| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.4 | Very low | 49.6 | Very low | 252 Ų | 252 | 124.6 Ų | 124.6 | 100% | 1.241 | 71% | 0.714 | S | S | * | * | 0 | 111.6 | 0 | -73.1 | -174.8 | 172.5 | 0 | 0 | 108.5 | |||||
| 2 | A | 39 | Very low | 50.7 | Low | 105 Ų | 105 | 119.8 Ų | 119.8 | 87% | 0.868 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 119.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 3 | K | 44.5 | Very low | 52 | Low | 196 Ų | 196 | 119.2 Ų | 119.2 | 85% | 0.852 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 135.4 | 172.7 | -107.8 | 169.9 | 171.9 | 170.9 | 0 | 109.4 | T5 | K3-T5 PolarHBondContact O-N 3.41Š|
| 4 | P | 45.6 | Very low | 53.1 | Low | 128 Ų | 128 | 121.7 Ų | 121.7 | 83% | 0.831 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 124.2 | 174.9 | 28.1 | -30.6 | 0 | 0 | 0 | 110.3 | ||
| 5 | T | 43.8 | Very low | 54 | Low | 137 Ų | 137 | 114.3 Ų | 114.3 | 84% | 0.84 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -80 | 129.3 | 176.2 | 43.4 | 0 | 0 | 0 | 0 | 110.5 | K3 K7 | K3-T5 PolarHBondContact O-N 3.41Å; T5-K7 PolarHBondContact O-N 2.88Å |
| 6 | S | 45.4 | Very low | 54.8 | Low | 89 Ų | 89 | 113.9 Ų | 113.9 | 62% | 0.622 | 62% | 0.615 | S | S | * | * | trans | -67.7 | 108.8 | -173.5 | -167.5 | 0 | 0 | 0 | 0 | 112.1 | D8 | S6-D8 PolarHBondContact O-N 2.9Š| ||
| 7 | K | 51.3 | Low | 55.6 | Low | 200 Ų | 200 | 114.5 Ų | 114.5 | 87% | 0.87 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -8.4 | 172 | -104 | 174.3 | 175.8 | 174.1 | 0 | 113.9 | T5 | T5-K7 PolarHBondContact O-N 2.88Š|
| 8 | D | 54.5 | Low | 56.2 | Low | 71 Ų | 71 | 113.2 Ų | 113.2 | 38% | 0.38 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -80.5 | -23 | -168.5 | -161.5 | -129.4 | 0 | 0 | 0 | 113.2 | S6 K12 | S6-D8 PolarHBondContact O-N 2.9Å; D8-K12 WeakPolarHBondContact O-CD 3.4Å; D8-K12 VanDerWaalsContact O-CG 3.27Å; D8-K12 WeakPolarHBondContact O-CG 3.46Å; D8-K12 PolarHBondContact O-N 3.41Å; D8-K12 WeakPolarHBondContact OD1-CE 3.33Å; D8-K12 IonicContact OD1-NZ 3.92Å; D8-K12 PolarHBondContact OD1-NZ 2.67Å |
| 9 | S | 55.8 | Low | 56.7 | Low | 72 Ų | 72 | 107.6 Ų | 107.6 | 50% | 0.503 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -71.3 | -36.5 | -178.2 | -66.8 | 0 | 0 | 0 | 0 | 113.2 | K12 E13 | S9-K12 PolarHBondContact O-N 3.24Å; S9-E13 PolarHBondContact O-N 3.24Å |
| 10 | G | 61.8 | Low | 57 | Low | 41 Ų | 41 | 104.9 Ų | 104.9 | 42% | 0.423 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68 | -37.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | K14 | G10-K14 VanDerWaalsContact O-CG 3.24Å; G10-K14 WeakPolarHBondContact O-CG 3.41Å; G10-K14 PolarHBondContact O-N 2.78Å |
| 11 | L | 63.3 | Low | 57.2 | Low | 80 Ų | 80 | 105.2 Ų | 105.2 | 42% | 0.419 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.7 | -43.2 | 174.2 | -97.1 | 108.7 | 0 | 0 | 0 | 111.2 | E13 K14 F15 E47 | L11-E13 VanDerWaalsContact C-N 3.3Å; L11-E13 PolarHBondContact O-N 3.34Å; L11-K14 PolarHBondContact O-N 2.93Å; L11-F15 WeakPolarHBondContact O-CB 3.24Å; L11-F15 PolarHBondContact O-N 3.24Å; L11-E47 WeakPolarHBondContact CD2-OE1 3.33Å |
| 12 | K | 63.2 | Low | 57.7 | Low | 66 Ų | 66 | 95.4 Ų | 95.4 | 29% | 0.287 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.8 | -39.7 | 177.4 | -70.5 | 174.9 | -179.9 | 176.9 | 0 | 112.7 | D8 S9 F15 K16 | D8-K12 WeakPolarHBondContact O-CD 3.4Å; D8-K12 VanDerWaalsContact O-CG 3.27Å; D8-K12 WeakPolarHBondContact O-CG 3.46Å; D8-K12 PolarHBondContact O-N 3.41Å; D8-K12 WeakPolarHBondContact OD1-CE 3.33Å; D8-K12 IonicContact OD1-NZ 3.92Å; D8-K12 PolarHBondContact OD1-NZ 2.67Å; S9-K12 PolarHBondContact O-N 3.24Å; K12-F15 PolarHBondContact O-N 3.09Å; K12-K16 VanDerWaalsContact O-CG 3.29Å; K12-K16 WeakPolarHBondContact O-CG 3.12Å; K12-K16 PolarHBondContact O-N 2.99Å |
| 13 | E | 67.1 | Low | 57.9 | Low | 112 Ų | 112 | 97.1 Ų | 97.1 | 52% | 0.523 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.5 | -49.8 | 176.3 | -146.7 | 83.2 | -169.1 | 0 | 0 | 110.7 | S9 L11 F15 K16 I17 | S9-E13 PolarHBondContact O-N 3.24Å; L11-E13 VanDerWaalsContact C-N 3.3Å; L11-E13 PolarHBondContact O-N 3.34Å; E13-F15 VanDerWaalsContact C-N 3.25Å; E13-F15 PolarHBondContact O-N 3.36Å; E13-K16 PolarHBondContact O-N 2.85Å; E13-I17 VanDerWaalsContact O-CG1 3.31Å; E13-I17 WeakPolarHBondContact O-CG1 3.45Å; E13-I17 PolarHBondContact O-N 3.42Å; E13-I17 VanDerWaalsContact O-N 3.09Å |
| 14 | K | 67.5 | Low | 57.9 | Low | 155 Ų | 155 | 93.5 Ų | 93.5 | 67% | 0.674 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60 | -38.7 | 177.3 | -68.6 | 174.5 | -176.6 | -150.5 | 0 | 111.6 | G10 L11 I17 L18 | G10-K14 VanDerWaalsContact O-CG 3.24Å; G10-K14 WeakPolarHBondContact O-CG 3.41Å; G10-K14 PolarHBondContact O-N 2.78Å; L11-K14 PolarHBondContact O-N 2.93Å; K14-I17 PolarHBondContact O-N 3.41Å; K14-L18 WeakPolarHBondContact O-CB 3.46Å; K14-L18 PolarHBondContact O-N 3.23Å |
| 15 | F | 67.1 | Low | 57.7 | Low | 10 Ų | 10 | 98.7 Ų | 98.7 | 4% | 0.044 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -69.5 | -41.7 | 178.4 | -147.6 | -92.4 | 0 | 0 | 0 | 112.3 | L11 K12 E13 I17 L18 L19 I44 M60 | L11-F15 WeakPolarHBondContact O-CB 3.24Å; L11-F15 PolarHBondContact O-N 3.24Å; K12-F15 PolarHBondContact O-N 3.09Å; E13-F15 VanDerWaalsContact C-N 3.25Å; E13-F15 PolarHBondContact O-N 3.36Å; F15-I17 VanDerWaalsContact C-N 3.26Å; F15-I17 PolarHBondContact O-N 3.1Å; F15-L18 PolarHBondContact O-N 3.39Å; F15-L19 HydrophobicContact CD1-CD1 3.61Å; F15-L19 HydrophobicContact CD1-CD2 4.32Å; F15-L19 HydrophobicContact CD1-CG 3.69Å; F15-L19 HydrophobicContact CE1-CD1 3.63Å; F15-L19 HydrophobicContact CE1-CD2 3.91Å; F15-L19 HydrophobicContact CE1-CG 3.76Å; F15-L19 WeakPolarHBondContact O-CB 3.38Å; F15-L19 WeakPolarHBondContact O-CG 3.42Å; F15-L19 PolarHBondContact O-N 2.98Å; F15-I44 HydrophobicContact CE2-CB 4.43Å; F15-I44 HydrophobicContact CE2-CD1 4.23Å; F15-I44 HydrophobicContact CE2-CG1 3.66Å; F15-I44 HydrophobicContact CZ-CB 4.21Å; F15-I44 HydrophobicContact CZ-CD1 3.69Å; F15-I44 HydrophobicContact CZ-CG1 3.51Å; F15-I44 HydrophobicContact CZ-CG2 4.08Å; F15-M60 HydrophobicContact CD1-CE 4.34Å; F15-M60 HydrophobicContact CD2-CE 4.14Å; F15-M60 HydrophobicContact CE1-CE 3.83Å; F15-M60 HydrophobicContact CE1-SD 3.66Å; F15-M60 HydrophobicContact CE2-CE 3.6Å; F15-M60 HydrophobicContact CE2-SD 4.21Å; F15-M60 HydrophobicContact CG-CE 4.47Å; F15-M60 HydrophobicContact CZ-CE 3.43Å; F15-M60 VanDerWaalsContact CZ-CE 3.43Å; F15-M60 HydrophobicContact CZ-SD 3.43Å; F15-M60 WeakPolarHBondContact CZ-SD 3.31Å |
| 16 | K | 67.1 | Low | 57.7 | Low | 108 Ų | 108 | 98 Ų | 98 | 47% | 0.47 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.6 | -38.5 | 174 | -75.1 | 170.7 | -178.5 | 177.9 | 0 | 112.1 | K12 E13 G20 L21 | K12-K16 VanDerWaalsContact O-CG 3.29Å; K12-K16 WeakPolarHBondContact O-CG 3.12Å; K12-K16 PolarHBondContact O-N 2.99Å; E13-K16 PolarHBondContact O-N 2.85Å; K16-G20 PolarHBondContact O-N 3.18Å; K16-L21 PolarHBondContact O-N 3.47Å |
| 17 | I | 68.6 | Low | 57.1 | Low | 125 Ų | 125 | 101.1 Ų | 101.1 | 64% | 0.641 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.7 | -46 | 175.3 | -64.4 | 164.3 | 0 | 0 | 0 | 110 | E13 K14 F15 L19 G20 | E13-I17 VanDerWaalsContact O-CG1 3.31Å; E13-I17 WeakPolarHBondContact O-CG1 3.45Å; E13-I17 PolarHBondContact O-N 3.42Å; E13-I17 VanDerWaalsContact O-N 3.09Å; K14-I17 PolarHBondContact O-N 3.41Å; F15-I17 VanDerWaalsContact C-N 3.26Å; F15-I17 PolarHBondContact O-N 3.1Å; I17-L19 VanDerWaalsContact C-N 3.34Å; I17-L19 PolarHBondContact O-N 3.46Å; I17-G20 PolarHBondContact O-N 3.36Å; I17-G20 VanDerWaalsContact O-N 3.1Å |
| 18 | L | 66.4 | Low | 57.3 | Low | 90 Ų | 90 | 96.1 Ų | 96.1 | 47% | 0.471 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62 | -38.9 | 177.3 | -167.8 | 77.4 | 0 | 0 | 0 | 112.5 | K14 F15 G20 T41 | K14-L18 WeakPolarHBondContact O-CB 3.46Å; K14-L18 PolarHBondContact O-N 3.23Å; F15-L18 PolarHBondContact O-N 3.39Å; L18-G20 PolarHBondContact O-N 3.4Å; L18-T41 HydrophobicContact CD2-CG2 4.3Å |
| 19 | L | 64.1 | Low | 56.7 | Low | 8 Ų | 8 | 103.8 Ų | 103.8 | 4% | 0.042 | 56% | 0.56 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -76.5 | -9.4 | 177 | -66 | -170.8 | 0 | 0 | 0 | 113.4 | F15 I17 L21 F38 V67 K71 | F15-L19 HydrophobicContact CD1-CD1 3.61Å; F15-L19 HydrophobicContact CD1-CD2 4.32Å; F15-L19 HydrophobicContact CD1-CG 3.69Å; F15-L19 HydrophobicContact CE1-CD1 3.63Å; F15-L19 HydrophobicContact CE1-CD2 3.91Å; F15-L19 HydrophobicContact CE1-CG 3.76Å; F15-L19 WeakPolarHBondContact O-CB 3.38Å; F15-L19 WeakPolarHBondContact O-CG 3.42Å; F15-L19 PolarHBondContact O-N 2.98Å; I17-L19 VanDerWaalsContact C-N 3.34Å; I17-L19 PolarHBondContact O-N 3.46Å; L19-L21 VanDerWaalsContact C-N 3.3Å; L19-L21 HydrophobicContact CB-CD1 3.71Å; L19-L21 HydrophobicContact CD1-CD1 4.5Å; L19-L21 PolarHBondContact O-N 3.22Å; L19-F38 HydrophobicContact CD2-CE1 4.17Å; L19-F38 HydrophobicContact CD2-CE2 3.4Å; L19-F38 VanDerWaalsContact CD2-CE2 3.4Å; L19-F38 HydrophobicContact CD2-CZ 3.14Å; L19-V67 HydrophobicContact CB-CG2 4.5Å; L19-V67 HydrophobicContact CD1-CG2 3.75Å; L19-V67 HydrophobicContact CD2-CG2 3.62Å; L19-V67 HydrophobicContact CG-CG2 4.15Å; L19-K71 PolarHBondContact O-NZ 2.94Å |
| 20 | G | 62.9 | Low | 55.8 | Low | 53 Ų | 53 | 106 Ų | 106 | 55% | 0.546 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 66 | 29.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | K16 I17 L18 | K16-G20 PolarHBondContact O-N 3.18Å; I17-G20 PolarHBondContact O-N 3.36Å; I17-G20 VanDerWaalsContact O-N 3.1Å; L18-G20 PolarHBondContact O-N 3.4Å |
| 21 | L | 61.6 | Low | 54.4 | Low | 112 Ų | 112 | 108.6 Ų | 108.6 | 59% | 0.586 | 59% | 0.593 | S | S | * | * | trans | -92.1 | 5.3 | 175.3 | -92.8 | 84.9 | 0 | 0 | 0 | 113.1 | K16 L19 | K16-L21 PolarHBondContact O-N 3.47Å; L19-L21 VanDerWaalsContact C-N 3.3Å; L19-L21 HydrophobicContact CB-CD1 3.71Å; L19-L21 HydrophobicContact CD1-CD1 4.5Å; L19-L21 PolarHBondContact O-N 3.22Å | ||
| 22 | G | 50.2 | Low | 53.3 | Low | 46 Ų | 46 | 114.5 Ų | 114.5 | 47% | 0.474 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -85.2 | 152.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 23 | T | 44.9 | Very low | 52.2 | Low | 141 Ų | 141 | 115 Ų | 115 | 87% | 0.865 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -46.5 | 124.5 | -177 | 47.5 | 0 | 0 | 0 | 0 | 112.4 | ||
| 24 | P | 43.3 | Very low | 50.9 | Low | 120 Ų | 120 | 119.1 Ų | 119.1 | 78% | 0.779 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 131 | -176.6 | 30.1 | -30.7 | 0 | 0 | 0 | 110.1 | ||
| 25 | R | 41.4 | Very low | 50 | Low | 237 Ų | 237 | 118.3 Ų | 118.3 | 89% | 0.894 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 127.8 | 159.9 | -165.4 | 176.3 | -169.3 | -166.7 | 2.5 | 107.2 | N27 | R25-N27 PolarHBondContact O-N 3.06Š|
| 26 | P | 43.9 | Very low | 49.3 | Very low | 122 Ų | 122 | 123.8 Ų | 123.8 | 79% | 0.792 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 125.8 | 179.2 | 29.2 | -29.7 | 0 | 0 | 0 | 109.1 | ||
| 27 | N | 33.8 | Very low | 49.2 | Very low | 154 Ų | 154 | 123.5 Ų | 123.5 | 82% | 0.824 | 69% | 0.691 | S | S | * | * | trans | -134.8 | 127.9 | 155.8 | -164.3 | 37.1 | 0 | 0 | 0 | 108.4 | R25 | R25-N27 PolarHBondContact O-N 3.06Š| ||
| 28 | P | 53.8 | Low | 49.7 | Very low | 96 Ų | 96 | 118.3 Ų | 118.3 | 62% | 0.623 | 66% | 0.664 | S | S | * | * | trans | -91.1 | 154.9 | -173.2 | 37 | -32.1 | 0 | 0 | 0 | 111.2 | ||||
| 29 | R | 43.7 | Very low | 50.5 | Low | 231 Ų | 231 | 118.7 Ų | 118.7 | 87% | 0.872 | 67% | 0.666 | S | S | * | * | trans | 80.4 | 105.6 | 164 | -54 | 175.9 | 178.1 | 174.8 | -1.1 | 116.5 | ||||
| 30 | S | 35.5 | Very low | 51.4 | Low | 120 Ų | 120 | 118.7 Ų | 118.7 | 84% | 0.839 | 67% | 0.666 | S | S | * | * | 179.6 | 136.9 | 105.6 | -74.6 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 31 | A | 34 | Very low | 52.5 | Low | 95 Ų | 95 | 118.2 Ų | 118.2 | 79% | 0.785 | 65% | 0.652 | S | S | * | * | trans | 62.8 | 99.4 | 149.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 32 | E | 40 | Very low | 53.4 | Low | 204 Ų | 204 | 116.8 Ų | 116.8 | 95% | 0.953 | 66% | 0.657 | S | S | * | * | S | Bend | 4.2 | 122.3 | 128 | -151.4 | 161.8 | 149.8 | 0 | 0 | 116.7 | |||
| 33 | G | 39.3 | Very low | 55 | Low | 75 Ų | 75 | 118 Ų | 118 | 77% | 0.773 | 65% | 0.65 | S | S | * | * | trans | 113.6 | 1.9 | 148.8 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 34 | K | 40.4 | Very low | 57 | Low | 199 Ų | 199 | 111.3 Ų | 111.3 | 87% | 0.865 | 61% | 0.609 | S | S | * | * | trans | -128.2 | 92.2 | 171.8 | -76.3 | 172.9 | 179.7 | 174.6 | 0 | 110.3 | T36 | K34-T36 PolarHBondContact O-N 3.28Š| ||
| 35 | Q | 48.6 | Very low | 59 | Low | 139 Ų | 139 | 107.9 Ų | 107.9 | 65% | 0.65 | 58% | 0.584 | S | S | * | * | trans | -61.2 | 112.3 | 166.9 | -65.5 | -168.4 | 25.3 | 0 | 0 | 107.2 | E37 K72 | Q35-E37 PolarHBondContact O-N 3.27Å; Q35-K72 VanDerWaalsContact OE1-CG 3.23Å | ||
| 36 | T | 52.2 | Low | 61.2 | Low | 125 Ų | 125 | 103 Ų | 103 | 77% | 0.767 | 57% | 0.565 | S | S | * | * | trans | -56 | 101.7 | 179.1 | -30.2 | 0 | 0 | 0 | 0 | 109 | K34 F38 | K34-T36 PolarHBondContact O-N 3.28Å; T36-F38 PolarHBondContact O-N 3.45Å | ||
