| 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 | 48.1 | Very low | 58.6 | Low | 200 Ų | 200 | 85.5 Ų | 85.5 | 99% | 0.985 | 44% | 0.439 | S | S | * | . | 0 | 137.6 | 0 | -98.2 | -173.8 | -145.2 | 0 | 0 | 107 | |||||
| 2 | E | 54.4 | Low | 58.4 | Low | 153 Ų | 153 | 80.1 Ų | 80.1 | 72% | 0.715 | 41% | 0.412 | S | S | * | . | trans | -74 | 132 | 178.3 | -64.8 | 178.8 | 171.6 | 0 | 0 | 109.1 | S4 P5 | E2-S4 VanDerWaalsContact C-N 3.26Å; E2-S4 PolarHBondContact O-N 3.3Å; E2-P5 HydrophobicContact CB-CG 4.19Å; E2-P5 WeakPolarHBondContact O-CD 3.23Å; E2-P5 VanDerWaalsContact O-CG 3.23Å; E2-P5 WeakPolarHBondContact O-CG 3.2Å | ||
| 3 | L | 60.8 | Low | 57.1 | Low | 27 Ų | 27 | 78.7 Ų | 78.7 | 14% | 0.141 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -69.1 | -26.5 | 177.4 | -79.6 | 159.6 | 0 | 0 | 0 | 112.3 | L6 L7 L26 A59 A60 | L3-L6 PolarHBondContact O-N 3.18Å; L3-L7 WeakPolarHBondContact O-CG 3.4Å; L3-L7 PolarHBondContact O-N 2.98Å; L3-L7 VanDerWaalsContact O-N 3.09Å; L3-L26 HydrophobicContact CB-CD2 4.26Å; L3-L26 HydrophobicContact CD1-CD1 4.3Å; L3-L26 HydrophobicContact CD1-CD2 4.37Å; L3-A59 HydrophobicContact CD2-CB 4.21Å; L3-A60 HydrophobicContact CD2-CB 3.99Å |
| 4 | S | 58.1 | Low | 55.7 | Low | 79 Ų | 79 | 80.7 Ų | 80.7 | 55% | 0.552 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -58.4 | -46.1 | -176.7 | -50.6 | 0 | 0 | 0 | 0 | 115 | E2 H8 | E2-S4 VanDerWaalsContact C-N 3.26Å; E2-S4 PolarHBondContact O-N 3.3Å; S4-H8 PolarHBondContact O-N 3.34Å |
| 5 | P | 60.1 | Low | 54.3 | Low | 61 Ų | 61 | 84.1 Ų | 84.1 | 40% | 0.396 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.8 | -39.4 | 174.8 | 22.8 | -34.7 | 0 | 0 | 0 | 113.2 | E2 L7 H8 D9 | E2-P5 HydrophobicContact CB-CG 4.19Å; E2-P5 WeakPolarHBondContact O-CD 3.23Å; E2-P5 VanDerWaalsContact O-CG 3.23Å; E2-P5 WeakPolarHBondContact O-CG 3.2Å; P5-L7 VanDerWaalsContact C-N 3.35Å; P5-L7 PolarHBondContact O-N 3.18Å; P5-H8 WeakPolarHBondContact O-CB 3.5Å; P5-H8 PolarHBondContact O-N 3.49Å; P5-H8 VanDerWaalsContact O-N 3.08Å; P5-D9 PolarHBondContact O-N 3.31Å |
| 6 | L | 61.2 | Low | 52.9 | Low | 28 Ų | 28 | 85 Ų | 85 | 15% | 0.147 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -64.9 | -37.9 | 179.1 | -71.4 | 166.2 | 0 | 0 | 0 | 112.3 | L3 H8 L10 H55 A59 | L3-L6 PolarHBondContact O-N 3.18Å; L6-H8 VanDerWaalsContact C-N 3.28Å; L6-L10 WeakPolarHBondContact O-CB 3.35Å; L6-L10 WeakPolarHBondContact O-CG 3.38Å; L6-L10 PolarHBondContact O-N 3.01Å; L6-H55 HydrophobicContact CD2-CB 4.27Å; L6-A59 HydrophobicContact CD1-CB 3.9Å |
| 7 | L | 62.9 | Low | 52 | Low | 11 Ų | 11 | 86.7 Ų | 86.7 | 6% | 0.058 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -68.2 | -29.1 | 173.5 | -68.8 | 174.6 | 0 | 0 | 0 | 112.5 | L3 P5 H11 L12 L26 L32 L56 | L3-L7 WeakPolarHBondContact O-CG 3.4Å; L3-L7 PolarHBondContact O-N 2.98Å; L3-L7 VanDerWaalsContact O-N 3.09Å; P5-L7 VanDerWaalsContact C-N 3.35Å; P5-L7 PolarHBondContact O-N 3.18Å; L7-H11 PolarHBondContact O-N 3.18Å; L7-L12 HydrophobicContact CD2-CB 4.38Å; L7-L12 HydrophobicContact CD2-CD1 4.38Å; L7-L12 PolarHBondContact O-N 2.92Å; L7-L26 HydrophobicContact CD1-CD2 3.96Å; L7-L32 HydrophobicContact CD2-CD1 3.33Å; L7-L32 HydrophobicContact CD2-CD2 4.4Å; L7-L32 HydrophobicContact CD2-CG 4.49Å; L7-L56 HydrophobicContact CD2-CD1 3.96Å |
| 8 | H | 60 | Low | 50.9 | Low | 125 Ų | 125 | 91.1 Ų | 91.1 | 58% | 0.579 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -76 | -42.6 | 176 | -162 | 65.8 | 0 | 0 | 0 | 111.6 | S4 P5 L6 L10 H11 | S4-H8 PolarHBondContact O-N 3.34Å; P5-H8 WeakPolarHBondContact O-CB 3.5Å; P5-H8 PolarHBondContact O-N 3.49Å; P5-H8 VanDerWaalsContact O-N 3.08Å; L6-H8 VanDerWaalsContact C-N 3.28Å; H8-L10 VanDerWaalsContact C-N 3.31Å; H8-L10 PolarHBondContact O-N 2.75Å; H8-H11 WeakPolarHBondContact O-CA 3.34Å; H8-H11 PolarHBondContact O-N 3.02Å |
| 9 | D | 59.4 | Low | 49.9 | Very low | 98 Ų | 98 | 95.8 Ų | 95.8 | 52% | 0.524 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.3 | -36.1 | 176.3 | -70.3 | -17.1 | 0 | 0 | 0 | 112.1 | P5 H11 | P5-D9 PolarHBondContact O-N 3.31Å; D9-H11 PolarHBondContact O-N 3.46Å |
| 10 | L | 59.1 | Low | 49.1 | Very low | 5 Ų | 5 | 97.4 Ų | 97.4 | 3% | 0.026 | 55% | 0.546 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 0.5 | 171.7 | -74.7 | 163.5 | 0 | 0 | 0 | 112.6 | L6 H8 L12 L36 K39 L49 Q52 L56 | L6-L10 WeakPolarHBondContact O-CB 3.35Å; L6-L10 WeakPolarHBondContact O-CG 3.38Å; L6-L10 PolarHBondContact O-N 3.01Å; H8-L10 VanDerWaalsContact C-N 3.31Å; H8-L10 PolarHBondContact O-N 2.75Å; L10-L12 VanDerWaalsContact C-N 3.26Å; L10-L12 HydrophobicContact CB-CD1 3.47Å; L10-L12 VanDerWaalsContact CB-CD1 3.47Å; L10-L12 HydrophobicContact CB-CG 3.65Å; L10-L12 HydrophobicContact CD1-CD1 3.85Å; L10-L12 HydrophobicContact CG-CD1 4.23Å; L10-L12 WeakPolarHBondContact O-CG 3.44Å; L10-L12 PolarHBondContact O-N 3Å; L10-L36 HydrophobicContact CD1-CD2 4.42Å; L10-L36 HydrophobicContact CD2-CD2 4.43Å; L10-K39 PolarHBondContact O-NZ 3.38Å; L10-L49 HydrophobicContact CD2-CD2 4.28Å; L10-Q52 HydrophobicContact CD2-CB 3.78Å; L10-Q52 HydrophobicContact CG-CB 4.26Å; L10-L56 HydrophobicContact CD1-CB 4.43Å; L10-L56 HydrophobicContact CD1-CD1 3.55Å |
| 11 | H | 60.8 | Low | 48.1 | Very low | 153 Ų | 153 | 100.4 Ų | 100.4 | 71% | 0.708 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 47.5 | 43.7 | -171.8 | -58.4 | -74.9 | 0 | 0 | 0 | 113.2 | L7 H8 D9 K39 | L7-H11 PolarHBondContact O-N 3.18Å; H8-H11 WeakPolarHBondContact O-CA 3.34Å; H8-H11 PolarHBondContact O-N 3.02Å; D9-H11 PolarHBondContact O-N 3.46Å; H11-K39 PolarHBondContact O-NZ 2.98Å |
| 12 | L | 55.5 | Low | 47.7 | Very low | 21 Ų | 21 | 96.3 Ų | 96.3 | 11% | 0.11 | 54% | 0.543 | C | S | . | . | trans | -103.8 | -3.3 | -178.5 | -62.6 | 171.8 | 0 | 0 | 0 | 112.7 | L7 L10 L32 E35 L36 K39 | L7-L12 HydrophobicContact CD2-CB 4.38Å; L7-L12 HydrophobicContact CD2-CD1 4.38Å; L7-L12 PolarHBondContact O-N 2.92Å; L10-L12 VanDerWaalsContact C-N 3.26Å; L10-L12 HydrophobicContact CB-CD1 3.47Å; L10-L12 VanDerWaalsContact CB-CD1 3.47Å; L10-L12 HydrophobicContact CB-CG 3.65Å; L10-L12 HydrophobicContact CD1-CD1 3.85Å; L10-L12 HydrophobicContact CG-CD1 4.23Å; L10-L12 WeakPolarHBondContact O-CG 3.44Å; L10-L12 PolarHBondContact O-N 3Å; L12-L32 HydrophobicContact CB-CD1 3.89Å; L12-L32 HydrophobicContact CD1-CD1 3.51Å; L12-L32 HydrophobicContact CD1-CG 4.3Å; L12-L32 HydrophobicContact CG-CD1 4.21Å; L12-E35 HydrophobicContact CD2-CB 3.4Å; L12-E35 VanDerWaalsContact CD2-CB 3.4Å; L12-E35 HydrophobicContact CD2-CG 4.41Å; L12-L36 HydrophobicContact CD1-CD2 3.74Å; L12-L36 HydrophobicContact CD1-CG 4.01Å; L12-K39 HydrophobicContact CD2-CD 4.39Å | ||
| 13 | S | 41.9 | Very low | 47 | Very low | 62 Ų | 62 | 94.6 Ų | 94.6 | 43% | 0.434 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -77 | 124.1 | 172.5 | -40.7 | 0 | 0 | 0 | 0 | 109.3 | S15 | S13-S15 PolarHBondContact O-N 3.43Š|
| 14 | S | 37.5 | Very low | 46.1 | Very low | 107 Ų | 107 | 100.2 Ų | 100.2 | 75% | 0.748 | 58% | 0.579 | S | S | * | * | trans | -52 | 130.7 | 173.1 | 39.2 | 0 | 0 | 0 | 0 | 110.1 | S16 | S14-S16 PolarHBondContact O-N 3.21Š| ||
| 15 | S | 34.8 | Very low | 46.1 | Very low | 131 Ų | 131 | 102 Ų | 102 | 92% | 0.916 | 59% | 0.588 | S | S | * | * | trans | -67.5 | 80 | 175.1 | 41.7 | 0 | 0 | 0 | 0 | 110.4 | S13 | S13-S15 PolarHBondContact O-N 3.43Š| ||
| 16 | S | 31 | Very low | 46.1 | Very low | 99 Ų | 99 | 102.4 Ų | 102.4 | 69% | 0.692 | 59% | 0.587 | S | S | * | * | trans | -111.9 | 106.7 | 152.5 | 63.9 | 0 | 0 | 0 | 0 | 108.8 | S14 E18 | S14-S16 PolarHBondContact O-N 3.21Å; S16-E18 PolarHBondContact O-N 3.17Å | ||
| 17 | S | 38.8 | Very low | 46.5 | Very low | 114 Ų | 114 | 102.9 Ų | 102.9 | 80% | 0.797 | 59% | 0.592 | S | S | * | * | trans | -56.9 | 112.5 | 163.7 | 170 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 18 | E | 31.7 | Very low | 47.1 | Very low | 165 Ų | 165 | 105.5 Ų | 105.5 | 77% | 0.771 | 61% | 0.609 | S | S | * | * | 162.6 | 119.2 | 129.7 | -89.7 | -175.1 | 161.5 | 0 | 0 | 112.7 | S16 | S16-E18 PolarHBondContact O-N 3.17Š| |||
| 19 | K | 32.1 | Very low | 48 | Very low | 181 Ų | 181 | 100 Ų | 100 | 79% | 0.787 | 58% | 0.584 | S | S | * | * | trans | 59.2 | 145.6 | 155.9 | -66.3 | -178.9 | -176.8 | 171.7 | 0 | 120 | H21 | K19-H21 PolarHBondContact O-N 3.03Š| ||
| 20 | P | 33.6 | Very low | 48.9 | Very low | 128 Ų | 128 | 97.5 Ų | 97.5 | 83% | 0.831 | 57% | 0.572 | S | S | * | * | trans | -83 | 108.8 | -175.5 | 33.7 | -30.1 | 0 | 0 | 0 | 110.5 | ||||
| 21 | H | 29 | Very low | 49.9 | Very low | 161 Ų | 161 | 102.8 Ų | 102.8 | 75% | 0.745 | 60% | 0.597 | S | S | * | * | trans | -112.2 | 144.7 | 159.2 | -84 | -62.3 | 0 | 0 | 0 | 109.5 | K19 | K19-H21 PolarHBondContact O-N 3.03Š| ||
| 22 | P | 38.7 | Very low | 50.9 | Low | 113 Ų | 113 | 95.8 Ų | 95.8 | 73% | 0.734 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -73.4 | 143.5 | -174.1 | 32.5 | -33.3 | 0 | 0 | 0 | 109.2 | ||
| 23 | S | 39 | Very low | 52.2 | Low | 117 Ų | 117 | 94.8 Ų | 94.8 | 82% | 0.818 | 56% | 0.559 | S | S | * | * | trans | 67.9 | 66.9 | 179.5 | 56.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 24 | N | 43.4 | Very low | 54.1 | Low | 146 Ų | 146 | 93.9 Ų | 93.9 | 78% | 0.781 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 127.1 | 149.8 | -90.3 | -11.6 | 0 | 0 | 0 | 108.1 | L26 | N24-L26 PolarHBondContact O-N 3.38Š|
| 25 | P | 56.8 | Low | 56.2 | Low | 116 Ų | 116 | 92.1 Ų | 92.1 | 75% | 0.753 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 132.4 | 171.3 | 24.6 | -30.7 | 0 | 0 | 0 | 108.2 | ||
| 26 | L | 60.5 | Low | 58.5 | Low | 70 Ų | 70 | 86 Ų | 86 | 37% | 0.366 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -53.4 | 137.9 | 175.3 | -73.8 | 161.3 | 0 | 0 | 0 | 108.9 | L3 L7 N24 W64 | L3-L26 HydrophobicContact CB-CD2 4.26Å; L3-L26 HydrophobicContact CD1-CD1 4.3Å; L3-L26 HydrophobicContact CD1-CD2 4.37Å; L7-L26 HydrophobicContact CD1-CD2 3.96Å; N24-L26 PolarHBondContact O-N 3.38Å; L26-W64 HydrophobicContact CB-CZ2 3.93Å; L26-W64 VanDerWaalsContact CB-NE1 3.28Å; L26-W64 HydrophobicContact CD1-CD2 4.06Å; L26-W64 HydrophobicContact CD1-CG 3.98Å; L26-W64 HydrophobicContact CD2-CZ2 4.27Å; L26-W64 HydrophobicContact CG-CZ2 4.47Å |
| 27 | P | 70.1 | Confident | 61 | Low | 38 Ų | 38 | 84.5 Ų | 84.5 | 25% | 0.247 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 151 | 177.9 | 25 | -33.3 | 0 | 0 | 0 | 110.3 | I29 | P27-I29 PolarHBondContact O-N 3.43Š|
| 28 | P | 74.6 | Confident | 63.1 | Low | 65 Ų | 65 | 84.8 Ų | 84.8 | 42% | 0.422 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 135.7 | 175 | 26.1 | -33.3 | 0 | 0 | 0 | 109.5 | T30 E31 L32 | P28-T30 PolarHBondContact O-N 3.04Å; P28-T30 VanDerWaalsContact O-N 3.11Å; P28-E31 HydrophobicContact CG-CB 4.08Å; P28-E31 HydrophobicContact CG-CG 3.72Å; P28-E31 WeakPolarHBondContact CG-OE2 3.41Å; P28-E31 PolarHBondContact O-N 3.46Å; P28-E31 VanDerWaalsContact O-N 3.07Å; P28-L32 PolarHBondContact O-N 2.9Å |
| 29 | I | 79 | Confident | 65.4 | Low | 10 Ų | 10 | 79.3 Ų | 79.3 | 5% | 0.051 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -58.2 | -30.2 | -173.1 | -171.9 | 61.2 | 0 | 0 | 0 | 112.5 | P27 L32 L33 W64 L65 P67 L80 | P27-I29 PolarHBondContact O-N 3.43Å; I29-L32 HydrophobicContact CD1-CD2 3.84Å; I29-L32 PolarHBondContact O-N 3.49Å; I29-L33 HydrophobicContact CD1-CG 4.36Å; I29-L33 HydrophobicContact CG1-CD1 4.02Å; I29-L33 HydrophobicContact CG1-CG 4.21Å; I29-L33 WeakPolarHBondContact O-CB 3.44Å; I29-L33 WeakPolarHBondContact O-CG 3.49Å; I29-L33 PolarHBondContact O-N 3.33Å; I29-W64 HydrophobicContact CD1-CH2 4.13Å; I29-W64 HydrophobicContact CD1-CZ2 4.48Å; I29-W64 HydrophobicContact CD1-CZ3 4.13Å; I29-L65 HydrophobicContact CD1-CD2 4.03Å; I29-P67 HydrophobicContact CG2-CG 4.01Å; I29-L80 HydrophobicContact CG2-CD1 3.66Å |
| 30 | T | 78.9 | Confident | 67.7 | Low | 45 Ų | 45 | 71.4 Ų | 71.4 | 28% | 0.276 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.6 | -41 | 177.2 | 46.8 | 0 | 0 | 0 | 0 | 112.9 | P28 S34 L80 | P28-T30 PolarHBondContact O-N 3.04Å; P28-T30 VanDerWaalsContact O-N 3.11Å; T30-S34 WeakPolarHBondContact O-CB 3.38Å; T30-S34 PolarHBondContact O-N 2.89Å; T30-L80 HydrophobicContact CG2-CB 4.37Å; T30-L80 HydrophobicContact CG2-CD1 3.88Å |
| 31 | E | 80.3 | Confident | 69.8 | Low | 117 Ų | 117 | 70.1 Ų | 70.1 | 55% | 0.547 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66 | -43.6 | 175.6 | -72.8 | 177 | -173.4 | 0 | 0 | 110.7 | P28 S34 E35 | P28-E31 HydrophobicContact CG-CB 4.08Å; P28-E31 HydrophobicContact CG-CG 3.72Å; P28-E31 WeakPolarHBondContact CG-OE2 3.41Å; P28-E31 PolarHBondContact O-N 3.46Å; P28-E31 VanDerWaalsContact O-N 3.07Å; E31-S34 PolarHBondContact O-N 3.09Å; E31-S34 PolarHBondContact O-OG 2.87Å; E31-E35 PolarHBondContact O-N 3.08Å |
| 32 | L | 81.8 | Confident | 71.5 | Confident | 5 Ų | 5 | 65.5 Ų | 65.5 | 3% | 0.026 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.2 | -48.2 | 177.3 | -172.3 | 82.6 | 0 | 0 | 0 | 112 | L7 L12 P28 I29 S34 E35 L36 L56 W64 | L7-L32 HydrophobicContact CD2-CD1 3.33Å; L7-L32 HydrophobicContact CD2-CD2 4.4Å; L7-L32 HydrophobicContact CD2-CG 4.49Å; L12-L32 HydrophobicContact CB-CD1 3.89Å; L12-L32 HydrophobicContact CD1-CD1 3.51Å; L12-L32 HydrophobicContact CD1-CG 4.3Å; L12-L32 HydrophobicContact CG-CD1 4.21Å; P28-L32 PolarHBondContact O-N 2.9Å; I29-L32 HydrophobicContact CD1-CD2 3.84Å; I29-L32 PolarHBondContact O-N 3.49Å; L32-S34 VanDerWaalsContact C-N 3.28Å; L32-S34 PolarHBondContact O-N 2.85Å; L32-E35 PolarHBondContact O-N 2.97Å; L32-L36 HydrophobicContact CD2-CD1 4.44Å; L32-L36 HydrophobicContact CG-CD1 4.25Å; L32-L36 WeakPolarHBondContact O-CB 3.38Å; L32-L36 WeakPolarHBondContact O-CG 3.33Å; L32-L36 PolarHBondContact O-N 3.25Å; L32-L56 HydrophobicContact CD2-CD1 4.32Å; L32-L56 HydrophobicContact CD2-CD2 4.34Å; L32-W64 HydrophobicContact CD2-CH2 3.66Å; L32-W64 HydrophobicContact CD2-CZ2 4.45Å; L32-W64 HydrophobicContact CD2-CZ3 4.37Å |
| 33 | L | 82.2 | Confident | 72.4 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.005 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.3 | -39.3 | 177.9 | -71.2 | 172.3 | 0 | 0 | 0 | 110.9 | I29 E35 L36 Q37 A83 Y84 V87 | I29-L33 HydrophobicContact CD1-CG 4.36Å; I29-L33 HydrophobicContact CG1-CD1 4.02Å; I29-L33 HydrophobicContact CG1-CG 4.21Å; I29-L33 WeakPolarHBondContact O-CB 3.44Å; I29-L33 WeakPolarHBondContact O-CG 3.49Å; I29-L33 PolarHBondContact O-N 3.33Å; L33-E35 PolarHBondContact O-N 3.31Å; L33-L36 PolarHBondContact O-N 2.97Å; L33-Q37 WeakPolarHBondContact O-CB 3.17Å; L33-Q37 PolarHBondContact O-N 3.32Å; L33-A83 HydrophobicContact CB-CB 3.96Å; L33-A83 HydrophobicContact CD1-CB 3.91Å; L33-Y84 HydrophobicContact CD1-CD1 4.08Å; L33-Y84 HydrophobicContact CD1-CD2 3.77Å; L33-Y84 HydrophobicContact CD1-CE1 4.04Å; L33-Y84 HydrophobicContact CD1-CE2 3.74Å; L33-Y84 HydrophobicContact CD1-CG 3.94Å; L33-Y84 HydrophobicContact CD2-CD1 4.36Å; L33-Y84 HydrophobicContact CD2-CE1 4.18Å; L33-V87 HydrophobicContact CB-CG2 3.75Å; L33-V87 HydrophobicContact CD2-CB 4.23Å; L33-V87 HydrophobicContact CD2-CG1 4.3Å; L33-V87 HydrophobicContact CD2-CG2 3.8Å; L33-V87 HydrophobicContact CG-CG2 4.36Å; L33-V87 WeakPolarHBondContact O-CG2 3.45Å |
| 34 | S | 82.8 | Confident | 73 | Confident | 42 Ų | 42 | 61.9 Ų | 61.9 | 29% | 0.294 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.5 | -39.2 | 177.4 | 81.3 | 0 | 0 | 0 | 0 | 112.9 | T30 E31 L32 Q37 K38 | T30-S34 WeakPolarHBondContact O-CB 3.38Å; T30-S34 PolarHBondContact O-N 2.89Å; E31-S34 PolarHBondContact O-N 3.09Å; E31-S34 PolarHBondContact O-OG 2.87Å; L32-S34 VanDerWaalsContact C-N 3.28Å; L32-S34 PolarHBondContact O-N 2.85Å; S34-Q37 PolarHBondContact O-N 3.39Å; S34-K38 WeakPolarHBondContact O-CG 3.32Å; S34-K38 PolarHBondContact O-N 3.22Å |
| 35 | E | 81.6 | Confident | 73.8 | Confident | 70 Ų | 70 | 61.7 Ų | 61.7 | 33% | 0.327 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -73.9 | -37.1 | 177.1 | -75.6 | -59.6 | 139.3 | 0 | 0 | 112.1 | L12 E31 L32 L33 Q37 K38 K39 | L12-E35 HydrophobicContact CD2-CB 3.4Å; L12-E35 VanDerWaalsContact CD2-CB 3.4Å; L12-E35 HydrophobicContact CD2-CG 4.41Å; E31-E35 PolarHBondContact O-N 3.08Å; L32-E35 PolarHBondContact O-N 2.97Å; L33-E35 PolarHBondContact O-N 3.31Å; E35-Q37 VanDerWaalsContact C-N 3.34Å; E35-Q37 PolarHBondContact O-N 3.38Å; E35-K38 PolarHBondContact O-N 2.71Å; E35-K38 IonicContact OE1-NZ 3.7Å; E35-K38 PolarHBondContact OE1-NZ 3.37Å; E35-K39 WeakPolarHBondContact O-CG 2.91Å; E35-K39 PolarHBondContact O-N 3.26Å; E35-K39 VanDerWaalsContact O-N 3.1Å |
| 36 | L | 82 | Confident | 74.3 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 171.3 | -76.2 | 174.1 | 0 | 0 | 0 | 111.4 | L10 L12 L32 L33 K38 K39 L40 V53 V87 | L10-L36 HydrophobicContact CD1-CD2 4.42Å; L10-L36 HydrophobicContact CD2-CD2 4.43Å; L12-L36 HydrophobicContact CD1-CD2 3.74Å; L12-L36 HydrophobicContact CD1-CG 4.01Å; L32-L36 HydrophobicContact CD2-CD1 4.44Å; L32-L36 HydrophobicContact CG-CD1 4.25Å; L32-L36 WeakPolarHBondContact O-CB 3.38Å; L32-L36 WeakPolarHBondContact O-CG 3.33Å; L32-L36 PolarHBondContact O-N 3.25Å; L33-L36 PolarHBondContact O-N 2.97Å; L36-K38 PolarHBondContact O-N 3.41Å; L36-K39 PolarHBondContact O-N 3.27Å; L36-L40 WeakPolarHBondContact O-CB 3.47Å; L36-L40 VanDerWaalsContact O-CG 3.23Å; L36-L40 WeakPolarHBondContact O-CG 3.46Å; L36-L40 PolarHBondContact O-N 2.83Å; L36-V53 HydrophobicContact CD2-CG2 3.91Å; L36-V87 HydrophobicContact CB-CG2 4.45Å |
| 37 | Q | 84 | Confident | 74.7 | Confident | 68 Ų | 68 | 56.6 Ų | 56.6 | 32% | 0.318 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -56.2 | -50 | 175.6 | -176.5 | -160.2 | -2.2 | 0 | 0 | 111.2 | L33 S34 E35 K39 L40 T41 V87 A90 | L33-Q37 WeakPolarHBondContact O-CB 3.17Å; L33-Q37 PolarHBondContact O-N 3.32Å; S34-Q37 PolarHBondContact O-N 3.39Å; E35-Q37 VanDerWaalsContact C-N 3.34Å; E35-Q37 PolarHBondContact O-N 3.38Å; Q37-K39 VanDerWaalsContact C-N 3.28Å; Q37-K39 PolarHBondContact O-N 3.5Å; Q37-L40 PolarHBondContact O-N 3.47Å; Q37-T41 PolarHBondContact O-N 2.63Å; Q37-T41 PolarHBondContact O-OG1 3.22Å; Q37-V87 HydrophobicContact CB-CG2 4.14Å; Q37-A90 HydrophobicContact CG-CB 4.24Å |
| 38 | K | 83.3 | Confident | 75.1 | Confident | 119 Ų | 119 | 58.9 Ų | 58.9 | 52% | 0.517 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59 | -38.6 | -180 | -70.5 | 173.5 | -167.4 | 167.8 | 0 | 112.5 | S34 E35 L36 T41 G42 | S34-K38 WeakPolarHBondContact O-CG 3.32Å; S34-K38 PolarHBondContact O-N 3.22Å; E35-K38 PolarHBondContact O-N 2.71Å; E35-K38 IonicContact OE1-NZ 3.7Å; E35-K38 PolarHBondContact OE1-NZ 3.37Å; L36-K38 PolarHBondContact O-N 3.41Å; K38-T41 PolarHBondContact O-OG1 3.38Å; K38-G42 PolarHBondContact O-N 3.07Å |
| 39 | K | 80.7 | Confident | 75.5 | Confident | 51 Ų | 51 | 57 Ų | 57 | 22% | 0.222 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -73.5 | -37.8 | 179.1 | -69.1 | -175 | -173.3 | -172.2 | 0 | 112.2 | L10 H11 L12 E35 L36 Q37 T41 G42 V43 | L10-K39 PolarHBondContact O-NZ 3.38Å; H11-K39 PolarHBondContact O-NZ 2.98Å; L12-K39 HydrophobicContact CD2-CD 4.39Å; E35-K39 WeakPolarHBondContact O-CG 2.91Å; E35-K39 PolarHBondContact O-N 3.26Å; E35-K39 VanDerWaalsContact O-N 3.1Å; L36-K39 PolarHBondContact O-N 3.27Å; Q37-K39 VanDerWaalsContact C-N 3.28Å; Q37-K39 PolarHBondContact O-N 3.5Å; K39-T41 VanDerWaalsContact C-N 3.34Å; K39-G42 PolarHBondContact O-N 3.44Å; K39-V43 WeakPolarHBondContact O-CG2 3.47Å |
| 40 | L | 79.9 | Confident | 75.6 | Confident | 14 Ų | 14 | 56.6 Ų | 56.6 | 7% | 0.073 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.1 | -32.3 | 177.3 | -70.9 | 168.8 | 0 | 0 | 0 | 112.7 | L36 Q37 V87 A90 L91 | L36-L40 WeakPolarHBondContact O-CB 3.47Å; L36-L40 VanDerWaalsContact O-CG 3.23Å; L36-L40 WeakPolarHBondContact O-CG 3.46Å; L36-L40 PolarHBondContact O-N 2.83Å; Q37-L40 PolarHBondContact O-N 3.47Å; L40-V87 HydrophobicContact CD1-CG1 4.36Å; L40-A90 HydrophobicContact CB-CB 3.83Å; L40-A90 HydrophobicContact CD1-CB 4.16Å; L40-L91 HydrophobicContact CD1-CD2 3.68Å; L40-L91 HydrophobicContact CD1-CG 3.77Å; L40-L91 HydrophobicContact CD2-CD2 3.89Å; L40-L91 HydrophobicContact CG-CD2 4.46Å |
| 41 | T | 76.9 | Confident | 75.7 | Confident | 101 Ų | 101 | 55.6 Ų | 55.6 | 62% | 0.62 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -81.7 | -18.2 | 176.9 | 54.3 | 0 | 0 | 0 | 0 | 114 | Q37 K38 K39 A90 | Q37-T41 PolarHBondContact O-N 2.63Å; Q37-T41 PolarHBondContact O-OG1 3.22Å; K38-T41 PolarHBondContact O-OG1 3.38Å; K39-T41 VanDerWaalsContact C-N 3.34Å; T41-A90 HydrophobicContact CG2-CB 4.2Å |
| 42 | G | 64.3 | Low | 75.8 | Confident | 65 Ų | 65 | 53.1 Ų | 53.1 | 67% | 0.67 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -100.1 | -10.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 117 | K38 K39 | K38-G42 PolarHBondContact O-N 3.07Å; K39-G42 PolarHBondContact O-N 3.44Å |
| 43 | V | 57.7 | Low | 75.9 | Confident | 63 Ų | 63 | 52.9 Ų | 52.9 | 38% | 0.382 | 32% | 0.316 | S | S | . | . | trans | -117.2 | 128.1 | -165.9 | -179.1 | 0 | 0 | 0 | 0 | 113.2 | K39 E45 L49 | K39-V43 WeakPolarHBondContact O-CG2 3.47Å; V43-E45 HydrophobicContact CG1-CB 4.3Å; V43-L49 HydrophobicContact CB-CD1 3.66Å; V43-L49 HydrophobicContact CG1-CD1 3.63Å; V43-L49 HydrophobicContact CG2-CD1 3.83Å | ||
| 44 | A | 51.8 | Low | 76 | Confident | 90 Ų | 90 | 55 Ų | 55 | 74% | 0.744 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -71.6 | -24.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S46 | A44-S46 PolarHBondContact O-N 3.11Š|
| 45 | E | 59.9 | Low | 76.1 | Confident | 143 Ų | 143 | 57.6 Ų | 57.6 | 67% | 0.668 | 33% | 0.333 | S | S | * | . | trans | -98.2 | 72.2 | 175.7 | -67.2 | -171.4 | 172.8 | 0 | 0 | 111.4 | V43 S47 | V43-E45 HydrophobicContact CG1-CB 4.3Å; E45-S47 VanDerWaalsContact C-N 3.34Å; E45-S47 PolarHBondContact O-N 3Å | ||
| 46 | S | 67.1 | Low | 76.3 | Confident | 11 Ų | 11 | 54.3 Ų | 54.3 | 8% | 0.077 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -72.4 | -23.9 | -171 | -26.5 | 0 | 0 | 0 | 0 | 113.7 | A44 I50 | A44-S46 PolarHBondContact O-N 3.11Å; S46-I50 WeakPolarHBondContact O-CD1 3.37Å; S46-I50 WeakPolarHBondContact O-CG1 3.47Å; S46-I50 PolarHBondContact O-N 3.11Å |
| 47 | S | 70.4 | Confident | 76.4 | Confident | 68 Ų | 68 | 54.2 Ų | 54.2 | 48% | 0.476 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -71 | -39.8 | -167.9 | 52.8 | 0 | 0 | 0 | 0 | 114.5 | E45 I50 G51 | E45-S47 VanDerWaalsContact C-N 3.34Å; E45-S47 PolarHBondContact O-N 3Å; S47-I50 PolarHBondContact O-N 3.29Å; S47-G51 PolarHBondContact O-N 3.39Å |
| 48 | T | 78.8 | Confident | 76.5 | Confident | 85 Ų | 85 | 57 Ų | 57 | 52% | 0.521 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.5 | -41.5 | 178.4 | 52 | 0 | 0 | 0 | 0 | 111.2 | G51 Q52 | T48-G51 PolarHBondContact O-N 2.69Å; T48-Q52 WeakPolarHBondContact O-CG 3.37Å; T48-Q52 PolarHBondContact O-N 3.36Å |
| 49 | L | 81.8 | Confident | 76.4 | Confident | 27 Ų | 27 | 53 Ų | 53 | 14% | 0.141 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 174 | -77.6 | 165 | 0 | 0 | 0 | 112 | L10 V43 G51 Q52 V53 | L10-L49 HydrophobicContact CD2-CD2 4.28Å; V43-L49 HydrophobicContact CB-CD1 3.66Å; V43-L49 HydrophobicContact CG1-CD1 3.63Å; V43-L49 HydrophobicContact CG2-CD1 3.83Å; L49-G51 VanDerWaalsContact C-N 3.3Å; L49-G51 PolarHBondContact O-N 3.04Å; L49-Q52 PolarHBondContact O-N 2.59Å; L49-V53 WeakPolarHBondContact O-CG2 3.48Å; L49-V53 PolarHBondContact O-N 2.9Å |
| 50 | I | 81.4 | Confident | 76.5 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 175.9 | -66.9 | 156.7 | 0 | 0 | 0 | 110.9 | S46 S47 V53 E54 L91 C94 A121 V122 A125 | S46-I50 WeakPolarHBondContact O-CD1 3.37Å; S46-I50 WeakPolarHBondContact O-CG1 3.47Å; S46-I50 PolarHBondContact O-N 3.11Å; S47-I50 PolarHBondContact O-N 3.29Å; I50-V53 PolarHBondContact O-N 3.27Å; I50-E54 PolarHBondContact O-N 3.28Å; I50-L91 HydrophobicContact CG1-CD2 4.36Å; I50-C94 HydrophobicContact CD1-CB 3.96Å; I50-A121 HydrophobicContact CB-CB 4.31Å; I50-A121 VanDerWaalsContact CG2-C 3.46Å; I50-A121 HydrophobicContact CG2-CB 3.7Å; I50-A121 WeakPolarHBondContact CG2-O 3.48Å; I50-V122 HydrophobicContact CD1-CG2 3.65Å; I50-V122 HydrophobicContact CG1-CG2 4.27Å; I50-V122 HydrophobicContact CG2-CG2 4.42Å; I50-A125 HydrophobicContact CG2-CB 4.08Å |
| 51 | G | 81.6 | Confident | 76.4 | Confident | 24 Ų | 24 | 54.4 Ų | 54.4 | 25% | 0.247 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S47 T48 L49 E54 H55 | S47-G51 PolarHBondContact O-N 3.39Å; T48-G51 PolarHBondContact O-N 2.69Å; L49-G51 VanDerWaalsContact C-N 3.3Å; L49-G51 PolarHBondContact O-N 3.04Å; G51-E54 PolarHBondContact O-N 2.92Å; G51-H55 PolarHBondContact O-CD2 2.87Å; G51-H55 PolarHBondContact O-N 3.2Å |
| 52 | Q | 81.8 | Confident | 76.4 | Confident | 65 Ų | 65 | 50.8 Ų | 50.8 | 30% | 0.304 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.9 | -38.7 | 174 | -69.6 | 174.4 | -17.8 | 0 | 0 | 112.2 | L10 T48 L49 H55 L56 | L10-Q52 HydrophobicContact CD2-CB 3.78Å; L10-Q52 HydrophobicContact CG-CB 4.26Å; T48-Q52 WeakPolarHBondContact O-CG 3.37Å; T48-Q52 PolarHBondContact O-N 3.36Å; L49-Q52 PolarHBondContact O-N 2.59Å; Q52-H55 PolarHBondContact O-N 2.58Å; Q52-L56 WeakPolarHBondContact O-CB 3.49Å; Q52-L56 PolarHBondContact O-N 3.4Å |
| 53 | V | 83.6 | Confident | 76.9 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 174.1 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | L36 L49 I50 L56 F57 L91 | L36-V53 HydrophobicContact CD2-CG2 3.91Å; L49-V53 WeakPolarHBondContact O-CG2 3.48Å; L49-V53 PolarHBondContact O-N 2.9Å; I50-V53 PolarHBondContact O-N 3.27Å; V53-L56 WeakPolarHBondContact O-CB 3.46Å; V53-L56 PolarHBondContact O-N 3.32Å; V53-F57 HydrophobicContact CG1-CD2 3.9Å; V53-F57 HydrophobicContact CG1-CE2 3.34Å; V53-F57 HydrophobicContact CG1-CZ 3.7Å; V53-F57 WeakPolarHBondContact O-CD2 3.42Å; V53-F57 WeakPolarHBondContact O-CG 3.36Å; V53-F57 PolarHBondContact O-N 3.3Å; V53-L91 HydrophobicContact CG1-CD1 4.48Å; V53-L91 HydrophobicContact CG1-CD2 4.33Å |
