| 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 | 47.1 | Very low | 213 Ų | 213 | 114.4 Ų | 114.4 | 100% | 1.049 | 62% | 0.62 | S | S | * | * | 0 | 110.8 | 0 | -158.8 | 170.1 | -163.2 | 0 | 0 | 106.2 | |||||
| 2 | V | 36.6 | Very low | 47.3 | Very low | 117 Ų | 117 | 106.7 Ų | 106.7 | 71% | 0.709 | 59% | 0.587 | S | S | * | * | trans | -111.7 | 108.4 | -179.4 | -176.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 3 | E | 45.2 | Very low | 46.8 | Very low | 134 Ų | 134 | 103.9 Ų | 103.9 | 63% | 0.626 | 60% | 0.598 | S | S | * | * | trans | -74.7 | 133.6 | 168 | -71.6 | -176.2 | 91 | 0 | 0 | 108.3 | K11 | E3-K11 WeakPolarHBondContact OE1-CE 3.44Å; E3-K11 IonicContact OE1-NZ 2.7Å; E3-K11 PolarHBondContact OE1-NZ 2.98Å | ||
| 4 | W | 46.2 | Very low | 46.9 | Very low | 107 Ų | 107 | 102.6 Ų | 102.6 | 41% | 0.405 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.5 | 142.7 | 170.9 | 64 | -80.2 | 0 | 0 | 0 | 109.3 | N6 M15 | W4-N6 HydrophobicContact CE3-CB 4.34Å; W4-N6 HydrophobicContact CZ3-CB 3.76Å; W4-M15 HydrophobicContact CG-CE 4.44Å |
| 5 | T | 48.1 | Very low | 46.8 | Very low | 100 Ų | 100 | 106 Ų | 106 | 61% | 0.613 | 61% | 0.609 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.6 | 121.4 | 176.7 | -56.4 | 0 | 0 | 0 | 0 | 106.5 | ||
| 6 | N | 47 | Very low | 46.6 | Very low | 59 Ų | 59 | 103.1 Ų | 103.1 | 32% | 0.316 | 61% | 0.609 | S | S | . | * | trans | -70.5 | 158.8 | 173.8 | -158.5 | -29.4 | 0 | 0 | 0 | 109.5 | W4 T8 G9 I10 | W4-N6 HydrophobicContact CE3-CB 4.34Å; W4-N6 HydrophobicContact CZ3-CB 3.76Å; N6-T8 PolarHBondContact O-N 3.15Å; N6-G9 PolarHBondContact O-N 2.99Å; N6-I10 PolarHBondContact N-O 3.18Å | ||
| 7 | V | 50.5 | Low | 46.3 | Very low | 137 Ų | 137 | 105.4 Ų | 105.4 | 83% | 0.83 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | -14.4 | 177.9 | 79.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 8 | T | 57.3 | Low | 46.2 | Very low | 69 Ų | 69 | 105.5 Ų | 105.5 | 42% | 0.423 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89 | 4.9 | 174 | 53.4 | 0 | 0 | 0 | 0 | 114.6 | N6 I10 | N6-T8 PolarHBondContact O-N 3.15Å; T8-I10 PolarHBondContact O-N 3.25Å |
| 9 | G | 45.7 | Very low | 46.1 | Very low | 59 Ų | 59 | 105.7 Ų | 105.7 | 61% | 0.608 | 64% | 0.635 | S | S | * | * | trans | 72.2 | 9.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | N6 K11 | N6-G9 PolarHBondContact O-N 2.99Å; G9-K11 PolarHBondContact O-N 2.92Å | ||
| 10 | I | 50.8 | Low | 45.8 | Very low | 117 Ų | 117 | 104.3 Ų | 104.3 | 60% | 0.6 | 64% | 0.643 | S | S | * | * | trans | -79.7 | 115.7 | 174.7 | -56.2 | 175.9 | 0 | 0 | 0 | 108.1 | N6 T8 G12 | N6-I10 PolarHBondContact N-O 3.18Å; T8-I10 PolarHBondContact O-N 3.25Å; I10-G12 PolarHBondContact O-N 3.46Å | ||
| 11 | K | 49.9 | Very low | 46 | Very low | 146 Ų | 146 | 106.7 Ų | 106.7 | 64% | 0.635 | 65% | 0.652 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76.3 | 102.9 | 173.9 | -172.4 | 169.6 | 180 | 164.4 | 0 | 108.9 | E3 G9 | E3-K11 WeakPolarHBondContact OE1-CE 3.44Å; E3-K11 IonicContact OE1-NZ 2.7Å; E3-K11 PolarHBondContact OE1-NZ 2.98Å; G9-K11 PolarHBondContact O-N 2.92Å |
| 12 | G | 50 | Low | 46.4 | Very low | 22 Ų | 22 | 107.7 Ų | 107.7 | 23% | 0.227 | 64% | 0.644 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.4 | 125.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | I10 | I10-G12 PolarHBondContact O-N 3.46Å |
| 13 | G | 41 | Very low | 47.2 | Very low | 71 Ų | 71 | 106.6 Ų | 106.6 | 73% | 0.732 | 63% | 0.634 | S | S | * | * | trans | -71.8 | 152.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 14 | S | 47.5 | Very low | 47.7 | Very low | 86 Ų | 86 | 104.1 Ų | 104.1 | 60% | 0.601 | 63% | 0.628 | S | S | * | * | trans | 1.9 | 111.8 | 176.5 | -70.9 | 0 | 0 | 0 | 0 | 118.2 | G16 | S14-G16 PolarHBondContact O-N 3.02Š| ||
