G116-T120 PolarHBondContact O-N 3.19Å; G116-T120 PolarHBondContact O-OG1 2.87Å; M117-T120 PolarHBondContact O-N 2.83Å; N118-T120 VanDerWaalsContact C-N 3.29Å; N118-T120 PolarHBondContact O-N 3.36Å; T120-S122 VanDerWaalsContact C-N 3.28Å; T120-S122 PolarHBondContact O-N 3.16Å; T120-V123 WeakPolarHBondContact O-CB 3.28Å; T120-V123 PolarHBondContact O-N 2.97Å; T120-F124 HydrophobicContact CG2-CD2 3.88Å; T120-F124 HydrophobicContact CG2-CE2 3.57Å; T120-F124 WeakPolarHBondContact O-CD2 3.41Å; T120-F124 PolarHBondContact O-N 3.26Å; T120-F124 VanDerWaalsContact O-N 3.12Å |
| 121 | S | 97 | Very high | 95 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.007 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -54.5 | -42.8 | 176 | -166.6 | 0 | 0 | 0 | 0 | 111.9 | F92 M117 N118 V123 F124 A125 E176 | F92-S121 WeakPolarHBondContact CD1-OG 3.34Å; F92-S121 WeakPolarHBondContact CE1-OG 3.47Å; M117-S121 WeakPolarHBondContact O-CB 3.49Å; M117-S121 PolarHBondContact O-N 2.86Å; N118-S121 WeakPolarHBondContact O-CB 3.29Å; N118-S121 PolarHBondContact O-N 3.47Å; S121-V123 VanDerWaalsContact C-N 3.34Å; S121-V123 PolarHBondContact O-N 3.46Å; S121-F124 PolarHBondContact O-N 2.91Å; S121-A125 WeakPolarHBondContact O-CB 3.25Å; S121-A125 PolarHBondContact O-N 3.5Å; S121-E176 PolarHBondContact OG-OE1 2.95Å |
| 122 | S | 97.8 | Very high | 95 | Very high | 10 Ų | 10 | 36.1 Ų | 36.1 | 7% | 0.07 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.4 | -40.2 | 175.9 | -63.2 | 0 | 0 | 0 | 0 | 113.1 | N118 I119 T120 A125 I126 A180 | N118-S122 PolarHBondContact O-N 3.19Å; N118-S122 PolarHBondContact O-OG 2.9Å; I119-S122 WeakPolarHBondContact O-CB 3.42Å; I119-S122 PolarHBondContact O-N 3.44Å; T120-S122 VanDerWaalsContact C-N 3.28Å; T120-S122 PolarHBondContact O-N 3.16Å; S122-A125 PolarHBondContact O-N 3.03Å; S122-I126 WeakPolarHBondContact O-CG1 3.35Å; S122-I126 PolarHBondContact O-N 2.96Å; S122-A180 WeakPolarHBondContact OG-CB 3.12Å |
| 123 | V | 97.4 | Very high | 95 | Very high | 80 Ų | 80 | 37.2 Ų | 37.2 | 49% | 0.485 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.5 | -42.4 | 176.5 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | I119 T120 S121 A125 I126 T127 | I119-V123 PolarHBondContact O-N 3.07Å; T120-V123 WeakPolarHBondContact O-CB 3.28Å; T120-V123 PolarHBondContact O-N 2.97Å; S121-V123 VanDerWaalsContact C-N 3.34Å; S121-V123 PolarHBondContact O-N 3.46Å; V123-A125 VanDerWaalsContact C-N 3.35Å; V123-I126 PolarHBondContact O-N 3.29Å; V123-T127 PolarHBondContact O-N 2.99Å; V123-T127 PolarHBondContact O-OG1 3Å |
| 124 | F | 95.6 | Very high | 94.8 | Very high | 51 Ų | 51 | 40.5 Ų | 40.5 | 22% | 0.224 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.9 | -40.8 | 177.5 | -79.5 | -117.3 | 0 | 0 | 0 | 110.8 | Y84 W87 M91 F92 T120 S121 T127 G128 | Y84-F124 WeakPolarHBondContact CE2-O 3.49Å; W87-F124 AromaticContact CE3-CD1 3.22Å; W87-F124 HydrophobicContact CE3-CD1 3.22Å; W87-F124 AromaticContact CE3-CE1 3.25Å; W87-F124 HydrophobicContact CE3-CE1 3.25Å; W87-F124 HydrophobicContact CE3-CG 4.42Å; W87-F124 HydrophobicContact CH2-CD1 4.39Å; W87-F124 HydrophobicContact CZ3-CB 4.44Å; W87-F124 AromaticContact CZ3-CD1 3.08Å; W87-F124 HydrophobicContact CZ3-CD1 3.08Å; W87-F124 AromaticContact CZ3-CE1 3.3Å; W87-F124 HydrophobicContact CZ3-CE1 3.3Å; W87-F124 AromaticContact CZ3-CG 3.94Å; W87-F124 HydrophobicContact CZ3-CG 3.94Å; W87-F124 HydrophobicContact CZ3-CZ 4.36Å; M91-F124 HydrophobicContact CB-CD1 3.98Å; M91-F124 HydrophobicContact CB-CE1 4.39Å; M91-F124 HydrophobicContact CB-CG 4.38Å; M91-F124 HydrophobicContact CE-CE2 4.24Å; M91-F124 HydrophobicContact CE-CZ 4.17Å; M91-F124 HydrophobicContact CG-CD1 3.61Å; M91-F124 HydrophobicContact CG-CE1 3.53Å; M91-F124 HydrophobicContact CG-CG 4.34Å; M91-F124 HydrophobicContact CG-CZ 4.09Å; F92-F124 HydrophobicContact CE1-CB 3.86Å; T120-F124 HydrophobicContact CG2-CD2 3.88Å; T120-F124 HydrophobicContact CG2-CE2 3.57Å; T120-F124 WeakPolarHBondContact O-CD2 3.41Å; T120-F124 PolarHBondContact O-N 3.26Å; T120-F124 VanDerWaalsContact O-N 3.12Å; S121-F124 PolarHBondContact O-N 2.91Å; F124-T127 WeakPolarHBondContact O-CB 2.68Å; F124-T127 PolarHBondContact O-N 3.43Å; F124-G128 PolarHBondContact O-N 3.45Å |
| 125 | A | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.3 | -43.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F92 S121 S122 V123 T127 G128 I129 E176 F177 | F92-A125 HydrophobicContact CE1-CB 4.22Å; F92-A125 HydrophobicContact CZ-CB 3.97Å; S121-A125 WeakPolarHBondContact O-CB 3.25Å; S121-A125 PolarHBondContact O-N 3.5Å; S122-A125 PolarHBondContact O-N 3.03Å; V123-A125 VanDerWaalsContact C-N 3.35Å; A125-T127 VanDerWaalsContact C-N 3.33Å; A125-T127 PolarHBondContact O-N 3.15Å; A125-G128 PolarHBondContact O-N 2.85Å; A125-I129 WeakPolarHBondContact O-CD1 3.43Å; A125-I129 VanDerWaalsContact O-CG1 3.23Å; A125-I129 WeakPolarHBondContact O-CG1 3.3Å; A125-I129 PolarHBondContact O-N 2.97Å; A125-E176 HydrophobicContact CB-CB 4.38Å; A125-E176 HydrophobicContact CB-CG 4.2Å; A125-F177 HydrophobicContact CB-CB 3.89Å |
| 126 | I | 96.7 | Very high | 94.1 | Very high | 76 Ų | 76 | 42.5 Ų | 42.5 | 39% | 0.39 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60 | -45.5 | 173.3 | -70.2 | 166 | 0 | 0 | 0 | 110.7 | S122 V123 G128 I129 L130 F177 | S122-I126 WeakPolarHBondContact O-CG1 3.35Å; S122-I126 PolarHBondContact O-N 2.96Å; V123-I126 PolarHBondContact O-N 3.29Å; I126-G128 VanDerWaalsContact C-N 3.27Å; I126-G128 PolarHBondContact O-N 2.93Å; I126-I129 PolarHBondContact O-N 3.28Å; I126-I129 VanDerWaalsContact O-N 3.17Å; I126-L130 HydrophobicContact CG2-CD1 4.22Å; I126-L130 WeakPolarHBondContact O-CG 3.31Å; I126-L130 PolarHBondContact O-N 3.38Å; I126-F177 HydrophobicContact CD1-CD2 4.06Å; I126-F177 HydrophobicContact CD1-CE2 3.56Å; I126-F177 HydrophobicContact CD1-CZ 4.26Å; I126-F177 HydrophobicContact CG1-CD2 3.79Å; I126-F177 HydrophobicContact CG1-CE2 3.79Å |
| 127 | T | 93.9 | Very high | 93.7 | Very high | 52 Ų | 52 | 45.6 Ų | 45.6 | 32% | 0.319 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.7 | -43.7 | 178.1 | -53.9 | 0 | 0 | 0 | 0 | 110.6 | W87 V123 F124 A125 L130 I131 | W87-T127 HydrophobicContact CH2-CG2 3.91Å; V123-T127 PolarHBondContact O-N 2.99Å; V123-T127 PolarHBondContact O-OG1 3Å; F124-T127 WeakPolarHBondContact O-CB 2.68Å; F124-T127 PolarHBondContact O-N 3.43Å; A125-T127 VanDerWaalsContact C-N 3.33Å; A125-T127 PolarHBondContact O-N 3.15Å; T127-L130 PolarHBondContact O-N 3.4Å; T127-I131 HydrophobicContact CG2-CD1 3.86Å; T127-I131 WeakPolarHBondContact O-CB 3Å; T127-I131 VanDerWaalsContact O-CG1 3.25Å; T127-I131 WeakPolarHBondContact O-CG1 3.01Å; T127-I131 PolarHBondContact O-N 3.38Å |
| 128 | G | 92.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.5 | -44.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | F124 A125 I126 L130 I131 N132 | F124-G128 PolarHBondContact O-N 3.45Å; A125-G128 PolarHBondContact O-N 2.85Å; I126-G128 VanDerWaalsContact C-N 3.27Å; I126-G128 PolarHBondContact O-N 2.93Å; G128-L130 VanDerWaalsContact C-N 3.32Å; G128-L130 PolarHBondContact O-N 2.87Å; G128-I131 PolarHBondContact O-N 3.08Å; G128-N132 VanDerWaalsContact O-CB 3.31Å; G128-N132 WeakPolarHBondContact O-CB 3.48Å; G128-N132 PolarHBondContact O-N 3.26Å; G128-N132 PolarHBondContact O-OD1 3.16Å |