| 54 | E | 85.8 | Confident | 78 | Confident | 44 Ų | 44 | 51.1 Ų | 51.1 | 21% | 0.206 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.3 | -47.9 | 174 | -178.7 | 175.7 | -174.6 | 0 | 0 | 111.7 | I50 G51 L56 F57 Q58 S124 A125 V128 | I50-E54 PolarHBondContact O-N 3.28Å; G51-E54 PolarHBondContact O-N 2.92Å; E54-L56 VanDerWaalsContact C-N 3.3Å; E54-L56 PolarHBondContact O-N 2.94Å; E54-F57 PolarHBondContact O-N 3Å; E54-Q58 WeakPolarHBondContact O-CB 3.29Å; E54-Q58 PolarHBondContact O-N 3.06Å; E54-S124 WeakPolarHBondContact OE1-CB 3.28Å; E54-S124 PolarHBondContact OE1-OG 3.01Å; E54-A125 HydrophobicContact CB-CB 3.98Å; E54-V128 HydrophobicContact CG-CG2 3.92Å |
| 55 | H | 83.9 | Confident | 79.2 | Confident | 97 Ų | 97 | 46.9 Ų | 46.9 | 45% | 0.449 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.9 | -37.4 | 176.3 | -79.8 | -56.7 | 0 | 0 | 0 | 112.7 | L6 G51 Q52 Q58 A59 | L6-H55 HydrophobicContact CD2-CB 4.27Å; G51-H55 PolarHBondContact O-CD2 2.87Å; G51-H55 PolarHBondContact O-N 3.2Å; Q52-H55 PolarHBondContact O-N 2.58Å; H55-Q58 PolarHBondContact O-N 3.36Å; H55-A59 WeakPolarHBondContact O-CB 3.11Å; H55-A59 PolarHBondContact O-N 3.08Å |
| 56 | L | 84.9 | Confident | 80 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.2 | -48.6 | 174.4 | -176.3 | 148.3 | 0 | 0 | 0 | 110.9 | L7 L10 L32 Q52 V53 E54 Q58 A59 A60 | L7-L56 HydrophobicContact CD2-CD1 3.96Å; L10-L56 HydrophobicContact CD1-CB 4.43Å; L10-L56 HydrophobicContact CD1-CD1 3.55Å; L32-L56 HydrophobicContact CD2-CD1 4.32Å; L32-L56 HydrophobicContact CD2-CD2 4.34Å; Q52-L56 WeakPolarHBondContact O-CB 3.49Å; Q52-L56 PolarHBondContact O-N 3.4Å; V53-L56 WeakPolarHBondContact O-CB 3.46Å; V53-L56 PolarHBondContact O-N 3.32Å; E54-L56 VanDerWaalsContact C-N 3.3Å; E54-L56 PolarHBondContact O-N 2.94Å; L56-Q58 VanDerWaalsContact C-N 3.27Å; L56-Q58 PolarHBondContact O-N 3.49Å; L56-A59 PolarHBondContact O-N 3.15Å; L56-A60 WeakPolarHBondContact O-CB 3.47Å; L56-A60 PolarHBondContact O-N 2.88Å |
| 57 | F | 84.8 | Confident | 80.3 | Confident | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.009 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.2 | -35 | 176.1 | -64.4 | -33.5 | 0 | 0 | 0 | 112 | V53 E54 L65 L91 V128 L129 N132 | V53-F57 HydrophobicContact CG1-CD2 3.9Å; V53-F57 HydrophobicContact CG1-CE2 3.34Å; V53-F57 HydrophobicContact CG1-CZ 3.7Å; V53-F57 WeakPolarHBondContact O-CD2 3.42Å; V53-F57 WeakPolarHBondContact O-CG 3.36Å; V53-F57 PolarHBondContact O-N 3.3Å; E54-F57 PolarHBondContact O-N 3Å; F57-L65 HydrophobicContact CD1-CD2 4.35Å; F57-L91 HydrophobicContact CE2-CD1 4.42Å; F57-V128 HydrophobicContact CB-CB 4.44Å; F57-V128 HydrophobicContact CB-CG1 3.78Å; F57-L129 HydrophobicContact CD1-CD1 3.97Å; F57-L129 HydrophobicContact CD2-CB 3.93Å; F57-L129 HydrophobicContact CD2-CD1 4.41Å; F57-L129 HydrophobicContact CE1-CD1 3.98Å; F57-L129 HydrophobicContact CE2-CB 4.18Å; F57-L129 HydrophobicContact CE2-CD1 4.4Å; F57-L129 HydrophobicContact CE2-CD2 4.3Å; F57-L129 HydrophobicContact CG-CB 4.3Å; F57-L129 HydrophobicContact CG-CD1 4.2Å; F57-L129 HydrophobicContact CZ-CD1 4.2Å; F57-L129 HydrophobicContact CZ-CD2 4.35Å; F57-N132 PolarHBondContact O-ND2 3.35Å |
| 58 | Q | 85.8 | Confident | 80 | Confident | 127 Ų | 127 | 43.6 Ų | 43.6 | 59% | 0.593 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -69.4 | -36.2 | 179 | -166.1 | 177.6 | 18 | 0 | 0 | 113 | E54 H55 L56 V128 | E54-Q58 WeakPolarHBondContact O-CB 3.29Å; E54-Q58 PolarHBondContact O-N 3.06Å; H55-Q58 PolarHBondContact O-N 3.36Å; L56-Q58 VanDerWaalsContact C-N 3.27Å; L56-Q58 PolarHBondContact O-N 3.49Å; Q58-V128 HydrophobicContact CB-CG1 3.89Å; Q58-V128 HydrophobicContact CG-CG1 4.49Å |
| 59 | A | 82.1 | Confident | 79.1 | Confident | 33 Ų | 33 | 42.1 Ų | 42.1 | 27% | 0.273 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -88.9 | -18.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L3 L6 H55 L56 | L3-A59 HydrophobicContact CD2-CB 4.21Å; L6-A59 HydrophobicContact CD1-CB 3.9Å; H55-A59 WeakPolarHBondContact O-CB 3.11Å; H55-A59 PolarHBondContact O-N 3.08Å; L56-A59 PolarHBondContact O-N 3.15Å |
| 60 | A | 81.4 | Confident | 77.7 | Confident | 6 Ų | 6 | 48.8 Ų | 48.8 | 5% | 0.05 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -76.3 | 142.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113 | L3 L56 W64 L65 | L3-A60 HydrophobicContact CD2-CB 3.99Å; L56-A60 WeakPolarHBondContact O-CB 3.47Å; L56-A60 PolarHBondContact O-N 2.88Å; A60-W64 HydrophobicContact CB-CE3 4.04Å; A60-W64 HydrophobicContact CB-CZ3 3.99Å; A60-L65 HydrophobicContact CB-CD1 3.74Å; A60-L65 HydrophobicContact CB-CD2 3.73Å; A60-L65 HydrophobicContact CB-CG 3.64Å |
| 61 | D | 79.6 | Confident | 76.3 | Confident | 89 Ų | 89 | 54.5 Ų | 54.5 | 48% | 0.476 | 30% | 0.297 | S | S | . | . | trans | -69.1 | 126 | 174.7 | -172.5 | -20.4 | 0 | 0 | 0 | 109.7 | D63 W64 L65 | D61-D63 PolarHBondContact O-N 3.38Å; D61-D63 PolarHBondContact OD1-N 3.07Å; D61-W64 HydrophobicContact CB-CB 4.11Å; D61-W64 PolarHBondContact O-N 3.45Å; D61-L65 PolarHBondContact O-N 3.16Å | ||
| 62 | P | 77.2 | Confident | 74.8 | Confident | 26 Ų | 26 | 60.3 Ų | 60.3 | 17% | 0.169 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -52.6 | -33.3 | 175.9 | -27.2 | 34.8 | 0 | 0 | 0 | 114.2 | W64 F66 N132 K135 R141 | P62-W64 VanDerWaalsContact C-N 3.34Å; P62-F66 WeakPolarHBondContact O-CB 3.41Å; P62-F66 WeakPolarHBondContact O-CD2 3.36Å; P62-F66 PolarHBondContact O-N 2.96Å; P62-N132 HydrophobicContact CG-CB 4.43Å; P62-K135 HydrophobicContact CG-CB 4.47Å; P62-K135 HydrophobicContact CG-CD 4.46Å; P62-R141 PolarHBondContact O-NH2 3.15Å |
| 63 | D | 74.8 | Confident | 73.4 | Confident | 94 Ų | 94 | 63.9 Ų | 63.9 | 50% | 0.503 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -78.3 | -21.4 | -179.7 | -69.6 | -29.4 | 0 | 0 | 0 | 112.8 | D61 F66 P67 R141 | D61-D63 PolarHBondContact O-N 3.38Å; D61-D63 PolarHBondContact OD1-N 3.07Å; D63-F66 CarbonylContact O-C 3.5Å; D63-P67 WeakPolarHBondContact O-CA 3.46Å; D63-R141 IonicContact OD1-CZ 2.96Å; D63-R141 IonicContact OD1-NH1 3.58Å; D63-R141 IonicContact OD1-NH2 2.75Å; D63-R141 PolarHBondContact OD1-NH2 3.01Å |
| 64 | W | 79.8 | Confident | 72.3 | Confident | 41 Ų | 41 | 70.4 Ų | 70.4 | 16% | 0.155 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -84.6 | -38.8 | 170.2 | 176.5 | 76 | 0 | 0 | 0 | 112.6 | L26 I29 L32 A60 D61 P62 F66 | L26-W64 HydrophobicContact CB-CZ2 3.93Å; L26-W64 VanDerWaalsContact CB-NE1 3.28Å; L26-W64 HydrophobicContact CD1-CD2 4.06Å; L26-W64 HydrophobicContact CD1-CG 3.98Å; L26-W64 HydrophobicContact CD2-CZ2 4.27Å; L26-W64 HydrophobicContact CG-CZ2 4.47Å; I29-W64 HydrophobicContact CD1-CH2 4.13Å; I29-W64 HydrophobicContact CD1-CZ2 4.48Å; I29-W64 HydrophobicContact CD1-CZ3 4.13Å; L32-W64 HydrophobicContact CD2-CH2 3.66Å; L32-W64 HydrophobicContact CD2-CZ2 4.45Å; L32-W64 HydrophobicContact CD2-CZ3 4.37Å; A60-W64 HydrophobicContact CB-CE3 4.04Å; A60-W64 HydrophobicContact CB-CZ3 3.99Å; D61-W64 HydrophobicContact CB-CB 4.11Å; D61-W64 PolarHBondContact O-N 3.45Å; P62-W64 VanDerWaalsContact C-N 3.34Å; W64-F66 VanDerWaalsContact C-N 3.29Å; W64-F66 PolarHBondContact O-N 3.44Å |
| 65 | L | 77.4 | Confident | 71.2 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63 | -38.9 | 173.9 | -73 | 173.7 | 0 | 0 | 0 | 111.4 | I29 F57 A60 D61 P67 Y84 N132 | I29-L65 HydrophobicContact CD1-CD2 4.03Å; F57-L65 HydrophobicContact CD1-CD2 4.35Å; A60-L65 HydrophobicContact CB-CD1 3.74Å; A60-L65 HydrophobicContact CB-CD2 3.73Å; A60-L65 HydrophobicContact CB-CG 3.64Å; D61-L65 PolarHBondContact O-N 3.16Å; L65-P67 VanDerWaalsContact C-CD 3.49Å; L65-P67 WeakPolarHBondContact O-CD 3.19Å; L65-Y84 PolarHBondContact O-OH 3.44Å; L65-N132 HydrophobicContact CD1-CB 4.18Å; L65-N132 VanDerWaalsContact CD1-ND2 3.32Å; L65-N132 WeakPolarHBondContact CD1-ND2 3.3Å |
| 66 | F | 76.8 | Confident | 70.5 | Confident | 5 Ų | 5 | 67.9 Ų | 67.9 | 2% | 0.022 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -121.7 | 75.5 | -179.7 | -52.8 | -63 | 0 | 0 | 0 | 109.6 | P62 D63 W64 Y84 L129 N132 W133 R141 L144 | P62-F66 WeakPolarHBondContact O-CB 3.41Å; P62-F66 WeakPolarHBondContact O-CD2 3.36Å; P62-F66 PolarHBondContact O-N 2.96Å; D63-F66 CarbonylContact O-C 3.5Å; W64-F66 VanDerWaalsContact C-N 3.29Å; W64-F66 PolarHBondContact O-N 3.44Å; F66-Y84 HydrophobicContact CD1-CE2 4.27Å; F66-Y84 HydrophobicContact CE1-CE1 4.07Å; F66-Y84 HydrophobicContact CE1-CE2 4.14Å; F66-Y84 AromaticContact CE1-CZ 3.61Å; F66-Y84 WeakPolarHBondContact CE1-OH 3.39Å; F66-L129 HydrophobicContact CZ-CD1 4.1Å; F66-N132 HydrophobicContact CE2-CB 4.11Å; F66-W133 HydrophobicContact CD1-CH2 4.11Å; F66-W133 HydrophobicContact CD1-CZ2 4.33Å; F66-W133 HydrophobicContact CD1-CZ3 4.21Å; F66-W133 HydrophobicContact CE1-CD2 4Å; F66-W133 AromaticContact CE1-CE3 3.45Å; F66-W133 HydrophobicContact CE1-CE3 3.45Å; F66-W133 VanDerWaalsContact CE1-CE3 3.45Å; F66-W133 AromaticContact CE1-CH2 3.37Å; F66-W133 HydrophobicContact CE1-CH2 3.37Å; F66-W133 AromaticContact CE1-CZ2 3.94Å; F66-W133 HydrophobicContact CE1-CZ2 3.94Å; F66-W133 AromaticContact CE1-CZ3 3.1Å; F66-W133 HydrophobicContact CE1-CZ3 3.1Å; F66-W133 HydrophobicContact CE2-CD2 4.25Å; F66-W133 AromaticContact CE2-CE3 3.97Å; F66-W133 HydrophobicContact CE2-CE3 3.97Å; F66-W133 HydrophobicContact CE2-CZ3 4.45Å; F66-W133 AromaticContact CZ-CD2 3.75Å; F66-W133 HydrophobicContact CZ-CD2 3.75Å; F66-W133 AromaticContact CZ-CE3 3.11Å; F66-W133 HydrophobicContact CZ-CE3 3.11Å; F66-W133 AromaticContact CZ-CH2 3.99Å; F66-W133 HydrophobicContact CZ-CH2 3.99Å; F66-W133 AromaticContact CZ-CZ3 3.27Å; F66-W133 HydrophobicContact CZ-CZ3 3.27Å; F66-R141 HydrophobicContact CB-CG 4.13Å; F66-R141 PolarHBondContact O-NH2 3.3Å; F66-L144 HydrophobicContact CD1-CD2 4.18Å; F66-L144 HydrophobicContact CE1-CD2 4.42Å |
| 67 | P | 72.3 | Confident | 70 | Confident | 49 Ų | 49 | 71.1 Ų | 71.1 | 32% | 0.318 | 39% | 0.388 | S | S | . | . | trans | -61.6 | 135 | -175.2 | 23.6 | -31.8 | 0 | 0 | 0 | 110.6 | I29 D63 L65 L69 | I29-P67 HydrophobicContact CG2-CG 4.01Å; D63-P67 WeakPolarHBondContact O-CA 3.46Å; L65-P67 VanDerWaalsContact C-CD 3.49Å; L65-P67 WeakPolarHBondContact O-CD 3.19Å; P67-L69 PolarHBondContact O-N 2.98Å | ||
| 68 | P | 63.6 | Low | 69.7 | Low | 100 Ų | 100 | 73.3 Ų | 73.3 | 65% | 0.649 | 41% | 0.406 | S | S | * | . | trans | -69.8 | 98.6 | 170.3 | 27.6 | -30.5 | 0 | 0 | 0 | 108.3 | L70 | P68-L70 PolarHBondContact O-N 3.39Š| ||
| 69 | L | 60.7 | Low | 69.6 | Low | 54 Ų | 54 | 73.3 Ų | 73.3 | 28% | 0.283 | 41% | 0.406 | S | S | . | . | trans | -60.1 | 123.3 | 173 | -85.2 | 92.4 | 0 | 0 | 0 | 109.3 | P67 L80 R140 | P67-L69 PolarHBondContact O-N 2.98Å; L69-L80 HydrophobicContact CD1-CD2 4.14Å; L69-R140 PolarHBondContact O-NH1 3.35Å | ||
| 70 | L | 52.8 | Low | 69.6 | Low | 166 Ų | 166 | 72.2 Ų | 72.2 | 87% | 0.869 | 40% | 0.396 | S | S | * | . | trans | -80.7 | -19 | -175.3 | -73.2 | 159.8 | 0 | 0 | 0 | 113.2 | P68 | P68-L70 PolarHBondContact O-N 3.39Š| ||
| 71 | D | 51.2 | Low | 69.7 | Low | 121 Ų | 121 | 74.6 Ų | 74.6 | 65% | 0.647 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -120.9 | 148.7 | -174.1 | -70.1 | -38.2 | 0 | 0 | 0 | 113.6 | Q73 | D71-Q73 PolarHBondContact O-N 2.92Å; D71-Q73 VanDerWaalsContact O-N 3.11Å |
| 72 | D | 49.8 | Very low | 70 | Confident | 145 Ų | 145 | 72.9 Ų | 72.9 | 78% | 0.775 | 40% | 0.404 | S | S | * | . | trans | -76.8 | 23.1 | -179.1 | -112.7 | 4.4 | 0 | 0 | 0 | 113.8 | D74 R140 | D72-D74 PolarHBondContact O-N 3.28Å; D72-R140 IonicContact OD1-NH2 3.64Å; D72-R140 PolarHBondContact OD1-NH2 3.15Å | ||
| 73 | Q | 54.1 | Low | 70.4 | Confident | 141 Ų | 141 | 72.4 Ų | 72.4 | 66% | 0.659 | 40% | 0.402 | S | S | * | . | trans | -82.3 | 107.4 | 174 | -69.3 | -170.7 | 7 | 0 | 0 | 110 | D71 S75 | D71-Q73 PolarHBondContact O-N 2.92Å; D71-Q73 VanDerWaalsContact O-N 3.11Å; Q73-S75 PolarHBondContact O-N 3.42Å | ||
| 74 | D | 60.1 | Low | 71 | Confident | 137 Ų | 137 | 68 Ų | 68 | 73% | 0.733 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -53.5 | -21.8 | 178.5 | -76 | -36.7 | 0 | 0 | 0 | 114.3 | D72 A78 | D72-D74 PolarHBondContact O-N 3.28Å; D74-A78 PolarHBondContact O-N 3.05Å; D74-A78 VanDerWaalsContact O-N 3.09Å |
| 75 | S | 63 | Low | 71.3 | Confident | 65 Ų | 65 | 67.6 Ų | 67.6 | 46% | 0.455 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.8 | -50.4 | -176.9 | 51 | 0 | 0 | 0 | 0 | 113.6 | Q73 W77 A78 E79 | Q73-S75 PolarHBondContact O-N 3.42Å; S75-W77 PolarHBondContact O-N 3.32Å; S75-A78 PolarHBondContact O-N 2.7Å; S75-E79 WeakPolarHBondContact O-CG 3.46Å; S75-E79 PolarHBondContact O-N 3.24Å |
| 76 | G | 69.4 | Low | 71.8 | Confident | 24 Ų | 24 | 69.5 Ų | 69.5 | 25% | 0.247 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.2 | -27.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113 | L80 | G76-L80 WeakPolarHBondContact O-CB 3.43Å; G76-L80 PolarHBondContact O-N 3.42Å |
| 77 | W | 73.4 | Confident | 72.3 | Confident | 69 Ų | 69 | 69.4 Ų | 69.4 | 26% | 0.261 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -74.2 | -42.4 | 174.3 | -177.8 | 85.4 | 0 | 0 | 0 | 112.1 | S75 E79 L80 Q81 R143 | S75-W77 PolarHBondContact O-N 3.32Å; W77-E79 VanDerWaalsContact C-N 3.31Å; W77-E79 PolarHBondContact O-N 3.39Å; W77-L80 PolarHBondContact O-N 3.32Å; W77-Q81 WeakPolarHBondContact O-CB 3.49Å; W77-Q81 PolarHBondContact O-N 3.2Å; W77-R143 HydrophobicContact CZ2-CB 4.03Å |
| 78 | A | 78.1 | Confident | 73.1 | Confident | 48 Ų | 48 | 67.1 Ų | 67.1 | 40% | 0.397 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.9 | -39.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | D74 S75 Q81 A82 | D74-A78 PolarHBondContact O-N 3.05Å; D74-A78 VanDerWaalsContact O-N 3.09Å; S75-A78 PolarHBondContact O-N 2.7Å; A78-Q81 PolarHBondContact O-N 3.29Å; A78-A82 WeakPolarHBondContact O-CB 3.47Å; A78-A82 PolarHBondContact O-N 3.36Å |
| 79 | E | 83 | Confident | 74.3 | Confident | 126 Ų | 126 | 65.6 Ų | 65.6 | 59% | 0.589 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.5 | -44.3 | 174.1 | -73.3 | 175.2 | -168 | 0 | 0 | 112.2 | S75 W77 A82 A83 | S75-E79 WeakPolarHBondContact O-CG 3.46Å; S75-E79 PolarHBondContact O-N 3.24Å; W77-E79 VanDerWaalsContact C-N 3.31Å; W77-E79 PolarHBondContact O-N 3.39Å; E79-A82 PolarHBondContact O-N 3.02Å; E79-A83 WeakPolarHBondContact O-CB 3.47Å; E79-A83 PolarHBondContact O-N 2.78Å |
| 80 | L | 82.4 | Confident | 75.5 | Confident | 10 Ų | 10 | 63.5 Ų | 63.5 | 5% | 0.052 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.7 | -44 | 176.5 | -173.9 | 67 | 0 | 0 | 0 | 111.8 | I29 T30 L69 G76 W77 A83 Y84 | I29-L80 HydrophobicContact CG2-CD1 3.66Å; T30-L80 HydrophobicContact CG2-CB 4.37Å; T30-L80 HydrophobicContact CG2-CD1 3.88Å; L69-L80 HydrophobicContact CD1-CD2 4.14Å; G76-L80 WeakPolarHBondContact O-CB 3.43Å; G76-L80 PolarHBondContact O-N 3.42Å; W77-L80 PolarHBondContact O-N 3.32Å; L80-A83 PolarHBondContact O-N 2.91Å; L80-Y84 HydrophobicContact CD1-CD2 3.96Å; L80-Y84 HydrophobicContact CD1-CE2 3.72Å; L80-Y84 HydrophobicContact CG-CD2 4.03Å; L80-Y84 HydrophobicContact CG-CE2 4.09Å; L80-Y84 WeakPolarHBondContact O-CD2 3.33Å; L80-Y84 PolarHBondContact O-N 3.41Å |
| 81 | Q | 84.2 | Confident | 77.1 | Confident | 57 Ų | 57 | 55.6 Ų | 55.6 | 27% | 0.266 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 175.9 | -177.6 | -168.7 | -12 | 0 | 0 | 111.5 | W77 A78 Y84 S85 L144 A147 | W77-Q81 WeakPolarHBondContact O-CB 3.49Å; W77-Q81 PolarHBondContact O-N 3.2Å; A78-Q81 PolarHBondContact O-N 3.29Å; Q81-Y84 PolarHBondContact O-N 3.09Å; Q81-S85 WeakPolarHBondContact O-CB 3.49Å; Q81-S85 PolarHBondContact O-N 3.34Å; Q81-S85 PolarHBondContact O-OG 3.16Å; Q81-L144 HydrophobicContact CB-CD1 3.94Å; Q81-L144 HydrophobicContact CG-CD1 4.11Å; Q81-A147 HydrophobicContact CG-CB 3.76Å |
| 82 | A | 85.8 | Confident | 78.9 | Confident | 53 Ų | 53 | 51.4 Ų | 51.4 | 44% | 0.438 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | A78 E79 Y84 S85 S86 | A78-A82 WeakPolarHBondContact O-CB 3.47Å; A78-A82 PolarHBondContact O-N 3.36Å; E79-A82 PolarHBondContact O-N 3.02Å; A82-Y84 PolarHBondContact O-N 3.29Å; A82-S85 PolarHBondContact O-N 3.01Å; A82-S86 WeakPolarHBondContact O-CB 3.46Å; A82-S86 PolarHBondContact O-N 3.18Å; A82-S86 PolarHBondContact O-OG 3.49Å; A82-S86 VanDerWaalsContact O-OG 3.07Å |
| 83 | A | 86.1 | Confident | 80.6 | Confident | 16 Ų | 16 | 46.5 Ų | 46.5 | 13% | 0.132 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.1 | -46.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | L33 E79 L80 S86 V87 | L33-A83 HydrophobicContact CB-CB 3.96Å; L33-A83 HydrophobicContact CD1-CB 3.91Å; E79-A83 WeakPolarHBondContact O-CB 3.47Å; E79-A83 PolarHBondContact O-N 2.78Å; L80-A83 PolarHBondContact O-N 2.91Å; A83-S86 PolarHBondContact O-N 3.49Å; A83-V87 WeakPolarHBondContact O-CG2 3.1Å; A83-V87 PolarHBondContact O-N 3.47Å |
| 84 | Y | 86.8 | Confident | 82 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 0% | 0.004 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.5 | -44.3 | 175.6 | -89.8 | -70.7 | 0 | 0 | 0 | 112.6 | L33 L65 F66 L80 Q81 A82 S86 V87 I88 L129 L144 | L33-Y84 HydrophobicContact CD1-CD1 4.08Å; L33-Y84 HydrophobicContact CD1-CD2 3.77Å; L33-Y84 HydrophobicContact CD1-CE1 4.04Å; L33-Y84 HydrophobicContact CD1-CE2 3.74Å; L33-Y84 HydrophobicContact CD1-CG 3.94Å; L33-Y84 HydrophobicContact CD2-CD1 4.36Å; L33-Y84 HydrophobicContact CD2-CE1 4.18Å; L65-Y84 PolarHBondContact O-OH 3.44Å; F66-Y84 HydrophobicContact CD1-CE2 4.27Å; F66-Y84 HydrophobicContact CE1-CE1 4.07Å; F66-Y84 HydrophobicContact CE1-CE2 4.14Å; F66-Y84 AromaticContact CE1-CZ 3.61Å; F66-Y84 WeakPolarHBondContact CE1-OH 3.39Å; L80-Y84 HydrophobicContact CD1-CD2 3.96Å; L80-Y84 HydrophobicContact CD1-CE2 3.72Å; L80-Y84 HydrophobicContact CG-CD2 4.03Å; L80-Y84 HydrophobicContact CG-CE2 4.09Å; L80-Y84 WeakPolarHBondContact O-CD2 3.33Å; L80-Y84 PolarHBondContact O-N 3.41Å; Q81-Y84 PolarHBondContact O-N 3.09Å; A82-Y84 PolarHBondContact O-N 3.29Å; Y84-S86 VanDerWaalsContact C-N 3.29Å; Y84-S86 PolarHBondContact O-N 3.32Å; Y84-V87 PolarHBondContact O-N 3.06Å; Y84-I88 WeakPolarHBondContact O-CB 3.33Å; Y84-I88 WeakPolarHBondContact O-CD1 3.33Å; Y84-I88 VanDerWaalsContact O-CG1 3.27Å; Y84-I88 WeakPolarHBondContact O-CG1 3.43Å; Y84-I88 PolarHBondContact O-N 2.97Å; Y84-L129 HydrophobicContact CE1-CD1 4.24Å; Y84-L144 HydrophobicContact CD2-CD1 4.35Å; Y84-L144 HydrophobicContact CD2-CD2 3.83Å; Y84-L144 HydrophobicContact CE2-CD2 4.04Å |
| 85 | S | 86.9 | Confident | 83.1 | Confident | 32 Ų | 32 | 34 Ų | 34 | 22% | 0.224 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.4 | -41.9 | 178 | -57.1 | 0 | 0 | 0 | 0 | 111 | Q81 A82 S89 | Q81-S85 WeakPolarHBondContact O-CB 3.49Å; Q81-S85 PolarHBondContact O-N 3.34Å; Q81-S85 PolarHBondContact O-OG 3.16Å; A82-S85 PolarHBondContact O-N 3.01Å; S85-S89 VanDerWaalsContact O-CB 3.29Å; S85-S89 WeakPolarHBondContact O-CB 3.45Å; S85-S89 PolarHBondContact O-N 3.14Å; S85-S89 PolarHBondContact O-OG 2.88Å |
| 86 | S | 87.3 | Confident | 84 | Confident | 40 Ų | 40 | 33.8 Ų | 33.8 | 28% | 0.28 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65 | -44.7 | 177.5 | -69.1 | 0 | 0 | 0 | 0 | 113.2 | A82 A83 Y84 S89 A90 | A82-S86 WeakPolarHBondContact O-CB 3.46Å; A82-S86 PolarHBondContact O-N 3.18Å; A82-S86 PolarHBondContact O-OG 3.49Å; A82-S86 VanDerWaalsContact O-OG 3.07Å; A83-S86 PolarHBondContact O-N 3.49Å; Y84-S86 VanDerWaalsContact C-N 3.29Å; Y84-S86 PolarHBondContact O-N 3.32Å; S86-S89 PolarHBondContact O-N 3.23Å; S86-A90 WeakPolarHBondContact O-CB 3.47Å; S86-A90 PolarHBondContact O-N 2.99Å |
| 87 | V | 87.6 | Confident | 84.7 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.2 | -42.8 | 177.3 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | L33 L36 Q37 L40 A83 Y84 S89 A90 L91 | L33-V87 HydrophobicContact CB-CG2 3.75Å; L33-V87 HydrophobicContact CD2-CB 4.23Å; L33-V87 HydrophobicContact CD2-CG1 4.3Å; L33-V87 HydrophobicContact CD2-CG2 3.8Å; L33-V87 HydrophobicContact CG-CG2 4.36Å; L33-V87 WeakPolarHBondContact O-CG2 3.45Å; L36-V87 HydrophobicContact CB-CG2 4.45Å; Q37-V87 HydrophobicContact CB-CG2 4.14Å; L40-V87 HydrophobicContact CD1-CG1 4.36Å; A83-V87 WeakPolarHBondContact O-CG2 3.1Å; A83-V87 PolarHBondContact O-N 3.47Å; Y84-V87 PolarHBondContact O-N 3.06Å; V87-S89 VanDerWaalsContact C-N 3.31Å; V87-S89 PolarHBondContact O-N 3.4Å; V87-A90 PolarHBondContact O-N 3.43Å; V87-L91 HydrophobicContact CG1-CD1 4.13Å; V87-L91 HydrophobicContact CG1-CG 4.42Å; V87-L91 WeakPolarHBondContact O-CG 3.42Å; V87-L91 PolarHBondContact O-N 3.49Å |
| 88 | I | 89 | Confident | 84.8 | Confident | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.9 | -41.4 | 177.9 | -71 | 166.4 | 0 | 0 | 0 | 110.4 | Y84 A90 L91 I92 L126 L129 V148 P151 I152 | Y84-I88 WeakPolarHBondContact O-CB 3.33Å; Y84-I88 WeakPolarHBondContact O-CD1 3.33Å; Y84-I88 VanDerWaalsContact O-CG1 3.27Å; Y84-I88 WeakPolarHBondContact O-CG1 3.43Å; Y84-I88 PolarHBondContact O-N 2.97Å; I88-A90 VanDerWaalsContact C-N 3.33Å; I88-A90 PolarHBondContact O-N 3.38Å; I88-L91 PolarHBondContact O-N 3.18Å; I88-I92 HydrophobicContact CG2-CD1 3.75Å; I88-I92 HydrophobicContact CG2-CG1 4.49Å; I88-I92 WeakPolarHBondContact O-CB 3.2Å; I88-I92 VanDerWaalsContact O-CG1 3.26Å; I88-I92 WeakPolarHBondContact O-CG1 3.23Å; I88-I92 PolarHBondContact O-N 2.88Å; I88-L126 HydrophobicContact CG1-CD2 4.15Å; I88-L126 HydrophobicContact CG2-CD2 4.43Å; I88-L129 HydrophobicContact CD1-CD2 4.39Å; I88-L129 HydrophobicContact CG1-CD2 4.49Å; I88-V148 HydrophobicContact CD1-CB 3.52Å; I88-V148 HydrophobicContact CD1-CG1 3.75Å; I88-V148 HydrophobicContact CD1-CG2 3.97Å; I88-P151 HydrophobicContact CG2-CG 4.24Å; I88-I152 HydrophobicContact CD1-CD1 4.18Å; I88-I152 HydrophobicContact CG2-CD1 4.39Å; I88-I152 HydrophobicContact CG2-CG1 3.8Å |
| 89 | S | 87.8 | Confident | 84.4 | Confident | 67 Ų | 67 | 36.1 Ų | 36.1 | 47% | 0.469 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.9 | -39.2 | 175.3 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | S85 S86 V87 G93 | S85-S89 VanDerWaalsContact O-CB 3.29Å; S85-S89 WeakPolarHBondContact O-CB 3.45Å; S85-S89 PolarHBondContact O-N 3.14Å; S85-S89 PolarHBondContact O-OG 2.88Å; S86-S89 PolarHBondContact O-N 3.23Å; V87-S89 VanDerWaalsContact C-N 3.31Å; V87-S89 PolarHBondContact O-N 3.4Å; S89-G93 PolarHBondContact O-N 2.89Å |
| 90 | A | 86.4 | Confident | 83.6 | Confident | 11 Ų | 11 | 30.5 Ų | 30.5 | 9% | 0.091 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.4 | -44 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q37 L40 T41 S86 V87 I88 G93 C94 | Q37-A90 HydrophobicContact CG-CB 4.24Å; L40-A90 HydrophobicContact CB-CB 3.83Å; L40-A90 HydrophobicContact CD1-CB 4.16Å; T41-A90 HydrophobicContact CG2-CB 4.2Å; S86-A90 WeakPolarHBondContact O-CB 3.47Å; S86-A90 PolarHBondContact O-N 2.99Å; V87-A90 PolarHBondContact O-N 3.43Å; I88-A90 VanDerWaalsContact C-N 3.33Å; I88-A90 PolarHBondContact O-N 3.38Å; A90-G93 WeakPolarHBondContact O-CA 3.36Å; A90-G93 PolarHBondContact O-N 3.41Å; A90-C94 PolarHBondContact O-N 3.01Å; A90-C94 PolarHBondContact O-SG 3.26Å |
| 91 | L | 86.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.2 | -47.3 | 174.8 | -76.4 | 172.1 | 0 | 0 | 0 | 111.7 | L40 I50 V53 F57 V87 I88 G93 C94 V122 L126 | L40-L91 HydrophobicContact CD1-CD2 3.68Å; L40-L91 HydrophobicContact CD1-CG 3.77Å; L40-L91 HydrophobicContact CD2-CD2 3.89Å; L40-L91 HydrophobicContact CG-CD2 4.46Å; I50-L91 HydrophobicContact CG1-CD2 4.36Å; V53-L91 HydrophobicContact CG1-CD1 4.48Å; V53-L91 HydrophobicContact CG1-CD2 4.33Å; F57-L91 HydrophobicContact CE2-CD1 4.42Å; V87-L91 HydrophobicContact CG1-CD1 4.13Å; V87-L91 HydrophobicContact CG1-CG 4.42Å; V87-L91 WeakPolarHBondContact O-CG 3.42Å; V87-L91 PolarHBondContact O-N 3.49Å; I88-L91 PolarHBondContact O-N 3.18Å; L91-G93 VanDerWaalsContact C-N 3.28Å; L91-G93 PolarHBondContact O-N 2.97Å; L91-C94 WeakPolarHBondContact O-CB 3.45Å; L91-C94 PolarHBondContact O-N 3.47Å; L91-V122 HydrophobicContact CB-CG1 4.27Å; L91-V122 VanDerWaalsContact O-CG2 3.23Å; L91-V122 WeakPolarHBondContact O-CG2 3.48Å; L91-L126 HydrophobicContact CD1-CD2 4.01Å |
| 92 | I | 88.8 | Confident | 81.1 | Confident | 32 Ų | 32 | 42.6 Ų | 42.6 | 16% | 0.164 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.9 | -40 | 175.4 | -69.5 | 167.9 | 0 | 0 | 0 | 110.2 | I88 C94 A95 A96 L126 P151 F155 | I88-I92 HydrophobicContact CG2-CD1 3.75Å; I88-I92 HydrophobicContact CG2-CG1 4.49Å; I88-I92 WeakPolarHBondContact O-CB 3.2Å; I88-I92 VanDerWaalsContact O-CG1 3.26Å; I88-I92 WeakPolarHBondContact O-CG1 3.23Å; I88-I92 PolarHBondContact O-N 2.88Å; I92-C94 VanDerWaalsContact C-N 3.26Å; I92-C94 PolarHBondContact O-N 3.31Å; I92-A95 CarbonylContact O-C 3.5Å; I92-A95 PolarHBondContact O-N 3.45Å; I92-A96 PolarHBondContact O-N 2.98Å; I92-A96 VanDerWaalsContact O-N 3.15Å; I92-L126 HydrophobicContact CG1-CD1 4.36Å; I92-P151 HydrophobicContact CD1-CB 3.86Å; I92-P151 WeakPolarHBondContact CD1-O 3.42Å; I92-F155 HydrophobicContact CB-CD2 4.42Å; I92-F155 HydrophobicContact CD1-CB 3.96Å; I92-F155 HydrophobicContact CD1-CG 4.48Å; I92-F155 HydrophobicContact CG1-CB 3.97Å; I92-F155 HydrophobicContact CG1-CD1 4.42Å; I92-F155 HydrophobicContact CG1-CD2 4.25Å; I92-F155 HydrophobicContact CG1-CG 3.95Å; I92-F155 HydrophobicContact CG2-CB 4.17Å; I92-F155 HydrophobicContact CG2-CD2 3.8Å; I92-F155 HydrophobicContact CG2-CG 4.21Å |
| 93 | G | 84.9 | Confident | 79.5 | Confident | 43 Ų | 43 | 46.2 Ų | 46.2 | 44% | 0.443 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.5 | -32.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | S89 A90 L91 A95 A96 | S89-G93 PolarHBondContact O-N 2.89Å; A90-G93 WeakPolarHBondContact O-CA 3.36Å; A90-G93 PolarHBondContact O-N 3.41Å; L91-G93 VanDerWaalsContact C-N 3.28Å; L91-G93 PolarHBondContact O-N 2.97Å; G93-A95 PolarHBondContact O-N 2.64Å; G93-A96 VanDerWaalsContact O-CB 3.27Å; G93-A96 WeakPolarHBondContact O-CB 3.47Å; G93-A96 PolarHBondContact O-N 2.98Å; G93-A96 VanDerWaalsContact O-N 3.11Å |