| 37 | E | 65.6 | Low | 63.2 | Low | 102 Ų | 102 | 99 Ų | 99 | 48% | 0.477 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -62 | 126.8 | 173.8 | -65.8 | -172 | 153.6 | 0 | 0 | 108.2 | Q35 K72 R115 | Q35-E37 PolarHBondContact O-N 3.27Å; E37-K72 CarbonylContact C-O 3.58Å; E37-K72 WeakPolarHBondContact CA-O 3.46Å; E37-R115 IonicContact OE1-NH1 2.81Å |
| 38 | F | 78.6 | Confident | 65.7 | Low | 15 Ų | 15 | 91.7 Ų | 91.7 | 7% | 0.066 | 50% | 0.497 | C | S | . | . | B | Isolated β-bridge | trans | -79.9 | 122 | 175.5 | 179.3 | -98.3 | 0 | 0 | 0 | 109 | L19 T36 I40 I44 V67 K71 K72 F73 E74 | L19-F38 HydrophobicContact CD2-CE1 4.17Å; L19-F38 HydrophobicContact CD2-CE2 3.4Å; L19-F38 VanDerWaalsContact CD2-CE2 3.4Å; L19-F38 HydrophobicContact CD2-CZ 3.14Å; T36-F38 PolarHBondContact O-N 3.45Å; F38-I40 HydrophobicContact CD1-CD1 3.94Å; F38-I40 HydrophobicContact CE1-CD1 3.57Å; F38-I40 HydrophobicContact CE1-CG1 4.47Å; F38-I44 HydrophobicContact CE1-CD1 4.09Å; F38-I44 HydrophobicContact CZ-CD1 3.82Å; F38-V67 HydrophobicContact CB-CG1 4.3Å; F38-V67 HydrophobicContact CD1-CG1 3.58Å; F38-V67 HydrophobicContact CD2-CG1 3.92Å; F38-V67 HydrophobicContact CE1-CG1 3.8Å; F38-V67 HydrophobicContact CE2-CG1 4.17Å; F38-V67 HydrophobicContact CG-CG1 3.63Å; F38-V67 HydrophobicContact CZ-CG1 4.13Å; F38-K71 HydrophobicContact CB-CB 3.94Å; F38-K71 HydrophobicContact CB-CD 4.18Å; F38-K71 HydrophobicContact CD2-CD 4.15Å; F38-K71 HydrophobicContact CG-CD 4.46Å; F38-K72 WeakPolarHBondContact CB-O 3.45Å; F38-K72 PolarHBondContact N-O 2.98Å; F38-F73 HydrophobicContact CB-CD1 4.2Å; F38-F73 AromaticContact CD1-CD1 3.83Å; F38-F73 HydrophobicContact CD1-CD1 3.83Å; F38-F73 AromaticContact CD1-CE1 3.74Å; F38-F73 HydrophobicContact CD1-CE1 3.74Å; F38-F73 HydrophobicContact CE1-CE1 4.44Å; F38-F73 HydrophobicContact CG-CD1 4.48Å; F38-E74 PolarHBondContact O-N 2.94Å |
| 39 | I | 82.8 | Confident | 67.2 | Low | 98 Ų | 98 | 88.7 Ų | 88.7 | 50% | 0.503 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -87.5 | 124.8 | -178.9 | -60.8 | 169.9 | 0 | 0 | 0 | 108.9 | T41 E74 | I39-T41 HydrophobicContact CG2-CG2 4.28Å; I39-T41 PolarHBondContact O-N 3.1Å; I39-T41 VanDerWaalsContact O-N 3.13Å; I39-E74 WeakPolarHBondContact CG2-OE1 2.83Å; I39-E74 WeakPolarHBondContact CG2-OE2 3.43Å |
| 40 | I | 84.1 | Confident | 69.1 | Low | 9 Ų | 9 | 84.3 Ų | 84.3 | 5% | 0.046 | 47% | 0.469 | C | S | . | . | trans | -82.1 | 92.2 | 173 | -62.8 | -70.5 | 0 | 0 | 0 | 107.2 | F38 I44 L45 F73 E74 A77 L81 | F38-I40 HydrophobicContact CD1-CD1 3.94Å; F38-I40 HydrophobicContact CE1-CD1 3.57Å; F38-I40 HydrophobicContact CE1-CG1 4.47Å; I40-I44 HydrophobicContact CG2-CB 4.32Å; I40-I44 HydrophobicContact CG2-CG2 4.37Å; I40-L45 HydrophobicContact CG2-CD1 4.42Å; I40-L45 HydrophobicContact CG2-CD2 3.68Å; I40-L45 HydrophobicContact CG2-CG 3.86Å; I40-F73 HydrophobicContact CD1-CE1 4.32Å; I40-F73 HydrophobicContact CD1-CZ 4.37Å; I40-E74 PolarHBondContact N-OE1 3.11Å; I40-A77 HydrophobicContact CB-CB 4.1Å; I40-A77 HydrophobicContact CG1-CB 3.52Å; I40-L81 HydrophobicContact CD1-CD1 3.95Å; I40-L81 HydrophobicContact CD1-CD2 4.24Å; I40-L81 HydrophobicContact CD1-CG 4.27Å; I40-L81 HydrophobicContact CG1-CD1 4.23Å; I40-L81 HydrophobicContact CG1-CG 4.35Å; I40-L81 HydrophobicContact CG2-CD2 4.17Å; I40-L81 HydrophobicContact CG2-CG 4.35Å | ||
| 41 | T | 85.3 | Confident | 71.1 | Confident | 43 Ų | 43 | 86.8 Ų | 86.8 | 26% | 0.264 | 47% | 0.468 | S | S | . | . | trans | -65.9 | 155.4 | -176.7 | 72.5 | 0 | 0 | 0 | 0 | 111.7 | L18 I39 E43 I44 L45 | L18-T41 HydrophobicContact CD2-CG2 4.3Å; I39-T41 HydrophobicContact CG2-CG2 4.28Å; I39-T41 PolarHBondContact O-N 3.1Å; I39-T41 VanDerWaalsContact O-N 3.13Å; T41-E43 PolarHBondContact O-N 2.89Å; T41-E43 VanDerWaalsContact O-N 3.1Å; T41-I44 WeakPolarHBondContact O-CB 3.35Å; T41-I44 PolarHBondContact O-N 3.05Å; T41-I44 WeakPolarHBondContact OG1-CG1 3.32Å; T41-L45 PolarHBondContact O-N 3.04Å | ||
| 42 | A | 80.6 | Confident | 73.6 | Confident | 82 Ų | 82 | 84.1 Ų | 84.1 | 68% | 0.678 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -56.6 | -26.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | L45 R46 | A42-L45 PolarHBondContact O-N 2.96Å; A42-R46 WeakPolarHBondContact O-CB 3.44Å; A42-R46 PolarHBondContact O-N 3.32Å |
| 43 | E | 84.3 | Confident | 76 | Confident | 71 Ų | 71 | 76.6 Ų | 76.6 | 33% | 0.332 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.3 | -42 | 174.8 | -175.8 | 68.1 | 169.4 | 0 | 0 | 111.9 | T41 L45 R46 E47 | T41-E43 PolarHBondContact O-N 2.89Å; T41-E43 VanDerWaalsContact O-N 3.1Å; E43-L45 VanDerWaalsContact C-N 3.31Å; E43-L45 PolarHBondContact O-N 3.13Å; E43-R46 WeakPolarHBondContact O-CB 3.43Å; E43-R46 PolarHBondContact O-N 2.88Å; E43-R46 IonicContact OE1-CZ 3.72Å; E43-R46 IonicContact OE1-NE 4Å; E43-R46 IonicContact OE1-NH2 2.67Å; E43-R46 PolarHBondContact OE1-NH2 2.73Å; E43-R46 IonicContact OE2-CZ 3.25Å; E43-R46 VanDerWaalsContact OE2-CZ 3.25Å; E43-R46 IonicContact OE2-NE 2.78Å; E43-R46 PolarHBondContact OE2-NE 3.43Å; E43-R46 IonicContact OE2-NH2 2.9Å; E43-R46 PolarHBondContact OE2-NH2 3.47Å; E43-E47 PolarHBondContact O-N 2.56Å |
| 44 | I | 85.8 | Confident | 78.5 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.4 | -45.6 | 175.1 | -51.9 | -168.1 | 0 | 0 | 0 | 109.9 | F15 F38 I40 T41 R46 E47 L48 M60 I64 | F15-I44 HydrophobicContact CE2-CB 4.43Å; F15-I44 HydrophobicContact CE2-CD1 4.23Å; F15-I44 HydrophobicContact CE2-CG1 3.66Å; F15-I44 HydrophobicContact CZ-CB 4.21Å; F15-I44 HydrophobicContact CZ-CD1 3.69Å; F15-I44 HydrophobicContact CZ-CG1 3.51Å; F15-I44 HydrophobicContact CZ-CG2 4.08Å; F38-I44 HydrophobicContact CE1-CD1 4.09Å; F38-I44 HydrophobicContact CZ-CD1 3.82Å; I40-I44 HydrophobicContact CG2-CB 4.32Å; I40-I44 HydrophobicContact CG2-CG2 4.37Å; T41-I44 WeakPolarHBondContact O-CB 3.35Å; T41-I44 PolarHBondContact O-N 3.05Å; T41-I44 WeakPolarHBondContact OG1-CG1 3.32Å; I44-R46 VanDerWaalsContact C-N 3.31Å; I44-R46 PolarHBondContact O-N 3.05Å; I44-E47 PolarHBondContact O-N 3.3Å; I44-L48 HydrophobicContact CG2-CD1 4.41Å; I44-L48 WeakPolarHBondContact O-CG 2.88Å; I44-L48 PolarHBondContact O-N 3.44Å; I44-M60 HydrophobicContact CG2-SD 4.32Å; I44-I64 HydrophobicContact CG2-CD1 3.67Å; I44-I64 HydrophobicContact CG2-CG1 4.23Å |
| 45 | L | 85.6 | Confident | 81 | Confident | 49 Ų | 49 | 71.8 Ų | 71.8 | 26% | 0.257 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.7 | -35.8 | 178.9 | -62.9 | 176.6 | 0 | 0 | 0 | 111.9 | I40 T41 A42 E43 L48 S49 A80 L81 A84 | I40-L45 HydrophobicContact CG2-CD1 4.42Å; I40-L45 HydrophobicContact CG2-CD2 3.68Å; I40-L45 HydrophobicContact CG2-CG 3.86Å; T41-L45 PolarHBondContact O-N 3.04Å; A42-L45 PolarHBondContact O-N 2.96Å; E43-L45 VanDerWaalsContact C-N 3.31Å; E43-L45 PolarHBondContact O-N 3.13Å; L45-L48 CarbonylContact O-C 3.54Å; L45-L48 PolarHBondContact O-N 2.72Å; L45-S49 PolarHBondContact O-N 3.31Å; L45-A80 HydrophobicContact CD1-CB 4.03Å; L45-A80 HydrophobicContact CD2-CB 4.13Å; L45-L81 HydrophobicContact CD2-CD2 4.45Å; L45-A84 HydrophobicContact CD2-CB 4.16Å |
| 46 | R | 86.7 | Confident | 83.1 | Confident | 133 Ų | 133 | 69.2 Ų | 69.2 | 50% | 0.502 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 175 | -169.5 | 177 | 70.4 | 86 | 0.3 | 111.8 | A42 E43 I44 L48 S49 | A42-R46 WeakPolarHBondContact O-CB 3.44Å; A42-R46 PolarHBondContact O-N 3.32Å; E43-R46 WeakPolarHBondContact O-CB 3.43Å; E43-R46 PolarHBondContact O-N 2.88Å; E43-R46 IonicContact OE1-CZ 3.72Å; E43-R46 IonicContact OE1-NE 4Å; E43-R46 IonicContact OE1-NH2 2.67Å; E43-R46 PolarHBondContact OE1-NH2 2.73Å; E43-R46 IonicContact OE2-CZ 3.25Å; E43-R46 VanDerWaalsContact OE2-CZ 3.25Å; E43-R46 IonicContact OE2-NE 2.78Å; E43-R46 PolarHBondContact OE2-NE 3.43Å; E43-R46 IonicContact OE2-NH2 2.9Å; E43-R46 PolarHBondContact OE2-NH2 3.47Å; I44-R46 VanDerWaalsContact C-N 3.31Å; I44-R46 PolarHBondContact O-N 3.05Å; R46-L48 VanDerWaalsContact C-N 3.27Å; R46-L48 PolarHBondContact O-N 2.83Å; R46-S49 WeakPolarHBondContact O-CB 3.29Å; R46-S49 PolarHBondContact O-N 3.36Å; R46-S49 VanDerWaalsContact O-N 3.13Å |
| 47 | E | 86.3 | Confident | 85.1 | Confident | 40 Ų | 40 | 63.5 Ų | 63.5 | 19% | 0.187 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.2 | -25.9 | 175.2 | -71.8 | -170.1 | -141 | 0 | 0 | 113.2 | L11 E43 I44 S49 C52 M60 | L11-E47 WeakPolarHBondContact CD2-OE1 3.33Å; E43-E47 PolarHBondContact O-N 2.56Å; I44-E47 PolarHBondContact O-N 3.3Å; E47-S49 VanDerWaalsContact C-N 3.34Å; E47-C52 WeakPolarHBondContact O-CB 3.42Å; E47-M60 HydrophobicContact CB-CE 3.95Å; E47-M60 HydrophobicContact CB-CG 4.49Å; E47-M60 HydrophobicContact CG-CE 4.36Å; E47-M60 WeakPolarHBondContact OE2-CE 3.27Å |
| 48 | L | 87.6 | Confident | 86.4 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -8.6 | 171.2 | -74.8 | 177.2 | 0 | 0 | 0 | 114 | I44 L45 R46 R57 M60 I61 I64 L81 A84 V85 | I44-L48 HydrophobicContact CG2-CD1 4.41Å; I44-L48 WeakPolarHBondContact O-CG 2.88Å; I44-L48 PolarHBondContact O-N 3.44Å; L45-L48 CarbonylContact O-C 3.54Å; L45-L48 PolarHBondContact O-N 2.72Å; R46-L48 VanDerWaalsContact C-N 3.27Å; R46-L48 PolarHBondContact O-N 2.83Å; L48-R57 VanDerWaalsContact O-CZ 3.24Å; L48-R57 PolarHBondContact O-NE 3.49Å; L48-R57 PolarHBondContact O-NH2 3.49Å; L48-M60 HydrophobicContact CD2-CB 4.02Å; L48-M60 HydrophobicContact CD2-CG 3.68Å; L48-M60 HydrophobicContact CG-CG 3.89Å; L48-I61 HydrophobicContact CD2-CD1 4.47Å; L48-I61 HydrophobicContact CD2-CG1 3.68Å; L48-I64 HydrophobicContact CD1-CD1 3.61Å; L48-I64 HydrophobicContact CD2-CD1 4.2Å; L48-I64 HydrophobicContact CG-CD1 4.13Å; L48-L81 HydrophobicContact CD1-CD2 3.57Å; L48-A84 HydrophobicContact CB-CB 4.02Å; L48-A84 HydrophobicContact CD1-CB 4.25Å; L48-V85 HydrophobicContact CD1-CG1 4.19Å; L48-V85 HydrophobicContact CD2-CG1 4.04Å |
| 49 | S | 85.4 | Confident | 87.2 | Confident | 32 Ų | 32 | 66.5 Ų | 66.5 | 22% | 0.224 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -63.6 | 155.6 | -177 | -176.7 | 0 | 0 | 0 | 0 | 112.2 | L45 R46 E47 E51 C52 R57 | L45-S49 PolarHBondContact O-N 3.31Å; R46-S49 WeakPolarHBondContact O-CB 3.29Å; R46-S49 PolarHBondContact O-N 3.36Å; R46-S49 VanDerWaalsContact O-N 3.13Å; E47-S49 VanDerWaalsContact C-N 3.34Å; S49-E51 PolarHBondContact O-N 2.97Å; S49-E51 VanDerWaalsContact O-N 3.16Å; S49-E51 PolarHBondContact OG-N 3.03Å; S49-C52 WeakPolarHBondContact O-CB 3.38Å; S49-C52 PolarHBondContact O-N 2.92Å; S49-R57 VanDerWaalsContact O-CD 3.23Å; S49-R57 WeakPolarHBondContact O-CD 3.44Å; S49-R57 PolarHBondContact O-NE 3.23Å |
| 50 | M | 81.8 | Confident | 87.6 | Confident | 140 Ų | 140 | 62 Ų | 62 | 69% | 0.69 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -17.3 | 173.3 | 63 | 178 | 63.9 | 0 | 0 | 113.9 | C52 | M50-C52 PolarHBondContact O-N 3.19Š|
| 51 | E | 79.5 | Confident | 88.1 | Confident | 172 Ų | 172 | 61.7 Ų | 61.7 | 80% | 0.804 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -21.3 | 172.8 | -62.9 | 177.7 | 175.2 | 0 | 0 | 112.4 | S49 | S49-E51 PolarHBondContact O-N 2.97Å; S49-E51 VanDerWaalsContact O-N 3.16Å; S49-E51 PolarHBondContact OG-N 3.03Å |
| 52 | C | 85.6 | Confident | 88.5 | Confident | 38 Ų | 38 | 61.3 Ų | 61.3 | 26% | 0.257 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -88.8 | 142.1 | 175.9 | -75.6 | 0 | 0 | 0 | 0 | 111.2 | E47 S49 M50 R57 | E47-C52 WeakPolarHBondContact O-CB 3.42Å; S49-C52 WeakPolarHBondContact O-CB 3.38Å; S49-C52 PolarHBondContact O-N 2.92Å; M50-C52 PolarHBondContact O-N 3.19Å; C52-R57 HydrophobicContact CB-CG 4.05Å; C52-R57 WeakPolarHBondContact O-CD 3.5Å |
| 53 | G | 90.3 | Very high | 89 | Confident | 46 Ų | 46 | 60 Ų | 60 | 47% | 0.474 | 31% | 0.31 | S | S | . | . | trans | -57 | 143.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N55 N56 R57 | G53-N55 VanDerWaalsContact C-N 3.28Å; G53-N55 PolarHBondContact O-N 3.03Å; G53-N55 VanDerWaalsContact O-N 3.14Å; G53-N56 WeakPolarHBondContact O-CB 3.23Å; G53-N56 PolarHBondContact O-N 3.26Å; G53-R57 PolarHBondContact O-N 3.37Å | ||
| 54 | L | 92 | Very high | 89.3 | Confident | 50 Ų | 50 | 56.7 Ų | 56.7 | 26% | 0.262 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -51.2 | -43.4 | -173.6 | -174.6 | 65.7 | 0 | 0 | 0 | 113.8 | N56 R57 I58 L88 P94 A97 | L54-N56 VanDerWaalsContact C-N 3.29Å; L54-N56 PolarHBondContact O-N 3.17Å; L54-R57 PolarHBondContact O-N 2.95Å; L54-I58 HydrophobicContact CG-CD1 4.04Å; L54-I58 WeakPolarHBondContact O-CG1 3.45Å; L54-I58 PolarHBondContact O-N 3.37Å; L54-L88 HydrophobicContact CD1-CD2 3.35Å; L54-P94 HydrophobicContact CD2-CG 3.35Å; L54-A97 HydrophobicContact CD1-CB 3.86Å; L54-A97 HydrophobicContact CD2-CB 4.43Å; L54-A97 HydrophobicContact CG-CB 4.43Å |
| 55 | N | 92.8 | Very high | 89.5 | Confident | 124 Ų | 124 | 57.2 Ų | 57.2 | 66% | 0.663 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -63.9 | -33.2 | 179.2 | -71.1 | -43.1 | 0 | 0 | 0 | 113.1 | G53 R59 | G53-N55 VanDerWaalsContact C-N 3.28Å; G53-N55 PolarHBondContact O-N 3.03Å; G53-N55 VanDerWaalsContact O-N 3.14Å; N55-R59 WeakPolarHBondContact O-CB 3.3Å; N55-R59 PolarHBondContact O-N 3.49Å; N55-R59 VanDerWaalsContact O-N 3.08Å |
| 56 | N | 92.1 | Very high | 89.8 | Confident | 84 Ų | 84 | 59.3 Ų | 59.3 | 45% | 0.449 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -70.3 | -44 | 176.6 | -66.1 | -7.5 | 0 | 0 | 0 | 109.9 | G53 L54 I58 R59 M60 | G53-N56 WeakPolarHBondContact O-CB 3.23Å; G53-N56 PolarHBondContact O-N 3.26Å; L54-N56 VanDerWaalsContact C-N 3.29Å; L54-N56 PolarHBondContact O-N 3.17Å; N56-I58 PolarHBondContact O-N 2.74Å; N56-R59 PolarHBondContact O-N 3.01Å; N56-M60 WeakPolarHBondContact O-CB 3.33Å; N56-M60 PolarHBondContact O-N 2.99Å |