| 129 | I | 94.9 | Very high | 92.7 | Very high | 42 Ų | 42 | 52.4 Ų | 52.4 | 22% | 0.215 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 177.5 | -68.3 | 160.3 | 0 | 0 | 0 | 110.4 | A125 I126 N132 A133 V174 F177 | A125-I129 WeakPolarHBondContact O-CD1 3.43Å; A125-I129 VanDerWaalsContact O-CG1 3.23Å; A125-I129 WeakPolarHBondContact O-CG1 3.3Å; A125-I129 PolarHBondContact O-N 2.97Å; I126-I129 PolarHBondContact O-N 3.28Å; I126-I129 VanDerWaalsContact O-N 3.17Å; I129-N132 PolarHBondContact O-N 3.38Å; I129-A133 WeakPolarHBondContact O-CB 3.36Å; I129-A133 PolarHBondContact O-N 3.17Å; I129-V174 HydrophobicContact CD1-CB 4.49Å; I129-V174 HydrophobicContact CD1-CG2 3.79Å; I129-V174 HydrophobicContact CG1-CG2 3.96Å; I129-F177 HydrophobicContact CD1-CB 4.45Å |
| 130 | L | 93 | Very high | 92.3 | Very high | 107 Ų | 107 | 50 Ų | 50 | 56% | 0.56 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -66.3 | -48.1 | 178.8 | -68.4 | 174.4 | 0 | 0 | 0 | 111.7 | I126 T127 G128 N132 A133 I134 | I126-L130 HydrophobicContact CG2-CD1 4.22Å; I126-L130 WeakPolarHBondContact O-CG 3.31Å; I126-L130 PolarHBondContact O-N 3.38Å; T127-L130 PolarHBondContact O-N 3.4Å; G128-L130 VanDerWaalsContact C-N 3.32Å; G128-L130 PolarHBondContact O-N 2.87Å; L130-N132 PolarHBondContact O-N 3.25Å; L130-A133 PolarHBondContact O-N 2.8Å; L130-I134 VanDerWaalsContact O-CG1 3.3Å; L130-I134 WeakPolarHBondContact O-CG1 3.36Å; L130-I134 PolarHBondContact O-N 3.1Å; L130-I134 VanDerWaalsContact O-N 3.15Å |
| 131 | I | 90.7 | Very high | 91.8 | Very high | 34 Ų | 34 | 54.9 Ų | 54.9 | 17% | 0.174 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -54.1 | -48.5 | 174.4 | -74.1 | 172.7 | 0 | 0 | 0 | 108.7 | Y81 W87 T127 G128 I134 S135 | Y81-I131 HydrophobicContact CD2-CG2 3.48Å; Y81-I131 VanDerWaalsContact CD2-CG2 3.48Å; Y81-I131 HydrophobicContact CE2-CB 4.35Å; Y81-I131 HydrophobicContact CE2-CG2 3.1Å; Y81-I131 WeakPolarHBondContact CE2-O 3.47Å; Y81-I131 HydrophobicContact CG-CG2 4.41Å; W87-I131 HydrophobicContact CZ2-CD1 4.43Å; T127-I131 HydrophobicContact CG2-CD1 3.86Å; T127-I131 WeakPolarHBondContact O-CB 3Å; T127-I131 VanDerWaalsContact O-CG1 3.25Å; T127-I131 WeakPolarHBondContact O-CG1 3.01Å; T127-I131 PolarHBondContact O-N 3.38Å; G128-I131 PolarHBondContact O-N 3.08Å; I131-I134 PolarHBondContact O-N 3.36Å; I131-S135 PolarHBondContact O-N 2.47Å; I131-S135 VanDerWaalsContact O-N 3.1Å |
| 132 | N | 90.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.4 | -34.2 | -176.9 | -57.6 | -0.6 | 0 | 0 | 0 | 116.4 | Y81 G128 I129 L130 I134 S135 L136 V169 L170 | Y81-N132 VanDerWaalsContact CZ-OD1 3.27Å; Y81-N132 WeakPolarHBondContact OH-CA 3.11Å; Y81-N132 WeakPolarHBondContact OH-CB 3.42Å; Y81-N132 VanDerWaalsContact OH-CG 3.23Å; Y81-N132 PolarHBondContact OH-OD1 3.46Å; G128-N132 VanDerWaalsContact O-CB 3.31Å; G128-N132 WeakPolarHBondContact O-CB 3.48Å; G128-N132 PolarHBondContact O-N 3.26Å; G128-N132 PolarHBondContact O-OD1 3.16Å; I129-N132 PolarHBondContact O-N 3.38Å; L130-N132 PolarHBondContact O-N 3.25Å; N132-I134 VanDerWaalsContact C-N 3.29Å; N132-I134 PolarHBondContact O-N 3.05Å; N132-S135 PolarHBondContact O-N 3.4Å; N132-L136 WeakPolarHBondContact O-CB 3.46Å; N132-L136 PolarHBondContact O-N 3.43Å; N132-V169 VanDerWaalsContact ND2-CG1 3.31Å; N132-V169 WeakPolarHBondContact ND2-CG1 3.1Å; N132-L170 HydrophobicContact CB-CB 3.9Å; N132-L170 HydrophobicContact CB-CD1 3.89Å; N132-L170 HydrophobicContact CB-CG 4.31Å; N132-L170 PolarHBondContact ND2-N 3.02Å |
| 133 | A | 90.9 | Very high | 90.6 | Very high | 47 Ų | 47 | 59.1 Ų | 59.1 | 39% | 0.388 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.6 | -39.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I129 L130 T137 L170 | I129-A133 WeakPolarHBondContact O-CB 3.36Å; I129-A133 PolarHBondContact O-N 3.17Å; L130-A133 PolarHBondContact O-N 2.8Å; A133-T137 PolarHBondContact O-N 3.04Å; A133-T137 PolarHBondContact O-OG1 3.23Å; A133-L170 HydrophobicContact CB-CD1 4.41Å |
| 134 | I | 89.1 | Confident | 90.1 | Very high | 100 Ų | 100 | 60.1 Ų | 60.1 | 51% | 0.513 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.1 | -47.1 | 179.1 | -68.7 | 167 | 0 | 0 | 0 | 110.4 | L130 I131 N132 L136 T137 F138 | L130-I134 VanDerWaalsContact O-CG1 3.3Å; L130-I134 WeakPolarHBondContact O-CG1 3.36Å; L130-I134 PolarHBondContact O-N 3.1Å; L130-I134 VanDerWaalsContact O-N 3.15Å; I131-I134 PolarHBondContact O-N 3.36Å; N132-I134 VanDerWaalsContact C-N 3.29Å; N132-I134 PolarHBondContact O-N 3.05Å; I134-L136 PolarHBondContact O-N 3.35Å; I134-T137 VanDerWaalsContact O-CB 3.25Å; I134-T137 WeakPolarHBondContact O-CB 3.31Å; I134-T137 PolarHBondContact O-N 2.77Å; I134-T137 VanDerWaalsContact O-N 3.12Å; I134-F138 HydrophobicContact CG2-CD2 3.9Å; I134-F138 HydrophobicContact CG2-CE2 3.51Å; I134-F138 VanDerWaalsContact O-CD2 3.29Å; I134-F138 WeakPolarHBondContact O-CD2 3.16Å; I134-F138 PolarHBondContact O-N 2.88Å |
| 135 | S | 86.5 | Confident | 89.5 | Confident | 19 Ų | 19 | 64.2 Ų | 64.2 | 13% | 0.133 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.5 | -34.1 | 179.5 | -86.9 | 0 | 0 | 0 | 0 | 114.4 | Y81 I131 N132 T137 F138 Y139 | Y81-S135 WeakPolarHBondContact CD2-OG 3.42Å; Y81-S135 WeakPolarHBondContact CE2-OG 3.34Å; Y81-S135 VanDerWaalsContact CZ-OG 3.28Å; Y81-S135 WeakPolarHBondContact OH-CB 3.29Å; I131-S135 PolarHBondContact O-N 2.47Å; I131-S135 VanDerWaalsContact O-N 3.1Å; N132-S135 PolarHBondContact O-N 3.4Å; S135-T137 PolarHBondContact O-N 3.29Å; S135-F138 WeakPolarHBondContact O-CB 3.18Å; S135-F138 PolarHBondContact O-N 3.03Å; S135-Y139 VanDerWaalsContact O-CD2 3.24Å; S135-Y139 WeakPolarHBondContact O-CD2 3.49Å; S135-Y139 PolarHBondContact O-N 3.19Å |
| 136 | L | 88.5 | Confident | 88.9 | Confident | 57 Ų | 57 | 64.8 Ų | 64.8 | 30% | 0.298 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.5 | -34.4 | 172.9 | -165.8 | 69.9 | 0 | 0 | 0 | 111.6 | N132 I134 S140 M163 | N132-L136 WeakPolarHBondContact O-CB 3.46Å; N132-L136 PolarHBondContact O-N 3.43Å; I134-L136 PolarHBondContact O-N 3.35Å; L136-S140 WeakPolarHBondContact O-CB 3.37Å; L136-S140 PolarHBondContact O-N 3.47Å; L136-M163 HydrophobicContact CD1-CE 3.71Å; L136-M163 HydrophobicContact CD1-CG 3.54Å; L136-M163 HydrophobicContact CG-CE 4.04Å |
| 137 | T | 88.1 | Confident | 88.2 | Confident | 98 Ų | 98 | 65.3 Ų | 65.3 | 60% | 0.601 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -66.7 | -43.7 | 174.6 | -52.6 | 0 | 0 | 0 | 0 | 111.4 | A133 I134 S135 S140 F141 | A133-T137 PolarHBondContact O-N 3.04Å; A133-T137 PolarHBondContact O-OG1 3.23Å; I134-T137 VanDerWaalsContact O-CB 3.25Å; I134-T137 WeakPolarHBondContact O-CB 3.31Å; I134-T137 PolarHBondContact O-N 2.77Å; I134-T137 VanDerWaalsContact O-N 3.12Å; S135-T137 PolarHBondContact O-N 3.29Å; T137-S140 PolarHBondContact O-N 2.96Å; T137-F141 PolarHBondContact O-N 2.85Å |
| 138 | F | 87.2 | Confident | 87.6 | Confident | 135 Ų | 135 | 72.6 Ų | 72.6 | 59% | 0.592 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.1 | -41.5 | 175.8 | -75.5 | -70.9 | 0 | 0 | 0 | 112.9 | I134 S135 F141 S142 | I134-F138 HydrophobicContact CG2-CD2 3.9Å; I134-F138 HydrophobicContact CG2-CE2 3.51Å; I134-F138 VanDerWaalsContact O-CD2 3.29Å; I134-F138 WeakPolarHBondContact O-CD2 3.16Å; I134-F138 PolarHBondContact O-N 2.88Å; S135-F138 WeakPolarHBondContact O-CB 3.18Å; S135-F138 PolarHBondContact O-N 3.03Å; F138-F141 PolarHBondContact O-N 2.83Å; F138-S142 WeakPolarHBondContact O-CB 3.36Å; F138-S142 PolarHBondContact O-N 3.22Å; F138-S142 PolarHBondContact O-OG 2.74Å |
