| 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 | 52.8 | Low | 43.9 | Very low | 210 Ų | 210 | 148 Ų | 148 | 100% | 1.034 | 77% | 0.773 | S | S | * | * | 0 | 41.8 | 0 | -81.6 | 174.1 | -88.2 | 0 | 0 | 109.7 | |||||
| 2 | D | 42.3 | Very low | 43.3 | Very low | 139 Ų | 139 | 149.3 Ų | 149.3 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | -110.2 | -10.4 | -162 | -62.6 | -88.7 | 0 | 0 | 0 | 113.2 | ||||
| 3 | K | 46.9 | Very low | 42.4 | Very low | 191 Ų | 191 | 141.3 Ų | 141.3 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -23.6 | 173.8 | -66.1 | -77.3 | -177.4 | 172.6 | 0 | 112.5 | ||
| 4 | L | 49.4 | Very low | 41.8 | Very low | 131 Ų | 131 | 140.4 Ų | 140.4 | 69% | 0.686 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -25.4 | 178 | -129.6 | 82.5 | 0 | 0 | 0 | 112.8 | V7 | L4-V7 VanDerWaalsContact O-CG2 3.23Å; L4-V7 WeakPolarHBondContact O-CG2 3.33Å |
| 5 | K | 44.3 | Very low | 41.4 | Very low | 157 Ų | 157 | 140.1 Ų | 140.1 | 68% | 0.683 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -23.6 | -179.9 | -148.1 | 168.3 | -172.5 | -79.4 | 0 | 112.9 | V7 S9 | K5-V7 VanDerWaalsContact C-N 3.34Å; K5-S9 PolarHBondContact O-N 3.02Å; K5-S9 PolarHBondContact O-OG 3.37Å |
| 6 | K | 45.1 | Very low | 41.3 | Very low | 184 Ų | 184 | 139.5 Ų | 139.5 | 80% | 0.8 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -16.3 | 178.3 | -166.5 | 169.5 | -178 | 176.6 | 0 | 114 | ||
| 7 | V | 49.7 | Very low | 41.2 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -8.7 | 176.3 | -65 | 0 | 0 | 0 | 0 | 113.3 | L4 K5 | L4-V7 VanDerWaalsContact O-CG2 3.23Å; L4-V7 WeakPolarHBondContact O-CG2 3.33Å; K5-V7 VanDerWaalsContact C-N 3.34Å |
| 8 | L | 44.2 | Very low | 41 | Very low | 140 Ų | 140 | 131.7 Ų | 131.7 | 73% | 0.733 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.4 | -12.4 | -172.7 | -88.4 | 159.8 | 0 | 0 | 0 | 114.5 | ||
| 9 | S | 42 | Very low | 41 | Very low | 85 Ų | 85 | 130.8 Ų | 130.8 | 59% | 0.594 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -104.8 | 83.2 | 177.7 | 60 | 0 | 0 | 0 | 0 | 111.4 | K5 | K5-S9 PolarHBondContact O-N 3.02Å; K5-S9 PolarHBondContact O-OG 3.37Å |
| 10 | G | 37.7 | Very low | 41.2 | Very low | 72 Ų | 72 | 129.9 Ų | 129.9 | 74% | 0.742 | 70% | 0.703 | S | S | * | * | trans | 32.1 | 113.9 | 148.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 11 | Q | 28.6 | Very low | 41.2 | Very low | 198 Ų | 198 | 129.3 Ų | 129.3 | 93% | 0.925 | 70% | 0.699 | S | S | * | * | -126 | 87.6 | 128.9 | -163.4 | 143.8 | 8.9 | 0 | 0 | 107.9 | |||||
| 12 | D | 37 | Very low | 40.8 | Very low | 164 Ų | 164 | 125.1 Ų | 125.1 | 88% | 0.877 | 68% | 0.677 | S | S | * | * | trans | -58.9 | 144.3 | 157.8 | -147.8 | -52.9 | 0 | 0 | 0 | 108.6 | ||||
| 13 | G | 31.2 | Very low | 41.1 | Very low | 45 Ų | 45 | 121.5 Ų | 121.5 | 46% | 0.464 | 67% | 0.666 | S | S | . | * | S | Bend | trans | 116.2 | 89.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 117 | N15 | G13-N15 PolarHBondContact O-N 3.11Š|
| 14 | N | 34.2 | Very low | 41 | Very low | 128 Ų | 128 | 114.5 Ų | 114.5 | 68% | 0.684 | 64% | 0.644 | S | S | * | * | 76.1 | 18.8 | 117.4 | -162.5 | 67.6 | 0 | 0 | 0 | 119.8 | |||||
| 15 | N | 35.9 | Very low | 40.8 | Very low | 136 Ų | 136 | 113.7 Ų | 113.7 | 73% | 0.727 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -105.6 | -21 | 178.6 | -75.9 | -18.6 | 0 | 0 | 0 | 116 | G13 | G13-N15 PolarHBondContact O-N 3.11Š|
| 16 | D | 40.4 | Very low | 40.8 | Very low | 131 Ų | 131 | 113.4 Ų | 113.4 | 70% | 0.701 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -80.6 | -30.5 | 175.1 | -63.1 | -57.1 | 0 | 0 | 0 | 112.2 | G18 I20 | D16-G18 PolarHBondContact O-N 2.74Å; D16-I20 WeakPolarHBondContact O-CB 3.31Å; D16-I20 WeakPolarHBondContact O-CD1 3.32Å; D16-I20 WeakPolarHBondContact O-CG1 3.32Å; D16-I20 PolarHBondContact O-N 3.05Å |
| 17 | D | 39.3 | Very low | 40.7 | Very low | 102 Ų | 102 | 107.7 Ų | 107.7 | 55% | 0.545 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -63.2 | -34.9 | 172.3 | -68.1 | -52.6 | 0 | 0 | 0 | 110.6 | L21 | D17-L21 HydrophobicContact CB-CD1 4.36Å; D17-L21 WeakPolarHBondContact O-CA 3.49Å; D17-L21 WeakPolarHBondContact O-CB 3.28Å; D17-L21 VanDerWaalsContact O-CD1 3.26Å; D17-L21 WeakPolarHBondContact O-CD1 3.41Å; D17-L21 WeakPolarHBondContact O-CG 3.48Å; D17-L21 PolarHBondContact O-N 3.37Å |
| 18 | G | 37 | Very low | 40.4 | Very low | 36 Ų | 36 | 104.5 Ų | 104.5 | 37% | 0.371 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -68 | -44.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D16 Q22 | D16-G18 PolarHBondContact O-N 2.74Å; G18-Q22 WeakPolarHBondContact O-CB 3.14Å; G18-Q22 PolarHBondContact O-N 3.48Å |
| 19 | D | 41.2 | Very low | 40.1 | Very low | 116 Ų | 116 | 103.6 Ų | 103.6 | 62% | 0.62 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -76.2 | -36.2 | -179 | -157.9 | 51.5 | 0 | 0 | 0 | 111.8 | Q22 A23 | D19-Q22 PolarHBondContact O-N 3.48Å; D19-A23 VanDerWaalsContact O-CB 3.23Å; D19-A23 WeakPolarHBondContact O-CB 3.37Å; D19-A23 PolarHBondContact O-N 3.03Å |
| 20 | I | 45.7 | Very low | 39.8 | Very low | 112 Ų | 112 | 105.6 Ų | 105.6 | 57% | 0.574 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -73.7 | -36.1 | 172.3 | -56.5 | 168.2 | 0 | 0 | 0 | 110.6 | D16 Q22 A24 | D16-I20 WeakPolarHBondContact O-CB 3.31Å; D16-I20 WeakPolarHBondContact O-CD1 3.32Å; D16-I20 WeakPolarHBondContact O-CG1 3.32Å; D16-I20 PolarHBondContact O-N 3.05Å; I20-Q22 VanDerWaalsContact C-N 3.33Å; I20-A24 WeakPolarHBondContact O-CA 3.31Å; I20-A24 WeakPolarHBondContact O-CB 3.43Å; I20-A24 PolarHBondContact O-N 3.02Å |
| 21 | L | 40.3 | Very low | 39.9 | Very low | 117 Ų | 117 | 102.9 Ų | 102.9 | 61% | 0.613 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.5 | -37.5 | 170.1 | -89.5 | 154.6 | 0 | 0 | 0 | 110.7 | D17 A24 N25 | D17-L21 HydrophobicContact CB-CD1 4.36Å; D17-L21 WeakPolarHBondContact O-CA 3.49Å; D17-L21 WeakPolarHBondContact O-CB 3.28Å; D17-L21 VanDerWaalsContact O-CD1 3.26Å; D17-L21 WeakPolarHBondContact O-CD1 3.41Å; D17-L21 WeakPolarHBondContact O-CG 3.48Å; D17-L21 PolarHBondContact O-N 3.37Å; L21-A24 CarbonylContact O-C 3.52Å; L21-N25 WeakPolarHBondContact O-CA 3.28Å; L21-N25 WeakPolarHBondContact O-CB 3.34Å; L21-N25 PolarHBondContact O-N 3Å |
| 22 | Q | 44.5 | Very low | 40.5 | Very low | 123 Ų | 123 | 101.4 Ų | 101.4 | 58% | 0.575 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -74.8 | -39.8 | -179.6 | -172.6 | 167.5 | -29.4 | 0 | 0 | 111.4 | G18 D19 I20 N25 Q26 | G18-Q22 WeakPolarHBondContact O-CB 3.14Å; G18-Q22 PolarHBondContact O-N 3.48Å; D19-Q22 PolarHBondContact O-N 3.48Å; I20-Q22 VanDerWaalsContact C-N 3.33Å; Q22-N25 PolarHBondContact O-N 3.34Å; Q22-Q26 WeakPolarHBondContact O-CG 3.27Å; Q22-Q26 PolarHBondContact O-N 2.92Å |
| 23 | A | 48.2 | Very low | 40.6 | Very low | 62 Ų | 62 | 95.6 Ų | 95.6 | 51% | 0.512 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.9 | -40.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D19 N25 A27 | D19-A23 VanDerWaalsContact O-CB 3.23Å; D19-A23 WeakPolarHBondContact O-CB 3.37Å; D19-A23 PolarHBondContact O-N 3.03Å; A23-N25 VanDerWaalsContact C-N 3.32Å; A23-A27 VanDerWaalsContact O-CB 3.25Å; A23-A27 WeakPolarHBondContact O-CB 3.37Å; A23-A27 PolarHBondContact O-N 3.43Å |
| 24 | A | 45.5 | Very low | 41.1 | Very low | 45 Ų | 45 | 97.5 Ų | 97.5 | 37% | 0.372 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -70.2 | -27.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I20 L21 A27 S28 | I20-A24 WeakPolarHBondContact O-CA 3.31Å; I20-A24 WeakPolarHBondContact O-CB 3.43Å; I20-A24 PolarHBondContact O-N 3.02Å; L21-A24 CarbonylContact O-C 3.52Å; A24-A27 CarbonylContact O-C 3.51Å; A24-S28 WeakPolarHBondContact O-CA 2.92Å; A24-S28 WeakPolarHBondContact O-CB 3.21Å; A24-S28 PolarHBondContact O-N 3.31Å; A24-S28 PolarHBondContact O-OG 3.31Å |
| 25 | N | 45.4 | Very low | 41.8 | Very low | 114 Ų | 114 | 98.9 Ų | 98.9 | 61% | 0.61 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -80.3 | -39.1 | 178.1 | -165.5 | 24.5 | 0 | 0 | 0 | 110.9 | L21 Q22 A23 A27 S28 T29 | L21-N25 WeakPolarHBondContact O-CA 3.28Å; L21-N25 WeakPolarHBondContact O-CB 3.34Å; L21-N25 PolarHBondContact O-N 3Å; Q22-N25 PolarHBondContact O-N 3.34Å; A23-N25 VanDerWaalsContact C-N 3.32Å; N25-A27 VanDerWaalsContact C-N 3.35Å; N25-S28 CarbonylContact O-C 3.44Å; N25-S28 WeakPolarHBondContact O-CA 3.23Å; N25-S28 PolarHBondContact O-N 3.45Å; N25-T29 PolarHBondContact O-N 3.41Å |
| 26 | Q | 43.8 | Very low | 42.3 | Very low | 150 Ų | 150 | 94.8 Ų | 94.8 | 70% | 0.701 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.2 | -34.7 | 168.5 | -70.5 | -155 | -81.3 | 0 | 0 | 111.9 | Q22 S28 T29 | Q22-Q26 WeakPolarHBondContact O-CG 3.27Å; Q22-Q26 PolarHBondContact O-N 2.92Å; Q26-S28 VanDerWaalsContact C-N 3.33Å; Q26-T29 WeakPolarHBondContact O-CG2 3.34Å |
| 27 | A | 43.1 | Very low | 42.5 | Very low | 65 Ų | 65 | 96 Ų | 96 | 54% | 0.537 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -71.9 | -23.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113 | A23 A24 N25 L30 G31 | A23-A27 VanDerWaalsContact O-CB 3.25Å; A23-A27 WeakPolarHBondContact O-CB 3.37Å; A23-A27 PolarHBondContact O-N 3.43Å; A24-A27 CarbonylContact O-C 3.51Å; N25-A27 VanDerWaalsContact C-N 3.35Å; A27-L30 WeakPolarHBondContact O-CB 3.31Å; A27-L30 PolarHBondContact O-N 3.04Å; A27-G31 PolarHBondContact O-N 3.25Å |
| 28 | S | 44.1 | Very low | 43.1 | Very low | 53 Ų | 53 | 93 Ų | 93 | 37% | 0.371 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -86.3 | -12.7 | 178.9 | -69.9 | 0 | 0 | 0 | 0 | 114.3 | A24 N25 Q26 L30 G31 W32 | A24-S28 WeakPolarHBondContact O-CA 2.92Å; A24-S28 WeakPolarHBondContact O-CB 3.21Å; A24-S28 PolarHBondContact O-N 3.31Å; A24-S28 PolarHBondContact O-OG 3.31Å; N25-S28 CarbonylContact O-C 3.44Å; N25-S28 WeakPolarHBondContact O-CA 3.23Å; N25-S28 PolarHBondContact O-N 3.45Å; Q26-S28 VanDerWaalsContact C-N 3.33Å; S28-L30 PolarHBondContact O-N 3.13Å; S28-G31 VanDerWaalsContact O-CA 3.26Å; S28-G31 WeakPolarHBondContact O-CA 3.46Å; S28-G31 PolarHBondContact O-N 3.1Å; S28-W32 PolarHBondContact O-N 2.77Å |
