| 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 | G | 35.9 | Very low | 48.2 | Very low | 132 Ų | 132 | 143.3 Ų | 143.3 | 100% | 1.361 | 88% | 0.876 | S | S | * | * | 0 | 125.4 | 0 | 0 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 2 | S | 41.3 | Very low | 48.1 | Very low | 108 Ų | 108 | 137.2 Ų | 137.2 | 76% | 0.755 | 86% | 0.863 | S | S | * | * | trans | 53 | 90.7 | 161.4 | -134.6 | 0 | 0 | 0 | 0 | 119.7 | S4 | S2-S4 PolarHBondContact OG-OG 3.36Š| ||
| 3 | C | 39.4 | Very low | 48.2 | Very low | 138 Ų | 138 | 141.7 Ų | 141.7 | 93% | 0.932 | 86% | 0.862 | S | S | * | * | trans | -85.8 | 111.2 | 140.9 | -85.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 4 | S | 45.6 | Very low | 48.6 | Very low | 102 Ų | 102 | 143.9 Ų | 143.9 | 71% | 0.713 | 86% | 0.864 | S | S | * | * | trans | -90.3 | 111 | 169.3 | -72.3 | 0 | 0 | 0 | 0 | 109.2 | S2 | S2-S4 PolarHBondContact OG-OG 3.36Š| ||
| 5 | S | 54.9 | Low | 49.3 | Very low | 112 Ų | 112 | 148.5 Ų | 148.5 | 78% | 0.783 | 87% | 0.869 | S | S | * | * | trans | -51.6 | 127.8 | 158.1 | 48.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 6 | L | 46.3 | Very low | 49.4 | Very low | 170 Ų | 170 | 144 Ų | 144 | 89% | 0.89 | 86% | 0.864 | S | S | * | * | trans | -144.6 | 118.9 | 152.4 | -99.7 | 146.9 | 0 | 0 | 0 | 108.7 | ||||
| 7 | D | 49.5 | Very low | 49 | Very low | 137 Ų | 137 | 140.2 Ų | 140.2 | 73% | 0.733 | 86% | 0.861 | S | S | * | * | trans | -65.5 | 117.2 | -172.6 | -165.3 | -34 | 0 | 0 | 0 | 111.5 | S9 | D7-S9 PolarHBondContact OD1-N 3.4Å; D7-S9 VanDerWaalsContact OD1-N 3.1Å | ||
| 8 | M | 53.2 | Low | 49.2 | Very low | 192 Ų | 192 | 137.5 Ų | 137.5 | 95% | 0.946 | 87% | 0.866 | S | S | * | * | trans | -98.8 | 63.1 | 167.6 | -76.4 | -165.9 | 83.7 | 0 | 0 | 110.5 | ||||
| 9 | S | 56.2 | Low | 48.9 | Very low | 97 Ų | 97 | 133.8 Ų | 133.8 | 68% | 0.678 | 86% | 0.857 | S | S | * | * | trans | -145.4 | 46.1 | 172.2 | -101.1 | 0 | 0 | 0 | 0 | 114.5 | D7 | D7-S9 PolarHBondContact OD1-N 3.4Å; D7-S9 VanDerWaalsContact OD1-N 3.1Å | ||
| 10 | L | 53.8 | Low | 48.7 | Very low | 170 Ų | 170 | 137.6 Ų | 137.6 | 89% | 0.89 | 86% | 0.859 | S | S | * | * | S | Bend | trans | -107.9 | 14.4 | 172.1 | -136.8 | 86.2 | 0 | 0 | 0 | 115.4 | ||
| 11 | F | 54.4 | Low | 48.5 | Very low | 218 Ų | 218 | 135.4 Ų | 135.4 | 96% | 0.956 | 86% | 0.863 | S | S | * | * | S | Bend | trans | -114.4 | 1.7 | 177 | -102.6 | -85.1 | 0 | 0 | 0 | 115.1 | ||
| 12 | G | 46.2 | Very low | 49.1 | Very low | 70 Ų | 70 | 132 Ų | 132 | 72% | 0.722 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -104.8 | 9.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 13 | K | 50.1 | Low | 50.1 | Low | 196 Ų | 196 | 136.7 Ų | 136.7 | 85% | 0.852 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -133.1 | 23 | -162.8 | -116.7 | 175.4 | -177.5 | 174.2 | 0 | 117.5 | ||
| 14 | I | 53.2 | Low | 51.4 | Low | 173 Ų | 173 | 132.7 Ų | 132.7 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -106.7 | -2.8 | 168.7 | -63.2 | 178.3 | 0 | 0 | 0 | 112.4 | ||
| 15 | F | 60.1 | Low | 52.9 | Low | 212 Ų | 212 | 133.1 Ų | 133.1 | 93% | 0.93 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -119.8 | 67.5 | 174.7 | -136 | -93.9 | 0 | 0 | 0 | 110.4 | ||
| 16 | G | 50.2 | Low | 54.4 | Low | 77 Ų | 77 | 129.9 Ų | 129.9 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | -143 | 66.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 17 | G | 43.3 | Very low | 56.3 | Low | 79 Ų | 79 | 123.3 Ų | 123.3 | 81% | 0.814 | 77% | 0.765 | S | S | * | * | trans | -121.9 | 80.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | G19 | G17-G19 PolarHBondContact O-N 3.25Š| ||
| 18 | G | 52.3 | Low | 58.1 | Low | 92 Ų | 92 | 121.8 Ų | 121.8 | 95% | 0.948 | 75% | 0.754 | S | S | * | * | trans | -66.3 | 114.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 19 | G | 43.2 | Very low | 59.9 | Low | 67 Ų | 67 | 117.9 Ų | 117.9 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | trans | -149.8 | 121.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | G17 | G17-G19 PolarHBondContact O-N 3.25Š| ||
| 20 | K | 44.3 | Very low | 61.5 | Low | 209 Ų | 209 | 114.6 Ų | 114.6 | 91% | 0.909 | 71% | 0.712 | S | S | * | * | trans | 14.4 | 129 | 162.5 | -81.4 | 170.4 | 168.8 | 167 | 0 | 116.6 | G22 | K20-G22 PolarHBondContact O-N 3.49Š| ||
| 21 | G | 45.6 | Very low | 63.3 | Low | 92 Ų | 92 | 107.4 Ų | 107.4 | 95% | 0.948 | 67% | 0.674 | S | S | * | * | trans | -54.5 | 72.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 22 | G | 47.2 | Very low | 65.3 | Low | 60 Ų | 60 | 101.7 Ų | 101.7 | 62% | 0.619 | 65% | 0.651 | S | S | * | * | trans | -71.5 | 130.7 | 154.4 | 0 | 0 | 0 | 0 | 0 | 105.9 | K20 G24 | K20-G22 PolarHBondContact O-N 3.49Å; G22-G24 PolarHBondContact O-N 3.21Å | ||
| 23 | K | 62.8 | Low | 67.5 | Low | 207 Ų | 207 | 104.9 Ų | 104.9 | 90% | 0.9 | 64% | 0.644 | S | S | * | * | trans | -42.4 | 134 | 160.5 | -82.1 | 170.8 | 168.5 | 172.7 | 0 | 107.2 | ||||
| 24 | G | 68.1 | Low | 69.7 | Low | 55 Ų | 55 | 96.8 Ų | 96.8 | 57% | 0.567 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 161.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | G22 S26 | G22-G24 PolarHBondContact O-N 3.21Å; G24-S26 PolarHBondContact O-N 3.05Å |
| 25 | P | 76.6 | Confident | 71.7 | Confident | 111 Ų | 111 | 94.3 Ų | 94.3 | 72% | 0.721 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 130.4 | -177.1 | 21.2 | -32.7 | 0 | 0 | 0 | 109.8 | ||
| 26 | S | 85.8 | Confident | 73.4 | Confident | 44 Ų | 44 | 89.2 Ų | 89.2 | 31% | 0.308 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -63.3 | 154.6 | 178.5 | 61.4 | 0 | 0 | 0 | 0 | 110.1 | G24 Q28 E29 A30 | G24-S26 PolarHBondContact O-N 3.05Å; S26-Q28 PolarHBondContact O-N 3.22Å; S26-E29 PolarHBondContact N-OE2 3.24Å; S26-E29 PolarHBondContact O-N 3.27Å; S26-E29 VanDerWaalsContact O-N 3.12Å; S26-E29 WeakPolarHBondContact OG-CB 3.47Å; S26-E29 VanDerWaalsContact OG-CD 3.26Å; S26-E29 WeakPolarHBondContact OG-CG 3.4Å; S26-E29 PolarHBondContact OG-N 3.1Å; S26-E29 VanDerWaalsContact OG-N 3.17Å; S26-E29 PolarHBondContact OG-OE2 3.29Å; S26-A30 PolarHBondContact O-N 3.27Å |
| 27 | A | 85.7 | Confident | 75.5 | Confident | 31 Ų | 31 | 88 Ų | 88 | 26% | 0.256 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -54.6 | -40.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | A30 I31 N105 | A27-A30 PolarHBondContact O-N 3.45Å; A27-I31 WeakPolarHBondContact O-CB 3.46Å; A27-I31 WeakPolarHBondContact O-CD1 3.46Å; A27-I31 WeakPolarHBondContact O-CG1 3.47Å; A27-I31 PolarHBondContact O-N 3.47Å; A27-N105 HydrophobicContact CB-CB 4.38Å |
| 28 | Q | 87.5 | Confident | 78 | Confident | 106 Ų | 106 | 85 Ų | 85 | 50% | 0.495 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 176.6 | -70.3 | 76.3 | 9.3 | 0 | 0 | 112.9 | S26 A30 I31 Q32 N105 | S26-Q28 PolarHBondContact O-N 3.22Å; Q28-A30 VanDerWaalsContact C-N 3.34Å; Q28-I31 PolarHBondContact O-N 3.29Å; Q28-Q32 WeakPolarHBondContact O-CB 3.48Å; Q28-Q32 PolarHBondContact O-N 3.49Å; Q28-N105 PolarHBondContact NE2-ND2 3.42Å; Q28-N105 PolarHBondContact NE2-OD1 3.03Å |
| 29 | E | 90.6 | Very high | 80.1 | Confident | 109 Ų | 109 | 85.8 Ų | 85.8 | 51% | 0.509 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.7 | -37.3 | 176.5 | -74.9 | 164.4 | 155.8 | 0 | 0 | 112 | S26 K33 | S26-E29 PolarHBondContact N-OE2 3.24Å; S26-E29 PolarHBondContact O-N 3.27Å; S26-E29 VanDerWaalsContact O-N 3.12Å; S26-E29 WeakPolarHBondContact OG-CB 3.47Å; S26-E29 VanDerWaalsContact OG-CD 3.26Å; S26-E29 WeakPolarHBondContact OG-CG 3.4Å; S26-E29 PolarHBondContact OG-N 3.1Å; S26-E29 VanDerWaalsContact OG-N 3.17Å; S26-E29 PolarHBondContact OG-OE2 3.29Å; E29-K33 WeakPolarHBondContact O-CG 3.39Å; E29-K33 PolarHBondContact O-N 3.07Å; E29-K33 VanDerWaalsContact O-N 3.14Å |
| 30 | A | 90.4 | Very high | 82.6 | Confident | 28 Ų | 28 | 88 Ų | 88 | 23% | 0.231 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -66.4 | -47.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S26 A27 Q28 Q32 K33 L34 L101 | S26-A30 PolarHBondContact O-N 3.27Å; A27-A30 PolarHBondContact O-N 3.45Å; Q28-A30 VanDerWaalsContact C-N 3.34Å; A30-Q32 VanDerWaalsContact C-N 3.33Å; A30-Q32 PolarHBondContact O-N 3.49Å; A30-K33 PolarHBondContact O-N 3.1Å; A30-L34 WeakPolarHBondContact O-CG 3.49Å; A30-L34 PolarHBondContact O-N 3.19Å; A30-L101 HydrophobicContact CB-CD1 3.91Å |
| 31 | I | 92.5 | Very high | 85 | Confident | 19 Ų | 19 | 78.9 Ų | 78.9 | 10% | 0.097 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -57.4 | -45.8 | 175.9 | -69.3 | 160.1 | 0 | 0 | 0 | 110.7 | A27 Q28 K33 L34 R35 R98 L101 E102 | A27-I31 WeakPolarHBondContact O-CB 3.46Å; A27-I31 WeakPolarHBondContact O-CD1 3.46Å; A27-I31 WeakPolarHBondContact O-CG1 3.47Å; A27-I31 PolarHBondContact O-N 3.47Å; Q28-I31 PolarHBondContact O-N 3.29Å; I31-K33 VanDerWaalsContact C-N 3.35Å; I31-K33 PolarHBondContact O-N 3.21Å; I31-L34 PolarHBondContact O-N 3.37Å; I31-R35 WeakPolarHBondContact O-CG 3.29Å; I31-R35 PolarHBondContact O-N 2.99Å; I31-R98 HydrophobicContact CG2-CG 4.23Å; I31-L101 HydrophobicContact CD1-CB 4.24Å; I31-L101 HydrophobicContact CG1-CB 3.85Å; I31-L101 HydrophobicContact CG1-CD1 4.49Å; I31-E102 HydrophobicContact CD1-CG 3.69Å; I31-E102 HydrophobicContact CG1-CG 4.09Å; I31-E102 HydrophobicContact CG2-CG 4.26Å |
| 32 | Q | 94.6 | Very high | 87.4 | Confident | 99 Ų | 99 | 77.3 Ų | 77.3 | 46% | 0.463 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 178.8 | -177.8 | 56.9 | 48 | 0 | 0 | 112 | Q28 A30 L34 R35 E36 | Q28-Q32 WeakPolarHBondContact O-CB 3.48Å; Q28-Q32 PolarHBondContact O-N 3.49Å; A30-Q32 VanDerWaalsContact C-N 3.33Å; A30-Q32 PolarHBondContact O-N 3.49Å; Q32-L34 PolarHBondContact O-N 2.8Å; Q32-R35 PolarHBondContact O-N 3.37Å; Q32-E36 PolarHBondContact NE2-OE1 3.46Å; Q32-E36 WeakPolarHBondContact O-CG 3.44Å; Q32-E36 PolarHBondContact O-N 2.9Å |
| 33 | K | 94.3 | Very high | 89.8 | Confident | 136 Ų | 136 | 80 Ų | 80 | 59% | 0.591 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -65.3 | -36.8 | 176.6 | -77 | 174.1 | 173 | -69.1 | 0 | 113.1 | E29 A30 I31 T37 | E29-K33 WeakPolarHBondContact O-CG 3.39Å; E29-K33 PolarHBondContact O-N 3.07Å; E29-K33 VanDerWaalsContact O-N 3.14Å; A30-K33 PolarHBondContact O-N 3.1Å; I31-K33 VanDerWaalsContact C-N 3.35Å; I31-K33 PolarHBondContact O-N 3.21Å; K33-T37 WeakPolarHBondContact O-CB 3.5Å; K33-T37 PolarHBondContact O-N 3.48Å; K33-T37 PolarHBondContact O-OG1 3.33Å |
| 34 | L | 94.9 | Very high | 91.4 | Very high | 27 Ų | 27 | 75.1 Ų | 75.1 | 14% | 0.141 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.1 | -45.8 | 175.4 | -68.6 | 169.2 | 0 | 0 | 0 | 110.1 | A30 I31 Q32 E36 T37 E38 I94 Q97 R98 L101 | A30-L34 WeakPolarHBondContact O-CG 3.49Å; A30-L34 PolarHBondContact O-N 3.19Å; I31-L34 PolarHBondContact O-N 3.37Å; Q32-L34 PolarHBondContact O-N 2.8Å; L34-E36 PolarHBondContact O-N 3.16Å; L34-T37 CarbonylContact O-C 3.58Å; L34-T37 WeakPolarHBondContact O-CA 3.38Å; L34-T37 WeakPolarHBondContact O-CB 3.27Å; L34-T37 PolarHBondContact O-N 3.07Å; L34-E38 WeakPolarHBondContact O-CG 3.38Å; L34-E38 PolarHBondContact O-N 3.2Å; L34-I94 HydrophobicContact CB-CG2 4.02Å; L34-I94 HydrophobicContact CD2-CG2 3.88Å; L34-Q97 HydrophobicContact CD1-CB 4.35Å; L34-R98 HydrophobicContact CB-CB 4.3Å; L34-R98 HydrophobicContact CB-CG 4.47Å; L34-R98 HydrophobicContact CD1-CB 4.06Å; L34-L101 HydrophobicContact CD1-CD1 3.64Å |
| 35 | R | 95.5 | Very high | 92.8 | Very high | 121 Ų | 121 | 74.7 Ų | 74.7 | 46% | 0.457 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.6 | -42.9 | 175.7 | -69.4 | 176.7 | -179.9 | -137 | -1.2 | 113.3 | I31 Q32 T37 E38 E39 E102 | I31-R35 WeakPolarHBondContact O-CG 3.29Å; I31-R35 PolarHBondContact O-N 2.99Å; Q32-R35 PolarHBondContact O-N 3.37Å; R35-T37 PolarHBondContact O-N 2.75Å; R35-E38 PolarHBondContact O-N 3.37Å; R35-E39 PolarHBondContact O-N 3.19Å; R35-E102 IonicContact CZ-OE1 3.63Å; R35-E102 IonicContact NE-OE1 3.67Å; R35-E102 IonicContact NH2-OE1 2.74Å; R35-E102 PolarHBondContact NH2-OE1 3.21Å |
| 36 | E | 96.4 | Very high | 93.8 | Very high | 105 Ų | 105 | 73.7 Ų | 73.7 | 49% | 0.491 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.1 | -35.8 | 174.5 | -73.8 | 168.9 | -164.3 | 0 | 0 | 112.1 | Q32 L34 M40 | Q32-E36 PolarHBondContact NE2-OE1 3.46Å; Q32-E36 WeakPolarHBondContact O-CG 3.44Å; Q32-E36 PolarHBondContact O-N 2.9Å; L34-E36 PolarHBondContact O-N 3.16Å; E36-M40 PolarHBondContact O-N 3.07Å |
| 37 | T | 93.6 | Very high | 94.4 | Very high | 50 Ų | 50 | 77.1 Ų | 77.1 | 31% | 0.307 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -73 | -41.8 | 178.4 | -54.4 | 0 | 0 | 0 | 0 | 111.2 | K33 L34 R35 M40 L41 I94 | K33-T37 WeakPolarHBondContact O-CB 3.5Å; K33-T37 PolarHBondContact O-N 3.48Å; K33-T37 PolarHBondContact O-OG1 3.33Å; L34-T37 CarbonylContact O-C 3.58Å; L34-T37 WeakPolarHBondContact O-CA 3.38Å; L34-T37 WeakPolarHBondContact O-CB 3.27Å; L34-T37 PolarHBondContact O-N 3.07Å; R35-T37 PolarHBondContact O-N 2.75Å; T37-M40 HydrophobicContact CG2-CE 4.42Å; T37-M40 PolarHBondContact O-N 3.42Å; T37-L41 HydrophobicContact CG2-CD1 4.12Å; T37-L41 HydrophobicContact CG2-CG 4.42Å; T37-L41 WeakPolarHBondContact O-CB 3.43Å; T37-L41 WeakPolarHBondContact O-CG 3.47Å; T37-L41 PolarHBondContact O-N 2.86Å; T37-I94 HydrophobicContact CG2-CD1 3.72Å |