| 57 | R | 94.3 | Very high | 89.9 | Confident | 5 Ų | 5 | 53 Ų | 53 | 2% | 0.019 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.3 | -46.2 | 175.9 | -58.8 | 177.2 | 71.5 | -164.8 | -1 | 111.2 | L48 S49 C52 G53 L54 R59 M60 I61 A84 D87 L88 | L48-R57 VanDerWaalsContact O-CZ 3.24Å; L48-R57 PolarHBondContact O-NE 3.49Å; L48-R57 PolarHBondContact O-NH2 3.49Å; S49-R57 VanDerWaalsContact O-CD 3.23Å; S49-R57 WeakPolarHBondContact O-CD 3.44Å; S49-R57 PolarHBondContact O-NE 3.23Å; C52-R57 HydrophobicContact CB-CG 4.05Å; C52-R57 WeakPolarHBondContact O-CD 3.5Å; G53-R57 PolarHBondContact O-N 3.37Å; L54-R57 PolarHBondContact O-N 2.95Å; R57-R59 PolarHBondContact O-N 3.37Å; R57-M60 PolarHBondContact O-N 3.02Å; R57-I61 WeakPolarHBondContact O-CB 3.42Å; R57-I61 WeakPolarHBondContact O-CD1 3.36Å; R57-I61 WeakPolarHBondContact O-CG1 3.37Å; R57-I61 PolarHBondContact O-N 3.47Å; R57-A84 PolarHBondContact NH2-O 3.07Å; R57-D87 IonicContact CZ-OD1 3.85Å; R57-D87 IonicContact CZ-OD2 3.36Å; R57-D87 IonicContact NH1-OD1 2.97Å; R57-D87 PolarHBondContact NH1-OD1 3.31Å; R57-D87 IonicContact NH1-OD2 2.69Å; R57-D87 PolarHBondContact NH1-OD2 3.37Å; R57-D87 IonicContact NH2-OD1 2.71Å; R57-D87 PolarHBondContact NH2-OD1 2.96Å; R57-D87 IonicContact NH2-OD2 3.44Å; R57-L88 HydrophobicContact CB-CD1 4.37Å; R57-L88 VanDerWaalsContact NH1-CD2 3.27Å |
| 58 | I | 94.1 | Very high | 89.9 | Confident | 38 Ų | 38 | 51.1 Ų | 51.1 | 20% | 0.195 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.1 | -45.1 | 176.4 | -69.6 | 169.3 | 0 | 0 | 0 | 111.6 | L54 N56 I61 G62 E96 A97 A100 | L54-I58 HydrophobicContact CG-CD1 4.04Å; L54-I58 WeakPolarHBondContact O-CG1 3.45Å; L54-I58 PolarHBondContact O-N 3.37Å; N56-I58 PolarHBondContact O-N 2.74Å; I58-I61 PolarHBondContact O-N 3.16Å; I58-G62 PolarHBondContact O-N 3.44Å; I58-E96 HydrophobicContact CD1-CB 4.29Å; I58-A97 HydrophobicContact CD1-CB 3.98Å; I58-A97 HydrophobicContact CG1-CB 4.26Å; I58-A100 HydrophobicContact CG1-CB 4.39Å; I58-A100 HydrophobicContact CG2-CB 4.07Å |
| 59 | R | 93.8 | Very high | 89.6 | Confident | 143 Ų | 143 | 56 Ų | 56 | 54% | 0.54 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.5 | -46 | 177.7 | -174 | -171.7 | -57.7 | -80 | -1.9 | 111.4 | N55 N56 R57 I61 G62 Q63 | N55-R59 WeakPolarHBondContact O-CB 3.3Å; N55-R59 PolarHBondContact O-N 3.49Å; N55-R59 VanDerWaalsContact O-N 3.08Å; N56-R59 PolarHBondContact O-N 3.01Å; R57-R59 PolarHBondContact O-N 3.37Å; R59-I61 VanDerWaalsContact C-N 3.35Å; R59-G62 PolarHBondContact O-N 2.91Å; R59-G62 VanDerWaalsContact O-N 3.14Å; R59-Q63 PolarHBondContact O-N 3.17Å; R59-Q63 VanDerWaalsContact O-N 3.1Å |
| 60 | M | 92.4 | Very high | 89.3 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.02 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 179 | 179.5 | 52.2 | 74.9 | 0 | 0 | 111.3 | F15 I44 E47 L48 N56 R57 G62 Q63 I64 | F15-M60 HydrophobicContact CD1-CE 4.34Å; F15-M60 HydrophobicContact CD2-CE 4.14Å; F15-M60 HydrophobicContact CE1-CE 3.83Å; F15-M60 HydrophobicContact CE1-SD 3.66Å; F15-M60 HydrophobicContact CE2-CE 3.6Å; F15-M60 HydrophobicContact CE2-SD 4.21Å; F15-M60 HydrophobicContact CG-CE 4.47Å; F15-M60 HydrophobicContact CZ-CE 3.43Å; F15-M60 VanDerWaalsContact CZ-CE 3.43Å; F15-M60 HydrophobicContact CZ-SD 3.43Å; F15-M60 WeakPolarHBondContact CZ-SD 3.31Å; I44-M60 HydrophobicContact CG2-SD 4.32Å; E47-M60 HydrophobicContact CB-CE 3.95Å; E47-M60 HydrophobicContact CB-CG 4.49Å; E47-M60 HydrophobicContact CG-CE 4.36Å; E47-M60 WeakPolarHBondContact OE2-CE 3.27Å; L48-M60 HydrophobicContact CD2-CB 4.02Å; L48-M60 HydrophobicContact CD2-CG 3.68Å; L48-M60 HydrophobicContact CG-CG 3.89Å; N56-M60 WeakPolarHBondContact O-CB 3.33Å; N56-M60 PolarHBondContact O-N 2.99Å; R57-M60 PolarHBondContact O-N 3.02Å; M60-G62 VanDerWaalsContact C-N 3.28Å; M60-G62 PolarHBondContact O-N 2.79Å; M60-Q63 WeakPolarHBondContact O-CB 3.45Å; M60-Q63 PolarHBondContact O-N 3.13Å; M60-I64 HydrophobicContact CG-CD1 3.93Å; M60-I64 WeakPolarHBondContact O-CG1 3.3Å; M60-I64 PolarHBondContact O-N 2.76Å; M60-I64 HydrophobicContact SD-CD1 4.14Å; M60-I64 HydrophobicContact SD-CG1 4.2Å |
| 61 | I | 94.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -54.6 | -46.5 | 172.9 | -71.6 | 166.1 | 0 | 0 | 0 | 110.8 | L48 R57 I58 R59 Q63 I64 C65 V85 L88 A100 V101 L104 | L48-I61 HydrophobicContact CD2-CD1 4.47Å; L48-I61 HydrophobicContact CD2-CG1 3.68Å; R57-I61 WeakPolarHBondContact O-CB 3.42Å; R57-I61 WeakPolarHBondContact O-CD1 3.36Å; R57-I61 WeakPolarHBondContact O-CG1 3.37Å; R57-I61 PolarHBondContact O-N 3.47Å; I58-I61 PolarHBondContact O-N 3.16Å; R59-I61 VanDerWaalsContact C-N 3.35Å; I61-Q63 VanDerWaalsContact C-N 3.28Å; I61-Q63 PolarHBondContact O-N 3.25Å; I61-I64 PolarHBondContact O-N 2.9Å; I61-C65 PolarHBondContact O-N 3.03Å; I61-C65 PolarHBondContact O-SG 3.03Å; I61-V85 HydrophobicContact CD1-CB 4.42Å; I61-V85 HydrophobicContact CD1-CG1 4.04Å; I61-V85 HydrophobicContact CG1-CG1 4.11Å; I61-L88 HydrophobicContact CD1-CD1 3.5Å; I61-L88 VanDerWaalsContact CD1-CD1 3.5Å; I61-A100 HydrophobicContact CB-CB 4.4Å; I61-A100 HydrophobicContact CD1-CB 4.4Å; I61-A100 HydrophobicContact CG2-CB 3.94Å; I61-A100 WeakPolarHBondContact CG2-O 3.38Å; I61-V101 HydrophobicContact CD1-CG2 4.08Å; I61-L104 HydrophobicContact CG2-CB 3.8Å; I61-L104 HydrophobicContact CG2-CD2 4.21Å |
| 62 | G | 93.8 | Very high | 89.4 | Confident | 36 Ų | 36 | 49.8 Ų | 49.8 | 37% | 0.371 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.2 | -37.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I58 R59 M60 C65 | I58-G62 PolarHBondContact O-N 3.44Å; R59-G62 PolarHBondContact O-N 2.91Å; R59-G62 VanDerWaalsContact O-N 3.14Å; M60-G62 VanDerWaalsContact C-N 3.28Å; M60-G62 PolarHBondContact O-N 2.79Å; G62-C65 WeakPolarHBondContact O-CB 3.43Å; G62-C65 PolarHBondContact O-N 2.72Å |
| 63 | Q | 90.5 | Very high | 89.3 | Confident | 54 Ų | 54 | 48 Ų | 48 | 25% | 0.252 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -69.2 | -41.9 | 176.5 | -64.7 | 175.2 | -78.3 | 0 | 0 | 111.8 | R59 M60 I61 C65 E66 V67 | R59-Q63 PolarHBondContact O-N 3.17Å; R59-Q63 VanDerWaalsContact O-N 3.1Å; M60-Q63 WeakPolarHBondContact O-CB 3.45Å; M60-Q63 PolarHBondContact O-N 3.13Å; I61-Q63 VanDerWaalsContact C-N 3.28Å; I61-Q63 PolarHBondContact O-N 3.25Å; Q63-C65 VanDerWaalsContact C-N 3.27Å; Q63-C65 PolarHBondContact O-N 3.14Å; Q63-E66 PolarHBondContact O-N 2.92Å; Q63-V67 PolarHBondContact O-N 3.35Å |
| 64 | I | 91.1 | Very high | 89 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.5 | -33.1 | 178.1 | -61.9 | 164.4 | 0 | 0 | 0 | 110.8 | I44 L48 M60 I61 E66 V67 A68 F73 L81 L104 | I44-I64 HydrophobicContact CG2-CD1 3.67Å; I44-I64 HydrophobicContact CG2-CG1 4.23Å; L48-I64 HydrophobicContact CD1-CD1 3.61Å; L48-I64 HydrophobicContact CD2-CD1 4.2Å; L48-I64 HydrophobicContact CG-CD1 4.13Å; M60-I64 HydrophobicContact CG-CD1 3.93Å; M60-I64 WeakPolarHBondContact O-CG1 3.3Å; M60-I64 PolarHBondContact O-N 2.76Å; M60-I64 HydrophobicContact SD-CD1 4.14Å; M60-I64 HydrophobicContact SD-CG1 4.2Å; I61-I64 PolarHBondContact O-N 2.9Å; I64-E66 VanDerWaalsContact C-N 3.3Å; I64-E66 PolarHBondContact O-N 3.34Å; I64-V67 PolarHBondContact O-N 3.21Å; I64-A68 WeakPolarHBondContact O-CB 3.33Å; I64-A68 PolarHBondContact O-N 3.23Å; I64-F73 HydrophobicContact CG2-CZ 3.99Å; I64-L81 HydrophobicContact CD1-CD2 3.89Å; I64-L81 HydrophobicContact CG2-CD1 3.94Å; I64-L81 HydrophobicContact CG2-CD2 4.22Å; I64-L104 HydrophobicContact CB-CD1 4.13Å; I64-L104 HydrophobicContact CG2-CD1 3.63Å |
| 65 | C | 90.6 | Very high | 88.2 | Confident | 10 Ų | 10 | 52.4 Ų | 52.4 | 7% | 0.068 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -55.5 | -43.2 | 172.2 | -68.2 | 0 | 0 | 0 | 0 | 112.5 | I61 G62 Q63 V67 A68 K69 L104 A107 | I61-C65 PolarHBondContact O-N 3.03Å; I61-C65 PolarHBondContact O-SG 3.03Å; G62-C65 WeakPolarHBondContact O-CB 3.43Å; G62-C65 PolarHBondContact O-N 2.72Å; Q63-C65 VanDerWaalsContact C-N 3.27Å; Q63-C65 PolarHBondContact O-N 3.14Å; C65-V67 VanDerWaalsContact C-N 3.34Å; C65-A68 PolarHBondContact O-N 2.98Å; C65-K69 WeakPolarHBondContact O-CG 3.44Å; C65-K69 PolarHBondContact O-N 3.19Å; C65-L104 WeakPolarHBondContact SG-CA 3.32Å; C65-A107 HydrophobicContact CB-CB 4.04Å |
| 66 | E | 90.1 | Very high | 87.7 | Confident | 94 Ų | 94 | 52 Ų | 52 | 44% | 0.439 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -68.4 | -35.6 | 179.8 | -61.9 | -48.4 | 120.8 | 0 | 0 | 112 | Q63 I64 K69 T70 | Q63-E66 PolarHBondContact O-N 2.92Å; I64-E66 VanDerWaalsContact C-N 3.3Å; I64-E66 PolarHBondContact O-N 3.34Å; E66-K69 IonicContact OE1-NZ 3.7Å; E66-K69 PolarHBondContact OE1-NZ 2.87Å; E66-K69 IonicContact OE2-NZ 2.85Å; E66-K69 PolarHBondContact OE2-NZ 3.29Å; E66-T70 PolarHBondContact O-OG1 2.96Å |
| 67 | V | 88.7 | Confident | 87.4 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.6 | -44.2 | 174.8 | -171.9 | 0 | 0 | 0 | 0 | 110.7 | L19 F38 Q63 I64 C65 K69 T70 K71 F73 | L19-V67 HydrophobicContact CB-CG2 4.5Å; L19-V67 HydrophobicContact CD1-CG2 3.75Å; L19-V67 HydrophobicContact CD2-CG2 3.62Å; L19-V67 HydrophobicContact CG-CG2 4.15Å; F38-V67 HydrophobicContact CB-CG1 4.3Å; F38-V67 HydrophobicContact CD1-CG1 3.58Å; F38-V67 HydrophobicContact CD2-CG1 3.92Å; F38-V67 HydrophobicContact CE1-CG1 3.8Å; F38-V67 HydrophobicContact CE2-CG1 4.17Å; F38-V67 HydrophobicContact CG-CG1 3.63Å; F38-V67 HydrophobicContact CZ-CG1 4.13Å; Q63-V67 PolarHBondContact O-N 3.35Å; I64-V67 PolarHBondContact O-N 3.21Å; C65-V67 VanDerWaalsContact C-N 3.34Å; V67-K69 PolarHBondContact O-N 3.17Å; V67-K69 VanDerWaalsContact O-N 3.16Å; V67-T70 PolarHBondContact O-N 3.4Å; V67-T70 PolarHBondContact O-OG1 3.01Å; V67-K71 HydrophobicContact CG1-CB 4.16Å; V67-K71 HydrophobicContact CG1-CD 4.24Å; V67-K71 HydrophobicContact CG1-CG 4.36Å; V67-K71 PolarHBondContact O-N 3.16Å; V67-F73 HydrophobicContact CB-CE1 4.4Å; V67-F73 HydrophobicContact CG1-CE1 3.97Å |
| 68 | A | 86.6 | Confident | 86.9 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.3 | -29.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | I64 C65 F73 A107 I108 G111 Q112 | I64-A68 WeakPolarHBondContact O-CB 3.33Å; I64-A68 PolarHBondContact O-N 3.23Å; C65-A68 PolarHBondContact O-N 2.98Å; A68-F73 HydrophobicContact CB-CE1 4.38Å; A68-F73 HydrophobicContact CB-CE2 4.01Å; A68-F73 HydrophobicContact CB-CZ 3.59Å; A68-A107 HydrophobicContact CB-CB 4.12Å; A68-I108 HydrophobicContact CB-CG1 4Å; A68-G111 WeakPolarHBondContact O-CA 3.35Å; A68-Q112 PolarHBondContact O-NE2 2.89Å |
| 69 | K | 82.8 | Confident | 86.4 | Confident | 102 Ų | 102 | 52.6 Ų | 52.6 | 44% | 0.443 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -76.1 | -26.8 | 176.9 | -69.1 | 167.4 | -172.2 | 169.8 | 0 | 113.6 | C65 E66 V67 A107 | C65-K69 WeakPolarHBondContact O-CG 3.44Å; C65-K69 PolarHBondContact O-N 3.19Å; E66-K69 IonicContact OE1-NZ 3.7Å; E66-K69 PolarHBondContact OE1-NZ 2.87Å; E66-K69 IonicContact OE2-NZ 2.85Å; E66-K69 PolarHBondContact OE2-NZ 3.29Å; V67-K69 PolarHBondContact O-N 3.17Å; V67-K69 VanDerWaalsContact O-N 3.16Å; K69-A107 HydrophobicContact CG-CB 4.24Å |
| 70 | T | 78.6 | Confident | 86.2 | Confident | 105 Ų | 105 | 47.2 Ų | 47.2 | 64% | 0.644 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -115.8 | -24.2 | -165.6 | 53.6 | 0 | 0 | 0 | 0 | 113.8 | E66 V67 | E66-T70 PolarHBondContact O-OG1 2.96Å; V67-T70 PolarHBondContact O-N 3.4Å; V67-T70 PolarHBondContact O-OG1 3.01Å |
| 71 | K | 82.3 | Confident | 86 | Confident | 70 Ų | 70 | 47.1 Ų | 47.1 | 30% | 0.304 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -127.5 | 147.8 | -177.7 | -57.6 | -167.3 | -177.4 | 179.8 | 0 | 111 | L19 F38 V67 Q112 | L19-K71 PolarHBondContact O-NZ 2.94Å; F38-K71 HydrophobicContact CB-CB 3.94Å; F38-K71 HydrophobicContact CB-CD 4.18Å; F38-K71 HydrophobicContact CD2-CD 4.15Å; F38-K71 HydrophobicContact CG-CD 4.46Å; V67-K71 HydrophobicContact CG1-CB 4.16Å; V67-K71 HydrophobicContact CG1-CD 4.24Å; V67-K71 HydrophobicContact CG1-CG 4.36Å; V67-K71 PolarHBondContact O-N 3.16Å; K71-Q112 PolarHBondContact O-NE2 3.2Å |
| 72 | K | 80.4 | Confident | 85.7 | Confident | 38 Ų | 38 | 52.6 Ų | 52.6 | 17% | 0.165 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -76 | 140.6 | 170.4 | -63.9 | -63.3 | -174.5 | 176.6 | 0 | 109.5 | Q35 E37 F38 G111 Q112 E114 | Q35-K72 VanDerWaalsContact OE1-CG 3.23Å; E37-K72 CarbonylContact C-O 3.58Å; E37-K72 WeakPolarHBondContact CA-O 3.46Å; F38-K72 WeakPolarHBondContact CB-O 3.45Å; F38-K72 PolarHBondContact N-O 2.98Å; K72-G111 PolarHBondContact NZ-O 3.4Å; K72-G111 VanDerWaalsContact NZ-O 3.12Å; K72-Q112 VanDerWaalsContact CA-OE1 3.31Å; K72-E114 IonicContact NZ-OE2 3.73Å; K72-E114 PolarHBondContact NZ-OE2 3.49Å |