| 15 | M | 46 | Very low | 48 | Very low | 153 Ų | 153 | 107.4 Ų | 107.4 | 75% | 0.754 | 65% | 0.648 | S | S | * | * | trans | -71.8 | 76.9 | 160.4 | -156.1 | 179.3 | -73.2 | 0 | 0 | 108.8 | W4 | W4-M15 HydrophobicContact CG-CE 4.44Š| ||
| 16 | G | 42.6 | Very low | 48.2 | Very low | 60 Ų | 60 | 110.9 Ų | 110.9 | 62% | 0.619 | 65% | 0.654 | S | S | * | * | trans | -93.1 | 112.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | S14 | S14-G16 PolarHBondContact O-N 3.02Š| ||
| 17 | N | 42.4 | Very low | 48.4 | Very low | 141 Ų | 141 | 112.9 Ų | 112.9 | 75% | 0.754 | 66% | 0.662 | S | S | * | * | trans | 52.2 | 98.7 | 166.7 | -139 | 29.1 | 0 | 0 | 0 | 116.7 | T19 | N17-T19 PolarHBondContact ND2-OG1 3.48Å; N17-T19 PolarHBondContact O-N 3Å | ||
| 18 | A | 43.4 | Very low | 48.5 | Very low | 108 Ų | 108 | 112.8 Ų | 112.8 | 89% | 0.893 | 65% | 0.65 | S | S | * | * | trans | -68.6 | 62.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 19 | T | 44.8 | Very low | 48 | Very low | 109 Ų | 109 | 116.1 Ų | 116.1 | 67% | 0.669 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -138.6 | 81.2 | 172.5 | 10.3 | 0 | 0 | 0 | 0 | 109.9 | N17 | N17-T19 PolarHBondContact ND2-OG1 3.48Å; N17-T19 PolarHBondContact O-N 3Å |
| 20 | G | 40.5 | Very low | 48.2 | Very low | 77 Ų | 77 | 117 Ų | 117 | 79% | 0.794 | 65% | 0.653 | S | S | * | * | trans | 91.2 | 22.5 | 152.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | R22 | G20-R22 PolarHBondContact O-N 3.45Å; G20-R22 VanDerWaalsContact O-N 3.17Å | ||
| 21 | D | 49.7 | Very low | 48.1 | Very low | 156 Ų | 156 | 116.1 Ų | 116.1 | 83% | 0.834 | 65% | 0.649 | S | S | * | * | trans | -70.2 | 111.6 | 171.5 | -116.3 | -86 | 0 | 0 | 0 | 110.4 | L23 | D21-L23 PolarHBondContact O-N 2.87Š| ||
| 22 | R | 48.2 | Very low | 48 | Very low | 233 Ų | 233 | 113.7 Ų | 113.7 | 88% | 0.879 | 64% | 0.643 | S | S | * | * | trans | -58.4 | 109.8 | 177.3 | -81.6 | 168.3 | 77.5 | -178.8 | 4.7 | 108.5 | G20 T24 | G20-R22 PolarHBondContact O-N 3.45Å; G20-R22 VanDerWaalsContact O-N 3.17Å; R22-T24 PolarHBondContact O-N 3.15Å; R22-T24 VanDerWaalsContact O-N 3.15Å | ||
| 23 | L | 53.9 | Low | 47.9 | Very low | 95 Ų | 95 | 119.9 Ų | 119.9 | 50% | 0.497 | 67% | 0.666 | S | S | . | * | trans | -47.5 | 123.9 | 166.4 | -67.9 | 167.4 | 0 | 0 | 0 | 109 | D21 E27 L31 | D21-L23 PolarHBondContact O-N 2.87Å; L23-E27 HydrophobicContact CB-CB 4.23Å; L23-E27 HydrophobicContact CD2-CB 3.94Å; L23-L31 HydrophobicContact CD1-CD1 3.59Å; L23-L31 HydrophobicContact CD2-CD1 4.26Å | ||
| 24 | T | 55.5 | Low | 48.6 | Very low | 82 Ų | 82 | 122.6 Ų | 122.6 | 50% | 0.503 | 65% | 0.654 | S | S | . | * | trans | -62.4 | 153 | 173 | 51.6 | 0 | 0 | 0 | 0 | 109.4 | R22 K26 E27 K28 | R22-T24 PolarHBondContact O-N 3.15Å; R22-T24 VanDerWaalsContact O-N 3.15Å; T24-K26 PolarHBondContact O-N 3.38Å; T24-E27 PolarHBondContact N-OE2 2.91Å; T24-E27 WeakPolarHBondContact O-CA 3.41Å; T24-E27 WeakPolarHBondContact O-CB 3.32Å; T24-E27 PolarHBondContact O-N 3.21Å; T24-E27 WeakPolarHBondContact OG1-CG 3.33Å; T24-E27 PolarHBondContact OG1-OE2 3.33Å; T24-K28 PolarHBondContact O-N 2.92Å | ||
| 25 | E | 54.2 | Low | 48.9 | Very low | 176 Ų | 176 | 127.5 Ų | 127.5 | 82% | 0.822 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -54.5 | -28.9 | -176 | -68.5 | -179.4 | 97.4 | 0 | 0 | 112.9 | F29 | E25-F29 VanDerWaalsContact O-CB 3.29Å; E25-F29 WeakPolarHBondContact O-CB 3.26Å; E25-F29 PolarHBondContact O-N 2.97Å |