| 94 | C | 83.6 | Confident | 77.7 | Confident | 11 Ų | 11 | 50.3 Ų | 50.3 | 7% | 0.074 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.6 | -24.1 | 174.7 | -60.5 | 0 | 0 | 0 | 0 | 113.2 | I50 A90 L91 I92 R118 V122 | I50-C94 HydrophobicContact CD1-CB 3.96Å; A90-C94 PolarHBondContact O-N 3.01Å; A90-C94 PolarHBondContact O-SG 3.26Å; L91-C94 WeakPolarHBondContact O-CB 3.45Å; L91-C94 PolarHBondContact O-N 3.47Å; I92-C94 VanDerWaalsContact C-N 3.26Å; I92-C94 PolarHBondContact O-N 3.31Å; C94-R118 VanDerWaalsContact O-CD 3.29Å; C94-R118 WeakPolarHBondContact O-CD 3.45Å; C94-V122 HydrophobicContact CB-CG2 4.45Å |
| 95 | A | 83.6 | Confident | 76.3 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 3% | 0.025 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 18 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I92 G93 R118 A119 V122 F155 | I92-A95 CarbonylContact O-C 3.5Å; I92-A95 PolarHBondContact O-N 3.45Å; G93-A95 PolarHBondContact O-N 2.64Å; A95-R118 HydrophobicContact CB-CB 4.19Å; A95-A119 HydrophobicContact CB-CB 4.23Å; A95-V122 HydrophobicContact CB-CG2 4.08Å; A95-F155 HydrophobicContact CB-CE2 3.75Å; A95-F155 HydrophobicContact CB-CZ 4.02Å |
| 96 | A | 83.1 | Confident | 74.9 | Confident | 62 Ų | 62 | 53.1 Ų | 53.1 | 51% | 0.512 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 143.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I92 G93 | I92-A96 PolarHBondContact O-N 2.98Å; I92-A96 VanDerWaalsContact O-N 3.15Å; G93-A96 VanDerWaalsContact O-CB 3.27Å; G93-A96 WeakPolarHBondContact O-CB 3.47Å; G93-A96 PolarHBondContact O-N 2.98Å; G93-A96 VanDerWaalsContact O-N 3.11Å |
| 97 | L | 82.9 | Confident | 73.9 | Confident | 37 Ų | 37 | 53.5 Ų | 53.5 | 19% | 0.194 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 139.8 | 177.6 | -67.5 | 166 | 0 | 0 | 0 | 110.3 | V99 Y112 V115 W165 A225 | L97-V99 PolarHBondContact O-N 3.38Å; L97-Y112 HydrophobicContact CD2-CD1 3.85Å; L97-Y112 HydrophobicContact CD2-CE1 3.89Å; L97-V115 HydrophobicContact CD2-CG1 3.83Å; L97-V115 HydrophobicContact CD2-CG2 4.5Å; L97-W165 HydrophobicContact CD1-CD2 4.15Å; L97-W165 HydrophobicContact CD1-CG 4.3Å; L97-W165 HydrophobicContact CD1-CZ2 4.41Å; L97-W165 HydrophobicContact CD2-CB 3.47Å; L97-W165 VanDerWaalsContact CD2-CB 3.47Å; L97-W165 HydrophobicContact CD2-CD2 3.87Å; L97-W165 HydrophobicContact CD2-CG 3.32Å; L97-W165 HydrophobicContact CG-CG 4.45Å; L97-A225 HydrophobicContact CD1-CB 3.3Å |
| 98 | P | 76.3 | Confident | 73.2 | Confident | 49 Ų | 49 | 59.4 Ų | 59.4 | 32% | 0.318 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 136.9 | 173.5 | 24.8 | -32.8 | 0 | 0 | 0 | 110.3 | L107 A111 Y112 | P98-L107 HydrophobicContact CB-CD1 3.59Å; P98-L107 HydrophobicContact CG-CD1 3.55Å; P98-L107 WeakPolarHBondContact O-CD1 3.46Å; P98-A111 HydrophobicContact CG-CB 4.33Å; P98-Y112 HydrophobicContact CG-CD1 3.9Å; P98-Y112 HydrophobicContact CG-CE1 3.66Å |
| 99 | V | 69.9 | Low | 72.4 | Confident | 104 Ų | 104 | 62.2 Ų | 62.2 | 63% | 0.63 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -80.7 | 129.6 | 177.6 | -176.1 | 0 | 0 | 0 | 0 | 108.4 | L97 E101 R222 | L97-V99 PolarHBondContact O-N 3.38Å; V99-E101 PolarHBondContact O-N 3.45Å; V99-R222 HydrophobicContact CG1-CB 4.11Å |
| 100 | C | 65.2 | Low | 71.8 | Confident | 7 Ų | 7 | 62.4 Ų | 62.4 | 5% | 0.047 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 116.3 | 173.5 | -168.8 | 0 | 0 | 0 | 0 | 109.4 | E102 L107 R222 | C100-E102 PolarHBondContact SG-O 2.93Å; C100-E102 VanDerWaalsContact SG-O 3.37Å; C100-L107 HydrophobicContact CB-CD2 4.43Å; C100-L107 HydrophobicContact CB-CG 4.18Å; C100-R222 HydrophobicContact CB-CB 4.49Å; C100-R222 VanDerWaalsContact O-CD 3.25Å; C100-R222 WeakPolarHBondContact O-CD 3.45Å; C100-R222 WeakPolarHBondContact O-CG 3.35Å |
| 101 | E | 59.3 | Low | 71.4 | Confident | 176 Ų | 176 | 64 Ų | 64 | 82% | 0.822 | 40% | 0.395 | S | S | * | . | trans | -78.8 | -26.2 | 177.1 | -64.7 | -158.2 | 162.6 | 0 | 0 | 112.5 | V99 | V99-E101 PolarHBondContact O-N 3.45Š| ||
| 102 | E | 55.8 | Low | 71.2 | Confident | 146 Ų | 146 | 65 Ų | 65 | 68% | 0.682 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -83.7 | 146.2 | 179.2 | -62.8 | -171.7 | 175.5 | 0 | 0 | 112.6 | C100 C104 | C100-E102 PolarHBondContact SG-O 2.93Å; C100-E102 VanDerWaalsContact SG-O 3.37Å; E102-C104 PolarHBondContact O-N 3.26Å |
| 103 | D | 52.2 | Low | 70.9 | Confident | 129 Ų | 129 | 70.4 Ų | 70.4 | 69% | 0.69 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -65.3 | -16 | 178.6 | -75.4 | -33.1 | 0 | 0 | 0 | 113.5 | G105 | D103-G105 PolarHBondContact O-N 3.4Š|
| 104 | C | 47.4 | Very low | 70.8 | Confident | 102 Ų | 102 | 70.8 Ų | 70.8 | 69% | 0.689 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -94.4 | 86.6 | 178.9 | -64.7 | 0 | 0 | 0 | 0 | 109.4 | E102 S106 | E102-C104 PolarHBondContact O-N 3.26Å; C104-S106 PolarHBondContact O-N 2.9Å |
| 105 | G | 57 | Low | 70.9 | Confident | 19 Ų | 19 | 70.6 Ų | 70.6 | 20% | 0.196 | 42% | 0.418 | C | S | . | . | trans | -57.1 | 105.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D103 Y261 R262 | D103-G105 PolarHBondContact O-N 3.4Å; G105-Y261 PolarHBondContact O-OH 3.36Å; G105-R262 PolarHBondContact O-NH2 3.01Å | ||
| 106 | S | 57.6 | Low | 71.1 | Confident | 73 Ų | 73 | 71.2 Ų | 71.2 | 51% | 0.51 | 42% | 0.422 | S | S | . | . | 173.9 | 133.2 | 124.4 | 45.9 | 0 | 0 | 0 | 0 | 107.6 | C104 R262 | C104-S106 PolarHBondContact O-N 2.9Å; S106-R262 PolarHBondContact OG-NH2 3.1Å | |||
| 107 | L | 66.8 | Low | 71.3 | Confident | 47 Ų | 47 | 75.6 Ų | 75.6 | 25% | 0.246 | 43% | 0.432 | C | S | . | . | trans | -73 | 152.4 | 173.5 | -64.7 | 167.4 | 0 | 0 | 0 | 110.3 | P98 C100 A111 Y112 | P98-L107 HydrophobicContact CB-CD1 3.59Å; P98-L107 HydrophobicContact CG-CD1 3.55Å; P98-L107 WeakPolarHBondContact O-CD1 3.46Å; C100-L107 HydrophobicContact CB-CD2 4.43Å; C100-L107 HydrophobicContact CB-CG 4.18Å; L107-A111 HydrophobicContact CB-CB 3.9Å; L107-A111 HydrophobicContact CD1-CB 4.37Å; L107-Y112 HydrophobicContact CB-CE2 3.86Å | ||
| 108 | D | 72.1 | Confident | 71.5 | Confident | 127 Ų | 127 | 77.5 Ų | 77.5 | 68% | 0.679 | 44% | 0.436 | S | S | * | . | trans | -58.4 | 149.4 | 172.7 | -81.1 | -23.7 | 0 | 0 | 0 | 111.1 | S110 A111 | D108-S110 WeakPolarHBondContact CB-OG 3.27Å; D108-S110 PolarHBondContact O-N 3.49Å; D108-A111 VanDerWaalsContact O-CB 3.31Å; D108-A111 WeakPolarHBondContact O-CB 3.29Å; D108-A111 PolarHBondContact O-N 2.92Å | ||
| 109 | A | 72.4 | Confident | 72.1 | Confident | 62 Ų | 62 | 75.2 Ų | 75.2 | 51% | 0.512 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -55.7 | -24.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A111 Y112 V164 | A109-A111 VanDerWaalsContact C-N 3.31Å; A109-A111 PolarHBondContact O-N 3.33Å; A109-Y112 PolarHBondContact O-N 3.33Å; A109-V164 HydrophobicContact CB-CG1 3.74Å |
| 110 | S | 76.4 | Confident | 73 | Confident | 70 Ų | 70 | 71.4 Ų | 71.4 | 49% | 0.49 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -61.8 | -34.8 | 174 | 56.3 | 0 | 0 | 0 | 0 | 113.1 | D108 Y112 Q113 | D108-S110 WeakPolarHBondContact CB-OG 3.27Å; D108-S110 PolarHBondContact O-N 3.49Å; S110-Y112 PolarHBondContact O-N 3.1Å; S110-Q113 WeakPolarHBondContact O-CG 2.99Å; S110-Q113 PolarHBondContact O-N 3.45Å |
| 111 | A | 78.3 | Confident | 74.2 | Confident | 44 Ų | 44 | 72.2 Ų | 72.2 | 36% | 0.364 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -65.1 | -22.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P98 L107 D108 A109 | P98-A111 HydrophobicContact CG-CB 4.33Å; L107-A111 HydrophobicContact CB-CB 3.9Å; L107-A111 HydrophobicContact CD1-CB 4.37Å; D108-A111 VanDerWaalsContact O-CB 3.31Å; D108-A111 WeakPolarHBondContact O-CB 3.29Å; D108-A111 PolarHBondContact O-N 2.92Å; A109-A111 VanDerWaalsContact C-N 3.31Å; A109-A111 PolarHBondContact O-N 3.33Å |
| 112 | Y | 81.8 | Confident | 75.6 | Confident | 21 Ų | 21 | 63.9 Ų | 63.9 | 8% | 0.082 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -100.3 | -1.5 | -177.3 | -57.6 | -71.6 | 0 | 0 | 0 | 114.3 | L97 P98 L107 A109 S110 S114 V115 P116 V164 W165 | L97-Y112 HydrophobicContact CD2-CD1 3.85Å; L97-Y112 HydrophobicContact CD2-CE1 3.89Å; P98-Y112 HydrophobicContact CG-CD1 3.9Å; P98-Y112 HydrophobicContact CG-CE1 3.66Å; L107-Y112 HydrophobicContact CB-CE2 3.86Å; A109-Y112 PolarHBondContact O-N 3.33Å; S110-Y112 PolarHBondContact O-N 3.1Å; Y112-S114 VanDerWaalsContact C-N 3.27Å; Y112-S114 PolarHBondContact O-N 3.17Å; Y112-S114 VanDerWaalsContact O-N 3.09Å; Y112-V115 HydrophobicContact CD1-CG2 4.46Å; Y112-V115 WeakPolarHBondContact O-CB 3.43Å; Y112-V115 PolarHBondContact O-N 3.37Å; Y112-P116 WeakPolarHBondContact O-CD 3.35Å; Y112-V164 HydrophobicContact CD2-CB 4.35Å; Y112-V164 HydrophobicContact CD2-CG1 3.82Å; Y112-V164 HydrophobicContact CE2-CG1 4.28Å; Y112-W165 HydrophobicContact CD1-CB 3.54Å; Y112-W165 HydrophobicContact CE1-CB 4.23Å; Y112-W165 HydrophobicContact CE1-CE3 4.46Å; Y112-W165 HydrophobicContact CG-CB 3.77Å |
| 113 | Q | 82.4 | Confident | 77.3 | Confident | 146 Ų | 146 | 56.9 Ų | 56.9 | 68% | 0.682 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -36.6 | -169.3 | -77 | 175.8 | 3.1 | 0 | 0 | 114.6 | S110 | S110-Q113 WeakPolarHBondContact O-CG 2.99Å; S110-Q113 PolarHBondContact O-N 3.45Å |
| 114 | S | 83.3 | Confident | 79.2 | Confident | 51 Ų | 51 | 52.9 Ų | 52.9 | 36% | 0.357 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -12 | -179.8 | 63.8 | 0 | 0 | 0 | 0 | 114.2 | Y112 R118 | Y112-S114 VanDerWaalsContact C-N 3.27Å; Y112-S114 PolarHBondContact O-N 3.17Å; Y112-S114 VanDerWaalsContact O-N 3.09Å; S114-R118 VanDerWaalsContact O-CG 3.32Å; S114-R118 WeakPolarHBondContact O-CG 3.21Å; S114-R118 PolarHBondContact O-N 3.48Å |
| 115 | V | 85.8 | Confident | 81.2 | Confident | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.4 | -46.2 | -174.6 | 177.8 | 0 | 0 | 0 | 0 | 112.4 | L97 Y112 E117 R118 A119 W165 | L97-V115 HydrophobicContact CD2-CG1 3.83Å; L97-V115 HydrophobicContact CD2-CG2 4.5Å; Y112-V115 HydrophobicContact CD1-CG2 4.46Å; Y112-V115 WeakPolarHBondContact O-CB 3.43Å; Y112-V115 PolarHBondContact O-N 3.37Å; V115-E117 VanDerWaalsContact C-N 3.34Å; V115-E117 PolarHBondContact O-N 3.18Å; V115-R118 PolarHBondContact O-N 2.73Å; V115-A119 WeakPolarHBondContact O-CB 3.47Å; V115-A119 PolarHBondContact O-N 2.85Å; V115-W165 HydrophobicContact CG1-CB 4.34Å |
| 116 | P | 86.8 | Confident | 82.8 | Confident | 17 Ų | 17 | 47.1 Ų | 47.1 | 11% | 0.11 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.9 | -39.6 | -178.7 | -22.6 | 28.8 | 0 | 0 | 0 | 114 | Y112 A120 W165 S170 | Y112-P116 WeakPolarHBondContact O-CD 3.35Å; P116-A120 WeakPolarHBondContact O-CB 3.35Å; P116-A120 PolarHBondContact O-N 2.89Å; P116-W165 WeakPolarHBondContact CG-O 3.42Å; P116-S170 WeakPolarHBondContact O-CB 3.46Å |
| 117 | E | 87.8 | Confident | 84.5 | Confident | 154 Ų | 154 | 45.4 Ų | 45.4 | 72% | 0.72 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -68.4 | -46.7 | 179.7 | -66.4 | -176.5 | 172.8 | 0 | 0 | 111.2 | V115 A119 A120 A121 | V115-E117 VanDerWaalsContact C-N 3.34Å; V115-E117 PolarHBondContact O-N 3.18Å; E117-A119 VanDerWaalsContact C-N 3.33Å; E117-A119 PolarHBondContact O-N 2.91Å; E117-A120 PolarHBondContact O-N 3.5Å; E117-A121 PolarHBondContact O-N 3.04Å |
| 118 | R | 87.3 | Confident | 85.6 | Confident | 77 Ų | 77 | 44.6 Ų | 44.6 | 29% | 0.291 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 175 | -67.2 | 177.4 | -174.7 | -173.1 | -2.8 | 111.1 | C94 A95 S114 V115 A120 A121 V122 | C94-R118 VanDerWaalsContact O-CD 3.29Å; C94-R118 WeakPolarHBondContact O-CD 3.45Å; A95-R118 HydrophobicContact CB-CB 4.19Å; S114-R118 VanDerWaalsContact O-CG 3.32Å; S114-R118 WeakPolarHBondContact O-CG 3.21Å; S114-R118 PolarHBondContact O-N 3.48Å; V115-R118 PolarHBondContact O-N 2.73Å; R118-A120 VanDerWaalsContact C-N 3.32Å; R118-A120 PolarHBondContact O-N 3.25Å; R118-A121 PolarHBondContact O-N 3.49Å; R118-V122 VanDerWaalsContact O-CG2 3.31Å; R118-V122 WeakPolarHBondContact O-CG2 3.49Å; R118-V122 PolarHBondContact O-N 3.42Å |
| 119 | A | 88.6 | Confident | 86.4 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.8 | -37.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A95 V115 E117 S123 F155 H159 | A95-A119 HydrophobicContact CB-CB 4.23Å; V115-A119 WeakPolarHBondContact O-CB 3.47Å; V115-A119 PolarHBondContact O-N 2.85Å; E117-A119 VanDerWaalsContact C-N 3.33Å; E117-A119 PolarHBondContact O-N 2.91Å; A119-S123 VanDerWaalsContact O-CB 3.23Å; A119-S123 WeakPolarHBondContact O-CB 3.35Å; A119-S123 PolarHBondContact O-N 3.04Å; A119-S123 PolarHBondContact O-OG 2.94Å; A119-F155 HydrophobicContact CB-CZ 4.19Å; A119-H159 VanDerWaalsContact CB-CE1 3.44Å; A119-H159 WeakPolarHBondContact CB-CE1 3.34Å |
| 120 | A | 89.8 | Confident | 87.1 | Confident | 24 Ų | 24 | 35.8 Ų | 35.8 | 20% | 0.198 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.1 | -44.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | P116 E117 R118 S123 S124 A173 | P116-A120 WeakPolarHBondContact O-CB 3.35Å; P116-A120 PolarHBondContact O-N 2.89Å; E117-A120 PolarHBondContact O-N 3.5Å; R118-A120 VanDerWaalsContact C-N 3.32Å; R118-A120 PolarHBondContact O-N 3.25Å; A120-S123 PolarHBondContact O-N 3.4Å; A120-S124 PolarHBondContact O-N 2.9Å; A120-A173 HydrophobicContact CB-CB 4.24Å |
| 121 | A | 88.8 | Confident | 87.5 | Confident | 24 Ų | 24 | 33.5 Ų | 33.5 | 20% | 0.198 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.3 | -47.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | I50 E117 R118 S123 S124 A125 | I50-A121 HydrophobicContact CB-CB 4.31Å; I50-A121 VanDerWaalsContact CG2-C 3.46Å; I50-A121 HydrophobicContact CG2-CB 3.7Å; I50-A121 WeakPolarHBondContact CG2-O 3.48Å; E117-A121 PolarHBondContact O-N 3.04Å; R118-A121 PolarHBondContact O-N 3.49Å; A121-S123 VanDerWaalsContact C-N 3.32Å; A121-S123 PolarHBondContact O-N 3.04Å; A121-S124 WeakPolarHBondContact O-CB 3.33Å; A121-S124 PolarHBondContact O-N 3.4Å; A121-S124 VanDerWaalsContact O-N 3.14Å; A121-A125 PolarHBondContact O-N 3.44Å |
| 122 | V | 90.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.2 | -42.9 | 176.8 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | I50 L91 C94 A95 R118 S124 A125 L126 F155 | I50-V122 HydrophobicContact CD1-CG2 3.65Å; I50-V122 HydrophobicContact CG1-CG2 4.27Å; I50-V122 HydrophobicContact CG2-CG2 4.42Å; L91-V122 HydrophobicContact CB-CG1 4.27Å; L91-V122 VanDerWaalsContact O-CG2 3.23Å; L91-V122 WeakPolarHBondContact O-CG2 3.48Å; C94-V122 HydrophobicContact CB-CG2 4.45Å; A95-V122 HydrophobicContact CB-CG2 4.08Å; R118-V122 VanDerWaalsContact O-CG2 3.31Å; R118-V122 WeakPolarHBondContact O-CG2 3.49Å; R118-V122 PolarHBondContact O-N 3.42Å; V122-S124 VanDerWaalsContact C-N 3.28Å; V122-S124 PolarHBondContact O-N 2.9Å; V122-A125 PolarHBondContact O-N 3.26Å; V122-L126 HydrophobicContact CG1-CD1 3.85Å; V122-L126 HydrophobicContact CG1-CG 4.3Å; V122-L126 WeakPolarHBondContact O-CB 3.46Å; V122-L126 WeakPolarHBondContact O-CG 3.37Å; V122-L126 PolarHBondContact O-N 3.33Å; V122-F155 HydrophobicContact CB-CE1 4.16Å; V122-F155 HydrophobicContact CB-CZ 3.92Å; V122-F155 HydrophobicContact CG1-CD1 4.43Å; V122-F155 HydrophobicContact CG1-CE1 3.67Å; V122-F155 HydrophobicContact CG1-CZ 3.71Å |
| 123 | S | 91.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.5 | -37.6 | 176.3 | -63.3 | 0 | 0 | 0 | 0 | 112.2 | A119 A120 A121 T127 F155 | A119-S123 VanDerWaalsContact O-CB 3.23Å; A119-S123 WeakPolarHBondContact O-CB 3.35Å; A119-S123 PolarHBondContact O-N 3.04Å; A119-S123 PolarHBondContact O-OG 2.94Å; A120-S123 PolarHBondContact O-N 3.4Å; A121-S123 VanDerWaalsContact C-N 3.32Å; A121-S123 PolarHBondContact O-N 3.04Å; S123-T127 VanDerWaalsContact O-CB 3.28Å; S123-T127 WeakPolarHBondContact O-CB 3.47Å; S123-T127 PolarHBondContact O-N 3.35Å; S123-T127 PolarHBondContact O-OG1 3.48Å; S123-F155 WeakPolarHBondContact OG-CE1 3.1Å |
| 124 | S | 91.4 | Very high | 87.6 | Confident | 45 Ų | 45 | 29.2 Ų | 29.2 | 32% | 0.315 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -66.1 | -51 | 176.5 | -153.5 | 0 | 0 | 0 | 0 | 111.3 | E54 A120 A121 V122 L126 T127 V128 | E54-S124 WeakPolarHBondContact OE1-CB 3.28Å; E54-S124 PolarHBondContact OE1-OG 3.01Å; A120-S124 PolarHBondContact O-N 2.9Å; A121-S124 WeakPolarHBondContact O-CB 3.33Å; A121-S124 PolarHBondContact O-N 3.4Å; A121-S124 VanDerWaalsContact O-N 3.14Å; V122-S124 VanDerWaalsContact C-N 3.28Å; V122-S124 PolarHBondContact O-N 2.9Å; S124-L126 PolarHBondContact O-N 3.26Å; S124-T127 WeakPolarHBondContact O-CB 3.42Å; S124-T127 PolarHBondContact O-N 3.18Å; S124-V128 WeakPolarHBondContact O-CG2 3.46Å; S124-V128 PolarHBondContact O-N 3.24Å |
| 125 | A | 89.2 | Confident | 87.3 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.5 | -46.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | I50 E54 A121 V122 T127 V128 L129 | I50-A125 HydrophobicContact CG2-CB 4.08Å; E54-A125 HydrophobicContact CB-CB 3.98Å; A121-A125 PolarHBondContact O-N 3.44Å; V122-A125 PolarHBondContact O-N 3.26Å; A125-T127 VanDerWaalsContact C-N 3.35Å; A125-T127 PolarHBondContact O-N 3.5Å; A125-V128 PolarHBondContact O-N 3.19Å; A125-L129 PolarHBondContact O-N 3.21Å; A125-L129 VanDerWaalsContact O-N 3.08Å |
| 126 | L | 91.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.3 | -33.9 | 177 | -68 | 175.6 | 0 | 0 | 0 | 112.4 | I88 L91 I92 V122 S124 L129 L130 I152 F155 L177 | I88-L126 HydrophobicContact CG1-CD2 4.15Å; I88-L126 HydrophobicContact CG2-CD2 4.43Å; L91-L126 HydrophobicContact CD1-CD2 4.01Å; I92-L126 HydrophobicContact CG1-CD1 4.36Å; V122-L126 HydrophobicContact CG1-CD1 3.85Å; V122-L126 HydrophobicContact CG1-CG 4.3Å; V122-L126 WeakPolarHBondContact O-CB 3.46Å; V122-L126 WeakPolarHBondContact O-CG 3.37Å; V122-L126 PolarHBondContact O-N 3.33Å; S124-L126 PolarHBondContact O-N 3.26Å; L126-L129 PolarHBondContact O-N 3.21Å; L126-L130 VanDerWaalsContact O-CG 3.29Å; L126-L130 WeakPolarHBondContact O-CG 3.36Å; L126-L130 PolarHBondContact O-N 3.39Å; L126-I152 HydrophobicContact CD1-CG1 4.45Å; L126-F155 HydrophobicContact CD1-CD1 4.27Å; L126-L177 HydrophobicContact CB-CD1 3.48Å; L126-L177 VanDerWaalsContact CB-CD1 3.48Å; L126-L177 HydrophobicContact CB-CD2 4.44Å; L126-L177 HydrophobicContact CD1-CD2 4.21Å |
| 127 | T | 91.9 | Very high | 85 | Confident | 36 Ų | 36 | 36.6 Ų | 36.6 | 22% | 0.221 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.7 | -41.8 | 175.2 | -63.1 | 0 | 0 | 0 | 0 | 111.2 | S123 S124 A125 L130 G131 L177 A180 | S123-T127 VanDerWaalsContact O-CB 3.28Å; S123-T127 WeakPolarHBondContact O-CB 3.47Å; S123-T127 PolarHBondContact O-N 3.35Å; S123-T127 PolarHBondContact O-OG1 3.48Å; S124-T127 WeakPolarHBondContact O-CB 3.42Å; S124-T127 PolarHBondContact O-N 3.18Å; A125-T127 VanDerWaalsContact C-N 3.35Å; A125-T127 PolarHBondContact O-N 3.5Å; T127-L130 PolarHBondContact O-N 2.9Å; T127-G131 PolarHBondContact O-N 3.19Å; T127-L177 WeakPolarHBondContact OG1-CA 3.22Å; T127-A180 HydrophobicContact CG2-CB 3.89Å |
| 128 | V | 89.9 | Confident | 84.2 | Confident | 30 Ų | 30 | 31.6 Ų | 31.6 | 18% | 0.182 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.1 | -44 | 176.5 | 175.8 | 0 | 0 | 0 | 0 | 110.9 | E54 F57 Q58 S124 A125 L130 G131 N132 | E54-V128 HydrophobicContact CG-CG2 3.92Å; F57-V128 HydrophobicContact CB-CB 4.44Å; F57-V128 HydrophobicContact CB-CG1 3.78Å; Q58-V128 HydrophobicContact CB-CG1 3.89Å; Q58-V128 HydrophobicContact CG-CG1 4.49Å; S124-V128 WeakPolarHBondContact O-CG2 3.46Å; S124-V128 PolarHBondContact O-N 3.24Å; A125-V128 PolarHBondContact O-N 3.19Å; V128-L130 PolarHBondContact O-N 2.75Å; V128-G131 PolarHBondContact O-N 3.26Å; V128-G131 VanDerWaalsContact O-N 3.16Å; V128-N132 PolarHBondContact O-N 2.81Å |
| 129 | L | 88.8 | Confident | 83.3 | Confident | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.7 | -46.7 | 175.7 | -178.6 | 64.3 | 0 | 0 | 0 | 111.8 | F57 F66 Y84 I88 A125 L126 G131 N132 W133 | F57-L129 HydrophobicContact CD1-CD1 3.97Å; F57-L129 HydrophobicContact CD2-CB 3.93Å; F57-L129 HydrophobicContact CD2-CD1 4.41Å; F57-L129 HydrophobicContact CE1-CD1 3.98Å; F57-L129 HydrophobicContact CE2-CB 4.18Å; F57-L129 HydrophobicContact CE2-CD1 4.4Å; F57-L129 HydrophobicContact CE2-CD2 4.3Å; F57-L129 HydrophobicContact CG-CB 4.3Å; F57-L129 HydrophobicContact CG-CD1 4.2Å; F57-L129 HydrophobicContact CZ-CD1 4.2Å; F57-L129 HydrophobicContact CZ-CD2 4.35Å; F66-L129 HydrophobicContact CZ-CD1 4.1Å; Y84-L129 HydrophobicContact CE1-CD1 4.24Å; I88-L129 HydrophobicContact CD1-CD2 4.39Å; I88-L129 HydrophobicContact CG1-CD2 4.49Å; A125-L129 PolarHBondContact O-N 3.21Å; A125-L129 VanDerWaalsContact O-N 3.08Å; L126-L129 PolarHBondContact O-N 3.21Å; L129-G131 VanDerWaalsContact C-N 3.31Å; L129-G131 PolarHBondContact O-N 3.4Å; L129-N132 PolarHBondContact O-N 3.39Å; L129-W133 HydrophobicContact CG-CZ3 4.49Å; L129-W133 PolarHBondContact O-N 3.02Å |
| 130 | L | 88.1 | Confident | 82.4 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.7 | -33 | 177.1 | -70.2 | 168.1 | 0 | 0 | 0 | 112.6 | L126 T127 V128 N132 W133 E134 L145 I152 L177 A180 L181 A184 | L126-L130 VanDerWaalsContact O-CG 3.29Å; L126-L130 WeakPolarHBondContact O-CG 3.36Å; L126-L130 PolarHBondContact O-N 3.39Å; T127-L130 PolarHBondContact O-N 2.9Å; V128-L130 PolarHBondContact O-N 2.75Å; L130-N132 VanDerWaalsContact C-N 3.27Å; L130-N132 PolarHBondContact O-N 3.45Å; L130-W133 WeakPolarHBondContact O-CA 3.36Å; L130-W133 WeakPolarHBondContact O-CB 3.32Å; L130-W133 PolarHBondContact O-N 2.89Å; L130-W133 VanDerWaalsContact O-N 3.07Å; L130-E134 PolarHBondContact O-N 3.43Å; L130-E134 VanDerWaalsContact O-N 3.15Å; L130-L145 HydrophobicContact CD2-CD1 3.64Å; L130-I152 HydrophobicContact CD1-CG2 4.3Å; L130-I152 HydrophobicContact CD2-CD1 4.39Å; L130-L177 HydrophobicContact CD1-CD1 3.68Å; L130-A180 HydrophobicContact CB-CB 4.13Å; L130-A180 HydrophobicContact CD1-CB 4.22Å; L130-L181 HydrophobicContact CD1-CB 4.01Å; L130-L181 HydrophobicContact CD1-CD1 4.31Å; L130-L181 HydrophobicContact CD2-CD1 3.96Å; L130-A184 HydrophobicContact CB-CB 4.35Å; L130-A184 HydrophobicContact CD2-CB 4.13Å |
| 131 | G | 85.8 | Confident | 81.7 | Confident | 21 Ų | 21 | 37.5 Ų | 37.5 | 22% | 0.216 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.9 | -29.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T127 V128 L129 W133 K135 | T127-G131 PolarHBondContact O-N 3.19Å; V128-G131 PolarHBondContact O-N 3.26Å; V128-G131 VanDerWaalsContact O-N 3.16Å; L129-G131 VanDerWaalsContact C-N 3.31Å; L129-G131 PolarHBondContact O-N 3.4Å; G131-W133 VanDerWaalsContact C-N 3.35Å; G131-K135 WeakPolarHBondContact O-CG 3.38Å |
| 132 | N | 83.9 | Confident | 81.2 | Confident | 6 Ų | 6 | 38.2 Ų | 38.2 | 3% | 0.032 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -75.4 | -28 | 172.1 | -68.6 | -25.2 | 0 | 0 | 0 | 112.3 | F57 P62 L65 F66 V128 L129 L130 E134 K135 G136 | F57-N132 PolarHBondContact O-ND2 3.35Å; P62-N132 HydrophobicContact CG-CB 4.43Å; L65-N132 HydrophobicContact CD1-CB 4.18Å; L65-N132 VanDerWaalsContact CD1-ND2 3.32Å; L65-N132 WeakPolarHBondContact CD1-ND2 3.3Å; F66-N132 HydrophobicContact CE2-CB 4.11Å; V128-N132 PolarHBondContact O-N 2.81Å; L129-N132 PolarHBondContact O-N 3.39Å; L130-N132 VanDerWaalsContact C-N 3.27Å; L130-N132 PolarHBondContact O-N 3.45Å; N132-E134 VanDerWaalsContact C-N 3.35Å; N132-K135 PolarHBondContact O-N 3.06Å; N132-G136 PolarHBondContact O-N 3.09Å |
| 133 | W | 81.9 | Confident | 80.7 | Confident | 9 Ų | 9 | 46.5 Ų | 46.5 | 3% | 0.034 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.3 | -39 | 172.7 | -131.3 | -73.4 | 0 | 0 | 0 | 112.8 | F66 L129 L130 G131 K135 G136 R141 L144 L145 V148 A184 | F66-W133 HydrophobicContact CD1-CH2 4.11Å; F66-W133 HydrophobicContact CD1-CZ2 4.33Å; F66-W133 HydrophobicContact CD1-CZ3 4.21Å; F66-W133 HydrophobicContact CE1-CD2 4Å; F66-W133 AromaticContact CE1-CE3 3.45Å; F66-W133 HydrophobicContact CE1-CE3 3.45Å; F66-W133 VanDerWaalsContact CE1-CE3 3.45Å; F66-W133 AromaticContact CE1-CH2 3.37Å; F66-W133 HydrophobicContact CE1-CH2 3.37Å; F66-W133 AromaticContact CE1-CZ2 3.94Å; F66-W133 HydrophobicContact CE1-CZ2 3.94Å; F66-W133 AromaticContact CE1-CZ3 3.1Å; F66-W133 HydrophobicContact CE1-CZ3 3.1Å; F66-W133 HydrophobicContact CE2-CD2 4.25Å; F66-W133 AromaticContact CE2-CE3 3.97Å; F66-W133 HydrophobicContact CE2-CE3 3.97Å; F66-W133 HydrophobicContact CE2-CZ3 4.45Å; F66-W133 AromaticContact CZ-CD2 3.75Å; F66-W133 HydrophobicContact CZ-CD2 3.75Å; F66-W133 AromaticContact CZ-CE3 3.11Å; F66-W133 HydrophobicContact CZ-CE3 3.11Å; F66-W133 AromaticContact CZ-CH2 3.99Å; F66-W133 HydrophobicContact CZ-CH2 3.99Å; F66-W133 AromaticContact CZ-CZ3 3.27Å; F66-W133 HydrophobicContact CZ-CZ3 3.27Å; L129-W133 HydrophobicContact CG-CZ3 4.49Å; L129-W133 PolarHBondContact O-N 3.02Å; L130-W133 WeakPolarHBondContact O-CA 3.36Å; L130-W133 WeakPolarHBondContact O-CB 3.32Å; L130-W133 PolarHBondContact O-N 2.89Å; L130-W133 VanDerWaalsContact O-N 3.07Å; G131-W133 VanDerWaalsContact C-N 3.35Å; W133-K135 VanDerWaalsContact C-N 3.34Å; W133-K135 PolarHBondContact O-N 3.25Å; W133-G136 PolarHBondContact O-N 2.76Å; W133-R141 PolarHBondContact NE1-O 3.48Å; W133-L144 HydrophobicContact CH2-CB 4.34Å; W133-L144 HydrophobicContact CH2-CD2 3.42Å; W133-L144 VanDerWaalsContact CH2-CD2 3.42Å; W133-L144 HydrophobicContact CH2-CG 3.55Å; W133-L144 HydrophobicContact CZ2-CB 3.74Å; W133-L144 HydrophobicContact CZ2-CD2 3.5Å; W133-L144 VanDerWaalsContact CZ2-CD2 3.5Å; W133-L144 HydrophobicContact CZ2-CG 3.48Å; W133-L144 VanDerWaalsContact CZ2-CG 3.48Å; W133-L145 HydrophobicContact CD2-CD1 4.29Å; W133-L145 HydrophobicContact CG-CD1 4.4Å; W133-L145 HydrophobicContact CZ2-CB 4.2Å; W133-V148 HydrophobicContact CH2-CG2 4.3Å; W133-A184 HydrophobicContact CB-CB 4.17Å |