| 139 | Y | 85.9 | Confident | 87 | Confident | 51 Ų | 51 | 76.7 Ų | 76.7 | 20% | 0.2 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 175.4 | -75.4 | -56 | 0 | 0 | 0 | 111.7 | S135 F141 S142 Y143 V159 L162 M163 D166 | S135-Y139 VanDerWaalsContact O-CD2 3.24Å; S135-Y139 WeakPolarHBondContact O-CD2 3.49Å; S135-Y139 PolarHBondContact O-N 3.19Å; Y139-F141 PolarHBondContact O-N 3.49Å; Y139-S142 PolarHBondContact O-N 3.31Å; Y139-Y143 VanDerWaalsContact O-CB 3.27Å; Y139-Y143 WeakPolarHBondContact O-CB 3.42Å; Y139-Y143 PolarHBondContact O-N 2.89Å; Y139-V159 HydrophobicContact CD1-CG1 4.36Å; Y139-L162 HydrophobicContact CD1-CB 4.4Å; Y139-L162 HydrophobicContact CE1-CB 3.83Å; Y139-L162 HydrophobicContact CE1-CD1 4.22Å; Y139-M163 HydrophobicContact CG-CB 4.41Å; Y139-D166 HydrophobicContact CD2-CB 4.26Å; Y139-D166 HydrophobicContact CE2-CB 4.02Å |
| 140 | S | 87.9 | Confident | 85.7 | Confident | 41 Ų | 41 | 83.1 Ų | 83.1 | 29% | 0.287 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.6 | -45.3 | 175 | 179.4 | 0 | 0 | 0 | 0 | 111.9 | L136 T137 S142 Y143 H144 | L136-S140 WeakPolarHBondContact O-CB 3.37Å; L136-S140 PolarHBondContact O-N 3.47Å; T137-S140 PolarHBondContact O-N 2.96Å; S140-S142 PolarHBondContact O-N 2.74Å; S140-Y143 WeakPolarHBondContact O-CB 3.35Å; S140-Y143 PolarHBondContact O-N 2.81Å; S140-H144 PolarHBondContact O-CD2 3.4Å; S140-H144 PolarHBondContact O-N 3.35Å |
| 141 | F | 86.8 | Confident | 84.5 | Confident | 151 Ų | 151 | 82.4 Ų | 82.4 | 66% | 0.662 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61 | -46 | 175.4 | -177.3 | -96.3 | 0 | 0 | 0 | 111.9 | T137 F138 Y139 Y143 H144 Y145 | T137-F141 PolarHBondContact O-N 2.85Å; F138-F141 PolarHBondContact O-N 2.83Å; Y139-F141 PolarHBondContact O-N 3.49Å; F141-Y143 VanDerWaalsContact C-N 3.32Å; F141-Y143 PolarHBondContact O-N 3.43Å; F141-H144 PolarHBondContact O-N 3.44Å; F141-Y145 WeakPolarHBondContact O-CB 3.26Å; F141-Y145 PolarHBondContact O-N 3.23Å |
| 142 | S | 84.6 | Confident | 83.5 | Confident | 42 Ų | 42 | 84.1 Ų | 84.1 | 29% | 0.294 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64 | -37.6 | 179.5 | -57 | 0 | 0 | 0 | 0 | 112.2 | F138 Y139 S140 Y145 C146 | F138-S142 WeakPolarHBondContact O-CB 3.36Å; F138-S142 PolarHBondContact O-N 3.22Å; F138-S142 PolarHBondContact O-OG 2.74Å; Y139-S142 PolarHBondContact O-N 3.31Å; S140-S142 PolarHBondContact O-N 2.74Å; S142-Y145 PolarHBondContact O-N 3.49Å; S142-C146 PolarHBondContact O-N 3.11Å |
| 143 | Y | 85.3 | Confident | 82.6 | Confident | 59 Ų | 59 | 90.9 Ų | 90.9 | 23% | 0.231 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -62.1 | -48.6 | 175.3 | 173.3 | -91.5 | 0 | 0 | 0 | 111.2 | Y139 S140 F141 Y145 C146 N147 Y156 | Y139-Y143 VanDerWaalsContact O-CB 3.27Å; Y139-Y143 WeakPolarHBondContact O-CB 3.42Å; Y139-Y143 PolarHBondContact O-N 2.89Å; S140-Y143 WeakPolarHBondContact O-CB 3.35Å; S140-Y143 PolarHBondContact O-N 2.81Å; F141-Y143 VanDerWaalsContact C-N 3.32Å; F141-Y143 PolarHBondContact O-N 3.43Å; Y143-Y145 VanDerWaalsContact C-N 3.31Å; Y143-Y145 PolarHBondContact O-N 2.92Å; Y143-C146 PolarHBondContact O-N 2.78Å; Y143-N147 WeakPolarHBondContact O-CB 3.45Å; Y143-N147 PolarHBondContact O-N 3.29Å; Y143-Y156 HydrophobicContact CD2-CD2 4.1Å; Y143-Y156 HydrophobicContact CD2-CE2 4.03Å; Y143-Y156 HydrophobicContact CE1-CE2 4.25Å; Y143-Y156 AromaticContact CE2-CD2 3.6Å; Y143-Y156 HydrophobicContact CE2-CD2 3.6Å; Y143-Y156 HydrophobicContact CE2-CE1 4.35Å; Y143-Y156 AromaticContact CE2-CE2 3.09Å; Y143-Y156 HydrophobicContact CE2-CE2 3.09Å; Y143-Y156 HydrophobicContact CE2-CG 4.43Å; Y143-Y156 AromaticContact CE2-CZ 3.52Å; Y143-Y156 AromaticContact CZ-CE2 3.24Å; Y143-Y156 AromaticContact CZ-CZ 3.74Å; Y143-Y156 WeakPolarHBondContact OH-CE2 3.29Å; Y143-Y156 VanDerWaalsContact OH-CZ 3.31Å; Y143-Y156 PolarHBondContact OH-OH 3.37Å |
| 144 | H | 86.1 | Confident | 82 | Confident | 101 Ų | 101 | 94.2 Ų | 94.2 | 47% | 0.468 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.2 | -38.1 | 176.5 | -75.8 | -60.5 | 0 | 0 | 0 | 112.2 | S140 F141 N147 R148 | S140-H144 PolarHBondContact O-CD2 3.4Å; S140-H144 PolarHBondContact O-N 3.35Å; F141-H144 PolarHBondContact O-N 3.44Å; H144-N147 PolarHBondContact O-N 3Å; H144-R148 VanDerWaalsContact O-CB 3.3Å; H144-R148 WeakPolarHBondContact O-CB 3.47Å; H144-R148 VanDerWaalsContact O-CG 3.22Å; H144-R148 WeakPolarHBondContact O-CG 3.22Å; H144-R148 PolarHBondContact O-N 3.44Å |
| 145 | Y | 84.4 | Confident | 81.7 | Confident | 137 Ų | 137 | 91 Ų | 91 | 54% | 0.537 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.8 | -49.6 | 176.1 | -177.4 | -92.6 | 0 | 0 | 0 | 112.1 | F141 S142 Y143 N147 R148 N149 | F141-Y145 WeakPolarHBondContact O-CB 3.26Å; F141-Y145 PolarHBondContact O-N 3.23Å; S142-Y145 PolarHBondContact O-N 3.49Å; Y143-Y145 VanDerWaalsContact C-N 3.31Å; Y143-Y145 PolarHBondContact O-N 2.92Å; Y145-N147 VanDerWaalsContact C-N 3.33Å; Y145-N147 PolarHBondContact O-N 3.33Å; Y145-R148 PolarHBondContact O-N 3.32Å; Y145-N149 WeakPolarHBondContact CD2-ND2 3.49Å; Y145-N149 WeakPolarHBondContact CE1-ND2 3.36Å; Y145-N149 WeakPolarHBondContact CE2-ND2 3.29Å; Y145-N149 PolarHBondContact O-N 2.95Å; Y145-N149 VanDerWaalsContact O-N 3.09Å; Y145-N149 PolarHBondContact O-ND2 3.11Å |
| 146 | C | 83.8 | Confident | 81.5 | Confident | 11 Ų | 11 | 94.5 Ų | 94.5 | 7% | 0.074 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -64.9 | -36.4 | 177.8 | -85.5 | 0 | 0 | 0 | 0 | 112.5 | S142 Y143 L151 C155 | S142-C146 PolarHBondContact O-N 3.11Å; Y143-C146 PolarHBondContact O-N 2.78Å; C146-L151 HydrophobicContact CB-CB 4.49Å; C146-L151 PolarHBondContact O-N 3.19Å; C146-C155 HydrophobicContact CB-CB 3.92Å; C146-C155 WeakPolarHBondContact CB-SG 3.5Å; C146-C155 WeakPolarHBondContact SG-CB 3.3Å; C146-C155 CovalentContact SG-SG 2.04Å; C146-C155 PolarHBondContact SG-SG 3.02Å |
| 147 | N | 81.9 | Confident | 81.3 | Confident | 87 Ų | 87 | 97.7 Ų | 97.7 | 47% | 0.465 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.6 | -41.4 | 175.6 | -173.8 | 62.9 | 0 | 0 | 0 | 112.8 | Y143 H144 Y145 Y156 | Y143-N147 WeakPolarHBondContact O-CB 3.45Å; Y143-N147 PolarHBondContact O-N 3.29Å; H144-N147 PolarHBondContact O-N 3Å; Y145-N147 VanDerWaalsContact C-N 3.33Å; Y145-N147 PolarHBondContact O-N 3.33Å; N147-Y156 HydrophobicContact CB-CD2 4.39Å |
| 148 | R | 81.1 | Confident | 81.1 | Confident | 205 Ų | 205 | 95.8 Ų | 95.8 | 77% | 0.774 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -71 | -41.9 | -177.5 | -78.7 | -72.7 | -171 | -174.4 | 1.1 | 113 | H144 Y145 Q150 | H144-R148 VanDerWaalsContact O-CB 3.3Å; H144-R148 WeakPolarHBondContact O-CB 3.47Å; H144-R148 VanDerWaalsContact O-CG 3.22Å; H144-R148 WeakPolarHBondContact O-CG 3.22Å; H144-R148 PolarHBondContact O-N 3.44Å; Y145-R148 PolarHBondContact O-N 3.32Å; R148-Q150 PolarHBondContact O-N 3Å |
| 149 | N | 79.1 | Confident | 81 | Confident | 86 Ų | 86 | 90.2 Ų | 90.2 | 46% | 0.46 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 6.4 | -176.4 | -67.2 | -33.9 | 0 | 0 | 0 | 113.4 | Y145 L151 | Y145-N149 WeakPolarHBondContact CD2-ND2 3.49Å; Y145-N149 WeakPolarHBondContact CE1-ND2 3.36Å; Y145-N149 WeakPolarHBondContact CE2-ND2 3.29Å; Y145-N149 PolarHBondContact O-N 2.95Å; Y145-N149 VanDerWaalsContact O-N 3.09Å; Y145-N149 PolarHBondContact O-ND2 3.11Å; N149-L151 PolarHBondContact O-N 3.27Å |