| 29 | T | 36.8 | Very low | 43.8 | Very low | 121 Ų | 121 | 94.4 Ų | 94.4 | 74% | 0.742 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.5 | -28.1 | 161.8 | -145.3 | 0 | 0 | 0 | 0 | 110.4 | N25 Q26 | N25-T29 PolarHBondContact O-N 3.41Å; Q26-T29 WeakPolarHBondContact O-CG2 3.34Å |
| 30 | L | 36.2 | Very low | 44.4 | Very low | 127 Ų | 127 | 93.2 Ų | 93.2 | 67% | 0.665 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -79 | -19 | 165.7 | -146 | 79.4 | 0 | 0 | 0 | 113.1 | A27 S28 T34 | A27-L30 WeakPolarHBondContact O-CB 3.31Å; A27-L30 PolarHBondContact O-N 3.04Å; S28-L30 PolarHBondContact O-N 3.13Å; L30-T34 VanDerWaalsContact O-CB 3.3Å; L30-T34 WeakPolarHBondContact O-CB 2.95Å; L30-T34 PolarHBondContact O-N 2.88Å; L30-T34 PolarHBondContact O-OG1 3.47Å |
| 31 | G | 40 | Very low | 44.7 | Very low | 15 Ų | 15 | 90.6 Ų | 90.6 | 16% | 0.155 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -77.9 | -29.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | A27 S28 R35 | A27-G31 PolarHBondContact O-N 3.25Å; S28-G31 VanDerWaalsContact O-CA 3.26Å; S28-G31 WeakPolarHBondContact O-CA 3.46Å; S28-G31 PolarHBondContact O-N 3.1Å; G31-R35 WeakPolarHBondContact O-CB 3.31Å; G31-R35 WeakPolarHBondContact O-CD 3.26Å; G31-R35 WeakPolarHBondContact O-CG 3.26Å; G31-R35 PolarHBondContact O-N 3.48Å |
| 32 | W | 41.8 | Very low | 45.2 | Very low | 167 Ų | 167 | 88.2 Ų | 88.2 | 63% | 0.633 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -72.3 | -43.1 | 170.1 | -140.9 | 97.4 | 0 | 0 | 0 | 110.6 | S28 T34 R35 M36 I146 | S28-W32 PolarHBondContact O-N 2.77Å; W32-T34 PolarHBondContact O-N 3.05Å; W32-R35 PolarHBondContact O-N 3.47Å; W32-M36 HydrophobicContact CE3-CB 4.46Å; W32-M36 HydrophobicContact CE3-CE 4.06Å; W32-M36 HydrophobicContact CH2-CE 3.47Å; W32-M36 VanDerWaalsContact CH2-CE 3.47Å; W32-M36 HydrophobicContact CZ3-CE 3.15Å; W32-M36 VanDerWaalsContact O-CB 3.26Å; W32-M36 WeakPolarHBondContact O-CB 3.45Å; W32-M36 PolarHBondContact O-N 2.89Å; W32-I146 HydrophobicContact CH2-CD1 4.43Å |
| 33 | G | 38.8 | Very low | 45.6 | Very low | 43 Ų | 43 | 86.5 Ų | 86.5 | 44% | 0.443 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.5 | -36.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | K37 | G33-K37 WeakPolarHBondContact O-CA 2.98Å; G33-K37 WeakPolarHBondContact O-CB 3.44Å; G33-K37 PolarHBondContact O-N 2.95Å |
| 34 | T | 41.7 | Very low | 46.1 | Very low | 85 Ų | 85 | 86.8 Ų | 86.8 | 52% | 0.521 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -74.7 | -35.3 | 178.7 | -58.5 | 0 | 0 | 0 | 0 | 112.4 | L30 W32 K37 G38 | L30-T34 VanDerWaalsContact O-CB 3.3Å; L30-T34 WeakPolarHBondContact O-CB 2.95Å; L30-T34 PolarHBondContact O-N 2.88Å; L30-T34 PolarHBondContact O-OG1 3.47Å; W32-T34 PolarHBondContact O-N 3.05Å; T34-K37 PolarHBondContact O-N 3.46Å; T34-G38 PolarHBondContact O-N 3.3Å |
| 35 | R | 47.9 | Very low | 46.5 | Very low | 156 Ų | 156 | 90.3 Ų | 90.3 | 59% | 0.589 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.7 | -41.7 | 171.5 | -71.7 | 171 | -177 | 147.2 | 8.2 | 111.5 | G31 W32 G38 F39 | G31-R35 WeakPolarHBondContact O-CB 3.31Å; G31-R35 WeakPolarHBondContact O-CD 3.26Å; G31-R35 WeakPolarHBondContact O-CG 3.26Å; G31-R35 PolarHBondContact O-N 3.48Å; W32-R35 PolarHBondContact O-N 3.47Å; R35-G38 PolarHBondContact O-N 2.88Å; R35-F39 WeakPolarHBondContact O-CB 3.12Å; R35-F39 PolarHBondContact O-N 3.45Å |
| 36 | M | 47.6 | Very low | 46.7 | Very low | 50 Ų | 50 | 85.8 Ų | 85.8 | 25% | 0.246 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -67.6 | -39.2 | 174.3 | -170.2 | 60.4 | 76.4 | 0 | 0 | 111.6 | W32 G38 F39 I40 I146 | W32-M36 HydrophobicContact CE3-CB 4.46Å; W32-M36 HydrophobicContact CE3-CE 4.06Å; W32-M36 HydrophobicContact CH2-CE 3.47Å; W32-M36 VanDerWaalsContact CH2-CE 3.47Å; W32-M36 HydrophobicContact CZ3-CE 3.15Å; W32-M36 VanDerWaalsContact O-CB 3.26Å; W32-M36 WeakPolarHBondContact O-CB 3.45Å; W32-M36 PolarHBondContact O-N 2.89Å; M36-G38 VanDerWaalsContact C-N 3.33Å; M36-G38 PolarHBondContact O-N 3.3Å; M36-F39 WeakPolarHBondContact O-CB 3.42Å; M36-F39 PolarHBondContact O-N 3.35Å; M36-F39 HydrophobicContact SD-CD1 4.04Å; M36-I40 HydrophobicContact CG-CD1 3.88Å; M36-I40 HydrophobicContact CG-CG1 4.46Å; M36-I40 WeakPolarHBondContact O-CB 3.42Å; M36-I40 WeakPolarHBondContact O-CG1 3.22Å; M36-I40 PolarHBondContact O-N 2.97Å; M36-I146 HydrophobicContact CE-CD1 3.86Å |
| 37 | K | 44.5 | Very low | 47.3 | Very low | 157 Ų | 157 | 81.2 Ų | 81.2 | 68% | 0.683 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -67.7 | -33.3 | 174.6 | -175.2 | 172 | 171.9 | 175.5 | 0 | 111.5 | G33 T34 A41 | G33-K37 WeakPolarHBondContact O-CA 2.98Å; G33-K37 WeakPolarHBondContact O-CB 3.44Å; G33-K37 PolarHBondContact O-N 2.95Å; T34-K37 PolarHBondContact O-N 3.46Å; K37-A41 WeakPolarHBondContact O-CA 3.39Å; K37-A41 WeakPolarHBondContact O-CB 3.5Å; K37-A41 PolarHBondContact O-N 2.82Å |
| 38 | G | 50 | Low | 47.9 | Very low | 39 Ų | 39 | 82.3 Ų | 82.3 | 40% | 0.402 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.6 | -42.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T34 R35 M36 A41 C42 | T34-G38 PolarHBondContact O-N 3.3Å; R35-G38 PolarHBondContact O-N 2.88Å; M36-G38 VanDerWaalsContact C-N 3.33Å; M36-G38 PolarHBondContact O-N 3.3Å; G38-A41 PolarHBondContact O-N 3.37Å; G38-C42 WeakPolarHBondContact O-CB 3.16Å; G38-C42 PolarHBondContact O-N 2.87Å |
| 39 | F | 52.2 | Low | 48.3 | Very low | 66 Ų | 66 | 82.5 Ų | 82.5 | 29% | 0.289 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.8 | -48 | 172.6 | 177.1 | -99.7 | 0 | 0 | 0 | 111.5 | R35 M36 C42 F43 F138 | R35-F39 WeakPolarHBondContact O-CB 3.12Å; R35-F39 PolarHBondContact O-N 3.45Å; M36-F39 WeakPolarHBondContact O-CB 3.42Å; M36-F39 PolarHBondContact O-N 3.35Å; M36-F39 HydrophobicContact SD-CD1 4.04Å; F39-C42 PolarHBondContact O-N 2.93Å; F39-F43 VanDerWaalsContact O-CB 3.24Å; F39-F43 WeakPolarHBondContact O-CB 3.46Å; F39-F43 PolarHBondContact O-N 2.92Å; F39-F138 HydrophobicContact CE2-CD1 4.27Å; F39-F138 HydrophobicContact CE2-CE1 4.5Å |
| 40 | I | 54.2 | Low | 49 | Very low | 90 Ų | 90 | 78.1 Ų | 78.1 | 46% | 0.462 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 177.3 | -66.8 | 165.3 | 0 | 0 | 0 | 110.7 | M36 C42 F43 V44 | M36-I40 HydrophobicContact CG-CD1 3.88Å; M36-I40 HydrophobicContact CG-CG1 4.46Å; M36-I40 WeakPolarHBondContact O-CB 3.42Å; M36-I40 WeakPolarHBondContact O-CG1 3.22Å; M36-I40 PolarHBondContact O-N 2.97Å; I40-C42 VanDerWaalsContact C-N 3.33Å; I40-C42 PolarHBondContact O-N 3.44Å; I40-F43 PolarHBondContact O-N 2.86Å; I40-V44 HydrophobicContact CG2-CG2 4.19Å; I40-V44 WeakPolarHBondContact O-CB 3.13Å; I40-V44 VanDerWaalsContact O-CG2 3.23Å; I40-V44 WeakPolarHBondContact O-CG2 3.4Å; I40-V44 PolarHBondContact O-N 3.45Å |
| 41 | A | 52.5 | Low | 50.1 | Low | 57 Ų | 57 | 76.6 Ų | 76.6 | 47% | 0.471 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.7 | -40.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | K37 G38 L45 | K37-A41 WeakPolarHBondContact O-CA 3.39Å; K37-A41 WeakPolarHBondContact O-CB 3.5Å; K37-A41 PolarHBondContact O-N 2.82Å; G38-A41 PolarHBondContact O-N 3.37Å; A41-L45 WeakPolarHBondContact O-CB 3.36Å; A41-L45 PolarHBondContact O-N 2.97Å |
| 42 | C | 50 | Low | 50.8 | Low | 68 Ų | 68 | 80.8 Ų | 80.8 | 46% | 0.459 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -69.8 | -37.8 | 175.9 | -169.1 | 0 | 0 | 0 | 0 | 111.9 | G38 F39 I40 L45 G46 | G38-C42 WeakPolarHBondContact O-CB 3.16Å; G38-C42 PolarHBondContact O-N 2.87Å; F39-C42 PolarHBondContact O-N 2.93Å; I40-C42 VanDerWaalsContact C-N 3.33Å; I40-C42 PolarHBondContact O-N 3.44Å; C42-L45 PolarHBondContact O-N 2.71Å; C42-G46 PolarHBondContact O-N 2.85Å |
| 43 | F | 53.7 | Low | 51.4 | Low | 86 Ų | 86 | 74.2 Ų | 74.2 | 38% | 0.377 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62 | -51.3 | 173 | -174.9 | -89.7 | 0 | 0 | 0 | 110.9 | F39 I40 L45 G46 V47 F135 A139 | F39-F43 VanDerWaalsContact O-CB 3.24Å; F39-F43 WeakPolarHBondContact O-CB 3.46Å; F39-F43 PolarHBondContact O-N 2.92Å; I40-F43 PolarHBondContact O-N 2.86Å; F43-L45 VanDerWaalsContact C-N 3.34Å; F43-L45 PolarHBondContact O-N 3.19Å; F43-G46 PolarHBondContact O-N 2.75Å; F43-V47 HydrophobicContact CD1-CG2 4.31Å; F43-V47 HydrophobicContact CE1-CG2 4.07Å; F43-V47 HydrophobicContact CZ-CG2 4.5Å; F43-V47 WeakPolarHBondContact O-CG2 3.21Å; F43-V47 PolarHBondContact O-N 3.07Å; F43-F135 HydrophobicContact CB-CZ 4.07Å; F43-F135 HydrophobicContact CD1-CE1 4.5Å; F43-F135 HydrophobicContact CD1-CZ 4.06Å; F43-F135 HydrophobicContact CD2-CD1 4.43Å; F43-F135 AromaticContact CD2-CE1 3.36Å; F43-F135 HydrophobicContact CD2-CE1 3.36Å; F43-F135 HydrophobicContact CD2-CE2 4.08Å; F43-F135 AromaticContact CD2-CZ 3.12Å; F43-F135 HydrophobicContact CD2-CZ 3.12Å; F43-F135 HydrophobicContact CE1-CE1 4.28Å; F43-F135 HydrophobicContact CE1-CZ 4.28Å; F43-F135 HydrophobicContact CE2-CD1 4.09Å; F43-F135 AromaticContact CE2-CE1 3.08Å; F43-F135 HydrophobicContact CE2-CE1 3.08Å; F43-F135 AromaticContact CE2-CZ 3.41Å; F43-F135 HydrophobicContact CE2-CZ 3.41Å; F43-F135 VanDerWaalsContact CE2-CZ 3.41Å; F43-F135 HydrophobicContact CG-CE1 4.08Å; F43-F135 HydrophobicContact CG-CE2 4.41Å; F43-F135 AromaticContact CG-CZ 3.48Å; F43-F135 HydrophobicContact CG-CZ 3.48Å; F43-F135 VanDerWaalsContact CG-CZ 3.48Å; F43-F135 AromaticContact CZ-CE1 3.59Å; F43-F135 HydrophobicContact CZ-CE1 3.59Å; F43-F135 AromaticContact CZ-CZ 3.99Å; F43-F135 HydrophobicContact CZ-CZ 3.99Å; F43-F135 WeakPolarHBondContact O-CE2 3.18Å; F43-F135 WeakPolarHBondContact O-CZ 2.93Å; F43-A139 HydrophobicContact CE2-CB 4.47Å |