| 134 | E | 78.4 | Confident | 80.3 | Confident | 106 Ų | 106 | 46.7 Ų | 46.7 | 50% | 0.495 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 177.7 | -175.1 | 176.7 | -179.8 | 0 | 0 | 111.9 | L130 N132 G136 R183 | L130-E134 PolarHBondContact O-N 3.43Å; L130-E134 VanDerWaalsContact O-N 3.15Å; N132-E134 VanDerWaalsContact C-N 3.35Å; E134-G136 VanDerWaalsContact C-N 3.33Å; E134-R183 IonicContact OE2-NE 3.31Å |
| 135 | K | 76.1 | Confident | 80.1 | Confident | 157 Ų | 157 | 44.7 Ų | 44.7 | 68% | 0.683 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -72 | -30.1 | 179.8 | -64.8 | 171.1 | -171.2 | 167.5 | 0 | 112.5 | P62 G131 N132 W133 | P62-K135 HydrophobicContact CG-CB 4.47Å; P62-K135 HydrophobicContact CG-CD 4.46Å; G131-K135 WeakPolarHBondContact O-CG 3.38Å; N132-K135 PolarHBondContact O-N 3.06Å; W133-K135 VanDerWaalsContact C-N 3.34Å; W133-K135 PolarHBondContact O-N 3.25Å |
| 136 | G | 61.8 | Low | 79.9 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 4% | 0.041 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -97.8 | 85.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N132 W133 E134 R141 | N132-G136 PolarHBondContact O-N 3.09Å; W133-G136 PolarHBondContact O-N 2.76Å; E134-G136 VanDerWaalsContact C-N 3.33Å; G136-R141 WeakPolarHBondContact O-CD 3.23Å; G136-R141 PolarHBondContact O-NH1 3.06Å |
| 137 | G | 61.7 | Low | 79.7 | Confident | 70 Ų | 70 | 48 Ų | 48 | 72% | 0.722 | 28% | 0.278 | S | S | * | . | trans | -61.3 | 149.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R141 | G137-R141 PolarHBondContact O-NH1 3.34Š| ||
| 138 | G | 72 | Confident | 79.5 | Confident | 48 Ų | 48 | 46.4 Ų | 46.4 | 50% | 0.495 | 27% | 0.268 | S | S | . | . | trans | 153.4 | 146.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | R140 R141 A142 | G138-R140 PolarHBondContact O-N 3.1Å; G138-R141 PolarHBondContact O-N 3.17Å; G138-A142 PolarHBondContact O-N 3.36Å | ||
| 139 | A | 68.1 | Low | 79.5 | Confident | 83 Ų | 83 | 45 Ų | 45 | 69% | 0.686 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -63.3 | -35.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A142 R143 | A139-A142 WeakPolarHBondContact O-CB 3.23Å; A139-A142 PolarHBondContact O-N 3.41Å; A139-R143 PolarHBondContact O-N 3.49Å; A139-R143 VanDerWaalsContact O-N 3.09Å |
| 140 | R | 70.3 | Confident | 79.6 | Confident | 109 Ų | 109 | 45.1 Ų | 45.1 | 41% | 0.411 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -71.2 | -36.9 | 177 | -69.8 | -177.3 | 176 | 178.2 | -3.4 | 112.4 | L69 D72 G138 A142 R143 L144 | L69-R140 PolarHBondContact O-NH1 3.35Å; D72-R140 IonicContact OD1-NH2 3.64Å; D72-R140 PolarHBondContact OD1-NH2 3.15Å; G138-R140 PolarHBondContact O-N 3.1Å; R140-A142 VanDerWaalsContact C-N 3.32Å; R140-R143 PolarHBondContact O-N 3.48Å; R140-L144 PolarHBondContact O-N 3.21Å |
| 141 | R | 75.6 | Confident | 79.7 | Confident | 35 Ų | 35 | 46.2 Ų | 46.2 | 13% | 0.132 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.6 | -39.5 | 171.3 | -71.5 | 176.9 | 179.1 | 162.4 | -10.2 | 110.5 | P62 D63 F66 W133 G136 G137 G138 R143 L144 L145 | P62-R141 PolarHBondContact O-NH2 3.15Å; D63-R141 IonicContact OD1-CZ 2.96Å; D63-R141 IonicContact OD1-NH1 3.58Å; D63-R141 IonicContact OD1-NH2 2.75Å; D63-R141 PolarHBondContact OD1-NH2 3.01Å; F66-R141 HydrophobicContact CB-CG 4.13Å; F66-R141 PolarHBondContact O-NH2 3.3Å; W133-R141 PolarHBondContact NE1-O 3.48Å; G136-R141 WeakPolarHBondContact O-CD 3.23Å; G136-R141 PolarHBondContact O-NH1 3.06Å; G137-R141 PolarHBondContact O-NH1 3.34Å; G138-R141 PolarHBondContact O-N 3.17Å; R141-R143 PolarHBondContact O-N 3.18Å; R141-L144 PolarHBondContact O-N 3.29Å; R141-L145 WeakPolarHBondContact O-CB 3.31Å; R141-L145 PolarHBondContact O-N 3.47Å |
| 142 | A | 78.2 | Confident | 79.9 | Confident | 38 Ų | 38 | 45.3 Ų | 45.3 | 31% | 0.314 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G138 A139 R140 L145 L146 | G138-A142 PolarHBondContact O-N 3.36Å; A139-A142 WeakPolarHBondContact O-CB 3.23Å; A139-A142 PolarHBondContact O-N 3.41Å; R140-A142 VanDerWaalsContact C-N 3.32Å; A142-L145 WeakPolarHBondContact O-CB 3.09Å; A142-L145 PolarHBondContact O-N 3.31Å; A142-L146 WeakPolarHBondContact O-CG 3.37Å; A142-L146 PolarHBondContact O-N 3.41Å |
| 143 | R | 79.7 | Confident | 80.3 | Confident | 174 Ų | 174 | 45 Ų | 45 | 66% | 0.657 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63.6 | -44.6 | 175.2 | -74.4 | -176.6 | 172.3 | -177.8 | -2.1 | 113.1 | W77 A139 R140 R141 L145 L146 A147 | W77-R143 HydrophobicContact CZ2-CB 4.03Å; A139-R143 PolarHBondContact O-N 3.49Å; A139-R143 VanDerWaalsContact O-N 3.09Å; R140-R143 PolarHBondContact O-N 3.48Å; R141-R143 PolarHBondContact O-N 3.18Å; R143-L145 VanDerWaalsContact C-N 3.3Å; R143-L145 PolarHBondContact O-N 2.93Å; R143-L146 PolarHBondContact O-N 2.73Å; R143-A147 PolarHBondContact O-N 2.82Å |
| 144 | L | 82.8 | Confident | 80.7 | Confident | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.3 | -37.8 | 176.7 | 178.8 | 68.3 | 0 | 0 | 0 | 111 | F66 Q81 Y84 W133 R140 R141 L146 A147 V148 | F66-L144 HydrophobicContact CD1-CD2 4.18Å; F66-L144 HydrophobicContact CE1-CD2 4.42Å; Q81-L144 HydrophobicContact CB-CD1 3.94Å; Q81-L144 HydrophobicContact CG-CD1 4.11Å; Y84-L144 HydrophobicContact CD2-CD1 4.35Å; Y84-L144 HydrophobicContact CD2-CD2 3.83Å; Y84-L144 HydrophobicContact CE2-CD2 4.04Å; W133-L144 HydrophobicContact CH2-CB 4.34Å; W133-L144 HydrophobicContact CH2-CD2 3.42Å; W133-L144 VanDerWaalsContact CH2-CD2 3.42Å; W133-L144 HydrophobicContact CH2-CG 3.55Å; W133-L144 HydrophobicContact CZ2-CB 3.74Å; W133-L144 HydrophobicContact CZ2-CD2 3.5Å; W133-L144 VanDerWaalsContact CZ2-CD2 3.5Å; W133-L144 HydrophobicContact CZ2-CG 3.48Å; W133-L144 VanDerWaalsContact CZ2-CG 3.48Å; R140-L144 PolarHBondContact O-N 3.21Å; R141-L144 PolarHBondContact O-N 3.29Å; L144-L146 PolarHBondContact O-N 2.93Å; L144-A147 WeakPolarHBondContact O-CB 3.37Å; L144-A147 PolarHBondContact O-N 3.25Å; L144-V148 WeakPolarHBondContact O-CG2 3.31Å; L144-V148 PolarHBondContact O-N 3.08Å |
| 145 | L | 86.1 | Confident | 81.3 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.8 | -44.2 | 173.5 | -174.3 | 62.5 | 0 | 0 | 0 | 111.7 | L130 W133 R141 A142 R143 A147 V148 A149 L181 A184 G185 W187 | L130-L145 HydrophobicContact CD2-CD1 3.64Å; W133-L145 HydrophobicContact CD2-CD1 4.29Å; W133-L145 HydrophobicContact CG-CD1 4.4Å; W133-L145 HydrophobicContact CZ2-CB 4.2Å; R141-L145 WeakPolarHBondContact O-CB 3.31Å; R141-L145 PolarHBondContact O-N 3.47Å; A142-L145 WeakPolarHBondContact O-CB 3.09Å; A142-L145 PolarHBondContact O-N 3.31Å; R143-L145 VanDerWaalsContact C-N 3.3Å; R143-L145 PolarHBondContact O-N 2.93Å; L145-A147 PolarHBondContact O-N 3.41Å; L145-V148 HydrophobicContact CD1-CG2 4.46Å; L145-V148 PolarHBondContact O-N 2.88Å; L145-A149 WeakPolarHBondContact O-CB 3.42Å; L145-A149 PolarHBondContact O-N 3.39Å; L145-L181 HydrophobicContact CD1-CD1 4.18Å; L145-A184 HydrophobicContact CD1-CB 4.4Å; L145-A184 VanDerWaalsContact CD2-C 3.45Å; L145-A184 HydrophobicContact CD2-CB 3.94Å; L145-A184 WeakPolarHBondContact CD2-O 3.45Å; L145-G185 VanDerWaalsContact CD2-CA 3.47Å; L145-W187 HydrophobicContact CD2-CH2 3.9Å; L145-W187 HydrophobicContact CD2-CZ3 4.01Å; L145-W187 HydrophobicContact CG-CH2 4.14Å |
| 146 | L | 86.1 | Confident | 82 | Confident | 43 Ų | 43 | 32.8 Ų | 32.8 | 23% | 0.225 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.7 | -33.6 | 177.5 | -72.1 | 169.7 | 0 | 0 | 0 | 112.5 | A142 R143 L144 P150 W187 I203 | A142-L146 WeakPolarHBondContact O-CG 3.37Å; A142-L146 PolarHBondContact O-N 3.41Å; R143-L146 PolarHBondContact O-N 2.73Å; L144-L146 PolarHBondContact O-N 2.93Å; L146-P150 WeakPolarHBondContact O-CD 3.26Å; L146-W187 HydrophobicContact CD2-CZ2 3.88Å; L146-I203 HydrophobicContact CD2-CG2 3.89Å |
| 147 | A | 85.8 | Confident | 83.3 | Confident | 28 Ų | 28 | 32.9 Ų | 32.9 | 23% | 0.231 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.8 | -36.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q81 R143 L144 L145 | Q81-A147 HydrophobicContact CG-CB 3.76Å; R143-A147 PolarHBondContact O-N 2.82Å; L144-A147 WeakPolarHBondContact O-CB 3.37Å; L144-A147 PolarHBondContact O-N 3.25Å; L145-A147 PolarHBondContact O-N 3.41Å |
| 148 | V | 88.4 | Confident | 84.6 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -98.6 | -13.9 | -174.6 | -56.7 | 0 | 0 | 0 | 0 | 114.1 | I88 W133 L144 L145 P151 I152 | I88-V148 HydrophobicContact CD1-CB 3.52Å; I88-V148 HydrophobicContact CD1-CG1 3.75Å; I88-V148 HydrophobicContact CD1-CG2 3.97Å; W133-V148 HydrophobicContact CH2-CG2 4.3Å; L144-V148 WeakPolarHBondContact O-CG2 3.31Å; L144-V148 PolarHBondContact O-N 3.08Å; L145-V148 HydrophobicContact CD1-CG2 4.46Å; L145-V148 PolarHBondContact O-N 2.88Å; V148-P151 VanDerWaalsContact O-CD 3.25Å; V148-P151 WeakPolarHBondContact O-CD 3.48Å; V148-P151 VanDerWaalsContact O-CG 3.31Å; V148-P151 WeakPolarHBondContact O-CG 3.49Å; V148-I152 HydrophobicContact CG2-CD1 4.33Å; V148-I152 WeakPolarHBondContact O-CD1 3.39Å; V148-I152 VanDerWaalsContact O-CG1 3.31Å; V148-I152 WeakPolarHBondContact O-CG1 3.42Å |
| 149 | A | 89.3 | Confident | 85.5 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.7 | -39.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L145 I152 Y153 L181 W187 I203 | L145-A149 WeakPolarHBondContact O-CB 3.42Å; L145-A149 PolarHBondContact O-N 3.39Å; A149-I152 PolarHBondContact O-N 2.94Å; A149-Y153 WeakPolarHBondContact O-CB 3.4Å; A149-Y153 PolarHBondContact O-N 2.85Å; A149-L181 HydrophobicContact CB-CD1 3.9Å; A149-W187 HydrophobicContact CB-CH2 4.44Å; A149-I203 HydrophobicContact CB-CD1 4.41Å; A149-I203 HydrophobicContact CB-CG2 3.79Å |
| 150 | P | 91.1 | Very high | 86.3 | Confident | 6 Ų | 6 | 24.4 Ų | 24.4 | 4% | 0.039 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -55 | -52.6 | -179.9 | -24.7 | 31.5 | 0 | 0 | 0 | 115.3 | L146 I152 Y153 L154 I203 V207 I210 | L146-P150 WeakPolarHBondContact O-CD 3.26Å; P150-I152 PolarHBondContact O-N 2.91Å; P150-Y153 PolarHBondContact O-N 3.37Å; P150-L154 WeakPolarHBondContact O-CG 3.38Å; P150-L154 PolarHBondContact O-N 3.04Å; P150-I203 HydrophobicContact CG-CB 4.22Å; P150-V207 HydrophobicContact CB-CG2 3.78Å; P150-I210 HydrophobicContact CB-CD1 3.8Å |
| 151 | P | 90.1 | Very high | 87 | Confident | 25 Ų | 25 | 23 Ų | 23 | 16% | 0.162 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67 | -35.2 | 178.8 | 26.2 | -35.1 | 0 | 0 | 0 | 112.6 | I88 I92 V148 L154 F155 I210 | I88-P151 HydrophobicContact CG2-CG 4.24Å; I92-P151 HydrophobicContact CD1-CB 3.86Å; I92-P151 WeakPolarHBondContact CD1-O 3.42Å; V148-P151 VanDerWaalsContact O-CD 3.25Å; V148-P151 WeakPolarHBondContact O-CD 3.48Å; V148-P151 VanDerWaalsContact O-CG 3.31Å; V148-P151 WeakPolarHBondContact O-CG 3.49Å; P151-L154 PolarHBondContact O-N 3.25Å; P151-F155 WeakPolarHBondContact O-CB 3.32Å; P151-F155 PolarHBondContact O-N 3.31Å; P151-I210 HydrophobicContact CB-CD1 4.25Å |
| 152 | I | 91.1 | Very high | 87.5 | Confident | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.2 | -44.2 | 176 | -63.8 | 174.1 | 0 | 0 | 0 | 110.8 | I88 L126 L130 V148 A149 P150 F155 S156 L177 L181 | I88-I152 HydrophobicContact CD1-CD1 4.18Å; I88-I152 HydrophobicContact CG2-CD1 4.39Å; I88-I152 HydrophobicContact CG2-CG1 3.8Å; L126-I152 HydrophobicContact CD1-CG1 4.45Å; L130-I152 HydrophobicContact CD1-CG2 4.3Å; L130-I152 HydrophobicContact CD2-CD1 4.39Å; V148-I152 HydrophobicContact CG2-CD1 4.33Å; V148-I152 WeakPolarHBondContact O-CD1 3.39Å; V148-I152 VanDerWaalsContact O-CG1 3.31Å; V148-I152 WeakPolarHBondContact O-CG1 3.42Å; A149-I152 PolarHBondContact O-N 2.94Å; P150-I152 PolarHBondContact O-N 2.91Å; I152-F155 PolarHBondContact O-N 3.2Å; I152-S156 PolarHBondContact O-N 3.44Å; I152-L177 HydrophobicContact CG2-CD1 3.93Å; I152-L177 HydrophobicContact CG2-CD2 4.08Å; I152-L177 HydrophobicContact CG2-CG 4.05Å; I152-L181 HydrophobicContact CG2-CD2 4.3Å |
| 153 | Y | 91.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.8 | -51.9 | 176.5 | 169.1 | -101.1 | 0 | 0 | 0 | 110.7 | A149 P150 F155 S156 V157 L193 L194 I203 V207 W232 T233 | A149-Y153 WeakPolarHBondContact O-CB 3.4Å; A149-Y153 PolarHBondContact O-N 2.85Å; P150-Y153 PolarHBondContact O-N 3.37Å; Y153-F155 VanDerWaalsContact C-N 3.29Å; Y153-F155 PolarHBondContact O-N 3.06Å; Y153-S156 PolarHBondContact O-N 3.18Å; Y153-S156 VanDerWaalsContact O-N 3.08Å; Y153-S156 PolarHBondContact O-OG 3.19Å; Y153-V157 HydrophobicContact CD2-CG2 4.25Å; Y153-V157 HydrophobicContact CE1-CG2 4.09Å; Y153-V157 HydrophobicContact CE2-CG2 3.8Å; Y153-V157 WeakPolarHBondContact O-CG2 3.25Å; Y153-V157 PolarHBondContact O-N 2.84Å; Y153-L193 HydrophobicContact CD2-CD2 3.65Å; Y153-L193 HydrophobicContact CE2-CD2 4.2Å; Y153-L193 HydrophobicContact CG-CD2 4.34Å; Y153-L194 HydrophobicContact CD1-CD2 4.46Å; Y153-L194 HydrophobicContact CE1-CD2 3.96Å; Y153-I203 HydrophobicContact CD1-CD1 4.42Å; Y153-I203 HydrophobicContact CG-CD1 4.07Å; Y153-V207 HydrophobicContact CD1-CG2 3.88Å; Y153-V207 HydrophobicContact CE1-CG1 4.5Å; Y153-V207 HydrophobicContact CE1-CG2 4.45Å; Y153-W232 VanDerWaalsContact OH-CD1 3.31Å; Y153-T233 HydrophobicContact CE1-CG2 4.38Å |
| 154 | L | 90.1 | Very high | 88.1 | Confident | 7 Ų | 7 | 24.2 Ų | 24.2 | 4% | 0.037 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59 | -39.6 | 179.4 | -75 | 176.5 | 0 | 0 | 0 | 112.7 | P150 P151 V157 T158 V207 I210 L211 Q229 | P150-L154 WeakPolarHBondContact O-CG 3.38Å; P150-L154 PolarHBondContact O-N 3.04Å; P151-L154 PolarHBondContact O-N 3.25Å; L154-V157 PolarHBondContact O-N 2.68Å; L154-T158 WeakPolarHBondContact O-CG2 3.31Å; L154-T158 PolarHBondContact O-N 3.36Å; L154-V207 HydrophobicContact CD1-CG1 4.32Å; L154-V207 HydrophobicContact CD2-CG1 3.87Å; L154-V207 HydrophobicContact CG-CG1 4.16Å; L154-I210 HydrophobicContact CD1-CB 3.88Å; L154-I210 HydrophobicContact CD1-CD1 4.17Å; L154-I210 HydrophobicContact CD1-CG2 3.55Å; L154-L211 HydrophobicContact CD1-CD2 4.21Å; L154-L211 HydrophobicContact CD1-CG 4.18Å; L154-L211 HydrophobicContact CD2-CD1 4.01Å; L154-L211 HydrophobicContact CD2-CD2 3.9Å; L154-L211 HydrophobicContact CD2-CG 4.03Å; L154-Q229 HydrophobicContact CD2-CB 4.02Å; L154-Q229 HydrophobicContact CD2-CG 4.17Å; L154-Q229 PolarHBondContact O-NE2 3.15Å |
| 155 | F | 90.7 | Very high | 88.3 | Confident | 8 Ų | 8 | 24.2 Ų | 24.2 | 4% | 0.035 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.5 | -38.4 | 174.7 | 176.1 | -104.9 | 0 | 0 | 0 | 112.8 | I92 A95 A119 V122 S123 L126 P151 I152 Y153 V157 T158 H159 L177 | I92-F155 HydrophobicContact CB-CD2 4.42Å; I92-F155 HydrophobicContact CD1-CB 3.96Å; I92-F155 HydrophobicContact CD1-CG 4.48Å; I92-F155 HydrophobicContact CG1-CB 3.97Å; I92-F155 HydrophobicContact CG1-CD1 4.42Å; I92-F155 HydrophobicContact CG1-CD2 4.25Å; I92-F155 HydrophobicContact CG1-CG 3.95Å; I92-F155 HydrophobicContact CG2-CB 4.17Å; I92-F155 HydrophobicContact CG2-CD2 3.8Å; I92-F155 HydrophobicContact CG2-CG 4.21Å; A95-F155 HydrophobicContact CB-CE2 3.75Å; A95-F155 HydrophobicContact CB-CZ 4.02Å; A119-F155 HydrophobicContact CB-CZ 4.19Å; V122-F155 HydrophobicContact CB-CE1 4.16Å; V122-F155 HydrophobicContact CB-CZ 3.92Å; V122-F155 HydrophobicContact CG1-CD1 4.43Å; V122-F155 HydrophobicContact CG1-CE1 3.67Å; V122-F155 HydrophobicContact CG1-CZ 3.71Å; S123-F155 WeakPolarHBondContact OG-CE1 3.1Å; L126-F155 HydrophobicContact CD1-CD1 4.27Å; P151-F155 WeakPolarHBondContact O-CB 3.32Å; P151-F155 PolarHBondContact O-N 3.31Å; I152-F155 PolarHBondContact O-N 3.2Å; Y153-F155 VanDerWaalsContact C-N 3.29Å; Y153-F155 PolarHBondContact O-N 3.06Å; F155-V157 VanDerWaalsContact C-N 3.31Å; F155-V157 PolarHBondContact O-N 3.16Å; F155-T158 PolarHBondContact O-N 2.84Å; F155-T158 PolarHBondContact O-OG1 3.42Å; F155-H159 AromaticContact CE2-CD2 3.71Å; F155-H159 AromaticContact CE2-NE2 3.45Å; F155-H159 WeakPolarHBondContact CE2-NE2 3.36Å; F155-H159 AromaticContact CZ-CD2 3.93Å; F155-H159 AromaticContact CZ-NE2 3.97Å; F155-H159 PolarHBondContact O-CD2 3.48Å; F155-L177 HydrophobicContact CD1-CD2 3.88Å; F155-L177 HydrophobicContact CE1-CD2 4.24Å |
| 156 | S | 91.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 175.2 | 72.8 | 0 | 0 | 0 | 0 | 111 | I152 Y153 T158 H159 F160 | I152-S156 PolarHBondContact O-N 3.44Å; Y153-S156 PolarHBondContact O-N 3.18Å; Y153-S156 VanDerWaalsContact O-N 3.08Å; Y153-S156 PolarHBondContact O-OG 3.19Å; S156-T158 PolarHBondContact O-N 2.92Å; S156-H159 PolarHBondContact O-N 3.46Å; S156-H159 VanDerWaalsContact O-N 3.16Å; S156-F160 VanDerWaalsContact C-CE1 3.46Å; S156-F160 WeakPolarHBondContact O-CD1 3.15Å; S156-F160 WeakPolarHBondContact O-CE1 3.24Å |
| 157 | V | 89.4 | Confident | 88.7 | Confident | 6 Ų | 6 | 24.8 Ų | 24.8 | 4% | 0.036 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64 | -36.4 | -177.9 | 171.8 | 0 | 0 | 0 | 0 | 112.5 | Y153 L154 F155 H159 F160 Q229 W232 | Y153-V157 HydrophobicContact CD2-CG2 4.25Å; Y153-V157 HydrophobicContact CE1-CG2 4.09Å; Y153-V157 HydrophobicContact CE2-CG2 3.8Å; Y153-V157 WeakPolarHBondContact O-CG2 3.25Å; Y153-V157 PolarHBondContact O-N 2.84Å; L154-V157 PolarHBondContact O-N 2.68Å; F155-V157 VanDerWaalsContact C-N 3.31Å; F155-V157 PolarHBondContact O-N 3.16Å; V157-H159 PolarHBondContact O-N 3.31Å; V157-H159 VanDerWaalsContact O-N 3.08Å; V157-F160 HydrophobicContact CG2-CD2 4.34Å; V157-F160 HydrophobicContact CG2-CE2 3.91Å; V157-F160 HydrophobicContact CG2-CZ 4.43Å; V157-F160 PolarHBondContact O-N 3.21Å; V157-Q229 HydrophobicContact CG1-CG 4.45Å; V157-W232 HydrophobicContact CG1-CB 3.63Å; V157-W232 HydrophobicContact CG1-CD2 4.44Å; V157-W232 HydrophobicContact CG1-CG 3.61Å; V157-W232 VanDerWaalsContact CG2-CD1 3.46Å; V157-W232 HydrophobicContact CG2-CG 4.28Å |
| 158 | T | 89.4 | Confident | 88.9 | Confident | 10 Ų | 10 | 26.6 Ų | 26.6 | 6% | 0.061 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62 | -19.1 | 178.1 | 50.6 | 0 | 0 | 0 | 0 | 113.8 | L154 F155 S156 W165 A225 Q229 | L154-T158 WeakPolarHBondContact O-CG2 3.31Å; L154-T158 PolarHBondContact O-N 3.36Å; F155-T158 PolarHBondContact O-N 2.84Å; F155-T158 PolarHBondContact O-OG1 3.42Å; S156-T158 PolarHBondContact O-N 2.92Å; T158-W165 PolarHBondContact O-NE1 3.36Å; T158-A225 HydrophobicContact CG2-CB 3.82Å; T158-Q229 VanDerWaalsContact CG2-CD 3.46Å; T158-Q229 HydrophobicContact CG2-CG 3.56Å |
| 159 | H | 89.8 | Confident | 89 | Confident | 3 Ų | 3 | 29.6 Ų | 29.6 | 1% | 0.014 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | 20 | -177.5 | -61.5 | -70.9 | 0 | 0 | 0 | 112.8 | A119 F155 S156 V157 W165 T166 R171 A174 | A119-H159 VanDerWaalsContact CB-CE1 3.44Å; A119-H159 WeakPolarHBondContact CB-CE1 3.34Å; F155-H159 AromaticContact CE2-CD2 3.71Å; F155-H159 AromaticContact CE2-NE2 3.45Å; F155-H159 WeakPolarHBondContact CE2-NE2 3.36Å; F155-H159 AromaticContact CZ-CD2 3.93Å; F155-H159 AromaticContact CZ-NE2 3.97Å; F155-H159 PolarHBondContact O-CD2 3.48Å; S156-H159 PolarHBondContact O-N 3.46Å; S156-H159 VanDerWaalsContact O-N 3.16Å; V157-H159 PolarHBondContact O-N 3.31Å; V157-H159 VanDerWaalsContact O-N 3.08Å; H159-W165 AromaticContact CE1-CD1 3.88Å; H159-W165 AromaticContact ND1-CD1 3.83Å; H159-T166 HydrophobicContact CB-CG2 4.49Å; H159-R171 VanDerWaalsContact O-CA 3.3Å; H159-R171 WeakPolarHBondContact O-CA 3.48Å; H159-R171 WeakPolarHBondContact O-CG 3.29Å; H159-A174 HydrophobicContact CB-CB 3.74Å |
| 160 | F | 85.4 | Confident | 89.1 | Confident | 10 Ų | 10 | 29.6 Ų | 29.6 | 4% | 0.044 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -84.9 | -40.1 | 177.9 | -77.8 | -2.9 | 0 | 0 | 0 | 115 | S156 V157 A174 R175 Q178 W232 | S156-F160 VanDerWaalsContact C-CE1 3.46Å; S156-F160 WeakPolarHBondContact O-CD1 3.15Å; S156-F160 WeakPolarHBondContact O-CE1 3.24Å; V157-F160 HydrophobicContact CG2-CD2 4.34Å; V157-F160 HydrophobicContact CG2-CE2 3.91Å; V157-F160 HydrophobicContact CG2-CZ 4.43Å; V157-F160 PolarHBondContact O-N 3.21Å; F160-A174 HydrophobicContact CD1-CB 3.93Å; F160-A174 HydrophobicContact CE1-CB 3.99Å; F160-R175 HydrophobicContact CD1-CG 4.34Å; F160-R175 HydrophobicContact CE1-CG 4.48Å; F160-R175 PolarHBondContact O-NH2 3.09Å; F160-Q178 HydrophobicContact CE1-CB 4.19Å; F160-Q178 VanDerWaalsContact CE2-OE1 3.23Å; F160-Q178 HydrophobicContact CZ-CB 3.74Å; F160-Q178 HydrophobicContact CZ-CG 3.91Å; F160-W232 AromaticContact CD2-CE2 3.83Å; F160-W232 HydrophobicContact CD2-CH2 4.22Å; F160-W232 AromaticContact CD2-CZ2 3.67Å; F160-W232 HydrophobicContact CD2-CZ2 3.67Å; F160-W232 AromaticContact CE2-CZ2 3.99Å; F160-W232 HydrophobicContact CE2-CZ2 3.99Å; F160-W232 AromaticContact CE2-NE1 4Å |
| 161 | Q | 85.3 | Confident | 89.2 | Confident | 79 Ų | 79 | 31.4 Ų | 31.4 | 37% | 0.369 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -92.5 | 163.4 | -173.7 | -61.2 | -168.2 | 19.7 | 0 | 0 | 111.2 | E163 T166 R171 | Q161-E163 HydrophobicContact CB-CG 4.38Å; Q161-E163 PolarHBondContact O-N 3.47Å; Q161-E163 VanDerWaalsContact O-N 3.17Å; Q161-T166 PolarHBondContact O-OG1 2.91Å; Q161-T166 VanDerWaalsContact O-OG1 3.11Å; Q161-R171 WeakPolarHBondContact O-CD 3.45Å |
| 162 | D | 86.3 | Confident | 89.4 | Confident | 126 Ų | 126 | 33 Ų | 33 | 67% | 0.674 | 20% | 0.195 | S | C | * | . | trans | -80 | 95.1 | 177.1 | -164.9 | 32 | 0 | 0 | 0 | 109.1 | R171 | D162-R171 IonicContact OD1-CZ 2.9Å; D162-R171 VanDerWaalsContact OD1-CZ 3.27Å; D162-R171 IonicContact OD1-NH1 3.4Å; D162-R171 PolarHBondContact OD1-NH1 2.85Å; D162-R171 IonicContact OD1-NH2 3.1Å; D162-R171 PolarHBondContact OD1-NH2 2.96Å | ||
| 163 | E | 85.9 | Confident | 89.4 | Confident | 59 Ų | 59 | 33.7 Ų | 33.7 | 28% | 0.276 | 20% | 0.201 | S | C | . | . | trans | -122.7 | 162.6 | -178.4 | -68.2 | -65.8 | 166 | 0 | 0 | 110.7 | Q161 W165 T166 L228 | Q161-E163 HydrophobicContact CB-CG 4.38Å; Q161-E163 PolarHBondContact O-N 3.47Å; Q161-E163 VanDerWaalsContact O-N 3.17Å; E163-W165 HydrophobicContact CB-CD2 3.85Å; E163-W165 HydrophobicContact CB-CE3 3.99Å; E163-W165 HydrophobicContact CB-CH2 3.8Å; E163-W165 HydrophobicContact CB-CZ2 3.68Å; E163-W165 HydrophobicContact CB-CZ3 3.95Å; E163-W165 HydrophobicContact CG-CH2 3.76Å; E163-W165 HydrophobicContact CG-CZ2 3.66Å; E163-W165 HydrophobicContact CG-CZ3 4.35Å; E163-W165 PolarHBondContact O-N 2.95Å; E163-T166 HydrophobicContact CB-CG2 4.06Å; E163-T166 PolarHBondContact N-OG1 3.42Å; E163-T166 PolarHBondContact O-N 3.03Å; E163-T166 PolarHBondContact O-OG1 2.93Å; E163-L228 HydrophobicContact CG-CD1 3.73Å | ||
| 164 | V | 84.3 | Confident | 89.4 | Confident | 88 Ų | 88 | 33.7 Ų | 33.7 | 53% | 0.533 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -26.3 | -177.3 | -171.3 | 0 | 0 | 0 | 0 | 112.7 | A109 Y112 | A109-V164 HydrophobicContact CB-CG1 3.74Å; Y112-V164 HydrophobicContact CD2-CB 4.35Å; Y112-V164 HydrophobicContact CD2-CG1 3.82Å; Y112-V164 HydrophobicContact CE2-CG1 4.28Å |
| 165 | W | 87.1 | Confident | 89.6 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 2% | 0.023 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 15.1 | 179.7 | 63.9 | 84 | 0 | 0 | 0 | 114.7 | L97 Y112 V115 P116 T158 H159 E163 A224 A225 L228 | L97-W165 HydrophobicContact CD1-CD2 4.15Å; L97-W165 HydrophobicContact CD1-CG 4.3Å; L97-W165 HydrophobicContact CD1-CZ2 4.41Å; L97-W165 HydrophobicContact CD2-CB 3.47Å; L97-W165 VanDerWaalsContact CD2-CB 3.47Å; L97-W165 HydrophobicContact CD2-CD2 3.87Å; L97-W165 HydrophobicContact CD2-CG 3.32Å; L97-W165 HydrophobicContact CG-CG 4.45Å; Y112-W165 HydrophobicContact CD1-CB 3.54Å; Y112-W165 HydrophobicContact CE1-CB 4.23Å; Y112-W165 HydrophobicContact CE1-CE3 4.46Å; Y112-W165 HydrophobicContact CG-CB 3.77Å; V115-W165 HydrophobicContact CG1-CB 4.34Å; P116-W165 WeakPolarHBondContact CG-O 3.42Å; T158-W165 PolarHBondContact O-NE1 3.36Å; H159-W165 AromaticContact CE1-CD1 3.88Å; H159-W165 AromaticContact ND1-CD1 3.83Å; E163-W165 HydrophobicContact CB-CD2 3.85Å; E163-W165 HydrophobicContact CB-CE3 3.99Å; E163-W165 HydrophobicContact CB-CH2 3.8Å; E163-W165 HydrophobicContact CB-CZ2 3.68Å; E163-W165 HydrophobicContact CB-CZ3 3.95Å; E163-W165 HydrophobicContact CG-CH2 3.76Å; E163-W165 HydrophobicContact CG-CZ2 3.66Å; E163-W165 HydrophobicContact CG-CZ3 4.35Å; E163-W165 PolarHBondContact O-N 2.95Å; W165-A224 HydrophobicContact CH2-CB 3.73Å; W165-A224 HydrophobicContact CZ3-CB 3.76Å; W165-A225 HydrophobicContact CZ2-CB 4.3Å; W165-L228 HydrophobicContact CH2-CD1 3.66Å; W165-L228 HydrophobicContact CZ2-CD1 3.52Å |
| 166 | T | 89.8 | Confident | 89.7 | Confident | 16 Ų | 16 | 47.4 Ų | 47.4 | 10% | 0.098 | 25% | 0.252 | C | S | . | . | trans | -122.9 | 151.8 | -177.8 | 69.6 | 0 | 0 | 0 | 0 | 112.4 | H159 Q161 E163 R171 | H159-T166 HydrophobicContact CB-CG2 4.49Å; Q161-T166 PolarHBondContact O-OG1 2.91Å; Q161-T166 VanDerWaalsContact O-OG1 3.11Å; E163-T166 HydrophobicContact CB-CG2 4.06Å; E163-T166 PolarHBondContact N-OG1 3.42Å; E163-T166 PolarHBondContact O-N 3.03Å; E163-T166 PolarHBondContact O-OG1 2.93Å; T166-R171 PolarHBondContact OG1-NH1 2.8Å; T166-R171 VanDerWaalsContact OG1-NH1 3.14Å | ||
| 167 | S | 90.6 | Very high | 89.8 | Confident | 40 Ų | 40 | 47.4 Ų | 47.4 | 28% | 0.28 | 25% | 0.252 | S | S | . | . | trans | -125.9 | 164.8 | 171.5 | 74.8 | 0 | 0 | 0 | 0 | 110.5 | A169 S170 R171 | S167-A169 PolarHBondContact O-N 2.8Å; S167-A169 PolarHBondContact OG-N 2.71Å; S167-S170 PolarHBondContact N-OG 3.29Å; S167-S170 PolarHBondContact O-N 2.85Å; S167-S170 VanDerWaalsContact O-N 3.15Å; S167-S170 PolarHBondContact O-OG 3.39Å; S167-S170 VanDerWaalsContact O-OG 3.08Å; S167-S170 PolarHBondContact OG-N 3.07Å; S167-S170 VanDerWaalsContact OG-N 3.17Å; S167-R171 WeakPolarHBondContact O-CG 3.22Å; S167-R171 PolarHBondContact O-N 3.17Å | ||
| 168 | A | 90.8 | Very high | 89.9 | Confident | 66 Ų | 66 | 48.3 Ų | 48.3 | 55% | 0.545 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -55.9 | -34.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T172 | A168-T172 WeakPolarHBondContact O-CB 3.35Å; A168-T172 PolarHBondContact O-N 2.96Å; A168-T172 VanDerWaalsContact O-N 3.1Å; A168-T172 PolarHBondContact O-OG1 3.36Å |