| 38 | E | 95.8 | Very high | 94.9 | Very high | 16 Ų | 16 | 75.8 Ų | 75.8 | 8% | 0.075 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -55 | -53.4 | 171.8 | -73.1 | 167.1 | 170.5 | 0 | 0 | 110.4 | L34 R35 M40 L41 T42 L91 I94 E95 R98 | L34-E38 WeakPolarHBondContact O-CG 3.38Å; L34-E38 PolarHBondContact O-N 3.2Å; R35-E38 PolarHBondContact O-N 3.37Å; E38-M40 PolarHBondContact O-N 2.98Å; E38-L41 CarbonylContact O-C 3.59Å; E38-L41 PolarHBondContact O-N 3.1Å; E38-T42 PolarHBondContact O-N 3.2Å; E38-T42 PolarHBondContact O-OG1 3.1Å; E38-L91 HydrophobicContact CB-CD2 4.17Å; E38-L91 HydrophobicContact CG-CD2 4.2Å; E38-I94 HydrophobicContact CG-CB 4.4Å; E38-I94 HydrophobicContact CG-CG2 3.51Å; E38-E95 WeakPolarHBondContact OE1-CA 3.45Å; E38-E95 WeakPolarHBondContact OE1-CG 3.35Å; E38-R98 IonicContact OE1-CZ 3.74Å; E38-R98 IonicContact OE1-NE 3.72Å; E38-R98 IonicContact OE1-NH1 3.69Å; E38-R98 PolarHBondContact OE1-NH1 2.96Å; E38-R98 IonicContact OE2-CZ 3.63Å; E38-R98 IonicContact OE2-NH1 3.32Å; E38-R98 PolarHBondContact OE2-NH1 2.92Å |
| 39 | E | 96.9 | Very high | 95.4 | Very high | 109 Ų | 109 | 74.7 Ų | 74.7 | 51% | 0.509 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.1 | -40 | -179.2 | -169 | -168.8 | 164.6 | 0 | 0 | 112.1 | R35 K43 | R35-E39 PolarHBondContact O-N 3.19Å; E39-K43 WeakPolarHBondContact O-CG 3.41Å; E39-K43 PolarHBondContact O-N 3.35Å; E39-K43 VanDerWaalsContact O-N 3.12Å; E39-K43 WeakPolarHBondContact OE1-CE 3.37Å; E39-K43 IonicContact OE1-NZ 2.62Å; E39-K43 PolarHBondContact OE1-NZ 3.36Å |
| 40 | M | 95.8 | Very high | 95.8 | Very high | 113 Ų | 113 | 75.5 Ų | 75.5 | 56% | 0.557 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -66 | -42.2 | 176.2 | -177.1 | -120.2 | -60.3 | 0 | 0 | 112.2 | E36 T37 E38 K44 | E36-M40 PolarHBondContact O-N 3.07Å; T37-M40 HydrophobicContact CG2-CE 4.42Å; T37-M40 PolarHBondContact O-N 3.42Å; E38-M40 PolarHBondContact O-N 2.98Å; M40-K44 PolarHBondContact O-N 3.24Å; M40-K44 VanDerWaalsContact O-N 3.14Å |
| 41 | L | 94.7 | Very high | 96.1 | Very high | 19 Ų | 19 | 76.9 Ų | 76.9 | 10% | 0.099 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -69.7 | -40.9 | 179 | -72.7 | 176 | 0 | 0 | 0 | 111.8 | T37 E38 K43 K44 Q45 I87 T90 L91 I94 | T37-L41 HydrophobicContact CG2-CD1 4.12Å; T37-L41 HydrophobicContact CG2-CG 4.42Å; T37-L41 WeakPolarHBondContact O-CB 3.43Å; T37-L41 WeakPolarHBondContact O-CG 3.47Å; T37-L41 PolarHBondContact O-N 2.86Å; E38-L41 CarbonylContact O-C 3.59Å; E38-L41 PolarHBondContact O-N 3.1Å; L41-K43 PolarHBondContact O-N 3.23Å; L41-K44 CarbonylContact O-C 3.56Å; L41-K44 WeakPolarHBondContact O-CA 3.24Å; L41-K44 WeakPolarHBondContact O-CB 3.45Å; L41-K44 PolarHBondContact O-N 3.39Å; L41-Q45 PolarHBondContact O-N 3.3Å; L41-I87 HydrophobicContact CB-CG2 4.15Å; L41-I87 HydrophobicContact CD2-CG2 4.3Å; L41-T90 HydrophobicContact CD1-CG2 3.91Å; L41-L91 HydrophobicContact CB-CD1 4.23Å; L41-L91 HydrophobicContact CB-CD2 3.73Å; L41-L91 HydrophobicContact CB-CG 3.84Å; L41-L91 HydrophobicContact CD1-CD2 4.25Å; L41-L91 HydrophobicContact CD1-CG 4.24Å; L41-I94 HydrophobicContact CD1-CD1 3.51Å |
| 42 | T | 96.4 | Very high | 96.4 | Very high | 59 Ų | 59 | 77 Ų | 77 | 36% | 0.362 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.1 | -46.9 | 173.9 | -53.2 | 0 | 0 | 0 | 0 | 111.3 | E38 K44 Q45 E46 | E38-T42 PolarHBondContact O-N 3.2Å; E38-T42 PolarHBondContact O-OG1 3.1Å; T42-K44 PolarHBondContact O-N 3.03Å; T42-Q45 WeakPolarHBondContact O-CB 3.43Å; T42-Q45 PolarHBondContact O-N 3.1Å; T42-Q45 VanDerWaalsContact O-N 3.15Å; T42-E46 PolarHBondContact O-N 3.38Å |
| 43 | K | 97.8 | Very high | 96.5 | Very high | 117 Ų | 117 | 76.4 Ų | 76.4 | 51% | 0.509 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.4 | -35 | 174.4 | -74.2 | 172.8 | -174 | 166.9 | 0 | 112.5 | E39 L41 F47 | E39-K43 WeakPolarHBondContact O-CG 3.41Å; E39-K43 PolarHBondContact O-N 3.35Å; E39-K43 VanDerWaalsContact O-N 3.12Å; E39-K43 WeakPolarHBondContact OE1-CE 3.37Å; E39-K43 IonicContact OE1-NZ 2.62Å; E39-K43 PolarHBondContact OE1-NZ 3.36Å; L41-K43 PolarHBondContact O-N 3.23Å; K43-F47 WeakPolarHBondContact O-CB 3.49Å; K43-F47 PolarHBondContact O-N 3.5Å |
| 44 | K | 95.1 | Very high | 96.7 | Very high | 103 Ų | 103 | 74.6 Ų | 74.6 | 45% | 0.448 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -73.4 | -37.8 | 178.1 | -170.2 | 179.1 | 174.1 | -166.9 | 0 | 111.7 | M40 L41 T42 F47 L48 I87 | M40-K44 PolarHBondContact O-N 3.24Å; M40-K44 VanDerWaalsContact O-N 3.14Å; L41-K44 CarbonylContact O-C 3.56Å; L41-K44 WeakPolarHBondContact O-CA 3.24Å; L41-K44 WeakPolarHBondContact O-CB 3.45Å; L41-K44 PolarHBondContact O-N 3.39Å; T42-K44 PolarHBondContact O-N 3.03Å; K44-F47 PolarHBondContact O-N 3.09Å; K44-L48 WeakPolarHBondContact O-CG 3.44Å; K44-L48 PolarHBondContact O-N 3.05Å; K44-I87 HydrophobicContact CB-CD1 4.15Å; K44-I87 HydrophobicContact CD-CD1 3.55Å; K44-I87 HydrophobicContact CG-CD1 3.63Å |
| 45 | Q | 97.1 | Very high | 96.7 | Very high | 47 Ų | 47 | 74.2 Ų | 74.2 | 22% | 0.22 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.5 | -55 | 171.2 | 157.6 | 167.8 | 23.2 | 0 | 0 | 110.7 | L41 T42 F47 L48 E49 L84 I87 D88 | L41-Q45 PolarHBondContact O-N 3.3Å; T42-Q45 WeakPolarHBondContact O-CB 3.43Å; T42-Q45 PolarHBondContact O-N 3.1Å; T42-Q45 VanDerWaalsContact O-N 3.15Å; Q45-F47 PolarHBondContact O-N 2.59Å; Q45-F47 VanDerWaalsContact O-N 3.16Å; Q45-L48 WeakPolarHBondContact O-CA 3.38Å; Q45-L48 WeakPolarHBondContact O-CB 3.5Å; Q45-L48 PolarHBondContact O-N 2.91Å; Q45-E49 VanDerWaalsContact CG-OE1 3.29Å; Q45-E49 WeakPolarHBondContact CG-OE1 3.43Å; Q45-E49 PolarHBondContact NE2-OE1 3.27Å; Q45-E49 WeakPolarHBondContact O-CG 3.32Å; Q45-E49 PolarHBondContact O-N 3.36Å; Q45-L84 HydrophobicContact CB-CD1 3.97Å; Q45-L84 HydrophobicContact CG-CD1 3.62Å; Q45-I87 HydrophobicContact CB-CG2 4.24Å; Q45-D88 PolarHBondContact NE2-OD1 3.23Å |
| 46 | E | 97.8 | Very high | 96.7 | Very high | 89 Ų | 89 | 70.4 Ų | 70.4 | 42% | 0.416 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -56 | -38.7 | 177.9 | -70.2 | -179.7 | -155.7 | 0 | 0 | 112.4 | T42 K50 | T42-E46 PolarHBondContact O-N 3.38Å; E46-K50 VanDerWaalsContact O-CG 3.3Å; E46-K50 WeakPolarHBondContact O-CG 3.31Å; E46-K50 PolarHBondContact O-N 3.23Å; E46-K50 VanDerWaalsContact O-N 3.07Å; E46-K50 IonicContact OE2-NZ 2.67Å |
| 47 | F | 97.9 | Very high | 96.7 | Very high | 116 Ų | 116 | 69.9 Ų | 69.9 | 51% | 0.509 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.6 | -42.8 | 176.7 | 173.4 | -97.3 | 0 | 0 | 0 | 111.9 | K43 K44 Q45 K51 | K43-F47 WeakPolarHBondContact O-CB 3.49Å; K43-F47 PolarHBondContact O-N 3.5Å; K44-F47 PolarHBondContact O-N 3.09Å; Q45-F47 PolarHBondContact O-N 2.59Å; Q45-F47 VanDerWaalsContact O-N 3.16Å; F47-K51 HydrophobicContact CD1-CG 4.38Å; F47-K51 HydrophobicContact CE1-CG 3.94Å; F47-K51 HydrophobicContact CE2-CG 4.39Å; F47-K51 HydrophobicContact CZ-CD 4.31Å; F47-K51 VanDerWaalsContact CZ-CE 3.47Å; F47-K51 HydrophobicContact CZ-CG 3.96Å; F47-K51 WeakPolarHBondContact O-CG 3.44Å; F47-K51 PolarHBondContact O-N 3.43Å |
| 48 | L | 97.4 | Very high | 96.7 | Very high | 4 Ų | 4 | 70.6 Ų | 70.6 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.7 | -40.5 | 177.9 | -72.9 | 177.3 | 0 | 0 | 0 | 111.9 | K44 Q45 K50 K51 I52 Y80 Q83 L84 I87 | K44-L48 WeakPolarHBondContact O-CG 3.44Å; K44-L48 PolarHBondContact O-N 3.05Å; Q45-L48 WeakPolarHBondContact O-CA 3.38Å; Q45-L48 WeakPolarHBondContact O-CB 3.5Å; Q45-L48 PolarHBondContact O-N 2.91Å; L48-K50 PolarHBondContact O-N 2.93Å; L48-K51 CarbonylContact O-C 3.19Å; L48-K51 WeakPolarHBondContact O-CA 3.46Å; L48-K51 WeakPolarHBondContact O-CB 3.38Å; L48-K51 PolarHBondContact O-N 3.36Å; L48-K51 VanDerWaalsContact O-N 3.08Å; L48-I52 VanDerWaalsContact O-CG1 3.27Å; L48-I52 WeakPolarHBondContact O-CG1 3.34Å; L48-I52 PolarHBondContact O-N 3.3Å; L48-Y80 HydrophobicContact CD2-CD1 3.76Å; L48-Y80 HydrophobicContact CD2-CG 4.35Å; L48-Q83 HydrophobicContact CD1-CB 3.76Å; L48-Q83 HydrophobicContact CD2-CB 4.48Å; L48-L84 HydrophobicContact CD1-CB 4.37Å; L48-I87 HydrophobicContact CD1-CD1 3.54Å |
| 49 | E | 97.8 | Very high | 96.4 | Very high | 83 Ų | 83 | 70.3 Ų | 70.3 | 39% | 0.388 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.5 | -47.7 | 174.3 | -71.1 | 168.9 | -179.9 | 0 | 0 | 111.2 | Q45 K51 I52 E53 L84 | Q45-E49 VanDerWaalsContact CG-OE1 3.29Å; Q45-E49 WeakPolarHBondContact CG-OE1 3.43Å; Q45-E49 PolarHBondContact NE2-OE1 3.27Å; Q45-E49 WeakPolarHBondContact O-CG 3.32Å; Q45-E49 PolarHBondContact O-N 3.36Å; E49-K51 VanDerWaalsContact C-N 3.26Å; E49-K51 PolarHBondContact O-N 3.44Å; E49-I52 WeakPolarHBondContact O-CB 3.16Å; E49-I52 PolarHBondContact O-N 2.91Å; E49-I52 VanDerWaalsContact O-N 3.15Å; E49-E53 PolarHBondContact O-N 3.25Å; E49-L84 HydrophobicContact CG-CD1 4.26Å; E49-L84 HydrophobicContact CG-CD2 3.94Å |
| 50 | K | 98.5 | Very high | 96.2 | Very high | 125 Ų | 125 | 71.2 Ų | 71.2 | 54% | 0.543 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.5 | -37.8 | 173.7 | -72.7 | 167.1 | -173.7 | 158.5 | 0 | 111.9 | E46 L48 Q54 | E46-K50 VanDerWaalsContact O-CG 3.3Å; E46-K50 WeakPolarHBondContact O-CG 3.31Å; E46-K50 PolarHBondContact O-N 3.23Å; E46-K50 VanDerWaalsContact O-N 3.07Å; E46-K50 IonicContact OE2-NZ 2.67Å; L48-K50 PolarHBondContact O-N 2.93Å; K50-Q54 VanDerWaalsContact O-CG 3.22Å; K50-Q54 WeakPolarHBondContact O-CG 3.44Å; K50-Q54 PolarHBondContact O-N 2.91Å |
| 51 | K | 97.9 | Very high | 96.1 | Very high | 58 Ų | 58 | 73.6 Ų | 73.6 | 25% | 0.252 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -69.5 | -39.9 | 176.2 | -74.3 | -72.6 | 170.8 | -158.9 | 0 | 112.8 | F47 L48 E49 E53 Q54 E55 Y80 | F47-K51 HydrophobicContact CD1-CG 4.38Å; F47-K51 HydrophobicContact CE1-CG 3.94Å; F47-K51 HydrophobicContact CE2-CG 4.39Å; F47-K51 HydrophobicContact CZ-CD 4.31Å; F47-K51 VanDerWaalsContact CZ-CE 3.47Å; F47-K51 HydrophobicContact CZ-CG 3.96Å; F47-K51 WeakPolarHBondContact O-CG 3.44Å; F47-K51 PolarHBondContact O-N 3.43Å; L48-K51 CarbonylContact O-C 3.19Å; L48-K51 WeakPolarHBondContact O-CA 3.46Å; L48-K51 WeakPolarHBondContact O-CB 3.38Å; L48-K51 PolarHBondContact O-N 3.36Å; L48-K51 VanDerWaalsContact O-N 3.08Å; E49-K51 VanDerWaalsContact C-N 3.26Å; E49-K51 PolarHBondContact O-N 3.44Å; K51-E53 VanDerWaalsContact C-N 3.33Å; K51-Q54 VanDerWaalsContact NZ-OE1 3.13Å; K51-Q54 PolarHBondContact O-N 3.47Å; K51-E55 WeakPolarHBondContact O-CG 3.44Å; K51-E55 PolarHBondContact O-N 3Å; K51-Y80 HydrophobicContact CB-CD2 3.84Å; K51-Y80 HydrophobicContact CB-CE2 3.89Å; K51-Y80 HydrophobicContact CB-CG 4.25Å |
| 52 | I | 97.6 | Very high | 95.7 | Very high | 21 Ų | 21 | 74.7 Ų | 74.7 | 11% | 0.108 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.3 | -47.2 | 175.4 | -73.5 | 164.8 | 0 | 0 | 0 | 109.8 | L48 E49 E55 L56 K77 E81 L84 | L48-I52 VanDerWaalsContact O-CG1 3.27Å; L48-I52 WeakPolarHBondContact O-CG1 3.34Å; L48-I52 PolarHBondContact O-N 3.3Å; E49-I52 WeakPolarHBondContact O-CB 3.16Å; E49-I52 PolarHBondContact O-N 2.91Å; E49-I52 VanDerWaalsContact O-N 3.15Å; I52-E55 PolarHBondContact O-N 3.07Å; I52-L56 WeakPolarHBondContact O-CB 3.38Å; I52-L56 PolarHBondContact O-N 3.03Å; I52-K77 HydrophobicContact CG2-CD 4.45Å; I52-K77 HydrophobicContact CG2-CG 4.05Å; I52-E81 HydrophobicContact CD1-CG 3.93Å; I52-E81 HydrophobicContact CG1-CG 4.27Å; I52-L84 HydrophobicContact CD1-CB 4.41Å; I52-L84 HydrophobicContact CD1-CD2 3.78Å |
| 53 | E | 98 | Very high | 95 | Very high | 87 Ų | 87 | 73.9 Ų | 73.9 | 41% | 0.407 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 178.7 | -174.3 | 52.6 | -141.1 | 0 | 0 | 111.6 | E49 K51 E55 L56 Q57 | E49-E53 PolarHBondContact O-N 3.25Å; K51-E53 VanDerWaalsContact C-N 3.33Å; E53-E55 VanDerWaalsContact C-N 3.35Å; E53-E55 PolarHBondContact O-N 3.39Å; E53-L56 WeakPolarHBondContact O-CB 3.39Å; E53-L56 PolarHBondContact O-N 3.35Å; E53-L56 VanDerWaalsContact O-N 3.17Å; E53-Q57 WeakPolarHBondContact O-CG 3.46Å; E53-Q57 PolarHBondContact O-N 3.17Å; E53-Q57 WeakPolarHBondContact OE1-CG 3.49Å; E53-Q57 PolarHBondContact OE1-NE2 2.84Å |
| 54 | Q | 97.8 | Very high | 94.4 | Very high | 98 Ų | 98 | 74.9 Ų | 74.9 | 46% | 0.458 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -55.6 | -47.4 | 174.9 | -76.3 | 171.5 | 8.6 | 0 | 0 | 112.3 | K50 K51 L56 Q57 I58 | K50-Q54 VanDerWaalsContact O-CG 3.22Å; K50-Q54 WeakPolarHBondContact O-CG 3.44Å; K50-Q54 PolarHBondContact O-N 2.91Å; K51-Q54 VanDerWaalsContact NZ-OE1 3.13Å; K51-Q54 PolarHBondContact O-N 3.47Å; Q54-L56 VanDerWaalsContact C-N 3.34Å; Q54-Q57 PolarHBondContact O-N 2.95Å; Q54-I58 VanDerWaalsContact O-CG1 3.29Å; Q54-I58 WeakPolarHBondContact O-CG1 3.48Å; Q54-I58 PolarHBondContact O-N 3.15Å |
| 55 | E | 94.8 | Very high | 94.1 | Very high | 18 Ų | 18 | 78.4 Ų | 78.4 | 8% | 0.084 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68.3 | -34.2 | 179.3 | -66.9 | -61.4 | 170.9 | 0 | 0 | 112.3 | K51 I52 E53 I58 A59 A73 R76 K77 Y80 | K51-E55 WeakPolarHBondContact O-CG 3.44Å; K51-E55 PolarHBondContact O-N 3Å; I52-E55 PolarHBondContact O-N 3.07Å; E53-E55 VanDerWaalsContact C-N 3.35Å; E53-E55 PolarHBondContact O-N 3.39Å; E55-I58 PolarHBondContact O-N 3Å; E55-A59 WeakPolarHBondContact O-CB 3.27Å; E55-A59 PolarHBondContact O-N 2.8Å; E55-A73 WeakPolarHBondContact OE2-CA 3.33Å; E55-A73 WeakPolarHBondContact OE2-CB 3.49Å; E55-R76 HydrophobicContact CG-CB 4.02Å; E55-R76 IonicContact OE1-CZ 3.49Å; E55-R76 IonicContact OE1-NE 2.59Å; E55-R76 PolarHBondContact OE1-NE 2.73Å; E55-R76 IonicContact OE1-NH2 3.02Å; E55-R76 IonicContact OE2-CZ 3.08Å; E55-R76 VanDerWaalsContact OE2-CZ 3.32Å; E55-R76 IonicContact OE2-NE 2.8Å; E55-R76 PolarHBondContact OE2-NE 3.08Å; E55-R76 VanDerWaalsContact OE2-NE 3.08Å; E55-R76 IonicContact OE2-NH2 3.65Å; E55-R76 PolarHBondContact OE2-NH2 3.05Å; E55-K77 HydrophobicContact CB-CB 4Å; E55-Y80 HydrophobicContact CG-CD2 4.22Å; E55-Y80 HydrophobicContact CG-CE2 3.92Å |
| 56 | L | 95.9 | Very high | 93.7 | Very high | 42 Ų | 42 | 79.6 Ų | 79.6 | 22% | 0.22 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.2 | -45 | 173.5 | -177.5 | 59.8 | 0 | 0 | 0 | 111.2 | I52 E53 Q54 A59 K60 K77 | I52-L56 WeakPolarHBondContact O-CB 3.38Å; I52-L56 PolarHBondContact O-N 3.03Å; E53-L56 WeakPolarHBondContact O-CB 3.39Å; E53-L56 PolarHBondContact O-N 3.35Å; E53-L56 VanDerWaalsContact O-N 3.17Å; Q54-L56 VanDerWaalsContact C-N 3.34Å; L56-A59 WeakPolarHBondContact O-CB 3.39Å; L56-A59 PolarHBondContact O-N 2.94Å; L56-K60 HydrophobicContact CG-CD 4.37Å; L56-K60 WeakPolarHBondContact O-CG 3.44Å; L56-K60 PolarHBondContact O-N 3.03Å; L56-K77 HydrophobicContact CB-CD 4.16Å; L56-K77 HydrophobicContact CD1-CD 4.29Å |