| 150 | Q | 68.8 | Low | 81 | Confident | 177 Ų | 177 | 90.4 Ų | 90.4 | 83% | 0.827 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.2 | 39.2 | -172.8 | -66.9 | -177 | -30.8 | 0 | 0 | 111.8 | R148 | R148-Q150 PolarHBondContact O-N 3Š|
| 151 | L | 66.8 | Low | 81 | Confident | 93 Ų | 93 | 92.9 Ų | 92.9 | 49% | 0.487 | 46% | 0.46 | S | S | . | . | trans | -63.2 | 154.9 | 174.7 | -151.3 | 76.3 | 0 | 0 | 0 | 108 | C146 N149 N153 C155 | C146-L151 HydrophobicContact CB-CB 4.49Å; C146-L151 PolarHBondContact O-N 3.19Å; N149-L151 PolarHBondContact O-N 3.27Å; L151-N153 PolarHBondContact O-N 3.12Å; L151-C155 HydrophobicContact CD2-CB 3.97Å | ||
| 152 | S | 69.6 | Low | 81.1 | Confident | 69 Ų | 69 | 86.9 Ų | 86.9 | 48% | 0.483 | 44% | 0.435 | S | S | . | . | trans | -34 | 136 | -180 | 171.1 | 0 | 0 | 0 | 0 | 113.3 | N154 C155 | S152-N154 PolarHBondContact O-N 3.47Å; S152-N154 PolarHBondContact OG-N 3.42Å; S152-C155 PolarHBondContact O-N 3.43Å | ||
| 153 | N | 71.8 | Confident | 81.2 | Confident | 142 Ų | 142 | 87.3 Ų | 87.3 | 76% | 0.759 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -48 | -26.5 | 176.2 | -71.8 | -17.1 | 0 | 0 | 0 | 113.1 | L151 M157 | L151-N153 PolarHBondContact O-N 3.12Å; N153-M157 PolarHBondContact O-N 3.2Å |
| 154 | N | 79.7 | Confident | 81.5 | Confident | 117 Ų | 117 | 86.5 Ų | 86.5 | 63% | 0.626 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -64.8 | -38.4 | 176.6 | -59.8 | -20.5 | 0 | 0 | 0 | 112.4 | S152 T158 | S152-N154 PolarHBondContact O-N 3.47Å; S152-N154 PolarHBondContact OG-N 3.42Å; N154-T158 WeakPolarHBondContact O-CB 3.25Å; N154-T158 PolarHBondContact O-N 3.26Å; N154-T158 PolarHBondContact O-OG1 3.16Å |
| 155 | C | 81.5 | Confident | 81.7 | Confident | 32 Ų | 32 | 82.6 Ų | 82.6 | 22% | 0.216 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.7 | -51.3 | 178.9 | 179 | 0 | 0 | 0 | 0 | 111.4 | C146 L151 S152 M157 T158 V159 | C146-C155 HydrophobicContact CB-CB 3.92Å; C146-C155 WeakPolarHBondContact CB-SG 3.5Å; C146-C155 WeakPolarHBondContact SG-CB 3.3Å; C146-C155 CovalentContact SG-SG 2.04Å; C146-C155 PolarHBondContact SG-SG 3.02Å; L151-C155 HydrophobicContact CD2-CB 3.97Å; S152-C155 PolarHBondContact O-N 3.43Å; C155-M157 VanDerWaalsContact C-N 3.3Å; C155-M157 PolarHBondContact O-N 2.83Å; C155-T158 PolarHBondContact O-N 3.02Å; C155-V159 WeakPolarHBondContact O-CG2 3.46Å; C155-V159 PolarHBondContact O-N 3.23Å |
| 156 | Y | 82.1 | Confident | 82 | Confident | 94 Ų | 94 | 76 Ų | 76 | 37% | 0.369 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -56.6 | -46.7 | -178.3 | 173.2 | -86.4 | 0 | 0 | 0 | 111.3 | Y143 N147 S160 | Y143-Y156 HydrophobicContact CD2-CD2 4.1Å; Y143-Y156 HydrophobicContact CD2-CE2 4.03Å; Y143-Y156 HydrophobicContact CE1-CE2 4.25Å; Y143-Y156 AromaticContact CE2-CD2 3.6Å; Y143-Y156 HydrophobicContact CE2-CD2 3.6Å; Y143-Y156 HydrophobicContact CE2-CE1 4.35Å; Y143-Y156 AromaticContact CE2-CE2 3.09Å; Y143-Y156 HydrophobicContact CE2-CE2 3.09Å; Y143-Y156 HydrophobicContact CE2-CG 4.43Å; Y143-Y156 AromaticContact CE2-CZ 3.52Å; Y143-Y156 AromaticContact CZ-CE2 3.24Å; Y143-Y156 AromaticContact CZ-CZ 3.74Å; Y143-Y156 WeakPolarHBondContact OH-CE2 3.29Å; Y143-Y156 VanDerWaalsContact OH-CZ 3.31Å; Y143-Y156 PolarHBondContact OH-OH 3.37Å; N147-Y156 HydrophobicContact CB-CD2 4.39Å; Y156-S160 VanDerWaalsContact O-CB 3.27Å; Y156-S160 WeakPolarHBondContact O-CB 3.24Å; Y156-S160 PolarHBondContact O-N 3.41Å |
| 157 | M | 84.1 | Confident | 82.4 | Confident | 124 Ų | 124 | 76.5 Ų | 76.5 | 61% | 0.611 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -64.4 | -46.8 | 179.3 | -175.6 | 174.7 | -79.2 | 0 | 0 | 111.7 | N153 C155 S160 I161 | N153-M157 PolarHBondContact O-N 3.2Å; C155-M157 VanDerWaalsContact C-N 3.3Å; C155-M157 PolarHBondContact O-N 2.83Å; M157-S160 PolarHBondContact O-N 3.44Å; M157-I161 HydrophobicContact CG-CD1 3.89Å; M157-I161 VanDerWaalsContact O-CG1 3.29Å; M157-I161 WeakPolarHBondContact O-CG1 3.43Å; M157-I161 PolarHBondContact O-N 3.01Å |
| 158 | T | 83.8 | Confident | 83 | Confident | 57 Ų | 57 | 77 Ų | 77 | 35% | 0.35 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.8 | -47.8 | 179.2 | -62.3 | 0 | 0 | 0 | 0 | 112.1 | V68 N154 C155 S160 I161 L162 | V68-T158 HydrophobicContact CG1-CG2 4.12Å; N154-T158 WeakPolarHBondContact O-CB 3.25Å; N154-T158 PolarHBondContact O-N 3.26Å; N154-T158 PolarHBondContact O-OG1 3.16Å; C155-T158 PolarHBondContact O-N 3.02Å; T158-S160 VanDerWaalsContact C-N 3.34Å; T158-S160 PolarHBondContact O-N 3.28Å; T158-I161 PolarHBondContact O-N 2.91Å; T158-L162 HydrophobicContact CG2-CD1 4.05Å; T158-L162 WeakPolarHBondContact O-CG 3.34Å; T158-L162 PolarHBondContact O-N 3.3Å |
| 159 | V | 85.5 | Confident | 83.6 | Confident | 19 Ų | 19 | 67.2 Ų | 67.2 | 12% | 0.115 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 179.4 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | Y139 C155 L162 M163 | Y139-V159 HydrophobicContact CD1-CG1 4.36Å; C155-V159 WeakPolarHBondContact O-CG2 3.46Å; C155-V159 PolarHBondContact O-N 3.23Å; V159-L162 PolarHBondContact O-N 3.34Å; V159-M163 VanDerWaalsContact O-CB 3.25Å; V159-M163 WeakPolarHBondContact O-CB 3.49Å; V159-M163 PolarHBondContact O-N 3.16Å |
| 160 | S | 87.1 | Confident | 84.3 | Confident | 54 Ų | 54 | 64.9 Ų | 64.9 | 38% | 0.378 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 177.1 | -179.2 | 0 | 0 | 0 | 0 | 112.4 | Y156 M157 T158 M163 G164 | Y156-S160 VanDerWaalsContact O-CB 3.27Å; Y156-S160 WeakPolarHBondContact O-CB 3.24Å; Y156-S160 PolarHBondContact O-N 3.41Å; M157-S160 PolarHBondContact O-N 3.44Å; T158-S160 VanDerWaalsContact C-N 3.34Å; T158-S160 PolarHBondContact O-N 3.28Å; S160-M163 PolarHBondContact O-N 2.97Å; S160-G164 PolarHBondContact O-N 3.44Å |
| 161 | I | 87.9 | Confident | 85.7 | Confident | 94 Ų | 94 | 61.2 Ų | 61.2 | 48% | 0.482 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.7 | -48.4 | 176.4 | -69.1 | 166.4 | 0 | 0 | 0 | 110.6 | M157 T158 M163 G164 M165 | M157-I161 HydrophobicContact CG-CD1 3.89Å; M157-I161 VanDerWaalsContact O-CG1 3.29Å; M157-I161 WeakPolarHBondContact O-CG1 3.43Å; M157-I161 PolarHBondContact O-N 3.01Å; T158-I161 PolarHBondContact O-N 2.91Å; I161-M163 VanDerWaalsContact C-N 3.34Å; I161-M163 PolarHBondContact O-N 3.33Å; I161-G164 PolarHBondContact O-N 2.91Å; I161-G164 VanDerWaalsContact O-N 3.16Å; I161-M165 HydrophobicContact CG2-CG 4.46Å; I161-M165 HydrophobicContact CG2-SD 4.11Å; I161-M165 WeakPolarHBondContact O-CG 3.16Å; I161-M165 PolarHBondContact O-N 3.01Å |
| 162 | L | 87.5 | Confident | 87.1 | Confident | 24 Ų | 24 | 57.8 Ų | 57.8 | 13% | 0.126 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 179.1 | -69.4 | 174.7 | 0 | 0 | 0 | 111.8 | M65 V68 Y139 T158 V159 G164 M165 D166 | M65-L162 HydrophobicContact CB-CD2 4.36Å; M65-L162 HydrophobicContact CG-CD2 3.98Å; V68-L162 HydrophobicContact CB-CD2 4.46Å; V68-L162 HydrophobicContact CG1-CD2 4.19Å; Y139-L162 HydrophobicContact CD1-CB 4.4Å; Y139-L162 HydrophobicContact CE1-CB 3.83Å; Y139-L162 HydrophobicContact CE1-CD1 4.22Å; T158-L162 HydrophobicContact CG2-CD1 4.05Å; T158-L162 WeakPolarHBondContact O-CG 3.34Å; T158-L162 PolarHBondContact O-N 3.3Å; V159-L162 PolarHBondContact O-N 3.34Å; L162-G164 VanDerWaalsContact C-N 3.31Å; L162-G164 PolarHBondContact O-N 3.47Å; L162-M165 PolarHBondContact O-N 3.01Å; L162-D166 WeakPolarHBondContact O-CB 3.3Å; L162-D166 PolarHBondContact O-N 3.47Å |