| 26 | K | 50.3 | Low | 49.3 | Very low | 172 Ų | 172 | 122 Ų | 122 | 75% | 0.748 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.3 | -39.7 | 173.3 | -70 | -175.2 | 174.8 | -177.5 | 0 | 113.2 | T24 F29 T30 | T24-K26 PolarHBondContact O-N 3.38Å; K26-F29 PolarHBondContact O-N 2.89Å; K26-T30 PolarHBondContact O-N 3.4Å; K26-T30 PolarHBondContact O-OG1 3.31Å |
| 27 | E | 52 | Low | 50 | Low | 102 Ų | 102 | 123 Ų | 123 | 48% | 0.477 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -73.3 | -35.2 | 175.7 | -66.9 | -178.5 | 114.3 | 0 | 0 | 111.2 | L23 T24 T30 L31 | L23-E27 HydrophobicContact CB-CB 4.23Å; L23-E27 HydrophobicContact CD2-CB 3.94Å; T24-E27 PolarHBondContact N-OE2 2.91Å; T24-E27 WeakPolarHBondContact O-CA 3.41Å; T24-E27 WeakPolarHBondContact O-CB 3.32Å; T24-E27 PolarHBondContact O-N 3.21Å; T24-E27 WeakPolarHBondContact OG1-CG 3.33Å; T24-E27 PolarHBondContact OG1-OE2 3.33Å; E27-T30 PolarHBondContact O-N 2.87Å; E27-L31 WeakPolarHBondContact O-CB 3.42Å; E27-L31 PolarHBondContact O-N 2.89Å |
| 28 | K | 52.5 | Low | 50.9 | Low | 134 Ų | 134 | 121.3 Ų | 121.3 | 58% | 0.583 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -63.5 | -42.2 | 170.6 | -165.1 | -176.8 | 178.6 | -165.4 | 0 | 111.7 | T24 L31 D32 | T24-K28 PolarHBondContact O-N 2.92Å; K28-L31 WeakPolarHBondContact O-CB 3.28Å; K28-L31 PolarHBondContact O-N 2.67Å; K28-D32 PolarHBondContact O-N 3.38Å |
| 29 | F | 47.7 | Very low | 51.7 | Low | 139 Ų | 139 | 124.2 Ų | 124.2 | 61% | 0.61 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.9 | -39.4 | 178.9 | -161.6 | -94.7 | 0 | 0 | 0 | 112 | E25 K26 L31 D32 E33 | E25-F29 VanDerWaalsContact O-CB 3.29Å; E25-F29 WeakPolarHBondContact O-CB 3.26Å; E25-F29 PolarHBondContact O-N 2.97Å; K26-F29 PolarHBondContact O-N 2.89Å; F29-L31 VanDerWaalsContact C-N 3.29Å; F29-L31 PolarHBondContact O-N 3.34Å; F29-D32 PolarHBondContact O-N 2.95Å; F29-E33 WeakPolarHBondContact CD1-OE2 3.38Å; F29-E33 HydrophobicContact CE1-CG 4.4Å; F29-E33 WeakPolarHBondContact CE1-OE2 3.17Å; F29-E33 PolarHBondContact O-N 3.07Å |
| 30 | T | 49.5 | Very low | 52.6 | Low | 78 Ų | 78 | 123.8 Ų | 123.8 | 48% | 0.479 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -68.4 | -29.8 | 174.8 | -46.4 | 0 | 0 | 0 | 0 | 112 | K26 E27 R34 | K26-T30 PolarHBondContact O-N 3.4Å; K26-T30 PolarHBondContact O-OG1 3.31Å; E27-T30 PolarHBondContact O-N 2.87Å; T30-R34 WeakPolarHBondContact O-CB 3.43Å; T30-R34 WeakPolarHBondContact O-CG 3.03Å; T30-R34 PolarHBondContact O-N 3.06Å |
| 31 | L | 48.3 | Very low | 53.7 | Low | 99 Ų | 99 | 123 Ų | 123 | 52% | 0.518 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -75 | -33.2 | 172.4 | -106.1 | 147.5 | 0 | 0 | 0 | 112.8 | L23 E27 K28 F29 R34 R35 | L23-L31 HydrophobicContact CD1-CD1 3.59Å; L23-L31 HydrophobicContact CD2-CD1 4.26Å; E27-L31 WeakPolarHBondContact O-CB 3.42Å; E27-L31 PolarHBondContact O-N 2.89Å; K28-L31 WeakPolarHBondContact O-CB 3.28Å; K28-L31 PolarHBondContact O-N 2.67Å; F29-L31 VanDerWaalsContact C-N 3.29Å; F29-L31 PolarHBondContact O-N 3.34Å; L31-R34 CarbonylContact O-C 3.3Å; L31-R34 VanDerWaalsContact O-C 3.3Å; L31-R34 PolarHBondContact O-N 3.41Å; L31-R35 PolarHBondContact O-N 2.91Å |
| 32 | D | 48 | Very low | 54.3 | Low | 94 Ų | 94 | 119.5 Ų | 119.5 | 50% | 0.503 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -74 | -39 | 178.8 | -135.9 | -91.1 | 0 | 0 | 0 | 111.9 | K28 F29 R34 R35 | K28-D32 PolarHBondContact O-N 3.38Å; F29-D32 PolarHBondContact O-N 2.95Å; D32-R34 VanDerWaalsContact C-N 3.3Å; D32-R34 PolarHBondContact O-N 3.26Å; D32-R35 WeakPolarHBondContact O-CB 3.44Å; D32-R35 WeakPolarHBondContact O-CG 3.39Å; D32-R35 PolarHBondContact O-N 3.39Å |