| 57 | Q | 96.3 | Very high | 93.2 | Very high | 94 Ų | 94 | 83 Ų | 83 | 44% | 0.439 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 176.8 | -66.6 | -59.4 | -28.5 | 0 | 0 | 112.1 | E53 Q54 A59 K60 K61 | E53-Q57 WeakPolarHBondContact O-CG 3.46Å; E53-Q57 PolarHBondContact O-N 3.17Å; E53-Q57 WeakPolarHBondContact OE1-CG 3.49Å; E53-Q57 PolarHBondContact OE1-NE2 2.84Å; Q54-Q57 PolarHBondContact O-N 2.95Å; Q57-A59 VanDerWaalsContact C-N 3.33Å; Q57-A59 PolarHBondContact O-N 3.08Å; Q57-K60 PolarHBondContact O-N 2.99Å; Q57-K61 WeakPolarHBondContact O-CB 3.4Å; Q57-K61 PolarHBondContact O-N 3.19Å |
| 58 | I | 92.5 | Very high | 92.8 | Very high | 64 Ų | 64 | 86.9 Ų | 86.9 | 33% | 0.328 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 174.1 | -67 | 165.7 | 0 | 0 | 0 | 110.6 | Q54 E55 K61 N62 A73 | Q54-I58 VanDerWaalsContact O-CG1 3.29Å; Q54-I58 WeakPolarHBondContact O-CG1 3.48Å; Q54-I58 PolarHBondContact O-N 3.15Å; E55-I58 PolarHBondContact O-N 3Å; I58-K61 PolarHBondContact O-N 3.17Å; I58-N62 WeakPolarHBondContact O-CB 3.47Å; I58-N62 PolarHBondContact O-N 3.05Å; I58-N62 VanDerWaalsContact O-N 3.1Å; I58-N62 PolarHBondContact O-ND2 2.98Å; I58-A73 HydrophobicContact CB-CB 4.12Å; I58-A73 HydrophobicContact CG2-CB 3.77Å |
| 59 | A | 89.8 | Confident | 92.1 | Very high | 10 Ų | 10 | 88.1 Ų | 88.1 | 8% | 0.083 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62.8 | -47.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E55 L56 Q57 K61 N62 G63 A73 L74 | E55-A59 WeakPolarHBondContact O-CB 3.27Å; E55-A59 PolarHBondContact O-N 2.8Å; L56-A59 WeakPolarHBondContact O-CB 3.39Å; L56-A59 PolarHBondContact O-N 2.94Å; Q57-A59 VanDerWaalsContact C-N 3.33Å; Q57-A59 PolarHBondContact O-N 3.08Å; A59-K61 PolarHBondContact O-N 2.73Å; A59-N62 PolarHBondContact O-N 3.39Å; A59-G63 WeakPolarHBondContact O-CA 3.38Å; A59-G63 PolarHBondContact O-N 2.72Å; A59-A73 HydrophobicContact CB-CB 4.12Å; A59-L74 HydrophobicContact CB-CD2 3.79Å; A59-L74 HydrophobicContact CB-CG 3.88Å |
| 60 | K | 92.4 | Very high | 91.4 | Very high | 128 Ų | 128 | 84.6 Ų | 84.6 | 56% | 0.557 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -58 | -47.9 | 176.4 | -73 | 174.2 | 179.2 | 173.7 | 0 | 111.6 | L56 Q57 N62 G63 | L56-K60 HydrophobicContact CG-CD 4.37Å; L56-K60 WeakPolarHBondContact O-CG 3.44Å; L56-K60 PolarHBondContact O-N 3.03Å; Q57-K60 PolarHBondContact O-N 2.99Å; K60-N62 VanDerWaalsContact C-N 3.33Å; K60-N62 PolarHBondContact O-N 3.05Å; K60-G63 PolarHBondContact O-N 2.89Å |
| 61 | K | 93.6 | Very high | 90.8 | Very high | 163 Ų | 163 | 83 Ų | 83 | 71% | 0.709 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -63.7 | -34.7 | -179.4 | -174.7 | 175.8 | -179.6 | 176.3 | 0 | 113.4 | Q57 I58 A59 | Q57-K61 WeakPolarHBondContact O-CB 3.4Å; Q57-K61 PolarHBondContact O-N 3.19Å; I58-K61 PolarHBondContact O-N 3.17Å; A59-K61 PolarHBondContact O-N 2.73Å |
| 62 | N | 86.3 | Confident | 90.3 | Very high | 42 Ų | 42 | 84.8 Ų | 84.8 | 23% | 0.225 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -97.8 | -7.6 | -176 | -69.6 | -74.9 | 0 | 0 | 0 | 113.8 | I58 A59 K60 T64 K65 N66 A69 A70 | I58-N62 WeakPolarHBondContact O-CB 3.47Å; I58-N62 PolarHBondContact O-N 3.05Å; I58-N62 VanDerWaalsContact O-N 3.1Å; I58-N62 PolarHBondContact O-ND2 2.98Å; A59-N62 PolarHBondContact O-N 3.39Å; K60-N62 VanDerWaalsContact C-N 3.33Å; K60-N62 PolarHBondContact O-N 3.05Å; N62-T64 VanDerWaalsContact C-N 3.29Å; N62-T64 PolarHBondContact O-N 3.33Å; N62-K65 PolarHBondContact O-N 3.14Å; N62-N66 HydrophobicContact CB-CB 4.42Å; N62-N66 CarbonylContact O-C 3.56Å; N62-N66 WeakPolarHBondContact O-CA 3.29Å; N62-N66 PolarHBondContact O-N 3.02Å; N62-A69 HydrophobicContact CB-CB 4.21Å; N62-A70 HydrophobicContact CB-CB 4.13Å |
| 63 | G | 83.1 | Confident | 89.8 | Confident | 43 Ų | 43 | 83.8 Ų | 83.8 | 44% | 0.443 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -40 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | A59 K60 | A59-G63 WeakPolarHBondContact O-CA 3.38Å; A59-G63 PolarHBondContact O-N 2.72Å; K60-G63 PolarHBondContact O-N 2.89Å |
| 64 | T | 83.7 | Confident | 89.3 | Confident | 137 Ų | 137 | 83.2 Ų | 83.2 | 84% | 0.84 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -20.1 | -179.2 | 56.2 | 0 | 0 | 0 | 0 | 114.1 | N62 | N62-T64 VanDerWaalsContact C-N 3.29Å; N62-T64 PolarHBondContact O-N 3.33Å |
| 65 | K | 88.9 | Confident | 88.9 | Confident | 178 Ų | 178 | 84.8 Ų | 84.8 | 77% | 0.774 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | -36 | -172.5 | -60.4 | -177.6 | -177.6 | -178.4 | 0 | 113.3 | N62 | N62-K65 PolarHBondContact O-N 3.14Š|
| 66 | N | 89.7 | Confident | 88.8 | Confident | 71 Ų | 71 | 88.1 Ų | 88.1 | 38% | 0.38 | 43% | 0.428 | S | S | . | . | trans | -149.8 | 83.6 | -174.4 | -171 | -21.5 | 0 | 0 | 0 | 110.7 | N62 R68 A69 A70 | N62-N66 HydrophobicContact CB-CB 4.42Å; N62-N66 CarbonylContact O-C 3.56Å; N62-N66 WeakPolarHBondContact O-CA 3.29Å; N62-N66 PolarHBondContact O-N 3.02Å; N66-R68 PolarHBondContact O-N 3.15Å; N66-R68 PolarHBondContact OD1-N 2.91Å; N66-A69 HydrophobicContact CB-CB 4.07Å; N66-A69 PolarHBondContact O-N 3.24Å; N66-A69 VanDerWaalsContact O-N 3.1Å; N66-A69 PolarHBondContact OD1-N 3.38Å; N66-A70 PolarHBondContact O-N 3.43Å | ||
| 67 | K | 86.7 | Confident | 88.8 | Confident | 161 Ų | 161 | 88 Ų | 88 | 70% | 0.7 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -54.8 | -35.9 | -179.8 | -171.2 | 171.8 | -178 | 174.4 | 0 | 112.9 | A70 L71 | K67-A70 PolarHBondContact O-N 3.21Å; K67-L71 HydrophobicContact CG-CD1 4.26Å; K67-L71 WeakPolarHBondContact O-CB 3.4Å; K67-L71 VanDerWaalsContact O-CG 3.29Å; K67-L71 WeakPolarHBondContact O-CG 3.48Å; K67-L71 PolarHBondContact O-N 3.06Å |
| 68 | R | 89.2 | Confident | 88.5 | Confident | 197 Ų | 197 | 90.1 Ų | 90.1 | 74% | 0.743 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -66 | -44.5 | 178.5 | -170.9 | 177.4 | 72.5 | 156 | 1.4 | 111.7 | N66 L71 Q72 | N66-R68 PolarHBondContact O-N 3.15Å; N66-R68 PolarHBondContact OD1-N 2.91Å; R68-L71 PolarHBondContact O-N 3.49Å; R68-Q72 WeakPolarHBondContact O-CG 3.38Å; R68-Q72 PolarHBondContact O-N 3.08Å; R68-Q72 VanDerWaalsContact O-N 3.16Å |
| 69 | A | 83.9 | Confident | 88.4 | Confident | 30 Ų | 30 | 95.9 Ų | 95.9 | 25% | 0.248 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | N62 N66 Q72 A73 | N62-A69 HydrophobicContact CB-CB 4.21Å; N66-A69 HydrophobicContact CB-CB 4.07Å; N66-A69 PolarHBondContact O-N 3.24Å; N66-A69 VanDerWaalsContact O-N 3.1Å; N66-A69 PolarHBondContact OD1-N 3.38Å; A69-Q72 PolarHBondContact O-N 3.08Å; A69-A73 PolarHBondContact O-N 2.81Å |
| 70 | A | 82.2 | Confident | 88.6 | Confident | 9 Ų | 9 | 98.1 Ų | 98.1 | 7% | 0.074 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | N62 N66 K67 Q72 A73 L74 | N62-A70 HydrophobicContact CB-CB 4.13Å; N66-A70 PolarHBondContact O-N 3.43Å; K67-A70 PolarHBondContact O-N 3.21Å; A70-Q72 VanDerWaalsContact C-N 3.32Å; A70-Q72 PolarHBondContact O-N 2.84Å; A70-A73 PolarHBondContact O-N 2.84Å; A70-L74 WeakPolarHBondContact O-CG 3.37Å; A70-L74 PolarHBondContact O-N 2.98Å |
| 71 | L | 86.6 | Confident | 88.6 | Confident | 93 Ų | 93 | 94.2 Ų | 94.2 | 49% | 0.487 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.1 | -37.3 | 176.6 | -74.5 | 172.5 | 0 | 0 | 0 | 112.8 | K67 R68 K75 | K67-L71 HydrophobicContact CG-CD1 4.26Å; K67-L71 WeakPolarHBondContact O-CB 3.4Å; K67-L71 VanDerWaalsContact O-CG 3.29Å; K67-L71 WeakPolarHBondContact O-CG 3.48Å; K67-L71 PolarHBondContact O-N 3.06Å; R68-L71 PolarHBondContact O-N 3.49Å; L71-K75 WeakPolarHBondContact O-CG 3.29Å; L71-K75 PolarHBondContact O-N 3.15Å |
| 72 | Q | 86.9 | Confident | 88.4 | Confident | 94 Ų | 94 | 93.2 Ų | 93.2 | 44% | 0.439 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -68.4 | -38.7 | 176.2 | -69.9 | -67 | -11.5 | 0 | 0 | 112.1 | R68 A69 A70 K75 R76 | R68-Q72 WeakPolarHBondContact O-CG 3.38Å; R68-Q72 PolarHBondContact O-N 3.08Å; R68-Q72 VanDerWaalsContact O-N 3.16Å; A69-Q72 PolarHBondContact O-N 3.08Å; A70-Q72 VanDerWaalsContact C-N 3.32Å; A70-Q72 PolarHBondContact O-N 2.84Å; Q72-K75 PolarHBondContact O-N 3.02Å; Q72-R76 PolarHBondContact O-N 3.36Å; Q72-R76 VanDerWaalsContact O-N 3.09Å |
| 73 | A | 86.7 | Confident | 88.5 | Confident | 0 Ų | 0 | 95.2 Ų | 95.2 | 0% | 0 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E55 I58 A59 A69 A70 K75 R76 K77 | E55-A73 WeakPolarHBondContact OE2-CA 3.33Å; E55-A73 WeakPolarHBondContact OE2-CB 3.49Å; I58-A73 HydrophobicContact CB-CB 4.12Å; I58-A73 HydrophobicContact CG2-CB 3.77Å; A59-A73 HydrophobicContact CB-CB 4.12Å; A69-A73 PolarHBondContact O-N 2.81Å; A70-A73 PolarHBondContact O-N 2.84Å; A73-K75 VanDerWaalsContact C-N 3.31Å; A73-K75 PolarHBondContact O-N 3.28Å; A73-R76 PolarHBondContact O-N 3.39Å; A73-R76 VanDerWaalsContact O-N 3.1Å; A73-K77 PolarHBondContact O-N 3.06Å |
| 74 | L | 88.9 | Confident | 89 | Confident | 76 Ų | 76 | 94.4 Ų | 94.4 | 40% | 0.398 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.1 | -37.4 | 175.5 | -69 | 174.6 | 0 | 0 | 0 | 112.9 | A59 A70 K77 K78 | A59-L74 HydrophobicContact CB-CD2 3.79Å; A59-L74 HydrophobicContact CB-CG 3.88Å; A70-L74 WeakPolarHBondContact O-CG 3.37Å; A70-L74 PolarHBondContact O-N 2.98Å; L74-K77 WeakPolarHBondContact O-CB 3.48Å; L74-K77 PolarHBondContact O-N 3.36Å; L74-K78 PolarHBondContact O-N 3.48Å |
| 75 | K | 88.8 | Confident | 89.3 | Confident | 130 Ų | 130 | 90.8 Ų | 90.8 | 57% | 0.565 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -64.1 | -38.9 | 173.9 | -76.2 | 180 | -178.3 | -175.3 | 0 | 112.4 | L71 Q72 A73 R79 | L71-K75 WeakPolarHBondContact O-CG 3.29Å; L71-K75 PolarHBondContact O-N 3.15Å; Q72-K75 PolarHBondContact O-N 3.02Å; A73-K75 VanDerWaalsContact C-N 3.31Å; A73-K75 PolarHBondContact O-N 3.28Å; K75-R79 WeakPolarHBondContact O-CG 3.4Å; K75-R79 PolarHBondContact O-N 3.45Å |
| 76 | R | 92.3 | Very high | 89.2 | Confident | 89 Ų | 89 | 87.9 Ų | 87.9 | 34% | 0.336 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.7 | -45.9 | 174.5 | -71 | -170.4 | -61.5 | -87.5 | -5 | 111.1 | E55 Q72 A73 K78 R79 Y80 | E55-R76 HydrophobicContact CG-CB 4.02Å; E55-R76 IonicContact OE1-CZ 3.49Å; E55-R76 IonicContact OE1-NE 2.59Å; E55-R76 PolarHBondContact OE1-NE 2.73Å; E55-R76 IonicContact OE1-NH2 3.02Å; E55-R76 IonicContact OE2-CZ 3.08Å; E55-R76 VanDerWaalsContact OE2-CZ 3.32Å; E55-R76 IonicContact OE2-NE 2.8Å; E55-R76 PolarHBondContact OE2-NE 3.08Å; E55-R76 VanDerWaalsContact OE2-NE 3.08Å; E55-R76 IonicContact OE2-NH2 3.65Å; E55-R76 PolarHBondContact OE2-NH2 3.05Å; Q72-R76 PolarHBondContact O-N 3.36Å; Q72-R76 VanDerWaalsContact O-N 3.09Å; A73-R76 PolarHBondContact O-N 3.39Å; A73-R76 VanDerWaalsContact O-N 3.1Å; R76-K78 PolarHBondContact O-N 3.26Å; R76-R79 WeakPolarHBondContact O-CB 3.25Å; R76-R79 PolarHBondContact O-N 2.93Å; R76-Y80 HydrophobicContact CB-CE2 4.18Å; R76-Y80 WeakPolarHBondContact O-CD2 3.41Å; R76-Y80 PolarHBondContact O-N 3.06Å |
| 77 | K | 95.8 | Very high | 89.3 | Confident | 39 Ų | 39 | 84.9 Ų | 84.9 | 17% | 0.17 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -49.6 | -53.8 | 172.8 | -177.7 | 175.9 | -171.9 | -82.8 | 0 | 111.5 | I52 E55 L56 A73 L74 R79 Y80 E81 | I52-K77 HydrophobicContact CG2-CD 4.45Å; I52-K77 HydrophobicContact CG2-CG 4.05Å; E55-K77 HydrophobicContact CB-CB 4Å; L56-K77 HydrophobicContact CB-CD 4.16Å; L56-K77 HydrophobicContact CD1-CD 4.29Å; A73-K77 PolarHBondContact O-N 3.06Å; L74-K77 WeakPolarHBondContact O-CB 3.48Å; L74-K77 PolarHBondContact O-N 3.36Å; K77-R79 VanDerWaalsContact C-N 3.27Å; K77-R79 PolarHBondContact O-N 3.24Å; K77-Y80 PolarHBondContact O-N 2.97Å; K77-E81 IonicContact NZ-OE1 2.73Å; K77-E81 PolarHBondContact NZ-OE1 3.18Å; K77-E81 WeakPolarHBondContact O-CG 3.38Å; K77-E81 PolarHBondContact O-N 3.03Å |
| 78 | K | 89.9 | Confident | 89.4 | Confident | 138 Ų | 138 | 80.1 Ų | 80.1 | 60% | 0.6 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -59.7 | -32.6 | 178.7 | -79.9 | -78.4 | 163.5 | -147.9 | 0 | 113.7 | L74 R76 E81 K82 | L74-K78 PolarHBondContact O-N 3.48Å; R76-K78 PolarHBondContact O-N 3.26Å; K78-E81 VanDerWaalsContact CD-OE2 3.24Å; K78-E81 WeakPolarHBondContact CD-OE2 3.47Å; K78-E81 VanDerWaalsContact CE-OE2 3.27Å; K78-E81 WeakPolarHBondContact CE-OE2 3.42Å; K78-E81 IonicContact NZ-OE2 2.75Å; K78-E81 PolarHBondContact NZ-OE2 3.49Å; K78-K82 PolarHBondContact O-N 3.03Å |
| 79 | R | 91.7 | Very high | 89.4 | Confident | 186 Ų | 186 | 72.7 Ų | 72.7 | 70% | 0.702 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -70.5 | -40.8 | 174.1 | -75 | 178.4 | 179.8 | -118.3 | 0.4 | 112 | K75 R76 K77 K82 Q83 | K75-R79 WeakPolarHBondContact O-CG 3.4Å; K75-R79 PolarHBondContact O-N 3.45Å; R76-R79 WeakPolarHBondContact O-CB 3.25Å; R76-R79 PolarHBondContact O-N 2.93Å; K77-R79 VanDerWaalsContact C-N 3.27Å; K77-R79 PolarHBondContact O-N 3.24Å; R79-K82 PolarHBondContact O-N 3.46Å; R79-Q83 WeakPolarHBondContact O-CG 3.49Å; R79-Q83 PolarHBondContact O-N 3.09Å; R79-Q83 VanDerWaalsContact O-N 3.15Å |
| 80 | Y | 94.2 | Very high | 89.7 | Confident | 56 Ų | 56 | 74.5 Ų | 74.5 | 22% | 0.22 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.4 | -41.8 | 176.5 | -62.7 | -45 | 0 | 0 | 0 | 111.8 | L48 K51 E55 R76 K77 K82 Q83 L84 | L48-Y80 HydrophobicContact CD2-CD1 3.76Å; L48-Y80 HydrophobicContact CD2-CG 4.35Å; K51-Y80 HydrophobicContact CB-CD2 3.84Å; K51-Y80 HydrophobicContact CB-CE2 3.89Å; K51-Y80 HydrophobicContact CB-CG 4.25Å; E55-Y80 HydrophobicContact CG-CD2 4.22Å; E55-Y80 HydrophobicContact CG-CE2 3.92Å; R76-Y80 HydrophobicContact CB-CE2 4.18Å; R76-Y80 WeakPolarHBondContact O-CD2 3.41Å; R76-Y80 PolarHBondContact O-N 3.06Å; K77-Y80 PolarHBondContact O-N 2.97Å; Y80-K82 VanDerWaalsContact C-N 3.3Å; Y80-K82 PolarHBondContact O-N 3.03Å; Y80-Q83 WeakPolarHBondContact O-CB 3.48Å; Y80-Q83 PolarHBondContact O-N 3.35Å; Y80-L84 WeakPolarHBondContact O-CB 3.49Å; Y80-L84 PolarHBondContact O-N 3.35Å |