| 163 | M | 88.3 | Confident | 88.4 | Confident | 52 Ų | 52 | 54.5 Ų | 54.5 | 26% | 0.256 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.4 | -41.8 | 174.5 | -169.5 | -177.7 | -171.1 | 0 | 0 | 111.8 | L136 Y139 V159 S160 I161 G167 | L136-M163 HydrophobicContact CD1-CE 3.71Å; L136-M163 HydrophobicContact CD1-CG 3.54Å; L136-M163 HydrophobicContact CG-CE 4.04Å; Y139-M163 HydrophobicContact CG-CB 4.41Å; V159-M163 VanDerWaalsContact O-CB 3.25Å; V159-M163 WeakPolarHBondContact O-CB 3.49Å; V159-M163 PolarHBondContact O-N 3.16Å; S160-M163 PolarHBondContact O-N 2.97Å; I161-M163 VanDerWaalsContact C-N 3.34Å; I161-M163 PolarHBondContact O-N 3.33Å; M163-G167 PolarHBondContact O-N 2.77Å |
| 164 | G | 90.8 | Very high | 89.6 | Confident | 41 Ų | 41 | 50.5 Ų | 50.5 | 42% | 0.423 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.8 | -46.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | S160 I161 L162 D166 G167 M168 | S160-G164 PolarHBondContact O-N 3.44Å; I161-G164 PolarHBondContact O-N 2.91Å; I161-G164 VanDerWaalsContact O-N 3.16Å; L162-G164 VanDerWaalsContact C-N 3.31Å; L162-G164 PolarHBondContact O-N 3.47Å; G164-D166 VanDerWaalsContact C-N 3.31Å; G164-D166 PolarHBondContact O-N 2.81Å; G164-G167 PolarHBondContact O-N 3.42Å; G164-M168 WeakPolarHBondContact O-CG 3.39Å; G164-M168 PolarHBondContact O-N 3.31Å |
| 165 | M | 90.3 | Very high | 90.4 | Very high | 19 Ų | 19 | 49.3 Ų | 49.3 | 9% | 0.094 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.9 | -43 | 176.4 | -69.5 | 178 | 74 | 0 | 0 | 111.8 | M61 V64 M65 I161 L162 M168 V169 | M61-M165 HydrophobicContact CB-CE 4.22Å; M61-M165 VanDerWaalsContact O-CE 3.26Å; M61-M165 WeakPolarHBondContact O-CE 3.35Å; M61-M165 HydrophobicContact SD-CB 4.41Å; M61-M165 HydrophobicContact SD-CE 3.6Å; M61-M165 HydrophobicContact SD-CG 4.07Å; V64-M165 HydrophobicContact CB-CE 3.56Å; V64-M165 HydrophobicContact CG1-CE 3.45Å; V64-M165 VanDerWaalsContact CG1-CE 3.45Å; V64-M165 HydrophobicContact CG1-SD 4.1Å; M65-M165 HydrophobicContact CG-CB 4.19Å; M65-M165 HydrophobicContact CG-CE 3.53Å; M65-M165 HydrophobicContact CG-SD 3.92Å; M65-M165 HydrophobicContact SD-CB 4.07Å; I161-M165 HydrophobicContact CG2-CG 4.46Å; I161-M165 HydrophobicContact CG2-SD 4.11Å; I161-M165 WeakPolarHBondContact O-CG 3.16Å; I161-M165 PolarHBondContact O-N 3.01Å; L162-M165 PolarHBondContact O-N 3.01Å; M165-M168 WeakPolarHBondContact O-CB 3.2Å; M165-M168 PolarHBondContact O-N 3.41Å; M165-M168 VanDerWaalsContact O-N 3.16Å; M165-V169 WeakPolarHBondContact O-CG2 3.26Å; M165-V169 PolarHBondContact O-N 3Å |
| 166 | D | 90.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 177.1 | -164.7 | 53.6 | 0 | 0 | 0 | 112.5 | Y81 Y139 L162 G164 M168 V169 L170 | Y81-D166 WeakPolarHBondContact CE1-OD1 3.48Å; Y81-D166 PolarHBondContact OH-OD1 3.02Å; Y81-D166 PolarHBondContact OH-OD2 2.99Å; Y81-D166 VanDerWaalsContact OH-OD2 3.08Å; Y139-D166 HydrophobicContact CD2-CB 4.26Å; Y139-D166 HydrophobicContact CE2-CB 4.02Å; L162-D166 WeakPolarHBondContact O-CB 3.3Å; L162-D166 PolarHBondContact O-N 3.47Å; G164-D166 VanDerWaalsContact C-N 3.31Å; G164-D166 PolarHBondContact O-N 2.81Å; D166-M168 VanDerWaalsContact C-N 3.31Å; D166-M168 PolarHBondContact O-N 2.96Å; D166-V169 PolarHBondContact O-N 3.43Å; D166-L170 PolarHBondContact O-N 2.85Å |
| 167 | G | 92.3 | Very high | 91.9 | Very high | 20 Ų | 20 | 46.6 Ų | 46.6 | 21% | 0.206 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.7 | -40.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | M163 G164 L170 L171 | M163-G167 PolarHBondContact O-N 2.77Å; G164-G167 PolarHBondContact O-N 3.42Å; G167-L170 WeakPolarHBondContact O-CB 3.36Å; G167-L170 PolarHBondContact O-N 2.86Å; G167-L171 WeakPolarHBondContact O-CG 3.4Å; G167-L171 PolarHBondContact O-N 3.48Å |
| 168 | M | 94.6 | Very high | 92.4 | Very high | 97 Ų | 97 | 43.7 Ų | 43.7 | 48% | 0.478 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.7 | -42.9 | 175.8 | -67 | -57.7 | -65.9 | 0 | 0 | 112.1 | G164 M165 D166 L170 L171 L172 | G164-M168 WeakPolarHBondContact O-CG 3.39Å; G164-M168 PolarHBondContact O-N 3.31Å; M165-M168 WeakPolarHBondContact O-CB 3.2Å; M165-M168 PolarHBondContact O-N 3.41Å; M165-M168 VanDerWaalsContact O-N 3.16Å; D166-M168 VanDerWaalsContact C-N 3.31Å; D166-M168 PolarHBondContact O-N 2.96Å; M168-L170 VanDerWaalsContact C-N 3.32Å; M168-L170 PolarHBondContact O-N 2.98Å; M168-L171 PolarHBondContact O-N 3.26Å; M168-L171 HydrophobicContact SD-CD1 4.32Å; M168-L172 WeakPolarHBondContact O-CB 3.38Å; M168-L172 VanDerWaalsContact O-CG 3.3Å; M168-L172 WeakPolarHBondContact O-CG 3.37Å; M168-L172 PolarHBondContact O-N 3.39Å |
| 169 | V | 94.2 | Very high | 93 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65 | -37.2 | 176.1 | 179.5 | 0 | 0 | 0 | 0 | 111.1 | M61 M65 Y84 T85 N132 M165 D166 L172 S173 | M61-V169 HydrophobicContact CB-CG2 3.77Å; M61-V169 HydrophobicContact CG-CG2 4.39Å; M65-V169 HydrophobicContact CE-CG2 4.18Å; Y84-V169 HydrophobicContact CE1-CG1 4.05Å; T85-V169 HydrophobicContact CG2-CG1 3.98Å; T85-V169 HydrophobicContact CG2-CG2 4.39Å; N132-V169 VanDerWaalsContact ND2-CG1 3.31Å; N132-V169 WeakPolarHBondContact ND2-CG1 3.1Å; M165-V169 WeakPolarHBondContact O-CG2 3.26Å; M165-V169 PolarHBondContact O-N 3Å; D166-V169 PolarHBondContact O-N 3.43Å; V169-L172 PolarHBondContact O-N 3.16Å; V169-S173 WeakPolarHBondContact O-CB 3.45Å; V169-S173 PolarHBondContact O-N 2.92Å; V169-S173 PolarHBondContact O-OG 2.98Å |
| 170 | L | 94.8 | Very high | 93.5 | Very high | 37 Ų | 37 | 41 Ų | 41 | 19% | 0.194 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.6 | -47.5 | 173.8 | -178.2 | 144.5 | 0 | 0 | 0 | 111.4 | N132 A133 D166 G167 M168 L172 S173 V174 | N132-L170 HydrophobicContact CB-CB 3.9Å; N132-L170 HydrophobicContact CB-CD1 3.89Å; N132-L170 HydrophobicContact CB-CG 4.31Å; N132-L170 PolarHBondContact ND2-N 3.02Å; A133-L170 HydrophobicContact CB-CD1 4.41Å; D166-L170 PolarHBondContact O-N 2.85Å; G167-L170 WeakPolarHBondContact O-CB 3.36Å; G167-L170 PolarHBondContact O-N 2.86Å; M168-L170 VanDerWaalsContact C-N 3.32Å; M168-L170 PolarHBondContact O-N 2.98Å; L170-L172 PolarHBondContact O-N 3.47Å; L170-S173 PolarHBondContact O-N 3.41Å; L170-V174 WeakPolarHBondContact O-CG2 3.34Å; L170-V174 PolarHBondContact O-N 3.41Å |
| 171 | L | 96.8 | Very high | 93.8 | Very high | 101 Ų | 101 | 41.6 Ų | 41.6 | 53% | 0.529 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.6 | -44.5 | 176.6 | -70.5 | 172.7 | 0 | 0 | 0 | 111.9 | G167 M168 S173 V174 L175 | G167-L171 WeakPolarHBondContact O-CG 3.4Å; G167-L171 PolarHBondContact O-N 3.48Å; M168-L171 PolarHBondContact O-N 3.26Å; M168-L171 HydrophobicContact SD-CD1 4.32Å; L171-S173 VanDerWaalsContact C-N 3.3Å; L171-S173 PolarHBondContact O-N 2.94Å; L171-V174 PolarHBondContact O-N 3.26Å; L171-L175 WeakPolarHBondContact O-CG 3.46Å; L171-L175 PolarHBondContact O-N 3.02Å |
| 172 | L | 96.3 | Very high | 94.1 | Very high | 21 Ų | 21 | 38.5 Ų | 38.5 | 11% | 0.11 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.1 | -39.5 | 175.2 | -74.3 | 174.6 | 0 | 0 | 0 | 112.1 | I54 M57 M168 V169 L170 L175 E176 | I54-L172 HydrophobicContact CG1-CD2 4.17Å; I54-L172 HydrophobicContact CG2-CB 4.04Å; I54-L172 HydrophobicContact CG2-CD2 4.24Å; I54-L172 WeakPolarHBondContact CG2-O 3.46Å; M57-L172 HydrophobicContact CB-CD1 3.78Å; M57-L172 HydrophobicContact SD-CD2 4.36Å; M168-L172 WeakPolarHBondContact O-CB 3.38Å; M168-L172 VanDerWaalsContact O-CG 3.3Å; M168-L172 WeakPolarHBondContact O-CG 3.37Å; M168-L172 PolarHBondContact O-N 3.39Å; V169-L172 PolarHBondContact O-N 3.16Å; L170-L172 PolarHBondContact O-N 3.47Å; L172-L175 PolarHBondContact O-N 3.34Å; L172-E176 PolarHBondContact O-N 3.06Å |