| 33 | E | 48.9 | Very low | 55.2 | Low | 152 Ų | 152 | 112.3 Ų | 112.3 | 71% | 0.71 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -72.5 | -20.9 | 172 | -81 | -169.8 | 92 | 0 | 0 | 113.5 | F29 | F29-E33 WeakPolarHBondContact CD1-OE2 3.38Å; F29-E33 HydrophobicContact CE1-CG 4.4Å; F29-E33 WeakPolarHBondContact CE1-OE2 3.17Å; F29-E33 PolarHBondContact O-N 3.07Å |
| 34 | R | 54.5 | Low | 55.7 | Low | 128 Ų | 128 | 111.9 Ų | 111.9 | 48% | 0.483 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 32.1 | 168.7 | -65 | -162.6 | -162.9 | -175.3 | 7.1 | 112.8 | T30 L31 D32 C36 | T30-R34 WeakPolarHBondContact O-CB 3.43Å; T30-R34 WeakPolarHBondContact O-CG 3.03Å; T30-R34 PolarHBondContact O-N 3.06Å; L31-R34 CarbonylContact O-C 3.3Å; L31-R34 VanDerWaalsContact O-C 3.3Å; L31-R34 PolarHBondContact O-N 3.41Å; D32-R34 VanDerWaalsContact C-N 3.3Å; D32-R34 PolarHBondContact O-N 3.26Å; R34-C36 PolarHBondContact O-N 2.85Å |
| 35 | R | 53.8 | Low | 56.1 | Low | 189 Ų | 189 | 108.9 Ų | 108.9 | 71% | 0.713 | 52% | 0.519 | S | S | * | . | trans | -68.9 | 69.2 | 160.5 | -71.2 | 179.6 | 89.9 | -172.6 | 6 | 109 | L31 D32 S37 | L31-R35 PolarHBondContact O-N 2.91Å; D32-R35 WeakPolarHBondContact O-CB 3.44Å; D32-R35 WeakPolarHBondContact O-CG 3.39Å; D32-R35 PolarHBondContact O-N 3.39Å; R35-S37 PolarHBondContact O-N 3.08Å | ||
| 36 | C | 54 | Low | 56.7 | Low | 39 Ų | 39 | 103.2 Ų | 103.2 | 26% | 0.264 | 50% | 0.503 | S | S | . | . | trans | -46.3 | 117.2 | 151.5 | -68.3 | 0 | 0 | 0 | 0 | 105.2 | R34 H38 E40 I41 | R34-C36 PolarHBondContact O-N 2.85Å; C36-H38 PolarHBondContact O-N 3.41Å; C36-E40 WeakPolarHBondContact CA-OE1 3.44Å; C36-E40 HydrophobicContact CB-CB 4.03Å; C36-E40 HydrophobicContact CB-CG 4.21Å; C36-E40 PolarHBondContact SG-OE1 3.48Å; C36-I41 HydrophobicContact CB-CD1 4.23Å; C36-I41 HydrophobicContact CB-CG1 3.5Å; C36-I41 VanDerWaalsContact CB-CG1 3.5Å | ||
| 37 | S | 58.8 | Low | 57.6 | Low | 81 Ų | 81 | 99.4 Ų | 99.4 | 57% | 0.566 | 49% | 0.49 | S | S | * | . | trans | -52.9 | 147 | 170.3 | -75.6 | 0 | 0 | 0 | 0 | 107.2 | R35 K39 E40 I41 | R35-S37 PolarHBondContact O-N 3.08Å; S37-K39 CarbonylContact O-C 3.47Å; S37-K39 PolarHBondContact O-N 2.72Å; S37-E40 WeakPolarHBondContact O-CA 3.29Å; S37-E40 WeakPolarHBondContact O-CB 3.45Å; S37-E40 PolarHBondContact O-N 3.09Å; S37-I41 PolarHBondContact O-N 3.46Å; S37-I41 VanDerWaalsContact O-N 3.13Å | ||
| 38 | H | 59.9 | Low | 58.3 | Low | 104 Ų | 104 | 95.7 Ų | 95.7 | 48% | 0.481 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -43.8 | -34.8 | 175.8 | -176.4 | 62.6 | 0 | 0 | 0 | 112.9 | C36 K42 | C36-H38 PolarHBondContact O-N 3.41Å; H38-K42 WeakPolarHBondContact NE2-CE 3.37Å; H38-K42 WeakPolarHBondContact O-CG 3.4Å; H38-K42 PolarHBondContact O-N 3.22Å; H38-K42 VanDerWaalsContact O-N 3.09Å |
| 39 | K | 61 | Low | 58.8 | Low | 170 Ų | 170 | 92 Ų | 92 | 74% | 0.739 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60.8 | -45.1 | 171.9 | -64.6 | -175.7 | 179 | -179.3 | 0 | 113.7 | S37 K42 V43 | S37-K39 CarbonylContact O-C 3.47Å; S37-K39 PolarHBondContact O-N 2.72Å; K39-K42 PolarHBondContact O-N 3.13Å; K39-V43 WeakPolarHBondContact O-CG2 3.11Å; K39-V43 PolarHBondContact O-N 2.87Å |
| 40 | E | 63.5 | Low | 59.8 | Low | 99 Ų | 99 | 92.1 Ų | 92.1 | 46% | 0.463 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -70.1 | -36.3 | 179.9 | -169.6 | 171.2 | 96.4 | 0 | 0 | 112.2 | C36 S37 V43 N44 | C36-E40 WeakPolarHBondContact CA-OE1 3.44Å; C36-E40 HydrophobicContact CB-CB 4.03Å; C36-E40 HydrophobicContact CB-CG 4.21Å; C36-E40 PolarHBondContact SG-OE1 3.48Å; S37-E40 WeakPolarHBondContact O-CA 3.29Å; S37-E40 WeakPolarHBondContact O-CB 3.45Å; S37-E40 PolarHBondContact O-N 3.09Å; E40-V43 PolarHBondContact O-N 2.77Å; E40-N44 WeakPolarHBondContact O-CB 3.48Å; E40-N44 PolarHBondContact O-N 3.46Å |