| 81 | E | 90.6 | Very high | 90.1 | Very high | 46 Ų | 46 | 74.6 Ų | 74.6 | 22% | 0.215 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -56 | -43.8 | 172.9 | -72.4 | 173.8 | 174.8 | 0 | 0 | 112.1 | I52 K77 K78 Q83 L84 A85 | I52-E81 HydrophobicContact CD1-CG 3.93Å; I52-E81 HydrophobicContact CG1-CG 4.27Å; K77-E81 IonicContact NZ-OE1 2.73Å; K77-E81 PolarHBondContact NZ-OE1 3.18Å; K77-E81 WeakPolarHBondContact O-CG 3.38Å; K77-E81 PolarHBondContact O-N 3.03Å; K78-E81 VanDerWaalsContact CD-OE2 3.24Å; K78-E81 WeakPolarHBondContact CD-OE2 3.47Å; K78-E81 VanDerWaalsContact CE-OE2 3.27Å; K78-E81 WeakPolarHBondContact CE-OE2 3.42Å; K78-E81 IonicContact NZ-OE2 2.75Å; K78-E81 PolarHBondContact NZ-OE2 3.49Å; E81-Q83 VanDerWaalsContact C-N 3.31Å; E81-Q83 PolarHBondContact O-N 3.48Å; E81-L84 WeakPolarHBondContact O-CB 3.45Å; E81-L84 PolarHBondContact O-N 3.24Å; E81-A85 PolarHBondContact O-N 2.95Å |
| 82 | K | 91.4 | Very high | 90.3 | Very high | 143 Ų | 143 | 73.7 Ų | 73.7 | 62% | 0.622 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.7 | -37.7 | 176.7 | -176.2 | 173.9 | 179.9 | 174.7 | 0 | 112.2 | K78 R79 Y80 Q86 | K78-K82 PolarHBondContact O-N 3.03Å; R79-K82 PolarHBondContact O-N 3.46Å; Y80-K82 VanDerWaalsContact C-N 3.3Å; Y80-K82 PolarHBondContact O-N 3.03Å; K82-Q86 VanDerWaalsContact O-CG 3.31Å; K82-Q86 WeakPolarHBondContact O-CG 3.3Å; K82-Q86 PolarHBondContact O-N 2.95Å |
| 83 | Q | 87.4 | Confident | 90.5 | Very high | 84 Ų | 84 | 72.7 Ų | 72.7 | 39% | 0.393 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -70.3 | -36.8 | 176.5 | -71.3 | 177.4 | 15.3 | 0 | 0 | 111.8 | L48 R79 Y80 E81 Q86 I87 | L48-Q83 HydrophobicContact CD1-CB 3.76Å; L48-Q83 HydrophobicContact CD2-CB 4.48Å; R79-Q83 WeakPolarHBondContact O-CG 3.49Å; R79-Q83 PolarHBondContact O-N 3.09Å; R79-Q83 VanDerWaalsContact O-N 3.15Å; Y80-Q83 WeakPolarHBondContact O-CB 3.48Å; Y80-Q83 PolarHBondContact O-N 3.35Å; E81-Q83 VanDerWaalsContact C-N 3.31Å; E81-Q83 PolarHBondContact O-N 3.48Å; Q83-Q86 PolarHBondContact O-N 3.02Å; Q83-I87 WeakPolarHBondContact O-CG1 3.46Å; Q83-I87 PolarHBondContact O-N 3Å; Q83-I87 VanDerWaalsContact O-N 3.08Å |
| 84 | L | 93.3 | Very high | 90.6 | Very high | 25 Ų | 25 | 73.5 Ų | 73.5 | 13% | 0.131 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.3 | -54.6 | 176.6 | 179.4 | 61.1 | 0 | 0 | 0 | 110.2 | Q45 L48 E49 I52 Y80 E81 Q86 I87 D88 | Q45-L84 HydrophobicContact CB-CD1 3.97Å; Q45-L84 HydrophobicContact CG-CD1 3.62Å; L48-L84 HydrophobicContact CD1-CB 4.37Å; E49-L84 HydrophobicContact CG-CD1 4.26Å; E49-L84 HydrophobicContact CG-CD2 3.94Å; I52-L84 HydrophobicContact CD1-CB 4.41Å; I52-L84 HydrophobicContact CD1-CD2 3.78Å; Y80-L84 WeakPolarHBondContact O-CB 3.49Å; Y80-L84 PolarHBondContact O-N 3.35Å; E81-L84 WeakPolarHBondContact O-CB 3.45Å; E81-L84 PolarHBondContact O-N 3.24Å; L84-Q86 PolarHBondContact O-N 3.47Å; L84-Q86 VanDerWaalsContact O-N 3.08Å; L84-I87 WeakPolarHBondContact O-CA 3.22Å; L84-I87 WeakPolarHBondContact O-CB 3.35Å; L84-I87 PolarHBondContact O-N 3.23Å; L84-D88 VanDerWaalsContact O-CG 3.23Å; L84-D88 PolarHBondContact O-N 2.85Å |
| 85 | A | 91.1 | Very high | 90.7 | Very high | 62 Ų | 62 | 74 Ų | 74 | 51% | 0.512 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57 | -32.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | E81 G89 | E81-A85 PolarHBondContact O-N 2.95Å; A85-G89 PolarHBondContact O-N 2.78Å |
| 86 | Q | 86.8 | Confident | 90.8 | Very high | 117 Ų | 117 | 73.6 Ų | 73.6 | 55% | 0.547 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -69.9 | -37.4 | 173.7 | -75.1 | 179.3 | -32.7 | 0 | 0 | 112.6 | K82 Q83 L84 T90 | K82-Q86 VanDerWaalsContact O-CG 3.31Å; K82-Q86 WeakPolarHBondContact O-CG 3.3Å; K82-Q86 PolarHBondContact O-N 2.95Å; Q83-Q86 PolarHBondContact O-N 3.02Å; L84-Q86 PolarHBondContact O-N 3.47Å; L84-Q86 VanDerWaalsContact O-N 3.08Å; Q86-T90 WeakPolarHBondContact O-CB 3.34Å; Q86-T90 PolarHBondContact O-N 2.91Å; Q86-T90 VanDerWaalsContact O-N 3.15Å; Q86-T90 PolarHBondContact O-OG1 3.16Å |
| 87 | I | 91.5 | Very high | 90.6 | Very high | 8 Ų | 8 | 74 Ų | 74 | 4% | 0.041 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68.2 | -43.8 | 176 | -71.7 | 171.1 | 0 | 0 | 0 | 109.9 | L41 K44 Q45 L48 Q83 L84 G89 T90 L91 | L41-I87 HydrophobicContact CB-CG2 4.15Å; L41-I87 HydrophobicContact CD2-CG2 4.3Å; K44-I87 HydrophobicContact CB-CD1 4.15Å; K44-I87 HydrophobicContact CD-CD1 3.55Å; K44-I87 HydrophobicContact CG-CD1 3.63Å; Q45-I87 HydrophobicContact CB-CG2 4.24Å; L48-I87 HydrophobicContact CD1-CD1 3.54Å; Q83-I87 WeakPolarHBondContact O-CG1 3.46Å; Q83-I87 PolarHBondContact O-N 3Å; Q83-I87 VanDerWaalsContact O-N 3.08Å; L84-I87 WeakPolarHBondContact O-CA 3.22Å; L84-I87 WeakPolarHBondContact O-CB 3.35Å; L84-I87 PolarHBondContact O-N 3.23Å; I87-G89 PolarHBondContact O-N 3.49Å; I87-T90 CarbonylContact O-C 3.53Å; I87-T90 WeakPolarHBondContact O-CA 3.48Å; I87-T90 WeakPolarHBondContact O-CB 3.37Å; I87-T90 PolarHBondContact O-N 3.07Å; I87-L91 HydrophobicContact CG2-CD1 3.92Å; I87-L91 HydrophobicContact CG2-CG 4.37Å; I87-L91 PolarHBondContact O-N 2.83Å |
| 88 | D | 89.1 | Confident | 90.4 | Very high | 61 Ų | 61 | 75.1 Ų | 75.1 | 33% | 0.326 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.2 | -47.5 | 179.9 | -54.7 | -24.4 | 0 | 0 | 0 | 110.9 | Q45 L84 T90 L91 S92 | Q45-D88 PolarHBondContact NE2-OD1 3.23Å; L84-D88 VanDerWaalsContact O-CG 3.23Å; L84-D88 PolarHBondContact O-N 2.85Å; D88-T90 VanDerWaalsContact C-N 3.28Å; D88-T90 PolarHBondContact O-N 2.95Å; D88-L91 PolarHBondContact O-N 3.15Å; D88-S92 PolarHBondContact O-N 3.38Å |
| 89 | G | 88.9 | Confident | 90.5 | Very high | 41 Ų | 41 | 73.6 Ų | 73.6 | 42% | 0.423 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.2 | -31.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | A85 I87 T93 | A85-G89 PolarHBondContact O-N 2.78Å; I87-G89 PolarHBondContact O-N 3.49Å; G89-T93 PolarHBondContact O-N 2.99Å; G89-T93 PolarHBondContact O-OG1 2.85Å |
| 90 | T | 88.8 | Confident | 90.3 | Very high | 68 Ų | 68 | 67 Ų | 67 | 42% | 0.417 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -72.5 | -40.3 | 175 | -54.9 | 0 | 0 | 0 | 0 | 111.4 | L41 Q86 I87 D88 T93 I94 | L41-T90 HydrophobicContact CD1-CG2 3.91Å; Q86-T90 WeakPolarHBondContact O-CB 3.34Å; Q86-T90 PolarHBondContact O-N 2.91Å; Q86-T90 VanDerWaalsContact O-N 3.15Å; Q86-T90 PolarHBondContact O-OG1 3.16Å; I87-T90 CarbonylContact O-C 3.53Å; I87-T90 WeakPolarHBondContact O-CA 3.48Å; I87-T90 WeakPolarHBondContact O-CB 3.37Å; I87-T90 PolarHBondContact O-N 3.07Å; D88-T90 VanDerWaalsContact C-N 3.28Å; D88-T90 PolarHBondContact O-N 2.95Å; T90-T93 PolarHBondContact O-N 3.18Å; T90-I94 HydrophobicContact CG2-CD1 3.97Å; T90-I94 WeakPolarHBondContact O-CG1 3.28Å; T90-I94 PolarHBondContact O-N 3.33Å |
| 91 | L | 92 | Very high | 90.1 | Very high | 11 Ų | 11 | 67 Ų | 67 | 6% | 0.058 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.8 | -52.3 | 175.8 | -88.8 | 167.2 | 0 | 0 | 0 | 110.5 | E38 L41 I87 D88 T93 I94 E95 | E38-L91 HydrophobicContact CB-CD2 4.17Å; E38-L91 HydrophobicContact CG-CD2 4.2Å; L41-L91 HydrophobicContact CB-CD1 4.23Å; L41-L91 HydrophobicContact CB-CD2 3.73Å; L41-L91 HydrophobicContact CB-CG 3.84Å; L41-L91 HydrophobicContact CD1-CD2 4.25Å; L41-L91 HydrophobicContact CD1-CG 4.24Å; I87-L91 HydrophobicContact CG2-CD1 3.92Å; I87-L91 HydrophobicContact CG2-CG 4.37Å; I87-L91 PolarHBondContact O-N 2.83Å; D88-L91 PolarHBondContact O-N 3.15Å; L91-T93 VanDerWaalsContact C-N 3.26Å; L91-T93 PolarHBondContact O-N 2.94Å; L91-I94 WeakPolarHBondContact O-CA 3.48Å; L91-I94 PolarHBondContact O-N 3.48Å; L91-E95 WeakPolarHBondContact O-CG 3.37Å; L91-E95 PolarHBondContact O-N 3Å |
| 92 | S | 89.9 | Confident | 90 | Very high | 74 Ų | 74 | 67.4 Ų | 67.4 | 52% | 0.517 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -55.5 | -40.9 | 177 | 172.7 | 0 | 0 | 0 | 0 | 112.3 | D88 I94 E95 F96 | D88-S92 PolarHBondContact O-N 3.38Å; S92-I94 PolarHBondContact O-N 3.26Å; S92-E95 PolarHBondContact O-N 3.06Å; S92-F96 WeakPolarHBondContact O-CB 3.29Å; S92-F96 PolarHBondContact O-N 3.48Å |
| 93 | T | 91 | Very high | 89.8 | Confident | 73 Ų | 73 | 64.5 Ų | 64.5 | 45% | 0.448 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 175.5 | -58.2 | 0 | 0 | 0 | 0 | 112.3 | G89 T90 L91 Q97 | G89-T93 PolarHBondContact O-N 2.99Å; G89-T93 PolarHBondContact O-OG1 2.85Å; T90-T93 PolarHBondContact O-N 3.18Å; L91-T93 VanDerWaalsContact C-N 3.26Å; L91-T93 PolarHBondContact O-N 2.94Å; T93-Q97 VanDerWaalsContact O-CG 3.25Å; T93-Q97 WeakPolarHBondContact O-CG 3.39Å; T93-Q97 PolarHBondContact O-N 3.39Å; T93-Q97 VanDerWaalsContact O-N 3.09Å |
| 94 | I | 90.3 | Very high | 89.6 | Confident | 16 Ų | 16 | 62.8 Ų | 62.8 | 8% | 0.082 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70.9 | -41.9 | -179.9 | -71.8 | 168 | 0 | 0 | 0 | 110.8 | L34 T37 E38 L41 T90 L91 S92 Q97 R98 | L34-I94 HydrophobicContact CB-CG2 4.02Å; L34-I94 HydrophobicContact CD2-CG2 3.88Å; T37-I94 HydrophobicContact CG2-CD1 3.72Å; E38-I94 HydrophobicContact CG-CB 4.4Å; E38-I94 HydrophobicContact CG-CG2 3.51Å; L41-I94 HydrophobicContact CD1-CD1 3.51Å; T90-I94 HydrophobicContact CG2-CD1 3.97Å; T90-I94 WeakPolarHBondContact O-CG1 3.28Å; T90-I94 PolarHBondContact O-N 3.33Å; L91-I94 WeakPolarHBondContact O-CA 3.48Å; L91-I94 PolarHBondContact O-N 3.48Å; S92-I94 PolarHBondContact O-N 3.26Å; I94-Q97 PolarHBondContact O-N 2.94Å; I94-R98 WeakPolarHBondContact O-CB 3.42Å; I94-R98 PolarHBondContact O-N 3Å |
| 95 | E | 90.6 | Very high | 89.2 | Confident | 87 Ų | 87 | 64 Ų | 64 | 41% | 0.407 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.5 | -47.8 | 177 | -72.8 | 169.6 | 165.4 | 0 | 0 | 110.5 | E38 L91 S92 Q97 R98 E99 | E38-E95 WeakPolarHBondContact OE1-CA 3.45Å; E38-E95 WeakPolarHBondContact OE1-CG 3.35Å; L91-E95 WeakPolarHBondContact O-CG 3.37Å; L91-E95 PolarHBondContact O-N 3Å; S92-E95 PolarHBondContact O-N 3.06Å; E95-Q97 VanDerWaalsContact C-N 3.35Å; E95-Q97 PolarHBondContact O-N 2.94Å; E95-R98 WeakPolarHBondContact O-CB 3.14Å; E95-R98 PolarHBondContact O-N 3.35Å; E95-E99 PolarHBondContact O-N 3.04Å |
| 96 | F | 89.6 | Confident | 88.8 | Confident | 122 Ų | 122 | 64.6 Ų | 64.6 | 54% | 0.535 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.5 | -44.5 | 174.6 | 178.6 | -99.5 | 0 | 0 | 0 | 112.2 | S92 R98 E99 A100 | S92-F96 WeakPolarHBondContact O-CB 3.29Å; S92-F96 PolarHBondContact O-N 3.48Å; F96-R98 PolarHBondContact O-N 3.42Å; F96-E99 PolarHBondContact O-N 3.32Å; F96-A100 WeakPolarHBondContact O-CB 3.41Å; F96-A100 PolarHBondContact O-N 2.9Å |
| 97 | Q | 88.7 | Confident | 88.6 | Confident | 96 Ų | 96 | 61.8 Ų | 61.8 | 45% | 0.449 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.5 | -38 | 177.7 | -75.2 | 175 | 5.5 | 0 | 0 | 112.6 | L34 T93 I94 E95 L101 | L34-Q97 HydrophobicContact CD1-CB 4.35Å; T93-Q97 VanDerWaalsContact O-CG 3.25Å; T93-Q97 WeakPolarHBondContact O-CG 3.39Å; T93-Q97 PolarHBondContact O-N 3.39Å; T93-Q97 VanDerWaalsContact O-N 3.09Å; I94-Q97 PolarHBondContact O-N 2.94Å; E95-Q97 VanDerWaalsContact C-N 3.35Å; E95-Q97 PolarHBondContact O-N 2.94Å; Q97-L101 WeakPolarHBondContact O-CG 3.16Å; Q97-L101 PolarHBondContact O-N 3.26Å; Q97-L101 VanDerWaalsContact O-N 3.09Å |
| 98 | R | 92.7 | Very high | 88.3 | Confident | 64 Ų | 64 | 64.9 Ų | 64.9 | 24% | 0.242 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.4 | -48.6 | 177.4 | -174.8 | -165.7 | 71.1 | -157.3 | -6.6 | 110 | I31 L34 E38 I94 E95 F96 L101 E102 | I31-R98 HydrophobicContact CG2-CG 4.23Å; L34-R98 HydrophobicContact CB-CB 4.3Å; L34-R98 HydrophobicContact CB-CG 4.47Å; L34-R98 HydrophobicContact CD1-CB 4.06Å; E38-R98 IonicContact OE1-CZ 3.74Å; E38-R98 IonicContact OE1-NE 3.72Å; E38-R98 IonicContact OE1-NH1 3.69Å; E38-R98 PolarHBondContact OE1-NH1 2.96Å; E38-R98 IonicContact OE2-CZ 3.63Å; E38-R98 IonicContact OE2-NH1 3.32Å; E38-R98 PolarHBondContact OE2-NH1 2.92Å; I94-R98 WeakPolarHBondContact O-CB 3.42Å; I94-R98 PolarHBondContact O-N 3Å; E95-R98 WeakPolarHBondContact O-CB 3.14Å; E95-R98 PolarHBondContact O-N 3.35Å; F96-R98 PolarHBondContact O-N 3.42Å; R98-L101 PolarHBondContact O-N 2.91Å; R98-E102 WeakPolarHBondContact O-CG 3.35Å; R98-E102 PolarHBondContact O-N 3.09Å |
| 99 | E | 91.2 | Very high | 88.1 | Confident | 105 Ų | 105 | 67.3 Ų | 67.3 | 49% | 0.491 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 177.8 | -171.4 | -174.8 | 163.2 | 0 | 0 | 111.6 | E95 F96 L101 E102 N103 | E95-E99 PolarHBondContact O-N 3.04Å; F96-E99 PolarHBondContact O-N 3.32Å; E99-L101 VanDerWaalsContact C-N 3.26Å; E99-L101 PolarHBondContact O-N 2.76Å; E99-E102 PolarHBondContact O-N 3.41Å; E99-E102 VanDerWaalsContact O-N 3.11Å; E99-N103 WeakPolarHBondContact O-CB 3.46Å; E99-N103 PolarHBondContact O-N 3.47Å |
| 100 | A | 88.1 | Confident | 88 | Confident | 48 Ų | 48 | 68.5 Ų | 68.5 | 40% | 0.397 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -57.6 | -39.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F96 A104 | F96-A100 WeakPolarHBondContact O-CB 3.41Å; F96-A100 PolarHBondContact O-N 2.9Å; A100-A104 VanDerWaalsContact O-CB 3.31Å; A100-A104 WeakPolarHBondContact O-CB 3.41Å; A100-A104 PolarHBondContact O-N 2.92Å |