| 173 | S | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.4 | -36.8 | 177.5 | -55.9 | 0 | 0 | 0 | 0 | 112.1 | Y84 V169 L170 L171 E176 F177 | Y84-S173 PolarHBondContact OH-OG 3.36Å; V169-S173 WeakPolarHBondContact O-CB 3.45Å; V169-S173 PolarHBondContact O-N 2.92Å; V169-S173 PolarHBondContact O-OG 2.98Å; L170-S173 PolarHBondContact O-N 3.41Å; L171-S173 VanDerWaalsContact C-N 3.3Å; L171-S173 PolarHBondContact O-N 2.94Å; S173-E176 PolarHBondContact O-N 2.81Å; S173-F177 WeakPolarHBondContact O-CB 3.27Å; S173-F177 PolarHBondContact O-N 3.47Å |
| 174 | V | 97.8 | Very high | 94.6 | Very high | 58 Ų | 58 | 35.8 Ų | 35.8 | 35% | 0.352 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.6 | -43.3 | 172.8 | 174.6 | 0 | 0 | 0 | 0 | 111 | I129 L170 L171 F177 C178 | I129-V174 HydrophobicContact CD1-CB 4.49Å; I129-V174 HydrophobicContact CD1-CG2 3.79Å; I129-V174 HydrophobicContact CG1-CG2 3.96Å; L170-V174 WeakPolarHBondContact O-CG2 3.34Å; L170-V174 PolarHBondContact O-N 3.41Å; L171-V174 PolarHBondContact O-N 3.26Å; V174-F177 PolarHBondContact O-N 2.85Å; V174-C178 PolarHBondContact O-N 3.49Å; V174-C178 PolarHBondContact O-SG 2.84Å |
| 175 | L | 96.4 | Very high | 94.5 | Very high | 92 Ų | 92 | 36.7 Ų | 36.7 | 48% | 0.482 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.2 | -44.9 | 176.3 | -69.5 | 171.6 | 0 | 0 | 0 | 111.6 | I54 L171 L172 F177 C178 I179 | I54-L175 HydrophobicContact CD1-CB 3.91Å; L171-L175 WeakPolarHBondContact O-CG 3.46Å; L171-L175 PolarHBondContact O-N 3.02Å; L172-L175 PolarHBondContact O-N 3.34Å; L175-F177 PolarHBondContact O-N 3.44Å; L175-C178 PolarHBondContact O-N 2.88Å; L175-I179 VanDerWaalsContact O-CG1 3.3Å; L175-I179 WeakPolarHBondContact O-CG1 3.09Å; L175-I179 PolarHBondContact O-N 3.47Å |
| 176 | E | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.8 | -47.5 | 175.2 | 179.2 | 57 | -150.9 | 0 | 0 | 111.3 | Q51 I54 F92 S121 A125 L172 S173 C178 I179 A180 | Q51-E176 WeakPolarHBondContact CG-OE2 3.36Å; Q51-E176 PolarHBondContact NE2-OE1 2.93Å; I54-E176 HydrophobicContact CG2-CB 4.1Å; F92-E176 HydrophobicContact CD1-CG 3.76Å; F92-E176 HydrophobicContact CD2-CG 3.86Å; F92-E176 HydrophobicContact CE1-CG 3.76Å; F92-E176 HydrophobicContact CE2-CB 4.32Å; F92-E176 HydrophobicContact CE2-CG 3.88Å; F92-E176 HydrophobicContact CG-CG 3.8Å; F92-E176 HydrophobicContact CZ-CG 3.83Å; S121-E176 PolarHBondContact OG-OE1 2.95Å; A125-E176 HydrophobicContact CB-CB 4.38Å; A125-E176 HydrophobicContact CB-CG 4.2Å; L172-E176 PolarHBondContact O-N 3.06Å; S173-E176 PolarHBondContact O-N 2.81Å; E176-C178 VanDerWaalsContact C-N 3.32Å; E176-C178 PolarHBondContact O-N 3.45Å; E176-I179 PolarHBondContact O-N 2.89Å; E176-A180 WeakPolarHBondContact O-CB 3.39Å; E176-A180 PolarHBondContact O-N 2.82Å |
| 177 | F | 97.8 | Very high | 94.2 | Very high | 68 Ų | 68 | 39.3 Ų | 39.3 | 30% | 0.298 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -55.7 | -47.4 | 176.4 | 175 | -107.8 | 0 | 0 | 0 | 111.7 | A125 I126 I129 S173 V174 L175 I179 A180 V181 | A125-F177 HydrophobicContact CB-CB 3.89Å; I126-F177 HydrophobicContact CD1-CD2 4.06Å; I126-F177 HydrophobicContact CD1-CE2 3.56Å; I126-F177 HydrophobicContact CD1-CZ 4.26Å; I126-F177 HydrophobicContact CG1-CD2 3.79Å; I126-F177 HydrophobicContact CG1-CE2 3.79Å; I129-F177 HydrophobicContact CD1-CB 4.45Å; S173-F177 WeakPolarHBondContact O-CB 3.27Å; S173-F177 PolarHBondContact O-N 3.47Å; V174-F177 PolarHBondContact O-N 2.85Å; L175-F177 PolarHBondContact O-N 3.44Å; F177-I179 PolarHBondContact O-N 3.5Å; F177-A180 PolarHBondContact O-N 2.99Å; F177-V181 HydrophobicContact CD2-CG2 4.11Å; F177-V181 HydrophobicContact CE1-CG2 4.26Å; F177-V181 HydrophobicContact CE2-CG2 3.65Å; F177-V181 HydrophobicContact CZ-CG2 3.75Å; F177-V181 WeakPolarHBondContact O-CB 3.35Å; F177-V181 VanDerWaalsContact O-CG2 3.29Å; F177-V181 WeakPolarHBondContact O-CG2 3.25Å; F177-V181 PolarHBondContact O-N 2.04Å |
| 178 | C | 95.6 | Very high | 94.1 | Very high | 63 Ų | 63 | 41 Ų | 41 | 43% | 0.426 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62 | -43.1 | 179.3 | -64.6 | 0 | 0 | 0 | 0 | 112.3 | V174 L175 E176 S182 | V174-C178 PolarHBondContact O-N 3.49Å; V174-C178 PolarHBondContact O-SG 2.84Å; L175-C178 PolarHBondContact O-N 2.88Å; E176-C178 VanDerWaalsContact C-N 3.32Å; E176-C178 PolarHBondContact O-N 3.45Å; C178-S182 WeakPolarHBondContact O-CB 3.27Å; C178-S182 PolarHBondContact O-N 2.93Å; C178-S182 PolarHBondContact O-OG 3.45Å |
| 179 | I | 94.7 | Very high | 93.6 | Very high | 20 Ų | 20 | 43.3 Ų | 43.3 | 10% | 0.103 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68 | -46.5 | -179.8 | -68 | 164.5 | 0 | 0 | 0 | 110.5 | L47 V50 Q51 I54 L175 E176 F177 V181 S182 L183 | L47-I179 HydrophobicContact CB-CG2 4.03Å; L47-I179 HydrophobicContact CD2-CG1 4.14Å; L47-I179 HydrophobicContact CD2-CG2 4.01Å; V50-I179 HydrophobicContact CB-CD1 4.24Å; V50-I179 HydrophobicContact CG1-CD1 3.55Å; Q51-I179 HydrophobicContact CG-CB 4.34Å; Q51-I179 HydrophobicContact CG-CG2 3.48Å; Q51-I179 VanDerWaalsContact CG-CG2 3.48Å; I54-I179 HydrophobicContact CD1-CD1 3.47Å; I54-I179 VanDerWaalsContact CD1-CD1 3.47Å; L175-I179 VanDerWaalsContact O-CG1 3.3Å; L175-I179 WeakPolarHBondContact O-CG1 3.09Å; L175-I179 PolarHBondContact O-N 3.47Å; E176-I179 PolarHBondContact O-N 2.89Å; F177-I179 PolarHBondContact O-N 3.5Å; I179-V181 PolarHBondContact O-N 2.99Å; I179-S182 WeakPolarHBondContact O-CB 3.4Å; I179-S182 PolarHBondContact O-N 3.32Å; I179-S182 VanDerWaalsContact O-N 3.15Å; I179-L183 HydrophobicContact CG2-CD1 3.74Å; I179-L183 HydrophobicContact CG2-CG 4.33Å; I179-L183 WeakPolarHBondContact O-CB 3.29Å; I179-L183 WeakPolarHBondContact O-CG 3.06Å; I179-L183 PolarHBondContact O-N 3.28Å |
| 180 | A | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | N118 S122 E176 F177 S184 | N118-A180 HydrophobicContact CB-CB 4.42Å; N118-A180 WeakPolarHBondContact O-CB 3.49Å; S122-A180 WeakPolarHBondContact OG-CB 3.12Å; E176-A180 WeakPolarHBondContact O-CB 3.39Å; E176-A180 PolarHBondContact O-N 2.82Å; F177-A180 PolarHBondContact O-N 2.99Å; A180-S184 WeakPolarHBondContact O-CB 3.38Å; A180-S184 PolarHBondContact O-N 3.37Å; A180-S184 PolarHBondContact O-OG 3.37Å |
| 181 | V | 95 | Very high | 92.6 | Very high | 67 Ų | 67 | 48.2 Ų | 48.2 | 41% | 0.406 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 173 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | F177 I179 S184 A185 | F177-V181 HydrophobicContact CD2-CG2 4.11Å; F177-V181 HydrophobicContact CE1-CG2 4.26Å; F177-V181 HydrophobicContact CE2-CG2 3.65Å; F177-V181 HydrophobicContact CZ-CG2 3.75Å; F177-V181 WeakPolarHBondContact O-CB 3.35Å; F177-V181 VanDerWaalsContact O-CG2 3.29Å; F177-V181 WeakPolarHBondContact O-CG2 3.25Å; F177-V181 PolarHBondContact O-N 2.04Å; I179-V181 PolarHBondContact O-N 2.99Å; V181-S184 WeakPolarHBondContact O-CB 3.39Å; V181-S184 PolarHBondContact O-N 3Å; V181-A185 PolarHBondContact O-N 2.95Å |