| 169 | A | 90.1 | Very high | 90.1 | Very high | 64 Ų | 64 | 48.7 Ų | 48.7 | 53% | 0.529 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -68.9 | -48.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S167 R171 T172 A173 | S167-A169 PolarHBondContact O-N 2.8Å; S167-A169 PolarHBondContact OG-N 2.71Å; A169-R171 VanDerWaalsContact C-N 3.32Å; A169-R171 PolarHBondContact O-N 3.07Å; A169-T172 PolarHBondContact O-N 3.37Å; A169-A173 WeakPolarHBondContact O-CB 3.45Å; A169-A173 PolarHBondContact O-N 2.67Å |
| 170 | S | 91.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 179.1 | 79.3 | 0 | 0 | 0 | 0 | 111.5 | P116 S167 T172 A173 A174 | P116-S170 WeakPolarHBondContact O-CB 3.46Å; S167-S170 PolarHBondContact N-OG 3.29Å; S167-S170 PolarHBondContact O-N 2.85Å; S167-S170 VanDerWaalsContact O-N 3.15Å; S167-S170 PolarHBondContact O-OG 3.39Å; S167-S170 VanDerWaalsContact O-OG 3.08Å; S167-S170 PolarHBondContact OG-N 3.07Å; S167-S170 VanDerWaalsContact OG-N 3.17Å; S170-T172 PolarHBondContact O-N 3.4Å; S170-A173 PolarHBondContact O-N 3.14Å; S170-A174 WeakPolarHBondContact O-CB 3.06Å; S170-A174 PolarHBondContact O-N 2.74Å |
| 171 | R | 93.8 | Very high | 90.4 | Very high | 44 Ų | 44 | 48.2 Ų | 48.2 | 17% | 0.166 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.8 | -40.3 | 175.9 | -67 | -166.7 | -68.7 | -95.1 | 16.2 | 112.7 | H159 Q161 D162 T166 S167 A169 R175 | H159-R171 VanDerWaalsContact O-CA 3.3Å; H159-R171 WeakPolarHBondContact O-CA 3.48Å; H159-R171 WeakPolarHBondContact O-CG 3.29Å; Q161-R171 WeakPolarHBondContact O-CD 3.45Å; D162-R171 IonicContact OD1-CZ 2.9Å; D162-R171 VanDerWaalsContact OD1-CZ 3.27Å; D162-R171 IonicContact OD1-NH1 3.4Å; D162-R171 PolarHBondContact OD1-NH1 2.85Å; D162-R171 IonicContact OD1-NH2 3.1Å; D162-R171 PolarHBondContact OD1-NH2 2.96Å; T166-R171 PolarHBondContact OG1-NH1 2.8Å; T166-R171 VanDerWaalsContact OG1-NH1 3.14Å; S167-R171 WeakPolarHBondContact O-CG 3.22Å; S167-R171 PolarHBondContact O-N 3.17Å; A169-R171 VanDerWaalsContact C-N 3.32Å; A169-R171 PolarHBondContact O-N 3.07Å; R171-R175 WeakPolarHBondContact O-CG 3.4Å; R171-R175 PolarHBondContact O-N 3.32Å; R171-R175 VanDerWaalsContact O-N 3.08Å |
| 172 | T | 92.8 | Very high | 90.6 | Very high | 59 Ų | 59 | 45.7 Ų | 45.7 | 36% | 0.362 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67 | -41.3 | 176.9 | -57.6 | 0 | 0 | 0 | 0 | 110.9 | A168 A169 S170 R175 R176 | A168-T172 WeakPolarHBondContact O-CB 3.35Å; A168-T172 PolarHBondContact O-N 2.96Å; A168-T172 VanDerWaalsContact O-N 3.1Å; A168-T172 PolarHBondContact O-OG1 3.36Å; A169-T172 PolarHBondContact O-N 3.37Å; S170-T172 PolarHBondContact O-N 3.4Å; T172-R175 PolarHBondContact O-N 3.22Å; T172-R176 WeakPolarHBondContact O-CG 3.33Å; T172-R176 PolarHBondContact O-N 3.29Å |
| 173 | A | 91.3 | Very high | 90.7 | Very high | 16 Ų | 16 | 46.2 Ų | 46.2 | 13% | 0.132 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.9 | -43.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A120 A169 S170 R175 R176 L177 | A120-A173 HydrophobicContact CB-CB 4.24Å; A169-A173 WeakPolarHBondContact O-CB 3.45Å; A169-A173 PolarHBondContact O-N 2.67Å; S170-A173 PolarHBondContact O-N 3.14Å; A173-R175 PolarHBondContact O-N 3.08Å; A173-R176 WeakPolarHBondContact O-CB 3.44Å; A173-R176 PolarHBondContact O-N 3.23Å; A173-L177 PolarHBondContact O-N 3.08Å |
| 174 | A | 92.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.5 | -42 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | H159 F160 S170 R176 L177 Q178 | H159-A174 HydrophobicContact CB-CB 3.74Å; F160-A174 HydrophobicContact CD1-CB 3.93Å; F160-A174 HydrophobicContact CE1-CB 3.99Å; S170-A174 WeakPolarHBondContact O-CB 3.06Å; S170-A174 PolarHBondContact O-N 2.74Å; A174-R176 PolarHBondContact O-N 3.01Å; A174-L177 WeakPolarHBondContact O-CB 2.98Å; A174-L177 PolarHBondContact O-N 3.16Å; A174-Q178 PolarHBondContact O-N 2.92Å |
| 175 | R | 92.9 | Very high | 90.7 | Very high | 132 Ų | 132 | 40.9 Ų | 40.9 | 50% | 0.498 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65 | -37.4 | 174.6 | -70.9 | -178.3 | -166.5 | 117.7 | 4.7 | 112.5 | F160 R171 T172 A173 Q178 G179 | F160-R175 HydrophobicContact CD1-CG 4.34Å; F160-R175 HydrophobicContact CE1-CG 4.48Å; F160-R175 PolarHBondContact O-NH2 3.09Å; R171-R175 WeakPolarHBondContact O-CG 3.4Å; R171-R175 PolarHBondContact O-N 3.32Å; R171-R175 VanDerWaalsContact O-N 3.08Å; T172-R175 PolarHBondContact O-N 3.22Å; A173-R175 PolarHBondContact O-N 3.08Å; R175-Q178 PolarHBondContact O-N 2.92Å; R175-G179 PolarHBondContact O-N 2.96Å |
| 176 | R | 92.9 | Very high | 90.5 | Very high | 172 Ų | 172 | 43.3 Ų | 43.3 | 65% | 0.649 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -64.6 | -42.7 | 174 | -73.7 | 174.2 | -177.9 | 177.2 | 1.7 | 111.4 | T172 A173 A174 G179 A180 | T172-R176 WeakPolarHBondContact O-CG 3.33Å; T172-R176 PolarHBondContact O-N 3.29Å; A173-R176 WeakPolarHBondContact O-CB 3.44Å; A173-R176 PolarHBondContact O-N 3.23Å; A174-R176 PolarHBondContact O-N 3.01Å; R176-G179 PolarHBondContact O-N 3.24Å; R176-A180 PolarHBondContact O-N 3.23Å |
| 177 | L | 93.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.8 | -48.3 | 175.1 | 175.4 | 63.3 | 0 | 0 | 0 | 111.1 | L126 T127 L130 I152 F155 A173 A174 G179 A180 L181 | L126-L177 HydrophobicContact CB-CD1 3.48Å; L126-L177 VanDerWaalsContact CB-CD1 3.48Å; L126-L177 HydrophobicContact CB-CD2 4.44Å; L126-L177 HydrophobicContact CD1-CD2 4.21Å; T127-L177 WeakPolarHBondContact OG1-CA 3.22Å; L130-L177 HydrophobicContact CD1-CD1 3.68Å; I152-L177 HydrophobicContact CG2-CD1 3.93Å; I152-L177 HydrophobicContact CG2-CD2 4.08Å; I152-L177 HydrophobicContact CG2-CG 4.05Å; F155-L177 HydrophobicContact CD1-CD2 3.88Å; F155-L177 HydrophobicContact CE1-CD2 4.24Å; A173-L177 PolarHBondContact O-N 3.08Å; A174-L177 WeakPolarHBondContact O-CB 2.98Å; A174-L177 PolarHBondContact O-N 3.16Å; L177-G179 VanDerWaalsContact C-N 3.35Å; L177-G179 PolarHBondContact O-N 2.77Å; L177-A180 PolarHBondContact O-N 3.15Å; L177-L181 PolarHBondContact O-N 2.85Å |
| 178 | Q | 92.3 | Very high | 90.1 | Very high | 24 Ų | 24 | 50.3 Ų | 50.3 | 11% | 0.112 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.1 | -45 | 176 | -170.3 | -176.6 | 30 | 0 | 0 | 111.7 | F160 A174 R175 A180 L181 L182 S190 | F160-Q178 HydrophobicContact CE1-CB 4.19Å; F160-Q178 VanDerWaalsContact CE2-OE1 3.23Å; F160-Q178 HydrophobicContact CZ-CB 3.74Å; F160-Q178 HydrophobicContact CZ-CG 3.91Å; A174-Q178 PolarHBondContact O-N 2.92Å; R175-Q178 PolarHBondContact O-N 2.92Å; Q178-A180 VanDerWaalsContact C-N 3.29Å; Q178-A180 PolarHBondContact O-N 3.39Å; Q178-L181 WeakPolarHBondContact O-CB 3.27Å; Q178-L181 PolarHBondContact O-N 3.23Å; Q178-L181 VanDerWaalsContact O-N 3.17Å; Q178-L182 WeakPolarHBondContact O-CG 3.36Å; Q178-L182 PolarHBondContact O-N 3.49Å; Q178-S190 PolarHBondContact NE2-OG 3.34Å |
| 179 | G | 91.8 | Very high | 89.8 | Confident | 19 Ų | 19 | 50.9 Ų | 50.9 | 20% | 0.196 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61 | -37 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | R175 R176 L177 R183 | R175-G179 PolarHBondContact O-N 2.96Å; R176-G179 PolarHBondContact O-N 3.24Å; L177-G179 VanDerWaalsContact C-N 3.35Å; L177-G179 PolarHBondContact O-N 2.77Å; G179-R183 WeakPolarHBondContact O-CG 3.41Å; G179-R183 PolarHBondContact O-N 3.45Å; G179-R183 VanDerWaalsContact O-N 3.1Å; G179-R183 PolarHBondContact O-NH1 2.97Å; G179-R183 VanDerWaalsContact O-NH1 3.15Å |
| 180 | A | 90.9 | Very high | 89.6 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 2% | 0.017 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.5 | -38.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T127 L130 R176 L177 Q178 R183 A184 | T127-A180 HydrophobicContact CG2-CB 3.89Å; L130-A180 HydrophobicContact CB-CB 4.13Å; L130-A180 HydrophobicContact CD1-CB 4.22Å; R176-A180 PolarHBondContact O-N 3.23Å; L177-A180 PolarHBondContact O-N 3.15Å; Q178-A180 VanDerWaalsContact C-N 3.29Å; Q178-A180 PolarHBondContact O-N 3.39Å; A180-R183 PolarHBondContact O-N 3.11Å; A180-A184 VanDerWaalsContact O-CB 3.29Å; A180-A184 WeakPolarHBondContact O-CB 3.36Å; A180-A184 PolarHBondContact O-N 3.3Å |
| 181 | L | 91.1 | Very high | 89.2 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.8 | -47.2 | 174.6 | -176.4 | 64 | 0 | 0 | 0 | 110.9 | L130 L145 A149 I152 L177 Q178 R183 A184 G185 W187 L193 | L130-L181 HydrophobicContact CD1-CB 4.01Å; L130-L181 HydrophobicContact CD1-CD1 4.31Å; L130-L181 HydrophobicContact CD2-CD1 3.96Å; L145-L181 HydrophobicContact CD1-CD1 4.18Å; A149-L181 HydrophobicContact CB-CD1 3.9Å; I152-L181 HydrophobicContact CG2-CD2 4.3Å; L177-L181 PolarHBondContact O-N 2.85Å; Q178-L181 WeakPolarHBondContact O-CB 3.27Å; Q178-L181 PolarHBondContact O-N 3.23Å; Q178-L181 VanDerWaalsContact O-N 3.17Å; L181-R183 VanDerWaalsContact C-N 3.35Å; L181-R183 PolarHBondContact O-N 3.08Å; L181-A184 PolarHBondContact O-N 3.17Å; L181-G185 PolarHBondContact O-N 3.46Å; L181-W187 HydrophobicContact CD1-CZ3 4.22Å; L181-W187 HydrophobicContact CG-CZ3 4.25Å; L181-W187 VanDerWaalsContact O-CE3 3.26Å; L181-W187 WeakPolarHBondContact O-CZ3 3.29Å; L181-L193 HydrophobicContact CD2-CD2 4Å |
| 182 | L | 90.3 | Very high | 88.7 | Confident | 25 Ų | 25 | 48.1 Ų | 48.1 | 13% | 0.131 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.6 | -45.8 | 176.7 | -68.5 | 177.5 | 0 | 0 | 0 | 111.8 | Q178 G186 W187 D189 L193 | Q178-L182 WeakPolarHBondContact O-CG 3.36Å; Q178-L182 PolarHBondContact O-N 3.49Å; L182-G186 CarbonylContact O-C 3.6Å; L182-G186 PolarHBondContact O-N 3.02Å; L182-W187 HydrophobicContact CD2-CB 3.76Å; L182-W187 PolarHBondContact O-N 3.45Å; L182-D189 WeakPolarHBondContact CD2-O 3.3Å; L182-L193 HydrophobicContact CD2-CB 3.94Å; L182-L193 HydrophobicContact CD2-CD2 4.27Å |
| 183 | R | 89 | Confident | 88.3 | Confident | 138 Ų | 138 | 45.3 Ų | 45.3 | 52% | 0.521 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.1 | -44.6 | 176.6 | -72.4 | -169.7 | -57.6 | -81.3 | 0 | 112.8 | E134 G179 A180 L181 G185 G186 | E134-R183 IonicContact OE2-NE 3.31Å; G179-R183 WeakPolarHBondContact O-CG 3.41Å; G179-R183 PolarHBondContact O-N 3.45Å; G179-R183 VanDerWaalsContact O-N 3.1Å; G179-R183 PolarHBondContact O-NH1 2.97Å; G179-R183 VanDerWaalsContact O-NH1 3.15Å; A180-R183 PolarHBondContact O-N 3.11Å; L181-R183 VanDerWaalsContact C-N 3.35Å; L181-R183 PolarHBondContact O-N 3.08Å; R183-G185 VanDerWaalsContact C-N 3.3Å; R183-G185 PolarHBondContact O-N 3.02Å; R183-G186 PolarHBondContact O-N 3.32Å; R183-G186 VanDerWaalsContact O-N 3.16Å |
| 184 | A | 86.3 | Confident | 87.9 | Confident | 17 Ų | 17 | 44.6 Ų | 44.6 | 14% | 0.14 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.3 | -36.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L130 W133 L145 A180 L181 | L130-A184 HydrophobicContact CB-CB 4.35Å; L130-A184 HydrophobicContact CD2-CB 4.13Å; W133-A184 HydrophobicContact CB-CB 4.17Å; L145-A184 HydrophobicContact CD1-CB 4.4Å; L145-A184 VanDerWaalsContact CD2-C 3.45Å; L145-A184 HydrophobicContact CD2-CB 3.94Å; L145-A184 WeakPolarHBondContact CD2-O 3.45Å; A180-A184 VanDerWaalsContact O-CB 3.29Å; A180-A184 WeakPolarHBondContact O-CB 3.36Å; A180-A184 PolarHBondContact O-N 3.3Å; L181-A184 PolarHBondContact O-N 3.17Å |
| 185 | G | 82.3 | Confident | 87 | Confident | 17 Ų | 17 | 45.6 Ų | 45.6 | 18% | 0.175 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -99.1 | 1.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | L145 L181 R183 | L145-G185 VanDerWaalsContact CD2-CA 3.47Å; L181-G185 PolarHBondContact O-N 3.46Å; R183-G185 VanDerWaalsContact C-N 3.3Å; R183-G185 PolarHBondContact O-N 3.02Å |
| 186 | G | 83.9 | Confident | 85.9 | Confident | 58 Ų | 58 | 40 Ų | 40 | 60% | 0.598 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | 30.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L182 R183 | L182-G186 CarbonylContact O-C 3.6Å; L182-G186 PolarHBondContact O-N 3.02Å; R183-G186 PolarHBondContact O-N 3.32Å; R183-G186 VanDerWaalsContact O-N 3.16Å |
| 187 | W | 86.4 | Confident | 84.4 | Confident | 17 Ų | 17 | 38.7 Ų | 38.7 | 6% | 0.064 | 21% | 0.206 | C | C | . | . | trans | -89.6 | 142.2 | 177.4 | -56.9 | -79.2 | 0 | 0 | 0 | 111.6 | L145 L146 A149 L181 L182 H192 L193 R201 I203 | L145-W187 HydrophobicContact CD2-CH2 3.9Å; L145-W187 HydrophobicContact CD2-CZ3 4.01Å; L145-W187 HydrophobicContact CG-CH2 4.14Å; L146-W187 HydrophobicContact CD2-CZ2 3.88Å; A149-W187 HydrophobicContact CB-CH2 4.44Å; L181-W187 HydrophobicContact CD1-CZ3 4.22Å; L181-W187 HydrophobicContact CG-CZ3 4.25Å; L181-W187 VanDerWaalsContact O-CE3 3.26Å; L181-W187 WeakPolarHBondContact O-CZ3 3.29Å; L182-W187 HydrophobicContact CD2-CB 3.76Å; L182-W187 PolarHBondContact O-N 3.45Å; W187-H192 WeakPolarHBondContact CA-ND1 3.36Å; W187-H192 AromaticContact CD1-CE1 3.88Å; W187-H192 AromaticContact CD1-ND1 3.63Å; W187-L193 HydrophobicContact CB-CB 4.26Å; W187-L193 HydrophobicContact CD2-CB 4.39Å; W187-L193 HydrophobicContact CD2-CD1 3.37Å; W187-L193 HydrophobicContact CD2-CG 4.49Å; W187-L193 HydrophobicContact CE3-CD1 3.36Å; W187-L193 HydrophobicContact CG-CB 4.15Å; W187-L193 HydrophobicContact CG-CD1 4.02Å; W187-L193 HydrophobicContact CH2-CD1 3.63Å; W187-L193 HydrophobicContact CZ2-CD1 3.67Å; W187-L193 HydrophobicContact CZ3-CD1 3.45Å; W187-L193 VanDerWaalsContact CZ3-CD1 3.45Å; W187-R201 PolarHBondContact NE1-O 3.48Å; W187-I203 HydrophobicContact CZ2-CG2 4.32Å | ||
| 188 | R | 84.8 | Confident | 82.6 | Confident | 185 Ų | 185 | 40.6 Ų | 40.6 | 70% | 0.698 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -75.4 | -43.8 | -178.8 | -62.7 | -175.1 | -171.1 | 144.5 | 18.3 | 112.6 | H192 E197 | R188-H192 PolarHBondContact N-ND1 2.9Å; R188-E197 IonicContact CZ-OE1 2.73Å; R188-E197 IonicContact NH1-OE1 3.36Å; R188-E197 PolarHBondContact NH1-OE1 3.12Å; R188-E197 IonicContact NH2-OE1 2.84Å; R188-E197 PolarHBondContact NH2-OE1 2.99Å; R188-E197 IonicContact NH2-OE2 3.41Å; R188-E197 PolarHBondContact NH2-OE2 2.87Å |
| 189 | D | 85.9 | Confident | 80.9 | Confident | 78 Ų | 78 | 46.6 Ų | 46.6 | 42% | 0.417 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -151.2 | 177.9 | -176.9 | 55.7 | 28.6 | 0 | 0 | 0 | 111.4 | L182 A191 H192 L193 | L182-D189 WeakPolarHBondContact CD2-O 3.3Å; D189-A191 VanDerWaalsContact C-N 3.26Å; D189-A191 PolarHBondContact O-N 3.47Å; D189-A191 PolarHBondContact OD1-N 3.24Å; D189-H192 PolarHBondContact O-N 3.46Å; D189-H192 WeakPolarHBondContact OD1-CB 3.36Å; D189-H192 PolarHBondContact OD1-N 3.36Å; D189-L193 PolarHBondContact O-N 3.32Å |
| 190 | S | 85.3 | Confident | 79.3 | Confident | 13 Ų | 13 | 52.8 Ų | 52.8 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.2 | -32.9 | 179.2 | -44.1 | 0 | 0 | 0 | 0 | 112.7 | Q178 L194 | Q178-S190 PolarHBondContact NE2-OG 3.34Å; S190-L194 WeakPolarHBondContact O-CG 3.48Å; S190-L194 PolarHBondContact O-N 2.97Å; S190-L194 VanDerWaalsContact O-N 3.17Å |
| 191 | A | 82.8 | Confident | 78.1 | Confident | 9 Ų | 9 | 60.1 Ų | 60.1 | 7% | 0.074 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.9 | -51.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | D189 L193 L194 T195 Q236 E238 | D189-A191 VanDerWaalsContact C-N 3.26Å; D189-A191 PolarHBondContact O-N 3.47Å; D189-A191 PolarHBondContact OD1-N 3.24Å; A191-L193 VanDerWaalsContact C-N 3.29Å; A191-L193 PolarHBondContact O-N 3.27Å; A191-L194 PolarHBondContact O-N 3.32Å; A191-L194 VanDerWaalsContact O-N 3.07Å; A191-T195 PolarHBondContact O-N 2.84Å; A191-T195 PolarHBondContact O-OG1 3.05Å; A191-Q236 WeakPolarHBondContact CA-O 3.43Å; A191-Q236 WeakPolarHBondContact CB-O 3.38Å; A191-E238 HydrophobicContact CB-CG 4.11Å |
| 192 | H | 83.3 | Confident | 77.5 | Confident | 29 Ų | 29 | 61.4 Ų | 61.4 | 13% | 0.134 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.4 | -32.3 | 176.9 | -176.2 | -117.5 | 0 | 0 | 0 | 113.2 | W187 R188 D189 G196 E197 | W187-H192 WeakPolarHBondContact CA-ND1 3.36Å; W187-H192 AromaticContact CD1-CE1 3.88Å; W187-H192 AromaticContact CD1-ND1 3.63Å; R188-H192 PolarHBondContact N-ND1 2.9Å; D189-H192 PolarHBondContact O-N 3.46Å; D189-H192 WeakPolarHBondContact OD1-CB 3.36Å; D189-H192 PolarHBondContact OD1-N 3.36Å; H192-G196 VanDerWaalsContact O-CA 3.24Å; H192-G196 WeakPolarHBondContact O-CA 3.38Å; H192-G196 PolarHBondContact O-N 2.82Å; H192-E197 WeakPolarHBondContact NE2-CG 3.33Å; H192-E197 PolarHBondContact NE2-N 3.45Å |
| 193 | L | 85.3 | Confident | 77.2 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 171.2 | 172.6 | 68.4 | 0 | 0 | 0 | 111.7 | Y153 L181 L182 W187 D189 A191 I203 | Y153-L193 HydrophobicContact CD2-CD2 3.65Å; Y153-L193 HydrophobicContact CE2-CD2 4.2Å; Y153-L193 HydrophobicContact CG-CD2 4.34Å; L181-L193 HydrophobicContact CD2-CD2 4Å; L182-L193 HydrophobicContact CD2-CB 3.94Å; L182-L193 HydrophobicContact CD2-CD2 4.27Å; W187-L193 HydrophobicContact CB-CB 4.26Å; W187-L193 HydrophobicContact CD2-CB 4.39Å; W187-L193 HydrophobicContact CD2-CD1 3.37Å; W187-L193 HydrophobicContact CD2-CG 4.49Å; W187-L193 HydrophobicContact CE3-CD1 3.36Å; W187-L193 HydrophobicContact CG-CB 4.15Å; W187-L193 HydrophobicContact CG-CD1 4.02Å; W187-L193 HydrophobicContact CH2-CD1 3.63Å; W187-L193 HydrophobicContact CZ2-CD1 3.67Å; W187-L193 HydrophobicContact CZ3-CD1 3.45Å; W187-L193 VanDerWaalsContact CZ3-CD1 3.45Å; D189-L193 PolarHBondContact O-N 3.32Å; A191-L193 VanDerWaalsContact C-N 3.29Å; A191-L193 PolarHBondContact O-N 3.27Å; L193-I203 HydrophobicContact CD1-CD1 3.78Å; L193-I203 HydrophobicContact CD1-CG1 4.08Å; L193-I203 HydrophobicContact CD1-CG2 4.21Å; L193-I203 HydrophobicContact CD2-CD1 3.78Å; L193-I203 HydrophobicContact CG-CD1 3.58Å; L193-I203 HydrophobicContact CG-CG1 3.91Å; L193-I203 PolarHBondContact O-N 2.96Å |
| 194 | L | 82.1 | Confident | 76.9 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -73.8 | -42.3 | -179 | -67.8 | 173.3 | 0 | 0 | 0 | 111.7 | Y153 S190 A191 C202 I203 L204 V207 T233 Q236 Q241 | Y153-L194 HydrophobicContact CD1-CD2 4.46Å; Y153-L194 HydrophobicContact CE1-CD2 3.96Å; S190-L194 WeakPolarHBondContact O-CG 3.48Å; S190-L194 PolarHBondContact O-N 2.97Å; S190-L194 VanDerWaalsContact O-N 3.17Å; A191-L194 PolarHBondContact O-N 3.32Å; A191-L194 VanDerWaalsContact O-N 3.07Å; L194-C202 VanDerWaalsContact O-CB 3.25Å; L194-C202 WeakPolarHBondContact O-CB 3.25Å; L194-I203 HydrophobicContact CD2-CD1 4.36Å; L194-I203 HydrophobicContact CD2-CG1 4.07Å; L194-L204 HydrophobicContact CD2-CD1 4.36Å; L194-L204 VanDerWaalsContact O-CB 3.3Å; L194-L204 WeakPolarHBondContact O-CB 3.3Å; L194-V207 HydrophobicContact CD2-CG2 4.4Å; L194-T233 HydrophobicContact CD1-CG2 4.05Å; L194-T233 HydrophobicContact CD2-CG2 4.11Å; L194-Q236 HydrophobicContact CD1-CB 3.58Å; L194-Q241 PolarHBondContact O-OE1 3.21Å |
| 195 | T | 73.1 | Confident | 76.6 | Confident | 21 Ų | 21 | 57.5 Ų | 57.5 | 13% | 0.129 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -97.9 | -26.7 | -169.8 | 64.4 | 0 | 0 | 0 | 0 | 115.2 | A191 E238 Q241 | A191-T195 PolarHBondContact O-N 2.84Å; A191-T195 PolarHBondContact O-OG1 3.05Å; T195-E238 HydrophobicContact CG2-CB 4.09Å; T195-Q241 VanDerWaalsContact CA-OE1 3.29Å; T195-Q241 PolarHBondContact O-NE2 2.9Å |
| 196 | G | 69.8 | Low | 76.6 | Confident | 15 Ų | 15 | 57.8 Ų | 57.8 | 16% | 0.155 | 31% | 0.314 | C | S | . | . | trans | 63 | 163.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | H192 | H192-G196 VanDerWaalsContact O-CA 3.24Å; H192-G196 WeakPolarHBondContact O-CA 3.38Å; H192-G196 PolarHBondContact O-N 2.82Å | ||
| 197 | E | 61.2 | Low | 76.8 | Confident | 144 Ų | 144 | 55 Ų | 55 | 67% | 0.673 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -82.8 | 7 | 165.3 | -87.9 | 176.9 | 173.4 | 0 | 0 | 112.1 | R188 H192 | R188-E197 IonicContact CZ-OE1 2.73Å; R188-E197 IonicContact NH1-OE1 3.36Å; R188-E197 PolarHBondContact NH1-OE1 3.12Å; R188-E197 IonicContact NH2-OE1 2.84Å; R188-E197 PolarHBondContact NH2-OE1 2.99Å; R188-E197 IonicContact NH2-OE2 3.41Å; R188-E197 PolarHBondContact NH2-OE2 2.87Å; H192-E197 WeakPolarHBondContact NE2-CG 3.33Å; H192-E197 PolarHBondContact NE2-N 3.45Å |
| 198 | G | 57.1 | Low | 76.5 | Confident | 41 Ų | 41 | 54.9 Ų | 54.9 | 42% | 0.423 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 179.1 | 179.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D200 | G198-D200 VanDerWaalsContact C-N 3.27Å; G198-D200 PolarHBondContact O-N 3.17Å |
| 199 | D | 55.6 | Low | 76.4 | Confident | 149 Ų | 149 | 51.5 Ų | 51.5 | 80% | 0.797 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -13.8 | -172.9 | -78.6 | -14.8 | 0 | 0 | 0 | 115 | ||
| 200 | D | 58.1 | Low | 76.3 | Confident | 149 Ų | 149 | 50.4 Ų | 50.4 | 80% | 0.797 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -5.7 | -166.8 | -73.3 | -25 | 0 | 0 | 0 | 115.6 | G198 | G198-D200 VanDerWaalsContact C-N 3.27Å; G198-D200 PolarHBondContact O-N 3.17Å |
| 201 | R | 67.1 | Low | 76.2 | Confident | 157 Ų | 157 | 49.8 Ų | 49.8 | 59% | 0.592 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -144.6 | 37.7 | -175.2 | -55.7 | -169.7 | -158.9 | -171 | 8.1 | 115.3 | W187 | W187-R201 PolarHBondContact NE1-O 3.48Š|
| 202 | C | 77.4 | Confident | 76.1 | Confident | 27 Ų | 27 | 52.9 Ų | 52.9 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | trans | -101.4 | 144.4 | 173.3 | 57.5 | 0 | 0 | 0 | 0 | 111.6 | L194 | L194-C202 VanDerWaalsContact O-CB 3.25Å; L194-C202 WeakPolarHBondContact O-CB 3.25Å | ||
| 203 | I | 84.8 | Confident | 76 | Confident | 4 Ų | 4 | 55.8 Ų | 55.8 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | trans | -102 | -1.1 | 176.3 | 68.8 | 162.4 | 0 | 0 | 0 | 113.2 | L146 A149 P150 Y153 W187 L193 L194 D205 G206 V207 | L146-I203 HydrophobicContact CD2-CG2 3.89Å; A149-I203 HydrophobicContact CB-CD1 4.41Å; A149-I203 HydrophobicContact CB-CG2 3.79Å; P150-I203 HydrophobicContact CG-CB 4.22Å; Y153-I203 HydrophobicContact CD1-CD1 4.42Å; Y153-I203 HydrophobicContact CG-CD1 4.07Å; W187-I203 HydrophobicContact CZ2-CG2 4.32Å; L193-I203 HydrophobicContact CD1-CD1 3.78Å; L193-I203 HydrophobicContact CD1-CG1 4.08Å; L193-I203 HydrophobicContact CD1-CG2 4.21Å; L193-I203 HydrophobicContact CD2-CD1 3.78Å; L193-I203 HydrophobicContact CG-CD1 3.58Å; L193-I203 HydrophobicContact CG-CG1 3.91Å; L193-I203 PolarHBondContact O-N 2.96Å; L194-I203 HydrophobicContact CD2-CD1 4.36Å; L194-I203 HydrophobicContact CD2-CG1 4.07Å; I203-D205 PolarHBondContact O-N 3.11Å; I203-G206 PolarHBondContact O-N 3.49Å; I203-V207 HydrophobicContact CD1-CG2 4.01Å; I203-V207 HydrophobicContact CG1-CG2 4.2Å; I203-V207 WeakPolarHBondContact O-CG2 3.44Å; I203-V207 PolarHBondContact O-N 3.06Å | ||
| 204 | L | 83.1 | Confident | 75.7 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.7 | -44.6 | -170.7 | 179.1 | 64.5 | 0 | 0 | 0 | 112.7 | L194 G206 V207 L208 T233 Q241 L245 | L194-L204 HydrophobicContact CD2-CD1 4.36Å; L194-L204 VanDerWaalsContact O-CB 3.3Å; L194-L204 WeakPolarHBondContact O-CB 3.3Å; L204-G206 PolarHBondContact O-N 2.89Å; L204-V207 WeakPolarHBondContact O-CB 3.47Å; L204-V207 PolarHBondContact O-N 3.46Å; L204-V207 VanDerWaalsContact O-N 3.12Å; L204-L208 HydrophobicContact CD1-CD1 4.2Å; L204-L208 HydrophobicContact CD1-CG 4.23Å; L204-L208 HydrophobicContact CG-CD1 3.97Å; L204-L208 HydrophobicContact CG-CG 4.42Å; L204-L208 WeakPolarHBondContact O-CG 3.47Å; L204-L208 PolarHBondContact O-N 3.47Å; L204-T233 HydrophobicContact CD1-CG2 4.14Å; L204-Q241 HydrophobicContact CD2-CB 3.55Å; L204-Q241 HydrophobicContact CD2-CG 4.35Å; L204-L245 HydrophobicContact CD1-CD1 4.28Å; L204-L245 HydrophobicContact CD2-CD1 4.2Å |
| 205 | D | 79.6 | Confident | 75.3 | Confident | 93 Ų | 93 | 60.1 Ų | 60.1 | 50% | 0.497 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 179.8 | -64.9 | -26.1 | 0 | 0 | 0 | 110.9 | I203 V207 L208 D209 | I203-D205 PolarHBondContact O-N 3.11Å; D205-V207 VanDerWaalsContact C-N 3.29Å; D205-V207 PolarHBondContact O-N 3.21Å; D205-L208 PolarHBondContact O-N 2.87Å; D205-D209 VanDerWaalsContact O-CG 3.27Å; D205-D209 PolarHBondContact O-N 2.85Å |
| 206 | G | 82.9 | Confident | 75.3 | Confident | 24 Ų | 24 | 62.7 Ų | 62.7 | 25% | 0.247 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.4 | -30.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | I203 L204 I210 | I203-G206 PolarHBondContact O-N 3.49Å; L204-G206 PolarHBondContact O-N 2.89Å; G206-I210 WeakPolarHBondContact O-CD1 3.28Å; G206-I210 WeakPolarHBondContact O-CG1 3.43Å; G206-I210 PolarHBondContact O-N 3.47Å |
| 207 | V | 86.1 | Confident | 75.3 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -69.2 | -38.9 | 172.5 | 170.8 | 0 | 0 | 0 | 0 | 110.5 | P150 Y153 L154 L194 I203 L204 D205 I210 L211 T233 | P150-V207 HydrophobicContact CB-CG2 3.78Å; Y153-V207 HydrophobicContact CD1-CG2 3.88Å; Y153-V207 HydrophobicContact CE1-CG1 4.5Å; Y153-V207 HydrophobicContact CE1-CG2 4.45Å; L154-V207 HydrophobicContact CD1-CG1 4.32Å; L154-V207 HydrophobicContact CD2-CG1 3.87Å; L154-V207 HydrophobicContact CG-CG1 4.16Å; L194-V207 HydrophobicContact CD2-CG2 4.4Å; I203-V207 HydrophobicContact CD1-CG2 4.01Å; I203-V207 HydrophobicContact CG1-CG2 4.2Å; I203-V207 WeakPolarHBondContact O-CG2 3.44Å; I203-V207 PolarHBondContact O-N 3.06Å; L204-V207 WeakPolarHBondContact O-CB 3.47Å; L204-V207 PolarHBondContact O-N 3.46Å; L204-V207 VanDerWaalsContact O-N 3.12Å; D205-V207 VanDerWaalsContact C-N 3.29Å; D205-V207 PolarHBondContact O-N 3.21Å; V207-I210 PolarHBondContact O-N 3.35Å; V207-L211 HydrophobicContact CG1-CD1 3.8Å; V207-L211 HydrophobicContact CG1-CG 4.3Å; V207-L211 WeakPolarHBondContact O-CB 3.37Å; V207-L211 WeakPolarHBondContact O-CG 3.39Å; V207-L211 PolarHBondContact O-N 3Å; V207-T233 HydrophobicContact CG1-CG2 3.92Å |