| 44 | V | 57.8 | Low | 52.2 | Low | 69 Ų | 69 | 76 Ų | 76 | 42% | 0.418 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 176.8 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | I40 G46 V47 L48 | I40-V44 HydrophobicContact CG2-CG2 4.19Å; I40-V44 WeakPolarHBondContact O-CB 3.13Å; I40-V44 VanDerWaalsContact O-CG2 3.23Å; I40-V44 WeakPolarHBondContact O-CG2 3.4Å; I40-V44 PolarHBondContact O-N 3.45Å; V44-G46 VanDerWaalsContact C-N 3.34Å; V44-G46 PolarHBondContact O-N 3.42Å; V44-V47 PolarHBondContact O-N 3.07Å; V44-L48 HydrophobicContact CG1-CD1 3.78Å; V44-L48 HydrophobicContact CG1-CG 4.21Å; V44-L48 VanDerWaalsContact O-CB 3.3Å; V44-L48 WeakPolarHBondContact O-CB 3.15Å; V44-L48 WeakPolarHBondContact O-CG 3.31Å; V44-L48 PolarHBondContact O-N 3.07Å |
| 45 | L | 55.1 | Low | 52.8 | Low | 119 Ų | 119 | 75.6 Ų | 75.6 | 62% | 0.623 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.3 | -40.3 | 175.7 | -165.8 | 80 | 0 | 0 | 0 | 111.6 | A41 C42 F43 L48 C49 | A41-L45 WeakPolarHBondContact O-CB 3.36Å; A41-L45 PolarHBondContact O-N 2.97Å; C42-L45 PolarHBondContact O-N 2.71Å; F43-L45 VanDerWaalsContact C-N 3.34Å; F43-L45 PolarHBondContact O-N 3.19Å; L45-L48 PolarHBondContact O-N 2.84Å; L45-C49 WeakPolarHBondContact O-CB 3.39Å; L45-C49 PolarHBondContact O-N 2.82Å |
| 46 | G | 49 | Very low | 53.1 | Low | 19 Ų | 19 | 71.3 Ų | 71.3 | 20% | 0.196 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -69 | -36.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | C42 F43 V44 C49 S50 | C42-G46 PolarHBondContact O-N 2.85Å; F43-G46 PolarHBondContact O-N 2.75Å; V44-G46 VanDerWaalsContact C-N 3.34Å; V44-G46 PolarHBondContact O-N 3.42Å; G46-C49 PolarHBondContact O-N 3.22Å; G46-S50 WeakPolarHBondContact O-CB 3.44Å; G46-S50 PolarHBondContact O-N 2.86Å; G46-S50 PolarHBondContact O-OG 3.35Å |
| 47 | V | 55.7 | Low | 53.4 | Low | 54 Ų | 54 | 72.9 Ų | 72.9 | 33% | 0.327 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.2 | -48.1 | 171 | 171.6 | 0 | 0 | 0 | 0 | 110.3 | F43 V44 C49 S50 I51 F135 | F43-V47 HydrophobicContact CD1-CG2 4.31Å; F43-V47 HydrophobicContact CE1-CG2 4.07Å; F43-V47 HydrophobicContact CZ-CG2 4.5Å; F43-V47 WeakPolarHBondContact O-CG2 3.21Å; F43-V47 PolarHBondContact O-N 3.07Å; V44-V47 PolarHBondContact O-N 3.07Å; V47-C49 VanDerWaalsContact C-N 3.26Å; V47-C49 PolarHBondContact O-N 3.49Å; V47-S50 PolarHBondContact O-N 3.27Å; V47-I51 HydrophobicContact CG1-CD1 3.78Å; V47-I51 HydrophobicContact CG1-CG1 4.43Å; V47-I51 VanDerWaalsContact O-CG1 3.3Å; V47-I51 WeakPolarHBondContact O-CG1 3.47Å; V47-I51 PolarHBondContact O-N 2.93Å; V47-F135 HydrophobicContact CG2-CE1 3.87Å; V47-F135 HydrophobicContact CG2-CZ 3.69Å |
| 48 | L | 56.3 | Low | 53.8 | Low | 87 Ų | 87 | 76.6 Ų | 76.6 | 46% | 0.455 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.4 | -37.6 | 175.8 | -71.2 | 173 | 0 | 0 | 0 | 111.4 | V44 L45 I51 L52 | V44-L48 HydrophobicContact CG1-CD1 3.78Å; V44-L48 HydrophobicContact CG1-CG 4.21Å; V44-L48 VanDerWaalsContact O-CB 3.3Å; V44-L48 WeakPolarHBondContact O-CB 3.15Å; V44-L48 WeakPolarHBondContact O-CG 3.31Å; V44-L48 PolarHBondContact O-N 3.07Å; L45-L48 PolarHBondContact O-N 2.84Å; L48-I51 PolarHBondContact O-N 3.3Å; L48-L52 WeakPolarHBondContact O-CB 3.14Å; L48-L52 WeakPolarHBondContact O-CD1 3.1Å; L48-L52 WeakPolarHBondContact O-CG 3.33Å; L48-L52 PolarHBondContact O-N 3.06Å |
| 49 | C | 53.3 | Low | 53.8 | Low | 57 Ų | 57 | 79.5 Ų | 79.5 | 39% | 0.385 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -72.1 | -34 | 177 | -159.4 | 0 | 0 | 0 | 0 | 112.1 | L45 G46 V47 G53 | L45-C49 WeakPolarHBondContact O-CB 3.39Å; L45-C49 PolarHBondContact O-N 2.82Å; G46-C49 PolarHBondContact O-N 3.22Å; V47-C49 VanDerWaalsContact C-N 3.26Å; V47-C49 PolarHBondContact O-N 3.49Å; C49-G53 VanDerWaalsContact O-CA 3.31Å; C49-G53 WeakPolarHBondContact O-CA 3.2Å; C49-G53 PolarHBondContact O-N 3.5Å |
| 50 | S | 51.7 | Low | 53.5 | Low | 30 Ų | 30 | 81.7 Ų | 81.7 | 21% | 0.21 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -66.5 | -42.1 | 169.8 | -74.4 | 0 | 0 | 0 | 0 | 112.2 | G46 V47 T54 | G46-S50 WeakPolarHBondContact O-CB 3.44Å; G46-S50 PolarHBondContact O-N 2.86Å; G46-S50 PolarHBondContact O-OG 3.35Å; V47-S50 PolarHBondContact O-N 3.27Å; S50-T54 WeakPolarHBondContact O-CB 3.29Å; S50-T54 PolarHBondContact O-N 3.48Å; S50-T54 PolarHBondContact O-OG1 3.18Å |
| 51 | I | 59 | Low | 53.4 | Low | 95 Ų | 95 | 88.5 Ų | 88.5 | 49% | 0.487 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.5 | -51.3 | 177.8 | -66.6 | 169.3 | 0 | 0 | 0 | 110 | V47 L48 G53 T54 C55 | V47-I51 HydrophobicContact CG1-CD1 3.78Å; V47-I51 HydrophobicContact CG1-CG1 4.43Å; V47-I51 VanDerWaalsContact O-CG1 3.3Å; V47-I51 WeakPolarHBondContact O-CG1 3.47Å; V47-I51 PolarHBondContact O-N 2.93Å; L48-I51 PolarHBondContact O-N 3.3Å; I51-G53 VanDerWaalsContact C-N 3.31Å; I51-G53 PolarHBondContact O-N 2.84Å; I51-T54 PolarHBondContact O-N 3.36Å; I51-C55 WeakPolarHBondContact O-CB 3.49Å; I51-C55 PolarHBondContact O-N 2.96Å; I51-C55 PolarHBondContact O-SG 2.79Å; I51-C55 VanDerWaalsContact O-SG 3.37Å |
| 52 | L | 54.6 | Low | 53.4 | Low | 102 Ų | 102 | 89.9 Ų | 89.9 | 53% | 0.534 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.6 | -40.7 | 175.2 | -75.7 | 165.8 | 0 | 0 | 0 | 111.2 | L48 C55 L56 | L48-L52 WeakPolarHBondContact O-CB 3.14Å; L48-L52 WeakPolarHBondContact O-CD1 3.1Å; L48-L52 WeakPolarHBondContact O-CG 3.33Å; L48-L52 PolarHBondContact O-N 3.06Å; L52-C55 PolarHBondContact O-N 3.17Å; L52-L56 VanDerWaalsContact O-CB 3.26Å; L52-L56 WeakPolarHBondContact O-CB 3.45Å; L52-L56 VanDerWaalsContact O-CD1 3.31Å; L52-L56 WeakPolarHBondContact O-CD1 3.37Å; L52-L56 PolarHBondContact O-N 3.23Å |
| 53 | G | 53.4 | Low | 53.6 | Low | 30 Ų | 30 | 87.3 Ų | 87.3 | 31% | 0.309 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | C49 I51 L57 | C49-G53 VanDerWaalsContact O-CA 3.31Å; C49-G53 WeakPolarHBondContact O-CA 3.2Å; C49-G53 PolarHBondContact O-N 3.5Å; I51-G53 VanDerWaalsContact C-N 3.31Å; I51-G53 PolarHBondContact O-N 2.84Å; G53-L57 WeakPolarHBondContact O-CB 3.31Å; G53-L57 PolarHBondContact O-N 3.34Å |
| 54 | T | 55.2 | Low | 53.6 | Low | 80 Ų | 80 | 87.6 Ų | 87.6 | 49% | 0.491 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.2 | -41.2 | 175 | -52.2 | 0 | 0 | 0 | 0 | 111.6 | S50 I51 L57 | S50-T54 WeakPolarHBondContact O-CB 3.29Å; S50-T54 PolarHBondContact O-N 3.48Å; S50-T54 PolarHBondContact O-OG1 3.18Å; I51-T54 PolarHBondContact O-N 3.36Å; T54-L57 WeakPolarHBondContact O-CB 3.38Å; T54-L57 PolarHBondContact O-N 3.43Å |
| 55 | C | 54.5 | Low | 53.4 | Low | 76 Ų | 76 | 89.7 Ų | 89.7 | 51% | 0.514 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.3 | -39.4 | 175.1 | -70.8 | 0 | 0 | 0 | 0 | 112.8 | I51 L52 L57 W58 | I51-C55 WeakPolarHBondContact O-CB 3.49Å; I51-C55 PolarHBondContact O-N 2.96Å; I51-C55 PolarHBondContact O-SG 2.79Å; I51-C55 VanDerWaalsContact O-SG 3.37Å; L52-C55 PolarHBondContact O-N 3.17Å; C55-L57 VanDerWaalsContact C-N 3.34Å; C55-W58 PolarHBondContact O-N 2.63Å |
| 56 | L | 54.5 | Low | 53.4 | Low | 66 Ų | 66 | 88.7 Ų | 88.7 | 35% | 0.346 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -73.7 | -24.6 | 177.5 | -97.6 | 68.4 | 0 | 0 | 0 | 112.4 | L52 W58 I59 | L52-L56 VanDerWaalsContact O-CB 3.26Å; L52-L56 WeakPolarHBondContact O-CB 3.45Å; L52-L56 VanDerWaalsContact O-CD1 3.31Å; L52-L56 WeakPolarHBondContact O-CD1 3.37Å; L52-L56 PolarHBondContact O-N 3.23Å; L56-W58 PolarHBondContact O-N 3.26Å; L56-I59 PolarHBondContact O-N 3.32Å |
| 57 | L | 53.5 | Low | 53.7 | Low | 84 Ų | 84 | 91.6 Ų | 91.6 | 44% | 0.44 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -22.6 | 174.7 | -150.5 | 143.1 | 0 | 0 | 0 | 111.9 | G53 T54 C55 I59 N124 L128 | G53-L57 WeakPolarHBondContact O-CB 3.31Å; G53-L57 PolarHBondContact O-N 3.34Å; T54-L57 WeakPolarHBondContact O-CB 3.38Å; T54-L57 PolarHBondContact O-N 3.43Å; C55-L57 VanDerWaalsContact C-N 3.34Å; L57-I59 VanDerWaalsContact C-N 3.35Å; L57-N124 HydrophobicContact CD1-CB 3.4Å; L57-N124 HydrophobicContact CD2-CB 4.19Å; L57-N124 HydrophobicContact CG-CB 3.65Å; L57-L128 HydrophobicContact CD1-CD1 3.86Å |
| 58 | W | 53.5 | Low | 53.6 | Low | 234 Ų | 234 | 91.1 Ų | 91.1 | 89% | 0.886 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -10.8 | 175.4 | -150.4 | -10.2 | 0 | 0 | 0 | 113.5 | C55 L56 P60 | C55-W58 PolarHBondContact O-N 2.63Å; L56-W58 PolarHBondContact O-N 3.26Å; W58-P60 WeakPolarHBondContact O-CD 3.47Å |
| 59 | I | 50.9 | Low | 53.6 | Low | 101 Ų | 101 | 91 Ų | 91 | 52% | 0.518 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -108.5 | 106.4 | -179.6 | -63.1 | 169.1 | 0 | 0 | 0 | 109.7 | L56 L57 | L56-I59 PolarHBondContact O-N 3.32Å; L57-I59 VanDerWaalsContact C-N 3.35Å |
| 60 | P | 45.8 | Very low | 53.7 | Low | 112 Ų | 112 | 93.9 Ų | 93.9 | 73% | 0.727 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | 144.7 | -177.9 | 25.9 | -30.7 | 0 | 0 | 0 | 112.4 | W58 V62 | W58-P60 WeakPolarHBondContact O-CD 3.47Å; P60-V62 PolarHBondContact O-N 2.97Å; P60-V62 VanDerWaalsContact O-N 3.13Å |
| 61 | R | 52 | Low | 54.1 | Low | 233 Ų | 233 | 94.9 Ų | 94.9 | 88% | 0.879 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | -36.7 | 174.5 | -69.5 | -173.3 | 178.9 | 161.3 | 0.3 | 119.5 | ||
| 62 | V | 52.9 | Low | 53.9 | Low | 85 Ų | 85 | 94.2 Ų | 94.2 | 52% | 0.515 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -28.6 | -169.9 | -175.8 | 0 | 0 | 0 | 0 | 113.2 | P60 L64 I65 L66 | P60-V62 PolarHBondContact O-N 2.97Å; P60-V62 VanDerWaalsContact O-N 3.13Å; V62-L64 PolarHBondContact O-N 2.73Å; V62-I65 PolarHBondContact O-N 3.42Å; V62-L66 HydrophobicContact CG1-CD1 3.99Å; V62-L66 PolarHBondContact O-N 3.43Å |
| 63 | G | 53 | Low | 54.2 | Low | 14 Ų | 14 | 95.2 Ų | 95.2 | 14% | 0.144 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -63.5 | -39.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115 | I65 F67 | G63-I65 VanDerWaalsContact C-N 3.34Å; G63-I65 PolarHBondContact O-N 3.32Å; G63-F67 VanDerWaalsContact O-CB 3.32Å; G63-F67 WeakPolarHBondContact O-CB 3.36Å; G63-F67 PolarHBondContact O-N 2.88Å |
| 64 | L | 53.1 | Low | 54.2 | Low | 92 Ų | 92 | 95.3 Ų | 95.3 | 48% | 0.482 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.8 | -34.6 | 179.6 | -80 | 163.4 | 0 | 0 | 0 | 112.8 | V62 A68 | V62-L64 PolarHBondContact O-N 2.73Å; L64-A68 WeakPolarHBondContact O-CB 3.41Å; L64-A68 PolarHBondContact O-N 3.23Å |