| 73 | F | 84.2 | Confident | 85.5 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.009 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -85.7 | 152.5 | 174.1 | -68.8 | -19.1 | 0 | 0 | 0 | 111.5 | F38 I40 I64 V67 A68 A77 V78 L81 I108 Q112 R115 | F38-F73 HydrophobicContact CB-CD1 4.2Å; F38-F73 AromaticContact CD1-CD1 3.83Å; F38-F73 HydrophobicContact CD1-CD1 3.83Å; F38-F73 AromaticContact CD1-CE1 3.74Å; F38-F73 HydrophobicContact CD1-CE1 3.74Å; F38-F73 HydrophobicContact CE1-CE1 4.44Å; F38-F73 HydrophobicContact CG-CD1 4.48Å; I40-F73 HydrophobicContact CD1-CE1 4.32Å; I40-F73 HydrophobicContact CD1-CZ 4.37Å; I64-F73 HydrophobicContact CG2-CZ 3.99Å; V67-F73 HydrophobicContact CB-CE1 4.4Å; V67-F73 HydrophobicContact CG1-CE1 3.97Å; A68-F73 HydrophobicContact CB-CE1 4.38Å; A68-F73 HydrophobicContact CB-CE2 4.01Å; A68-F73 HydrophobicContact CB-CZ 3.59Å; F73-A77 HydrophobicContact CB-CB 3.82Å; F73-A77 HydrophobicContact CG-CB 4.36Å; F73-V78 HydrophobicContact CD2-CG2 4Å; F73-L81 HydrophobicContact CD2-CD1 4.21Å; F73-L81 HydrophobicContact CE2-CD1 3.6Å; F73-L81 HydrophobicContact CZ-CD1 4.19Å; F73-I108 HydrophobicContact CE2-CD1 4.29Å; F73-I108 HydrophobicContact CE2-CG1 3.99Å; F73-Q112 HydrophobicContact CD2-CG 4.49Å; F73-R115 PolarHBondContact O-NH1 3.19Å |
| 74 | E | 84.5 | Confident | 85.4 | Confident | 54 Ų | 54 | 57 Ų | 57 | 25% | 0.252 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -61 | 170.1 | 169.4 | 65.3 | 179.5 | 162.2 | 0 | 0 | 112.5 | F38 I39 I40 A77 | F38-E74 PolarHBondContact O-N 2.94Å; I39-E74 WeakPolarHBondContact CG2-OE1 2.83Å; I39-E74 WeakPolarHBondContact CG2-OE2 3.43Å; I40-E74 PolarHBondContact N-OE1 3.11Å; E74-A77 HydrophobicContact CG-CB 3.62Å; E74-A77 WeakPolarHBondContact O-CB 3.23Å; E74-A77 PolarHBondContact O-N 3.36Å |
| 75 | E | 75.1 | Confident | 85.5 | Confident | 133 Ų | 133 | 57 Ų | 57 | 62% | 0.621 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 141.5 | 171.2 | -157.6 | 171.1 | -164.1 | 0 | 0 | 111.6 | A77 | E75-A77 PolarHBondContact O-N 2.85Š|
| 76 | H | 81.3 | Confident | 85.3 | Confident | 116 Ų | 116 | 57.9 Ų | 57.9 | 54% | 0.537 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | -8.2 | -175.9 | -52.8 | -69.5 | 0 | 0 | 0 | 118.2 | V78 E79 A80 | H76-V78 VanDerWaalsContact C-N 3.29Å; H76-V78 PolarHBondContact O-N 2.81Å; H76-E79 IonicContact CE1-OE2 3.98Å; H76-E79 IonicContact CG-OE2 3.68Å; H76-E79 IonicContact ND1-OE2 3.47Å; H76-E79 PolarHBondContact ND1-OE2 3.38Å; H76-E79 WeakPolarHBondContact O-CB 3.09Å; H76-E79 PolarHBondContact O-N 3.02Å; H76-A80 PolarHBondContact O-N 2.95Å |
| 77 | A | 85.8 | Confident | 85.3 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 2% | 0.017 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55.4 | -41 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | I40 F73 E74 E75 E79 A80 L81 | I40-A77 HydrophobicContact CB-CB 4.1Å; I40-A77 HydrophobicContact CG1-CB 3.52Å; F73-A77 HydrophobicContact CB-CB 3.82Å; F73-A77 HydrophobicContact CG-CB 4.36Å; E74-A77 HydrophobicContact CG-CB 3.62Å; E74-A77 WeakPolarHBondContact O-CB 3.23Å; E74-A77 PolarHBondContact O-N 3.36Å; E75-A77 PolarHBondContact O-N 2.85Å; A77-E79 VanDerWaalsContact C-N 3.33Å; A77-E79 PolarHBondContact O-N 3.12Å; A77-A80 PolarHBondContact O-N 3.45Å; A77-L81 WeakPolarHBondContact O-CB 3.34Å; A77-L81 VanDerWaalsContact O-CG 3.3Å; A77-L81 WeakPolarHBondContact O-CG 3.49Å; A77-L81 PolarHBondContact O-N 2.88Å |
| 78 | V | 84.8 | Confident | 85.3 | Confident | 29 Ų | 29 | 54.8 Ų | 54.8 | 18% | 0.176 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 177.3 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | F73 H76 W82 I108 L119 | F73-V78 HydrophobicContact CD2-CG2 4Å; H76-V78 VanDerWaalsContact C-N 3.29Å; H76-V78 PolarHBondContact O-N 2.81Å; V78-W82 WeakPolarHBondContact O-CB 3.19Å; V78-W82 PolarHBondContact O-N 2.69Å; V78-I108 HydrophobicContact CG1-CG2 4.14Å; V78-I108 HydrophobicContact CG2-CG2 3.83Å; V78-L119 HydrophobicContact CG1-CD1 4.44Å |
| 79 | E | 83.9 | Confident | 85.4 | Confident | 109 Ų | 109 | 57.3 Ų | 57.3 | 51% | 0.509 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.6 | -42.2 | 177.8 | -60.6 | 179.9 | 163.7 | 0 | 0 | 111.2 | H76 A77 W82 K83 | H76-E79 IonicContact CE1-OE2 3.98Å; H76-E79 IonicContact CG-OE2 3.68Å; H76-E79 IonicContact ND1-OE2 3.47Å; H76-E79 PolarHBondContact ND1-OE2 3.38Å; H76-E79 WeakPolarHBondContact O-CB 3.09Å; H76-E79 PolarHBondContact O-N 3.02Å; A77-E79 VanDerWaalsContact C-N 3.33Å; A77-E79 PolarHBondContact O-N 3.12Å; E79-W82 PolarHBondContact O-N 2.97Å; E79-K83 WeakPolarHBondContact O-CG 3.46Å; E79-K83 PolarHBondContact O-N 2.91Å |
| 80 | A | 87.6 | Confident | 85.5 | Confident | 30 Ų | 30 | 57.2 Ų | 57.2 | 25% | 0.248 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L45 H76 A77 W82 K83 A84 | L45-A80 HydrophobicContact CD1-CB 4.03Å; L45-A80 HydrophobicContact CD2-CB 4.13Å; H76-A80 PolarHBondContact O-N 2.95Å; A77-A80 PolarHBondContact O-N 3.45Å; A80-W82 PolarHBondContact O-N 3.44Å; A80-K83 PolarHBondContact O-N 3.28Å; A80-A84 WeakPolarHBondContact O-CB 3.4Å; A80-A84 PolarHBondContact O-N 3.12Å |
| 81 | L | 89.8 | Confident | 85.5 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.9 | -45.5 | 174.6 | -75.6 | 173.5 | 0 | 0 | 0 | 111.6 | I40 L45 L48 I64 F73 A77 K83 A84 V85 I108 | I40-L81 HydrophobicContact CD1-CD1 3.95Å; I40-L81 HydrophobicContact CD1-CD2 4.24Å; I40-L81 HydrophobicContact CD1-CG 4.27Å; I40-L81 HydrophobicContact CG1-CD1 4.23Å; I40-L81 HydrophobicContact CG1-CG 4.35Å; I40-L81 HydrophobicContact CG2-CD2 4.17Å; I40-L81 HydrophobicContact CG2-CG 4.35Å; L45-L81 HydrophobicContact CD2-CD2 4.45Å; L48-L81 HydrophobicContact CD1-CD2 3.57Å; I64-L81 HydrophobicContact CD1-CD2 3.89Å; I64-L81 HydrophobicContact CG2-CD1 3.94Å; I64-L81 HydrophobicContact CG2-CD2 4.22Å; F73-L81 HydrophobicContact CD2-CD1 4.21Å; F73-L81 HydrophobicContact CE2-CD1 3.6Å; F73-L81 HydrophobicContact CZ-CD1 4.19Å; A77-L81 WeakPolarHBondContact O-CB 3.34Å; A77-L81 VanDerWaalsContact O-CG 3.3Å; A77-L81 WeakPolarHBondContact O-CG 3.49Å; A77-L81 PolarHBondContact O-N 2.88Å; L81-K83 PolarHBondContact O-N 2.82Å; L81-A84 PolarHBondContact O-N 3.25Å; L81-A84 VanDerWaalsContact O-N 3.17Å; L81-V85 WeakPolarHBondContact O-CG2 3.21Å; L81-V85 PolarHBondContact O-N 3.43Å; L81-V85 VanDerWaalsContact O-N 3.12Å; L81-I108 HydrophobicContact CD1-CD1 4.3Å |
| 82 | W | 88.4 | Confident | 85.8 | Confident | 115 Ų | 115 | 60.6 Ų | 60.6 | 44% | 0.436 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.1 | -49.8 | 177.2 | 172.8 | -113.8 | 0 | 0 | 0 | 111.7 | V78 E79 A80 A84 V85 A86 L89 L105 | V78-W82 WeakPolarHBondContact O-CB 3.19Å; V78-W82 PolarHBondContact O-N 2.69Å; E79-W82 PolarHBondContact O-N 2.97Å; A80-W82 PolarHBondContact O-N 3.44Å; W82-A84 PolarHBondContact O-N 3.08Å; W82-V85 PolarHBondContact O-N 2.96Å; W82-A86 HydrophobicContact CD2-CB 4.28Å; W82-A86 HydrophobicContact CH2-CB 4.29Å; W82-A86 HydrophobicContact CZ2-CB 4.03Å; W82-A86 VanDerWaalsContact O-CB 3.3Å; W82-A86 WeakPolarHBondContact O-CB 3.29Å; W82-A86 PolarHBondContact O-N 3.33Å; W82-L89 HydrophobicContact CH2-CD1 3.57Å; W82-L89 HydrophobicContact CZ3-CD1 3.54Å; W82-L105 HydrophobicContact CE3-CD2 4.32Å; W82-L105 HydrophobicContact CZ3-CD1 4.29Å |
| 83 | K | 87.8 | Confident | 86 | Confident | 166 Ų | 166 | 63.1 Ų | 63.1 | 72% | 0.722 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -57.7 | -36.9 | 177 | -71.1 | 175.9 | -175.2 | 173.5 | 0 | 112 | E79 A80 L81 | E79-K83 WeakPolarHBondContact O-CG 3.46Å; E79-K83 PolarHBondContact O-N 2.91Å; A80-K83 PolarHBondContact O-N 3.28Å; L81-K83 PolarHBondContact O-N 2.82Å |
| 84 | A | 89.6 | Confident | 86.3 | Confident | 18 Ų | 18 | 65.7 Ų | 65.7 | 15% | 0.149 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -74.8 | -23.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L45 L48 R57 A80 L81 W82 | L45-A84 HydrophobicContact CD2-CB 4.16Å; L48-A84 HydrophobicContact CB-CB 4.02Å; L48-A84 HydrophobicContact CD1-CB 4.25Å; R57-A84 PolarHBondContact NH2-O 3.07Å; A80-A84 WeakPolarHBondContact O-CB 3.4Å; A80-A84 PolarHBondContact O-N 3.12Å; L81-A84 PolarHBondContact O-N 3.25Å; L81-A84 VanDerWaalsContact O-N 3.17Å; W82-A84 PolarHBondContact O-N 3.08Å |
| 85 | V | 92.1 | Very high | 86.6 | Confident | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.006 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -119.2 | -6.5 | -173.7 | -51.8 | 0 | 0 | 0 | 0 | 114.9 | L48 I61 L81 W82 D87 L88 V101 L104 | L48-V85 HydrophobicContact CD1-CG1 4.19Å; L48-V85 HydrophobicContact CD2-CG1 4.04Å; I61-V85 HydrophobicContact CD1-CB 4.42Å; I61-V85 HydrophobicContact CD1-CG1 4.04Å; I61-V85 HydrophobicContact CG1-CG1 4.11Å; L81-V85 WeakPolarHBondContact O-CG2 3.21Å; L81-V85 PolarHBondContact O-N 3.43Å; L81-V85 VanDerWaalsContact O-N 3.12Å; W82-V85 PolarHBondContact O-N 2.96Å; V85-D87 PolarHBondContact O-N 3.14Å; V85-L88 HydrophobicContact CB-CD1 4.47Å; V85-L88 WeakPolarHBondContact O-CB 3.41Å; V85-L88 PolarHBondContact O-N 3.2Å; V85-V101 HydrophobicContact CB-CG2 4.01Å; V85-V101 HydrophobicContact CG2-CG1 3.83Å; V85-V101 HydrophobicContact CG2-CG2 4.1Å; V85-L104 HydrophobicContact CG2-CD2 4.39Å |
| 86 | A | 88 | Confident | 87.4 | Confident | 28 Ų | 28 | 65.8 Ų | 65.8 | 23% | 0.231 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -59.3 | -30.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | W82 L88 L89 | W82-A86 HydrophobicContact CD2-CB 4.28Å; W82-A86 HydrophobicContact CH2-CB 4.29Å; W82-A86 HydrophobicContact CZ2-CB 4.03Å; W82-A86 VanDerWaalsContact O-CB 3.3Å; W82-A86 WeakPolarHBondContact O-CB 3.29Å; W82-A86 PolarHBondContact O-N 3.33Å; A86-L88 PolarHBondContact O-N 3.1Å; A86-L89 PolarHBondContact O-N 3.48Å |
| 87 | D | 89.6 | Confident | 87.8 | Confident | 31 Ų | 31 | 60.2 Ų | 60.2 | 17% | 0.166 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -68.4 | -16.3 | 177.5 | 75.9 | -66.6 | 0 | 0 | 0 | 113.5 | R57 V85 L89 Q90 R93 | R57-D87 IonicContact CZ-OD1 3.85Å; R57-D87 IonicContact CZ-OD2 3.36Å; R57-D87 IonicContact NH1-OD1 2.97Å; R57-D87 PolarHBondContact NH1-OD1 3.31Å; R57-D87 IonicContact NH1-OD2 2.69Å; R57-D87 PolarHBondContact NH1-OD2 3.37Å; R57-D87 IonicContact NH2-OD1 2.71Å; R57-D87 PolarHBondContact NH2-OD1 2.96Å; R57-D87 IonicContact NH2-OD2 3.44Å; V85-D87 PolarHBondContact O-N 3.14Å; D87-L89 VanDerWaalsContact C-N 3.28Å; D87-Q90 VanDerWaalsContact O-CG 3.28Å; D87-Q90 WeakPolarHBondContact O-CG 3.35Å; D87-R93 WeakPolarHBondContact O-CG 3.33Å; D87-R93 PolarHBondContact O-NE 2.84Å; D87-R93 VanDerWaalsContact O-NE 3.15Å; D87-R93 IonicContact OD2-CZ 3.8Å; D87-R93 IonicContact OD2-NE 3.25Å; D87-R93 IonicContact OD2-NH2 2.56Å; D87-R93 PolarHBondContact OD2-NH2 3.11Å |
| 88 | L | 88.3 | Confident | 88.1 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -79.4 | -12.8 | 176.6 | -61.8 | -179.4 | 0 | 0 | 0 | 112.7 | L54 R57 I61 V85 A86 Q90 R93 A97 R98 V101 | L54-L88 HydrophobicContact CD1-CD2 3.35Å; R57-L88 HydrophobicContact CB-CD1 4.37Å; R57-L88 VanDerWaalsContact NH1-CD2 3.27Å; I61-L88 HydrophobicContact CD1-CD1 3.5Å; I61-L88 VanDerWaalsContact CD1-CD1 3.5Å; V85-L88 HydrophobicContact CB-CD1 4.47Å; V85-L88 WeakPolarHBondContact O-CB 3.41Å; V85-L88 PolarHBondContact O-N 3.2Å; A86-L88 PolarHBondContact O-N 3.1Å; L88-Q90 VanDerWaalsContact C-N 3.33Å; L88-R93 WeakPolarHBondContact O-CB 3.47Å; L88-A97 HydrophobicContact CB-CB 4.44Å; L88-A97 HydrophobicContact CD2-CB 4.44Å; L88-R98 WeakPolarHBondContact O-CG 3.36Å; L88-V101 HydrophobicContact CB-CG2 3.67Å; L88-V101 HydrophobicContact CD1-CG2 4.05Å; L88-V101 HydrophobicContact CG-CG2 4.47Å |
| 89 | L | 87.8 | Confident | 88.5 | Confident | 53 Ų | 53 | 68.3 Ų | 68.3 | 28% | 0.277 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -84.5 | -4.2 | 176.1 | -71.9 | 173.2 | 0 | 0 | 0 | 113.9 | W82 A86 D87 V101 L102 | W82-L89 HydrophobicContact CH2-CD1 3.57Å; W82-L89 HydrophobicContact CZ3-CD1 3.54Å; A86-L89 PolarHBondContact O-N 3.48Å; D87-L89 VanDerWaalsContact C-N 3.28Å; L89-V101 HydrophobicContact CD1-CG1 3.8Å; L89-V101 HydrophobicContact CD2-CB 3.94Å; L89-V101 HydrophobicContact CD2-CG1 3.92Å; L89-V101 HydrophobicContact CG-CB 4.13Å; L89-V101 HydrophobicContact CG-CG1 3.76Å; L89-L102 HydrophobicContact CD2-CD2 4.29Å; L89-L102 HydrophobicContact CD2-CG 4.25Å |
| 90 | Q | 86.6 | Confident | 88.9 | Confident | 100 Ų | 100 | 63.9 Ų | 63.9 | 47% | 0.467 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -61 | 141.8 | 178.8 | -59 | -59 | -40.6 | 0 | 0 | 110.8 | D87 L88 E92 R93 | D87-Q90 VanDerWaalsContact O-CG 3.28Å; D87-Q90 WeakPolarHBondContact O-CG 3.35Å; L88-Q90 VanDerWaalsContact C-N 3.33Å; Q90-E92 PolarHBondContact O-N 3.3Å; Q90-E92 VanDerWaalsContact O-N 3.15Å; Q90-R93 HydrophobicContact CB-CG 3.96Å; Q90-R93 VanDerWaalsContact O-CB 3.26Å; Q90-R93 WeakPolarHBondContact O-CB 3.39Å; Q90-R93 PolarHBondContact O-N 3.42Å |
| 91 | P | 77.8 | Confident | 89.1 | Confident | 88 Ų | 88 | 62.4 Ų | 62.4 | 57% | 0.571 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -23.4 | -174.5 | 20.2 | -27.6 | 0 | 0 | 0 | 113.9 | R93 | P91-R93 VanDerWaalsContact C-N 3.28Š|
| 92 | E | 89.4 | Confident | 89.1 | Confident | 157 Ų | 157 | 66.4 Ų | 66.4 | 73% | 0.734 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -17.1 | 175.6 | -61.2 | 68.8 | -148.7 | 0 | 0 | 112.5 | Q90 | Q90-E92 PolarHBondContact O-N 3.3Å; Q90-E92 VanDerWaalsContact O-N 3.15Å |
| 93 | R | 83.8 | Confident | 89.1 | Confident | 92 Ų | 92 | 63.2 Ų | 63.2 | 35% | 0.347 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -74.7 | 144 | 178.1 | -61.4 | -70.6 | -164.1 | -167.2 | 7 | 110 | D87 L88 Q90 P91 R98 | D87-R93 WeakPolarHBondContact O-CG 3.33Å; D87-R93 PolarHBondContact O-NE 2.84Å; D87-R93 VanDerWaalsContact O-NE 3.15Å; D87-R93 IonicContact OD2-CZ 3.8Å; D87-R93 IonicContact OD2-NE 3.25Å; D87-R93 IonicContact OD2-NH2 2.56Å; D87-R93 PolarHBondContact OD2-NH2 3.11Å; L88-R93 WeakPolarHBondContact O-CB 3.47Å; Q90-R93 HydrophobicContact CB-CG 3.96Å; Q90-R93 VanDerWaalsContact O-CB 3.26Å; Q90-R93 WeakPolarHBondContact O-CB 3.39Å; Q90-R93 PolarHBondContact O-N 3.42Å; P91-R93 VanDerWaalsContact C-N 3.28Å; R93-R98 HydrophobicContact CB-CG 4.34Å; R93-R98 PolarHBondContact O-NE 3.49Å |