| 101 | L | 88.9 | Confident | 87.6 | Confident | 57 Ų | 57 | 70.2 Ų | 70.2 | 30% | 0.298 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -70.5 | -39.1 | 175.6 | -77.5 | 171.2 | 0 | 0 | 0 | 112.9 | A30 I31 L34 Q97 R98 E99 A104 N105 | A30-L101 HydrophobicContact CB-CD1 3.91Å; I31-L101 HydrophobicContact CD1-CB 4.24Å; I31-L101 HydrophobicContact CG1-CB 3.85Å; I31-L101 HydrophobicContact CG1-CD1 4.49Å; L34-L101 HydrophobicContact CD1-CD1 3.64Å; Q97-L101 WeakPolarHBondContact O-CG 3.16Å; Q97-L101 PolarHBondContact O-N 3.26Å; Q97-L101 VanDerWaalsContact O-N 3.09Å; R98-L101 PolarHBondContact O-N 2.91Å; E99-L101 VanDerWaalsContact C-N 3.26Å; E99-L101 PolarHBondContact O-N 2.76Å; L101-A104 PolarHBondContact O-N 3.02Å; L101-N105 WeakPolarHBondContact O-CB 3.47Å; L101-N105 PolarHBondContact O-N 2.95Å |
| 102 | E | 88.5 | Confident | 87.2 | Confident | 54 Ų | 54 | 76.8 Ų | 76.8 | 25% | 0.252 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.3 | -46 | 175.7 | -74.8 | 176.8 | 174.9 | 0 | 0 | 110.6 | I31 R35 R98 E99 N105 T106 | I31-E102 HydrophobicContact CD1-CG 3.69Å; I31-E102 HydrophobicContact CG1-CG 4.09Å; I31-E102 HydrophobicContact CG2-CG 4.26Å; R35-E102 IonicContact CZ-OE1 3.63Å; R35-E102 IonicContact NE-OE1 3.67Å; R35-E102 IonicContact NH2-OE1 2.74Å; R35-E102 PolarHBondContact NH2-OE1 3.21Å; R98-E102 WeakPolarHBondContact O-CG 3.35Å; R98-E102 PolarHBondContact O-N 3.09Å; E99-E102 PolarHBondContact O-N 3.41Å; E99-E102 VanDerWaalsContact O-N 3.11Å; E102-N105 PolarHBondContact O-N 2.84Å; E102-T106 PolarHBondContact O-N 2.81Å; E102-T106 PolarHBondContact O-OG1 3.19Å; E102-T106 VanDerWaalsContact O-OG1 3.13Å |
| 103 | N | 88.1 | Confident | 87.1 | Confident | 82 Ų | 82 | 78 Ų | 78 | 44% | 0.439 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.3 | -45.8 | 175.2 | -71.4 | -19.5 | 0 | 0 | 0 | 111.8 | E99 N105 T106 N107 | E99-N103 WeakPolarHBondContact O-CB 3.46Å; E99-N103 PolarHBondContact O-N 3.47Å; N103-N105 VanDerWaalsContact C-N 3.3Å; N103-N105 PolarHBondContact O-N 3.49Å; N103-T106 PolarHBondContact O-N 3.2Å; N103-N107 WeakPolarHBondContact O-CB 3.39Å; N103-N107 VanDerWaalsContact O-CG 3.25Å; N103-N107 PolarHBondContact O-N 2.83Å |
| 104 | A | 82.9 | Confident | 86.3 | Confident | 48 Ų | 48 | 78.7 Ų | 78.7 | 40% | 0.397 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.8 | -37.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A100 L101 T108 | A100-A104 VanDerWaalsContact O-CB 3.31Å; A100-A104 WeakPolarHBondContact O-CB 3.41Å; A100-A104 PolarHBondContact O-N 2.92Å; L101-A104 PolarHBondContact O-N 3.02Å; A104-T108 WeakPolarHBondContact O-CB 3.49Å; A104-T108 PolarHBondContact O-N 3.23Å; A104-T108 PolarHBondContact O-OG1 3Å |
| 105 | N | 84.1 | Confident | 85.8 | Confident | 49 Ų | 49 | 79.5 Ų | 79.5 | 26% | 0.262 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.4 | -44.7 | 176.8 | -175.5 | 64.8 | 0 | 0 | 0 | 111.3 | A27 Q28 L101 E102 N103 T108 E109 | A27-N105 HydrophobicContact CB-CB 4.38Å; Q28-N105 PolarHBondContact NE2-ND2 3.42Å; Q28-N105 PolarHBondContact NE2-OD1 3.03Å; L101-N105 WeakPolarHBondContact O-CB 3.47Å; L101-N105 PolarHBondContact O-N 2.95Å; E102-N105 PolarHBondContact O-N 2.84Å; N103-N105 VanDerWaalsContact C-N 3.3Å; N103-N105 PolarHBondContact O-N 3.49Å; N105-T108 WeakPolarHBondContact O-CB 3.42Å; N105-T108 PolarHBondContact O-N 3.14Å; N105-E109 PolarHBondContact O-N 3.38Å; N105-E109 VanDerWaalsContact O-N 3.1Å |
| 106 | T | 83.9 | Confident | 85.4 | Confident | 75 Ų | 75 | 82.7 Ų | 82.7 | 46% | 0.46 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.8 | -47.4 | 174.9 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | E102 N103 T108 E109 V110 | E102-T106 PolarHBondContact O-N 2.81Å; E102-T106 PolarHBondContact O-OG1 3.19Å; E102-T106 VanDerWaalsContact O-OG1 3.13Å; N103-T106 PolarHBondContact O-N 3.2Å; T106-T108 VanDerWaalsContact C-N 3.28Å; T106-T108 PolarHBondContact O-N 2.79Å; T106-E109 WeakPolarHBondContact O-CB 3.37Å; T106-E109 PolarHBondContact O-N 2.99Å; T106-V110 WeakPolarHBondContact O-CG2 3.46Å; T106-V110 PolarHBondContact O-N 2.94Å |
| 107 | N | 83 | Confident | 85 | Confident | 58 Ų | 58 | 79 Ų | 79 | 31% | 0.31 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.9 | -39.3 | 177.8 | -71.4 | -7 | 0 | 0 | 0 | 111.9 | N103 E109 V110 L111 | N103-N107 WeakPolarHBondContact O-CB 3.39Å; N103-N107 VanDerWaalsContact O-CG 3.25Å; N103-N107 PolarHBondContact O-N 2.83Å; N107-E109 VanDerWaalsContact C-N 3.31Å; N107-E109 PolarHBondContact O-N 3.3Å; N107-V110 PolarHBondContact O-N 3.2Å; N107-L111 WeakPolarHBondContact O-CB 3.33Å; N107-L111 VanDerWaalsContact O-CG 3.31Å; N107-L111 WeakPolarHBondContact O-CG 3.48Å; N107-L111 PolarHBondContact O-N 3.12Å |
| 108 | T | 83.3 | Confident | 84.4 | Confident | 73 Ų | 73 | 77 Ų | 77 | 45% | 0.448 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63 | -38.1 | 175.2 | -59.8 | 0 | 0 | 0 | 0 | 112.1 | A104 N105 T106 K112 | A104-T108 WeakPolarHBondContact O-CB 3.49Å; A104-T108 PolarHBondContact O-N 3.23Å; A104-T108 PolarHBondContact O-OG1 3Å; N105-T108 WeakPolarHBondContact O-CB 3.42Å; N105-T108 PolarHBondContact O-N 3.14Å; T106-T108 VanDerWaalsContact C-N 3.28Å; T106-T108 PolarHBondContact O-N 2.79Å; T108-K112 PolarHBondContact O-N 3.28Å |
| 109 | E | 85 | Confident | 83.7 | Confident | 113 Ų | 113 | 81.4 Ų | 81.4 | 53% | 0.528 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -69.8 | -43.7 | 177.2 | -170.7 | 170.7 | 177.1 | 0 | 0 | 111.9 | N105 T106 N107 L111 K112 N113 | N105-E109 PolarHBondContact O-N 3.38Å; N105-E109 VanDerWaalsContact O-N 3.1Å; T106-E109 WeakPolarHBondContact O-CB 3.37Å; T106-E109 PolarHBondContact O-N 2.99Å; N107-E109 VanDerWaalsContact C-N 3.31Å; N107-E109 PolarHBondContact O-N 3.3Å; E109-L111 VanDerWaalsContact C-N 3.35Å; E109-L111 PolarHBondContact O-N 3.11Å; E109-K112 WeakPolarHBondContact O-CB 3.42Å; E109-K112 PolarHBondContact O-N 2.99Å; E109-N113 PolarHBondContact O-N 3.41Å |
| 110 | V | 87.6 | Confident | 83.2 | Confident | 66 Ų | 66 | 78.9 Ų | 78.9 | 40% | 0.4 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -55.8 | -50.1 | 173.2 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | T106 N107 K112 N113 M114 | T106-V110 WeakPolarHBondContact O-CG2 3.46Å; T106-V110 PolarHBondContact O-N 2.94Å; N107-V110 PolarHBondContact O-N 3.2Å; V110-K112 VanDerWaalsContact C-N 3.32Å; V110-K112 PolarHBondContact O-N 3.28Å; V110-N113 PolarHBondContact O-N 3.17Å; V110-N113 VanDerWaalsContact O-N 3.12Å; V110-M114 HydrophobicContact CG1-CG 4.38Å; V110-M114 HydrophobicContact CG1-SD 3.94Å; V110-M114 WeakPolarHBondContact O-CG 3.38Å; V110-M114 PolarHBondContact O-N 2.73Å |
| 111 | L | 80.1 | Confident | 82.5 | Confident | 103 Ų | 103 | 81.3 Ų | 81.3 | 54% | 0.539 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.1 | -37.1 | 178.8 | -71.4 | 174.4 | 0 | 0 | 0 | 112.8 | N107 E109 M114 G115 | N107-L111 WeakPolarHBondContact O-CB 3.33Å; N107-L111 VanDerWaalsContact O-CG 3.31Å; N107-L111 WeakPolarHBondContact O-CG 3.48Å; N107-L111 PolarHBondContact O-N 3.12Å; E109-L111 VanDerWaalsContact C-N 3.35Å; E109-L111 PolarHBondContact O-N 3.11Å; L111-M114 HydrophobicContact CD2-SD 4.44Å; L111-G115 PolarHBondContact O-N 3.29Å |
| 112 | K | 84.9 | Confident | 81.8 | Confident | 150 Ų | 150 | 86 Ų | 86 | 65% | 0.652 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63 | -44.1 | 173.3 | -85.7 | 177.8 | 179.6 | 169 | 0 | 111.9 | T108 E109 V110 G115 F116 | T108-K112 PolarHBondContact O-N 3.28Å; E109-K112 WeakPolarHBondContact O-CB 3.42Å; E109-K112 PolarHBondContact O-N 2.99Å; V110-K112 VanDerWaalsContact C-N 3.32Å; V110-K112 PolarHBondContact O-N 3.28Å; K112-G115 PolarHBondContact O-N 2.88Å; K112-F116 PolarHBondContact O-N 3.5Å |
| 113 | N | 85.9 | Confident | 81.4 | Confident | 98 Ų | 98 | 86.8 Ų | 86.8 | 52% | 0.524 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.9 | -41.7 | -179.9 | -69.4 | -12.2 | 0 | 0 | 0 | 111.1 | E109 V110 G115 F116 A117 | E109-N113 PolarHBondContact O-N 3.41Å; V110-N113 PolarHBondContact O-N 3.17Å; V110-N113 VanDerWaalsContact O-N 3.12Å; N113-G115 PolarHBondContact O-N 2.97Å; N113-F116 PolarHBondContact O-N 2.84Å; N113-A117 WeakPolarHBondContact O-CB 3.35Å; N113-A117 PolarHBondContact O-N 3.29Å |
| 114 | M | 76 | Confident | 80.8 | Confident | 89 Ų | 89 | 86.1 Ų | 86.1 | 44% | 0.438 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.6 | -45 | 171.8 | -69.5 | 176.2 | 74.6 | 0 | 0 | 111.5 | V110 L111 F116 A117 A118 A147 | V110-M114 HydrophobicContact CG1-CG 4.38Å; V110-M114 HydrophobicContact CG1-SD 3.94Å; V110-M114 WeakPolarHBondContact O-CG 3.38Å; V110-M114 PolarHBondContact O-N 2.73Å; L111-M114 HydrophobicContact CD2-SD 4.44Å; M114-F116 VanDerWaalsContact C-N 3.31Å; M114-F116 PolarHBondContact O-N 3.32Å; M114-A117 PolarHBondContact O-N 3.02Å; M114-A118 WeakPolarHBondContact O-CB 3.45Å; M114-A118 PolarHBondContact O-N 3.42Å; M114-A147 HydrophobicContact CE-CB 4.28Å |
| 115 | G | 79.1 | Confident | 80.1 | Confident | 32 Ų | 32 | 86.8 Ų | 86.8 | 33% | 0.33 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.1 | -34.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L111 K112 N113 K119 | L111-G115 PolarHBondContact O-N 3.29Å; K112-G115 PolarHBondContact O-N 2.88Å; N113-G115 PolarHBondContact O-N 2.97Å; G115-K119 VanDerWaalsContact O-CG 3.31Å; G115-K119 WeakPolarHBondContact O-CG 3.31Å; G115-K119 PolarHBondContact O-N 3.35Å |
| 116 | F | 82.4 | Confident | 79.1 | Confident | 154 Ų | 154 | 91.4 Ų | 91.4 | 68% | 0.675 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69.2 | -45.6 | 172.8 | -177.9 | -98.8 | 0 | 0 | 0 | 111.6 | K112 N113 M114 A118 K119 A120 | K112-F116 PolarHBondContact O-N 3.5Å; N113-F116 PolarHBondContact O-N 2.84Å; M114-F116 VanDerWaalsContact C-N 3.31Å; M114-F116 PolarHBondContact O-N 3.32Å; F116-A118 PolarHBondContact O-N 2.81Å; F116-K119 PolarHBondContact O-N 3.22Å; F116-A120 PolarHBondContact O-N 2.79Å |
| 117 | A | 79.8 | Confident | 77.9 | Confident | 46 Ų | 46 | 95.1 Ų | 95.1 | 38% | 0.38 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.4 | -44.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | N113 M114 K119 A120 M121 | N113-A117 WeakPolarHBondContact O-CB 3.35Å; N113-A117 PolarHBondContact O-N 3.29Å; M114-A117 PolarHBondContact O-N 3.02Å; A117-K119 VanDerWaalsContact C-N 3.34Å; A117-K119 PolarHBondContact O-N 3.06Å; A117-A120 PolarHBondContact O-N 3.48Å; A117-M121 WeakPolarHBondContact O-CB 3.28Å; A117-M121 WeakPolarHBondContact O-CG 3.41Å; A117-M121 PolarHBondContact O-N 2.96Å |
| 118 | A | 76.3 | Confident | 76.6 | Confident | 53 Ų | 53 | 96.6 Ų | 96.6 | 44% | 0.438 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.8 | -40.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | M114 F116 K122 | M114-A118 WeakPolarHBondContact O-CB 3.45Å; M114-A118 PolarHBondContact O-N 3.42Å; F116-A118 PolarHBondContact O-N 2.81Å; A118-K122 WeakPolarHBondContact O-CB 3.28Å; A118-K122 PolarHBondContact O-N 2.77Å |
| 119 | K | 78.8 | Confident | 75.3 | Confident | 157 Ų | 157 | 99.3 Ų | 99.3 | 68% | 0.683 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66 | -41.9 | 174.6 | -74 | 172 | -175.7 | 176.5 | 0 | 112.2 | G115 F116 A117 K122 S123 | G115-K119 VanDerWaalsContact O-CG 3.31Å; G115-K119 WeakPolarHBondContact O-CG 3.31Å; G115-K119 PolarHBondContact O-N 3.35Å; F116-K119 PolarHBondContact O-N 3.22Å; A117-K119 VanDerWaalsContact C-N 3.34Å; A117-K119 PolarHBondContact O-N 3.06Å; K119-K122 PolarHBondContact O-N 2.8Å; K119-S123 PolarHBondContact O-N 3.47Å |
| 120 | A | 81.3 | Confident | 73.8 | Confident | 51 Ų | 51 | 100.5 Ų | 100.5 | 42% | 0.421 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | F116 A117 S123 A124 | F116-A120 PolarHBondContact O-N 2.79Å; A117-A120 PolarHBondContact O-N 3.48Å; A120-S123 PolarHBondContact O-N 3.48Å; A120-A124 WeakPolarHBondContact O-CB 3.35Å; A120-A124 PolarHBondContact O-N 3.42Å |
| 121 | M | 72.8 | Confident | 72.5 | Confident | 99 Ų | 99 | 104.1 Ų | 104.1 | 49% | 0.488 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -58.4 | -50.6 | 172.1 | -75.4 | -161.4 | -80.8 | 0 | 0 | 110.6 | A117 S123 A124 H125 | A117-M121 WeakPolarHBondContact O-CB 3.28Å; A117-M121 WeakPolarHBondContact O-CG 3.41Å; A117-M121 PolarHBondContact O-N 2.96Å; M121-S123 VanDerWaalsContact C-N 3.31Å; M121-S123 PolarHBondContact O-N 3.27Å; M121-A124 WeakPolarHBondContact O-CB 3.49Å; M121-A124 PolarHBondContact O-N 2.66Å; M121-A124 VanDerWaalsContact O-N 3.11Å; M121-H125 PolarHBondContact O-N 2.75Å; M121-H125 PolarHBondContact O-ND1 3.47Å |
| 122 | K | 74.6 | Confident | 71.4 | Confident | 155 Ų | 155 | 105.6 Ų | 105.6 | 67% | 0.674 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -54.7 | -45.5 | 177.8 | -175.8 | 176 | 179.1 | 176.6 | 0 | 112.6 | A118 K119 H125 E126 | A118-K122 WeakPolarHBondContact O-CB 3.28Å; A118-K122 PolarHBondContact O-N 2.77Å; K119-K122 PolarHBondContact O-N 2.8Å; K122-H125 PolarHBondContact O-N 3.5Å; K122-E126 WeakPolarHBondContact O-CB 3.22Å; K122-E126 PolarHBondContact O-N 2.98Å |
| 123 | S | 79.9 | Confident | 70 | Confident | 71 Ų | 71 | 101 Ų | 101 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.4 | -33.2 | 179.5 | -169.9 | 0 | 0 | 0 | 0 | 112.9 | K119 A120 M121 H125 | K119-S123 PolarHBondContact O-N 3.47Å; A120-S123 PolarHBondContact O-N 3.48Å; M121-S123 VanDerWaalsContact C-N 3.31Å; M121-S123 PolarHBondContact O-N 3.27Å; S123-H125 VanDerWaalsContact C-N 3.34Å |
| 124 | A | 74.9 | Confident | 68.7 | Low | 68 Ų | 68 | 102.6 Ų | 102.6 | 56% | 0.562 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.8 | -34.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A120 M121 | A120-A124 WeakPolarHBondContact O-CB 3.35Å; A120-A124 PolarHBondContact O-N 3.42Å; M121-A124 WeakPolarHBondContact O-CB 3.49Å; M121-A124 PolarHBondContact O-N 2.66Å; M121-A124 VanDerWaalsContact O-N 3.11Å |
| 125 | H | 68.2 | Low | 68.1 | Low | 62 Ų | 62 | 103.8 Ų | 103.8 | 29% | 0.287 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -88.6 | -11.6 | 179.6 | -62.6 | 93.7 | 0 | 0 | 0 | 113.7 | M121 K122 S123 N127 M128 L136 | M121-H125 PolarHBondContact O-N 2.75Å; M121-H125 PolarHBondContact O-ND1 3.47Å; K122-H125 PolarHBondContact O-N 3.5Å; S123-H125 VanDerWaalsContact C-N 3.34Å; H125-N127 PolarHBondContact O-N 2.82Å; H125-N127 VanDerWaalsContact O-N 3.09Å; H125-M128 PolarHBondContact O-N 2.86Å; H125-L136 HydrophobicContact CB-CD2 4.04Å; H125-L136 WeakPolarHBondContact CD2-CD2 2.98Å |