| 65 | I | 53.6 | Low | 54.3 | Low | 114 Ų | 114 | 93.5 Ų | 93.5 | 59% | 0.585 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -74.8 | -45.2 | -177.7 | -66.2 | 163.6 | 0 | 0 | 0 | 110.1 | V62 G63 F67 A68 V69 | V62-I65 PolarHBondContact O-N 3.42Å; G63-I65 VanDerWaalsContact C-N 3.34Å; G63-I65 PolarHBondContact O-N 3.32Å; I65-F67 VanDerWaalsContact C-N 3.29Å; I65-F67 PolarHBondContact O-N 2.77Å; I65-A68 PolarHBondContact O-N 2.91Å; I65-V69 WeakPolarHBondContact O-CG2 3.41Å; I65-V69 PolarHBondContact O-N 3.5Å |
| 66 | L | 56.3 | Low | 54.5 | Low | 97 Ų | 97 | 94.2 Ų | 94.2 | 51% | 0.508 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.3 | -37.9 | 174.7 | -111 | 90.1 | 0 | 0 | 0 | 111.8 | V62 V69 L70 | V62-L66 HydrophobicContact CG1-CD1 3.99Å; V62-L66 PolarHBondContact O-N 3.43Å; L66-V69 PolarHBondContact O-N 3.27Å; L66-L70 VanDerWaalsContact O-CB 3.32Å; L66-L70 WeakPolarHBondContact O-CB 3.49Å; L66-L70 PolarHBondContact O-N 2.62Å |
| 67 | F | 54.1 | Low | 54.5 | Low | 80 Ų | 80 | 93.9 Ų | 93.9 | 35% | 0.351 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.6 | -49.6 | 174.9 | -171.7 | -94.2 | 0 | 0 | 0 | 111 | G63 I65 V69 Y71 T114 | G63-F67 VanDerWaalsContact O-CB 3.32Å; G63-F67 WeakPolarHBondContact O-CB 3.36Å; G63-F67 PolarHBondContact O-N 2.88Å; I65-F67 VanDerWaalsContact C-N 3.29Å; I65-F67 PolarHBondContact O-N 2.77Å; F67-V69 VanDerWaalsContact C-N 3.33Å; F67-V69 PolarHBondContact O-N 3.44Å; F67-Y71 WeakPolarHBondContact O-CB 3.5Å; F67-Y71 PolarHBondContact O-N 2.77Å; F67-T114 HydrophobicContact CE1-CG2 3.98Å; F67-T114 HydrophobicContact CZ-CG2 3.96Å |
| 68 | A | 55.3 | Low | 54.6 | Low | 44 Ų | 44 | 93.1 Ų | 93.1 | 36% | 0.364 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.2 | -40.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L64 I65 T72 | L64-A68 WeakPolarHBondContact O-CB 3.41Å; L64-A68 PolarHBondContact O-N 3.23Å; I65-A68 PolarHBondContact O-N 2.91Å; A68-T72 PolarHBondContact O-N 3.37Å; A68-T72 PolarHBondContact O-OG1 2.85Å |
| 69 | V | 56.3 | Low | 54.6 | Low | 85 Ų | 85 | 86.9 Ų | 86.9 | 52% | 0.515 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -73.3 | -48.8 | -179.6 | 174.9 | 0 | 0 | 0 | 0 | 111.6 | I65 L66 F67 Y71 T72 L73 | I65-V69 WeakPolarHBondContact O-CG2 3.41Å; I65-V69 PolarHBondContact O-N 3.5Å; L66-V69 PolarHBondContact O-N 3.27Å; F67-V69 VanDerWaalsContact C-N 3.33Å; F67-V69 PolarHBondContact O-N 3.44Å; V69-Y71 PolarHBondContact O-N 3.41Å; V69-T72 PolarHBondContact O-N 3.5Å; V69-T72 PolarHBondContact O-OG1 2.89Å; V69-T72 VanDerWaalsContact O-OG1 3.11Å; V69-L73 VanDerWaalsContact O-CB 3.31Å; V69-L73 WeakPolarHBondContact O-CB 3.5Å; V69-L73 PolarHBondContact O-N 3.4Å |
| 70 | L | 55.6 | Low | 54.7 | Low | 118 Ų | 118 | 85.6 Ų | 85.6 | 62% | 0.618 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.6 | -33.1 | 176.3 | -80.6 | 165.5 | 0 | 0 | 0 | 111.8 | L66 G74 | L66-L70 VanDerWaalsContact O-CB 3.32Å; L66-L70 WeakPolarHBondContact O-CB 3.49Å; L66-L70 PolarHBondContact O-N 2.62Å; L70-G74 WeakPolarHBondContact O-CA 3.06Å; L70-G74 PolarHBondContact O-N 3.42Å |
| 71 | Y | 59.2 | Low | 54.6 | Low | 50 Ų | 50 | 84 Ų | 84 | 20% | 0.196 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -69.6 | -47.1 | 177.8 | 175.9 | -102.4 | 0 | 0 | 0 | 113 | F67 V69 N75 L111 | F67-Y71 WeakPolarHBondContact O-CB 3.5Å; F67-Y71 PolarHBondContact O-N 2.77Å; V69-Y71 PolarHBondContact O-N 3.41Å; Y71-N75 VanDerWaalsContact CD2-ND2 3.31Å; Y71-N75 WeakPolarHBondContact CD2-ND2 3.3Å; Y71-N75 VanDerWaalsContact CE2-ND2 3.27Å; Y71-N75 WeakPolarHBondContact CE2-ND2 3.17Å; Y71-N75 WeakPolarHBondContact O-CB 3.15Å; Y71-N75 PolarHBondContact O-N 3.01Å; Y71-N75 PolarHBondContact O-ND2 2.97Å; Y71-L111 HydrophobicContact CE1-CD2 4.39Å; Y71-L111 HydrophobicContact CE2-CG 4.1Å; Y71-L111 WeakPolarHBondContact OH-CA 3.4Å; Y71-L111 WeakPolarHBondContact OH-CD2 3.41Å; Y71-L111 WeakPolarHBondContact OH-CG 3.34Å; Y71-L111 PolarHBondContact OH-O 2.89Å |
| 72 | T | 54.8 | Low | 54.4 | Low | 82 Ų | 82 | 75.7 Ų | 75.7 | 50% | 0.503 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.9 | -43.8 | 177.2 | 39.4 | 0 | 0 | 0 | 0 | 111.1 | A68 V69 N75 V76 | A68-T72 PolarHBondContact O-N 3.37Å; A68-T72 PolarHBondContact O-OG1 2.85Å; V69-T72 PolarHBondContact O-N 3.5Å; V69-T72 PolarHBondContact O-OG1 2.89Å; V69-T72 VanDerWaalsContact O-OG1 3.11Å; T72-N75 PolarHBondContact O-N 3.27Å; T72-V76 WeakPolarHBondContact O-CB 3.3Å; T72-V76 VanDerWaalsContact O-CG2 3.28Å; T72-V76 WeakPolarHBondContact O-CG2 3.23Å; T72-V76 PolarHBondContact O-N 3.43Å |
| 73 | L | 61.1 | Low | 54 | Low | 123 Ų | 123 | 76.6 Ų | 76.6 | 64% | 0.644 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -64.2 | -43.5 | 177.4 | -150.3 | 101.3 | 0 | 0 | 0 | 111.8 | V69 A77 | V69-L73 VanDerWaalsContact O-CB 3.31Å; V69-L73 WeakPolarHBondContact O-CB 3.5Å; V69-L73 PolarHBondContact O-N 3.4Å; L73-A77 WeakPolarHBondContact O-CB 3.15Å; L73-A77 PolarHBondContact O-N 2.8Å |
| 74 | G | 52.3 | Low | 53.4 | Low | 32 Ų | 32 | 85.2 Ų | 85.2 | 33% | 0.33 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.5 | -36.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L70 S78 | L70-G74 WeakPolarHBondContact O-CA 3.06Å; L70-G74 PolarHBondContact O-N 3.42Å; G74-S78 VanDerWaalsContact O-CB 3.22Å; G74-S78 WeakPolarHBondContact O-CB 3.4Å; G74-S78 PolarHBondContact O-N 3.42Å; G74-S78 PolarHBondContact O-OG 3.46Å |
| 75 | N | 58.4 | Low | 52.8 | Low | 42 Ų | 42 | 88.1 Ų | 88.1 | 23% | 0.225 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -71.7 | -42.4 | 176.1 | -83.3 | -67.2 | 0 | 0 | 0 | 112.3 | Y71 T72 S78 L79 L111 | Y71-N75 VanDerWaalsContact CD2-ND2 3.31Å; Y71-N75 WeakPolarHBondContact CD2-ND2 3.3Å; Y71-N75 VanDerWaalsContact CE2-ND2 3.27Å; Y71-N75 WeakPolarHBondContact CE2-ND2 3.17Å; Y71-N75 WeakPolarHBondContact O-CB 3.15Å; Y71-N75 PolarHBondContact O-N 3.01Å; Y71-N75 PolarHBondContact O-ND2 2.97Å; T72-N75 PolarHBondContact O-N 3.27Å; N75-S78 PolarHBondContact O-N 3.13Å; N75-L79 WeakPolarHBondContact O-CB 3.14Å; N75-L79 VanDerWaalsContact O-CG 3.31Å; N75-L79 WeakPolarHBondContact O-CG 3.4Å; N75-L79 PolarHBondContact O-N 2.95Å; N75-L111 WeakPolarHBondContact OD1-CD1 3.34Å |
| 76 | V | 58 | Low | 52.2 | Low | 90 Ų | 90 | 86.7 Ų | 86.7 | 55% | 0.545 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.4 | -44.4 | 176.3 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | T72 S78 L79 C80 | T72-V76 WeakPolarHBondContact O-CB 3.3Å; T72-V76 VanDerWaalsContact O-CG2 3.28Å; T72-V76 WeakPolarHBondContact O-CG2 3.23Å; T72-V76 PolarHBondContact O-N 3.43Å; V76-S78 VanDerWaalsContact C-N 3.34Å; V76-S78 PolarHBondContact O-N 3.3Å; V76-L79 PolarHBondContact O-N 3.45Å; V76-C80 WeakPolarHBondContact O-CB 3.42Å; V76-C80 PolarHBondContact O-N 3.48Å; V76-C80 PolarHBondContact O-SG 2.99Å; V76-C80 VanDerWaalsContact O-SG 3.37Å |
| 77 | A | 55.1 | Low | 51.6 | Low | 59 Ų | 59 | 83.4 Ų | 83.4 | 49% | 0.488 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L73 S81 | L73-A77 WeakPolarHBondContact O-CB 3.15Å; L73-A77 PolarHBondContact O-N 2.8Å; A77-S81 VanDerWaalsContact O-CB 3.23Å; A77-S81 WeakPolarHBondContact O-CB 3.37Å; A77-S81 PolarHBondContact O-N 2.99Å |
| 78 | S | 54.9 | Low | 51.3 | Low | 69 Ų | 69 | 84.5 Ų | 84.5 | 48% | 0.483 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68 | -41.3 | 177.5 | -62.3 | 0 | 0 | 0 | 0 | 112.2 | G74 N75 V76 S81 T82 | G74-S78 VanDerWaalsContact O-CB 3.22Å; G74-S78 WeakPolarHBondContact O-CB 3.4Å; G74-S78 PolarHBondContact O-N 3.42Å; G74-S78 PolarHBondContact O-OG 3.46Å; N75-S78 PolarHBondContact O-N 3.13Å; V76-S78 VanDerWaalsContact C-N 3.34Å; V76-S78 PolarHBondContact O-N 3.3Å; S78-S81 PolarHBondContact O-N 3.48Å; S78-T82 WeakPolarHBondContact O-CB 3.41Å; S78-T82 PolarHBondContact O-N 3.46Å; S78-T82 PolarHBondContact O-OG1 2.81Å |
| 79 | L | 53.1 | Low | 50.8 | Low | 102 Ų | 102 | 89.7 Ų | 89.7 | 53% | 0.534 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64 | -45.8 | 175 | -76.1 | 167.8 | 0 | 0 | 0 | 111.2 | N75 V76 S81 T82 M83 | N75-L79 WeakPolarHBondContact O-CB 3.14Å; N75-L79 VanDerWaalsContact O-CG 3.31Å; N75-L79 WeakPolarHBondContact O-CG 3.4Å; N75-L79 PolarHBondContact O-N 2.95Å; V76-L79 PolarHBondContact O-N 3.45Å; L79-S81 PolarHBondContact O-N 3.4Å; L79-T82 PolarHBondContact O-N 3.24Å; L79-M83 WeakPolarHBondContact O-CG 3.37Å; L79-M83 PolarHBondContact O-N 3Å |
| 80 | C | 54.5 | Low | 50.4 | Low | 75 Ų | 75 | 90.4 Ų | 90.4 | 51% | 0.507 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 176.6 | -76.4 | 0 | 0 | 0 | 0 | 112.1 | V76 T82 M83 F84 | V76-C80 WeakPolarHBondContact O-CB 3.42Å; V76-C80 PolarHBondContact O-N 3.48Å; V76-C80 PolarHBondContact O-SG 2.99Å; V76-C80 VanDerWaalsContact O-SG 3.37Å; C80-T82 VanDerWaalsContact C-N 3.33Å; C80-T82 PolarHBondContact O-N 3.04Å; C80-M83 PolarHBondContact O-N 3.4Å; C80-F84 PolarHBondContact O-N 3.45Å |
| 81 | S | 42.6 | Very low | 49.6 | Very low | 77 Ų | 77 | 88 Ų | 88 | 54% | 0.538 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.2 | -35.3 | 178.7 | -159.4 | 0 | 0 | 0 | 0 | 111.9 | A77 S78 L79 F84 L85 | A77-S81 VanDerWaalsContact O-CB 3.23Å; A77-S81 WeakPolarHBondContact O-CB 3.37Å; A77-S81 PolarHBondContact O-N 2.99Å; S78-S81 PolarHBondContact O-N 3.48Å; L79-S81 PolarHBondContact O-N 3.4Å; S81-F84 PolarHBondContact O-N 2.88Å; S81-L85 WeakPolarHBondContact O-CB 3.49Å; S81-L85 PolarHBondContact O-N 3.25Å |
| 82 | T | 48.1 | Very low | 48.9 | Very low | 60 Ų | 60 | 92.3 Ų | 92.3 | 37% | 0.368 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -72.6 | -32.1 | 175.8 | -45.5 | 0 | 0 | 0 | 0 | 112.4 | S78 L79 C80 M86 | S78-T82 WeakPolarHBondContact O-CB 3.41Å; S78-T82 PolarHBondContact O-N 3.46Å; S78-T82 PolarHBondContact O-OG1 2.81Å; L79-T82 PolarHBondContact O-N 3.24Å; C80-T82 VanDerWaalsContact C-N 3.33Å; C80-T82 PolarHBondContact O-N 3.04Å; T82-M86 PolarHBondContact O-N 2.82Å |