| 94 | P | 91.4 | Very high | 89.2 | Confident | 55 Ų | 55 | 55.4 Ų | 55.4 | 36% | 0.357 | 29% | 0.289 | S | S | . | . | trans | -62.2 | 154.4 | -179.7 | 30 | -36.7 | 0 | 0 | 0 | 110.9 | L54 E96 A97 R98 | L54-P94 HydrophobicContact CD2-CG 3.35Å; P94-E96 WeakPolarHBondContact CB-OE2 3.48Å; P94-E96 PolarHBondContact O-N 3.19Å; P94-A97 HydrophobicContact CG-CB 4.23Å; P94-A97 PolarHBondContact O-N 3.48Å; P94-A97 VanDerWaalsContact O-N 3.17Å; P94-R98 PolarHBondContact O-N 2.89Å | ||
| 95 | L | 89.4 | Confident | 89.1 | Confident | 84 Ų | 84 | 55.7 Ų | 55.7 | 44% | 0.44 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.2 | -33.9 | -171 | 74.2 | 90.1 | 0 | 0 | 0 | 111.6 | A97 R98 H99 | L95-A97 VanDerWaalsContact C-N 3.31Å; L95-A97 PolarHBondContact O-N 3.21Å; L95-R98 PolarHBondContact O-N 2.86Å; L95-H99 VanDerWaalsContact CD1-CE1 3.42Å; L95-H99 WeakPolarHBondContact CD1-CE1 3.49Å; L95-H99 WeakPolarHBondContact CD1-ND1 3.28Å; L95-H99 WeakPolarHBondContact O-CB 3.3Å; L95-H99 PolarHBondContact O-CD2 3.2Å; L95-H99 PolarHBondContact O-N 3.36Å |
| 96 | E | 92.8 | Very high | 88.7 | Confident | 105 Ų | 105 | 61.9 Ų | 61.9 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.5 | -41.6 | -178.7 | -60.6 | 77.8 | -170.8 | 0 | 0 | 110.9 | I58 P94 A100 | I58-E96 HydrophobicContact CD1-CB 4.29Å; P94-E96 WeakPolarHBondContact CB-OE2 3.48Å; P94-E96 PolarHBondContact O-N 3.19Å; E96-A100 WeakPolarHBondContact O-CB 3.46Å; E96-A100 PolarHBondContact O-N 3.15Å |
| 97 | A | 89.6 | Confident | 88.6 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66 | -45.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L54 I58 L88 P94 L95 A100 V101 | L54-A97 HydrophobicContact CD1-CB 3.86Å; L54-A97 HydrophobicContact CD2-CB 4.43Å; L54-A97 HydrophobicContact CG-CB 4.43Å; I58-A97 HydrophobicContact CD1-CB 3.98Å; I58-A97 HydrophobicContact CG1-CB 4.26Å; L88-A97 HydrophobicContact CB-CB 4.44Å; L88-A97 HydrophobicContact CD2-CB 4.44Å; P94-A97 HydrophobicContact CG-CB 4.23Å; P94-A97 PolarHBondContact O-N 3.48Å; P94-A97 VanDerWaalsContact O-N 3.17Å; L95-A97 VanDerWaalsContact C-N 3.31Å; L95-A97 PolarHBondContact O-N 3.21Å; A97-A100 PolarHBondContact O-N 3.2Å; A97-V101 PolarHBondContact O-N 3.26Å |
| 98 | R | 91.8 | Very high | 88.4 | Confident | 89 Ų | 89 | 59.3 Ų | 59.3 | 34% | 0.336 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 177.8 | -67.4 | -174.5 | -79.7 | 153.6 | 0.1 | 111.1 | L88 R93 P94 L95 A100 V101 L102 | L88-R98 WeakPolarHBondContact O-CG 3.36Å; R93-R98 HydrophobicContact CB-CG 4.34Å; R93-R98 PolarHBondContact O-NE 3.49Å; P94-R98 PolarHBondContact O-N 2.89Å; L95-R98 PolarHBondContact O-N 2.86Å; R98-A100 PolarHBondContact O-N 3.33Å; R98-V101 PolarHBondContact O-N 3.15Å; R98-L102 WeakPolarHBondContact O-CG 3.26Å; R98-L102 PolarHBondContact O-N 3.32Å; R98-L102 VanDerWaalsContact O-N 3.09Å |
| 99 | H | 92.3 | Very high | 87.9 | Confident | 112 Ų | 112 | 61.6 Ų | 61.6 | 52% | 0.519 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.2 | -39.2 | 176.6 | -70.3 | 175.6 | 0 | 0 | 0 | 112.6 | L95 V101 L102 A103 | L95-H99 VanDerWaalsContact CD1-CE1 3.42Å; L95-H99 WeakPolarHBondContact CD1-CE1 3.49Å; L95-H99 WeakPolarHBondContact CD1-ND1 3.28Å; L95-H99 WeakPolarHBondContact O-CB 3.3Å; L95-H99 PolarHBondContact O-CD2 3.2Å; L95-H99 PolarHBondContact O-N 3.36Å; H99-V101 PolarHBondContact O-N 3.43Å; H99-L102 PolarHBondContact O-N 3.27Å; H99-A103 WeakPolarHBondContact O-CB 3.4Å; H99-A103 PolarHBondContact O-N 3.17Å |
| 100 | A | 92.8 | Very high | 87.5 | Confident | 15 Ų | 15 | 65.1 Ų | 65.1 | 12% | 0.124 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I58 I61 E96 A97 R98 A103 L104 | I58-A100 HydrophobicContact CG1-CB 4.39Å; I58-A100 HydrophobicContact CG2-CB 4.07Å; I61-A100 HydrophobicContact CB-CB 4.4Å; I61-A100 HydrophobicContact CD1-CB 4.4Å; I61-A100 HydrophobicContact CG2-CB 3.94Å; I61-A100 WeakPolarHBondContact CG2-O 3.38Å; E96-A100 WeakPolarHBondContact O-CB 3.46Å; E96-A100 PolarHBondContact O-N 3.15Å; A97-A100 PolarHBondContact O-N 3.2Å; R98-A100 PolarHBondContact O-N 3.33Å; A100-A103 WeakPolarHBondContact O-CB 3.2Å; A100-A103 PolarHBondContact O-N 3.4Å; A100-L104 PolarHBondContact O-N 2.97Å |
| 101 | V | 91.9 | Very high | 87 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 177.1 | 178.3 | 0 | 0 | 0 | 0 | 111.8 | I61 V85 L88 L89 A97 R98 H99 A103 L104 L105 | I61-V101 HydrophobicContact CD1-CG2 4.08Å; V85-V101 HydrophobicContact CB-CG2 4.01Å; V85-V101 HydrophobicContact CG2-CG1 3.83Å; V85-V101 HydrophobicContact CG2-CG2 4.1Å; L88-V101 HydrophobicContact CB-CG2 3.67Å; L88-V101 HydrophobicContact CD1-CG2 4.05Å; L88-V101 HydrophobicContact CG-CG2 4.47Å; L89-V101 HydrophobicContact CD1-CG1 3.8Å; L89-V101 HydrophobicContact CD2-CB 3.94Å; L89-V101 HydrophobicContact CD2-CG1 3.92Å; L89-V101 HydrophobicContact CG-CB 4.13Å; L89-V101 HydrophobicContact CG-CG1 3.76Å; A97-V101 PolarHBondContact O-N 3.26Å; R98-V101 PolarHBondContact O-N 3.15Å; H99-V101 PolarHBondContact O-N 3.43Å; V101-A103 VanDerWaalsContact C-N 3.29Å; V101-A103 PolarHBondContact O-N 3.3Å; V101-L104 WeakPolarHBondContact O-CB 3.1Å; V101-L104 PolarHBondContact O-N 3.48Å; V101-L104 VanDerWaalsContact O-N 3.16Å; V101-L105 HydrophobicContact CG1-CD1 4.43Å; V101-L105 WeakPolarHBondContact O-CG 3.25Å; V101-L105 PolarHBondContact O-N 3.01Å |
| 102 | L | 89.1 | Confident | 86.7 | Confident | 85 Ų | 85 | 57.2 Ų | 57.2 | 45% | 0.445 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.7 | -37.5 | 177.2 | -66.7 | 172.5 | 0 | 0 | 0 | 112 | L89 R98 H99 L105 K106 | L89-L102 HydrophobicContact CD2-CD2 4.29Å; L89-L102 HydrophobicContact CD2-CG 4.25Å; R98-L102 WeakPolarHBondContact O-CG 3.26Å; R98-L102 PolarHBondContact O-N 3.32Å; R98-L102 VanDerWaalsContact O-N 3.09Å; H99-L102 PolarHBondContact O-N 3.27Å; L102-L105 PolarHBondContact O-N 3.36Å; L102-K106 WeakPolarHBondContact O-CB 3.17Å; L102-K106 PolarHBondContact O-N 3Å |
| 103 | A | 89.3 | Confident | 85.3 | Confident | 49 Ų | 49 | 51.2 Ų | 51.2 | 41% | 0.405 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.1 | -39.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | H99 A100 V101 K106 A107 | H99-A103 WeakPolarHBondContact O-CB 3.4Å; H99-A103 PolarHBondContact O-N 3.17Å; A100-A103 WeakPolarHBondContact O-CB 3.2Å; A100-A103 PolarHBondContact O-N 3.4Å; V101-A103 VanDerWaalsContact C-N 3.29Å; V101-A103 PolarHBondContact O-N 3.3Å; A103-K106 PolarHBondContact O-N 3.4Å; A103-A107 WeakPolarHBondContact O-CB 3.43Å; A103-A107 PolarHBondContact O-N 2.88Å |
| 104 | L | 89.9 | Confident | 84.1 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.8 | -48.8 | 174.1 | 176.6 | 63.3 | 0 | 0 | 0 | 112 | I61 I64 C65 V85 A100 V101 K106 A107 I108 | I61-L104 HydrophobicContact CG2-CB 3.8Å; I61-L104 HydrophobicContact CG2-CD2 4.21Å; I64-L104 HydrophobicContact CB-CD1 4.13Å; I64-L104 HydrophobicContact CG2-CD1 3.63Å; C65-L104 WeakPolarHBondContact SG-CA 3.32Å; V85-L104 HydrophobicContact CG2-CD2 4.39Å; A100-L104 PolarHBondContact O-N 2.97Å; V101-L104 WeakPolarHBondContact O-CB 3.1Å; V101-L104 PolarHBondContact O-N 3.48Å; V101-L104 VanDerWaalsContact O-N 3.16Å; L104-K106 VanDerWaalsContact C-N 3.27Å; L104-K106 PolarHBondContact O-N 3.3Å; L104-A107 PolarHBondContact O-N 3.34Å; L104-A107 VanDerWaalsContact O-N 3.11Å; L104-I108 HydrophobicContact CD1-CD1 3.92Å; L104-I108 HydrophobicContact CD1-CG1 4.1Å; L104-I108 HydrophobicContact CG-CD1 3.87Å; L104-I108 HydrophobicContact CG-CG1 4.43Å; L104-I108 VanDerWaalsContact O-CG1 3.29Å; L104-I108 WeakPolarHBondContact O-CG1 3.49Å; L104-I108 PolarHBondContact O-N 3.26Å |
| 105 | L | 88.1 | Confident | 82.6 | Confident | 23 Ų | 23 | 57.7 Ų | 57.7 | 12% | 0.12 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.7 | -43.2 | 177 | -66.8 | 176.4 | 0 | 0 | 0 | 111.2 | W82 V101 L102 I108 V109 | W82-L105 HydrophobicContact CE3-CD2 4.32Å; W82-L105 HydrophobicContact CZ3-CD1 4.29Å; V101-L105 HydrophobicContact CG1-CD1 4.43Å; V101-L105 WeakPolarHBondContact O-CG 3.25Å; V101-L105 PolarHBondContact O-N 3.01Å; L102-L105 PolarHBondContact O-N 3.36Å; L105-I108 PolarHBondContact O-N 3.21Å; L105-V109 VanDerWaalsContact O-CG2 3.25Å; L105-V109 WeakPolarHBondContact O-CG2 3.44Å; L105-V109 PolarHBondContact O-N 3.16Å |
| 106 | K | 83.9 | Confident | 81.3 | Confident | 131 Ų | 131 | 54.4 Ų | 54.4 | 57% | 0.57 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -60.1 | -47.1 | 174.4 | -179.7 | 178.8 | 176.4 | -178.7 | 0 | 111.9 | L102 A103 L104 I108 V109 Q110 | L102-K106 WeakPolarHBondContact O-CB 3.17Å; L102-K106 PolarHBondContact O-N 3Å; A103-K106 PolarHBondContact O-N 3.4Å; L104-K106 VanDerWaalsContact C-N 3.27Å; L104-K106 PolarHBondContact O-N 3.3Å; K106-I108 PolarHBondContact O-N 3.09Å; K106-V109 PolarHBondContact O-N 2.97Å; K106-Q110 HydrophobicContact CG-CG 4.5Å; K106-Q110 WeakPolarHBondContact O-CB 3.44Å; K106-Q110 VanDerWaalsContact O-CG 3.28Å; K106-Q110 WeakPolarHBondContact O-CG 3.4Å; K106-Q110 PolarHBondContact O-N 3.48Å |
| 107 | A | 85.5 | Confident | 79.7 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 3% | 0.025 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | C65 A68 K69 A103 L104 Q110 G111 | C65-A107 HydrophobicContact CB-CB 4.04Å; A68-A107 HydrophobicContact CB-CB 4.12Å; K69-A107 HydrophobicContact CG-CB 4.24Å; A103-A107 WeakPolarHBondContact O-CB 3.43Å; A103-A107 PolarHBondContact O-N 2.88Å; L104-A107 PolarHBondContact O-N 3.34Å; L104-A107 VanDerWaalsContact O-N 3.11Å; A107-Q110 PolarHBondContact O-N 3.36Å; A107-G111 PolarHBondContact O-N 2.91Å |
| 108 | I | 84.6 | Confident | 78.3 | Confident | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.015 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 176 | -65.2 | 171.9 | 0 | 0 | 0 | 110.2 | A68 F73 V78 L81 L104 L105 K106 Q110 G111 Q112 L116 L119 | A68-I108 HydrophobicContact CB-CG1 4Å; F73-I108 HydrophobicContact CE2-CD1 4.29Å; F73-I108 HydrophobicContact CE2-CG1 3.99Å; V78-I108 HydrophobicContact CG1-CG2 4.14Å; V78-I108 HydrophobicContact CG2-CG2 3.83Å; L81-I108 HydrophobicContact CD1-CD1 4.3Å; L104-I108 HydrophobicContact CD1-CD1 3.92Å; L104-I108 HydrophobicContact CD1-CG1 4.1Å; L104-I108 HydrophobicContact CG-CD1 3.87Å; L104-I108 HydrophobicContact CG-CG1 4.43Å; L104-I108 VanDerWaalsContact O-CG1 3.29Å; L104-I108 WeakPolarHBondContact O-CG1 3.49Å; L104-I108 PolarHBondContact O-N 3.26Å; L105-I108 PolarHBondContact O-N 3.21Å; K106-I108 PolarHBondContact O-N 3.09Å; I108-Q110 VanDerWaalsContact C-N 3.3Å; I108-Q110 PolarHBondContact O-N 3.11Å; I108-G111 PolarHBondContact O-N 3.34Å; I108-Q112 HydrophobicContact CG2-CB 4.27Å; I108-Q112 HydrophobicContact CG2-CG 3.83Å; I108-Q112 WeakPolarHBondContact O-CA 3.4Å; I108-Q112 WeakPolarHBondContact O-CB 3.47Å; I108-Q112 VanDerWaalsContact O-CG 3.23Å; I108-Q112 WeakPolarHBondContact O-CG 3.28Å; I108-Q112 PolarHBondContact O-N 3.01Å; I108-L116 HydrophobicContact CG2-CD1 4.29Å; I108-L116 HydrophobicContact CG2-CD2 3.93Å; I108-L119 HydrophobicContact CG2-CD2 4.37Å |
| 109 | V | 78.9 | Confident | 76.7 | Confident | 47 Ų | 47 | 55 Ų | 55 | 29% | 0.285 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59 | -44.2 | 177.3 | 174.1 | 0 | 0 | 0 | 0 | 111.8 | L105 K106 G113 L116 L119 H123 | L105-V109 VanDerWaalsContact O-CG2 3.25Å; L105-V109 WeakPolarHBondContact O-CG2 3.44Å; L105-V109 PolarHBondContact O-N 3.16Å; K106-V109 PolarHBondContact O-N 2.97Å; V109-G113 WeakPolarHBondContact O-CA 3.3Å; V109-G113 PolarHBondContact O-N 3.48Å; V109-L116 HydrophobicContact CB-CD2 4.41Å; V109-L116 HydrophobicContact CG2-CD2 4Å; V109-L119 HydrophobicContact CG2-CD2 4.02Å; V109-H123 WeakPolarHBondContact CG2-CE1 3.38Å; V109-H123 WeakPolarHBondContact CG2-ND1 3.36Å |
| 110 | Q | 78.7 | Confident | 75.3 | Confident | 127 Ų | 127 | 56.4 Ų | 56.4 | 59% | 0.593 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -67.7 | -44.8 | -177.2 | -72.4 | 178.5 | -29.2 | 0 | 0 | 112.2 | K106 A107 I108 | K106-Q110 HydrophobicContact CG-CG 4.5Å; K106-Q110 WeakPolarHBondContact O-CB 3.44Å; K106-Q110 VanDerWaalsContact O-CG 3.28Å; K106-Q110 WeakPolarHBondContact O-CG 3.4Å; K106-Q110 PolarHBondContact O-N 3.48Å; A107-Q110 PolarHBondContact O-N 3.36Å; I108-Q110 VanDerWaalsContact C-N 3.3Å; I108-Q110 PolarHBondContact O-N 3.11Å |
| 111 | G | 76.9 | Confident | 73.6 | Confident | 17 Ų | 17 | 58.7 Ų | 58.7 | 18% | 0.175 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -87.4 | -25.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | A68 K72 A107 I108 | A68-G111 WeakPolarHBondContact O-CA 3.35Å; K72-G111 PolarHBondContact NZ-O 3.4Å; K72-G111 VanDerWaalsContact NZ-O 3.12Å; A107-G111 PolarHBondContact O-N 2.91Å; I108-G111 PolarHBondContact O-N 3.34Å |