| 41 | I | 63 | Low | 60.6 | Low | 61 Ų | 61 | 94.2 Ų | 94.2 | 31% | 0.313 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.4 | -47.5 | 171.1 | -58.5 | 177.6 | 0 | 0 | 0 | 109.5 | C36 S37 V43 N44 V45 | C36-I41 HydrophobicContact CB-CD1 4.23Å; C36-I41 HydrophobicContact CB-CG1 3.5Å; C36-I41 VanDerWaalsContact CB-CG1 3.5Å; S37-I41 PolarHBondContact O-N 3.46Å; S37-I41 VanDerWaalsContact O-N 3.13Å; I41-V43 VanDerWaalsContact C-N 3.33Å; I41-V43 PolarHBondContact O-N 3.02Å; I41-N44 PolarHBondContact O-N 2.7Å; I41-V45 HydrophobicContact CG2-CG2 4.28Å; I41-V45 VanDerWaalsContact O-CB 3.29Å; I41-V45 WeakPolarHBondContact O-CB 2.8Å; I41-V45 WeakPolarHBondContact O-CG2 3.39Å; I41-V45 PolarHBondContact O-N 3.27Å |
| 42 | K | 63.8 | Low | 61.2 | Low | 83 Ų | 83 | 97 Ų | 97 | 36% | 0.361 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.5 | -39.4 | 176.3 | -74.9 | -169.8 | 170.7 | -152.1 | 0 | 112.9 | H38 K39 A46 E63 | H38-K42 WeakPolarHBondContact NE2-CE 3.37Å; H38-K42 WeakPolarHBondContact O-CG 3.4Å; H38-K42 PolarHBondContact O-N 3.22Å; H38-K42 VanDerWaalsContact O-N 3.09Å; K39-K42 PolarHBondContact O-N 3.13Å; K42-A46 VanDerWaalsContact O-CB 3.28Å; K42-A46 WeakPolarHBondContact O-CB 3.49Å; K42-A46 PolarHBondContact O-N 3.13Å; K42-E63 IonicContact NZ-OE1 2.77Å; K42-E63 PolarHBondContact NZ-OE1 3.24Å |
| 43 | V | 66.7 | Low | 62 | Low | 81 Ų | 81 | 101.8 Ų | 101.8 | 49% | 0.491 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.3 | -49 | 177.7 | 171.4 | 0 | 0 | 0 | 0 | 111 | K39 E40 I41 V45 A46 L47 | K39-V43 WeakPolarHBondContact O-CG2 3.11Å; K39-V43 PolarHBondContact O-N 2.87Å; E40-V43 PolarHBondContact O-N 2.77Å; I41-V43 VanDerWaalsContact C-N 3.33Å; I41-V43 PolarHBondContact O-N 3.02Å; V43-V45 PolarHBondContact O-N 3.25Å; V43-A46 PolarHBondContact O-N 3.19Å; V43-L47 HydrophobicContact CG1-CD1 4.02Å; V43-L47 HydrophobicContact CG1-CG 4.47Å; V43-L47 VanDerWaalsContact O-CG 3.32Å; V43-L47 WeakPolarHBondContact O-CG 3.4Å; V43-L47 PolarHBondContact O-N 3.38Å |
| 44 | N | 63.9 | Low | 62.5 | Low | 86 Ų | 86 | 97.5 Ų | 97.5 | 46% | 0.46 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.5 | -34.5 | 179.9 | -74.8 | -18.5 | 0 | 0 | 0 | 112.1 | E40 I41 A48 | E40-N44 WeakPolarHBondContact O-CB 3.48Å; E40-N44 PolarHBondContact O-N 3.46Å; I41-N44 PolarHBondContact O-N 2.7Å; N44-A48 WeakPolarHBondContact O-CB 3.5Å; N44-A48 PolarHBondContact O-N 2.77Å |
| 45 | V | 64.6 | Low | 62.8 | Low | 19 Ų | 19 | 96.3 Ų | 96.3 | 12% | 0.115 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -70.4 | -45.5 | 175.2 | 166.1 | 0 | 0 | 0 | 0 | 110.9 | I41 V43 L47 A48 I49 L54 F59 | I41-V45 HydrophobicContact CG2-CG2 4.28Å; I41-V45 VanDerWaalsContact O-CB 3.29Å; I41-V45 WeakPolarHBondContact O-CB 2.8Å; I41-V45 WeakPolarHBondContact O-CG2 3.39Å; I41-V45 PolarHBondContact O-N 3.27Å; V43-V45 PolarHBondContact O-N 3.25Å; V45-L47 VanDerWaalsContact C-N 3.25Å; V45-L47 PolarHBondContact O-N 2.95Å; V45-A48 PolarHBondContact O-N 3.05Å; V45-A48 VanDerWaalsContact O-N 3.15Å; V45-I49 HydrophobicContact CG1-CD1 3.74Å; V45-I49 HydrophobicContact CG1-CG1 4.34Å; V45-I49 VanDerWaalsContact O-CG1 3.26Å; V45-I49 WeakPolarHBondContact O-CG1 3.29Å; V45-I49 PolarHBondContact O-N 3.5Å; V45-L54 HydrophobicContact CG1-CD2 4.11Å; V45-F59 HydrophobicContact CB-CD2 3.99Å; V45-F59 HydrophobicContact CB-CE1 4.28Å; V45-F59 HydrophobicContact CB-CE2 3.58Å; V45-F59 HydrophobicContact CB-CZ 3.72Å; V45-F59 HydrophobicContact CG1-CB 4.22Å; V45-F59 HydrophobicContact CG1-CD1 3.63Å; V45-F59 HydrophobicContact CG1-CD2 3.12Å; V45-F59 HydrophobicContact CG1-CE1 3.68Å; V45-F59 HydrophobicContact CG1-CE2 3.23Å; V45-F59 HydrophobicContact CG1-CG 3.34Å; V45-F59 HydrophobicContact CG1-CZ 3.49Å; V45-F59 VanDerWaalsContact CG1-CZ 3.49Å; V45-F59 HydrophobicContact CG2-CD2 3.73Å; V45-F59 HydrophobicContact CG2-CE1 4.42Å; V45-F59 HydrophobicContact CG2-CE2 3Å; V45-F59 HydrophobicContact CG2-CZ 3.41Å; V45-F59 VanDerWaalsContact CG2-CZ 3.41Å |