| 83 | M | 45.7 | Very low | 48.4 | Very low | 103 Ų | 103 | 96.4 Ų | 96.4 | 51% | 0.507 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -70.5 | -35.8 | 174.6 | -76.1 | -175.9 | 177.4 | 0 | 0 | 112.3 | L79 C80 G87 | L79-M83 WeakPolarHBondContact O-CG 3.37Å; L79-M83 PolarHBondContact O-N 3Å; C80-M83 PolarHBondContact O-N 3.4Å; M83-G87 PolarHBondContact O-N 3.44Å |
| 84 | F | 40.3 | Very low | 47.6 | Very low | 195 Ų | 195 | 94.3 Ų | 94.3 | 86% | 0.855 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -73.7 | -30.2 | 178.5 | -141.1 | -98.5 | 0 | 0 | 0 | 113 | C80 S81 | C80-F84 PolarHBondContact O-N 3.45Å; S81-F84 PolarHBondContact O-N 2.88Å |
| 85 | L | 39.2 | Very low | 47 | Very low | 154 Ų | 154 | 100.4 Ų | 100.4 | 81% | 0.806 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -89.4 | -22.3 | -175.7 | -133.1 | 79.6 | 0 | 0 | 0 | 115.1 | S81 | S81-L85 WeakPolarHBondContact O-CB 3.49Å; S81-L85 PolarHBondContact O-N 3.25Å |
| 86 | M | 41.9 | Very low | 46.2 | Very low | 83 Ų | 83 | 103.9 Ų | 103.9 | 41% | 0.409 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -115.4 | -11.3 | -174.5 | -99.5 | 175.9 | -163.6 | 0 | 0 | 116 | T82 N90 R94 | T82-M86 PolarHBondContact O-N 2.82Å; M86-N90 VanDerWaalsContact O-CB 3.29Å; M86-N90 WeakPolarHBondContact O-CB 3.45Å; M86-R94 PolarHBondContact SD-NH1 3.18Å |
| 87 | G | 43.7 | Very low | 45.5 | Very low | 29 Ų | 29 | 102 Ų | 102 | 30% | 0.299 | 57% | 0.565 | S | S | . | * | trans | 73.9 | 130 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | M83 L89 N90 | M83-G87 PolarHBondContact O-N 3.44Å; G87-L89 PolarHBondContact O-N 3.35Å; G87-N90 PolarHBondContact O-N 2.76Å; G87-N90 VanDerWaalsContact O-N 3.07Å | ||
| 88 | P | 47.3 | Very low | 44.8 | Very low | 103 Ų | 103 | 108.6 Ų | 108.6 | 67% | 0.669 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -58.6 | -26.6 | -173 | 19.3 | -30.6 | 0 | 0 | 0 | 114.1 | ||
| 89 | L | 44.2 | Very low | 44.3 | Very low | 153 Ų | 153 | 112.6 Ų | 112.6 | 80% | 0.801 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -77.7 | -26.5 | 179.7 | -67.2 | 169.4 | 0 | 0 | 0 | 113.7 | G87 K93 | G87-L89 PolarHBondContact O-N 3.35Å; L89-K93 PolarHBondContact O-N 2.88Å |
| 90 | N | 49.1 | Very low | 44 | Very low | 99 Ų | 99 | 113.7 Ų | 113.7 | 53% | 0.529 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -83 | -17.9 | 176.1 | -98.7 | -14.6 | 0 | 0 | 0 | 112.7 | M86 G87 R94 | M86-N90 VanDerWaalsContact O-CB 3.29Å; M86-N90 WeakPolarHBondContact O-CB 3.45Å; G87-N90 PolarHBondContact O-N 2.76Å; G87-N90 VanDerWaalsContact O-N 3.07Å; N90-R94 VanDerWaalsContact O-CB 3.31Å; N90-R94 WeakPolarHBondContact O-CB 3.21Å; N90-R94 WeakPolarHBondContact O-CG 3.48Å; N90-R94 PolarHBondContact O-N 2.88Å; N90-R94 VanDerWaalsContact O-N 3.1Å |
| 91 | Q | 37.2 | Very low | 43.6 | Very low | 68 Ų | 68 | 112.2 Ų | 112.2 | 32% | 0.318 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67.9 | -40.2 | 169.4 | -88.4 | -144.2 | -0 | 0 | 0 | 112.1 | R94 | Q91-R94 PolarHBondContact O-N 3.45Å |
| 92 | L | 46.3 | Very low | 43.7 | Very low | 141 Ų | 141 | 112.7 Ų | 112.7 | 74% | 0.738 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.7 | -41.3 | 178.5 | -137.9 | 84.1 | 0 | 0 | 0 | 111.3 | R94 M95 | L92-R94 VanDerWaalsContact C-N 3.32Å; L92-R94 PolarHBondContact O-N 2.81Å; L92-M95 PolarHBondContact O-N 3.35Å |
| 93 | K | 43.1 | Very low | 43.7 | Very low | 167 Ų | 167 | 112.1 Ų | 112.1 | 73% | 0.726 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -70.5 | -27.4 | 178.6 | -142.8 | 175.3 | -174.8 | -175 | 0 | 112.9 | L89 M95 C96 | L89-K93 PolarHBondContact O-N 2.88Å; K93-M95 VanDerWaalsContact C-N 3.27Å; K93-M95 PolarHBondContact O-N 3.45Å; K93-C96 PolarHBondContact O-N 3.18Å |
| 94 | R | 44.7 | Very low | 43.8 | Very low | 79 Ų | 79 | 111 Ų | 111 | 30% | 0.298 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -69.9 | -16.5 | 173.8 | -84.5 | 177.3 | 67.2 | -153.2 | 1.1 | 114.2 | M86 N90 Q91 L92 C96 | M86-R94 PolarHBondContact SD-NH1 3.18Å; N90-R94 VanDerWaalsContact O-CB 3.31Å; N90-R94 WeakPolarHBondContact O-CB 3.21Å; N90-R94 WeakPolarHBondContact O-CG 3.48Å; N90-R94 PolarHBondContact O-N 2.88Å; N90-R94 VanDerWaalsContact O-N 3.1Å; Q91-R94 PolarHBondContact O-N 3.45Å; L92-R94 VanDerWaalsContact C-N 3.32Å; L92-R94 PolarHBondContact O-N 2.81Å; R94-C96 PolarHBondContact O-N 2.71Å |
| 95 | M | 40.1 | Very low | 44.2 | Very low | 161 Ų | 161 | 104.1 Ų | 104.1 | 79% | 0.793 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -11.4 | 172.8 | -71.9 | -159.8 | 159.9 | 0 | 0 | 113.6 | L92 K93 | L92-M95 PolarHBondContact O-N 3.35Å; K93-M95 VanDerWaalsContact C-N 3.27Å; K93-M95 PolarHBondContact O-N 3.45Å |
| 96 | C | 40.9 | Very low | 44.9 | Very low | 114 Ų | 114 | 99.2 Ų | 99.2 | 77% | 0.77 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -4.4 | -179.2 | -152.8 | 0 | 0 | 0 | 0 | 114.4 | K93 R94 | K93-C96 PolarHBondContact O-N 3.18Å; R94-C96 PolarHBondContact O-N 2.71Å |
| 97 | A | 43.7 | Very low | 45.3 | Very low | 52 Ų | 52 | 100.6 Ų | 100.6 | 43% | 0.43 | 54% | 0.541 | S | S | . | . | trans | -103.4 | 100.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | E99 R100 | A97-E99 PolarHBondContact O-N 3.4Å; A97-R100 PolarHBondContact O-N 3.33Å | ||
| 98 | K | 40.1 | Very low | 45.8 | Very low | 196 Ų | 196 | 104.5 Ų | 104.5 | 85% | 0.852 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -52.2 | -24.8 | -169 | -69.2 | 175.5 | 178.1 | 176.1 | 0 | 115.7 | ||
| 99 | E | 44 | Very low | 45.9 | Very low | 154 Ų | 154 | 103.1 Ų | 103.1 | 72% | 0.72 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -81.7 | -24.8 | -175.7 | -155.4 | 178.4 | 114.3 | 0 | 0 | 113.8 | A97 | A97-E99 PolarHBondContact O-N 3.4Å |
| 100 | R | 47.6 | Very low | 46.3 | Very low | 124 Ų | 124 | 97 Ų | 97 | 47% | 0.468 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -95.7 | -18.4 | 179.2 | -65.5 | -174.1 | -177.3 | 175.5 | 5.8 | 113.4 | A97 T104 | A97-R100 PolarHBondContact O-N 3.33Å; R100-T104 PolarHBondContact O-N 3.32Å; R100-T104 PolarHBondContact O-OG1 3.34Å |
| 101 | A | 45.3 | Very low | 46.4 | Very low | 45 Ų | 45 | 94.5 Ų | 94.5 | 37% | 0.372 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.5 | -37.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | T104 A105 | A101-T104 PolarHBondContact O-N 3.1Å; A101-A105 WeakPolarHBondContact O-CB 3.3Å; A101-A105 PolarHBondContact O-N 3.42Å |
| 102 | L | 45.5 | Very low | 47.2 | Very low | 86 Ų | 86 | 94.7 Ų | 94.7 | 45% | 0.45 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.8 | -46 | 179.6 | -161.5 | 108.1 | 0 | 0 | 0 | 111.9 | T104 A105 I106 | L102-T104 VanDerWaalsContact C-N 3.33Å; L102-T104 PolarHBondContact O-N 3.34Å; L102-A105 PolarHBondContact O-N 2.81Å; L102-I106 HydrophobicContact CD2-CD1 3.58Å; L102-I106 HydrophobicContact CG-CD1 3.85Å; L102-I106 WeakPolarHBondContact O-CB 3.24Å; L102-I106 WeakPolarHBondContact O-CD1 3.48Å; L102-I106 WeakPolarHBondContact O-CG1 3.18Å; L102-I106 PolarHBondContact O-N 2.79Å |
| 103 | A | 46.9 | Very low | 47.5 | Very low | 49 Ų | 49 | 92 Ų | 92 | 41% | 0.405 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64 | -38.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | M107 | A103-M107 WeakPolarHBondContact O-CB 3.49Å; A103-M107 PolarHBondContact O-N 3.02Å |
| 104 | T | 48.6 | Very low | 47.9 | Very low | 80 Ų | 80 | 86.3 Ų | 86.3 | 49% | 0.491 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71.8 | -40.8 | 177.7 | -39.7 | 0 | 0 | 0 | 0 | 110.8 | R100 A101 L102 M107 L108 | R100-T104 PolarHBondContact O-N 3.32Å; R100-T104 PolarHBondContact O-OG1 3.34Å; A101-T104 PolarHBondContact O-N 3.1Å; L102-T104 VanDerWaalsContact C-N 3.33Å; L102-T104 PolarHBondContact O-N 3.34Å; T104-M107 PolarHBondContact O-N 3.36Å; T104-L108 WeakPolarHBondContact O-CB 3.38Å; T104-L108 PolarHBondContact O-N 2.77Å |
| 105 | A | 49.8 | Very low | 48 | Very low | 49 Ų | 49 | 87.2 Ų | 87.2 | 41% | 0.405 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | A101 L102 L108 T109 | A101-A105 WeakPolarHBondContact O-CB 3.3Å; A101-A105 PolarHBondContact O-N 3.42Å; L102-A105 PolarHBondContact O-N 2.81Å; A105-L108 PolarHBondContact O-N 2.95Å; A105-T109 WeakPolarHBondContact O-CB 3.47Å; A105-T109 PolarHBondContact O-N 2.88Å; A105-T109 PolarHBondContact O-OG1 2.92Å |
| 106 | I | 53.1 | Low | 48.4 | Very low | 51 Ų | 51 | 82.6 Ų | 82.6 | 26% | 0.262 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.8 | -43.1 | 176.2 | -66 | 162 | 0 | 0 | 0 | 110.6 | L102 L108 T109 C110 F138 | L102-I106 HydrophobicContact CD2-CD1 3.58Å; L102-I106 HydrophobicContact CG-CD1 3.85Å; L102-I106 WeakPolarHBondContact O-CB 3.24Å; L102-I106 WeakPolarHBondContact O-CD1 3.48Å; L102-I106 WeakPolarHBondContact O-CG1 3.18Å; L102-I106 PolarHBondContact O-N 2.79Å; I106-L108 VanDerWaalsContact C-N 3.34Å; I106-L108 PolarHBondContact O-N 3.44Å; I106-T109 PolarHBondContact O-N 3.39Å; I106-C110 WeakPolarHBondContact O-CB 3.05Å; I106-C110 PolarHBondContact O-N 3.41Å; I106-C110 PolarHBondContact O-SG 3.2Å; I106-F138 HydrophobicContact CB-CE2 4.44Å; I106-F138 HydrophobicContact CG2-CD2 4Å; I106-F138 HydrophobicContact CG2-CE2 3.64Å |
| 107 | M | 50.9 | Low | 48.8 | Very low | 113 Ų | 113 | 78.6 Ų | 78.6 | 56% | 0.557 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -56.9 | -47.6 | 172.1 | -93.5 | -78.6 | -76.7 | 0 | 0 | 111.6 | A103 T104 T109 L111 | A103-M107 WeakPolarHBondContact O-CB 3.49Å; A103-M107 PolarHBondContact O-N 3.02Å; T104-M107 PolarHBondContact O-N 3.36Å; M107-T109 VanDerWaalsContact C-N 3.35Å; M107-T109 PolarHBondContact O-N 3.03Å; M107-L111 WeakPolarHBondContact O-CB 3.15Å; M107-L111 PolarHBondContact O-N 3.47Å |