| 112 | Q | 70.9 | Confident | 72.1 | Confident | 5 Ų | 5 | 63.5 Ų | 63.5 | 2% | 0.023 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -103.5 | 5.8 | -174.8 | -47.8 | -55.7 | -57.1 | 0 | 0 | 113.8 | A68 K71 K72 F73 I108 E114 R115 L116 | A68-Q112 PolarHBondContact O-NE2 2.89Å; K71-Q112 PolarHBondContact O-NE2 3.2Å; K72-Q112 VanDerWaalsContact CA-OE1 3.31Å; F73-Q112 HydrophobicContact CD2-CG 4.49Å; I108-Q112 HydrophobicContact CG2-CB 4.27Å; I108-Q112 HydrophobicContact CG2-CG 3.83Å; I108-Q112 WeakPolarHBondContact O-CA 3.4Å; I108-Q112 WeakPolarHBondContact O-CB 3.47Å; I108-Q112 VanDerWaalsContact O-CG 3.23Å; I108-Q112 WeakPolarHBondContact O-CG 3.28Å; I108-Q112 PolarHBondContact O-N 3.01Å; Q112-E114 PolarHBondContact O-N 3.44Å; Q112-R115 PolarHBondContact O-N 2.96Å; Q112-L116 HydrophobicContact CB-CD1 3.44Å; Q112-L116 VanDerWaalsContact CB-CD1 3.44Å; Q112-L116 HydrophobicContact CB-CD2 4.38Å; Q112-L116 HydrophobicContact CB-CG 4.46Å; Q112-L116 HydrophobicContact CG-CD1 4.4Å |
| 113 | G | 60.5 | Low | 70.8 | Confident | 31 Ų | 31 | 61.1 Ų | 61.1 | 32% | 0.32 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.3 | -28.3 | -165.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | V109 R120 | V109-G113 WeakPolarHBondContact O-CA 3.3Å; V109-G113 PolarHBondContact O-N 3.48Å; G113-R120 PolarHBondContact O-NH2 2.75Å; G113-R120 VanDerWaalsContact O-NH2 3.15Å |
| 114 | E | 58.9 | Low | 69.6 | Low | 157 Ų | 157 | 61.7 Ų | 61.7 | 73% | 0.734 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -35.6 | 176.5 | -70 | 168.6 | 150.4 | 0 | 0 | 113.4 | K72 Q112 | K72-E114 IonicContact NZ-OE2 3.73Å; K72-E114 PolarHBondContact NZ-OE2 3.49Å; Q112-E114 PolarHBondContact O-N 3.44Å |
| 115 | R | 58.7 | Low | 68.3 | Low | 126 Ų | 126 | 66 Ų | 66 | 48% | 0.475 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -9.3 | -178 | -79.8 | 178 | 69 | -151.7 | 3.5 | 114.3 | E37 F73 Q112 G117 | E37-R115 IonicContact OE1-NH1 2.81Å; F73-R115 PolarHBondContact O-NH1 3.19Å; Q112-R115 PolarHBondContact O-N 2.96Å; R115-G117 VanDerWaalsContact C-N 3.31Å; R115-G117 PolarHBondContact O-N 3.37Å; R115-G117 VanDerWaalsContact O-N 3.11Å |
| 116 | L | 61.5 | Low | 67.2 | Low | 16 Ų | 16 | 68.8 Ų | 68.8 | 8% | 0.084 | 37% | 0.374 | C | S | . | . | trans | -87.7 | 34.3 | -165.6 | -115.1 | 69.8 | 0 | 0 | 0 | 115.6 | I108 V109 Q112 V118 L119 R120 | I108-L116 HydrophobicContact CG2-CD1 4.29Å; I108-L116 HydrophobicContact CG2-CD2 3.93Å; V109-L116 HydrophobicContact CB-CD2 4.41Å; V109-L116 HydrophobicContact CG2-CD2 4Å; Q112-L116 HydrophobicContact CB-CD1 3.44Å; Q112-L116 VanDerWaalsContact CB-CD1 3.44Å; Q112-L116 HydrophobicContact CB-CD2 4.38Å; Q112-L116 HydrophobicContact CB-CG 4.46Å; Q112-L116 HydrophobicContact CG-CD1 4.4Å; L116-V118 VanDerWaalsContact C-N 3.25Å; L116-V118 PolarHBondContact O-N 3Å; L116-L119 HydrophobicContact CB-CB 4.27Å; L116-L119 HydrophobicContact CD2-CB 3.74Å; L116-L119 HydrophobicContact CD2-CD2 3.35Å; L116-L119 HydrophobicContact CD2-CG 4.16Å; L116-L119 HydrophobicContact CG-CB 3.6Å; L116-L119 HydrophobicContact CG-CD2 4.04Å; L116-L119 HydrophobicContact CG-CG 4.45Å; L116-L119 PolarHBondContact O-N 3.35Å; L116-R120 WeakPolarHBondContact O-CB 3.47Å; L116-R120 PolarHBondContact O-N 2.9Å | ||
| 117 | G | 59.9 | Low | 66.2 | Low | 45 Ų | 45 | 65.5 Ų | 65.5 | 46% | 0.464 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -51.9 | -41.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | R115 A121 | R115-G117 VanDerWaalsContact C-N 3.31Å; R115-G117 PolarHBondContact O-N 3.37Å; R115-G117 VanDerWaalsContact O-N 3.11Å; G117-A121 PolarHBondContact O-N 3.35Å |
| 118 | V | 59.7 | Low | 65.1 | Low | 129 Ų | 129 | 67.6 Ų | 67.6 | 78% | 0.782 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -74.9 | -39.8 | -180 | -179.2 | 0 | 0 | 0 | 0 | 112.5 | L116 R120 A121 L122 | L116-V118 VanDerWaalsContact C-N 3.25Å; L116-V118 PolarHBondContact O-N 3Å; V118-R120 VanDerWaalsContact C-N 3.33Å; V118-R120 PolarHBondContact O-N 3.48Å; V118-A121 WeakPolarHBondContact O-CB 3.15Å; V118-A121 PolarHBondContact O-N 3.44Å; V118-L122 PolarHBondContact O-N 2.71Å; V118-L122 VanDerWaalsContact O-N 3.11Å |
| 119 | L | 59.6 | Low | 63.7 | Low | 32 Ų | 32 | 70.9 Ų | 70.9 | 17% | 0.168 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -70.7 | -31.5 | 177.8 | -148.9 | 80.5 | 0 | 0 | 0 | 111.5 | V78 I108 V109 L116 A121 L122 H123 | V78-L119 HydrophobicContact CG1-CD1 4.44Å; I108-L119 HydrophobicContact CG2-CD2 4.37Å; V109-L119 HydrophobicContact CG2-CD2 4.02Å; L116-L119 HydrophobicContact CB-CB 4.27Å; L116-L119 HydrophobicContact CD2-CB 3.74Å; L116-L119 HydrophobicContact CD2-CD2 3.35Å; L116-L119 HydrophobicContact CD2-CG 4.16Å; L116-L119 HydrophobicContact CG-CB 3.6Å; L116-L119 HydrophobicContact CG-CD2 4.04Å; L116-L119 HydrophobicContact CG-CG 4.45Å; L116-L119 PolarHBondContact O-N 3.35Å; L119-A121 VanDerWaalsContact C-N 3.32Å; L119-A121 PolarHBondContact O-N 2.89Å; L119-L122 PolarHBondContact O-N 2.94Å; L119-H123 WeakPolarHBondContact CD2-CE1 3.29Å; L119-H123 VanDerWaalsContact O-CB 3.3Å; L119-H123 WeakPolarHBondContact O-CB 3.33Å; L119-H123 PolarHBondContact O-N 3.44Å; L119-H123 PolarHBondContact O-ND1 3.46Å |
| 120 | R | 62 | Low | 62.9 | Low | 142 Ų | 142 | 72.1 Ų | 72.1 | 54% | 0.536 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.2 | -40.6 | 169.3 | -98.7 | -175.9 | -73.9 | 179.3 | -5.1 | 111.8 | G113 L116 V118 H123 A124 | G113-R120 PolarHBondContact O-NH2 2.75Å; G113-R120 VanDerWaalsContact O-NH2 3.15Å; L116-R120 WeakPolarHBondContact O-CB 3.47Å; L116-R120 PolarHBondContact O-N 2.9Å; V118-R120 VanDerWaalsContact C-N 3.33Å; V118-R120 PolarHBondContact O-N 3.48Å; R120-H123 PolarHBondContact O-N 3.49Å; R120-A124 WeakPolarHBondContact O-CB 3.39Å; R120-A124 PolarHBondContact O-N 2.83Å |
| 121 | A | 57.2 | Low | 62 | Low | 62 Ų | 62 | 72 Ų | 72 | 51% | 0.512 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.4 | -43 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | G117 V118 L119 H123 A124 N125 | G117-A121 PolarHBondContact O-N 3.35Å; V118-A121 WeakPolarHBondContact O-CB 3.15Å; V118-A121 PolarHBondContact O-N 3.44Å; L119-A121 VanDerWaalsContact C-N 3.32Å; L119-A121 PolarHBondContact O-N 2.89Å; A121-H123 VanDerWaalsContact C-N 3.33Å; A121-H123 PolarHBondContact O-N 3.43Å; A121-A124 PolarHBondContact O-N 3.15Å; A121-N125 VanDerWaalsContact O-CB 3.3Å; A121-N125 WeakPolarHBondContact O-CB 3.45Å; A121-N125 PolarHBondContact O-N 2.96Å |
| 122 | L | 59.7 | Low | 60.9 | Low | 101 Ų | 101 | 76.2 Ų | 76.2 | 53% | 0.529 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.4 | -41 | 175.3 | -162.5 | 107.5 | 0 | 0 | 0 | 111.7 | V118 L119 N125 M126 | V118-L122 PolarHBondContact O-N 2.71Å; V118-L122 VanDerWaalsContact O-N 3.11Å; L119-L122 PolarHBondContact O-N 2.94Å; L122-N125 PolarHBondContact O-N 3Å; L122-M126 WeakPolarHBondContact O-CB 3.38Å; L122-M126 PolarHBondContact O-N 3.2Å |
| 123 | H | 63.6 | Low | 59.9 | Low | 36 Ų | 36 | 78 Ų | 78 | 17% | 0.167 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -73.9 | -37.7 | 178.1 | -66.8 | 167.5 | 0 | 0 | 0 | 113.1 | V109 L119 R120 A121 N125 M126 A127 | V109-H123 WeakPolarHBondContact CG2-CE1 3.38Å; V109-H123 WeakPolarHBondContact CG2-ND1 3.36Å; L119-H123 WeakPolarHBondContact CD2-CE1 3.29Å; L119-H123 VanDerWaalsContact O-CB 3.3Å; L119-H123 WeakPolarHBondContact O-CB 3.33Å; L119-H123 PolarHBondContact O-N 3.44Å; L119-H123 PolarHBondContact O-ND1 3.46Å; R120-H123 PolarHBondContact O-N 3.49Å; A121-H123 VanDerWaalsContact C-N 3.33Å; A121-H123 PolarHBondContact O-N 3.43Å; H123-N125 VanDerWaalsContact C-N 3.28Å; H123-M126 PolarHBondContact O-N 3.3Å; H123-A127 WeakPolarHBondContact O-CB 3.48Å; H123-A127 PolarHBondContact O-N 2.79Å |
| 124 | A | 64.1 | Low | 59.5 | Low | 61 Ų | 61 | 86.5 Ų | 86.5 | 50% | 0.504 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63 | -39.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.2 | R120 A121 S128 | R120-A124 WeakPolarHBondContact O-CB 3.39Å; R120-A124 PolarHBondContact O-N 2.83Å; A121-A124 PolarHBondContact O-N 3.15Å; A124-S128 WeakPolarHBondContact O-CA 3.48Å; A124-S128 WeakPolarHBondContact O-CB 3.3Å; A124-S128 PolarHBondContact O-N 2.76Å |
| 125 | N | 61.1 | Low | 59.5 | Low | 91 Ų | 91 | 82.8 Ų | 82.8 | 49% | 0.487 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.3 | -48.9 | 173.3 | -171.7 | 5.9 | 0 | 0 | 0 | 111.5 | A121 L122 H123 S128 Q129 | A121-N125 VanDerWaalsContact O-CB 3.3Å; A121-N125 WeakPolarHBondContact O-CB 3.45Å; A121-N125 PolarHBondContact O-N 2.96Å; L122-N125 PolarHBondContact O-N 3Å; H123-N125 VanDerWaalsContact C-N 3.28Å; N125-S128 WeakPolarHBondContact O-CB 3.01Å; N125-S128 PolarHBondContact O-N 2.9Å; N125-Q129 WeakPolarHBondContact O-CB 3.13Å; N125-Q129 VanDerWaalsContact O-CG 3.29Å; N125-Q129 WeakPolarHBondContact O-CG 3.47Å; N125-Q129 PolarHBondContact O-N 2.83Å; N125-Q129 PolarHBondContact OD1-NE2 2.97Å |
| 126 | M | 65.8 | Low | 59.1 | Low | 83 Ų | 83 | 80.3 Ų | 80.3 | 41% | 0.409 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 178.1 | -175.7 | 165.5 | 55.6 | 0 | 0 | 112.6 | L122 H123 Q129 V130 | L122-M126 WeakPolarHBondContact O-CB 3.38Å; L122-M126 PolarHBondContact O-N 3.2Å; H123-M126 PolarHBondContact O-N 3.3Å; M126-Q129 PolarHBondContact O-N 2.96Å; M126-V130 VanDerWaalsContact O-CG2 3.3Å; M126-V130 WeakPolarHBondContact O-CG2 3.45Å; M126-V130 PolarHBondContact O-N 3.45Å |
| 127 | A | 62.8 | Low | 58.7 | Low | 61 Ų | 61 | 85.1 Ų | 85.1 | 50% | 0.504 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | H123 V130 H131 | H123-A127 WeakPolarHBondContact O-CB 3.48Å; H123-A127 PolarHBondContact O-N 2.79Å; A127-V130 PolarHBondContact O-N 2.77Å; A127-H131 VanDerWaalsContact O-CB 3.3Å; A127-H131 WeakPolarHBondContact O-CB 3.36Å; A127-H131 PolarHBondContact O-N 3.45Å |
| 128 | S | 63.3 | Low | 58.4 | Low | 48 Ų | 48 | 88.6 Ų | 88.6 | 34% | 0.336 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61 | -47.4 | 172.2 | 178.8 | 0 | 0 | 0 | 0 | 110.7 | A124 N125 V130 H131 H132 | A124-S128 WeakPolarHBondContact O-CA 3.48Å; A124-S128 WeakPolarHBondContact O-CB 3.3Å; A124-S128 PolarHBondContact O-N 2.76Å; N125-S128 WeakPolarHBondContact O-CB 3.01Å; N125-S128 PolarHBondContact O-N 2.9Å; S128-V130 VanDerWaalsContact C-N 3.32Å; S128-V130 PolarHBondContact O-N 3.04Å; S128-H131 PolarHBondContact O-N 2.76Å; S128-H132 WeakPolarHBondContact O-CB 3.21Å; S128-H132 PolarHBondContact O-N 3.3Å; S128-H132 PolarHBondContact O-ND1 3.01Å; S128-H132 PolarHBondContact OG-CE1 3.19Å; S128-H132 PolarHBondContact OG-ND1 2.8Å |
| 129 | Q | 54.4 | Low | 57.8 | Low | 72 Ų | 72 | 87.7 Ų | 87.7 | 34% | 0.336 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.2 | -40.8 | 176.7 | -73.8 | 176.1 | 59.7 | 0 | 0 | 112.2 | N125 M126 S133 Y141 | N125-Q129 WeakPolarHBondContact O-CB 3.13Å; N125-Q129 VanDerWaalsContact O-CG 3.29Å; N125-Q129 WeakPolarHBondContact O-CG 3.47Å; N125-Q129 PolarHBondContact O-N 2.83Å; N125-Q129 PolarHBondContact OD1-NE2 2.97Å; M126-Q129 PolarHBondContact O-N 2.96Å; Q129-S133 VanDerWaalsContact O-CB 3.3Å; Q129-S133 WeakPolarHBondContact O-CB 3.31Å; Q129-S133 PolarHBondContact O-N 3.36Å; Q129-S133 PolarHBondContact O-OG 3.11Å; Q129-Y141 HydrophobicContact CB-CE2 4.21Å |
| 130 | V | 61.1 | Low | 57.6 | Low | 73 Ų | 73 | 92.4 Ų | 92.4 | 44% | 0.442 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.8 | -42.7 | 175 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | M126 A127 S128 S133 R134 | M126-V130 VanDerWaalsContact O-CG2 3.3Å; M126-V130 WeakPolarHBondContact O-CG2 3.45Å; M126-V130 PolarHBondContact O-N 3.45Å; A127-V130 PolarHBondContact O-N 2.77Å; S128-V130 VanDerWaalsContact C-N 3.32Å; S128-V130 PolarHBondContact O-N 3.04Å; V130-S133 PolarHBondContact O-N 3.33Å; V130-R134 WeakPolarHBondContact O-CG 3.42Å; V130-R134 PolarHBondContact O-N 3.11Å; V130-R134 VanDerWaalsContact O-N 3.11Å |
| 131 | H | 61 | Low | 56.9 | Low | 123 Ų | 123 | 90 Ų | 90 | 57% | 0.569 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.7 | -47 | 179.1 | -171.7 | -86 | 0 | 0 | 0 | 111.6 | A127 S128 S133 R134 S135 | A127-H131 VanDerWaalsContact O-CB 3.3Å; A127-H131 WeakPolarHBondContact O-CB 3.36Å; A127-H131 PolarHBondContact O-N 3.45Å; S128-H131 PolarHBondContact O-N 2.76Å; H131-S133 VanDerWaalsContact C-N 3.29Å; H131-S133 PolarHBondContact O-N 2.82Å; H131-R134 WeakPolarHBondContact O-CB 3.37Å; H131-R134 PolarHBondContact O-N 3.42Å; H131-S135 PolarHBondContact O-N 3.38Å; H131-S135 PolarHBondContact O-OG 3.36Å |
| 132 | H | 53 | Low | 56.5 | Low | 106 Ų | 106 | 92.3 Ų | 92.3 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.4 | -40.4 | 174.3 | -76.1 | 81.5 | 0 | 0 | 0 | 111.7 | S128 R134 S135 N136 | S128-H132 WeakPolarHBondContact O-CB 3.21Å; S128-H132 PolarHBondContact O-N 3.3Å; S128-H132 PolarHBondContact O-ND1 3.01Å; S128-H132 PolarHBondContact OG-CE1 3.19Å; S128-H132 PolarHBondContact OG-ND1 2.8Å; H132-R134 VanDerWaalsContact C-N 3.28Å; H132-R134 PolarHBondContact O-N 2.75Å; H132-S135 WeakPolarHBondContact CA-OG 3.48Å; H132-S135 PolarHBondContact O-N 3.2Å; H132-S135 PolarHBondContact O-OG 2.74Å; H132-N136 PolarHBondContact O-N 2.68Å |
| 133 | S | 50.1 | Low | 56.2 | Low | 42 Ų | 42 | 90.3 Ų | 90.3 | 29% | 0.294 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.6 | -27.8 | 175.1 | -59.3 | 0 | 0 | 0 | 0 | 113.4 | Q129 V130 H131 Y141 | Q129-S133 VanDerWaalsContact O-CB 3.3Å; Q129-S133 WeakPolarHBondContact O-CB 3.31Å; Q129-S133 PolarHBondContact O-N 3.36Å; Q129-S133 PolarHBondContact O-OG 3.11Å; V130-S133 PolarHBondContact O-N 3.33Å; H131-S133 VanDerWaalsContact C-N 3.29Å; H131-S133 PolarHBondContact O-N 2.82Å; S133-Y141 WeakPolarHBondContact OG-CD2 3.3Å |