| 208 | L | 81.3 | Confident | 75.7 | Confident | 14 Ų | 14 | 67.4 Ų | 67.4 | 7% | 0.073 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -72.7 | -37.4 | 179 | -67.1 | 170.1 | 0 | 0 | 0 | 113.2 | L204 D205 I210 L211 Q212 L245 | L204-L208 HydrophobicContact CD1-CD1 4.2Å; L204-L208 HydrophobicContact CD1-CG 4.23Å; L204-L208 HydrophobicContact CG-CD1 3.97Å; L204-L208 HydrophobicContact CG-CG 4.42Å; L204-L208 WeakPolarHBondContact O-CG 3.47Å; L204-L208 PolarHBondContact O-N 3.47Å; D205-L208 PolarHBondContact O-N 2.87Å; L208-I210 PolarHBondContact O-N 3.45Å; L208-L211 PolarHBondContact O-N 3.47Å; L208-L211 VanDerWaalsContact O-N 3.14Å; L208-Q212 HydrophobicContact CB-CG 4.46Å; L208-Q212 VanDerWaalsContact O-CB 3.26Å; L208-Q212 WeakPolarHBondContact O-CB 3.09Å; L208-Q212 WeakPolarHBondContact O-CG 3.3Å; L208-Q212 PolarHBondContact O-N 3.38Å; L208-L245 HydrophobicContact CD1-CD2 3.31Å; L208-L245 HydrophobicContact CD1-CG 4.09Å; L208-L245 HydrophobicContact CD2-CD2 3.13Å; L208-L245 HydrophobicContact CG-CD2 3.76Å |
| 209 | D | 83.2 | Confident | 76.4 | Confident | 113 Ų | 113 | 67 Ų | 67 | 60% | 0.604 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -57.6 | -31.4 | 173.2 | -69.9 | -23.4 | 0 | 0 | 0 | 111.5 | D205 P213 | D205-D209 VanDerWaalsContact O-CG 3.27Å; D205-D209 PolarHBondContact O-N 2.85Å; D209-P213 WeakPolarHBondContact O-CD 3.19Å; D209-P213 VanDerWaalsContact O-CG 3.27Å; D209-P213 WeakPolarHBondContact O-CG 3.45Å |
| 210 | I | 83.8 | Confident | 77.2 | Confident | 55 Ų | 55 | 60.2 Ų | 60.2 | 28% | 0.282 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -80.9 | -43.7 | 175.2 | -63.1 | 167.3 | 0 | 0 | 0 | 111.6 | P150 P151 L154 G206 V207 L208 Q214 | P150-I210 HydrophobicContact CB-CD1 3.8Å; P151-I210 HydrophobicContact CB-CD1 4.25Å; L154-I210 HydrophobicContact CD1-CB 3.88Å; L154-I210 HydrophobicContact CD1-CD1 4.17Å; L154-I210 HydrophobicContact CD1-CG2 3.55Å; G206-I210 WeakPolarHBondContact O-CD1 3.28Å; G206-I210 WeakPolarHBondContact O-CG1 3.43Å; G206-I210 PolarHBondContact O-N 3.47Å; V207-I210 PolarHBondContact O-N 3.35Å; L208-I210 PolarHBondContact O-N 3.45Å; I210-Q214 PolarHBondContact O-NE2 3.4Å |
| 211 | L | 82.6 | Confident | 77.8 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -76.3 | -49.1 | -174.2 | -72.7 | 178.8 | 0 | 0 | 0 | 112.9 | L154 V207 L208 Q214 L215 L226 Q229 | L154-L211 HydrophobicContact CD1-CD2 4.21Å; L154-L211 HydrophobicContact CD1-CG 4.18Å; L154-L211 HydrophobicContact CD2-CD1 4.01Å; L154-L211 HydrophobicContact CD2-CD2 3.9Å; L154-L211 HydrophobicContact CD2-CG 4.03Å; V207-L211 HydrophobicContact CG1-CD1 3.8Å; V207-L211 HydrophobicContact CG1-CG 4.3Å; V207-L211 WeakPolarHBondContact O-CB 3.37Å; V207-L211 WeakPolarHBondContact O-CG 3.39Å; V207-L211 PolarHBondContact O-N 3Å; L208-L211 PolarHBondContact O-N 3.47Å; L208-L211 VanDerWaalsContact O-N 3.14Å; L211-Q214 CarbonylContact O-C 3.39Å; L211-Q214 WeakPolarHBondContact O-CA 3.5Å; L211-Q214 WeakPolarHBondContact O-CB 3.41Å; L211-Q214 PolarHBondContact O-N 3.28Å; L211-L215 WeakPolarHBondContact O-CG 3.11Å; L211-L215 PolarHBondContact O-N 3.17Å; L211-L226 HydrophobicContact CD2-CD1 3.74Å; L211-Q229 HydrophobicContact CD2-CB 4.09Å |
| 212 | Q | 80.4 | Confident | 78 | Confident | 74 Ų | 74 | 55.8 Ų | 55.8 | 35% | 0.346 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -49.7 | -49.1 | -175.5 | -78.2 | -178.8 | -29.7 | 0 | 0 | 114.8 | L208 Q214 L215 E248 | L208-Q212 HydrophobicContact CB-CG 4.46Å; L208-Q212 VanDerWaalsContact O-CB 3.26Å; L208-Q212 WeakPolarHBondContact O-CB 3.09Å; L208-Q212 WeakPolarHBondContact O-CG 3.3Å; L208-Q212 PolarHBondContact O-N 3.38Å; Q212-Q214 PolarHBondContact O-N 2.97Å; Q212-L215 PolarHBondContact O-N 2.95Å; Q212-E248 PolarHBondContact NE2-OE2 2.85Å |
| 213 | P | 81.4 | Confident | 77.8 | Confident | 90 Ų | 90 | 56.4 Ų | 56.4 | 58% | 0.584 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -65.6 | -22.7 | 179.1 | 26.1 | -35.1 | 0 | 0 | 0 | 112.7 | D209 | D209-P213 WeakPolarHBondContact O-CD 3.19Å; D209-P213 VanDerWaalsContact O-CG 3.27Å; D209-P213 WeakPolarHBondContact O-CG 3.45Å |
| 214 | Q | 78.4 | Confident | 77.3 | Confident | 83 Ų | 83 | 58.3 Ų | 58.3 | 39% | 0.388 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -87.8 | -5.5 | 176.2 | -59.8 | -179.5 | 57.1 | 0 | 0 | 112.7 | I210 L211 Q212 T216 S219 L226 | I210-Q214 PolarHBondContact O-NE2 3.4Å; L211-Q214 CarbonylContact O-C 3.39Å; L211-Q214 WeakPolarHBondContact O-CA 3.5Å; L211-Q214 WeakPolarHBondContact O-CB 3.41Å; L211-Q214 PolarHBondContact O-N 3.28Å; Q212-Q214 PolarHBondContact O-N 2.97Å; Q214-T216 PolarHBondContact O-N 3.34Å; Q214-S219 VanDerWaalsContact O-CB 3.32Å; Q214-S219 WeakPolarHBondContact O-CB 3.27Å; Q214-S219 PolarHBondContact O-OG 2.69Å; Q214-L226 HydrophobicContact CB-CD1 4Å; Q214-L226 HydrophobicContact CB-CD2 4.25Å; Q214-L226 WeakPolarHBondContact O-CD2 3.31Å |
| 215 | L | 73.8 | Confident | 77.2 | Confident | 8 Ų | 8 | 58.5 Ų | 58.5 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | trans | -82.4 | 41.8 | 178.2 | -64.6 | 176.3 | 0 | 0 | 0 | 112.5 | L211 Q212 W220 L226 F230 Y252 | L211-L215 WeakPolarHBondContact O-CG 3.11Å; L211-L215 PolarHBondContact O-N 3.17Å; Q212-L215 PolarHBondContact O-N 2.95Å; L215-W220 HydrophobicContact CD2-CE3 3.55Å; L215-W220 HydrophobicContact CD2-CH2 4.47Å; L215-W220 HydrophobicContact CD2-CZ3 3.29Å; L215-L226 HydrophobicContact CD2-CD1 4.28Å; L215-L226 HydrophobicContact CD2-CD2 4.2Å; L215-L226 HydrophobicContact CD2-CG 4.2Å; L215-F230 HydrophobicContact CD1-CD2 4.01Å; L215-F230 HydrophobicContact CD1-CE2 4Å; L215-F230 HydrophobicContact CD2-CD2 4.19Å; L215-F230 HydrophobicContact CD2-CG 4.43Å; L215-Y252 HydrophobicContact CB-CE1 4.32Å; L215-Y252 HydrophobicContact CB-CE2 4.37Å; L215-Y252 HydrophobicContact CD1-CD2 4.16Å; L215-Y252 HydrophobicContact CD1-CE2 4.21Å; L215-Y252 WeakPolarHBondContact O-CE1 3.26Å | ||
| 216 | T | 74.2 | Confident | 77.3 | Confident | 75 Ų | 75 | 54.1 Ų | 54.1 | 46% | 0.46 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -86.1 | 159.2 | 174.4 | 72.7 | 0 | 0 | 0 | 0 | 111 | Q214 E218 S219 W220 | Q214-T216 PolarHBondContact O-N 3.34Å; T216-E218 PolarHBondContact O-N 3.07Å; T216-S219 WeakPolarHBondContact CA-OG 3.38Å; T216-S219 PolarHBondContact N-OG 3.14Å; T216-S219 VanDerWaalsContact N-OG 3.07Å; T216-S219 PolarHBondContact O-N 3.35Å; T216-S219 PolarHBondContact O-OG 2.99Å; T216-S219 PolarHBondContact OG1-N 3.03Å; T216-S219 PolarHBondContact OG1-OG 2.9Å; T216-W220 WeakPolarHBondContact O-CB 3.16Å; T216-W220 PolarHBondContact O-N 3.35Å |
| 217 | R | 69.2 | Low | 77.2 | Confident | 137 Ų | 137 | 53.9 Ų | 53.9 | 52% | 0.517 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -56.3 | -37.5 | 179.4 | -176.1 | 175.8 | 177.7 | -172.8 | 0.5 | 112.6 | R221 | R217-R221 WeakPolarHBondContact O-CG 3.05Å; R217-R221 PolarHBondContact O-N 3.11Å |
| 218 | E | 70.4 | Confident | 77.1 | Confident | 121 Ų | 121 | 54.8 Ų | 54.8 | 57% | 0.565 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -76.2 | -49.9 | -176 | -62.9 | -176.6 | -172.2 | 0 | 0 | 111.7 | T216 W220 R221 R222 | T216-E218 PolarHBondContact O-N 3.07Å; E218-W220 PolarHBondContact O-N 2.85Å; E218-R221 PolarHBondContact O-N 3.26Å; E218-R222 WeakPolarHBondContact O-CB 3.01Å; E218-R222 VanDerWaalsContact O-CG 3.25Å; E218-R222 WeakPolarHBondContact O-CG 3.43Å; E218-R222 PolarHBondContact O-N 3.15Å; E218-R222 IonicContact OE2-NH1 3.27Å |
| 219 | S | 71 | Confident | 77.3 | Confident | 31 Ų | 31 | 55.2 Ų | 55.2 | 22% | 0.217 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.9 | -39.1 | 177.6 | 48 | 0 | 0 | 0 | 0 | 112.5 | Q214 T216 R221 R222 C223 | Q214-S219 VanDerWaalsContact O-CB 3.32Å; Q214-S219 WeakPolarHBondContact O-CB 3.27Å; Q214-S219 PolarHBondContact O-OG 2.69Å; T216-S219 WeakPolarHBondContact CA-OG 3.38Å; T216-S219 PolarHBondContact N-OG 3.14Å; T216-S219 VanDerWaalsContact N-OG 3.07Å; T216-S219 PolarHBondContact O-N 3.35Å; T216-S219 PolarHBondContact O-OG 2.99Å; T216-S219 PolarHBondContact OG1-N 3.03Å; T216-S219 PolarHBondContact OG1-OG 2.9Å; S219-R221 VanDerWaalsContact C-N 3.29Å; S219-R221 PolarHBondContact O-N 3.12Å; S219-R222 PolarHBondContact O-N 3.33Å; S219-C223 WeakPolarHBondContact O-CB 3.24Å; S219-C223 PolarHBondContact O-N 3.23Å |
| 220 | W | 72 | Confident | 77.4 | Confident | 7 Ų | 7 | 50.1 Ų | 50.1 | 3% | 0.027 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.1 | -34.2 | 174.7 | -168.9 | -91.1 | 0 | 0 | 0 | 113.5 | L215 T216 E218 L226 K227 F230 R256 L257 | L215-W220 HydrophobicContact CD2-CE3 3.55Å; L215-W220 HydrophobicContact CD2-CH2 4.47Å; L215-W220 HydrophobicContact CD2-CZ3 3.29Å; T216-W220 WeakPolarHBondContact O-CB 3.16Å; T216-W220 PolarHBondContact O-N 3.35Å; E218-W220 PolarHBondContact O-N 2.85Å; W220-L226 HydrophobicContact CE3-CD2 3.78Å; W220-L226 HydrophobicContact CE3-CG 3.97Å; W220-L226 HydrophobicContact CZ3-CD2 4.38Å; W220-L226 HydrophobicContact CZ3-CG 4.1Å; W220-K227 HydrophobicContact CD2-CG 4.19Å; W220-K227 HydrophobicContact CH2-CB 4.27Å; W220-K227 HydrophobicContact CH2-CG 4.25Å; W220-K227 HydrophobicContact CZ2-CB 4.06Å; W220-K227 HydrophobicContact CZ2-CD 4.4Å; W220-K227 HydrophobicContact CZ2-CG 3.75Å; W220-K227 WeakPolarHBondContact O-CE 3.41Å; W220-F230 HydrophobicContact CH2-CB 4.06Å; W220-F230 AromaticContact CH2-CD1 3.85Å; W220-F230 HydrophobicContact CH2-CD1 3.85Å; W220-F230 HydrophobicContact CH2-CG 4.14Å; W220-F230 HydrophobicContact CZ3-CB 4.04Å; W220-F230 HydrophobicContact CZ3-CD1 4.37Å; W220-F230 HydrophobicContact CZ3-CG 4.24Å; W220-R256 HydrophobicContact CD2-CB 4.49Å; W220-R256 HydrophobicContact CG-CB 4.34Å; W220-R256 PolarHBondContact NE1-O 3.23Å; W220-L257 HydrophobicContact CZ2-CD1 4.1Å; W220-L257 HydrophobicContact CZ2-CD2 3.62Å; W220-L257 HydrophobicContact CZ2-CG 3.65Å |
| 221 | R | 70.9 | Confident | 77.5 | Confident | 127 Ų | 127 | 47.6 Ų | 47.6 | 48% | 0.479 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -75.8 | -39.5 | 175.1 | -75.4 | 176.1 | 172.4 | -157.9 | -7.8 | 111.9 | R217 E218 S219 | R217-R221 WeakPolarHBondContact O-CG 3.05Å; R217-R221 PolarHBondContact O-N 3.11Å; E218-R221 PolarHBondContact O-N 3.26Å; S219-R221 VanDerWaalsContact C-N 3.29Å; S219-R221 PolarHBondContact O-N 3.12Å |
| 222 | R | 70.9 | Confident | 77.7 | Confident | 87 Ų | 87 | 50.5 Ų | 50.5 | 33% | 0.328 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -84 | -22.4 | -172.7 | -67.3 | 179.7 | 177 | 156.2 | 4.4 | 114.3 | V99 C100 E218 S219 | V99-R222 HydrophobicContact CG1-CB 4.11Å; C100-R222 HydrophobicContact CB-CB 4.49Å; C100-R222 VanDerWaalsContact O-CD 3.25Å; C100-R222 WeakPolarHBondContact O-CD 3.45Å; C100-R222 WeakPolarHBondContact O-CG 3.35Å; E218-R222 WeakPolarHBondContact O-CB 3.01Å; E218-R222 VanDerWaalsContact O-CG 3.25Å; E218-R222 WeakPolarHBondContact O-CG 3.43Å; E218-R222 PolarHBondContact O-N 3.15Å; E218-R222 IonicContact OE2-NH1 3.27Å; S219-R222 PolarHBondContact O-N 3.33Å |
| 223 | C | 73.4 | Confident | 77.9 | Confident | 40 Ų | 40 | 47.1 Ų | 47.1 | 27% | 0.27 | 23% | 0.232 | S | C | . | . | trans | -119.2 | 103.6 | -176.4 | -171.8 | 0 | 0 | 0 | 0 | 111.8 | S219 A225 L226 | S219-C223 WeakPolarHBondContact O-CB 3.24Å; S219-C223 PolarHBondContact O-N 3.23Å; C223-A225 VanDerWaalsContact C-N 3.31Å; C223-A225 PolarHBondContact O-N 3Å; C223-L226 HydrophobicContact CB-CB 4.12Å; C223-L226 PolarHBondContact O-N 2.79Å | ||
| 224 | A | 74.6 | Confident | 78 | Confident | 44 Ų | 44 | 43 Ų | 43 | 36% | 0.364 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.4 | -35.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | W165 L226 K227 | W165-A224 HydrophobicContact CH2-CB 3.73Å; W165-A224 HydrophobicContact CZ3-CB 3.76Å; A224-L226 VanDerWaalsContact C-N 3.28Å; A224-L226 PolarHBondContact O-N 3.19Å; A224-K227 PolarHBondContact O-N 3.36Å |
| 225 | A | 80.8 | Confident | 78.3 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 3% | 0.033 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.1 | -33 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L97 T158 W165 C223 K227 L228 Q229 | L97-A225 HydrophobicContact CD1-CB 3.3Å; T158-A225 HydrophobicContact CG2-CB 3.82Å; W165-A225 HydrophobicContact CZ2-CB 4.3Å; C223-A225 VanDerWaalsContact C-N 3.31Å; C223-A225 PolarHBondContact O-N 3Å; A225-K227 VanDerWaalsContact C-N 3.27Å; A225-K227 PolarHBondContact O-N 2.98Å; A225-L228 PolarHBondContact O-N 3.06Å; A225-Q229 WeakPolarHBondContact O-CB 3.33Å; A225-Q229 VanDerWaalsContact O-CG 3.3Å; A225-Q229 WeakPolarHBondContact O-CG 3.35Å; A225-Q229 PolarHBondContact O-N 3.37Å |
| 226 | L | 81.7 | Confident | 78.8 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62 | -37.4 | 179.6 | -176.5 | 66.7 | 0 | 0 | 0 | 111.7 | L211 Q214 L215 W220 C223 A224 Q229 F230 | L211-L226 HydrophobicContact CD2-CD1 3.74Å; Q214-L226 HydrophobicContact CB-CD1 4Å; Q214-L226 HydrophobicContact CB-CD2 4.25Å; Q214-L226 WeakPolarHBondContact O-CD2 3.31Å; L215-L226 HydrophobicContact CD2-CD1 4.28Å; L215-L226 HydrophobicContact CD2-CD2 4.2Å; L215-L226 HydrophobicContact CD2-CG 4.2Å; W220-L226 HydrophobicContact CE3-CD2 3.78Å; W220-L226 HydrophobicContact CE3-CG 3.97Å; W220-L226 HydrophobicContact CZ3-CD2 4.38Å; W220-L226 HydrophobicContact CZ3-CG 4.1Å; C223-L226 HydrophobicContact CB-CB 4.12Å; C223-L226 PolarHBondContact O-N 2.79Å; A224-L226 VanDerWaalsContact C-N 3.28Å; A224-L226 PolarHBondContact O-N 3.19Å; L226-Q229 PolarHBondContact O-N 3.26Å; L226-F230 VanDerWaalsContact O-CB 3.29Å; L226-F230 WeakPolarHBondContact O-CB 3.42Å; L226-F230 PolarHBondContact O-N 3.33Å |
| 227 | K | 81.8 | Confident | 78.8 | Confident | 19 Ų | 19 | 40.2 Ų | 40.2 | 8% | 0.083 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.3 | -43.6 | 177.1 | -52.3 | -170.8 | -175.1 | -178.5 | 0 | 111.3 | W220 A224 A225 S231 D260 N265 | W220-K227 HydrophobicContact CD2-CG 4.19Å; W220-K227 HydrophobicContact CH2-CB 4.27Å; W220-K227 HydrophobicContact CH2-CG 4.25Å; W220-K227 HydrophobicContact CZ2-CB 4.06Å; W220-K227 HydrophobicContact CZ2-CD 4.4Å; W220-K227 HydrophobicContact CZ2-CG 3.75Å; W220-K227 WeakPolarHBondContact O-CE 3.41Å; A224-K227 PolarHBondContact O-N 3.36Å; A225-K227 VanDerWaalsContact C-N 3.27Å; A225-K227 PolarHBondContact O-N 2.98Å; K227-S231 VanDerWaalsContact O-CB 3.26Å; K227-S231 WeakPolarHBondContact O-CB 3.33Å; K227-S231 PolarHBondContact O-N 2.85Å; K227-S231 PolarHBondContact O-OG 3.45Å; K227-D260 IonicContact NZ-OD2 2.81Å; K227-D260 PolarHBondContact NZ-OD2 3Å; K227-N265 PolarHBondContact NZ-ND2 3.04Å |
| 228 | L | 83.3 | Confident | 78.8 | Confident | 19 Ų | 19 | 39 Ų | 39 | 10% | 0.099 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.6 | -46.3 | 178.4 | -69.1 | 164.4 | 0 | 0 | 0 | 111.6 | E163 W165 A225 F230 S231 W232 | E163-L228 HydrophobicContact CG-CD1 3.73Å; W165-L228 HydrophobicContact CH2-CD1 3.66Å; W165-L228 HydrophobicContact CZ2-CD1 3.52Å; A225-L228 PolarHBondContact O-N 3.06Å; L228-F230 PolarHBondContact O-N 2.9Å; L228-S231 WeakPolarHBondContact CA-OG 3.47Å; L228-S231 PolarHBondContact O-OG 2.68Å; L228-S231 VanDerWaalsContact O-OG 3.06Å; L228-W232 WeakPolarHBondContact O-CB 3.26Å; L228-W232 PolarHBondContact O-N 3.41Å |
| 229 | Q | 86 | Confident | 78.2 | Confident | 24 Ų | 24 | 34.2 Ų | 34.2 | 11% | 0.112 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.9 | -47.7 | 177.6 | -75 | 173.1 | -30.6 | 0 | 0 | 111.7 | L154 V157 T158 L211 A225 L226 T233 | L154-Q229 HydrophobicContact CD2-CB 4.02Å; L154-Q229 HydrophobicContact CD2-CG 4.17Å; L154-Q229 PolarHBondContact O-NE2 3.15Å; V157-Q229 HydrophobicContact CG1-CG 4.45Å; T158-Q229 VanDerWaalsContact CG2-CD 3.46Å; T158-Q229 HydrophobicContact CG2-CG 3.56Å; L211-Q229 HydrophobicContact CD2-CB 4.09Å; A225-Q229 WeakPolarHBondContact O-CB 3.33Å; A225-Q229 VanDerWaalsContact O-CG 3.3Å; A225-Q229 WeakPolarHBondContact O-CG 3.35Å; A225-Q229 PolarHBondContact O-N 3.37Å; L226-Q229 PolarHBondContact O-N 3.26Å; Q229-T233 VanDerWaalsContact O-CB 3.28Å; Q229-T233 WeakPolarHBondContact O-CB 3.29Å; Q229-T233 PolarHBondContact O-N 2.96Å; Q229-T233 PolarHBondContact O-OG1 2.93Å |
| 230 | F | 84.9 | Confident | 77.6 | Confident | 6 Ų | 6 | 40.1 Ų | 40.1 | 3% | 0.026 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.1 | -52.2 | 179.9 | 177.2 | -97.9 | 0 | 0 | 0 | 111.9 | L215 W220 L226 L228 W232 T233 L234 I253 | L215-F230 HydrophobicContact CD1-CD2 4.01Å; L215-F230 HydrophobicContact CD1-CE2 4Å; L215-F230 HydrophobicContact CD2-CD2 4.19Å; L215-F230 HydrophobicContact CD2-CG 4.43Å; W220-F230 HydrophobicContact CH2-CB 4.06Å; W220-F230 AromaticContact CH2-CD1 3.85Å; W220-F230 HydrophobicContact CH2-CD1 3.85Å; W220-F230 HydrophobicContact CH2-CG 4.14Å; W220-F230 HydrophobicContact CZ3-CB 4.04Å; W220-F230 HydrophobicContact CZ3-CD1 4.37Å; W220-F230 HydrophobicContact CZ3-CG 4.24Å; L226-F230 VanDerWaalsContact O-CB 3.29Å; L226-F230 WeakPolarHBondContact O-CB 3.42Å; L226-F230 PolarHBondContact O-N 3.33Å; L228-F230 PolarHBondContact O-N 2.9Å; F230-W232 PolarHBondContact O-N 2.72Å; F230-T233 PolarHBondContact O-N 3.01Å; F230-L234 HydrophobicContact CE1-CD2 4.42Å; F230-L234 WeakPolarHBondContact O-CB 3Å; F230-L234 PolarHBondContact O-N 3.05Å; F230-I253 HydrophobicContact CE1-CD1 4.32Å; F230-I253 HydrophobicContact CE1-CG1 3.92Å |
| 231 | S | 85.1 | Confident | 76.9 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.007 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.6 | -42.6 | -179.1 | 57.7 | 0 | 0 | 0 | 0 | 112.4 | K227 L228 L234 L235 L268 | K227-S231 VanDerWaalsContact O-CB 3.26Å; K227-S231 WeakPolarHBondContact O-CB 3.33Å; K227-S231 PolarHBondContact O-N 2.85Å; K227-S231 PolarHBondContact O-OG 3.45Å; L228-S231 WeakPolarHBondContact CA-OG 3.47Å; L228-S231 PolarHBondContact O-OG 2.68Å; L228-S231 VanDerWaalsContact O-OG 3.06Å; S231-L234 PolarHBondContact O-N 3.27Å; S231-L235 WeakPolarHBondContact O-CB 3.33Å; S231-L235 WeakPolarHBondContact O-CG 3.42Å; S231-L235 PolarHBondContact O-N 2.91Å; S231-L268 WeakPolarHBondContact OG-CD2 3.42Å |
| 232 | W | 87.1 | Confident | 76.3 | Confident | 62 Ų | 62 | 35.1 Ų | 35.1 | 24% | 0.235 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.7 | -49.6 | 176.4 | -175.6 | -90.8 | 0 | 0 | 0 | 111.1 | Y153 V157 F160 L228 F230 L234 L235 Q236 | Y153-W232 VanDerWaalsContact OH-CD1 3.31Å; V157-W232 HydrophobicContact CG1-CB 3.63Å; V157-W232 HydrophobicContact CG1-CD2 4.44Å; V157-W232 HydrophobicContact CG1-CG 3.61Å; V157-W232 VanDerWaalsContact CG2-CD1 3.46Å; V157-W232 HydrophobicContact CG2-CG 4.28Å; F160-W232 AromaticContact CD2-CE2 3.83Å; F160-W232 HydrophobicContact CD2-CH2 4.22Å; F160-W232 AromaticContact CD2-CZ2 3.67Å; F160-W232 HydrophobicContact CD2-CZ2 3.67Å; F160-W232 AromaticContact CE2-CZ2 3.99Å; F160-W232 HydrophobicContact CE2-CZ2 3.99Å; F160-W232 AromaticContact CE2-NE1 4Å; L228-W232 WeakPolarHBondContact O-CB 3.26Å; L228-W232 PolarHBondContact O-N 3.41Å; F230-W232 PolarHBondContact O-N 2.72Å; W232-L234 VanDerWaalsContact C-N 3.29Å; W232-L234 PolarHBondContact O-N 3.48Å; W232-L235 PolarHBondContact O-N 3.04Å; W232-Q236 HydrophobicContact CG-CG 4.49Å; W232-Q236 VanDerWaalsContact O-CG 3.3Å; W232-Q236 WeakPolarHBondContact O-CG 3.37Å; W232-Q236 PolarHBondContact O-N 2.96Å |
| 233 | T | 85.1 | Confident | 75.7 | Confident | 4 Ų | 4 | 37 Ų | 37 | 3% | 0.025 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.2 | -41.7 | 179.2 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | Y153 L194 L204 V207 Q229 F230 Q236 A237 | Y153-T233 HydrophobicContact CE1-CG2 4.38Å; L194-T233 HydrophobicContact CD1-CG2 4.05Å; L194-T233 HydrophobicContact CD2-CG2 4.11Å; L204-T233 HydrophobicContact CD1-CG2 4.14Å; V207-T233 HydrophobicContact CG1-CG2 3.92Å; Q229-T233 VanDerWaalsContact O-CB 3.28Å; Q229-T233 WeakPolarHBondContact O-CB 3.29Å; Q229-T233 PolarHBondContact O-N 2.96Å; Q229-T233 PolarHBondContact O-OG1 2.93Å; F230-T233 PolarHBondContact O-N 3.01Å; T233-Q236 PolarHBondContact O-N 3.5Å; T233-A237 PolarHBondContact O-N 3.46Å |
| 234 | L | 84 | Confident | 74.8 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.4 | -42.7 | 176.9 | -178.6 | 66.9 | 0 | 0 | 0 | 112.4 | F230 S231 W232 Q236 A237 L245 I253 C272 H275 I276 | F230-L234 HydrophobicContact CE1-CD2 4.42Å; F230-L234 WeakPolarHBondContact O-CB 3Å; F230-L234 PolarHBondContact O-N 3.05Å; S231-L234 PolarHBondContact O-N 3.27Å; W232-L234 VanDerWaalsContact C-N 3.29Å; W232-L234 PolarHBondContact O-N 3.48Å; L234-Q236 VanDerWaalsContact C-N 3.28Å; L234-Q236 PolarHBondContact O-N 3.45Å; L234-A237 PolarHBondContact O-N 2.85Å; L234-L245 HydrophobicContact CD1-CD1 4.39Å; L234-I253 HydrophobicContact CD2-CD1 3.69Å; L234-C272 HydrophobicContact CD2-CB 3.64Å; L234-H275 PolarHBondContact O-CD2 3.17Å; L234-H275 VanDerWaalsContact O-CD2 3.23Å; L234-H275 PolarHBondContact O-NE2 3.31Å; L234-H275 VanDerWaalsContact O-NE2 3.15Å; L234-I276 HydrophobicContact CD1-CG1 4.45Å; L234-I276 HydrophobicContact CD2-CD1 4.11Å; L234-I276 HydrophobicContact CD2-CG1 4.46Å |
| 235 | L | 85.1 | Confident | 74 | Confident | 54 Ų | 54 | 40 Ų | 40 | 28% | 0.283 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -70 | -25.1 | -179.9 | -69.3 | 172.6 | 0 | 0 | 0 | 112.7 | S231 W232 H275 | S231-L235 WeakPolarHBondContact O-CB 3.33Å; S231-L235 WeakPolarHBondContact O-CG 3.42Å; S231-L235 PolarHBondContact O-N 2.91Å; W232-L235 PolarHBondContact O-N 3.04Å; L235-H275 HydrophobicContact CD2-CB 3.67Å; L235-H275 PolarHBondContact O-CE1 3.01Å; L235-H275 VanDerWaalsContact O-CE1 3.28Å; L235-H275 PolarHBondContact O-NE2 3.21Å |
| 236 | Q | 82.9 | Confident | 72.9 | Confident | 51 Ų | 51 | 40.1 Ų | 40.1 | 24% | 0.238 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -86.3 | -20.5 | 174.7 | -62.4 | -53.2 | -57.4 | 0 | 0 | 113.2 | A191 L194 W232 T233 L234 | A191-Q236 WeakPolarHBondContact CA-O 3.43Å; A191-Q236 WeakPolarHBondContact CB-O 3.38Å; L194-Q236 HydrophobicContact CD1-CB 3.58Å; W232-Q236 HydrophobicContact CG-CG 4.49Å; W232-Q236 VanDerWaalsContact O-CG 3.3Å; W232-Q236 WeakPolarHBondContact O-CG 3.37Å; W232-Q236 PolarHBondContact O-N 2.96Å; T233-Q236 PolarHBondContact O-N 3.5Å; L234-Q236 VanDerWaalsContact C-N 3.28Å; L234-Q236 PolarHBondContact O-N 3.45Å |
| 237 | A | 74.9 | Confident | 71.7 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | trans | -72.2 | 131.1 | 180 | 0 | 0 | 0 | 0 | 0 | 111.2 | T233 L234 I242 L245 H275 | T233-A237 PolarHBondContact O-N 3.46Å; L234-A237 PolarHBondContact O-N 2.85Å; A237-I242 HydrophobicContact CB-CG1 4.2Å; A237-I242 WeakPolarHBondContact O-CD1 3.42Å; A237-L245 HydrophobicContact CB-CD1 4.19Å; A237-H275 PolarHBondContact O-NE2 2.95Å; A237-H275 VanDerWaalsContact O-NE2 3.12Å | ||
| 238 | E | 67.9 | Low | 70.7 | Confident | 113 Ų | 113 | 47 Ų | 47 | 53% | 0.528 | 22% | 0.22 | S | C | . | . | trans | -100.9 | 134.2 | 175.5 | -64.3 | -173.9 | 173 | 0 | 0 | 112.6 | A191 T195 K240 | A191-E238 HydrophobicContact CB-CG 4.11Å; T195-E238 HydrophobicContact CG2-CB 4.09Å; E238-K240 PolarHBondContact O-N 3.49Å | ||
| 239 | S | 58.4 | Low | 69.8 | Low | 20 Ų | 20 | 46.4 Ų | 46.4 | 14% | 0.14 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 37.5 | -69.7 | 158.7 | -173.8 | 0 | 0 | 0 | 0 | 121.3 | N279 V283 | S239-N279 PolarHBondContact N-OD1 2.98Å; S239-V283 WeakPolarHBondContact OG-CB 3.41Å; S239-V283 WeakPolarHBondContact OG-CG1 3.42Å; S239-V283 WeakPolarHBondContact OG-CG2 3.3Å |
| 240 | K | 59.2 | Low | 68.8 | Low | 155 Ų | 155 | 45.5 Ų | 45.5 | 67% | 0.674 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -29.9 | -162.7 | -73.1 | -178.1 | -178.5 | 174.2 | 0 | 113.9 | E238 R243 | E238-K240 PolarHBondContact O-N 3.49Å; K240-R243 PolarHBondContact O-NE 2.65Å; K240-R243 PolarHBondContact O-NH2 3.11Å |
| 241 | Q | 57.5 | Low | 68 | Low | 28 Ų | 28 | 48.8 Ų | 48.8 | 13% | 0.131 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -106.7 | -10.7 | -175.3 | -66.7 | 161 | -18.1 | 0 | 0 | 113.6 | L194 T195 L204 R243 H244 | L194-Q241 PolarHBondContact O-OE1 3.21Å; T195-Q241 VanDerWaalsContact CA-OE1 3.29Å; T195-Q241 PolarHBondContact O-NE2 2.9Å; L204-Q241 HydrophobicContact CD2-CB 3.55Å; L204-Q241 HydrophobicContact CD2-CG 4.35Å; Q241-R243 PolarHBondContact O-N 3.11Å; Q241-H244 PolarHBondContact O-N 3.39Å |
| 242 | I | 57.5 | Low | 67.1 | Low | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -53.3 | -23.4 | 166.9 | -62.1 | 175 | 0 | 0 | 0 | 110.8 | A237 H244 L245 L246 N279 | A237-I242 HydrophobicContact CB-CG1 4.2Å; A237-I242 WeakPolarHBondContact O-CD1 3.42Å; I242-H244 PolarHBondContact O-N 3.18Å; I242-L245 PolarHBondContact O-N 3.26Å; I242-L246 HydrophobicContact CG2-CD1 3.71Å; I242-L246 HydrophobicContact CG2-CG 3.66Å; I242-L246 WeakPolarHBondContact O-CA 3.28Å; I242-L246 WeakPolarHBondContact O-CB 3.08Å; I242-L246 WeakPolarHBondContact O-CD1 3.09Å; I242-L246 WeakPolarHBondContact O-CG 3.32Å; I242-L246 PolarHBondContact O-N 3.38Å; I242-N279 HydrophobicContact CD1-CB 3.61Å; I242-N279 VanDerWaalsContact CD1-CG 3.5Å |
| 243 | R | 57.8 | Low | 66.2 | Low | 126 Ų | 126 | 49.2 Ų | 49.2 | 48% | 0.475 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -55.9 | -42.1 | 172.8 | -71.4 | -176.8 | -67 | -177.5 | 4.1 | 114.3 | K240 Q241 L284 | K240-R243 PolarHBondContact O-NE 2.65Å; K240-R243 PolarHBondContact O-NH2 3.11Å; Q241-R243 PolarHBondContact O-N 3.11Å; R243-L284 HydrophobicContact CG-CD2 3.76Å; R243-L284 HydrophobicContact CG-CG 4.32Å |
| 244 | H | 55.7 | Low | 65.3 | Low | 139 Ų | 139 | 50.3 Ų | 50.3 | 64% | 0.644 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -74.7 | -39.2 | 179.3 | -69.2 | -86.8 | 0 | 0 | 0 | 110.6 | Q241 I242 | Q241-H244 PolarHBondContact O-N 3.39Å; I242-H244 PolarHBondContact O-N 3.18Å |
| 245 | L | 57.8 | Low | 64.6 | Low | 8 Ų | 8 | 53.7 Ų | 53.7 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.5 | -37.9 | 174.9 | -65.8 | 171.6 | 0 | 0 | 0 | 113.2 | L204 L208 L234 A237 I242 V247 E248 S249 | L204-L245 HydrophobicContact CD1-CD1 4.28Å; L204-L245 HydrophobicContact CD2-CD1 4.2Å; L208-L245 HydrophobicContact CD1-CD2 3.31Å; L208-L245 HydrophobicContact CD1-CG 4.09Å; L208-L245 HydrophobicContact CD2-CD2 3.13Å; L208-L245 HydrophobicContact CG-CD2 3.76Å; L234-L245 HydrophobicContact CD1-CD1 4.39Å; A237-L245 HydrophobicContact CB-CD1 4.19Å; I242-L245 PolarHBondContact O-N 3.26Å; L245-V247 VanDerWaalsContact C-N 3.29Å; L245-V247 PolarHBondContact O-N 2.93Å; L245-E248 PolarHBondContact O-N 3.4Å; L245-S249 WeakPolarHBondContact O-CB 3.42Å; L245-S249 PolarHBondContact O-N 2.81Å; L245-S249 PolarHBondContact O-OG 3.32Å |