| 108 | L | 53.2 | Low | 49 | Very low | 111 Ų | 111 | 77.6 Ų | 77.6 | 58% | 0.581 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -66.1 | -37.7 | 178.6 | -149.5 | 83.5 | 0 | 0 | 0 | 111.8 | T104 A105 I106 L111 V112 | T104-L108 WeakPolarHBondContact O-CB 3.38Å; T104-L108 PolarHBondContact O-N 2.77Å; A105-L108 PolarHBondContact O-N 2.95Å; I106-L108 VanDerWaalsContact C-N 3.34Å; I106-L108 PolarHBondContact O-N 3.44Å; L108-L111 WeakPolarHBondContact O-CB 3.35Å; L108-L111 PolarHBondContact O-N 3.38Å; L108-V112 VanDerWaalsContact O-CG2 3.26Å; L108-V112 WeakPolarHBondContact O-CG2 3.23Å; L108-V112 PolarHBondContact O-N 3.26Å |
| 109 | T | 50 | Low | 49.2 | Very low | 73 Ų | 73 | 76.2 Ų | 76.2 | 45% | 0.448 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -70.8 | -43.4 | 179.2 | -59.6 | 0 | 0 | 0 | 0 | 110.9 | A105 I106 M107 L111 V112 L113 | A105-T109 WeakPolarHBondContact O-CB 3.47Å; A105-T109 PolarHBondContact O-N 2.88Å; A105-T109 PolarHBondContact O-OG1 2.92Å; I106-T109 PolarHBondContact O-N 3.39Å; M107-T109 VanDerWaalsContact C-N 3.35Å; M107-T109 PolarHBondContact O-N 3.03Å; T109-L111 VanDerWaalsContact C-N 3.3Å; T109-L111 PolarHBondContact O-N 3.19Å; T109-V112 PolarHBondContact O-N 3.45Å; T109-L113 HydrophobicContact CG2-CD1 3.42Å; T109-L113 VanDerWaalsContact CG2-CD1 3.42Å; T109-L113 WeakPolarHBondContact O-CB 3.36Å; T109-L113 WeakPolarHBondContact O-CD1 2.96Å; T109-L113 PolarHBondContact O-N 2.69Å |
| 110 | C | 51.5 | Low | 49.2 | Very low | 25 Ų | 25 | 79.2 Ų | 79.2 | 17% | 0.169 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -57.6 | -44.6 | 171.5 | -74.9 | 0 | 0 | 0 | 0 | 111.4 | I106 V112 L113 T114 Q134 | I106-C110 WeakPolarHBondContact O-CB 3.05Å; I106-C110 PolarHBondContact O-N 3.41Å; I106-C110 PolarHBondContact O-SG 3.2Å; C110-V112 PolarHBondContact O-N 2.87Å; C110-L113 PolarHBondContact O-N 2.86Å; C110-T114 WeakPolarHBondContact O-CB 3.42Å; C110-T114 PolarHBondContact O-N 3.5Å; C110-T114 PolarHBondContact O-OG1 3.35Å; C110-Q134 WeakPolarHBondContact SG-CG 3.23Å; C110-Q134 PolarHBondContact SG-NE2 3.45Å |
| 111 | L | 52.9 | Low | 49.1 | Very low | 47 Ų | 47 | 81 Ų | 81 | 25% | 0.246 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 178.4 | -168.7 | 162.8 | 0 | 0 | 0 | 110.6 | Y71 N75 M107 L108 T109 M115 | Y71-L111 HydrophobicContact CE1-CD2 4.39Å; Y71-L111 HydrophobicContact CE2-CG 4.1Å; Y71-L111 WeakPolarHBondContact OH-CA 3.4Å; Y71-L111 WeakPolarHBondContact OH-CD2 3.41Å; Y71-L111 WeakPolarHBondContact OH-CG 3.34Å; Y71-L111 PolarHBondContact OH-O 2.89Å; N75-L111 WeakPolarHBondContact OD1-CD1 3.34Å; M107-L111 WeakPolarHBondContact O-CB 3.15Å; M107-L111 PolarHBondContact O-N 3.47Å; L108-L111 WeakPolarHBondContact O-CB 3.35Å; L108-L111 PolarHBondContact O-N 3.38Å; T109-L111 VanDerWaalsContact C-N 3.3Å; T109-L111 PolarHBondContact O-N 3.19Å; L111-M115 WeakPolarHBondContact O-CB 3.04Å; L111-M115 PolarHBondContact O-N 2.77Å |
| 112 | V | 53.6 | Low | 49.4 | Very low | 72 Ų | 72 | 87 Ų | 87 | 44% | 0.436 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.5 | -42.2 | 175.2 | 173.3 | 0 | 0 | 0 | 0 | 112.1 | L108 T109 C110 M115 C116 | L108-V112 VanDerWaalsContact O-CG2 3.26Å; L108-V112 WeakPolarHBondContact O-CG2 3.23Å; L108-V112 PolarHBondContact O-N 3.26Å; T109-V112 PolarHBondContact O-N 3.45Å; C110-V112 PolarHBondContact O-N 2.87Å; V112-M115 WeakPolarHBondContact O-CB 3.24Å; V112-M115 PolarHBondContact O-N 3.36Å; V112-C116 PolarHBondContact O-N 2.82Å; V112-C116 PolarHBondContact O-SG 3.37Å; V112-C116 VanDerWaalsContact O-SG 3.35Å |
| 113 | L | 52.2 | Low | 49.8 | Very low | 83 Ų | 83 | 87.6 Ų | 87.6 | 44% | 0.435 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.8 | -38.2 | 178.2 | -92.1 | 100.1 | 0 | 0 | 0 | 112.7 | T109 C110 M115 C116 S117 | T109-L113 HydrophobicContact CG2-CD1 3.42Å; T109-L113 VanDerWaalsContact CG2-CD1 3.42Å; T109-L113 WeakPolarHBondContact O-CB 3.36Å; T109-L113 WeakPolarHBondContact O-CD1 2.96Å; T109-L113 PolarHBondContact O-N 2.69Å; C110-L113 PolarHBondContact O-N 2.86Å; L113-M115 VanDerWaalsContact C-N 3.3Å; L113-C116 PolarHBondContact O-N 2.77Å; L113-S117 WeakPolarHBondContact O-CB 3.39Å; L113-S117 PolarHBondContact O-N 3.5Å; L113-S117 PolarHBondContact O-OG 2.72Å |
| 114 | T | 50.8 | Low | 50.1 | Low | 49 Ų | 49 | 89 Ų | 89 | 30% | 0.301 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.2 | -37.5 | 172.6 | -58.6 | 0 | 0 | 0 | 0 | 111 | F67 C110 S117 A118 | F67-T114 HydrophobicContact CE1-CG2 3.98Å; F67-T114 HydrophobicContact CZ-CG2 3.96Å; C110-T114 WeakPolarHBondContact O-CB 3.42Å; C110-T114 PolarHBondContact O-N 3.5Å; C110-T114 PolarHBondContact O-OG1 3.35Å; T114-S117 PolarHBondContact O-OG 2.79Å; T114-A118 VanDerWaalsContact O-CB 3.28Å; T114-A118 WeakPolarHBondContact O-CB 3.45Å; T114-A118 PolarHBondContact O-N 3.3Å |
| 115 | M | 47.5 | Very low | 50.4 | Low | 97 Ų | 97 | 87.7 Ų | 87.7 | 48% | 0.478 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.1 | -41.5 | 174.7 | -157.9 | 166.2 | 90.4 | 0 | 0 | 111.8 | L111 V112 L113 F119 | L111-M115 WeakPolarHBondContact O-CB 3.04Å; L111-M115 PolarHBondContact O-N 2.77Å; V112-M115 WeakPolarHBondContact O-CB 3.24Å; V112-M115 PolarHBondContact O-N 3.36Å; L113-M115 VanDerWaalsContact C-N 3.3Å; M115-F119 HydrophobicContact CG-CD2 4.36Å; M115-F119 PolarHBondContact O-N 3.47Å; M115-F119 VanDerWaalsContact O-N 3.1Å |
| 116 | C | 49.3 | Very low | 50.6 | Low | 65 Ų | 65 | 88.7 Ų | 88.7 | 44% | 0.439 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.7 | -38 | 176.2 | -71.6 | 0 | 0 | 0 | 0 | 112.8 | V112 L113 W120 | V112-C116 PolarHBondContact O-N 2.82Å; V112-C116 PolarHBondContact O-SG 3.37Å; V112-C116 VanDerWaalsContact O-SG 3.35Å; L113-C116 PolarHBondContact O-N 2.77Å; C116-W120 WeakPolarHBondContact O-CB 3.4Å; C116-W120 PolarHBondContact O-N 3.46Å |
| 117 | S | 47.6 | Very low | 50.7 | Low | 29 Ų | 29 | 87.5 Ų | 87.5 | 20% | 0.203 | 45% | 0.454 | C | S | . | . | I | π-helix | trans | -69.6 | -36.8 | 177.8 | 77.7 | 0 | 0 | 0 | 0 | 111.9 | L113 T114 | L113-S117 WeakPolarHBondContact O-CB 3.39Å; L113-S117 PolarHBondContact O-N 3.5Å; L113-S117 PolarHBondContact O-OG 2.72Å; T114-S117 PolarHBondContact O-OG 2.79Å |
| 118 | A | 48.2 | Very low | 51.1 | Low | 32 Ų | 32 | 84.2 Ų | 84.2 | 26% | 0.264 | 44% | 0.438 | S | S | . | . | I | π-helix | trans | -68 | -38.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T114 | T114-A118 VanDerWaalsContact O-CB 3.28Å; T114-A118 WeakPolarHBondContact O-CB 3.45Å; T114-A118 PolarHBondContact O-N 3.3Å |
| 119 | F | 45.9 | Very low | 51.4 | Low | 166 Ų | 166 | 83.6 Ų | 83.6 | 73% | 0.728 | 44% | 0.435 | S | S | * | . | I | π-helix | trans | -89.9 | -38.1 | -177 | -90.5 | -87.7 | 0 | 0 | 0 | 114.6 | M115 | M115-F119 HydrophobicContact CG-CD2 4.36Å; M115-F119 PolarHBondContact O-N 3.47Å; M115-F119 VanDerWaalsContact O-N 3.1Å |
| 120 | W | 42.1 | Very low | 51.8 | Low | 218 Ų | 218 | 85.5 Ų | 85.5 | 83% | 0.826 | 44% | 0.438 | S | S | * | . | I | π-helix | trans | -92.3 | -39.6 | -166.1 | -149.7 | -74.2 | 0 | 0 | 0 | 113.9 | C116 | C116-W120 WeakPolarHBondContact O-CB 3.4Å; C116-W120 PolarHBondContact O-N 3.46Å |
| 121 | W | 45.8 | Very low | 52.2 | Low | 160 Ų | 160 | 87 Ų | 87 | 61% | 0.606 | 45% | 0.448 | S | S | * | . | I | π-helix | trans | -95 | -22.7 | -170.1 | -137.2 | -71 | 0 | 0 | 0 | 113.5 | N123 L126 | W121-N123 PolarHBondContact O-N 3.15Å; W121-L126 HydrophobicContact CD2-CD2 4.22Å; W121-L126 HydrophobicContact CG-CD2 4.39Å; W121-L126 HydrophobicContact CZ2-CD2 4.17Å |
| 122 | K | 52.1 | Low | 52.7 | Low | 173 Ų | 173 | 88.3 Ų | 88.3 | 75% | 0.752 | 45% | 0.454 | S | S | * | . | trans | 47.1 | 15.6 | -175.9 | -99.7 | -173.8 | 179 | 178.1 | 0 | 114.7 | ||||
| 123 | N | 53.1 | Low | 52.9 | Low | 97 Ų | 97 | 89.6 Ų | 89.6 | 52% | 0.519 | 46% | 0.458 | S | S | . | . | trans | -111.1 | 107.5 | 178.8 | -92.7 | -26.9 | 0 | 0 | 0 | 108.8 | W121 G125 L126 A127 | W121-N123 PolarHBondContact O-N 3.15Å; N123-G125 PolarHBondContact O-N 3.39Å; N123-L126 PolarHBondContact O-N 2.98Å; N123-A127 PolarHBondContact O-N 3.17Å | ||
| 124 | N | 54.5 | Low | 53.1 | Low | 80 Ų | 80 | 88.7 Ų | 88.7 | 43% | 0.428 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.4 | -31.1 | -173.7 | -51.9 | -50 | 0 | 0 | 0 | 112.1 | L57 L128 | L57-N124 HydrophobicContact CD1-CB 3.4Å; L57-N124 HydrophobicContact CD2-CB 4.19Å; L57-N124 HydrophobicContact CG-CB 3.65Å; N124-L128 WeakPolarHBondContact O-CB 3.2Å; N124-L128 PolarHBondContact O-N 2.73Å |
| 125 | G | 55.3 | Low | 53.6 | Low | 52 Ų | 52 | 88.9 Ų | 88.9 | 54% | 0.536 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -70.1 | -38.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | N123 L128 L129 | N123-G125 PolarHBondContact O-N 3.39Å; G125-L128 PolarHBondContact O-N 3.04Å; G125-L129 WeakPolarHBondContact O-CB 3.46Å; G125-L129 PolarHBondContact O-N 3.49Å |
| 126 | L | 52.2 | Low | 54.2 | Low | 69 Ų | 69 | 88.4 Ų | 88.4 | 36% | 0.361 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -72.2 | -38.1 | -179.5 | -120.7 | 72.8 | 0 | 0 | 0 | 111.5 | W121 N123 L128 L129 F130 | W121-L126 HydrophobicContact CD2-CD2 4.22Å; W121-L126 HydrophobicContact CG-CD2 4.39Å; W121-L126 HydrophobicContact CZ2-CD2 4.17Å; N123-L126 PolarHBondContact O-N 2.98Å; L126-L128 VanDerWaalsContact C-N 3.3Å; L126-L128 PolarHBondContact O-N 2.93Å; L126-L129 PolarHBondContact O-N 2.82Å; L126-F130 WeakPolarHBondContact O-CD2 3.14Å; L126-F130 PolarHBondContact O-N 3.45Å |
| 127 | A | 56.5 | Low | 54.4 | Low | 27 Ų | 27 | 88.1 Ų | 88.1 | 22% | 0.223 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -62.3 | -39.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | N123 F130 C131 | N123-A127 PolarHBondContact O-N 3.17Å; A127-F130 PolarHBondContact O-N 2.94Å; A127-C131 WeakPolarHBondContact O-CB 3.25Å; A127-C131 PolarHBondContact O-N 3.46Å |
| 128 | L | 59.3 | Low | 54.8 | Low | 43 Ų | 43 | 90.3 Ų | 90.3 | 23% | 0.225 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -68.8 | -40.9 | 178.5 | -154.1 | 150.2 | 0 | 0 | 0 | 111.5 | L57 N124 G125 L126 C131 I132 | L57-L128 HydrophobicContact CD1-CD1 3.86Å; N124-L128 WeakPolarHBondContact O-CB 3.2Å; N124-L128 PolarHBondContact O-N 2.73Å; G125-L128 PolarHBondContact O-N 3.04Å; L126-L128 VanDerWaalsContact C-N 3.3Å; L126-L128 PolarHBondContact O-N 2.93Å; L128-C131 WeakPolarHBondContact O-CB 3.21Å; L128-C131 PolarHBondContact O-N 2.85Å; L128-I132 HydrophobicContact CD2-CD1 3.58Å; L128-I132 HydrophobicContact CD2-CG1 4.26Å; L128-I132 WeakPolarHBondContact O-CG1 3.44Å; L128-I132 PolarHBondContact O-N 3.38Å |