| 126 | E | 63.9 | Low | 67 | Low | 146 Ų | 146 | 104.1 Ų | 104.1 | 68% | 0.682 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -15.4 | 178.5 | -164 | 169.3 | -161.7 | 0 | 0 | 113.3 | K122 | K122-E126 WeakPolarHBondContact O-CB 3.22Å; K122-E126 PolarHBondContact O-N 2.98Å |
| 127 | N | 58.4 | Low | 65.9 | Low | 154 Ų | 154 | 101.8 Ų | 101.8 | 82% | 0.824 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110 | 10.9 | 174.2 | -66.6 | -50.5 | 0 | 0 | 0 | 113.8 | H125 | H125-N127 PolarHBondContact O-N 2.82Å; H125-N127 VanDerWaalsContact O-N 3.09Å |
| 128 | M | 56.4 | Low | 65.6 | Low | 88 Ų | 88 | 105.4 Ų | 105.4 | 43% | 0.433 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -95.5 | 127.4 | 174.9 | -78.9 | 179 | 58.4 | 0 | 0 | 110.1 | H125 K132 | H125-M128 PolarHBondContact O-N 2.86Å; M128-K132 HydrophobicContact CE-CD 4.31Å |
| 129 | D | 54.4 | Low | 65 | Low | 130 Ų | 130 | 107 Ų | 107 | 70% | 0.695 | 56% | 0.557 | S | S | * | * | trans | -44 | 139.2 | -177.6 | -115.6 | -34.6 | 0 | 0 | 0 | 113.9 | D131 K132 | D129-D131 PolarHBondContact O-N 3.37Å; D129-K132 PolarHBondContact O-N 2.98Å | ||
| 130 | I | 55.2 | Low | 64.3 | Low | 139 Ų | 139 | 103.2 Ų | 103.2 | 71% | 0.713 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -53.1 | -29.3 | -175.8 | -93.9 | 166.1 | 0 | 0 | 0 | 113.4 | K132 V133 | I130-K132 PolarHBondContact O-N 2.88Å; I130-V133 WeakPolarHBondContact O-CB 3.48Å; I130-V133 PolarHBondContact O-N 3.29Å; I130-V133 VanDerWaalsContact O-N 3.14Å |
| 131 | D | 58.8 | Low | 63.7 | Low | 142 Ų | 142 | 104.1 Ų | 104.1 | 76% | 0.759 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -72.5 | -12.7 | -178.7 | -63.1 | -32.6 | 0 | 0 | 0 | 113.7 | D129 | D129-D131 PolarHBondContact O-N 3.37Š|
| 132 | K | 57 | Low | 63.7 | Low | 134 Ų | 134 | 104.9 Ų | 104.9 | 58% | 0.583 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -100.4 | -1.1 | 172.6 | -66.7 | -174.6 | 178.6 | -178.6 | 0 | 113.3 | M128 D129 I130 L136 | M128-K132 HydrophobicContact CE-CD 4.31Å; D129-K132 PolarHBondContact O-N 2.98Å; I130-K132 PolarHBondContact O-N 2.88Å; K132-L136 VanDerWaalsContact O-CB 3.27Å; K132-L136 WeakPolarHBondContact O-CB 3.28Å; K132-L136 PolarHBondContact O-N 3.21Å |
| 133 | V | 56.2 | Low | 62.9 | Low | 54 Ų | 54 | 103.6 Ų | 103.6 | 33% | 0.327 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -77.3 | -30.8 | -176.5 | 175.4 | 0 | 0 | 0 | 0 | 111.4 | I130 L136 M137 | I130-V133 WeakPolarHBondContact O-CB 3.48Å; I130-V133 PolarHBondContact O-N 3.29Å; I130-V133 VanDerWaalsContact O-N 3.14Å; V133-L136 PolarHBondContact O-N 2.67Å; V133-M137 HydrophobicContact CG1-CG 3.97Å; V133-M137 VanDerWaalsContact O-CB 3.24Å; V133-M137 WeakPolarHBondContact O-CB 3.4Å; V133-M137 WeakPolarHBondContact O-CG 3.24Å; V133-M137 PolarHBondContact O-N 3.26Å |
| 134 | D | 57.9 | Low | 62.3 | Low | 131 Ų | 131 | 105.9 Ų | 105.9 | 70% | 0.701 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -69.7 | -44.8 | 178.4 | -80.9 | -12.2 | 0 | 0 | 0 | 112.2 | L136 M137 Q138 | D134-L136 VanDerWaalsContact C-N 3.32Å; D134-L136 PolarHBondContact O-N 2.84Å; D134-M137 PolarHBondContact O-N 3.11Å; D134-Q138 PolarHBondContact O-N 2.92Å |
| 135 | D | 62.9 | Low | 62.2 | Low | 113 Ų | 113 | 109 Ų | 109 | 60% | 0.604 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.7 | -40.6 | 172.7 | -70.7 | -13.9 | 0 | 0 | 0 | 110.8 | Q138 D139 | D135-Q138 PolarHBondContact O-N 3.27Å; D135-D139 PolarHBondContact O-N 3.42Å |
| 136 | L | 57.1 | Low | 62.1 | Low | 39 Ų | 39 | 110.4 Ų | 110.4 | 20% | 0.204 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -69.8 | -34.3 | 177.2 | -174.2 | 70.9 | 0 | 0 | 0 | 112.7 | H125 K132 V133 D134 Q138 D139 I140 | H125-L136 HydrophobicContact CB-CD2 4.04Å; H125-L136 WeakPolarHBondContact CD2-CD2 2.98Å; K132-L136 VanDerWaalsContact O-CB 3.27Å; K132-L136 WeakPolarHBondContact O-CB 3.28Å; K132-L136 PolarHBondContact O-N 3.21Å; V133-L136 PolarHBondContact O-N 2.67Å; D134-L136 VanDerWaalsContact C-N 3.32Å; D134-L136 PolarHBondContact O-N 2.84Å; L136-Q138 VanDerWaalsContact C-N 3.29Å; L136-D139 PolarHBondContact O-N 3.01Å; L136-I140 HydrophobicContact CD1-CD1 4.48Å; L136-I140 HydrophobicContact CD2-CD1 4.21Å; L136-I140 HydrophobicContact CG-CD1 3.83Å; L136-I140 HydrophobicContact CG-CG1 4.29Å; L136-I140 VanDerWaalsContact O-CB 3.29Å; L136-I140 WeakPolarHBondContact O-CB 3.43Å; L136-I140 WeakPolarHBondContact O-CG1 3.31Å; L136-I140 PolarHBondContact O-N 3.46Å |
| 137 | M | 59.5 | Low | 61.9 | Low | 105 Ų | 105 | 105 Ų | 105 | 52% | 0.517 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.9 | -32.9 | 175.8 | -80.1 | -73.6 | -69.6 | 0 | 0 | 110.8 | V133 D134 T141 | V133-M137 HydrophobicContact CG1-CG 3.97Å; V133-M137 VanDerWaalsContact O-CB 3.24Å; V133-M137 WeakPolarHBondContact O-CB 3.4Å; V133-M137 WeakPolarHBondContact O-CG 3.24Å; V133-M137 PolarHBondContact O-N 3.26Å; D134-M137 PolarHBondContact O-N 3.11Å; M137-T141 WeakPolarHBondContact O-CB 3.42Å; M137-T141 PolarHBondContact O-N 3.01Å; M137-T141 PolarHBondContact O-OG1 3.39Å |
| 138 | Q | 72.5 | Confident | 62.6 | Low | 122 Ų | 122 | 102.6 Ų | 102.6 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.1 | -47.2 | 171 | -168.5 | 167.4 | -8 | 0 | 0 | 111.1 | D134 D135 L136 I140 T141 E142 | D134-Q138 PolarHBondContact O-N 2.92Å; D135-Q138 PolarHBondContact O-N 3.27Å; L136-Q138 VanDerWaalsContact C-N 3.29Å; Q138-I140 PolarHBondContact O-N 2.88Å; Q138-T141 PolarHBondContact O-N 3.23Å; Q138-E142 PolarHBondContact O-N 3.01Å |
| 139 | D | 63.9 | Low | 63.2 | Low | 88 Ų | 88 | 104.8 Ų | 104.8 | 47% | 0.471 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64 | -37.1 | 175.7 | -73.2 | -9 | 0 | 0 | 0 | 112.9 | D135 L136 Q143 | D135-D139 PolarHBondContact O-N 3.42Å; L136-D139 PolarHBondContact O-N 3.01Å; D139-Q143 WeakPolarHBondContact O-CB 3.38Å; D139-Q143 WeakPolarHBondContact O-CG 3.42Å; D139-Q143 PolarHBondContact O-N 2.62Å |
| 140 | I | 63.4 | Low | 63.7 | Low | 77 Ų | 77 | 102.6 Ų | 102.6 | 40% | 0.395 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.6 | -37.8 | 175.9 | -74.4 | 168.7 | 0 | 0 | 0 | 110.4 | L136 Q138 Q143 Q144 | L136-I140 HydrophobicContact CD1-CD1 4.48Å; L136-I140 HydrophobicContact CD2-CD1 4.21Å; L136-I140 HydrophobicContact CG-CD1 3.83Å; L136-I140 HydrophobicContact CG-CG1 4.29Å; L136-I140 VanDerWaalsContact O-CB 3.29Å; L136-I140 WeakPolarHBondContact O-CB 3.43Å; L136-I140 WeakPolarHBondContact O-CG1 3.31Å; L136-I140 PolarHBondContact O-N 3.46Å; Q138-I140 PolarHBondContact O-N 2.88Å; I140-Q143 PolarHBondContact O-N 3.01Å; I140-Q144 WeakPolarHBondContact O-CB 3.2Å; I140-Q144 PolarHBondContact O-N 3.12Å |
| 141 | T | 69 | Low | 64.1 | Low | 69 Ų | 69 | 97.7 Ų | 97.7 | 42% | 0.423 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.7 | -42 | 178.3 | -51.2 | 0 | 0 | 0 | 0 | 110.2 | M137 Q138 Q144 E145 | M137-T141 WeakPolarHBondContact O-CB 3.42Å; M137-T141 PolarHBondContact O-N 3.01Å; M137-T141 PolarHBondContact O-OG1 3.39Å; Q138-T141 PolarHBondContact O-N 3.23Å; T141-Q144 PolarHBondContact O-N 3.25Å; T141-E145 WeakPolarHBondContact O-CG 3.38Å; T141-E145 PolarHBondContact O-N 3.22Å |
| 142 | E | 74.6 | Confident | 64.6 | Low | 115 Ų | 115 | 95.1 Ų | 95.1 | 54% | 0.537 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 173 | -75.8 | -176.9 | -177.8 | 0 | 0 | 112.2 | Q138 L146 | Q138-E142 PolarHBondContact O-N 3.01Å; E142-L146 WeakPolarHBondContact O-CB 3.41Å; E142-L146 PolarHBondContact O-N 3.34Å |
| 143 | Q | 56.7 | Low | 64.8 | Low | 128 Ų | 128 | 91.5 Ų | 91.5 | 60% | 0.598 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -73.7 | -28.2 | 175.6 | -75.4 | -163.6 | 21.2 | 0 | 0 | 113.7 | D139 I140 A147 | D139-Q143 WeakPolarHBondContact O-CB 3.38Å; D139-Q143 WeakPolarHBondContact O-CG 3.42Å; D139-Q143 PolarHBondContact O-N 2.62Å; I140-Q143 PolarHBondContact O-N 3.01Å; Q143-A147 WeakPolarHBondContact O-CB 3.33Å; Q143-A147 PolarHBondContact O-N 3.33Å |
| 144 | Q | 66.8 | Low | 64.9 | Low | 120 Ų | 120 | 93.3 Ų | 93.3 | 56% | 0.561 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -73.1 | -37.7 | 174.5 | -170 | 173.4 | 10.7 | 0 | 0 | 110.4 | I140 T141 A147 Q148 | I140-Q144 WeakPolarHBondContact O-CB 3.2Å; I140-Q144 PolarHBondContact O-N 3.12Å; T141-Q144 PolarHBondContact O-N 3.25Å; Q144-A147 PolarHBondContact O-N 2.98Å; Q144-Q148 VanDerWaalsContact O-CB 3.28Å; Q144-Q148 WeakPolarHBondContact O-CB 3.42Å; Q144-Q148 PolarHBondContact O-N 3.49Å |
| 145 | E | 73.3 | Confident | 64.8 | Low | 133 Ų | 133 | 90.7 Ų | 90.7 | 62% | 0.621 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.7 | -44.5 | 169.2 | -77.3 | -177 | 171.2 | 0 | 0 | 111.4 | T141 A147 Q148 E149 | T141-E145 WeakPolarHBondContact O-CG 3.38Å; T141-E145 PolarHBondContact O-N 3.22Å; E145-A147 PolarHBondContact O-N 3.14Å; E145-Q148 PolarHBondContact O-N 3.05Å; E145-E149 WeakPolarHBondContact O-CB 3.47Å; E145-E149 PolarHBondContact O-N 3.3Å |
| 146 | L | 66.3 | Low | 64.4 | Low | 92 Ų | 92 | 92.2 Ų | 92.2 | 48% | 0.482 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 174.5 | -176.4 | 65.9 | 0 | 0 | 0 | 112.2 | E142 Q148 E149 I150 | E142-L146 WeakPolarHBondContact O-CB 3.41Å; E142-L146 PolarHBondContact O-N 3.34Å; L146-Q148 VanDerWaalsContact C-N 3.3Å; L146-Q148 PolarHBondContact O-N 3.27Å; L146-E149 PolarHBondContact O-N 3.18Å; L146-I150 HydrophobicContact CD1-CD1 4.36Å; L146-I150 HydrophobicContact CG-CD1 3.97Å; L146-I150 WeakPolarHBondContact O-CB 3.48Å; L146-I150 WeakPolarHBondContact O-CG1 3.42Å; L146-I150 PolarHBondContact O-N 2.84Å |
| 147 | A | 60.6 | Low | 64.1 | Low | 32 Ų | 32 | 94.6 Ų | 94.6 | 26% | 0.264 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.8 | -33.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | M114 Q143 Q144 E145 S151 | M114-A147 HydrophobicContact CE-CB 4.28Å; Q143-A147 WeakPolarHBondContact O-CB 3.33Å; Q143-A147 PolarHBondContact O-N 3.33Å; Q144-A147 PolarHBondContact O-N 2.98Å; E145-A147 PolarHBondContact O-N 3.14Å; A147-S151 WeakPolarHBondContact O-CB 3.4Å; A147-S151 PolarHBondContact O-N 2.97Å |
| 148 | Q | 71.4 | Confident | 63.8 | Low | 104 Ų | 104 | 95.7 Ų | 95.7 | 49% | 0.486 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.9 | -39.4 | 174 | -155.4 | 72.7 | 41 | 0 | 0 | 110.8 | Q144 E145 L146 S151 D152 | Q144-Q148 VanDerWaalsContact O-CB 3.28Å; Q144-Q148 WeakPolarHBondContact O-CB 3.42Å; Q144-Q148 PolarHBondContact O-N 3.49Å; E145-Q148 PolarHBondContact O-N 3.05Å; L146-Q148 VanDerWaalsContact C-N 3.3Å; L146-Q148 PolarHBondContact O-N 3.27Å; Q148-S151 PolarHBondContact O-N 3Å; Q148-D152 VanDerWaalsContact O-CB 3.29Å; Q148-D152 WeakPolarHBondContact O-CB 3.1Å; Q148-D152 VanDerWaalsContact O-CG 3.28Å; Q148-D152 PolarHBondContact O-N 3.35Å |
| 149 | E | 70.7 | Confident | 62.8 | Low | 134 Ų | 134 | 91.5 Ų | 91.5 | 63% | 0.626 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.5 | -42 | 174.5 | -171.5 | 178.4 | -171.2 | 0 | 0 | 111.7 | E145 L146 D152 A153 | E145-E149 WeakPolarHBondContact O-CB 3.47Å; E145-E149 PolarHBondContact O-N 3.3Å; L146-E149 PolarHBondContact O-N 3.18Å; E149-D152 PolarHBondContact O-N 2.63Å; E149-A153 WeakPolarHBondContact O-CB 3.22Å; E149-A153 PolarHBondContact O-N 3.41Å |
| 150 | I | 63.3 | Low | 61.9 | Low | 83 Ų | 83 | 95.9 Ų | 95.9 | 43% | 0.426 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66 | -43.9 | 173 | -68.9 | 166.5 | 0 | 0 | 0 | 110.5 | L146 D152 A153 I154 | L146-I150 HydrophobicContact CD1-CD1 4.36Å; L146-I150 HydrophobicContact CG-CD1 3.97Å; L146-I150 WeakPolarHBondContact O-CB 3.48Å; L146-I150 WeakPolarHBondContact O-CG1 3.42Å; L146-I150 PolarHBondContact O-N 2.84Å; I150-D152 VanDerWaalsContact C-N 3.32Å; I150-D152 PolarHBondContact O-N 2.92Å; I150-A153 PolarHBondContact O-N 3.33Å; I150-I154 HydrophobicContact CG2-CD1 3.56Å; I150-I154 HydrophobicContact CG2-CG1 4.31Å; I150-I154 WeakPolarHBondContact O-CB 3.47Å; I150-I154 VanDerWaalsContact O-CG1 3.24Å; I150-I154 WeakPolarHBondContact O-CG1 3.41Å; I150-I154 PolarHBondContact O-N 2.99Å |
| 151 | S | 63.6 | Low | 61.2 | Low | 36 Ų | 36 | 95.3 Ų | 95.3 | 25% | 0.252 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.9 | -42.6 | 176 | -178.5 | 0 | 0 | 0 | 0 | 110.8 | A147 Q148 I154 S155 | A147-S151 WeakPolarHBondContact O-CB 3.4Å; A147-S151 PolarHBondContact O-N 2.97Å; Q148-S151 PolarHBondContact O-N 3Å; S151-I154 PolarHBondContact O-N 3.48Å; S151-S155 WeakPolarHBondContact O-CA 3.21Å; S151-S155 WeakPolarHBondContact O-CB 3.38Å; S151-S155 PolarHBondContact O-N 3.32Å; S151-S155 PolarHBondContact O-OG 2.84Å |
| 152 | D | 69.9 | Low | 60.3 | Low | 89 Ų | 89 | 98.4 Ų | 98.4 | 48% | 0.476 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -72.2 | -32.3 | 177.5 | -76 | -5.8 | 0 | 0 | 0 | 111.7 | Q148 E149 I150 K156 | Q148-D152 VanDerWaalsContact O-CB 3.29Å; Q148-D152 WeakPolarHBondContact O-CB 3.1Å; Q148-D152 VanDerWaalsContact O-CG 3.28Å; Q148-D152 PolarHBondContact O-N 3.35Å; E149-D152 PolarHBondContact O-N 2.63Å; I150-D152 VanDerWaalsContact C-N 3.32Å; I150-D152 PolarHBondContact O-N 2.92Å; D152-K156 WeakPolarHBondContact O-CB 3.12Å; D152-K156 WeakPolarHBondContact O-CG 3.31Å; D152-K156 PolarHBondContact O-N 2.84Å |
| 153 | A | 61.3 | Low | 59.2 | Low | 58 Ų | 58 | 101.9 Ų | 101.9 | 48% | 0.479 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69.4 | -38 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E149 I150 | E149-A153 WeakPolarHBondContact O-CB 3.22Å; E149-A153 PolarHBondContact O-N 3.41Å; I150-A153 PolarHBondContact O-N 3.33Å |