| 246 | L | 58 | Low | 63.8 | Low | 7 Ų | 7 | 53.9 Ų | 53.9 | 4% | 0.037 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.1 | -32 | -166.8 | -101.1 | 160.8 | 0 | 0 | 0 | 114.8 | I242 V250 I276 T280 L284 L289 | I242-L246 HydrophobicContact CG2-CD1 3.71Å; I242-L246 HydrophobicContact CG2-CG 3.66Å; I242-L246 WeakPolarHBondContact O-CA 3.28Å; I242-L246 WeakPolarHBondContact O-CB 3.08Å; I242-L246 WeakPolarHBondContact O-CD1 3.09Å; I242-L246 WeakPolarHBondContact O-CG 3.32Å; I242-L246 PolarHBondContact O-N 3.38Å; L246-V250 HydrophobicContact CD2-CG2 4.04Å; L246-V250 VanDerWaalsContact O-CG2 3.28Å; L246-V250 WeakPolarHBondContact O-CG2 3.49Å; L246-I276 HydrophobicContact CD2-CG2 3.47Å; L246-I276 VanDerWaalsContact CD2-CG2 3.47Å; L246-T280 HydrophobicContact CD1-CG2 4.13Å; L246-T280 HydrophobicContact CD2-CG2 4.36Å; L246-L284 HydrophobicContact CD1-CD2 3.53Å; L246-L289 HydrophobicContact CD2-CD2 4.38Å |
| 247 | V | 55.9 | Low | 63.1 | Low | 80 Ų | 80 | 51.4 Ų | 51.4 | 49% | 0.485 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -69.9 | -49.6 | -174.6 | -176.2 | 0 | 0 | 0 | 0 | 110.5 | L245 | L245-V247 VanDerWaalsContact C-N 3.29Å; L245-V247 PolarHBondContact O-N 2.93Å |
| 248 | E | 61.4 | Low | 62.7 | Low | 86 Ų | 86 | 51.7 Ų | 51.7 | 40% | 0.402 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -89 | -39.2 | -174.6 | -67.3 | -178.5 | 170.3 | 0 | 0 | 111.2 | Q212 L245 V250 S251 Y252 | Q212-E248 PolarHBondContact NE2-OE2 2.85Å; L245-E248 PolarHBondContact O-N 3.4Å; E248-V250 PolarHBondContact O-N 3.43Å; E248-S251 WeakPolarHBondContact O-CB 3.1Å; E248-S251 PolarHBondContact O-N 2.9Å; E248-Y252 HydrophobicContact CB-CD2 4.25Å; E248-Y252 HydrophobicContact CB-CE2 3.9Å; E248-Y252 WeakPolarHBondContact O-CD2 3.46Å; E248-Y252 PolarHBondContact O-N 3.28Å; E248-Y252 VanDerWaalsContact O-N 3.16Å |
| 249 | S | 64 | Low | 62.7 | Low | 6 Ų | 6 | 50.2 Ų | 50.2 | 4% | 0.042 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.1 | -40.3 | -175.9 | -60.8 | 0 | 0 | 0 | 0 | 112.9 | L245 S251 Y252 I253 | L245-S249 WeakPolarHBondContact O-CB 3.42Å; L245-S249 PolarHBondContact O-N 2.81Å; L245-S249 PolarHBondContact O-OG 3.32Å; S249-S251 VanDerWaalsContact C-N 3.31Å; S249-S251 PolarHBondContact O-N 2.75Å; S249-Y252 PolarHBondContact O-N 3.42Å; S249-I253 WeakPolarHBondContact O-CB 3.46Å; S249-I253 VanDerWaalsContact O-CD1 3.28Å; S249-I253 WeakPolarHBondContact O-CD1 3.42Å; S249-I253 WeakPolarHBondContact O-CG1 3.23Å; S249-I253 PolarHBondContact O-N 3.18Å |
| 250 | V | 64.8 | Low | 63.3 | Low | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.03 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.5 | -37.8 | -179.3 | 170.5 | 0 | 0 | 0 | 0 | 111.6 | L246 E248 N254 I276 L298 | L246-V250 HydrophobicContact CD2-CG2 4.04Å; L246-V250 VanDerWaalsContact O-CG2 3.28Å; L246-V250 WeakPolarHBondContact O-CG2 3.49Å; E248-V250 PolarHBondContact O-N 3.43Å; V250-N254 WeakPolarHBondContact O-CB 3.47Å; V250-N254 PolarHBondContact O-N 2.79Å; V250-N254 VanDerWaalsContact O-N 3.09Å; V250-I276 HydrophobicContact CG2-CD1 4.1Å; V250-L298 HydrophobicContact CG1-CD2 3.6Å; V250-L298 HydrophobicContact CG1-CG 4.06Å; V250-L298 HydrophobicContact CG2-CD2 4.43Å |
| 251 | S | 67.1 | Low | 63.9 | Low | 74 Ų | 74 | 50.8 Ų | 50.8 | 52% | 0.517 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65 | -48.1 | 176.3 | -170.1 | 0 | 0 | 0 | 0 | 110.7 | E248 S249 N254 D255 | E248-S251 WeakPolarHBondContact O-CB 3.1Å; E248-S251 PolarHBondContact O-N 2.9Å; S249-S251 VanDerWaalsContact C-N 3.31Å; S249-S251 PolarHBondContact O-N 2.75Å; S251-N254 PolarHBondContact O-N 3.19Å; S251-D255 WeakPolarHBondContact O-CB 3.39Å; S251-D255 PolarHBondContact O-N 2.83Å |
| 252 | Y | 66.8 | Low | 64.7 | Low | 73 Ų | 73 | 53.4 Ų | 53.4 | 29% | 0.286 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 178.8 | -67.9 | -59.7 | 0 | 0 | 0 | 112.5 | L215 E248 S249 N254 R256 | L215-Y252 HydrophobicContact CB-CE1 4.32Å; L215-Y252 HydrophobicContact CB-CE2 4.37Å; L215-Y252 HydrophobicContact CD1-CD2 4.16Å; L215-Y252 HydrophobicContact CD1-CE2 4.21Å; L215-Y252 WeakPolarHBondContact O-CE1 3.26Å; E248-Y252 HydrophobicContact CB-CD2 4.25Å; E248-Y252 HydrophobicContact CB-CE2 3.9Å; E248-Y252 WeakPolarHBondContact O-CD2 3.46Å; E248-Y252 PolarHBondContact O-N 3.28Å; E248-Y252 VanDerWaalsContact O-N 3.16Å; S249-Y252 PolarHBondContact O-N 3.42Å; Y252-N254 PolarHBondContact O-N 3.44Å; Y252-R256 WeakPolarHBondContact O-CA 3.25Å; Y252-R256 WeakPolarHBondContact O-CB 3.17Å; Y252-R256 WeakPolarHBondContact O-CG 3.37Å; Y252-R256 PolarHBondContact O-N 2.9Å |
| 253 | I | 69.4 | Low | 65.4 | Low | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | I | π-helix | trans | -61.9 | -45.6 | 178.8 | -64 | 158.2 | 0 | 0 | 0 | 110.6 | F230 L234 S249 L257 N258 G269 C272 L273 I276 | F230-I253 HydrophobicContact CE1-CD1 4.32Å; F230-I253 HydrophobicContact CE1-CG1 3.92Å; L234-I253 HydrophobicContact CD2-CD1 3.69Å; S249-I253 WeakPolarHBondContact O-CB 3.46Å; S249-I253 VanDerWaalsContact O-CD1 3.28Å; S249-I253 WeakPolarHBondContact O-CD1 3.42Å; S249-I253 WeakPolarHBondContact O-CG1 3.23Å; S249-I253 PolarHBondContact O-N 3.18Å; I253-L257 HydrophobicContact CG1-CD1 4.25Å; I253-L257 HydrophobicContact CG2-CB 4.4Å; I253-L257 HydrophobicContact CG2-CD1 4.3Å; I253-L257 WeakPolarHBondContact O-CB 3.45Å; I253-L257 PolarHBondContact O-N 3.45Å; I253-N258 PolarHBondContact O-N 3.26Å; I253-G269 WeakPolarHBondContact CG2-O 3.46Å; I253-C272 HydrophobicContact CD1-CB 3.93Å; I253-C272 HydrophobicContact CG1-CB 4.35Å; I253-C272 HydrophobicContact CG2-CB 4.42Å; I253-L273 HydrophobicContact CB-CD2 4.06Å; I253-L273 HydrophobicContact CD1-CD2 4.22Å; I253-L273 HydrophobicContact CG2-CD1 4.36Å; I253-L273 HydrophobicContact CG2-CD2 3.55Å; I253-L273 HydrophobicContact CG2-CG 3.65Å; I253-I276 HydrophobicContact CD1-CD1 3.68Å |
| 254 | N | 66.1 | Low | 66.4 | Low | 26 Ų | 26 | 54.7 Ų | 54.7 | 14% | 0.139 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -68.8 | -42.2 | -177.6 | -175.5 | 42.5 | 0 | 0 | 0 | 113.4 | V250 S251 Y252 A301 R304 | V250-N254 WeakPolarHBondContact O-CB 3.47Å; V250-N254 PolarHBondContact O-N 2.79Å; V250-N254 VanDerWaalsContact O-N 3.09Å; S251-N254 PolarHBondContact O-N 3.19Å; Y252-N254 PolarHBondContact O-N 3.44Å; N254-A301 HydrophobicContact CB-CB 4.38Å; N254-A301 WeakPolarHBondContact OD1-CA 3.37Å; N254-A301 WeakPolarHBondContact OD1-CB 3.47Å; N254-R304 PolarHBondContact OD1-NH2 3.03Å |
| 255 | D | 67.6 | Low | 67.5 | Low | 76 Ų | 76 | 49.1 Ų | 49.1 | 41% | 0.406 | 24% | 0.242 | S | C | . | . | I | π-helix | trans | -85.3 | -20 | -177.3 | -172.1 | 50.9 | 0 | 0 | 0 | 113.4 | S251 | S251-D255 WeakPolarHBondContact O-CB 3.39Å; S251-D255 PolarHBondContact O-N 2.83Å |
| 256 | R | 69.9 | Low | 68.4 | Low | 57 Ų | 57 | 49.5 Ų | 49.5 | 22% | 0.215 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -122.3 | -30.7 | -168.7 | -54.5 | -68.7 | -173 | -126 | -12.4 | 115.9 | W220 Y252 | W220-R256 HydrophobicContact CD2-CB 4.49Å; W220-R256 HydrophobicContact CG-CB 4.34Å; W220-R256 PolarHBondContact NE1-O 3.23Å; Y252-R256 WeakPolarHBondContact O-CA 3.25Å; Y252-R256 WeakPolarHBondContact O-CB 3.17Å; Y252-R256 WeakPolarHBondContact O-CG 3.37Å; Y252-R256 PolarHBondContact O-N 2.9Å |
| 257 | L | 67.3 | Low | 69.5 | Low | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -96.4 | -46.6 | 176.3 | -75.3 | 171.3 | 0 | 0 | 0 | 110.9 | W220 I253 D259 D260 N265 C266 | W220-L257 HydrophobicContact CZ2-CD1 4.1Å; W220-L257 HydrophobicContact CZ2-CD2 3.62Å; W220-L257 HydrophobicContact CZ2-CG 3.65Å; I253-L257 HydrophobicContact CG1-CD1 4.25Å; I253-L257 HydrophobicContact CG2-CB 4.4Å; I253-L257 HydrophobicContact CG2-CD1 4.3Å; I253-L257 WeakPolarHBondContact O-CB 3.45Å; I253-L257 PolarHBondContact O-N 3.45Å; L257-D259 VanDerWaalsContact C-N 3.35Å; L257-D259 PolarHBondContact O-N 2.96Å; L257-D260 WeakPolarHBondContact O-CB 2.81Å; L257-D260 PolarHBondContact O-N 3.46Å; L257-N265 HydrophobicContact CD2-CB 4.11Å; L257-N265 CarbonylContact O-C 3.55Å; L257-C266 WeakPolarHBondContact O-CA 3.08Å; L257-C266 PolarHBondContact O-N 3.37Å; L257-C266 PolarHBondContact O-SG 2.89Å |
| 258 | N | 66.2 | Low | 70.7 | Confident | 6 Ų | 6 | 48.4 Ų | 48.4 | 3% | 0.032 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -28.4 | -177.5 | -76.7 | 7.7 | 0 | 0 | 0 | 113.6 | I253 G269 L273 H305 | I253-N258 PolarHBondContact O-N 3.26Å; N258-G269 WeakPolarHBondContact OD1-CA 3.46Å; N258-L273 VanDerWaalsContact ND2-CD1 3.26Å; N258-L273 WeakPolarHBondContact ND2-CD1 3.23Å; N258-H305 WeakPolarHBondContact CB-NE2 3.31Å; N258-H305 PolarHBondContact ND2-NE2 3.01Å; N258-H305 PolarHBondContact O-CE1 3.19Å |
| 259 | D | 68.7 | Low | 71.8 | Confident | 82 Ų | 82 | 44.3 Ų | 44.3 | 44% | 0.439 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 15.3 | 177.5 | -70.8 | -34.4 | 0 | 0 | 0 | 112.2 | L257 R304 | L257-D259 VanDerWaalsContact C-N 3.35Å; L257-D259 PolarHBondContact O-N 2.96Å; D259-R304 VanDerWaalsContact CG-NH1 3.29Å; D259-R304 IonicContact OD1-CZ 3.68Å; D259-R304 VanDerWaalsContact OD1-CZ 3.31Å; D259-R304 IonicContact OD1-NH1 2.85Å; D259-R304 PolarHBondContact OD1-NH1 3.23Å; D259-R304 IonicContact OD1-NH2 2.8Å; D259-R304 PolarHBondContact OD1-NH2 2.93Å; D259-R304 IonicContact OD2-CZ 2.84Å; D259-R304 IonicContact OD2-NH1 3.7Å; D259-R304 PolarHBondContact OD2-NH1 3.4Å; D259-R304 IonicContact OD2-NH2 3.89Å; D259-R304 PolarHBondContact OD2-NH2 3.24Å |
| 260 | D | 71.7 | Confident | 72.7 | Confident | 28 Ų | 28 | 44.1 Ų | 44.1 | 15% | 0.15 | 21% | 0.214 | C | C | . | . | trans | -73.5 | 152.6 | 175.1 | -158.1 | -57.4 | 0 | 0 | 0 | 110.6 | K227 L257 R262 N265 C266 | K227-D260 IonicContact NZ-OD2 2.81Å; K227-D260 PolarHBondContact NZ-OD2 3Å; L257-D260 WeakPolarHBondContact O-CB 2.81Å; L257-D260 PolarHBondContact O-N 3.46Å; D260-R262 VanDerWaalsContact C-N 3.33Å; D260-R262 PolarHBondContact OD1-N 3Å; D260-N265 HydrophobicContact CB-CB 3.79Å; D260-N265 PolarHBondContact OD1-ND2 2.75Å; D260-N265 PolarHBondContact OD2-ND2 2.96Å; D260-C266 PolarHBondContact O-SG 2.86Å | ||
| 261 | Y | 70.2 | Confident | 73.6 | Confident | 160 Ų | 160 | 50.4 Ų | 50.4 | 63% | 0.627 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -79.2 | -20.2 | 177.9 | 72.7 | -89.7 | 0 | 0 | 0 | 112.2 | G105 | G105-Y261 PolarHBondContact O-OH 3.36Š|
| 262 | R | 74.3 | Confident | 74.4 | Confident | 82 Ų | 82 | 46.9 Ų | 46.9 | 31% | 0.309 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -87.8 | 125.3 | 179.3 | -63.9 | -167.8 | 179.1 | -158.4 | -7.7 | 111.1 | G105 S106 D260 E264 N265 C266 | G105-R262 PolarHBondContact O-NH2 3.01Å; S106-R262 PolarHBondContact OG-NH2 3.1Å; D260-R262 VanDerWaalsContact C-N 3.33Å; D260-R262 PolarHBondContact OD1-N 3Å; R262-E264 PolarHBondContact O-N 3.46Å; R262-N265 HydrophobicContact CB-CB 4.45Å; R262-N265 PolarHBondContact O-N 3.3Å; R262-N265 VanDerWaalsContact O-N 3.15Å; R262-C266 PolarHBondContact O-N 3.29Å |
| 263 | P | 72.8 | Confident | 75.2 | Confident | 41 Ų | 41 | 43.4 Ų | 43.4 | 27% | 0.266 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.4 | -30.3 | -178.7 | 26.1 | -33.4 | 0 | 0 | 0 | 112.3 | N265 C266 M267 E310 | P263-N265 VanDerWaalsContact C-N 3.31Å; P263-N265 PolarHBondContact O-N 3.08Å; P263-C266 WeakPolarHBondContact O-CB 3.25Å; P263-C266 PolarHBondContact O-N 3.37Å; P263-M267 PolarHBondContact O-N 3.21Å; P263-E310 VanDerWaalsContact CB-OE1 3.31Å; P263-E310 WeakPolarHBondContact CB-OE1 3.44Å |
| 264 | E | 78.2 | Confident | 75.9 | Confident | 112 Ų | 112 | 44.7 Ų | 44.7 | 52% | 0.523 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.5 | -37.7 | 178.3 | -56.6 | 79 | -168.5 | 0 | 0 | 112.4 | R262 M267 L268 | R262-E264 PolarHBondContact O-N 3.46Å; E264-M267 HydrophobicContact CB-CE 4.46Å; E264-M267 HydrophobicContact CG-CE 4.35Å; E264-L268 WeakPolarHBondContact O-CB 3.38Å; E264-L268 PolarHBondContact O-N 3.01Å |
| 265 | N | 78.8 | Confident | 76.7 | Confident | 23 Ų | 23 | 45.3 Ų | 45.3 | 12% | 0.123 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -72.5 | -38.2 | 176.9 | -66.8 | -30.3 | 0 | 0 | 0 | 110.9 | K227 L257 D260 R262 P263 L268 G269 | K227-N265 PolarHBondContact NZ-ND2 3.04Å; L257-N265 HydrophobicContact CD2-CB 4.11Å; L257-N265 CarbonylContact O-C 3.55Å; D260-N265 HydrophobicContact CB-CB 3.79Å; D260-N265 PolarHBondContact OD1-ND2 2.75Å; D260-N265 PolarHBondContact OD2-ND2 2.96Å; R262-N265 HydrophobicContact CB-CB 4.45Å; R262-N265 PolarHBondContact O-N 3.3Å; R262-N265 VanDerWaalsContact O-N 3.15Å; P263-N265 VanDerWaalsContact C-N 3.31Å; P263-N265 PolarHBondContact O-N 3.08Å; N265-L268 PolarHBondContact O-N 3.42Å; N265-G269 PolarHBondContact O-N 3.37Å |
| 266 | C | 78.3 | Confident | 77.3 | Confident | 15 Ų | 15 | 41.7 Ų | 41.7 | 10% | 0.101 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61 | -48.1 | 173.9 | -66.5 | 0 | 0 | 0 | 0 | 111.3 | L257 D260 R262 P263 L268 G269 V270 | L257-C266 WeakPolarHBondContact O-CA 3.08Å; L257-C266 PolarHBondContact O-N 3.37Å; L257-C266 PolarHBondContact O-SG 2.89Å; D260-C266 PolarHBondContact O-SG 2.86Å; R262-C266 PolarHBondContact O-N 3.29Å; P263-C266 WeakPolarHBondContact O-CB 3.25Å; P263-C266 PolarHBondContact O-N 3.37Å; C266-L268 VanDerWaalsContact C-N 3.32Å; C266-L268 PolarHBondContact O-N 3.25Å; C266-G269 PolarHBondContact O-N 3.06Å; C266-G269 VanDerWaalsContact O-N 3.16Å; C266-V270 WeakPolarHBondContact O-CG2 3.43Å; C266-V270 PolarHBondContact O-N 3.24Å |
| 267 | M | 80.5 | Confident | 77.7 | Confident | 42 Ų | 42 | 39 Ų | 39 | 21% | 0.207 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54.7 | -47.9 | 173.7 | -81.8 | -165.3 | -75.5 | 0 | 0 | 112.1 | P263 E264 G269 V270 R271 D313 | P263-M267 PolarHBondContact O-N 3.21Å; E264-M267 HydrophobicContact CB-CE 4.46Å; E264-M267 HydrophobicContact CG-CE 4.35Å; M267-G269 VanDerWaalsContact C-N 3.3Å; M267-G269 PolarHBondContact O-N 3.41Å; M267-V270 PolarHBondContact O-N 3.02Å; M267-R271 WeakPolarHBondContact O-CG 3.32Å; M267-R271 PolarHBondContact O-N 3.06Å; M267-D313 HydrophobicContact CG-CB 4.49Å; M267-D313 WeakPolarHBondContact CG-OD1 3.43Å |
| 268 | L | 81.1 | Confident | 78.2 | Confident | 23 Ų | 23 | 42.4 Ų | 42.4 | 12% | 0.12 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.4 | -40.4 | 179.6 | -169.2 | 62.4 | 0 | 0 | 0 | 111.3 | S231 E264 N265 C266 R271 C272 | S231-L268 WeakPolarHBondContact OG-CD2 3.42Å; E264-L268 WeakPolarHBondContact O-CB 3.38Å; E264-L268 PolarHBondContact O-N 3.01Å; N265-L268 PolarHBondContact O-N 3.42Å; C266-L268 VanDerWaalsContact C-N 3.32Å; C266-L268 PolarHBondContact O-N 3.25Å; L268-R271 PolarHBondContact O-N 3.45Å; L268-C272 WeakPolarHBondContact O-CB 3.44Å; L268-C272 PolarHBondContact O-N 2.87Å; L268-C272 PolarHBondContact O-SG 3.15Å |
| 269 | G | 83.3 | Confident | 78.5 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.1 | -51 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I253 N258 N265 C266 M267 R271 C272 L273 | I253-G269 WeakPolarHBondContact CG2-O 3.46Å; N258-G269 WeakPolarHBondContact OD1-CA 3.46Å; N265-G269 PolarHBondContact O-N 3.37Å; C266-G269 PolarHBondContact O-N 3.06Å; C266-G269 VanDerWaalsContact O-N 3.16Å; M267-G269 VanDerWaalsContact C-N 3.3Å; M267-G269 PolarHBondContact O-N 3.41Å; G269-R271 VanDerWaalsContact C-N 3.33Å; G269-R271 PolarHBondContact O-N 2.71Å; G269-C272 WeakPolarHBondContact O-CB 3.21Å; G269-C272 PolarHBondContact O-N 2.96Å; G269-L273 WeakPolarHBondContact O-CG 3.47Å; G269-L273 PolarHBondContact O-N 3.45Å |
| 270 | V | 83.4 | Confident | 78.3 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.5 | -39.2 | 177.8 | -179.1 | 0 | 0 | 0 | 0 | 111.3 | C266 M267 L273 H274 L302 L316 V317 | C266-V270 WeakPolarHBondContact O-CG2 3.43Å; C266-V270 PolarHBondContact O-N 3.24Å; M267-V270 PolarHBondContact O-N 3.02Å; V270-L273 PolarHBondContact O-N 3.15Å; V270-H274 WeakPolarHBondContact O-CB 3.48Å; V270-H274 PolarHBondContact O-N 3.08Å; V270-L302 HydrophobicContact CG1-CD2 4.06Å; V270-L316 HydrophobicContact CB-CD2 3.86Å; V270-L316 HydrophobicContact CG1-CB 4.25Å; V270-L316 HydrophobicContact CG1-CD2 3.57Å; V270-L316 HydrophobicContact CG1-CG 3.68Å; V270-V317 HydrophobicContact CB-CG2 4.42Å; V270-V317 HydrophobicContact CG1-CG2 3.69Å; V270-V317 HydrophobicContact CG2-CG2 3.86Å |
| 271 | R | 84.8 | Confident | 77.5 | Confident | 137 Ų | 137 | 41.5 Ų | 41.5 | 52% | 0.517 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.4 | -45.6 | 175.4 | -74 | 179.9 | -177.2 | 173.5 | 3 | 111.6 | M267 L268 G269 L273 H274 H275 L316 | M267-R271 WeakPolarHBondContact O-CG 3.32Å; M267-R271 PolarHBondContact O-N 3.06Å; L268-R271 PolarHBondContact O-N 3.45Å; G269-R271 VanDerWaalsContact C-N 3.33Å; G269-R271 PolarHBondContact O-N 2.71Å; R271-L273 VanDerWaalsContact C-N 3.34Å; R271-L273 PolarHBondContact O-N 2.87Å; R271-H274 PolarHBondContact O-N 3.24Å; R271-H275 PolarHBondContact O-N 2.91Å; R271-L316 HydrophobicContact CB-CD2 4.16Å; R271-L316 HydrophobicContact CG-CD1 4.5Å; R271-L316 HydrophobicContact CG-CD2 3.3Å |
| 272 | C | 84.3 | Confident | 76.7 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.7 | -43.7 | 175.1 | -72.6 | 0 | 0 | 0 | 0 | 111.6 | L234 I253 L268 G269 H275 I276 | L234-C272 HydrophobicContact CD2-CB 3.64Å; I253-C272 HydrophobicContact CD1-CB 3.93Å; I253-C272 HydrophobicContact CG1-CB 4.35Å; I253-C272 HydrophobicContact CG2-CB 4.42Å; L268-C272 WeakPolarHBondContact O-CB 3.44Å; L268-C272 PolarHBondContact O-N 2.87Å; L268-C272 PolarHBondContact O-SG 3.15Å; G269-C272 WeakPolarHBondContact O-CB 3.21Å; G269-C272 PolarHBondContact O-N 2.96Å; C272-H275 PolarHBondContact O-N 3.4Å; C272-I276 WeakPolarHBondContact O-CG1 3.49Å; C272-I276 PolarHBondContact O-N 2.81Å |
| 273 | L | 82.8 | Confident | 75.5 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.8 | -42.3 | 175.6 | -68.9 | -170.8 | 0 | 0 | 0 | 112.4 | I253 N258 G269 V270 R271 I276 V277 L298 A301 L302 | I253-L273 HydrophobicContact CB-CD2 4.06Å; I253-L273 HydrophobicContact CD1-CD2 4.22Å; I253-L273 HydrophobicContact CG2-CD1 4.36Å; I253-L273 HydrophobicContact CG2-CD2 3.55Å; I253-L273 HydrophobicContact CG2-CG 3.65Å; N258-L273 VanDerWaalsContact ND2-CD1 3.26Å; N258-L273 WeakPolarHBondContact ND2-CD1 3.23Å; G269-L273 WeakPolarHBondContact O-CG 3.47Å; G269-L273 PolarHBondContact O-N 3.45Å; V270-L273 PolarHBondContact O-N 3.15Å; R271-L273 VanDerWaalsContact C-N 3.34Å; R271-L273 PolarHBondContact O-N 2.87Å; L273-I276 HydrophobicContact CD2-CD1 4.49Å; L273-I276 WeakPolarHBondContact O-CB 3.4Å; L273-I276 PolarHBondContact O-N 2.94Å; L273-V277 WeakPolarHBondContact O-CG2 3.12Å; L273-V277 PolarHBondContact O-N 3.38Å; L273-L298 HydrophobicContact CD1-CD2 4.13Å; L273-L298 HydrophobicContact CD2-CD2 3.37Å; L273-L298 HydrophobicContact CG-CD2 4.25Å; L273-A301 HydrophobicContact CD1-CB 4.27Å; L273-L302 HydrophobicContact CD1-CD2 4Å; L273-L302 HydrophobicContact CD1-CG 4.24Å |
| 274 | H | 84.1 | Confident | 74.5 | Confident | 28 Ų | 28 | 38.5 Ų | 38.5 | 13% | 0.13 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.7 | -42.4 | 178.7 | -169.5 | -157.6 | 0 | 0 | 0 | 111.6 | V270 R271 I276 V277 L278 L316 C320 D323 | V270-H274 WeakPolarHBondContact O-CB 3.48Å; V270-H274 PolarHBondContact O-N 3.08Å; R271-H274 PolarHBondContact O-N 3.24Å; H274-I276 VanDerWaalsContact C-N 3.3Å; H274-I276 PolarHBondContact O-N 3.48Å; H274-V277 PolarHBondContact O-N 3.31Å; H274-V277 VanDerWaalsContact O-N 3.11Å; H274-L278 WeakPolarHBondContact O-CG 3.46Å; H274-L278 PolarHBondContact O-N 3.46Å; H274-L316 HydrophobicContact CB-CD1 4.5Å; H274-C320 VanDerWaalsContact CA-SG 3.5Å; H274-C320 HydrophobicContact CB-CB 3.95Å; H274-D323 IonicContact CD2-OD2 2.68Å; H274-D323 IonicContact CE1-OD2 3.91Å; H274-D323 IonicContact NE2-OD2 2.67Å; H274-D323 PolarHBondContact NE2-OD2 3.34Å |
| 275 | H | 83.8 | Confident | 73.4 | Confident | 38 Ų | 38 | 37.9 Ų | 37.9 | 18% | 0.176 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.2 | -43 | 173.3 | -174.7 | 73.2 | 0 | 0 | 0 | 112 | L234 L235 A237 R271 C272 L278 N279 | L234-H275 PolarHBondContact O-CD2 3.17Å; L234-H275 VanDerWaalsContact O-CD2 3.23Å; L234-H275 PolarHBondContact O-NE2 3.31Å; L234-H275 VanDerWaalsContact O-NE2 3.15Å; L235-H275 HydrophobicContact CD2-CB 3.67Å; L235-H275 PolarHBondContact O-CE1 3.01Å; L235-H275 VanDerWaalsContact O-CE1 3.28Å; L235-H275 PolarHBondContact O-NE2 3.21Å; A237-H275 PolarHBondContact O-NE2 2.95Å; A237-H275 VanDerWaalsContact O-NE2 3.12Å; R271-H275 PolarHBondContact O-N 2.91Å; C272-H275 PolarHBondContact O-N 3.4Å; H275-L278 PolarHBondContact O-N 2.87Å; H275-N279 PolarHBondContact CE1-ND2 3.45Å; H275-N279 PolarHBondContact ND1-ND2 2.97Å; H275-N279 PolarHBondContact NE2-ND2 2.65Å; H275-N279 WeakPolarHBondContact O-CB 3.4Å; H275-N279 PolarHBondContact O-N 3.49Å; H275-N279 PolarHBondContact O-ND2 3.19Å |
| 276 | I | 79.2 | Confident | 72.6 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.4 | -47 | 173.9 | -72.2 | 167 | 0 | 0 | 0 | 110.6 | L234 L246 V250 I253 C272 L273 H274 L278 N279 T280 | L234-I276 HydrophobicContact CD1-CG1 4.45Å; L234-I276 HydrophobicContact CD2-CD1 4.11Å; L234-I276 HydrophobicContact CD2-CG1 4.46Å; L246-I276 HydrophobicContact CD2-CG2 3.47Å; L246-I276 VanDerWaalsContact CD2-CG2 3.47Å; V250-I276 HydrophobicContact CG2-CD1 4.1Å; I253-I276 HydrophobicContact CD1-CD1 3.68Å; C272-I276 WeakPolarHBondContact O-CG1 3.49Å; C272-I276 PolarHBondContact O-N 2.81Å; L273-I276 HydrophobicContact CD2-CD1 4.49Å; L273-I276 WeakPolarHBondContact O-CB 3.4Å; L273-I276 PolarHBondContact O-N 2.94Å; H274-I276 VanDerWaalsContact C-N 3.3Å; H274-I276 PolarHBondContact O-N 3.48Å; I276-L278 PolarHBondContact O-N 3.16Å; I276-N279 PolarHBondContact O-N 3.43Å; I276-T280 HydrophobicContact CG2-CG2 4.16Å; I276-T280 VanDerWaalsContact O-CB 3.3Å; I276-T280 WeakPolarHBondContact O-CB 3.36Å; I276-T280 WeakPolarHBondContact O-CG2 3.34Å; I276-T280 PolarHBondContact O-N 3.07Å; I276-T280 PolarHBondContact O-OG1 3.19Å |
| 277 | V | 78.1 | Confident | 71.8 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.1 | -44.5 | 179.6 | 172 | 0 | 0 | 0 | 0 | 111.2 | L273 H274 T280 L281 D323 L324 | L273-V277 WeakPolarHBondContact O-CG2 3.12Å; L273-V277 PolarHBondContact O-N 3.38Å; H274-V277 PolarHBondContact O-N 3.31Å; H274-V277 VanDerWaalsContact O-N 3.11Å; V277-T280 WeakPolarHBondContact CA-OG1 3.44Å; V277-T280 PolarHBondContact O-N 2.63Å; V277-T280 PolarHBondContact O-OG1 3.32Å; V277-L281 HydrophobicContact CG1-CD1 3.87Å; V277-L281 HydrophobicContact CG1-CG 4.49Å; V277-L281 WeakPolarHBondContact O-CB 3.44Å; V277-L281 VanDerWaalsContact O-CG 3.28Å; V277-L281 WeakPolarHBondContact O-CG 3.28Å; V277-L281 PolarHBondContact O-N 3.5Å; V277-D323 HydrophobicContact CG1-CB 3.69Å; V277-L324 HydrophobicContact CG1-CB 4.21Å; V277-L324 HydrophobicContact CG2-CB 4.24Å; V277-L324 HydrophobicContact CG2-CD1 4.14Å |
| 278 | L | 78.9 | Confident | 70.8 | Confident | 72 Ų | 72 | 41.3 Ų | 41.3 | 38% | 0.377 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.5 | -46.4 | 178.8 | -69.6 | 175.5 | 0 | 0 | 0 | 112.3 | H274 H275 I276 T280 L281 V282 | H274-L278 WeakPolarHBondContact O-CG 3.46Å; H274-L278 PolarHBondContact O-N 3.46Å; H275-L278 PolarHBondContact O-N 2.87Å; I276-L278 PolarHBondContact O-N 3.16Å; L278-T280 VanDerWaalsContact C-N 3.29Å; L278-T280 PolarHBondContact O-N 3.49Å; L278-L281 PolarHBondContact O-N 3.34Å; L278-V282 WeakPolarHBondContact O-CG2 3.28Å; L278-V282 PolarHBondContact O-N 2.93Å; L278-V282 VanDerWaalsContact O-N 3.11Å |
| 279 | N | 71.9 | Confident | 70 | Confident | 27 Ų | 27 | 40.5 Ų | 40.5 | 14% | 0.144 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.6 | -34.2 | 177.6 | -81.1 | -86.8 | 0 | 0 | 0 | 112.3 | S239 I242 H275 I276 V283 | S239-N279 PolarHBondContact N-OD1 2.98Å; I242-N279 HydrophobicContact CD1-CB 3.61Å; I242-N279 VanDerWaalsContact CD1-CG 3.5Å; H275-N279 PolarHBondContact CE1-ND2 3.45Å; H275-N279 PolarHBondContact ND1-ND2 2.97Å; H275-N279 PolarHBondContact NE2-ND2 2.65Å; H275-N279 WeakPolarHBondContact O-CB 3.4Å; H275-N279 PolarHBondContact O-N 3.49Å; H275-N279 PolarHBondContact O-ND2 3.19Å; I276-N279 PolarHBondContact O-N 3.43Å; N279-V283 PolarHBondContact O-N 3.37Å |
| 280 | T | 63.5 | Low | 69 | Low | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.012 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -73.3 | -26.6 | 175.1 | 56.9 | 0 | 0 | 0 | 0 | 113 | L246 I276 V277 L278 L284 L289 | L246-T280 HydrophobicContact CD1-CG2 4.13Å; L246-T280 HydrophobicContact CD2-CG2 4.36Å; I276-T280 HydrophobicContact CG2-CG2 4.16Å; I276-T280 VanDerWaalsContact O-CB 3.3Å; I276-T280 WeakPolarHBondContact O-CB 3.36Å; I276-T280 WeakPolarHBondContact O-CG2 3.34Å; I276-T280 PolarHBondContact O-N 3.07Å; I276-T280 PolarHBondContact O-OG1 3.19Å; V277-T280 WeakPolarHBondContact CA-OG1 3.44Å; V277-T280 PolarHBondContact O-N 2.63Å; V277-T280 PolarHBondContact O-OG1 3.32Å; L278-T280 VanDerWaalsContact C-N 3.29Å; L278-T280 PolarHBondContact O-N 3.49Å; T280-L284 HydrophobicContact CG2-CB 4.38Å; T280-L284 HydrophobicContact CG2-CD1 4.07Å; T280-L284 HydrophobicContact CG2-CD2 4.13Å; T280-L284 HydrophobicContact CG2-CG 4.43Å; T280-L284 CarbonylContact O-C 3.57Å; T280-L284 PolarHBondContact O-N 2.87Å; T280-L289 HydrophobicContact CG2-CD1 3.91Å; T280-L289 HydrophobicContact CG2-CD2 4.34Å; T280-L289 HydrophobicContact CG2-CG 4.15Å; T280-L289 WeakPolarHBondContact OG1-CD1 3.33Å |