| 46 | A | 66.2 | Low | 63.1 | Low | 58 Ų | 58 | 90.9 Ų | 90.9 | 48% | 0.479 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.6 | -41.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | K42 V43 I49 D50 | K42-A46 VanDerWaalsContact O-CB 3.28Å; K42-A46 WeakPolarHBondContact O-CB 3.49Å; K42-A46 PolarHBondContact O-N 3.13Å; V43-A46 PolarHBondContact O-N 3.19Å; A46-I49 PolarHBondContact O-N 3.47Å; A46-D50 WeakPolarHBondContact O-CB 3.35Å; A46-D50 PolarHBondContact O-N 3.43Å |
| 47 | L | 69.3 | Low | 63.5 | Low | 91 Ų | 91 | 92.4 Ų | 92.4 | 48% | 0.476 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 173.9 | -70.4 | 171.4 | 0 | 0 | 0 | 112.1 | V43 V45 I49 D50 E51 | V43-L47 HydrophobicContact CG1-CD1 4.02Å; V43-L47 HydrophobicContact CG1-CG 4.47Å; V43-L47 VanDerWaalsContact O-CG 3.32Å; V43-L47 WeakPolarHBondContact O-CG 3.4Å; V43-L47 PolarHBondContact O-N 3.38Å; V45-L47 VanDerWaalsContact C-N 3.25Å; V45-L47 PolarHBondContact O-N 2.95Å; L47-I49 VanDerWaalsContact C-N 3.33Å; L47-I49 PolarHBondContact O-N 3.4Å; L47-D50 PolarHBondContact O-N 3.25Å; L47-E51 WeakPolarHBondContact O-CG 3.47Å; L47-E51 PolarHBondContact O-N 3.27Å |
| 48 | A | 65.8 | Low | 63.5 | Low | 24 Ų | 24 | 97.9 Ų | 97.9 | 20% | 0.198 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -69.2 | -30.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | N44 V45 R53 L54 | N44-A48 WeakPolarHBondContact O-CB 3.5Å; N44-A48 PolarHBondContact O-N 2.77Å; V45-A48 PolarHBondContact O-N 3.05Å; V45-A48 VanDerWaalsContact O-N 3.15Å; A48-R53 CarbonylContact O-C 3.58Å; A48-R53 PolarHBondContact O-N 3.35Å; A48-L54 HydrophobicContact CB-CB 3.78Å; A48-L54 HydrophobicContact CB-CD2 4.12Å; A48-L54 PolarHBondContact O-N 2.98Å |
| 49 | I | 64.2 | Low | 63.5 | Low | 58 Ų | 58 | 94.1 Ų | 94.1 | 30% | 0.297 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.9 | -43.7 | 171.4 | -67.3 | 167.3 | 0 | 0 | 0 | 110 | V45 A46 L47 E51 D52 L54 P56 | V45-I49 HydrophobicContact CG1-CD1 3.74Å; V45-I49 HydrophobicContact CG1-CG1 4.34Å; V45-I49 VanDerWaalsContact O-CG1 3.26Å; V45-I49 WeakPolarHBondContact O-CG1 3.29Å; V45-I49 PolarHBondContact O-N 3.5Å; A46-I49 PolarHBondContact O-N 3.47Å; L47-I49 VanDerWaalsContact C-N 3.33Å; L47-I49 PolarHBondContact O-N 3.4Å; I49-E51 VanDerWaalsContact C-N 3.34Å; I49-E51 PolarHBondContact O-N 3.02Å; I49-D52 PolarHBondContact O-N 3.25Å; I49-D52 VanDerWaalsContact O-N 3.15Å; I49-L54 HydrophobicContact CG1-CB 4.28Å; I49-L54 HydrophobicContact CG1-CD2 4.36Å; I49-P56 HydrophobicContact CD1-CB 4.35Å; I49-P56 HydrophobicContact CG2-CB 4.3Å |
| 50 | D | 67.8 | Low | 63.3 | Low | 140 Ų | 140 | 90.3 Ų | 90.3 | 75% | 0.749 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.6 | -37.7 | 178.1 | -168.2 | -105.9 | 0 | 0 | 0 | 112.3 | A46 L47 D52 | A46-D50 WeakPolarHBondContact O-CB 3.35Å; A46-D50 PolarHBondContact O-N 3.43Å; L47-D50 PolarHBondContact O-N 3.25Å; D50-D52 PolarHBondContact O-N 2.89Å |
| 51 | E | 66 | Low | 63.1 | Low | 122 Ų | 122 | 90.2 Ų | 90.2 | 57% | 0.57 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | 6.8 | 175.4 | -69.8 | -168.1 | 99.3 | 0 | 0 | 114.3 | L47 I49 R53 | L47-E51 WeakPolarHBondContact O-CG 3.47Å; L47-E51 PolarHBondContact O-N 3.27Å; I49-E51 VanDerWaalsContact C-N 3.34Å; I49-E51 PolarHBondContact O-N 3.02Å; E51-R53 HydrophobicContact CB-CB 4.39Å; E51-R53 HydrophobicContact CB-CG 4.09Å; E51-R53 PolarHBondContact O-N 3.06Å |