| 182 | S | 92.6 | Very high | 91.7 | Very high | 28 Ų | 28 | 47.8 Ų | 47.8 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.9 | -53.8 | 177.9 | -59.4 | 0 | 0 | 0 | 0 | 110.5 | C178 I179 S184 A185 F186 | C178-S182 WeakPolarHBondContact O-CB 3.27Å; C178-S182 PolarHBondContact O-N 2.93Å; C178-S182 PolarHBondContact O-OG 3.45Å; I179-S182 WeakPolarHBondContact O-CB 3.4Å; I179-S182 PolarHBondContact O-N 3.32Å; I179-S182 VanDerWaalsContact O-N 3.15Å; S182-S184 PolarHBondContact O-N 3.01Å; S182-A185 WeakPolarHBondContact O-CB 3.47Å; S182-A185 PolarHBondContact O-N 3.42Å; S182-F186 WeakPolarHBondContact O-CD2 3.2Å; S182-F186 PolarHBondContact O-N 3.34Å; S182-F186 VanDerWaalsContact O-N 3.07Å |
| 183 | L | 92.3 | Very high | 90.5 | Very high | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.5 | -35.8 | 177.8 | -75.4 | 168.9 | 0 | 0 | 0 | 112.6 | P44 L47 Q51 N118 I179 F186 G187 | P44-L183 HydrophobicContact CB-CD2 3.63Å; L47-L183 HydrophobicContact CB-CD1 4.05Å; L47-L183 HydrophobicContact CB-CD2 3.85Å; L47-L183 HydrophobicContact CB-CG 4.04Å; L47-L183 HydrophobicContact CD1-CD2 3.98Å; L47-L183 HydrophobicContact CD1-CG 4.13Å; Q51-L183 HydrophobicContact CG-CD1 4.37Å; N118-L183 HydrophobicContact CB-CB 4.34Å; N118-L183 WeakPolarHBondContact OD1-CD1 3.3Å; I179-L183 HydrophobicContact CG2-CD1 3.74Å; I179-L183 HydrophobicContact CG2-CG 4.33Å; I179-L183 WeakPolarHBondContact O-CB 3.29Å; I179-L183 WeakPolarHBondContact O-CG 3.06Å; I179-L183 PolarHBondContact O-N 3.28Å; L183-F186 PolarHBondContact O-N 3Å; L183-G187 PolarHBondContact O-N 3.38Å |
| 184 | S | 94.1 | Very high | 88.9 | Confident | 14 Ų | 14 | 54.5 Ų | 54.5 | 10% | 0.098 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 174 | -59.3 | 0 | 0 | 0 | 0 | 112 | L115 N118 I119 A180 V181 S182 F186 G187 C188 | L115-S184 VanDerWaalsContact CD1-CA 3.48Å; L115-S184 WeakPolarHBondContact CD1-O 3.32Å; N118-S184 WeakPolarHBondContact CB-OG 3.37Å; I119-S184 PolarHBondContact N-OG 3.29Å; A180-S184 WeakPolarHBondContact O-CB 3.38Å; A180-S184 PolarHBondContact O-N 3.37Å; A180-S184 PolarHBondContact O-OG 3.37Å; V181-S184 WeakPolarHBondContact O-CB 3.39Å; V181-S184 PolarHBondContact O-N 3Å; S182-S184 PolarHBondContact O-N 3.01Å; S184-F186 VanDerWaalsContact C-N 3.31Å; S184-F186 PolarHBondContact O-N 3.3Å; S184-G187 PolarHBondContact O-N 3.06Å; S184-C188 WeakPolarHBondContact O-CB 3.23Å; S184-C188 PolarHBondContact O-N 3.36Å |
| 185 | A | 89.6 | Confident | 86.8 | Confident | 60 Ų | 60 | 57.9 Ų | 57.9 | 50% | 0.496 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.1 | -37.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V181 S182 K189 | V181-A185 PolarHBondContact O-N 2.95Å; S182-A185 WeakPolarHBondContact O-CB 3.47Å; S182-A185 PolarHBondContact O-N 3.42Å; A185-K189 WeakPolarHBondContact O-CB 3.49Å; A185-K189 PolarHBondContact O-N 3.29Å |
| 186 | F | 86.4 | Confident | 84.7 | Confident | 68 Ų | 68 | 55.9 Ų | 55.9 | 30% | 0.298 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.1 | -52.1 | 173.1 | -80.5 | -79.9 | 0 | 0 | 0 | 112.4 | L40 S182 L183 S184 C188 K189 V190 | L40-F186 HydrophobicContact CB-CE1 3.94Å; L40-F186 HydrophobicContact CB-CE2 3.91Å; L40-F186 HydrophobicContact CB-CZ 3.35Å; L40-F186 HydrophobicContact CD1-CE2 3.4Å; L40-F186 VanDerWaalsContact CD1-CE2 3.4Å; L40-F186 HydrophobicContact CD1-CZ 3.42Å; L40-F186 VanDerWaalsContact CD1-CZ 3.42Å; L40-F186 HydrophobicContact CD2-CD2 3.61Å; L40-F186 HydrophobicContact CD2-CE1 4.34Å; L40-F186 HydrophobicContact CD2-CE2 3.02Å; L40-F186 HydrophobicContact CD2-CZ 3.47Å; L40-F186 VanDerWaalsContact CD2-CZ 3.47Å; L40-F186 HydrophobicContact CG-CE1 4.47Å; L40-F186 HydrophobicContact CG-CE2 3.51Å; L40-F186 HydrophobicContact CG-CZ 3.49Å; L40-F186 VanDerWaalsContact CG-CZ 3.49Å; S182-F186 WeakPolarHBondContact O-CD2 3.2Å; S182-F186 PolarHBondContact O-N 3.34Å; S182-F186 VanDerWaalsContact O-N 3.07Å; L183-F186 PolarHBondContact O-N 3Å; S184-F186 VanDerWaalsContact C-N 3.31Å; S184-F186 PolarHBondContact O-N 3.3Å; F186-C188 VanDerWaalsContact C-N 3.28Å; F186-C188 PolarHBondContact O-N 2.96Å; F186-K189 PolarHBondContact O-N 3.4Å; F186-K189 VanDerWaalsContact O-N 3.17Å; F186-V190 WeakPolarHBondContact O-CG2 3.33Å; F186-V190 PolarHBondContact O-N 2.93Å |
| 187 | G | 87.9 | Confident | 82.1 | Confident | 7 Ų | 7 | 63.9 Ų | 63.9 | 7% | 0.072 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -57.9 | -42.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | L183 S184 V190 L191 | L183-G187 PolarHBondContact O-N 3.38Å; S184-G187 PolarHBondContact O-N 3.06Å; G187-V190 PolarHBondContact O-N 3.43Å; G187-L191 VanDerWaalsContact O-CB 3.32Å; G187-L191 WeakPolarHBondContact O-CB 3.27Å; G187-L191 PolarHBondContact O-N 3.13Å |
| 188 | C | 88.9 | Confident | 79.6 | Confident | 55 Ų | 55 | 66 Ų | 66 | 37% | 0.372 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 176.5 | -171.1 | 0 | 0 | 0 | 0 | 111.8 | L115 S184 F186 V190 L191 C192 | L115-C188 HydrophobicContact CD1-CB 4.42Å; S184-C188 WeakPolarHBondContact O-CB 3.23Å; S184-C188 PolarHBondContact O-N 3.36Å; F186-C188 VanDerWaalsContact C-N 3.28Å; F186-C188 PolarHBondContact O-N 2.96Å; C188-V190 VanDerWaalsContact C-N 3.32Å; C188-V190 PolarHBondContact O-N 3.06Å; C188-L191 PolarHBondContact O-N 3.44Å; C188-C192 WeakPolarHBondContact O-CB 3.44Å; C188-C192 PolarHBondContact O-N 2.96Å; C188-C192 PolarHBondContact O-SG 3.35Å |
| 189 | K | 84.6 | Confident | 77.2 | Confident | 146 Ų | 146 | 68.4 Ų | 68.4 | 64% | 0.635 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -60.5 | -41.7 | 176.4 | -174.3 | 174.3 | -178.9 | 173.5 | 0 | 112.1 | A185 F186 C193 | A185-K189 WeakPolarHBondContact O-CB 3.49Å; A185-K189 PolarHBondContact O-N 3.29Å; F186-K189 PolarHBondContact O-N 3.4Å; F186-K189 VanDerWaalsContact O-N 3.17Å; K189-C193 VanDerWaalsContact O-CB 3.27Å; K189-C193 WeakPolarHBondContact O-CB 3.2Å; K189-C193 PolarHBondContact O-N 2.88Å |
| 190 | V | 83.3 | Confident | 74.7 | Confident | 67 Ų | 67 | 73.8 Ų | 73.8 | 41% | 0.406 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -70.4 | -37.3 | 179 | 174.7 | 0 | 0 | 0 | 0 | 111.8 | V111 F186 G187 C188 S194 | V111-V190 HydrophobicContact CG1-CB 4.06Å; V111-V190 HydrophobicContact CG1-CG1 3.99Å; F186-V190 WeakPolarHBondContact O-CG2 3.33Å; F186-V190 PolarHBondContact O-N 2.93Å; G187-V190 PolarHBondContact O-N 3.43Å; C188-V190 VanDerWaalsContact C-N 3.32Å; C188-V190 PolarHBondContact O-N 3.06Å; V190-S194 WeakPolarHBondContact O-CB 3.22Å; V190-S194 PolarHBondContact O-OG 3.09Å |
| 191 | L | 85 | Confident | 72.3 | Confident | 73 Ų | 73 | 80.4 Ų | 80.4 | 38% | 0.382 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -87.5 | -38.5 | -174.3 | -153.6 | 71.4 | 0 | 0 | 0 | 113.3 | K108 L115 G187 C188 | K108-L191 HydrophobicContact CB-CD1 4.34Å; K108-L191 HydrophobicContact CG-CD1 4.4Å; L115-L191 HydrophobicContact CD2-CD2 4.41Å; G187-L191 VanDerWaalsContact O-CB 3.32Å; G187-L191 WeakPolarHBondContact O-CB 3.27Å; G187-L191 PolarHBondContact O-N 3.13Å; C188-L191 PolarHBondContact O-N 3.44Å |
| 192 | C | 77.9 | Confident | 69.8 | Low | 91 Ų | 91 | 83.1 Ų | 83.1 | 62% | 0.615 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -92 | -27 | -173.6 | -60.1 | 0 | 0 | 0 | 0 | 113.5 | C188 | C188-C192 WeakPolarHBondContact O-CB 3.44Å; C188-C192 PolarHBondContact O-N 2.96Å; C188-C192 PolarHBondContact O-SG 3.35Å |
| 193 | C | 71.3 | Confident | 67.4 | Low | 93 Ų | 93 | 86.5 Ų | 86.5 | 63% | 0.628 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -103.9 | 1.5 | -176.5 | -53.7 | 0 | 0 | 0 | 0 | 113.9 | K189 P195 | K189-C193 VanDerWaalsContact O-CB 3.27Å; K189-C193 WeakPolarHBondContact O-CB 3.2Å; K189-C193 PolarHBondContact O-N 2.88Å; C193-P195 WeakPolarHBondContact O-CD 3.3Å |