| 129 | L | 60.1 | Low | 55.3 | Low | 98 Ų | 98 | 90 Ų | 90 | 51% | 0.513 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.6 | -47.4 | 173.8 | -174.2 | 72.4 | 0 | 0 | 0 | 112 | G125 L126 C131 I132 L133 | G125-L129 WeakPolarHBondContact O-CB 3.46Å; G125-L129 PolarHBondContact O-N 3.49Å; L126-L129 PolarHBondContact O-N 2.82Å; L129-C131 VanDerWaalsContact C-N 3.31Å; L129-C131 PolarHBondContact O-N 2.95Å; L129-I132 PolarHBondContact O-N 3.43Å; L129-L133 HydrophobicContact CG-CD1 4.31Å; L129-L133 PolarHBondContact O-N 3.37Å |
| 130 | F | 58.3 | Low | 55.8 | Low | 114 Ų | 114 | 87.4 Ų | 87.4 | 50% | 0.5 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.9 | -38.4 | 176.1 | -89.4 | -68 | 0 | 0 | 0 | 112.1 | L126 A127 L133 Q134 | L126-F130 WeakPolarHBondContact O-CD2 3.14Å; L126-F130 PolarHBondContact O-N 3.45Å; A127-F130 PolarHBondContact O-N 2.94Å; F130-L133 PolarHBondContact O-N 2.69Å; F130-Q134 WeakPolarHBondContact O-CB 3.26Å; F130-Q134 PolarHBondContact O-N 3.25Å |
| 131 | C | 59.2 | Low | 56.4 | Low | 57 Ų | 57 | 83.3 Ų | 83.3 | 39% | 0.385 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64 | -41.5 | 177.5 | -157.4 | 0 | 0 | 0 | 0 | 112.3 | A127 L128 L129 Q134 F135 | A127-C131 WeakPolarHBondContact O-CB 3.25Å; A127-C131 PolarHBondContact O-N 3.46Å; L128-C131 WeakPolarHBondContact O-CB 3.21Å; L128-C131 PolarHBondContact O-N 2.85Å; L129-C131 VanDerWaalsContact C-N 3.31Å; L129-C131 PolarHBondContact O-N 2.95Å; C131-Q134 WeakPolarHBondContact O-CB 3.19Å; C131-Q134 PolarHBondContact O-N 2.75Å; C131-F135 WeakPolarHBondContact O-CB 3.39Å; C131-F135 PolarHBondContact O-N 2.83Å |
| 132 | I | 62.8 | Low | 56.9 | Low | 74 Ų | 74 | 76.7 Ų | 76.7 | 38% | 0.379 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 175.7 | -69.5 | 170.9 | 0 | 0 | 0 | 111 | L128 L129 Q134 F135 L136 | L128-I132 HydrophobicContact CD2-CD1 3.58Å; L128-I132 HydrophobicContact CD2-CG1 4.26Å; L128-I132 WeakPolarHBondContact O-CG1 3.44Å; L128-I132 PolarHBondContact O-N 3.38Å; L129-I132 PolarHBondContact O-N 3.43Å; I132-Q134 VanDerWaalsContact C-N 3.31Å; I132-Q134 PolarHBondContact O-N 2.61Å; I132-F135 WeakPolarHBondContact O-CB 3.26Å; I132-F135 PolarHBondContact O-N 2.91Å; I132-L136 HydrophobicContact CG2-CD1 3.9Å; I132-L136 PolarHBondContact O-N 2.8Å |
| 133 | L | 58.4 | Low | 57 | Low | 98 Ų | 98 | 70.2 Ų | 70.2 | 51% | 0.513 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.7 | -40.4 | 175.6 | -92 | 156.6 | 0 | 0 | 0 | 111.9 | L129 F130 F135 L136 A137 | L129-L133 HydrophobicContact CG-CD1 4.31Å; L129-L133 PolarHBondContact O-N 3.37Å; F130-L133 PolarHBondContact O-N 2.69Å; L133-F135 VanDerWaalsContact C-N 3.31Å; L133-F135 PolarHBondContact O-N 3.05Å; L133-L136 PolarHBondContact O-N 3.45Å; L133-A137 WeakPolarHBondContact O-CB 3.08Å; L133-A137 PolarHBondContact O-N 3.22Å |
| 134 | Q | 57 | Low | 56.9 | Low | 65 Ų | 65 | 67.4 Ų | 67.4 | 30% | 0.304 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 175.3 | -151.5 | 79.9 | 36.8 | 0 | 0 | 111.1 | C110 F130 C131 I132 A137 F138 | C110-Q134 WeakPolarHBondContact SG-CG 3.23Å; C110-Q134 PolarHBondContact SG-NE2 3.45Å; F130-Q134 WeakPolarHBondContact O-CB 3.26Å; F130-Q134 PolarHBondContact O-N 3.25Å; C131-Q134 WeakPolarHBondContact O-CB 3.19Å; C131-Q134 PolarHBondContact O-N 2.75Å; I132-Q134 VanDerWaalsContact C-N 3.31Å; I132-Q134 PolarHBondContact O-N 2.61Å; Q134-A137 PolarHBondContact O-N 2.74Å; Q134-F138 WeakPolarHBondContact O-CB 3.26Å; Q134-F138 PolarHBondContact O-N 2.88Å |
| 135 | F | 60.3 | Low | 56.6 | Low | 52 Ų | 52 | 71.2 Ų | 71.2 | 23% | 0.228 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.6 | -41.5 | -178.8 | -157.1 | -99.9 | 0 | 0 | 0 | 111.9 | F43 V47 C131 I132 L133 F138 A139 | F43-F135 HydrophobicContact CB-CZ 4.07Å; F43-F135 HydrophobicContact CD1-CE1 4.5Å; F43-F135 HydrophobicContact CD1-CZ 4.06Å; F43-F135 HydrophobicContact CD2-CD1 4.43Å; F43-F135 AromaticContact CD2-CE1 3.36Å; F43-F135 HydrophobicContact CD2-CE1 3.36Å; F43-F135 HydrophobicContact CD2-CE2 4.08Å; F43-F135 AromaticContact CD2-CZ 3.12Å; F43-F135 HydrophobicContact CD2-CZ 3.12Å; F43-F135 HydrophobicContact CE1-CE1 4.28Å; F43-F135 HydrophobicContact CE1-CZ 4.28Å; F43-F135 HydrophobicContact CE2-CD1 4.09Å; F43-F135 AromaticContact CE2-CE1 3.08Å; F43-F135 HydrophobicContact CE2-CE1 3.08Å; F43-F135 AromaticContact CE2-CZ 3.41Å; F43-F135 HydrophobicContact CE2-CZ 3.41Å; F43-F135 VanDerWaalsContact CE2-CZ 3.41Å; F43-F135 HydrophobicContact CG-CE1 4.08Å; F43-F135 HydrophobicContact CG-CE2 4.41Å; F43-F135 AromaticContact CG-CZ 3.48Å; F43-F135 HydrophobicContact CG-CZ 3.48Å; F43-F135 VanDerWaalsContact CG-CZ 3.48Å; F43-F135 AromaticContact CZ-CE1 3.59Å; F43-F135 HydrophobicContact CZ-CE1 3.59Å; F43-F135 AromaticContact CZ-CZ 3.99Å; F43-F135 HydrophobicContact CZ-CZ 3.99Å; F43-F135 WeakPolarHBondContact O-CE2 3.18Å; F43-F135 WeakPolarHBondContact O-CZ 2.93Å; V47-F135 HydrophobicContact CG2-CE1 3.87Å; V47-F135 HydrophobicContact CG2-CZ 3.69Å; C131-F135 WeakPolarHBondContact O-CB 3.39Å; C131-F135 PolarHBondContact O-N 2.83Å; I132-F135 WeakPolarHBondContact O-CB 3.26Å; I132-F135 PolarHBondContact O-N 2.91Å; L133-F135 VanDerWaalsContact C-N 3.31Å; L133-F135 PolarHBondContact O-N 3.05Å; F135-F138 PolarHBondContact O-N 3.33Å; F135-A139 WeakPolarHBondContact O-CB 3.39Å; F135-A139 PolarHBondContact O-N 3.27Å |
| 136 | L | 59.6 | Low | 56.3 | Low | 87 Ų | 87 | 71.5 Ų | 71.5 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 173.1 | -86.6 | 156.2 | 0 | 0 | 0 | 112 | I132 L133 A139 W140 | I132-L136 HydrophobicContact CG2-CD1 3.9Å; I132-L136 PolarHBondContact O-N 2.8Å; L133-L136 PolarHBondContact O-N 3.45Å; L136-A139 PolarHBondContact O-N 3.35Å; L136-W140 VanDerWaalsContact O-CB 3.24Å; L136-W140 WeakPolarHBondContact O-CB 3.43Å; L136-W140 PolarHBondContact O-N 3.31Å |
| 137 | A | 54.7 | Low | 56 | Low | 60 Ų | 60 | 72.9 Ų | 72.9 | 50% | 0.496 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L133 Q134 W140 Y141 | L133-A137 WeakPolarHBondContact O-CB 3.08Å; L133-A137 PolarHBondContact O-N 3.22Å; Q134-A137 PolarHBondContact O-N 2.74Å; A137-W140 PolarHBondContact O-N 2.79Å; A137-Y141 WeakPolarHBondContact O-CB 2.99Å; A137-Y141 PolarHBondContact O-N 2.87Å |
| 138 | F | 55.3 | Low | 55.8 | Low | 75 Ų | 75 | 80 Ų | 80 | 33% | 0.329 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -71.7 | -40.8 | 179.1 | -146.4 | -86.5 | 0 | 0 | 0 | 112 | F39 I106 Q134 F135 Y141 G142 | F39-F138 HydrophobicContact CE2-CD1 4.27Å; F39-F138 HydrophobicContact CE2-CE1 4.5Å; I106-F138 HydrophobicContact CB-CE2 4.44Å; I106-F138 HydrophobicContact CG2-CD2 4Å; I106-F138 HydrophobicContact CG2-CE2 3.64Å; Q134-F138 WeakPolarHBondContact O-CB 3.26Å; Q134-F138 PolarHBondContact O-N 2.88Å; F135-F138 PolarHBondContact O-N 3.33Å; F138-Y141 PolarHBondContact O-N 2.92Å; F138-G142 PolarHBondContact O-N 3.49Å |
| 139 | A | 59.3 | Low | 55.5 | Low | 26 Ų | 26 | 79.2 Ų | 79.2 | 22% | 0.215 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -58.8 | -49 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | F43 F135 L136 Y141 G142 L143 | F43-A139 HydrophobicContact CE2-CB 4.47Å; F135-A139 WeakPolarHBondContact O-CB 3.39Å; F135-A139 PolarHBondContact O-N 3.27Å; L136-A139 PolarHBondContact O-N 3.35Å; A139-Y141 VanDerWaalsContact C-N 3.33Å; A139-Y141 PolarHBondContact O-N 2.99Å; A139-G142 PolarHBondContact O-N 3.29Å; A139-L143 VanDerWaalsContact O-CB 3.23Å; A139-L143 WeakPolarHBondContact O-CB 3.28Å; A139-L143 PolarHBondContact O-N 3.39Å |
| 140 | W | 55.8 | Low | 55.2 | Low | 110 Ų | 110 | 79.5 Ų | 79.5 | 42% | 0.417 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62 | -37.4 | 178.8 | -165.7 | -91.6 | 0 | 0 | 0 | 113.4 | L136 A137 S144 V153 I154 | L136-W140 VanDerWaalsContact O-CB 3.24Å; L136-W140 WeakPolarHBondContact O-CB 3.43Å; L136-W140 PolarHBondContact O-N 3.31Å; A137-W140 PolarHBondContact O-N 2.79Å; W140-S144 WeakPolarHBondContact O-CB 3.23Å; W140-S144 PolarHBondContact O-N 2.76Å; W140-S144 PolarHBondContact O-OG 3.41Å; W140-V153 HydrophobicContact CE3-CG1 4.48Å; W140-V153 HydrophobicContact CZ3-CG1 4.07Å; W140-I154 HydrophobicContact CH2-CD1 4.4Å; W140-I154 HydrophobicContact CH2-CG1 3.77Å; W140-I154 HydrophobicContact CZ2-CG1 4.42Å |
| 141 | Y | 55.8 | Low | 55.1 | Low | 132 Ų | 132 | 79.3 Ų | 79.3 | 52% | 0.518 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -68.9 | -44.7 | 176.7 | -167.2 | -99.2 | 0 | 0 | 0 | 111.6 | A137 F138 A139 S144 | A137-Y141 WeakPolarHBondContact O-CB 2.99Å; A137-Y141 PolarHBondContact O-N 2.87Å; F138-Y141 PolarHBondContact O-N 2.92Å; A139-Y141 VanDerWaalsContact C-N 3.33Å; A139-Y141 PolarHBondContact O-N 2.99Å; Y141-S144 PolarHBondContact O-N 2.78Å |
| 142 | G | 55.2 | Low | 55.2 | Low | 22 Ų | 22 | 79.3 Ų | 79.3 | 23% | 0.227 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.1 | -39.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F138 A139 S144 Y145 | F138-G142 PolarHBondContact O-N 3.49Å; A139-G142 PolarHBondContact O-N 3.29Å; G142-S144 VanDerWaalsContact C-N 3.29Å; G142-S144 PolarHBondContact O-N 2.79Å; G142-Y145 PolarHBondContact O-N 2.84Å |
| 143 | L | 54.4 | Low | 55.1 | Low | 36 Ų | 36 | 78 Ų | 78 | 19% | 0.188 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66.2 | -31.1 | 177.2 | -135.7 | 72 | 0 | 0 | 0 | 112.5 | A139 Y145 I146 A149 V153 | A139-L143 VanDerWaalsContact O-CB 3.23Å; A139-L143 WeakPolarHBondContact O-CB 3.28Å; A139-L143 PolarHBondContact O-N 3.39Å; L143-Y145 PolarHBondContact O-N 2.88Å; L143-I146 CarbonylContact O-C 3.53Å; L143-I146 PolarHBondContact O-N 3.08Å; L143-I146 VanDerWaalsContact O-N 3.08Å; L143-A149 HydrophobicContact CD1-CB 3.49Å; L143-A149 VanDerWaalsContact CD1-CB 3.49Å; L143-A149 VanDerWaalsContact CD2-O 3.28Å; L143-A149 WeakPolarHBondContact CD2-O 3.47Å; L143-A149 HydrophobicContact CG-CB 3.64Å; L143-V153 HydrophobicContact CD2-CB 3.47Å; L143-V153 VanDerWaalsContact CD2-CB 3.47Å; L143-V153 HydrophobicContact CD2-CG1 4.1Å; L143-V153 HydrophobicContact CD2-CG2 3.3Å |