| 52 | D | 62.5 | Low | 62.7 | Low | 157 Ų | 157 | 90.9 Ų | 90.9 | 84% | 0.84 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 16.8 | -173.7 | -154.3 | -116.7 | 0 | 0 | 0 | 113.4 | I49 D50 L54 | I49-D52 PolarHBondContact O-N 3.25Å; I49-D52 VanDerWaalsContact O-N 3.15Å; D50-D52 PolarHBondContact O-N 2.89Å; D52-L54 VanDerWaalsContact C-N 3.34Å |
| 53 | R | 63.4 | Low | 62.3 | Low | 196 Ų | 196 | 92.3 Ų | 92.3 | 74% | 0.74 | 49% | 0.486 | S | S | * | . | trans | -85.3 | -12.4 | 180 | -76.2 | -177.5 | 157.4 | -165 | -5.3 | 112.4 | A48 E51 | A48-R53 CarbonylContact O-C 3.58Å; A48-R53 PolarHBondContact O-N 3.35Å; E51-R53 HydrophobicContact CB-CB 4.39Å; E51-R53 HydrophobicContact CB-CG 4.09Å; E51-R53 PolarHBondContact O-N 3.06Å | ||
| 54 | L | 60.2 | Low | 62 | Low | 61 Ų | 61 | 96.4 Ų | 96.4 | 32% | 0.319 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -140.9 | 120.4 | -175.2 | -159.1 | 73.7 | 0 | 0 | 0 | 111.2 | V45 A48 I49 D52 | V45-L54 HydrophobicContact CG1-CD2 4.11Å; A48-L54 HydrophobicContact CB-CB 3.78Å; A48-L54 HydrophobicContact CB-CD2 4.12Å; A48-L54 PolarHBondContact O-N 2.98Å; I49-L54 HydrophobicContact CG1-CB 4.28Å; I49-L54 HydrophobicContact CG1-CD2 4.36Å; D52-L54 VanDerWaalsContact C-N 3.34Å |
| 55 | D | 60.6 | Low | 61.6 | Low | 103 Ų | 103 | 98.7 Ų | 98.7 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | trans | -70.7 | 121.3 | 178.3 | -154.7 | -67.9 | 0 | 0 | 0 | 109.8 | A57 R58 | D55-A57 PolarHBondContact O-N 3.24Å; D55-A57 WeakPolarHBondContact OD1-CB 3.41Å; D55-A57 PolarHBondContact OD1-N 2.98Å; D55-R58 HydrophobicContact CB-CG 4.33Å; D55-R58 PolarHBondContact O-N 3.11Å | ||
| 56 | P | 59.8 | Low | 60.7 | Low | 76 Ų | 76 | 105.1 Ų | 105.1 | 49% | 0.494 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -60.4 | -24.3 | -174.4 | 22.4 | -32.3 | 0 | 0 | 0 | 112.4 | I49 R58 F59 | I49-P56 HydrophobicContact CD1-CB 4.35Å; I49-P56 HydrophobicContact CG2-CB 4.3Å; P56-R58 PolarHBondContact O-N 2.89Å; P56-F59 PolarHBondContact O-N 2.83Å; P56-F59 VanDerWaalsContact O-N 3.08Å |
| 57 | A | 62.9 | Low | 60.4 | Low | 71 Ų | 71 | 107.5 Ų | 107.5 | 59% | 0.587 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -61.8 | -27.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D55 F59 | D55-A57 PolarHBondContact O-N 3.24Å; D55-A57 WeakPolarHBondContact OD1-CB 3.41Å; D55-A57 PolarHBondContact OD1-N 2.98Å; A57-F59 VanDerWaalsContact C-N 3.3Å |
| 58 | R | 59.4 | Low | 60 | Low | 195 Ų | 195 | 108.3 Ų | 108.3 | 74% | 0.736 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -79.1 | -13.8 | 177.7 | -55 | -154.8 | 86.7 | 179.2 | 6.2 | 113.1 | D55 P56 | D55-R58 HydrophobicContact CB-CG 4.33Å; D55-R58 PolarHBondContact O-N 3.11Å; P56-R58 PolarHBondContact O-N 2.89Å |
| 59 | F | 58.3 | Low | 59.6 | Low | 26 Ų | 26 | 113 Ų | 113 | 11% | 0.114 | 57% | 0.567 | C | S | . | * | H | α-helix | trans | -90.5 | -26.3 | 179.7 | -149.1 | -101.5 | 0 | 0 | 0 | 113.9 | V45 P56 A57 D61 L62 E63 | V45-F59 HydrophobicContact CB-CD2 3.99Å; V45-F59 HydrophobicContact CB-CE1 4.28Å; V45-F59 HydrophobicContact CB-CE2 3.58Å; V45-F59 HydrophobicContact CB-CZ 3.72Å; V45-F59 HydrophobicContact CG1-CB 4.22Å; V45-F59 HydrophobicContact CG1-CD1 3.63Å; V45-F59 HydrophobicContact CG1-CD2 3.12Å; V45-F59 HydrophobicContact CG1-CE1 3.68Å; V45-F59 HydrophobicContact CG1-CE2 3.23Å; V45-F59 HydrophobicContact CG1-CG 3.34Å; V45-F59 HydrophobicContact CG1-CZ 