| 154 | I | 57.8 | Low | 59.2 | Low | 92 Ų | 92 | 102.7 Ų | 102.7 | 47% | 0.472 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -80.6 | -33.7 | 177.1 | -65.9 | 170.6 | 0 | 0 | 0 | 111.7 | I150 S151 | I150-I154 HydrophobicContact CG2-CD1 3.56Å; I150-I154 HydrophobicContact CG2-CG1 4.31Å; I150-I154 WeakPolarHBondContact O-CB 3.47Å; I150-I154 VanDerWaalsContact O-CG1 3.24Å; I150-I154 WeakPolarHBondContact O-CG1 3.41Å; I150-I154 PolarHBondContact O-N 2.99Å; S151-I154 PolarHBondContact O-N 3.48Å |
| 155 | S | 56.3 | Low | 59.3 | Low | 75 Ų | 75 | 101.2 Ų | 101.2 | 52% | 0.524 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -87.6 | -14.9 | -178.1 | -56.2 | 0 | 0 | 0 | 0 | 113.2 | S151 P157 | S151-S155 WeakPolarHBondContact O-CA 3.21Å; S151-S155 WeakPolarHBondContact O-CB 3.38Å; S151-S155 PolarHBondContact O-N 3.32Å; S151-S155 PolarHBondContact O-OG 2.84Å; S155-P157 WeakPolarHBondContact O-CD 3.49Å; S155-P157 VanDerWaalsContact O-N 3.1Å |
| 156 | K | 55.2 | Low | 59 | Low | 145 Ų | 145 | 102.1 Ų | 102.1 | 63% | 0.63 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -56.7 | 114.3 | 157.1 | -86 | 168.9 | -173.4 | 177.7 | 0 | 105.6 | D152 V158 | D152-K156 WeakPolarHBondContact O-CB 3.12Å; D152-K156 WeakPolarHBondContact O-CG 3.31Å; D152-K156 PolarHBondContact O-N 2.84Å; K156-V158 VanDerWaalsContact C-N 3.26Å; K156-V158 PolarHBondContact O-N 2.75Å |
| 157 | P | 50.3 | Low | 59.4 | Low | 89 Ų | 89 | 103.5 Ų | 103.5 | 58% | 0.578 | 56% | 0.561 | S | S | * | * | trans | -62.2 | 99.8 | 173.6 | 25.8 | -30.7 | 0 | 0 | 0 | 106.4 | S155 G159 F160 | S155-P157 WeakPolarHBondContact O-CD 3.49Å; S155-P157 VanDerWaalsContact O-N 3.1Å; P157-G159 VanDerWaalsContact C-N 3.33Å; P157-G159 PolarHBondContact O-N 2.81Å; P157-F160 HydrophobicContact CB-CB 4.16Å; P157-F160 HydrophobicContact CG-CB 3.78Å; P157-F160 PolarHBondContact O-N 3.32Å | ||
| 158 | V | 52.2 | Low | 60.4 | Low | 128 Ų | 128 | 108.5 Ų | 108.5 | 78% | 0.776 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | 107 | 160.7 | -168.4 | 0 | 0 | 0 | 0 | 103.5 | K156 | K156-V158 VanDerWaalsContact C-N 3.26Å; K156-V158 PolarHBondContact O-N 2.75Å |
| 159 | G | 51.5 | Low | 60.9 | Low | 34 Ų | 34 | 107.6 Ų | 107.6 | 35% | 0.351 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 110.2 | 11.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | P157 G161 | P157-G159 VanDerWaalsContact C-N 3.33Å; P157-G159 PolarHBondContact O-N 2.81Å; G159-G161 PolarHBondContact O-N 3.31Å |
| 160 | F | 46.6 | Very low | 61.1 | Low | 180 Ų | 180 | 105.7 Ų | 105.7 | 79% | 0.789 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -89.3 | 21.3 | 162.8 | -141.6 | -93.6 | 0 | 0 | 0 | 113.4 | P157 | P157-F160 HydrophobicContact CB-CB 4.16Å; P157-F160 HydrophobicContact CG-CB 3.78Å; P157-F160 PolarHBondContact O-N 3.32Å |
| 161 | G | 48.4 | Very low | 62.3 | Low | 66 Ų | 66 | 104.5 Ų | 104.5 | 68% | 0.68 | 57% | 0.573 | S | S | * | * | S | Bend | trans | 172.6 | -1.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | G159 E163 | G159-G161 PolarHBondContact O-N 3.31Å; G161-E163 PolarHBondContact O-N 3.02Å |
| 162 | E | 50.7 | Low | 63.3 | Low | 133 Ų | 133 | 107.9 Ų | 107.9 | 62% | 0.621 | 59% | 0.585 | S | S | * | * | trans | -80.1 | 87.4 | 152.3 | -79.9 | -170.9 | 162.8 | 0 | 0 | 106.2 | F164 | E162-F164 VanDerWaalsContact C-N 3.26Å; E162-F164 PolarHBondContact O-N 3.44Å | ||
| 163 | E | 50.2 | Low | 63.8 | Low | 188 Ų | 188 | 107.8 Ų | 107.8 | 88% | 0.879 | 58% | 0.584 | S | S | * | * | trans | -56.7 | 102.3 | 153 | -68 | 174.9 | 172.6 | 0 | 0 | 104.6 | G161 D165 | G161-E163 PolarHBondContact O-N 3.02Å; E163-D165 PolarHBondContact O-N 3.41Å | ||
| 164 | F | 57.6 | Low | 64.9 | Low | 146 Ų | 146 | 110 Ų | 110 | 64% | 0.64 | 59% | 0.588 | S | S | * | * | trans | -52.4 | 126.9 | 165.5 | -64.7 | -80.6 | 0 | 0 | 0 | 106.4 | E162 E166 L169 | E162-F164 VanDerWaalsContact C-N 3.26Å; E162-F164 PolarHBondContact O-N 3.44Å; F164-E166 PolarHBondContact O-N 3.04Å; F164-L169 HydrophobicContact CB-CD1 3.65Å; F164-L169 HydrophobicContact CB-CG 4.23Å; F164-L169 HydrophobicContact CG-CD1 4.43Å | ||
| 165 | D | 69.1 | Low | 66.3 | Low | 88 Ų | 88 | 111.5 Ų | 111.5 | 47% | 0.471 | 59% | 0.593 | S | S | . | * | trans | -65.1 | 113.7 | -179.4 | -170.1 | -15.8 | 0 | 0 | 0 | 107.5 | E163 D167 E168 L169 | E163-D165 PolarHBondContact O-N 3.41Å; D165-D167 PolarHBondContact O-N 2.97Å; D165-D167 VanDerWaalsContact O-N 3.14Å; D165-D167 WeakPolarHBondContact OD1-CB 3.48Å; D165-D167 PolarHBondContact OD1-N 2.92Å; D165-E168 HydrophobicContact CB-CB 3.87Å; D165-E168 WeakPolarHBondContact O-CB 3.43Å; D165-E168 PolarHBondContact O-N 3.1Å; D165-L169 PolarHBondContact O-N 2.79Å | ||
| 166 | E | 65.3 | Low | 67.4 | Low | 153 Ų | 153 | 112.3 Ų | 112.3 | 72% | 0.715 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -55.9 | -30.5 | 179.4 | -68.7 | -175.8 | 176.2 | 0 | 0 | 110.6 | F164 L170 | F164-E166 PolarHBondContact O-N 3.04Å; E166-L170 WeakPolarHBondContact O-CB 3.43Å; E166-L170 WeakPolarHBondContact O-CD1 3.41Å; E166-L170 WeakPolarHBondContact O-CG 3.45Å; E166-L170 PolarHBondContact O-N 3.13Å |
| 167 | D | 75 | Confident | 68.6 | Low | 120 Ų | 120 | 110.4 Ų | 110.4 | 64% | 0.642 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -72.9 | -34.7 | 177.2 | -68.4 | -21.9 | 0 | 0 | 0 | 112.2 | D165 A171 | D165-D167 PolarHBondContact O-N 2.97Å; D165-D167 VanDerWaalsContact O-N 3.14Å; D165-D167 WeakPolarHBondContact OD1-CB 3.48Å; D165-D167 PolarHBondContact OD1-N 2.92Å; D167-A171 WeakPolarHBondContact O-CB 3.16Å; D167-A171 PolarHBondContact O-N 2.99Å |
| 168 | E | 82.1 | Confident | 70.1 | Confident | 138 Ų | 138 | 111.3 Ų | 111.3 | 65% | 0.645 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -68.8 | -44.4 | 175.3 | -175.7 | 175.6 | -174.7 | 0 | 0 | 110.7 | D165 L170 A171 E172 | D165-E168 HydrophobicContact CB-CB 3.87Å; D165-E168 WeakPolarHBondContact O-CB 3.43Å; D165-E168 PolarHBondContact O-N 3.1Å; E168-L170 PolarHBondContact O-N 3.24Å; E168-A171 PolarHBondContact O-N 3.03Å; E168-E172 PolarHBondContact O-N 2.98Å |
| 169 | L | 81.9 | Confident | 71.4 | Confident | 84 Ų | 84 | 110.7 Ų | 110.7 | 44% | 0.44 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.8 | -37.1 | 176.8 | -68.3 | 178.4 | 0 | 0 | 0 | 112.5 | F164 D165 E172 L173 | F164-L169 HydrophobicContact CB-CD1 3.65Å; F164-L169 HydrophobicContact CB-CG 4.23Å; F164-L169 HydrophobicContact CG-CD1 4.43Å; D165-L169 PolarHBondContact O-N 2.79Å; L169-E172 PolarHBondContact O-N 3.41Å; L169-L173 WeakPolarHBondContact O-CB 3.38Å; L169-L173 PolarHBondContact O-N 3.19Å |
| 170 | L | 75.8 | Confident | 72.6 | Confident | 94 Ų | 94 | 115 Ų | 115 | 49% | 0.492 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.6 | -40.6 | 173.9 | -78.1 | 168.8 | 0 | 0 | 0 | 111.5 | E166 E168 L173 D174 | E166-L170 WeakPolarHBondContact O-CB 3.43Å; E166-L170 WeakPolarHBondContact O-CD1 3.41Å; E166-L170 WeakPolarHBondContact O-CG 3.45Å; E166-L170 PolarHBondContact O-N 3.13Å; E168-L170 PolarHBondContact O-N 3.24Å; L170-L173 PolarHBondContact O-N 2.74Å; L170-D174 WeakPolarHBondContact O-CB 3.14Å; L170-D174 PolarHBondContact O-N 3.17Å |
| 171 | A | 87.9 | Confident | 74 | Confident | 59 Ų | 59 | 111.2 Ų | 111.2 | 49% | 0.488 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.2 | -41.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | D167 E168 D174 E175 | D167-A171 WeakPolarHBondContact O-CB 3.16Å; D167-A171 PolarHBondContact O-N 2.99Å; E168-A171 PolarHBondContact O-N 3.03Å; A171-D174 PolarHBondContact O-N 3.03Å; A171-E175 PolarHBondContact O-N 3.35Å |
| 172 | E | 84.1 | Confident | 75.4 | Confident | 107 Ų | 107 | 112 Ų | 112 | 50% | 0.5 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.7 | -40.4 | 175.3 | -171.9 | 178.7 | 177.3 | 0 | 0 | 111.7 | E168 L169 E175 L176 | E168-E172 PolarHBondContact O-N 2.98Å; L169-E172 PolarHBondContact O-N 3.41Å; E172-E175 PolarHBondContact O-N 3.21Å; E172-L176 WeakPolarHBondContact O-CG 3.37Å; E172-L176 PolarHBondContact O-N 3.31Å |
| 173 | L | 81.8 | Confident | 76.5 | Confident | 87 Ų | 87 | 111.9 Ų | 111.9 | 46% | 0.455 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.8 | -44.3 | 176.2 | -177.6 | 63.4 | 0 | 0 | 0 | 112 | L169 L170 E175 L176 E177 | L169-L173 WeakPolarHBondContact O-CB 3.38Å; L169-L173 PolarHBondContact O-N 3.19Å; L170-L173 PolarHBondContact O-N 2.74Å; L173-E175 VanDerWaalsContact C-N 3.29Å; L173-E175 PolarHBondContact O-N 2.61Å; L173-L176 PolarHBondContact O-N 3.07Å; L173-E177 PolarHBondContact O-N 2.85Å |
| 174 | D | 83.1 | Confident | 77.5 | Confident | 103 Ų | 103 | 106 Ų | 106 | 55% | 0.551 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.1 | -38.4 | 176.5 | -78.3 | -8.5 | 0 | 0 | 0 | 111.3 | L170 A171 Q178 | L170-D174 WeakPolarHBondContact O-CB 3.14Å; L170-D174 PolarHBondContact O-N 3.17Å; A171-D174 PolarHBondContact O-N 3.03Å; D174-Q178 WeakPolarHBondContact O-CB 3.4Å; D174-Q178 PolarHBondContact O-N 3.21Å |
| 175 | E | 88.3 | Confident | 78 | Confident | 125 Ų | 125 | 104.7 Ų | 104.7 | 58% | 0.584 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.9 | -45.4 | 175.4 | -173.3 | 168.4 | -160.4 | 0 | 0 | 111.4 | A171 E172 L173 Q178 E179 | A171-E175 PolarHBondContact O-N 3.35Å; E172-E175 PolarHBondContact O-N 3.21Å; L173-E175 VanDerWaalsContact C-N 3.29Å; L173-E175 PolarHBondContact O-N 2.61Å; E175-Q178 PolarHBondContact O-N 3.44Å; E175-E179 WeakPolarHBondContact O-CG 3.46Å; E175-E179 PolarHBondContact O-N 3.47Å |
| 176 | L | 79.2 | Confident | 77.7 | Confident | 91 Ų | 91 | 107.3 Ų | 107.3 | 48% | 0.476 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.4 | -40 | 177 | -70.6 | 172.1 | 0 | 0 | 0 | 112.9 | E172 L173 Q178 E179 E180 | E172-L176 WeakPolarHBondContact O-CG 3.37Å; E172-L176 PolarHBondContact O-N 3.31Å; L173-L176 PolarHBondContact O-N 3.07Å; L176-Q178 VanDerWaalsContact C-N 3.34Å; L176-E179 PolarHBondContact O-N 2.78Å; L176-E180 PolarHBondContact O-N 2.84Å |
| 177 | E | 80.6 | Confident | 77.4 | Confident | 105 Ų | 105 | 107 Ų | 107 | 49% | 0.491 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 174.5 | -74.6 | -168.9 | 175.9 | 0 | 0 | 111.3 | L173 E180 L181 | L173-E177 PolarHBondContact O-N 2.85Å; E177-E180 PolarHBondContact O-N 3.04Å; E177-L181 WeakPolarHBondContact O-CB 3.24Å; E177-L181 VanDerWaalsContact O-CG 3.28Å; E177-L181 WeakPolarHBondContact O-CG 3.29Å; E177-L181 PolarHBondContact O-N 3.38Å |
| 178 | Q | 81.5 | Confident | 76.6 | Confident | 108 Ų | 108 | 108 Ų | 108 | 51% | 0.505 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 177 | -168.2 | 67.8 | 46.5 | 0 | 0 | 111.5 | D174 E175 L176 E180 L181 D182 | D174-Q178 WeakPolarHBondContact O-CB 3.4Å; D174-Q178 PolarHBondContact O-N 3.21Å; E175-Q178 PolarHBondContact O-N 3.44Å; L176-Q178 VanDerWaalsContact C-N 3.34Å; Q178-E180 VanDerWaalsContact C-N 3.34Å; Q178-E180 PolarHBondContact O-N 2.87Å; Q178-L181 PolarHBondContact O-N 3.43Å; Q178-D182 PolarHBondContact NE2-OD1 3.36Å; Q178-D182 WeakPolarHBondContact O-CB 3.35Å; Q178-D182 PolarHBondContact O-N 2.95Å |
| 179 | E | 78.3 | Confident | 75.1 | Confident | 115 Ų | 115 | 104 Ų | 104 | 54% | 0.537 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 174 | -75.1 | -172.5 | 175 | 0 | 0 | 112.2 | E175 L176 K183 | E175-E179 WeakPolarHBondContact O-CG 3.46Å; E175-E179 PolarHBondContact O-N 3.47Å; L176-E179 PolarHBondContact O-N 2.78Å; E179-K183 VanDerWaalsContact O-CB 3.31Å; E179-K183 WeakPolarHBondContact O-CB 3.43Å; E179-K183 PolarHBondContact O-N 3.3Å |
| 180 | E | 77.6 | Confident | 73.5 | Confident | 124 Ų | 124 | 102.5 Ų | 102.5 | 58% | 0.579 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.3 | -41.3 | 176.8 | -171.3 | 175.8 | -169.6 | 0 | 0 | 111.6 | L176 E177 Q178 K183 N184 | L176-E180 PolarHBondContact O-N 2.84Å; E177-E180 PolarHBondContact O-N 3.04Å; Q178-E180 VanDerWaalsContact C-N 3.34Å; Q178-E180 PolarHBondContact O-N 2.87Å; E180-K183 PolarHBondContact O-N 2.92Å; E180-N184 WeakPolarHBondContact O-CB 3.34Å; E180-N184 PolarHBondContact O-N 2.92Å; E180-N184 PolarHBondContact O-ND2 3.25Å |
| 181 | L | 75.9 | Confident | 72.4 | Confident | 102 Ų | 102 | 103.5 Ų | 103.5 | 53% | 0.534 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.1 | -44.3 | 174.8 | -74.6 | 173.1 | 0 | 0 | 0 | 112.1 | E177 Q178 K183 N184 L185 | E177-L181 WeakPolarHBondContact O-CB 3.24Å; E177-L181 VanDerWaalsContact O-CG 3.28Å; E177-L181 WeakPolarHBondContact O-CG 3.29Å; E177-L181 PolarHBondContact O-N 3.38Å; Q178-L181 PolarHBondContact O-N 3.43Å; L181-K183 VanDerWaalsContact C-N 3.33Å; L181-K183 PolarHBondContact O-N 2.95Å; L181-N184 PolarHBondContact O-N 3.19Å; L181-L185 VanDerWaalsContact O-CB 3.28Å; L181-L185 WeakPolarHBondContact O-CB 3.39Å; L181-L185 PolarHBondContact O-N 3.39Å |
| 182 | D | 76.6 | Confident | 70.8 | Confident | 81 Ų | 81 | 109.4 Ų | 109.4 | 43% | 0.433 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.6 | -41.4 | 177.4 | -80.8 | 2.8 | 0 | 0 | 0 | 110.9 | Q178 L185 L186 | Q178-D182 PolarHBondContact NE2-OD1 3.36Å; Q178-D182 WeakPolarHBondContact O-CB 3.35Å; Q178-D182 PolarHBondContact O-N 2.95Å; D182-L185 PolarHBondContact O-N 2.87Å; D182-L186 WeakPolarHBondContact O-CB 3.17Å; D182-L186 WeakPolarHBondContact O-CD1 3.38Å; D182-L186 PolarHBondContact O-N 3.12Å |
| 183 | K | 75.6 | Confident | 69.4 | Low | 132 Ų | 132 | 111.3 Ų | 111.3 | 57% | 0.574 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -62.8 | -44.9 | 174 | -172.4 | -178.2 | 178 | -174.9 | 0 | 112.1 | E179 E180 L181 L185 L186 E187 | E179-K183 VanDerWaalsContact O-CB 3.31Å; E179-K183 WeakPolarHBondContact O-CB 3.43Å; E179-K183 PolarHBondContact O-N 3.3Å; E180-K183 PolarHBondContact O-N 2.92Å; L181-K183 VanDerWaalsContact C-N 3.33Å; L181-K183 PolarHBondContact O-N 2.95Å; K183-L185 VanDerWaalsContact C-N 3.31Å; K183-L185 PolarHBondContact O-N 3.44Å; K183-L186 PolarHBondContact O-N 3.35Å; K183-E187 PolarHBondContact O-N 2.74Å |