| 194 | S | 62.3 | Low | 64.8 | Low | 70 Ų | 70 | 91.5 Ų | 91.5 | 49% | 0.49 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -114.3 | 85.2 | 174.3 | -58.7 | 0 | 0 | 0 | 0 | 110.1 | V190 G196 | V190-S194 WeakPolarHBondContact O-CB 3.22Å; V190-S194 PolarHBondContact O-OG 3.09Å; S194-G196 PolarHBondContact O-N 3.44Å |
| 195 | P | 52.8 | Low | 62.4 | Low | 129 Ų | 129 | 98 Ų | 98 | 84% | 0.838 | 58% | 0.579 | S | S | * | * | trans | -66.9 | 102.3 | 175.4 | 27.6 | -30.9 | 0 | 0 | 0 | 108.9 | C193 | C193-P195 WeakPolarHBondContact O-CD 3.3Š| ||
| 196 | G | 53.3 | Low | 60.1 | Low | 49 Ų | 49 | 100.9 Ų | 100.9 | 51% | 0.505 | 60% | 0.595 | S | S | . | * | trans | 72.5 | 73.6 | 156.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | S194 V198 | S194-G196 PolarHBondContact O-N 3.44Å; G196-V198 PolarHBondContact O-N 3.35Å; G196-V198 VanDerWaalsContact O-N 3.09Å | ||
| 197 | E | 41.9 | Very low | 58.2 | Low | 169 Ų | 169 | 105.4 Ų | 105.4 | 79% | 0.79 | 62% | 0.617 | S | S | * | * | trans | -71.2 | 96 | 134 | -153.6 | 175.7 | -176.7 | 0 | 0 | 105.9 | K108 V199 | K108-E197 PolarHBondContact NZ-O 3.28Å; E197-V199 PolarHBondContact O-N 2.91Å | ||
| 198 | V | 45.5 | Very low | 55.9 | Low | 113 Ų | 113 | 113.7 Ų | 113.7 | 69% | 0.685 | 66% | 0.656 | S | S | * | * | trans | -48.4 | 124.5 | 173.7 | -173.1 | 0 | 0 | 0 | 0 | 105.7 | G196 L200 | G196-V198 PolarHBondContact O-N 3.35Å; G196-V198 VanDerWaalsContact O-N 3.09Å; V198-L200 PolarHBondContact O-N 3.41Å | ||
| 199 | V | 46.5 | Very low | 53.6 | Low | 112 Ų | 112 | 115.1 Ų | 115.1 | 68% | 0.679 | 67% | 0.672 | S | S | * | * | trans | -63.1 | 90.1 | 162 | 179.5 | 0 | 0 | 0 | 0 | 104.2 | E197 I201 | E197-V199 PolarHBondContact O-N 2.91Å; V199-I201 HydrophobicContact CG1-CD1 4.36Å; V199-I201 HydrophobicContact CG1-CG1 3.59Å; V199-I201 PolarHBondContact O-N 3.48Å | ||
| 200 | L | 40.9 | Very low | 51.7 | Low | 133 Ų | 133 | 117.5 Ų | 117.5 | 70% | 0.696 | 69% | 0.685 | S | S | * | * | trans | -72.2 | 80.1 | 169.2 | -145.5 | 149 | 0 | 0 | 0 | 103.6 | V198 I202 | V198-L200 PolarHBondContact O-N 3.41Å; L200-I202 HydrophobicContact CD2-CB 4.31Å; L200-I202 HydrophobicContact CD2-CD1 4.16Å; L200-I202 HydrophobicContact CD2-CG1 3.22Å; L200-I202 PolarHBondContact O-N 3.06Å | ||
| 201 | I | 46.7 | Very low | 49.7 | Very low | 139 Ų | 139 | 118.9 Ų | 118.9 | 71% | 0.713 | 70% | 0.704 | S | S | * | * | trans | -61.9 | 88.9 | 155.9 | -52.9 | -177.2 | 0 | 0 | 0 | 102.9 | V199 P203 | V199-I201 HydrophobicContact CG1-CD1 4.36Å; V199-I201 HydrophobicContact CG1-CG1 3.59Å; V199-I201 PolarHBondContact O-N 3.48Å; I201-P203 WeakPolarHBondContact O-CD 3.18Å | ||
| 202 | I | 41.5 | Very low | 47.7 | Very low | 125 Ų | 125 | 119.5 Ų | 119.5 | 64% | 0.641 | 72% | 0.719 | S | S | * | * | trans | -56 | 113.2 | 162.4 | -67 | 172.9 | 0 | 0 | 0 | 103.4 | L200 S204 | L200-I202 HydrophobicContact CD2-CB 4.31Å; L200-I202 HydrophobicContact CD2-CD1 4.16Å; L200-I202 HydrophobicContact CD2-CG1 3.22Å; L200-I202 PolarHBondContact O-N 3.06Å; I202-S204 PolarHBondContact O-N 3.31Å | ||
| 203 | P | 41.8 | Very low | 46.1 | Very low | 99 Ų | 99 | 120.7 Ų | 120.7 | 64% | 0.643 | 73% | 0.726 | S | S | * | * | trans | -60.9 | 117.3 | 165.4 | -4.9 | 21 | 0 | 0 | 0 | 103.9 | I201 N205 | I201-P203 WeakPolarHBondContact O-CD 3.18Å; P203-N205 VanDerWaalsContact C-N 3.28Å; P203-N205 PolarHBondContact O-N 2.82Å | ||
| 204 | S | 39.4 | Very low | 44.9 | Very low | 110 Ų | 110 | 122.2 Ų | 122.2 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | trans | -60.9 | 103.6 | 166.3 | -163.5 | 0 | 0 | 0 | 0 | 105.2 | I202 S206 | I202-S204 PolarHBondContact O-N 3.31Å; S204-S206 VanDerWaalsContact C-N 3.26Å; S204-S206 PolarHBondContact O-N 3.33Å | ||
| 205 | N | 42.2 | Very low | 44.2 | Very low | 151 Ų | 151 | 125.3 Ų | 125.3 | 81% | 0.807 | 75% | 0.75 | S | S | * | * | trans | -60.2 | 94.3 | 171.9 | -90.4 | -13.9 | 0 | 0 | 0 | 107.4 | P203 H207 | P203-N205 VanDerWaalsContact C-N 3.28Å; P203-N205 PolarHBondContact O-N 2.82Å; N205-H207 PolarHBondContact O-N 3.1Å; N205-H207 VanDerWaalsContact O-N 3.12Å | ||
| 206 | S | 42.2 | Very low | 43.9 | Very low | 119 Ų | 119 | 124.5 Ų | 124.5 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | trans | -80.3 | 78.5 | 162.1 | 60.2 | 0 | 0 | 0 | 0 | 107.9 | S204 | S204-S206 VanDerWaalsContact C-N 3.26Å; S204-S206 PolarHBondContact O-N 3.33Å | ||
| 207 | H | 47.3 | Very low | 43.1 | Very low | 163 Ų | 163 | 129.2 Ų | 129.2 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | trans | -119.3 | 97 | 159.7 | -154.6 | -82.8 | 0 | 0 | 0 | 108.4 | N205 | N205-H207 PolarHBondContact O-N 3.1Å; N205-H207 VanDerWaalsContact O-N 3.12Å | ||
| 208 | M | 39.5 | Very low | 42.8 | Very low | 182 Ų | 182 | 129.6 Ų | 129.6 | 90% | 0.897 | 76% | 0.757 | S | S | * | * | trans | -159.4 | 72.3 | 148.7 | -92 | -85.2 | 158.2 | 0 | 0 | 104.7 | E210 | M208-E210 PolarHBondContact O-N 3.13Š| ||
| 209 | A | 39.8 | Very low | 42.4 | Very low | 85 Ų | 85 | 130.2 Ų | 130.2 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | trans | -67.3 | 116.7 | 158 | 0 | 0 | 0 | 0 | 0 | 106.5 | A211 | A209-A211 PolarHBondContact O-N 3.03Š| ||
| 210 | E | 43.7 | Very low | 41.9 | Very low | 195 Ų | 195 | 135.2 Ų | 135.2 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | trans | -47.4 | 115.9 | 171.9 | -167.6 | 153.2 | 137.6 | 0 | 0 | 111.1 | M208 | M208-E210 PolarHBondContact O-N 3.13Š| ||
| 211 | A | 42.2 | Very low | 42 | Very low | 97 Ų | 97 | 135.4 Ų | 135.4 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | -118.4 | 113.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 107 | A209 | A209-A211 PolarHBondContact O-N 3.03Š| ||
| 212 | A | 43.4 | Very low | 41.7 | Very low | 85 Ų | 85 | 135.2 Ų | 135.2 | 70% | 0.702 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 153.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 213 | P | 43.1 | Very low | 41.7 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 138.9 | 173.4 | 31.4 | -31.2 | 0 | 0 | 0 | 110.6 | ||
| 214 | P | 46.8 | Very low | 41.7 | Very low | 125 Ų | 125 | 137.9 Ų | 137.9 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 127.7 | 164.9 | 28 | -28.6 | 0 | 0 | 0 | 110.3 | ||
| 215 | T | 47.9 | Very low | 41.9 | Very low | 135 Ų | 135 | 139.6 Ų | 139.6 | 83% | 0.828 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 139.2 | 175.4 | -28.3 | 0 | 0 | 0 | 0 | 112.3 | ||
| 216 | P | 46.2 | Very low | 41.8 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 120.6 | 169.4 | 33.2 | -25.4 | 0 | 0 | 0 | 111.8 | ||
| 217 | L | 35.6 | Very low | 41.8 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 78% | 0.78 | 82% | 0.823 | S | S | * | * | trans | -172.7 | 132.3 | 165.4 | -138.2 | 73.1 | 0 | 0 | 0 | 107.9 | ||||
| 218 | K | 35.7 | Very low | 41.4 | Very low | 177 Ų | 177 | 138.5 Ų | 138.5 | 77% | 0.77 | 83% | 0.829 | S | S | * | * | cis | -164.1 | 157.8 | 2 | -122.8 | 171.9 | -167.3 | 178.6 | 0 | 107 | ||||
| 219 | T | 37.2 | Very low | 41.6 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | trans | -44.1 | 141.4 | 167.4 | 39.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 220 | V | 37.1 | Very low | 41.7 | Very low | 217 Ų | 217 | 139.5 Ų | 139.5 | 100% | 1.315 | 83% | 0.834 | S | S | * | * | -146.5 | 0 | 107.9 | 177 | 0 | 0 | 0 | 0 | 108 |
Retrieved 220 of 220 residues in 253.1 ms
(Link to these results)