| 144 | S | 50.7 | Low | 55.4 | Low | 39 Ų | 39 | 76.5 Ų | 76.5 | 27% | 0.273 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -19 | 177.8 | -66.2 | 0 | 0 | 0 | 0 | 113.5 | W140 Y141 G142 R150 | W140-S144 WeakPolarHBondContact O-CB 3.23Å; W140-S144 PolarHBondContact O-N 2.76Å; W140-S144 PolarHBondContact O-OG 3.41Å; Y141-S144 PolarHBondContact O-N 2.78Å; G142-S144 VanDerWaalsContact C-N 3.29Å; G142-S144 PolarHBondContact O-N 2.79Å; S144-R150 VanDerWaalsContact OG-CZ 3.29Å; S144-R150 PolarHBondContact OG-NE 3.24Å; S144-R150 PolarHBondContact OG-NH2 3.27Å |
| 145 | Y | 48.1 | Very low | 55.8 | Low | 160 Ų | 160 | 80.8 Ų | 80.8 | 63% | 0.627 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -14.1 | 174.2 | -102.2 | -91.3 | 0 | 0 | 0 | 113.5 | G142 L143 | G142-Y145 PolarHBondContact O-N 2.84Å; L143-Y145 PolarHBondContact O-N 2.88Å |
| 146 | I | 49.8 | Very low | 55.9 | Low | 57 Ų | 57 | 81.1 Ų | 81.1 | 29% | 0.292 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -118.7 | 101.4 | 178.6 | -55.7 | 173.6 | 0 | 0 | 0 | 107.8 | W32 M36 L143 F148 A149 R150 | W32-I146 HydrophobicContact CH2-CD1 4.43Å; M36-I146 HydrophobicContact CE-CD1 3.86Å; L143-I146 CarbonylContact O-C 3.53Å; L143-I146 PolarHBondContact O-N 3.08Å; L143-I146 VanDerWaalsContact O-N 3.08Å; I146-F148 HydrophobicContact CG2-CB 4.36Å; I146-F148 PolarHBondContact O-N 3.23Å; I146-F148 VanDerWaalsContact O-N 3.08Å; I146-A149 HydrophobicContact CB-CB 4.02Å; I146-A149 HydrophobicContact CG2-CB 3.97Å; I146-A149 PolarHBondContact O-N 3.49Å; I146-R150 PolarHBondContact O-N 3.46Å |
| 147 | P | 45.7 | Very low | 56 | Low | 99 Ų | 99 | 82.1 Ų | 82.1 | 64% | 0.643 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -53.9 | -38.2 | -174.1 | 19.1 | -30.7 | 0 | 0 | 0 | 112.1 | A149 R150 D151 | P147-A149 PolarHBondContact O-N 3.08Å; P147-R150 PolarHBondContact O-N 3.04Å; P147-D151 PolarHBondContact O-N 3.03Å |
| 148 | F | 51.8 | Low | 56.3 | Low | 176 Ų | 176 | 82.9 Ų | 82.9 | 77% | 0.772 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -66.9 | -33.9 | -179.6 | -150.1 | -93 | 0 | 0 | 0 | 114.8 | I146 A152 | I146-F148 HydrophobicContact CG2-CB 4.36Å; I146-F148 PolarHBondContact O-N 3.23Å; I146-F148 VanDerWaalsContact O-N 3.08Å; F148-A152 PolarHBondContact O-N 3.41Å |
| 149 | A | 52.5 | Low | 56.6 | Low | 27 Ų | 27 | 84.5 Ų | 84.5 | 22% | 0.223 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -80.1 | -36 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L143 I146 P147 A152 V153 | L143-A149 HydrophobicContact CD1-CB 3.49Å; L143-A149 VanDerWaalsContact CD1-CB 3.49Å; L143-A149 VanDerWaalsContact CD2-O 3.28Å; L143-A149 WeakPolarHBondContact CD2-O 3.47Å; L143-A149 HydrophobicContact CG-CB 3.64Å; I146-A149 HydrophobicContact CB-CB 4.02Å; I146-A149 HydrophobicContact CG2-CB 3.97Å; I146-A149 PolarHBondContact O-N 3.49Å; P147-A149 PolarHBondContact O-N 3.08Å; A149-A152 PolarHBondContact O-N 3.24Å; A149-V153 PolarHBondContact O-N 3.3Å; A149-V153 VanDerWaalsContact O-N 3.14Å |
| 150 | R | 54.1 | Low | 56.2 | Low | 104 Ų | 104 | 88.7 Ų | 88.7 | 39% | 0.392 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.7 | -47.2 | 175.6 | -145.4 | -165.1 | -151.2 | -139.9 | 11.8 | 111.3 | S144 I146 P147 A152 V153 I154 | S144-R150 VanDerWaalsContact OG-CZ 3.29Å; S144-R150 PolarHBondContact OG-NE 3.24Å; S144-R150 PolarHBondContact OG-NH2 3.27Å; I146-R150 PolarHBondContact O-N 3.46Å; P147-R150 PolarHBondContact O-N 3.04Å; R150-A152 VanDerWaalsContact C-N 3.34Å; R150-A152 PolarHBondContact O-N 3.05Å; R150-V153 PolarHBondContact O-N 3.39Å; R150-I154 HydrophobicContact CG-CD1 4.34Å; R150-I154 VanDerWaalsContact O-CG1 3.3Å; R150-I154 WeakPolarHBondContact O-CG1 3.3Å; R150-I154 PolarHBondContact O-N 2.89Å |
| 151 | D | 57.2 | Low | 56.1 | Low | 110 Ų | 110 | 90.5 Ų | 90.5 | 59% | 0.588 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.1 | -39.6 | 177 | -85.5 | -54.4 | 0 | 0 | 0 | 112.4 | P147 K155 | P147-D151 PolarHBondContact O-N 3.03Å; D151-K155 WeakPolarHBondContact O-CB 3.44Å; D151-K155 PolarHBondContact O-N 3.45Å |
| 152 | A | 60.4 | Low | 55.5 | Low | 56 Ų | 56 | 95.6 Ų | 95.6 | 46% | 0.463 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | F148 A149 R150 K155 A156 | F148-A152 PolarHBondContact O-N 3.41Å; A149-A152 PolarHBondContact O-N 3.24Å; R150-A152 VanDerWaalsContact C-N 3.34Å; R150-A152 PolarHBondContact O-N 3.05Å; A152-K155 PolarHBondContact O-N 2.89Å; A152-A156 WeakPolarHBondContact O-CB 3.41Å; A152-A156 PolarHBondContact O-N 2.92Å |
| 153 | V | 61 | Low | 55.5 | Low | 47 Ų | 47 | 99.3 Ų | 99.3 | 29% | 0.285 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -74.2 | -38.8 | 178.9 | 169.2 | 0 | 0 | 0 | 0 | 111.8 | W140 L143 A149 R150 K155 A156 F157 | W140-V153 HydrophobicContact CE3-CG1 4.48Å; W140-V153 HydrophobicContact CZ3-CG1 4.07Å; L143-V153 HydrophobicContact CD2-CB 3.47Å; L143-V153 VanDerWaalsContact CD2-CB 3.47Å; L143-V153 HydrophobicContact CD2-CG1 4.1Å; L143-V153 HydrophobicContact CD2-CG2 3.3Å; A149-V153 PolarHBondContact O-N 3.3Å; A149-V153 VanDerWaalsContact O-N 3.14Å; R150-V153 PolarHBondContact O-N 3.39Å; V153-K155 VanDerWaalsContact C-N 3.29Å; V153-K155 PolarHBondContact O-N 3.42Å; V153-A156 PolarHBondContact O-N 3.28Å; V153-F157 HydrophobicContact CG1-CD2 3.79Å; V153-F157 HydrophobicContact CG1-CE2 4.05Å; V153-F157 PolarHBondContact O-N 2.98Å |
| 154 | I | 64.3 | Low | 55.6 | Low | 66 Ų | 66 | 102.6 Ų | 102.6 | 34% | 0.338 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.8 | -44.7 | 172.8 | -68.8 | 167.1 | 0 | 0 | 0 | 109.7 | W140 R150 F157 S158 | W140-I154 HydrophobicContact CH2-CD1 4.4Å; W140-I154 HydrophobicContact CH2-CG1 3.77Å; W140-I154 HydrophobicContact CZ2-CG1 4.42Å; R150-I154 HydrophobicContact CG-CD1 4.34Å; R150-I154 VanDerWaalsContact O-CG1 3.3Å; R150-I154 WeakPolarHBondContact O-CG1 3.3Å; R150-I154 PolarHBondContact O-N 2.89Å; I154-F157 PolarHBondContact O-N 3.39Å; I154-S158 WeakPolarHBondContact O-CB 3.38Å; I154-S158 PolarHBondContact O-N 3.14Å; I154-S158 PolarHBondContact O-OG 3.28Å; I154-S158 VanDerWaalsContact O-OG 3.05Å |
| 155 | K | 65 | Low | 55.8 | Low | 156 Ų | 156 | 106.2 Ų | 106.2 | 68% | 0.678 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60 | -46.2 | 173.9 | -112 | 179 | 176.9 | 177 | 0 | 112.8 | D151 A152 V153 F157 S158 V159 | D151-K155 WeakPolarHBondContact O-CB 3.44Å; D151-K155 PolarHBondContact O-N 3.45Å; A152-K155 PolarHBondContact O-N 2.89Å; V153-K155 VanDerWaalsContact C-N 3.29Å; V153-K155 PolarHBondContact O-N 3.42Å; K155-F157 PolarHBondContact O-N 3Å; K155-S158 PolarHBondContact O-N 3.26Å; K155-V159 WeakPolarHBondContact O-CB 3.39Å; K155-V159 VanDerWaalsContact O-CG2 3.28Å; K155-V159 WeakPolarHBondContact O-CG2 3.28Å; K155-V159 PolarHBondContact O-N 2.95Å |
| 156 | A | 63.2 | Low | 56.3 | Low | 58 Ų | 58 | 103 Ų | 103 | 48% | 0.479 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.1 | -42.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A152 V153 V159 C160 | A152-A156 WeakPolarHBondContact O-CB 3.41Å; A152-A156 PolarHBondContact O-N 2.92Å; V153-A156 PolarHBondContact O-N 3.28Å; A156-V159 PolarHBondContact O-N 3.49Å; A156-C160 WeakPolarHBondContact O-CB 3.48Å; A156-C160 PolarHBondContact O-N 2.92Å |
| 157 | F | 61.7 | Low | 56.7 | Low | 108 Ų | 108 | 105.9 Ų | 105.9 | 47% | 0.474 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.7 | -41.8 | 174.8 | -95.3 | -87.1 | 0 | 0 | 0 | 112.3 | V153 I154 K155 V159 C160 L161 | V153-F157 HydrophobicContact CG1-CD2 3.79Å; V153-F157 HydrophobicContact CG1-CE2 4.05Å; V153-F157 PolarHBondContact O-N 2.98Å; I154-F157 PolarHBondContact O-N 3.39Å; K155-F157 PolarHBondContact O-N 3Å; F157-V159 VanDerWaalsContact C-N 3.3Å; F157-V159 PolarHBondContact O-N 3.49Å; F157-C160 PolarHBondContact O-N 3.37Å; F157-L161 WeakPolarHBondContact O-CB 3.39Å; F157-L161 PolarHBondContact O-N 3.45Å |
| 158 | S | 60.3 | Low | 57.4 | Low | 77 Ų | 77 | 106.3 Ų | 106.3 | 54% | 0.538 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.8 | -29.8 | 175.9 | -63 | 0 | 0 | 0 | 0 | 113.4 | I154 K155 | I154-S158 WeakPolarHBondContact O-CB 3.38Å; I154-S158 PolarHBondContact O-N 3.14Å; I154-S158 PolarHBondContact O-OG 3.28Å; I154-S158 VanDerWaalsContact O-OG 3.05Å; K155-S158 PolarHBondContact O-N 3.26Å |
| 159 | V | 63.1 | Low | 57.8 | Low | 109 Ų | 109 | 101.4 Ų | 101.4 | 66% | 0.661 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -76 | -34.6 | 174.3 | 169.2 | 0 | 0 | 0 | 0 | 111.6 | K155 A156 F157 | K155-V159 WeakPolarHBondContact O-CB 3.39Å; K155-V159 VanDerWaalsContact O-CG2 3.28Å; K155-V159 WeakPolarHBondContact O-CG2 3.28Å; K155-V159 PolarHBondContact O-N 2.95Å; A156-V159 PolarHBondContact O-N 3.49Å; F157-V159 VanDerWaalsContact C-N 3.3Å; F157-V159 PolarHBondContact O-N 3.49Å |
| 160 | C | 50.7 | Low | 58.2 | Low | 113 Ų | 113 | 107.1 Ų | 107.1 | 76% | 0.764 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -84.1 | -20.3 | -177.7 | -144.7 | 0 | 0 | 0 | 0 | 113.8 | A156 F157 K162 | A156-C160 WeakPolarHBondContact O-CB 3.48Å; A156-C160 PolarHBondContact O-N 2.92Å; F157-C160 PolarHBondContact O-N 3.37Å; C160-K162 VanDerWaalsContact C-N 3.32Å |
| 161 | L | 54 | Low | 58.6 | Low | 149 Ų | 149 | 107.3 Ų | 107.3 | 78% | 0.78 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | 4.3 | 173.4 | -90.2 | 160 | 0 | 0 | 0 | 113.5 | F157 | F157-L161 WeakPolarHBondContact O-CB 3.39Å; F157-L161 PolarHBondContact O-N 3.45Å |
| 162 | K | 42 | Very low | 58.7 | Low | 239 Ų | 239 | 107.1 Ų | 107.1 | 100% | 1.039 | 59% | 0.591 | S | S | * | * | trans | -107.9 | 0 | 174.9 | -172.8 | 164.9 | -175.3 | 161.4 | 0 | 110 | C160 | C160-K162 VanDerWaalsContact C-N 3.32Š|
Retrieved 162 of 162 residues in 86.7 ms
(Link to these results)