3.49Å; V45-F59 VanDerWaalsContact CG1-CZ 3.49Å; V45-F59 HydrophobicContact CG2-CD2 3.73Å; V45-F59 HydrophobicContact CG2-CE1 4.42Å; V45-F59 HydrophobicContact CG2-CE2 3Å; V45-F59 HydrophobicContact CG2-CZ 3.41Å; V45-F59 VanDerWaalsContact CG2-CZ 3.41Å; P56-F59 PolarHBondContact O-N 2.83Å; P56-F59 VanDerWaalsContact O-N 3.08Å; A57-F59 VanDerWaalsContact C-N 3.3Å; F59-D61 PolarHBondContact O-N 2.88Å; F59-D61 VanDerWaalsContact O-N 3.13Å; F59-L62 HydrophobicContact CD2-CB 3.92Å; F59-L62 HydrophobicContact CD2-CD1 3.67Å; F59-L62 HydrophobicContact CD2-CG 4.35Å; F59-L62 HydrophobicContact CE2-CB 3.8Å; F59-L62 HydrophobicContact CE2-CD1 3.65Å; F59-L62 HydrophobicContact CE2-CD2 4.29Å; F59-L62 HydrophobicContact CE2-CG 4.1Å; F59-L62 HydrophobicContact CG-CB 4.3Å; F59-L62 HydrophobicContact CZ-CB 4.15Å; F59-L62 WeakPolarHBondContact O-CA 3.49Å; F59-L62 WeakPolarHBondContact O-CB 3.44Å; F59-L62 PolarHBondContact O-N 3.15Å; F59-E63 HydrophobicContact CD1-CG 4.45Å; F59-E63 HydrophobicContact CE1-CG 4.31Å; F59-E63 PolarHBondContact O-N 2.85Å |
| 60 | T | 57 | Low | 59.4 | Low | 89 Ų | 89 | 116.2 Ų | 116.2 | 55% | 0.546 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -57.5 | -27.3 | 171.9 | -50.8 | 0 | 0 | 0 | 0 | 112.3 | ||
| 61 | D | 59.6 | Low | 58.8 | Low | 97 Ų | 97 | 114.8 Ų | 114.8 | 52% | 0.519 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -79.6 | -31.8 | 175.5 | -149.6 | -114.3 | 0 | 0 | 0 | 112.2 | F59 K64 L65 | F59-D61 PolarHBondContact O-N 2.88Å; F59-D61 VanDerWaalsContact O-N 3.13Å; D61-K64 PolarHBondContact O-N 3.05Å; D61-K64 VanDerWaalsContact O-N 3.11Å; D61-L65 PolarHBondContact O-N 3.17Å |
| 62 | L | 54 | Low | 58.4 | Low | 75 Ų | 75 | 114.3 Ų | 114.3 | 39% | 0.393 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.1 | -33.8 | 176.9 | -105.6 | 140.8 | 0 | 0 | 0 | 112.8 | F59 K64 L65 | F59-L62 HydrophobicContact CD2-CB 3.92Å; F59-L62 HydrophobicContact CD2-CD1 3.67Å; F59-L62 HydrophobicContact CD2-CG 4.35Å; F59-L62 HydrophobicContact CE2-CB 3.8Å; F59-L62 HydrophobicContact CE2-CD1 3.65Å; F59-L62 HydrophobicContact CE2-CD2 4.29Å; F59-L62 HydrophobicContact CE2-CG 4.1Å; F59-L62 HydrophobicContact CG-CB 4.3Å; F59-L62 HydrophobicContact CZ-CB 4.15Å; F59-L62 WeakPolarHBondContact O-CA 3.49Å; F59-L62 WeakPolarHBondContact O-CB 3.44Å; F59-L62 PolarHBondContact O-N 3.15Å; L62-K64 PolarHBondContact O-N 3.43Å; L62-L65 PolarHBondContact O-N 2.77Å |
| 63 | E | 56.2 | Low | 58.1 | Low | 113 Ų | 113 | 111.2 Ų | 111.2 | 53% | 0.528 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.9 | -14.4 | 172.1 | -70 | -154.7 | 111.9 | 0 | 0 | 113.6 | K42 F59 | K42-E63 IonicContact NZ-OE1 2.77Å; K42-E63 PolarHBondContact NZ-OE1 3.24Å; F59-E63 HydrophobicContact CD1-CG 4.45Å; F59-E63 HydrophobicContact CE1-CG 4.31Å; F59-E63 PolarHBondContact O-N 2.85Å |
| 64 | K | 60.3 | Low | 57.7 | Low | 168 Ų | 168 | 104.7 Ų | 104.7 | 73% | 0.73 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -14.3 | 174 | -69.7 | -179.2 | 179.4 | 177.9 | 0 | 113.6 | D61 L62 | D61-K64 PolarHBondContact O-N 3.05Å; D61-K64 VanDerWaalsContact O-N 3.11Å; L62-K64 PolarHBondContact O-N 3.43Å |
| 65 | L | 54.9 | Low | 57.5 | Low | 133 Ų | 133 | 108.3 Ų | 108.3 | 70% | 0.696 | 56% | 0.558 | S | S | * | * | trans | -99 | -0.2 | -177.9 | -79.6 | 162.7 | 0 | 0 | 0 | 113.6 | D61 L62 | D61-L65 PolarHBondContact O-N 3.17Å; L62-L65 PolarHBondContact O-N 2.77Å | ||
| 66 | L | 46.7 | Very low | 57.2 | Low | 154 Ų | 154 | 108.8 Ų | 108.8 | 81% | 0.806 | 56% | 0.559 | S | S | * | * | trans | -113.2 | 0 | 177.3 | -73.4 | 166.9 | 0 | 0 | 0 | 110.7 |
Retrieved 66 of 66 residues in 57.3 ms
(Link to these results)