| 184 | N | 69.6 | Low | 68.2 | Low | 65 Ų | 65 | 110.6 Ų | 110.6 | 35% | 0.348 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.8 | -36 | 175.5 | -74.4 | -36.7 | 0 | 0 | 0 | 111.8 | E180 L181 E187 I188 | E180-N184 WeakPolarHBondContact O-CB 3.34Å; E180-N184 PolarHBondContact O-N 2.92Å; E180-N184 PolarHBondContact O-ND2 3.25Å; L181-N184 PolarHBondContact O-N 3.19Å; N184-E187 PolarHBondContact O-N 2.86Å; N184-I188 WeakPolarHBondContact O-CB 3.27Å; N184-I188 VanDerWaalsContact O-CG1 3.28Å; N184-I188 WeakPolarHBondContact O-CG1 3.48Å; N184-I188 PolarHBondContact O-N 3.07Å |
| 185 | L | 69.1 | Low | 67 | Low | 117 Ų | 117 | 111.7 Ų | 111.7 | 61% | 0.613 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -71.7 | -35.7 | 177.1 | -164.2 | 71 | 0 | 0 | 0 | 111.6 | L181 D182 K183 E187 I188 G189 | L181-L185 VanDerWaalsContact O-CB 3.28Å; L181-L185 WeakPolarHBondContact O-CB 3.39Å; L181-L185 PolarHBondContact O-N 3.39Å; D182-L185 PolarHBondContact O-N 2.87Å; K183-L185 VanDerWaalsContact C-N 3.31Å; K183-L185 PolarHBondContact O-N 3.44Å; L185-E187 VanDerWaalsContact C-N 3.32Å; L185-I188 PolarHBondContact O-N 3.23Å; L185-G189 WeakPolarHBondContact O-CA 3.45Å; L185-G189 PolarHBondContact O-N 3.44Å |
| 186 | L | 62.5 | Low | 65.7 | Low | 143 Ų | 143 | 113.2 Ų | 113.2 | 75% | 0.749 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -65.2 | -34.2 | 170.3 | -89 | 149.7 | 0 | 0 | 0 | 112.2 | D182 K183 | D182-L186 WeakPolarHBondContact O-CB 3.17Å; D182-L186 WeakPolarHBondContact O-CD1 3.38Å; D182-L186 PolarHBondContact O-N 3.12Å; K183-L186 PolarHBondContact O-N 3.35Å |
| 187 | E | 59.7 | Low | 65 | Low | 147 Ų | 147 | 114.3 Ų | 114.3 | 69% | 0.687 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -73.7 | -31 | 173 | -76.1 | -173.7 | 179.6 | 0 | 0 | 113 | K183 N184 L185 | K183-E187 PolarHBondContact O-N 2.74Å; N184-E187 PolarHBondContact O-N 2.86Å; L185-E187 VanDerWaalsContact C-N 3.32Å |
| 188 | I | 58.1 | Low | 64.2 | Low | 140 Ų | 140 | 117.2 Ų | 117.2 | 72% | 0.718 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -84.7 | -26.3 | 176.4 | -67.3 | 167.4 | 0 | 0 | 0 | 111.9 | N184 L185 G190 | N184-I188 WeakPolarHBondContact O-CB 3.27Å; N184-I188 VanDerWaalsContact O-CG1 3.28Å; N184-I188 WeakPolarHBondContact O-CG1 3.48Å; N184-I188 PolarHBondContact O-N 3.07Å; L185-I188 PolarHBondContact O-N 3.23Å; I188-G190 PolarHBondContact O-N 3.46Å |
| 189 | G | 49.5 | Very low | 63.1 | Low | 56 Ų | 56 | 117.8 Ų | 117.8 | 58% | 0.577 | 66% | 0.66 | S | S | * | * | trans | -90.9 | 41.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L185 | L185-G189 WeakPolarHBondContact O-CA 3.45Å; L185-G189 PolarHBondContact O-N 3.44Å | ||
| 190 | G | 49.7 | Very low | 61.9 | Low | 51 Ų | 51 | 117.7 Ų | 117.7 | 53% | 0.526 | 67% | 0.669 | S | S | . | * | trans | -60 | 149.3 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | I188 E192 | I188-G190 PolarHBondContact O-N 3.46Å; G190-E192 PolarHBondContact O-N 3.21Å | ||
| 191 | P | 51.3 | Low | 61 | Low | 116 Ų | 116 | 118 Ų | 118 | 75% | 0.753 | 69% | 0.685 | S | S | * | * | trans | -57.7 | 122.7 | -161 | 24.8 | -33.7 | 0 | 0 | 0 | 111.8 | N193 | P191-N193 PolarHBondContact O-N 3.41Š| ||
| 192 | E | 53.9 | Low | 59.6 | Low | 183 Ų | 183 | 118 Ų | 118 | 86% | 0.855 | 69% | 0.689 | S | S | * | * | trans | -50.1 | 97.8 | 169.6 | -75.9 | -175.7 | 139.2 | 0 | 0 | 110.4 | G190 A194 | G190-E192 PolarHBondContact O-N 3.21Å; E192-A194 VanDerWaalsContact C-N 3.35Å | ||
| 193 | N | 54.6 | Low | 58.6 | Low | 147 Ų | 147 | 119.9 Ų | 119.9 | 79% | 0.786 | 71% | 0.709 | S | S | * | * | trans | -106.2 | 50.4 | 150.7 | -75.5 | -83.2 | 0 | 0 | 0 | 108.3 | P191 P195 | P191-N193 PolarHBondContact O-N 3.41Å; N193-P195 WeakPolarHBondContact O-CD 3.45Å | ||
| 194 | A | 57.1 | Low | 57.3 | Low | 72 Ų | 72 | 121 Ų | 121 | 60% | 0.595 | 72% | 0.72 | S | S | * | * | trans | -72.6 | 120.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | E192 L196 | E192-A194 VanDerWaalsContact C-N 3.35Å; A194-L196 PolarHBondContact O-N 2.81Å | ||
| 195 | P | 57.8 | Low | 56.3 | Low | 125 Ų | 125 | 123.4 Ų | 123.4 | 81% | 0.812 | 74% | 0.74 | S | S | * | * | trans | -65.4 | 109.6 | 175.3 | -8.1 | 22.3 | 0 | 0 | 0 | 107.5 | N193 | N193-P195 WeakPolarHBondContact O-CD 3.45Š| ||
| 196 | L | 61.6 | Low | 55.3 | Low | 158 Ų | 158 | 123.9 Ų | 123.9 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -57 | 134.1 | 170.7 | -71.5 | 166.3 | 0 | 0 | 0 | 108.4 | A194 N198 | A194-L196 PolarHBondContact O-N 2.81Å; L196-N198 PolarHBondContact O-N 3.22Å |
| 197 | P | 63.5 | Low | 54.5 | Low | 114 Ų | 114 | 126 Ų | 126 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 127 | 178.3 | 24 | -31 | 0 | 0 | 0 | 109.7 | V199 | P197-V199 PolarHBondContact O-N 3.49Å; P197-V199 VanDerWaalsContact O-N 3.11Å |
| 198 | N | 64.8 | Low | 53.8 | Low | 166 Ų | 166 | 124.6 Ų | 124.6 | 89% | 0.888 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 116.5 | 176.7 | -104.4 | 1.9 | 0 | 0 | 0 | 110 | L196 | L196-N198 PolarHBondContact O-N 3.22Š|
| 199 | V | 57.8 | Low | 53.2 | Low | 119 Ų | 119 | 122.5 Ų | 122.5 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 142 | 169.8 | -67.5 | 0 | 0 | 0 | 0 | 109.7 | P197 S201 | P197-V199 PolarHBondContact O-N 3.49Å; P197-V199 VanDerWaalsContact O-N 3.11Å; V199-S201 PolarHBondContact O-N 3.21Å |
| 200 | P | 52.4 | Low | 52.9 | Low | 114 Ų | 114 | 128.9 Ų | 128.9 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | trans | -70.4 | 114.5 | 179.9 | -11.7 | 27 | 0 | 0 | 0 | 110.1 | T202 | P200-T202 HydrophobicContact CB-CG2 3.92Å; P200-T202 PolarHBondContact O-N 2.86Å | ||
| 201 | S | 59.6 | Low | 53 | Low | 129 Ų | 129 | 135.4 Ų | 135.4 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | trans | -73.5 | 78.7 | 165.7 | -60.2 | 0 | 0 | 0 | 0 | 109.5 | V199 | V199-S201 PolarHBondContact O-N 3.21Š| ||
| 202 | T | 47.4 | Very low | 53.1 | Low | 102 Ų | 102 | 138 Ų | 138 | 63% | 0.626 | 79% | 0.791 | S | S | * | * | trans | -107 | 120.8 | 165.3 | 98 | 0 | 0 | 0 | 0 | 107.8 | P200 L204 | P200-T202 HydrophobicContact CB-CG2 3.92Å; P200-T202 PolarHBondContact O-N 2.86Å; T202-L204 PolarHBondContact O-N 3.2Å | ||
| 203 | S | 54.3 | Low | 52.9 | Low | 121 Ų | 121 | 136 Ų | 136 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | -66 | 115.2 | 171.5 | 39.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 204 | L | 47.9 | Very low | 52.7 | Low | 155 Ų | 155 | 135.8 Ų | 135.8 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 139.3 | 175.6 | -71.9 | 167.5 | 0 | 0 | 0 | 110.3 | T202 | T202-L204 PolarHBondContact O-N 3.2Š|
| 205 | P | 49.1 | Very low | 52.6 | Low | 117 Ų | 117 | 139.7 Ų | 139.7 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 133.4 | 174.9 | 27.3 | -31.5 | 0 | 0 | 0 | 110.9 | K207 | P205-K207 PolarHBondContact O-N 2.92Š|
| 206 | S | 48.4 | Very low | 52.6 | Low | 127 Ų | 127 | 138.9 Ų | 138.9 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 124.6 | 174.6 | 176.9 | 0 | 0 | 0 | 0 | 111.5 | ||
| 207 | K | 45.5 | Very low | 52.7 | Low | 187 Ų | 187 | 136.5 Ų | 136.5 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | trans | -120.7 | 138.4 | 172 | -169.1 | 175.4 | 179.1 | 176.2 | 0 | 108.4 | P205 | P205-K207 PolarHBondContact O-N 2.92Š| ||
| 208 | P | 46 | Very low | 52.7 | Low | 117 Ų | 117 | 136.8 Ų | 136.8 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | trans | -66.9 | 147.2 | -168.9 | 26.5 | -35.7 | 0 | 0 | 0 | 113 | ||||
| 209 | A | 45.8 | Very low | 53.1 | Low | 97 Ų | 97 | 133.8 Ų | 133.8 | 80% | 0.802 | 74% | 0.737 | S | S | * | * | trans | -57.1 | 128.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 210 | K | 42.4 | Very low | 53.8 | Low | 190 Ų | 190 | 133.2 Ų | 133.2 | 83% | 0.826 | 73% | 0.73 | S | S | * | * | trans | -101.8 | 106.2 | 157 | -120.6 | -173.5 | 170.6 | -155.9 | 0 | 105.8 | ||||
| 211 | K | 51.7 | Low | 54.7 | Low | 188 Ų | 188 | 133.6 Ų | 133.6 | 82% | 0.817 | 73% | 0.725 | S | S | * | * | trans | -104.5 | 116.9 | 159.7 | -78.6 | -176.4 | 171.5 | -168.7 | 0 | 104.5 | ||||
| 212 | E | 53.1 | Low | 55.5 | Low | 169 Ų | 169 | 133 Ų | 133 | 79% | 0.79 | 71% | 0.708 | S | S | * | * | S | Bend | trans | 175 | -6.9 | 157.6 | -104 | 168.3 | -174.4 | 0 | 0 | 114.3 | ||
| 213 | E | 50.5 | Low | 57 | Low | 143 Ų | 143 | 136.3 Ų | 136.3 | 67% | 0.668 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -93.3 | -26.5 | 179.7 | -98.6 | 167.5 | 153.9 | 0 | 0 | 114.7 | ||
| 214 | D | 50.2 | Low | 58.1 | Low | 142 Ų | 142 | 139 Ų | 139 | 76% | 0.759 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -15.6 | -174.2 | -62.7 | -34.8 | 0 | 0 | 0 | 114.5 | ||
| 215 | E | 54.6 | Low | 59.3 | Low | 154 Ų | 154 | 134.6 Ų | 134.6 | 72% | 0.72 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -38 | 178.6 | -79.4 | 178.1 | 173.1 | 0 | 0 | 111.9 | M218 E219 | E215-M218 PolarHBondContact O-N 3.27Å; E215-E219 PolarHBondContact O-N 3.02Å |
| 216 | D | 57.2 | Low | 60.5 | Low | 107 Ų | 107 | 136.8 Ų | 136.8 | 57% | 0.572 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -66.8 | -41.5 | 178.8 | -87.6 | -13.1 | 0 | 0 | 0 | 111.9 | M218 E219 D220 | D216-M218 PolarHBondContact O-N 3.05Å; D216-E219 PolarHBondContact O-N 3.14Å; D216-D220 PolarHBondContact O-N 2.95Å; D216-D220 VanDerWaalsContact O-N 3.1Å |
| 217 | D | 64.4 | Low | 61.4 | Low | 109 Ų | 109 | 134.8 Ų | 134.8 | 58% | 0.583 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -65.4 | -28.5 | 179.3 | -77.8 | -9.5 | 0 | 0 | 0 | 112.3 | L221 | D217-L221 WeakPolarHBondContact O-CD1 3.5Å; D217-L221 WeakPolarHBondContact O-CG 3.31Å; D217-L221 PolarHBondContact O-N 3.09Å |
| 218 | M | 63.3 | Low | 61.6 | Low | 120 Ų | 120 | 135.6 Ų | 135.6 | 59% | 0.591 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -79.8 | -34.4 | 177.8 | -166.6 | 173 | -63.4 | 0 | 0 | 112.2 | E215 D216 Q222 | E215-M218 PolarHBondContact O-N 3.27Å; D216-M218 PolarHBondContact O-N 3.05Å; M218-Q222 WeakPolarHBondContact O-CG 3.49Å; M218-Q222 PolarHBondContact O-N 3.01Å |
| 219 | E | 73.2 | Confident | 62.4 | Low | 102 Ų | 102 | 136.6 Ų | 136.6 | 48% | 0.477 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -69.1 | -38.9 | 174.8 | -76.1 | -164.5 | 174.7 | 0 | 0 | 112.2 | E215 D216 L221 Q222 R223 | E215-E219 PolarHBondContact O-N 3.02Å; D216-E219 PolarHBondContact O-N 3.14Å; E219-L221 VanDerWaalsContact C-N 3.33Å; E219-L221 PolarHBondContact O-N 2.99Å; E219-Q222 PolarHBondContact O-N 2.69Å; E219-R223 WeakPolarHBondContact O-CG 3.46Å; E219-R223 PolarHBondContact O-N 2.95Å |
| 220 | D | 73.2 | Confident | 63.2 | Low | 108 Ų | 108 | 138.6 Ų | 138.6 | 58% | 0.578 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -66.1 | -35.2 | 178.1 | -85.9 | -9.7 | 0 | 0 | 0 | 112.3 | D216 W224 | D216-D220 PolarHBondContact O-N 2.95Å; D216-D220 VanDerWaalsContact O-N 3.1Å; D220-W224 PolarHBondContact O-N 3.38Å |
| 221 | L | 70.6 | Confident | 64.4 | Low | 122 Ų | 122 | 135.8 Ų | 135.8 | 64% | 0.639 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -69.5 | -36.5 | 174 | -78.7 | 166.1 | 0 | 0 | 0 | 112.7 | D217 E219 A225 | D217-L221 WeakPolarHBondContact O-CD1 3.5Å; D217-L221 WeakPolarHBondContact O-CG 3.31Å; D217-L221 PolarHBondContact O-N 3.09Å; E219-L221 VanDerWaalsContact C-N 3.33Å; E219-L221 PolarHBondContact O-N 2.99Å; L221-A225 PolarHBondContact O-N 3.27Å |
| 222 | Q | 77.1 | Confident | 65.1 | Low | 116 Ų | 116 | 132.7 Ų | 132.7 | 54% | 0.542 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -67.2 | -41.6 | 176 | -76.4 | 178.7 | 1.1 | 0 | 0 | 111.8 | M218 E219 W224 A225 E226 | M218-Q222 WeakPolarHBondContact O-CG 3.49Å; M218-Q222 PolarHBondContact O-N 3.01Å; E219-Q222 PolarHBondContact O-N 2.69Å; Q222-W224 VanDerWaalsContact C-N 3.32Å; Q222-W224 PolarHBondContact O-N 3.28Å; Q222-A225 PolarHBondContact O-N 3.11Å; Q222-E226 PolarHBondContact O-N 3.34Å |
| 223 | R | 79.3 | Confident | 65.9 | Low | 171 Ų | 171 | 130.4 Ų | 130.4 | 65% | 0.645 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -65.6 | -31.7 | 177.9 | -71.9 | 178 | 177.5 | -154.9 | 4.9 | 113.6 | E219 | E219-R223 WeakPolarHBondContact O-CG 3.46Å; E219-R223 PolarHBondContact O-N 2.95Å |
| 224 | W | 75.8 | Confident | 66.9 | Low | 179 Ų | 179 | 129.6 Ų | 129.6 | 68% | 0.678 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -71 | -37.8 | 174.9 | -175.5 | 80.3 | 0 | 0 | 0 | 112.2 | D220 Q222 A227 M228 | D220-W224 PolarHBondContact O-N 3.38Å; Q222-W224 VanDerWaalsContact C-N 3.32Å; Q222-W224 PolarHBondContact O-N 3.28Å; W224-A227 PolarHBondContact O-N 2.98Å; W224-M228 HydrophobicContact CH2-CE 4.15Å; W224-M228 HydrophobicContact CZ3-CE 4.48Å |
| 225 | A | 74.7 | Confident | 68.1 | Low | 61 Ų | 61 | 128.7 Ų | 128.7 | 50% | 0.504 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -70.1 | -31.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L221 Q222 A227 | L221-A225 PolarHBondContact O-N 3.27Å; Q222-A225 PolarHBondContact O-N 3.11Å; A225-A227 VanDerWaalsContact C-N 3.3Å |
| 226 | E | 72.6 | Confident | 69.2 | Low | 164 Ų | 164 | 126.8 Ų | 126.8 | 77% | 0.766 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -10.1 | 176.8 | -68.8 | -178.5 | 166.8 | 0 | 0 | 113.8 | Q222 | Q222-E226 PolarHBondContact O-N 3.34Š|
| 227 | A | 69.2 | Low | 70.2 | Confident | 85 Ų | 85 | 128.4 Ų | 128.4 | 70% | 0.702 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 5.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | W224 A225 | W224-A227 PolarHBondContact O-N 2.98Å; A225-A227 VanDerWaalsContact C-N 3.3Å |
| 228 | M | 48.7 | Very low | 70.7 | Confident | 204 Ų | 204 | 130.2 Ų | 130.2 | 100% | 1.005 | 65% | 0.648 | S | S | * | * | trans | -102.6 | 0 | 164.5 | -84.1 | -147.3 | -71.1 | 0 | 0 | 111.3 | W224 | W224-M228 HydrophobicContact CH2-CE 4.15Å; W224-M228 HydrophobicContact CZ3-CE 4.48Å |
Retrieved 228 of 228 residues in 715.4 ms
(Link to these results)