| 134 | R | 52.4 | Low | 56.1 | Low | 211 Ų | 211 | 95 Ų | 95 | 80% | 0.796 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -82.5 | -33 | 175.5 | -71.3 | -178.5 | 76.3 | -157.4 | 3.1 | 112.4 | V130 H131 H132 | V130-R134 WeakPolarHBondContact O-CG 3.42Å; V130-R134 PolarHBondContact O-N 3.11Å; V130-R134 VanDerWaalsContact O-N 3.11Å; H131-R134 WeakPolarHBondContact O-CB 3.37Å; H131-R134 PolarHBondContact O-N 3.42Å; H132-R134 VanDerWaalsContact C-N 3.28Å; H132-R134 PolarHBondContact O-N 2.75Å |
| 135 | S | 58.5 | Low | 55.7 | Low | 78 Ų | 78 | 99.4 Ų | 99.4 | 55% | 0.545 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -88.9 | -18 | -178.9 | 56 | 0 | 0 | 0 | 0 | 114 | H131 H132 | H131-S135 PolarHBondContact O-N 3.38Å; H131-S135 PolarHBondContact O-OG 3.36Å; H132-S135 WeakPolarHBondContact CA-OG 3.48Å; H132-S135 PolarHBondContact O-N 3.2Å; H132-S135 PolarHBondContact O-OG 2.74Å |
| 136 | N | 49.8 | Very low | 55.8 | Low | 74 Ų | 74 | 99.1 Ų | 99.1 | 40% | 0.396 | 52% | 0.522 | S | S | . | . | trans | -137.6 | 89.5 | 177.6 | -158.6 | 5.6 | 0 | 0 | 0 | 110.4 | H132 T138 D139 | H132-N136 PolarHBondContact O-N 2.68Å; N136-T138 PolarHBondContact O-N 3.25Å; N136-T138 PolarHBondContact OD1-OG1 3Å; N136-T138 VanDerWaalsContact OD1-OG1 3.09Å; N136-D139 PolarHBondContact O-N 2.85Å | ||
| 137 | P | 54.4 | Low | 55.8 | Low | 118 Ų | 118 | 97.1 Ų | 97.1 | 77% | 0.766 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -3.7 | -171.8 | 28 | -34.9 | 0 | 0 | 0 | 114.4 | ||
| 138 | T | 52.8 | Low | 56 | Low | 117 Ų | 117 | 103 Ų | 103 | 72% | 0.718 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -15.5 | -178.5 | 7.9 | 0 | 0 | 0 | 0 | 113.6 | N136 | N136-T138 PolarHBondContact O-N 3.25Å; N136-T138 PolarHBondContact OD1-OG1 3Å; N136-T138 VanDerWaalsContact OD1-OG1 3.09Å |
| 139 | D | 47.3 | Very low | 56.2 | Low | 110 Ų | 110 | 105.2 Ų | 105.2 | 59% | 0.588 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -82.8 | 136.5 | -176.8 | -130.4 | -20.8 | 0 | 0 | 0 | 111.9 | N136 Y141 | N136-D139 PolarHBondContact O-N 2.85Å; D139-Y141 PolarHBondContact O-N 3.3Å |
| 140 | I | 55.3 | Low | 57.2 | Low | 132 Ų | 132 | 109.2 Ų | 109.2 | 68% | 0.677 | 55% | 0.547 | S | S | * | . | trans | -77.4 | 90.4 | -163 | -63.2 | 166.8 | 0 | 0 | 0 | 109.5 | ||||
| 141 | Y | 47.2 | Very low | 57.7 | Low | 90 Ų | 90 | 110.2 Ų | 110.2 | 35% | 0.353 | 55% | 0.547 | S | S | . | . | trans | -71.8 | 146.7 | 169.7 | -165.8 | -102.5 | 0 | 0 | 0 | 111.5 | Q129 S133 D139 S143 | Q129-Y141 HydrophobicContact CB-CE2 4.21Å; S133-Y141 WeakPolarHBondContact OG-CD2 3.3Å; D139-Y141 PolarHBondContact O-N 3.3Å; Y141-S143 PolarHBondContact O-N 3.32Å | ||
| 142 | P | 49.7 | Very low | 58.3 | Low | 111 Ų | 111 | 108.4 Ų | 108.4 | 72% | 0.721 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -64.5 | -9.9 | -169.5 | -23.1 | 33.8 | 0 | 0 | 0 | 116.7 | ||
| 143 | S | 52.8 | Low | 59.3 | Low | 60 Ų | 60 | 110.5 Ų | 110.5 | 42% | 0.42 | 55% | 0.548 | S | S | . | . | trans | -128.1 | 92.3 | 174.2 | 53.6 | 0 | 0 | 0 | 0 | 109.7 | Y141 W145 | Y141-S143 PolarHBondContact O-N 3.32Å; S143-W145 PolarHBondContact O-N 3.32Å | ||
| 144 | K | 62.3 | Low | 60.8 | Low | 135 Ų | 135 | 115.4 Ų | 115.4 | 59% | 0.587 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | 28.3 | 169.1 | -73.2 | -167.8 | 177.8 | -179.4 | 0 | 113.2 | I146 A147 R148 | K144-I146 PolarHBondContact O-N 3.47Å; K144-A147 HydrophobicContact CB-CB 4.16Å; K144-A147 CarbonylContact O-C 3.6Å; K144-A147 PolarHBondContact O-N 3.37Å; K144-R148 WeakPolarHBondContact O-CB 3.39Å; K144-R148 PolarHBondContact O-N 2.79Å |
| 145 | W | 55 | Low | 62 | Low | 152 Ų | 152 | 109.3 Ų | 109.3 | 58% | 0.576 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.7 | -39.4 | -176.5 | 74.1 | -87.6 | 0 | 0 | 0 | 111.5 | S143 R148 L149 | S143-W145 PolarHBondContact O-N 3.32Å; W145-R148 CarbonylContact O-C 3.55Å; W145-R148 PolarHBondContact O-N 3.41Å; W145-L149 HydrophobicContact CE3-CD1 3.37Å; W145-L149 HydrophobicContact CE3-CG 4.25Å; W145-L149 HydrophobicContact CZ3-CD1 3.36Å; W145-L149 WeakPolarHBondContact O-CB 3.3Å; W145-L149 VanDerWaalsContact O-CG 3.31Å; W145-L149 WeakPolarHBondContact O-CG 3.38Å; W145-L149 PolarHBondContact O-N 2.91Å |
| 146 | I | 62.7 | Low | 62.8 | Low | 86 Ų | 86 | 113.9 Ų | 113.9 | 44% | 0.441 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 173.5 | -59.9 | 179.4 | 0 | 0 | 0 | 111 | K144 R148 L149 R150 | K144-I146 PolarHBondContact O-N 3.47Å; I146-R148 VanDerWaalsContact C-N 3.34Å; I146-L149 PolarHBondContact O-N 3.02Å; I146-R150 WeakPolarHBondContact O-CB 3.39Å; I146-R150 WeakPolarHBondContact O-CG 3.19Å; I146-R150 PolarHBondContact O-N 3.01Å |
| 147 | A | 66.8 | Low | 63.9 | Low | 41 Ų | 41 | 115.6 Ų | 115.6 | 34% | 0.339 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.3 | -38 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K144 R150 H151 | K144-A147 HydrophobicContact CB-CB 4.16Å; K144-A147 CarbonylContact O-C 3.6Å; K144-A147 PolarHBondContact O-N 3.37Å; A147-R150 PolarHBondContact O-N 2.93Å; A147-H151 WeakPolarHBondContact O-CB 3.47Å; A147-H151 PolarHBondContact O-N 3.21Å |
| 148 | R | 65.5 | Low | 65.1 | Low | 185 Ų | 185 | 115.9 Ų | 115.9 | 70% | 0.698 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -69 | -40.3 | 176.3 | -163.1 | 163.1 | -176.6 | 164.1 | -0.9 | 111.1 | K144 W145 I146 H151 I152 | K144-R148 WeakPolarHBondContact O-CB 3.39Å; K144-R148 PolarHBondContact O-N 2.79Å; W145-R148 CarbonylContact O-C 3.55Å; W145-R148 PolarHBondContact O-N 3.41Å; I146-R148 VanDerWaalsContact C-N 3.34Å; R148-H151 PolarHBondContact O-N 2.85Å; R148-I152 HydrophobicContact CG-CD1 4.21Å; R148-I152 WeakPolarHBondContact O-CB 3.43Å; R148-I152 WeakPolarHBondContact O-CD1 3.43Å; R148-I152 WeakPolarHBondContact O-CG1 3.49Å; R148-I152 PolarHBondContact O-N 3.43Å |
| 149 | L | 67.8 | Low | 66.1 | Low | 93 Ų | 93 | 114.8 Ų | 114.8 | 49% | 0.487 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63 | -44.1 | 171.2 | -77.2 | 178.3 | 0 | 0 | 0 | 111.9 | W145 I146 H151 I152 K153 | W145-L149 HydrophobicContact CE3-CD1 3.37Å; W145-L149 HydrophobicContact CE3-CG 4.25Å; W145-L149 HydrophobicContact CZ3-CD1 3.36Å; W145-L149 WeakPolarHBondContact O-CB 3.3Å; W145-L149 VanDerWaalsContact O-CG 3.31Å; W145-L149 WeakPolarHBondContact O-CG 3.38Å; W145-L149 PolarHBondContact O-N 2.91Å; I146-L149 PolarHBondContact O-N 3.02Å; L149-H151 VanDerWaalsContact C-N 3.28Å; L149-H151 PolarHBondContact O-N 3.09Å; L149-I152 PolarHBondContact O-N 2.82Å; L149-K153 WeakPolarHBondContact O-CB 3.43Å; L149-K153 PolarHBondContact O-N 3.38Å |
| 150 | R | 76.7 | Confident | 67.1 | Low | 156 Ų | 156 | 113.6 Ų | 113.6 | 59% | 0.589 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.9 | -36 | 173.1 | -77.1 | -171.7 | -74.3 | -154.6 | 0.5 | 112.1 | I146 A147 R154 | I146-R150 WeakPolarHBondContact O-CB 3.39Å; I146-R150 WeakPolarHBondContact O-CG 3.19Å; I146-R150 PolarHBondContact O-N 3.01Å; A147-R150 PolarHBondContact O-N 2.93Å; R150-R154 WeakPolarHBondContact O-CB 3.23Å; R150-R154 WeakPolarHBondContact O-CG 3.48Å; R150-R154 PolarHBondContact O-N 2.85Å; R150-R154 PolarHBondContact O-NE 3.28Å |
| 151 | H | 70.4 | Confident | 67.6 | Low | 95 Ų | 95 | 111.8 Ų | 111.8 | 44% | 0.44 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.9 | -44.6 | 175.3 | -169.2 | -162.5 | 0 | 0 | 0 | 111.5 | A147 R148 L149 K153 R154 L155 | A147-H151 WeakPolarHBondContact O-CB 3.47Å; A147-H151 PolarHBondContact O-N 3.21Å; R148-H151 PolarHBondContact O-N 2.85Å; L149-H151 VanDerWaalsContact C-N 3.28Å; L149-H151 PolarHBondContact O-N 3.09Å; H151-K153 VanDerWaalsContact C-N 3.35Å; H151-K153 PolarHBondContact O-N 2.96Å; H151-R154 PolarHBondContact O-N 3.35Å; H151-L155 VanDerWaalsContact O-CB 3.28Å; H151-L155 WeakPolarHBondContact O-CB 3.33Å; H151-L155 PolarHBondContact O-N 3.13Å |
| 152 | I | 73.6 | Confident | 68.4 | Low | 84 Ų | 84 | 114 Ų | 114 | 43% | 0.431 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.2 | -43.2 | 175.4 | -70.3 | 163.2 | 0 | 0 | 0 | 110.7 | R148 L149 L155 R156 | R148-I152 HydrophobicContact CG-CD1 4.21Å; R148-I152 WeakPolarHBondContact O-CB 3.43Å; R148-I152 WeakPolarHBondContact O-CD1 3.43Å; R148-I152 WeakPolarHBondContact O-CG1 3.49Å; R148-I152 PolarHBondContact O-N 3.43Å; L149-I152 PolarHBondContact O-N 2.82Å; I152-L155 PolarHBondContact O-N 3.3Å; I152-R156 WeakPolarHBondContact O-CG 3.41Å; I152-R156 PolarHBondContact O-N 2.96Å |
| 153 | K | 75.2 | Confident | 68.8 | Low | 151 Ų | 151 | 111.9 Ų | 111.9 | 66% | 0.657 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.5 | -46.6 | 176.6 | -171.3 | 173.5 | -179.9 | 176.1 | 0 | 111.7 | L149 H151 L155 R156 Q157 | L149-K153 WeakPolarHBondContact O-CB 3.43Å; L149-K153 PolarHBondContact O-N 3.38Å; H151-K153 VanDerWaalsContact C-N 3.35Å; H151-K153 PolarHBondContact O-N 2.96Å; K153-L155 VanDerWaalsContact C-N 3.28Å; K153-L155 PolarHBondContact O-N 3.46Å; K153-R156 PolarHBondContact O-N 3.36Å; K153-Q157 WeakPolarHBondContact O-CB 3.47Å; K153-Q157 PolarHBondContact O-N 2.87Å |
| 154 | R | 80.5 | Confident | 69.1 | Low | 145 Ų | 145 | 112.8 Ų | 112.8 | 55% | 0.547 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.7 | -32.6 | 175.2 | -76.4 | -177.3 | -71.8 | 147.8 | -6.2 | 113 | R150 H151 R158 | R150-R154 WeakPolarHBondContact O-CB 3.23Å; R150-R154 WeakPolarHBondContact O-CG 3.48Å; R150-R154 PolarHBondContact O-N 2.85Å; R150-R154 PolarHBondContact O-NE 3.28Å; H151-R154 PolarHBondContact O-N 3.35Å; R154-R158 WeakPolarHBondContact O-CB 3.28Å; R154-R158 WeakPolarHBondContact O-CG 3.38Å; R154-R158 PolarHBondContact O-N 3.4Å; R154-R158 VanDerWaalsContact O-N 3.13Å; R154-R158 PolarHBondContact O-NE 3.3Å |
| 155 | L | 78.7 | Confident | 68.7 | Low | 82 Ų | 82 | 116.5 Ų | 116.5 | 43% | 0.429 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -73.4 | -43.9 | 177.1 | -172.9 | 63.3 | 0 | 0 | 0 | 111 | H151 I152 K153 Q157 R158 I159 | H151-L155 VanDerWaalsContact O-CB 3.28Å; H151-L155 WeakPolarHBondContact O-CB 3.33Å; H151-L155 PolarHBondContact O-N 3.13Å; I152-L155 PolarHBondContact O-N 3.3Å; K153-L155 VanDerWaalsContact C-N 3.28Å; K153-L155 PolarHBondContact O-N 3.46Å; L155-Q157 VanDerWaalsContact C-N 3.31Å; L155-Q157 PolarHBondContact O-N 3.23Å; L155-R158 PolarHBondContact O-N 3.42Å; L155-I159 HydrophobicContact CD1-CD1 4.36Å; L155-I159 HydrophobicContact CG-CD1 3.97Å; L155-I159 WeakPolarHBondContact O-CD1 3.41Å; L155-I159 VanDerWaalsContact O-CG1 3.23Å; L155-I159 WeakPolarHBondContact O-CG1 3.24Å; L155-I159 PolarHBondContact O-N 3.05Å |
| 156 | R | 73.6 | Confident | 68.5 | Low | 175 Ų | 175 | 114 Ų | 114 | 66% | 0.66 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -59.3 | -42.6 | 173.3 | -76.2 | -176.8 | 115.1 | -113.2 | 2.8 | 111.9 | I152 K153 I159 C160 | I152-R156 WeakPolarHBondContact O-CG 3.41Å; I152-R156 PolarHBondContact O-N 2.96Å; K153-R156 PolarHBondContact O-N 3.36Å; R156-I159 PolarHBondContact O-N 3.36Å; R156-C160 PolarHBondContact O-N 2.97Å; R156-C160 PolarHBondContact O-SG 3.36Å; R156-C160 VanDerWaalsContact O-SG 3.36Å |
| 157 | Q | 73.9 | Confident | 67.5 | Low | 109 Ų | 109 | 116.4 Ų | 116.4 | 51% | 0.509 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.3 | -44.4 | 179.1 | -174.5 | 144.8 | -0.9 | 0 | 0 | 112.1 | K153 L155 I159 C160 E161 | K153-Q157 WeakPolarHBondContact O-CB 3.47Å; K153-Q157 PolarHBondContact O-N 2.87Å; L155-Q157 VanDerWaalsContact C-N 3.31Å; L155-Q157 PolarHBondContact O-N 3.23Å; Q157-I159 VanDerWaalsContact C-N 3.34Å; Q157-I159 PolarHBondContact O-N 3.5Å; Q157-C160 PolarHBondContact O-N 3.13Å; Q157-E161 VanDerWaalsContact CG-OE1 3.26Å; Q157-E161 WeakPolarHBondContact CG-OE1 3.43Å; Q157-E161 PolarHBondContact NE2-OE1 3.36Å; Q157-E161 WeakPolarHBondContact O-CB 3.45Å; Q157-E161 WeakPolarHBondContact O-CG 3.46Å; Q157-E161 PolarHBondContact O-N 3.12Å |
| 158 | R | 78.3 | Confident | 66.9 | Low | 124 Ų | 124 | 120 Ų | 120 | 47% | 0.468 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -60.5 | -40.3 | 173.5 | -78.4 | -176 | -74.3 | 169 | -0 | 113 | R154 L155 E161 E162 | R154-R158 WeakPolarHBondContact O-CB 3.28Å; R154-R158 WeakPolarHBondContact O-CG 3.38Å; R154-R158 PolarHBondContact O-N 3.4Å; R154-R158 VanDerWaalsContact O-N 3.13Å; R154-R158 PolarHBondContact O-NE 3.3Å; L155-R158 PolarHBondContact O-N 3.42Å; R158-E161 PolarHBondContact O-N 2.84Å; R158-E162 WeakPolarHBondContact O-CB 3.45Å; R158-E162 PolarHBondContact O-N 3.39Å |
| 159 | I | 74 | Confident | 65.7 | Low | 94 Ų | 94 | 116.6 Ų | 116.6 | 48% | 0.482 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.9 | -40.1 | 177.4 | -68 | 164.6 | 0 | 0 | 0 | 111.4 | L155 R156 Q157 A163 | L155-I159 HydrophobicContact CD1-CD1 4.36Å; L155-I159 HydrophobicContact CG-CD1 3.97Å; L155-I159 WeakPolarHBondContact O-CD1 3.41Å; L155-I159 VanDerWaalsContact O-CG1 3.23Å; L155-I159 WeakPolarHBondContact O-CG1 3.24Å; L155-I159 PolarHBondContact O-N 3.05Å; R156-I159 PolarHBondContact O-N 3.36Å; Q157-I159 VanDerWaalsContact C-N 3.34Å; Q157-I159 PolarHBondContact O-N 3.5Å; I159-A163 VanDerWaalsContact O-CB 3.24Å; I159-A163 WeakPolarHBondContact O-CB 3.26Å; I159-A163 PolarHBondContact O-N 3.31Å |
| 160 | C | 68.4 | Low | 64.6 | Low | 85 Ų | 85 | 120 Ų | 120 | 57% | 0.574 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.4 | -37.5 | 175.2 | -71 | 0 | 0 | 0 | 0 | 112.4 | R156 Q157 A164 | R156-C160 PolarHBondContact O-N 2.97Å; R156-C160 PolarHBondContact O-SG 3.36Å; R156-C160 VanDerWaalsContact O-SG 3.36Å; Q157-C160 PolarHBondContact O-N 3.13Å; C160-A164 PolarHBondContact O-N 2.92Å; C160-A164 VanDerWaalsContact O-N 3.12Å |
| 161 | E | 67.4 | Low | 63.2 | Low | 94 Ų | 94 | 118.3 Ų | 118.3 | 44% | 0.439 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -68.3 | -45.8 | 174.9 | -75.3 | 163.3 | -170.6 | 0 | 0 | 111 | Q157 R158 A163 A164 Y165 | Q157-E161 VanDerWaalsContact CG-OE1 3.26Å; Q157-E161 WeakPolarHBondContact CG-OE1 3.43Å; Q157-E161 PolarHBondContact NE2-OE1 3.36Å; Q157-E161 WeakPolarHBondContact O-CB 3.45Å; Q157-E161 WeakPolarHBondContact O-CG 3.46Å; Q157-E161 PolarHBondContact O-N 3.12Å; R158-E161 PolarHBondContact O-N 2.84Å; E161-A163 VanDerWaalsContact C-N 3.32Å; E161-A163 PolarHBondContact O-N 3.18Å; E161-A164 WeakPolarHBondContact O-CB 3.26Å; E161-A164 PolarHBondContact O-N 3.28Å; E161-A164 VanDerWaalsContact O-N 3.13Å; E161-Y165 VanDerWaalsContact O-CD2 3.26Å; E161-Y165 WeakPolarHBondContact O-CD2 3.47Å; E161-Y165 PolarHBondContact O-N 3.2Å |
| 162 | E | 62.7 | Low | 62.2 | Low | 138 Ų | 138 | 119.5 Ų | 119.5 | 65% | 0.645 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -61.8 | -36.4 | 174.2 | -82.7 | -173.2 | 150.8 | 0 | 0 | 113 | R158 A164 Y165 S166 | R158-E162 WeakPolarHBondContact O-CB 3.45Å; R158-E162 PolarHBondContact O-N 3.39Å; E162-A164 VanDerWaalsContact C-N 3.32Å; E162-A164 PolarHBondContact O-N 3.43Å; E162-Y165 PolarHBondContact O-N 2.95Å; E162-S166 PolarHBondContact O-N 3.39Å; E162-S166 PolarHBondContact O-OG 3.21Å |
| 163 | A | 59.2 | Low | 60.7 | Low | 65 Ų | 65 | 122.4 Ų | 122.4 | 54% | 0.537 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -68.6 | -28.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | I159 E161 Y165 | I159-A163 VanDerWaalsContact O-CB 3.24Å; I159-A163 WeakPolarHBondContact O-CB 3.26Å; I159-A163 PolarHBondContact O-N 3.31Å; E161-A163 VanDerWaalsContact C-N 3.32Å; E161-A163 PolarHBondContact O-N 3.18Å; A163-Y165 VanDerWaalsContact C-N 3.34Å |
| 164 | A | 58.6 | Low | 59.3 | Low | 79 Ų | 79 | 122 Ų | 122 | 65% | 0.653 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -74.5 | -23.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | C160 E161 E162 | C160-A164 PolarHBondContact O-N 2.92Å; C160-A164 VanDerWaalsContact O-N 3.12Å; E161-A164 WeakPolarHBondContact O-CB 3.26Å; E161-A164 PolarHBondContact O-N 3.28Å; E161-A164 VanDerWaalsContact O-N 3.13Å; E162-A164 VanDerWaalsContact C-N 3.32Å; E162-A164 PolarHBondContact O-N 3.43Å |
| 165 | Y | 53.6 | Low | 57.7 | Low | 213 Ų | 213 | 120.6 Ų | 120.6 | 84% | 0.835 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -91.3 | -15.9 | 175.1 | -77.7 | -77.9 | 0 | 0 | 0 | 114.1 | E161 E162 A163 | E161-Y165 VanDerWaalsContact O-CD2 3.26Å; E161-Y165 WeakPolarHBondContact O-CD2 3.47Å; E161-Y165 PolarHBondContact O-N 3.2Å; E162-Y165 PolarHBondContact O-N 2.95Å; A163-Y165 VanDerWaalsContact C-N 3.34Å |
| 166 | S | 51.1 | Low | 55.8 | Low | 101 Ų | 101 | 122.3 Ų | 122.3 | 71% | 0.706 | 67% | 0.672 | S | S | * | * | trans | -103.5 | 46.7 | -178.8 | -63.1 | 0 | 0 | 0 | 0 | 113.7 | E162 | E162-S166 PolarHBondContact O-N 3.39Å; E162-S166 PolarHBondContact O-OG 3.21Å | ||
| 167 | N | 41.5 | Very low | 54 | Low | 135 Ų | 135 | 118.9 Ų | 118.9 | 72% | 0.722 | 68% | 0.675 | S | S | * | * | trans | -110.6 | 102 | 166.9 | -153.9 | -11.5 | 0 | 0 | 0 | 109 | S169 | N167-S169 PolarHBondContact O-N 3.29Š| ||
| 168 | P | 55 | Low | 52.4 | Low | 117 Ų | 117 | 122.1 Ų | 122.1 | 76% | 0.76 | 69% | 0.689 | S | S | * | * | trans | -87.2 | 89.6 | -179.4 | 33.7 | -28.2 | 0 | 0 | 0 | 109 | ||||
| 169 | S | 39.7 | Very low | 50.4 | Low | 113 Ų | 113 | 121.3 Ų | 121.3 | 79% | 0.79 | 70% | 0.703 | S | S | * | * | trans | -161.8 | 92.4 | 160.8 | -74.5 | 0 | 0 | 0 | 0 | 109.9 | N167 | N167-S169 PolarHBondContact O-N 3.29Š| ||
| 170 | L | 43.8 | Very low | 48.3 | Very low | 165 Ų | 165 | 126.7 Ų | 126.7 | 86% | 0.864 | 72% | 0.723 | S | S | * | * | trans | -86.9 | 156 | 164.8 | -94.1 | 174.3 | 0 | 0 | 0 | 108.8 | ||||
| 171 | P | 47.3 | Very low | 46.7 | Very low | 121 Ų | 121 | 126.8 Ų | 126.8 | 79% | 0.786 | 73% | 0.73 | S | S | * | * | -143.4 | 142.7 | 74 | 32.8 | -11.8 | 0 | 0 | 0 | 118 | |||||
| 172 | L | 49.2 | Very low | 45.8 | Very low | 119 Ų | 119 | 128.2 Ų | 128.2 | 62% | 0.623 | 75% | 0.747 | S | S | * | * | 58.1 | 106.7 | 128.7 | -164.6 | 70.7 | 0 | 0 | 0 | 119.7 | |||||
| 173 | V | 42.3 | Very low | 44.3 | Very low | 145 Ų | 145 | 125.3 Ų | 125.3 | 88% | 0.879 | 75% | 0.747 | S | S | * | * | trans | -137.7 | 120.3 | 139.9 | -176.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 174 | H | 46 | Very low | 43.1 | Very low | 144 Ų | 144 | 131.3 Ų | 131.3 | 67% | 0.667 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 152.7 | 176.1 | -66.8 | 135.7 | 0 | 0 | 0 | 113 | ||
| 175 | P | 46.5 | Very low | 41.8 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 137.1 | 163.3 | 31.8 | -28.8 | 0 | 0 | 0 | 110.2 | S177 | P175-S177 PolarHBondContact O-N 3.06Š|
| 176 | P | 39.8 | Very low | 41.4 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 116.4 | 161.8 | 29.7 | -26.3 | 0 | 0 | 0 | 109.2 | ||
| 177 | S | 36.3 | Very low | 40.5 | Very low | 103 Ų | 103 | 129.8 Ų | 129.8 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -56 | 124.8 | 160 | 50.8 | 0 | 0 | 0 | 0 | 111.4 | P175 | P175-S177 PolarHBondContact O-N 3.06Š|
| 178 | H | 39.8 | Very low | 40.1 | Very low | 177 Ų | 177 | 131.9 Ų | 131.9 | 82% | 0.819 | 78% | 0.783 | S | S | * | * | trans | -133.8 | 103.2 | 146.9 | -81.6 | -69.7 | 0 | 0 | 0 | 110.3 | ||||
| 179 | S | 35.4 | Very low | 39.8 | Very low | 108 Ų | 108 | 130.6 Ų | 130.6 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | -27.9 | 129.7 | 152.8 | 46.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 180 | K | 31.2 | Very low | 39.6 | Very low | 206 Ų | 206 | 131.8 Ų | 131.8 | 90% | 0.896 | 78% | 0.777 | S | S | * | * | 179.1 | 115.6 | 111.4 | -139.2 | 164.7 | 177.2 | 178 | 0 | 111.5 | |||||
| 181 | A | 34.3 | Very low | 39.7 | Very low | 88 Ų | 88 | 129.6 Ų | 129.6 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -93.1 | 170.9 | 147 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 182 | P | 47.9 | Very low | 38.9 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | cis | -135.7 | 174.1 | 24.3 | 33.3 | -8.8 | 0 | 0 | 0 | 113.4 | ||||
| 183 | A | 32.7 | Very low | 38.2 | Very low | 78 Ų | 78 | 132 Ų | 132 | 65% | 0.645 | 78% | 0.783 | S | S | * | * | 178.1 | 150.1 | 74.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 184 | Q | 33.4 | Very low | 38.1 | Very low | 190 Ų | 190 | 133.4 Ų | 133.4 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | trans | 82.2 | 103.1 | 146.7 | -71.4 | 168.8 | 61.3 | 0 | 0 | 122.3 | ||||
| 185 | T | 31.7 | Very low | 37.6 | Very low | 133 Ų | 133 | 133 Ų | 133 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | trans | -70.6 | 178.3 | 140.3 | 29.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 186 | P | 44.8 | Very low | 37.5 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | cis | -138.7 | 168.2 | 3.9 | 34.9 | -14.4 | 0 | 0 | 0 | 116.1 | ||||
| 187 | A | 32.7 | Very low | 37.3 | Very low | 106 Ų | 106 | 133 Ų | 133 | 88% | 0.876 | 79% | 0.785 | S | S | * | * | trans | 177 | 127.7 | 132.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 188 | E | 32.4 | Very low | 37.8 | Very low | 180 Ų | 180 | 140.5 Ų | 140.5 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | trans | -105.7 | -175 | 163.5 | -131.1 | -153.9 | 135.3 | 0 | 0 | 107.8 | ||||
| 189 | P | 48.6 | Very low | 38.2 | Very low | 89 Ų | 89 | 140.7 Ų | 140.7 | 58% | 0.578 | 80% | 0.796 | S | S | * | * | cis | -124.6 | 174.3 | -48.9 | 26.6 | -6.6 | 0 | 0 | 0 | 111.8 | ||||
| 190 | T | 34.5 | Very low | 39 | Very low | 138 Ų | 138 | 146.8 Ų | 146.8 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | trans | 161.9 | 156.7 | 133.6 | 39.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 191 | P | 45.8 | Very low | 39.6 | Very low | 120 Ų | 120 | 144.9 Ų | 144.9 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | trans | -97.6 | 135.8 | -150.7 | 36.5 | -30.6 | 0 | 0 | 0 | 113.8 | ||||
| 192 | G | 32.3 | Very low | 40.1 | Very low | 75 Ų | 75 | 148 Ų | 148 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -111.9 | 109.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 193 | Y | 33.1 | Very low | 39.8 | Very low | 215 Ų | 215 | 146.9 Ų | 146.9 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | -62.3 | 133.6 | 161.1 | 56.6 | -83.4 | 0 | 0 | 0 | 108.5 | ||||
| 194 | E | 39.8 | Very low | 40.6 | Very low | 175 Ų | 175 | 147.1 Ų | 147.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -141.3 | 106.7 | 161.5 | -104.8 | -95.2 | 118.6 | 0 | 0 | 107.8 | ||||
| 195 | V | 36.9 | Very low | 41.3 | Very low | 134 Ų | 134 | 143.9 Ų | 143.9 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | -72.3 | 127.7 | 168.9 | 147.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 196 | G | 44.4 | Very low | 42.1 | Very low | 66 Ų | 66 | 145.4 Ų | 145.4 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | trans | 79.7 | 84.3 | 144.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 197 | Q | 35.1 | Very low | 42.2 | Very low | 167 Ų | 167 | 146.8 Ų | 146.8 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | trans | -136.7 | 109.2 | 142.5 | -83.8 | -172.3 | -45.3 | 0 | 0 | 110.2 | K199 | Q197-K199 PolarHBondContact O-N 3.22Š| ||
| 198 | R | 47.4 | Very low | 42.7 | Very low | 260 Ų | 260 | 151.2 Ų | 151.2 | 98% | 0.981 | 79% | 0.788 | S | S | * | * | trans | -58.2 | 95.2 | 166.8 | -80.6 | 175.2 | 161 | 138.9 | -5.7 | 108.9 | R200 | R198-R200 PolarHBondContact O-N 3.33Š| ||
| 199 | K | 47.5 | Very low | 43.9 | Very low | 182 Ų | 182 | 148.5 Ų | 148.5 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -74.4 | 112.1 | 166.8 | -69.3 | -179.4 | 177.5 | 177.8 | 0 | 107.9 | Q197 L201 | Q197-K199 PolarHBondContact O-N 3.22Å; K199-L201 PolarHBondContact O-N 3.11Å | ||
| 200 | R | 52.5 | Low | 43.7 | Very low | 235 Ų | 235 | 153 Ų | 153 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | -54.2 | 103.2 | 159.6 | -93.4 | -175 | -177.1 | -180 | 1.7 | 106.9 | R198 I202 | R198-R200 PolarHBondContact O-N 3.33Å; R200-I202 VanDerWaalsContact C-N 3.32Å; R200-I202 PolarHBondContact O-N 2.97Å; R200-I202 VanDerWaalsContact O-N 3.09Å | ||
| 201 | L | 43.1 | Very low | 43.8 | Very low | 166 Ų | 166 | 156.5 Ų | 156.5 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | trans | -72.2 | 99.2 | 159.5 | -84.3 | 159.3 | 0 | 0 | 0 | 106.1 | K199 S203 | K199-L201 PolarHBondContact O-N 3.11Å; L201-S203 PolarHBondContact O-N 2.89Å | ||
| 202 | I | 45.3 | Very low | 43.6 | Very low | 154 Ų | 154 | 161.3 Ų | 161.3 | 79% | 0.79 | 83% | 0.827 | S | S | * | * | trans | -62.3 | 90.5 | 158.2 | -57.8 | 162.6 | 0 | 0 | 0 | 104.1 | R200 S204 | R200-I202 VanDerWaalsContact C-N 3.32Å; R200-I202 PolarHBondContact O-N 2.97Å; R200-I202 VanDerWaalsContact O-N 3.09Å; I202-S204 PolarHBondContact O-N 3.09Å; I202-S204 VanDerWaalsContact O-N 3.11Å | ||
| 203 | S | 41.3 | Very low | 44.2 | Very low | 99 Ų | 99 | 165.7 Ų | 165.7 | 69% | 0.692 | 83% | 0.83 | S | S | * | * | trans | -64.4 | 108.5 | 166 | -179.5 | 0 | 0 | 0 | 0 | 105.6 | L201 V205 | L201-S203 PolarHBondContact O-N 2.89Å; S203-V205 PolarHBondContact O-N 3.4Å | ||
| 204 | S | 49.2 | Very low | 44.8 | Very low | 84 Ų | 84 | 163.1 Ų | 163.1 | 59% | 0.587 | 83% | 0.829 | S | S | * | * | trans | -47.8 | 115.5 | 167.5 | 169.1 | 0 | 0 | 0 | 0 | 108 | I202 E206 | I202-S204 PolarHBondContact O-N 3.09Å; I202-S204 VanDerWaalsContact O-N 3.11Å; S204-E206 VanDerWaalsContact C-N 3.29Å; S204-E206 PolarHBondContact O-N 2.9Å | ||
| 205 | V | 48.2 | Very low | 45 | Very low | 121 Ų | 121 | 162.4 Ų | 162.4 | 73% | 0.733 | 83% | 0.83 | S | S | * | * | trans | -78.5 | 85.8 | 167.8 | 164.2 | 0 | 0 | 0 | 0 | 105 | S203 | S203-V205 PolarHBondContact O-N 3.4Š| ||
| 206 | E | 49.8 | Very low | 45.5 | Very low | 166 Ų | 166 | 164.1 Ų | 164.1 | 78% | 0.776 | 83% | 0.831 | S | S | * | * | trans | -171.7 | 76.9 | 165.9 | -92.6 | 122.4 | -169.7 | 0 | 0 | 109 | S204 | S204-E206 VanDerWaalsContact C-N 3.29Å; S204-E206 PolarHBondContact O-N 2.9Å | ||
| 207 | D | 45.9 | Very low | 45.6 | Very low | 150 Ų | 150 | 170.2 Ų | 170.2 | 80% | 0.802 | 84% | 0.84 | S | S | * | * | trans | -151 | 60.1 | 147.1 | -145 | 5.9 | 0 | 0 | 0 | 109.1 | ||||
| 208 | F | 44.3 | Very low | 46.3 | Very low | 200 Ų | 200 | 170.4 Ų | 170.4 | 88% | 0.877 | 84% | 0.844 | S | S | * | * | trans | -110.2 | 63.5 | 170.7 | -89.7 | -78.8 | 0 | 0 | 0 | 108.9 | ||||
| 209 | T | 56.7 | Low | 46.2 | Very low | 123 Ų | 123 | 164 Ų | 164 | 76% | 0.755 | 84% | 0.835 | S | S | * | * | trans | -148.7 | 65.2 | 164.2 | 50.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 210 | E | 45.1 | Very low | 46.1 | Very low | 182 Ų | 182 | 162.6 Ų | 162.6 | 85% | 0.85 | 84% | 0.838 | S | S | * | * | trans | -160.2 | 71.4 | 151.7 | -128.2 | -179.2 | -173.1 | 0 | 0 | 112.3 | ||||
| 211 | F | 36.6 | Very low | 45.5 | Very low | 213 Ų | 213 | 156.6 Ų | 156.6 | 93% | 0.934 | 83% | 0.834 | S | S | * | * | trans | -151.2 | 86 | 156.3 | -85.7 | -74.9 | 0 | 0 | 0 | 109.5 | ||||
| 212 | V | 41.3 | Very low | 45.8 | Very low | 221 Ų | 221 | 155.7 Ų | 155.7 | 100% | 1.339 | 83% | 0.831 | S | S | * | * | trans | -142.5 | 0 | 139.3 | 177.8 | 0 | 0 | 0 | 0 | 107.3 |
Retrieved 212 of 212 residues in 66.9 ms
(Link to these results)