| 281 | L | 56.1 | Low | 68 | Low | 67 Ų | 67 | 53 Ų | 53 | 35% | 0.351 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -75 | -38 | 174.6 | -81.4 | 166.7 | 0 | 0 | 0 | 113 | V277 L278 D323 V327 | V277-L281 HydrophobicContact CG1-CD1 3.87Å; V277-L281 HydrophobicContact CG1-CG 4.49Å; V277-L281 WeakPolarHBondContact O-CB 3.44Å; V277-L281 VanDerWaalsContact O-CG 3.28Å; V277-L281 WeakPolarHBondContact O-CG 3.28Å; V277-L281 PolarHBondContact O-N 3.5Å; L278-L281 PolarHBondContact O-N 3.34Å; L281-D323 HydrophobicContact CD1-CB 3.76Å; L281-V327 HydrophobicContact CD1-CG2 4.46Å; L281-V327 HydrophobicContact CD2-CG2 3.34Å; L281-V327 HydrophobicContact CG-CG2 3.77Å |
| 282 | V | 52.8 | Low | 66.7 | Low | 120 Ų | 120 | 52 Ų | 52 | 73% | 0.727 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -81.9 | -32.2 | -173.4 | 178.9 | 0 | 0 | 0 | 0 | 112.4 | L278 | L278-V282 WeakPolarHBondContact O-CG2 3.28Å; L278-V282 PolarHBondContact O-N 2.93Å; L278-V282 VanDerWaalsContact O-N 3.11Å |
| 283 | V | 50.1 | Low | 66 | Low | 83 Ų | 83 | 57.2 Ų | 57.2 | 50% | 0.503 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.2 | -30.3 | -170.9 | -169.4 | 0 | 0 | 0 | 0 | 115.4 | S239 N279 | S239-V283 WeakPolarHBondContact OG-CB 3.41Å; S239-V283 WeakPolarHBondContact OG-CG1 3.42Å; S239-V283 WeakPolarHBondContact OG-CG2 3.3Å; N279-V283 PolarHBondContact O-N 3.37Å |
| 284 | L | 51.3 | Low | 65.5 | Low | 17 Ų | 17 | 59.4 Ų | 59.4 | 9% | 0.089 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -80.9 | 139.2 | 173.4 | -71.7 | 85.1 | 0 | 0 | 0 | 109.4 | R243 L246 T280 A286 Q288 | R243-L284 HydrophobicContact CG-CD2 3.76Å; R243-L284 HydrophobicContact CG-CG 4.32Å; L246-L284 HydrophobicContact CD1-CD2 3.53Å; T280-L284 HydrophobicContact CG2-CB 4.38Å; T280-L284 HydrophobicContact CG2-CD1 4.07Å; T280-L284 HydrophobicContact CG2-CD2 4.13Å; T280-L284 HydrophobicContact CG2-CG 4.43Å; T280-L284 CarbonylContact O-C 3.57Å; T280-L284 PolarHBondContact O-N 2.87Å; L284-A286 PolarHBondContact O-N 3.44Å; L284-Q288 VanDerWaalsContact CD2-OE1 3.27Å |
| 285 | T | 55.3 | Low | 65 | Low | 100 Ų | 100 | 58.2 Ų | 58.2 | 61% | 0.613 | 31% | 0.306 | S | S | * | . | trans | -64 | 126.7 | 171.1 | -27.3 | 0 | 0 | 0 | 0 | 107.5 | A287 Q288 | T285-A287 HydrophobicContact CG2-CB 4.18Å; T285-A287 PolarHBondContact O-N 3.23Å; T285-Q288 PolarHBondContact O-N 3.18Å | ||
| 286 | A | 60.5 | Low | 64.9 | Low | 29 Ų | 29 | 58 Ų | 58 | 24% | 0.24 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | -19.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L284 Q288 R290 V327 | L284-A286 PolarHBondContact O-N 3.44Å; A286-Q288 VanDerWaalsContact C-N 3.32Å; A286-Q288 PolarHBondContact O-N 2.84Å; A286-R290 VanDerWaalsContact O-CG 3.3Å; A286-R290 WeakPolarHBondContact O-CG 3.02Å; A286-R290 PolarHBondContact O-N 3.47Å; A286-V327 HydrophobicContact CB-CG1 3.99Å |
| 287 | A | 61.2 | Low | 64.9 | Low | 51 Ų | 51 | 60.6 Ų | 60.6 | 42% | 0.421 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -55.5 | -36.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | T285 R290 Q291 | T285-A287 HydrophobicContact CG2-CB 4.18Å; T285-A287 PolarHBondContact O-N 3.23Å; A287-R290 PolarHBondContact O-N 3.26Å; A287-Q291 VanDerWaalsContact O-CB 3.27Å; A287-Q291 WeakPolarHBondContact O-CB 2.99Å; A287-Q291 PolarHBondContact O-N 2.84Å |
| 288 | Q | 61 | Low | 65 | Low | 72 Ų | 72 | 60.6 Ų | 60.6 | 34% | 0.336 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -72.4 | -39.4 | -174.3 | -68.2 | -177.4 | -45.4 | 0 | 0 | 112.9 | L284 T285 A286 R290 | L284-Q288 VanDerWaalsContact CD2-OE1 3.27Å; T285-Q288 PolarHBondContact O-N 3.18Å; A286-Q288 VanDerWaalsContact C-N 3.32Å; A286-Q288 PolarHBondContact O-N 2.84Å; Q288-R290 VanDerWaalsContact C-N 3.3Å |
| 289 | L | 62.9 | Low | 65.3 | Low | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.4 | -31.7 | 172.5 | -75.8 | -179.1 | 0 | 0 | 0 | 112.3 | L246 T280 R294 A295 L298 V327 | L246-L289 HydrophobicContact CD2-CD2 4.38Å; T280-L289 HydrophobicContact CG2-CD1 3.91Å; T280-L289 HydrophobicContact CG2-CD2 4.34Å; T280-L289 HydrophobicContact CG2-CG 4.15Å; T280-L289 WeakPolarHBondContact OG1-CD1 3.33Å; L289-R294 HydrophobicContact CD2-CB 4.37Å; L289-R294 PolarHBondContact O-N 3.35Å; L289-A295 HydrophobicContact CB-CB 4.18Å; L289-A295 PolarHBondContact O-N 3.31Å; L289-L298 HydrophobicContact CD2-CD1 4.44Å; L289-V327 HydrophobicContact CB-CG1 4.23Å; L289-V327 HydrophobicContact CD1-CG1 4.03Å |
| 290 | R | 63.8 | Low | 65.9 | Low | 118 Ų | 118 | 62 Ų | 62 | 45% | 0.445 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -74.8 | -38.2 | 176.4 | -69.2 | 175.8 | -173.9 | 135.9 | -5.2 | 112.6 | A286 A287 Q288 F292 N293 V327 | A286-R290 VanDerWaalsContact O-CG 3.3Å; A286-R290 WeakPolarHBondContact O-CG 3.02Å; A286-R290 PolarHBondContact O-N 3.47Å; A287-R290 PolarHBondContact O-N 3.26Å; Q288-R290 VanDerWaalsContact C-N 3.3Å; R290-F292 PolarHBondContact O-N 2.91Å; R290-N293 PolarHBondContact O-N 3.23Å; R290-V327 PolarHBondContact NE-O 2.99Å; R290-V327 PolarHBondContact NH2-O 2.87Å |
| 291 | Q | 60.8 | Low | 66.8 | Low | 144 Ų | 144 | 62 Ų | 62 | 67% | 0.673 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -60.9 | -29.9 | -174.2 | -176.2 | 175.3 | 1.1 | 0 | 0 | 113.2 | A287 | A287-Q291 VanDerWaalsContact O-CB 3.27Å; A287-Q291 WeakPolarHBondContact O-CB 2.99Å; A287-Q291 PolarHBondContact O-N 2.84Å |
| 292 | F | 59.5 | Low | 68.3 | Low | 118 Ų | 118 | 58.8 Ų | 58.8 | 52% | 0.518 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 15.2 | -179.7 | -64.5 | -73.7 | 0 | 0 | 0 | 113.9 | R290 R294 | R290-F292 PolarHBondContact O-N 2.91Å; F292-R294 HydrophobicContact CB-CG 3.79Å; F292-R294 PolarHBondContact O-N 3.33Å |
| 293 | N | 68.4 | Low | 69.9 | Low | 108 Ų | 108 | 55.2 Ų | 55.2 | 58% | 0.578 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 20.8 | -175.3 | -156.8 | 38 | 0 | 0 | 0 | 114.2 | R290 E296 V297 | R290-N293 PolarHBondContact O-N 3.23Å; N293-E296 WeakPolarHBondContact O-CB 3.47Å; N293-E296 PolarHBondContact O-N 3.41Å; N293-E296 VanDerWaalsContact OD1-CB 3.32Å; N293-E296 WeakPolarHBondContact OD1-CB 3.35Å; N293-V297 PolarHBondContact O-N 3.2Å |
| 294 | R | 72.1 | Confident | 71.7 | Confident | 47 Ų | 47 | 56.3 Ų | 56.3 | 18% | 0.177 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -74.4 | -32.6 | -175.5 | -68.5 | 179.8 | -168 | 167.2 | 8.4 | 112 | L289 F292 E296 V297 L298 | L289-R294 HydrophobicContact CD2-CB 4.37Å; L289-R294 PolarHBondContact O-N 3.35Å; F292-R294 HydrophobicContact CB-CG 3.79Å; F292-R294 PolarHBondContact O-N 3.33Å; R294-E296 PolarHBondContact O-N 2.9Å; R294-V297 PolarHBondContact O-N 3.33Å; R294-V297 VanDerWaalsContact O-N 3.17Å; R294-L298 WeakPolarHBondContact O-CG 3.33Å; R294-L298 PolarHBondContact O-N 3.16Å |
| 295 | A | 74.6 | Confident | 73.3 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 2% | 0.017 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.9 | -30.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L289 Y299 L324 L328 | L289-A295 HydrophobicContact CB-CB 4.18Å; L289-A295 PolarHBondContact O-N 3.31Å; A295-Y299 WeakPolarHBondContact O-CB 3.3Å; A295-Y299 PolarHBondContact O-N 3.45Å; A295-L324 HydrophobicContact CB-CD1 4.34Å; A295-L328 HydrophobicContact CB-CD2 3.27Å; A295-L328 HydrophobicContact CB-CG 3.85Å |
| 296 | E | 80.1 | Confident | 74.8 | Confident | 33 Ų | 33 | 51.4 Ų | 51.4 | 15% | 0.154 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -72.4 | -42.2 | 176.1 | -169.2 | 62.2 | -165.8 | 0 | 0 | 112.2 | N293 R294 L298 Y299 Q300 R342 | N293-E296 WeakPolarHBondContact O-CB 3.47Å; N293-E296 PolarHBondContact O-N 3.41Å; N293-E296 VanDerWaalsContact OD1-CB 3.32Å; N293-E296 WeakPolarHBondContact OD1-CB 3.35Å; R294-E296 PolarHBondContact O-N 2.9Å; E296-L298 VanDerWaalsContact C-N 3.31Å; E296-L298 PolarHBondContact O-N 3.36Å; E296-Y299 WeakPolarHBondContact O-CB 3.27Å; E296-Y299 PolarHBondContact O-N 2.77Å; E296-Q300 WeakPolarHBondContact O-CG 3.39Å; E296-Q300 PolarHBondContact O-N 2.97Å; E296-R342 IonicContact OE1-NE 3.88Å; E296-R342 IonicContact OE1-NH2 3.68Å; E296-R342 PolarHBondContact OE1-NH2 3.28Å; E296-R342 IonicContact OE2-CZ 3.16Å; E296-R342 IonicContact OE2-NE 2.79Å; E296-R342 PolarHBondContact OE2-NE 2.89Å; E296-R342 IonicContact OE2-NH2 3.82Å; E296-R342 PolarHBondContact OE2-NH2 3.16Å |
| 297 | V | 79.8 | Confident | 76 | Confident | 57 Ų | 57 | 56.8 Ų | 56.8 | 35% | 0.345 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 175.3 | -179.7 | 0 | 0 | 0 | 0 | 110.1 | N293 R294 Y299 Q300 A301 | N293-V297 PolarHBondContact O-N 3.2Å; R294-V297 PolarHBondContact O-N 3.33Å; R294-V297 VanDerWaalsContact O-N 3.17Å; V297-Y299 VanDerWaalsContact C-N 3.33Å; V297-Y299 PolarHBondContact O-N 2.81Å; V297-Q300 PolarHBondContact O-N 3.12Å; V297-A301 VanDerWaalsContact O-CB 3.29Å; V297-A301 WeakPolarHBondContact O-CB 3.45Å; V297-A301 PolarHBondContact O-N 3.44Å |
| 298 | L | 80.4 | Confident | 77 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.8 | -41 | 174.8 | -69.2 | 177.3 | 0 | 0 | 0 | 112.2 | V250 L273 L289 R294 E296 A301 L302 L324 | V250-L298 HydrophobicContact CG1-CD2 3.6Å; V250-L298 HydrophobicContact CG1-CG 4.06Å; V250-L298 HydrophobicContact CG2-CD2 4.43Å; L273-L298 HydrophobicContact CD1-CD2 4.13Å; L273-L298 HydrophobicContact CD2-CD2 3.37Å; L273-L298 HydrophobicContact CG-CD2 4.25Å; L289-L298 HydrophobicContact CD2-CD1 4.44Å; R294-L298 WeakPolarHBondContact O-CG 3.33Å; R294-L298 PolarHBondContact O-N 3.16Å; E296-L298 VanDerWaalsContact C-N 3.31Å; E296-L298 PolarHBondContact O-N 3.36Å; L298-A301 WeakPolarHBondContact O-CB 3.42Å; L298-A301 PolarHBondContact O-N 3.41Å; L298-L302 WeakPolarHBondContact O-CB 3.42Å; L298-L302 VanDerWaalsContact O-CG 3.31Å; L298-L302 WeakPolarHBondContact O-CG 3.32Å; L298-L302 PolarHBondContact O-N 3.18Å; L298-L324 HydrophobicContact CB-CD1 4.39Å; L298-L324 HydrophobicContact CB-CD2 3.81Å; L298-L324 HydrophobicContact CD1-CD1 4.43Å |
| 299 | Y | 85.1 | Confident | 77.8 | Confident | 17 Ų | 17 | 56.7 Ų | 56.7 | 7% | 0.067 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.3 | -49.6 | 176.5 | 173.6 | -102.9 | 0 | 0 | 0 | 111.2 | A295 E296 V297 A301 L302 F303 L321 L325 L328 R342 V346 | A295-Y299 WeakPolarHBondContact O-CB 3.3Å; A295-Y299 PolarHBondContact O-N 3.45Å; E296-Y299 WeakPolarHBondContact O-CB 3.27Å; E296-Y299 PolarHBondContact O-N 2.77Å; V297-Y299 VanDerWaalsContact C-N 3.33Å; V297-Y299 PolarHBondContact O-N 2.81Å; Y299-A301 VanDerWaalsContact C-N 3.31Å; Y299-A301 PolarHBondContact O-N 2.81Å; Y299-L302 PolarHBondContact O-N 3.13Å; Y299-F303 HydrophobicContact CE1-CD2 4.37Å; Y299-F303 HydrophobicContact CE2-CD2 4.16Å; Y299-F303 AromaticContact CZ-CD2 3.75Å; Y299-F303 WeakPolarHBondContact O-CB 3.39Å; Y299-F303 PolarHBondContact O-N 2.71Å; Y299-F303 WeakPolarHBondContact OH-CD2 3.21Å; Y299-L321 HydrophobicContact CD2-CD2 4.04Å; Y299-L321 HydrophobicContact CE2-CD2 4.35Å; Y299-L325 HydrophobicContact CD2-CD2 4.29Å; Y299-L325 HydrophobicContact CE2-CD2 4.13Å; Y299-L328 HydrophobicContact CD2-CD1 4.21Å; Y299-L328 HydrophobicContact CG-CD1 4.18Å; Y299-R342 HydrophobicContact CE1-CG 4.09Å; Y299-R342 HydrophobicContact CE2-CB 3.87Å; Y299-R342 HydrophobicContact CE2-CG 4.21Å; Y299-V346 HydrophobicContact CE2-CG2 3.82Å |
| 300 | Q | 85.8 | Confident | 78.9 | Confident | 112 Ų | 112 | 60.2 Ų | 60.2 | 52% | 0.523 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.9 | -40.7 | 178.3 | -69.5 | 178.5 | 2.4 | 0 | 0 | 111.7 | E296 V297 F303 R304 | E296-Q300 WeakPolarHBondContact O-CG 3.39Å; E296-Q300 PolarHBondContact O-N 2.97Å; V297-Q300 PolarHBondContact O-N 3.12Å; Q300-F303 PolarHBondContact O-N 3.41Å; Q300-R304 WeakPolarHBondContact O-CG 3.24Å; Q300-R304 PolarHBondContact O-N 3.27Å; Q300-R304 VanDerWaalsContact O-N 3.15Å |
| 301 | A | 82.4 | Confident | 80 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -54.7 | -56.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | N254 L273 V297 L298 Y299 F303 R304 H305 | N254-A301 HydrophobicContact CB-CB 4.38Å; N254-A301 WeakPolarHBondContact OD1-CA 3.37Å; N254-A301 WeakPolarHBondContact OD1-CB 3.47Å; L273-A301 HydrophobicContact CD1-CB 4.27Å; V297-A301 VanDerWaalsContact O-CB 3.29Å; V297-A301 WeakPolarHBondContact O-CB 3.45Å; V297-A301 PolarHBondContact O-N 3.44Å; L298-A301 WeakPolarHBondContact O-CB 3.42Å; L298-A301 PolarHBondContact O-N 3.41Å; Y299-A301 VanDerWaalsContact C-N 3.31Å; Y299-A301 PolarHBondContact O-N 2.81Å; A301-F303 PolarHBondContact O-N 3.1Å; A301-R304 PolarHBondContact O-N 2.96Å; A301-H305 PolarHBondContact O-CD2 3.29Å |
| 302 | L | 85.8 | Confident | 81.1 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.9 | -35.4 | -177.6 | -67.3 | 168.8 | 0 | 0 | 0 | 112.2 | V270 L273 L298 Y299 R304 H305 V317 C320 L321 L324 | V270-L302 HydrophobicContact CG1-CD2 4.06Å; L273-L302 HydrophobicContact CD1-CD2 4Å; L273-L302 HydrophobicContact CD1-CG 4.24Å; L298-L302 WeakPolarHBondContact O-CB 3.42Å; L298-L302 VanDerWaalsContact O-CG 3.31Å; L298-L302 WeakPolarHBondContact O-CG 3.32Å; L298-L302 PolarHBondContact O-N 3.18Å; Y299-L302 PolarHBondContact O-N 3.13Å; L302-R304 VanDerWaalsContact C-N 3.27Å; L302-R304 PolarHBondContact O-N 3.04Å; L302-H305 PolarHBondContact O-N 2.89Å; L302-H305 VanDerWaalsContact O-N 3.09Å; L302-V317 HydrophobicContact CB-CG1 4.48Å; L302-V317 WeakPolarHBondContact O-CG1 3.33Å; L302-C320 HydrophobicContact CD1-CB 4.25Å; L302-C320 WeakPolarHBondContact CD1-SG 3.18Å; L302-C320 HydrophobicContact CD2-CB 4.35Å; L302-L321 HydrophobicContact CB-CD1 4.48Å; L302-L321 HydrophobicContact CB-CD2 3.64Å; L302-L321 HydrophobicContact CB-CG 3.9Å; L302-L321 HydrophobicContact CD1-CD2 4.1Å; L302-L321 HydrophobicContact CD1-CG 4.37Å; L302-L324 HydrophobicContact CD1-CD2 3.77Å |
| 303 | F | 87.7 | Confident | 82.3 | Confident | 45 Ų | 45 | 46.5 Ų | 46.5 | 20% | 0.197 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.4 | -34.5 | 178.5 | -165.7 | -90.1 | 0 | 0 | 0 | 111.8 | Y299 Q300 A301 H305 L306 Y307 D345 V346 L349 | Y299-F303 HydrophobicContact CE1-CD2 4.37Å; Y299-F303 HydrophobicContact CE2-CD2 4.16Å; Y299-F303 AromaticContact CZ-CD2 3.75Å; Y299-F303 WeakPolarHBondContact O-CB 3.39Å; Y299-F303 PolarHBondContact O-N 2.71Å; Y299-F303 WeakPolarHBondContact OH-CD2 3.21Å; Q300-F303 PolarHBondContact O-N 3.41Å; A301-F303 PolarHBondContact O-N 3.1Å; F303-H305 VanDerWaalsContact C-N 3.29Å; F303-H305 PolarHBondContact O-N 2.68Å; F303-L306 HydrophobicContact CD2-CD1 3.87Å; F303-L306 HydrophobicContact CE2-CD1 4.14Å; F303-L306 HydrophobicContact CG-CD1 4.36Å; F303-L306 WeakPolarHBondContact O-CB 3.47Å; F303-L306 PolarHBondContact O-N 2.99Å; F303-Y307 HydrophobicContact CE1-CE2 4.48Å; F303-D345 HydrophobicContact CE2-CB 4.37Å; F303-V346 HydrophobicContact CD2-CG2 3.97Å; F303-V346 HydrophobicContact CE2-CG2 4.02Å; F303-L349 HydrophobicContact CD1-CD2 4.4Å; F303-L349 HydrophobicContact CE1-CD2 3.71Å; F303-L349 HydrophobicContact CE2-CD2 4.09Å; F303-L349 HydrophobicContact CZ-CB 4.25Å; F303-L349 HydrophobicContact CZ-CD2 3.53Å; F303-L349 HydrophobicContact CZ-CG 4.49Å |
| 304 | R | 86.4 | Confident | 83.2 | Confident | 107 Ų | 107 | 41.3 Ų | 41.3 | 40% | 0.404 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.4 | -35 | 172.9 | -71.8 | -174.7 | -65.5 | 164.6 | 1.8 | 112.5 | N254 D259 Q300 A301 L302 L306 Y307 | N254-R304 PolarHBondContact OD1-NH2 3.03Å; D259-R304 VanDerWaalsContact CG-NH1 3.29Å; D259-R304 IonicContact OD1-CZ 3.68Å; D259-R304 VanDerWaalsContact OD1-CZ 3.31Å; D259-R304 IonicContact OD1-NH1 2.85Å; D259-R304 PolarHBondContact OD1-NH1 3.23Å; D259-R304 IonicContact OD1-NH2 2.8Å; D259-R304 PolarHBondContact OD1-NH2 2.93Å; D259-R304 IonicContact OD2-CZ 2.84Å; D259-R304 IonicContact OD2-NH1 3.7Å; D259-R304 PolarHBondContact OD2-NH1 3.4Å; D259-R304 IonicContact OD2-NH2 3.89Å; D259-R304 PolarHBondContact OD2-NH2 3.24Å; Q300-R304 WeakPolarHBondContact O-CG 3.24Å; Q300-R304 PolarHBondContact O-N 3.27Å; Q300-R304 VanDerWaalsContact O-N 3.15Å; A301-R304 PolarHBondContact O-N 2.96Å; L302-R304 VanDerWaalsContact C-N 3.27Å; L302-R304 PolarHBondContact O-N 3.04Å; R304-L306 PolarHBondContact O-N 2.96Å; R304-Y307 WeakPolarHBondContact O-CD2 3.2Å; R304-Y307 PolarHBondContact O-N 3.22Å |
| 305 | H | 84.9 | Confident | 84.1 | Confident | 12 Ų | 12 | 44.5 Ų | 44.5 | 6% | 0.056 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -74.4 | -8.8 | 178.7 | -68.5 | -71.6 | 0 | 0 | 0 | 114.5 | N258 A301 L302 F303 Y307 T308 V317 | N258-H305 WeakPolarHBondContact CB-NE2 3.31Å; N258-H305 PolarHBondContact ND2-NE2 3.01Å; N258-H305 PolarHBondContact O-CE1 3.19Å; A301-H305 PolarHBondContact O-CD2 3.29Å; L302-H305 PolarHBondContact O-N 2.89Å; L302-H305 VanDerWaalsContact O-N 3.09Å; F303-H305 VanDerWaalsContact C-N 3.29Å; F303-H305 PolarHBondContact O-N 2.68Å; H305-Y307 PolarHBondContact O-N 3.16Å; H305-T308 WeakPolarHBondContact O-CB 3.29Å; H305-T308 PolarHBondContact O-N 3.46Å; H305-T308 VanDerWaalsContact O-N 3.12Å; H305-T308 PolarHBondContact O-OG1 3.19Å; H305-V317 HydrophobicContact CB-CG1 4.16Å; H305-V317 HydrophobicContact CB-CG2 3.6Å |
| 306 | L | 86.8 | Confident | 84.8 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -15.1 | 172.2 | -67.1 | 176.9 | 0 | 0 | 0 | 113.2 | F303 R304 L314 V317 L318 L321 V346 L349 H353 | F303-L306 HydrophobicContact CD2-CD1 3.87Å; F303-L306 HydrophobicContact CE2-CD1 4.14Å; F303-L306 HydrophobicContact CG-CD1 4.36Å; F303-L306 WeakPolarHBondContact O-CB 3.47Å; F303-L306 PolarHBondContact O-N 2.99Å; R304-L306 PolarHBondContact O-N 2.96Å; L306-L314 HydrophobicContact CD2-CD1 3.99Å; L306-V317 HydrophobicContact CD2-CG1 3.79Å; L306-V317 HydrophobicContact CG-CG1 4.26Å; L306-L318 HydrophobicContact CD2-CD2 3.71Å; L306-L318 HydrophobicContact CD2-CG 4.36Å; L306-L321 HydrophobicContact CD1-CD1 3.78Å; L306-L321 HydrophobicContact CD2-CD1 3.82Å; L306-L321 HydrophobicContact CG-CD1 3.94Å; L306-V346 HydrophobicContact CD1-CG1 4.22Å; L306-L349 HydrophobicContact CB-CD2 3.82Å; L306-L349 HydrophobicContact CD1-CD2 3.88Å; L306-H353 PolarHBondContact O-CE1 3.2Å; L306-H353 PolarHBondContact O-ND1 3.2Å |
| 307 | Y | 85.8 | Confident | 85.2 | Confident | 143 Ų | 143 | 44.4 Ų | 44.4 | 56% | 0.561 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -4.6 | 174.9 | -63.5 | -85.2 | 0 | 0 | 0 | 113.3 | F303 R304 H305 L349 H353 | F303-Y307 HydrophobicContact CE1-CE2 4.48Å; R304-Y307 WeakPolarHBondContact O-CD2 3.2Å; R304-Y307 PolarHBondContact O-N 3.22Å; H305-Y307 PolarHBondContact O-N 3.16Å; Y307-L349 HydrophobicContact CE1-CD1 4.02Å; Y307-L349 HydrophobicContact CE1-CD2 4.48Å; Y307-L349 HydrophobicContact CE2-CD2 3.91Å; Y307-H353 AromaticContact CD1-CE1 3.76Å; Y307-H353 AromaticContact CD1-NE2 3.83Å; Y307-H353 AromaticContact CE1-NE2 3.86Å |
| 308 | T | 82.1 | Confident | 85.8 | Confident | 44 Ų | 44 | 41.8 Ų | 41.8 | 27% | 0.27 | 21% | 0.212 | S | C | . | . | trans | -70.3 | 146.6 | 178.1 | -54.5 | 0 | 0 | 0 | 0 | 111.1 | H305 E310 D313 | H305-T308 WeakPolarHBondContact O-CB 3.29Å; H305-T308 PolarHBondContact O-N 3.46Å; H305-T308 VanDerWaalsContact O-N 3.12Å; H305-T308 PolarHBondContact O-OG1 3.19Å; T308-E310 HydrophobicContact CG2-CB 4.1Å; T308-E310 HydrophobicContact CG2-CG 4.28Å; T308-D313 HydrophobicContact CG2-CB 4.44Å | ||
| 309 | S | 79.5 | Confident | 86.3 | Confident | 77 Ų | 77 | 43.8 Ų | 43.8 | 54% | 0.538 | 23% | 0.226 | S | C | . | . | trans | -95.6 | 4.8 | -178.8 | -69.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 310 | E | 85.8 | Confident | 86.5 | Confident | 80 Ų | 80 | 43 Ų | 43 | 37% | 0.374 | 22% | 0.222 | S | C | . | . | trans | -97.2 | 127.8 | -176.8 | -62.9 | -165.5 | -171.9 | 0 | 0 | 111 | P263 T308 D313 L314 | P263-E310 VanDerWaalsContact CB-OE1 3.31Å; P263-E310 WeakPolarHBondContact CB-OE1 3.44Å; T308-E310 HydrophobicContact CG2-CB 4.1Å; T308-E310 HydrophobicContact CG2-CG 4.28Å; E310-D313 HydrophobicContact CB-CB 4.21Å; E310-L314 VanDerWaalsContact O-CB 3.31Å; E310-L314 WeakPolarHBondContact O-CB 3.31Å; E310-L314 PolarHBondContact O-N 2.95Å; E310-L314 VanDerWaalsContact O-N 3.1Å | ||
| 311 | A | 85.8 | Confident | 86.8 | Confident | 25 Ų | 25 | 37.6 Ų | 37.6 | 21% | 0.207 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70 | -39.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q315 A361 L362 V365 | A311-Q315 WeakPolarHBondContact O-CB 3.47Å; A311-Q315 PolarHBondContact O-N 3.33Å; A311-A361 HydrophobicContact CB-CB 4.03Å; A311-L362 HydrophobicContact CB-CD2 3.95Å; A311-V365 HydrophobicContact CB-CG2 3.96Å |
| 312 | A | 85.5 | Confident | 87.1 | Confident | 62 Ų | 62 | 38 Ų | 38 | 51% | 0.512 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.9 | -45.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q315 L316 | A312-Q315 PolarHBondContact O-N 3.46Å; A312-L316 PolarHBondContact O-N 3Å |
| 313 | D | 82.8 | Confident | 87.2 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.1 | -51.8 | 177.7 | -63 | 26.1 | 0 | 0 | 0 | 110.4 | M267 T308 E310 Q315 L316 V317 | M267-D313 HydrophobicContact CG-CB 4.49Å; M267-D313 WeakPolarHBondContact CG-OD1 3.43Å; T308-D313 HydrophobicContact CG2-CB 4.44Å; E310-D313 HydrophobicContact CB-CB 4.21Å; D313-Q315 VanDerWaalsContact C-N 3.28Å; D313-Q315 PolarHBondContact O-N 3.34Å; D313-L316 PolarHBondContact O-N 2.96Å; D313-L316 VanDerWaalsContact O-N 3.15Å; D313-V317 WeakPolarHBondContact O-CG2 3.31Å; D313-V317 PolarHBondContact O-N 2.72Å |
| 314 | L | 89 | Confident | 87.1 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.1 | -40.3 | -178.4 | 180 | 67.6 | 0 | 0 | 0 | 111.6 | L306 E310 L316 V317 L318 L362 V365 Y366 | L306-L314 HydrophobicContact CD2-CD1 3.99Å; E310-L314 VanDerWaalsContact O-CB 3.31Å; E310-L314 WeakPolarHBondContact O-CB 3.31Å; E310-L314 PolarHBondContact O-N 2.95Å; E310-L314 VanDerWaalsContact O-N 3.1Å; L314-L316 VanDerWaalsContact C-N 3.33Å; L314-L316 PolarHBondContact O-N 2.91Å; L314-V317 PolarHBondContact O-N 3.42Å; L314-L318 HydrophobicContact CD1-CD1 4.14Å; L314-L318 HydrophobicContact CD1-CG 4.14Å; L314-L318 HydrophobicContact CG-CD1 3.9Å; L314-L318 HydrophobicContact CG-CG 4.32Å; L314-L318 WeakPolarHBondContact O-CB 3.39Å; L314-L318 WeakPolarHBondContact O-CG 3.35Å; L314-L318 PolarHBondContact O-N 3.19Å; L314-L362 HydrophobicContact CD2-CD2 3.68Å; L314-V365 HydrophobicContact CB-CG1 4.37Å; L314-V365 HydrophobicContact CD2-CG1 4.07Å; L314-V365 HydrophobicContact CG-CG1 4.09Å; L314-Y366 HydrophobicContact CD1-CE1 4.13Å; L314-Y366 HydrophobicContact CD2-CD1 4.07Å; L314-Y366 HydrophobicContact CD2-CD2 4.37Å; L314-Y366 HydrophobicContact CD2-CE1 3.48Å; L314-Y366 VanDerWaalsContact CD2-CE1 3.48Å; L314-Y366 HydrophobicContact CD2-CE2 3.81Å; L314-Y366 HydrophobicContact CD2-CG 4.47Å; L314-Y366 WeakPolarHBondContact CD2-OH 3.48Å; L314-Y366 HydrophobicContact CG-CE1 4.23Å |
| 315 | Q | 90.8 | Very high | 87.1 | Confident | 113 Ų | 113 | 32.4 Ų | 32.4 | 53% | 0.528 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59 | -46.6 | 177.2 | -176.1 | 177.5 | -8.6 | 0 | 0 | 111.3 | A311 A312 D313 L318 S319 V365 | A311-Q315 WeakPolarHBondContact O-CB 3.47Å; A311-Q315 PolarHBondContact O-N 3.33Å; A312-Q315 PolarHBondContact O-N 3.46Å; D313-Q315 VanDerWaalsContact C-N 3.28Å; D313-Q315 PolarHBondContact O-N 3.34Å; Q315-L318 PolarHBondContact O-N 3.22Å; Q315-S319 PolarHBondContact O-N 3.42Å; Q315-S319 VanDerWaalsContact O-N 3.08Å; Q315-S319 PolarHBondContact O-OG 2.75Å; Q315-V365 HydrophobicContact CB-CG1 3.74Å; Q315-V365 HydrophobicContact CB-CG2 4.18Å; Q315-V365 HydrophobicContact CG-CG1 4.43Å |
| 316 | L | 87.8 | Confident | 87 | Confident | 34 Ų | 34 | 35.7 Ų | 35.7 | 18% | 0.178 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.3 | -39.2 | 179.3 | -175.2 | 71.2 | 0 | 0 | 0 | 112.3 | V270 R271 H274 A312 D313 L314 S319 C320 | V270-L316 HydrophobicContact CB-CD2 3.86Å; V270-L316 HydrophobicContact CG1-CB 4.25Å; V270-L316 HydrophobicContact CG1-CD2 3.57Å; V270-L316 HydrophobicContact CG1-CG 3.68Å; R271-L316 HydrophobicContact CB-CD2 4.16Å; R271-L316 HydrophobicContact CG-CD1 4.5Å; R271-L316 HydrophobicContact CG-CD2 3.3Å; H274-L316 HydrophobicContact CB-CD1 4.5Å; A312-L316 PolarHBondContact O-N 3Å; D313-L316 PolarHBondContact O-N 2.96Å; D313-L316 VanDerWaalsContact O-N 3.15Å; L314-L316 VanDerWaalsContact C-N 3.33Å; L314-L316 PolarHBondContact O-N 2.91Å; L316-S319 WeakPolarHBondContact CA-OG 3.31Å; L316-S319 PolarHBondContact O-N 3.4Å; L316-S319 PolarHBondContact O-OG 3.33Å; L316-C320 VanDerWaalsContact O-CB 3.23Å; L316-C320 WeakPolarHBondContact O-CB 3.23Å; L316-C320 PolarHBondContact O-N 2.88Å |
| 317 | V | 90.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.6 | -45.2 | 176.2 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | V270 L302 H305 L306 D313 L314 C320 L321 | V270-V317 HydrophobicContact CB-CG2 4.42Å; V270-V317 HydrophobicContact CG1-CG2 3.69Å; V270-V317 HydrophobicContact CG2-CG2 3.86Å; L302-V317 HydrophobicContact CB-CG1 4.48Å; L302-V317 WeakPolarHBondContact O-CG1 3.33Å; H305-V317 HydrophobicContact CB-CG1 4.16Å; H305-V317 HydrophobicContact CB-CG2 3.6Å; L306-V317 HydrophobicContact CD2-CG1 3.79Å; L306-V317 HydrophobicContact CG-CG1 4.26Å; D313-V317 WeakPolarHBondContact O-CG2 3.31Å; D313-V317 PolarHBondContact O-N 2.72Å; L314-V317 PolarHBondContact O-N 3.42Å; V317-C320 PolarHBondContact O-N 3.4Å; V317-L321 HydrophobicContact CG1-CD1 3.95Å; V317-L321 HydrophobicContact CG1-CG 4.41Å; V317-L321 WeakPolarHBondContact O-CB 3.35Å; V317-L321 WeakPolarHBondContact O-CG 3.47Å; V317-L321 PolarHBondContact O-N 2.89Å |
| 318 | L | 91.7 | Very high | 86.3 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64 | -43.4 | 178.7 | -70.8 | 171.2 | 0 | 0 | 0 | 111.6 | L306 L314 Q315 L321 L322 V350 V365 Y366 A369 Y373 | L306-L318 HydrophobicContact CD2-CD2 3.71Å; L306-L318 HydrophobicContact CD2-CG 4.36Å; L314-L318 HydrophobicContact CD1-CD1 4.14Å; L314-L318 HydrophobicContact CD1-CG 4.14Å; L314-L318 HydrophobicContact CG-CD1 3.9Å; L314-L318 HydrophobicContact CG-CG 4.32Å; L314-L318 WeakPolarHBondContact O-CB 3.39Å; L314-L318 WeakPolarHBondContact O-CG 3.35Å; L314-L318 PolarHBondContact O-N 3.19Å; Q315-L318 PolarHBondContact O-N 3.22Å; L318-L321 PolarHBondContact O-N 3.39Å; L318-L322 WeakPolarHBondContact O-CG 3.26Å; L318-L322 PolarHBondContact O-N 2.98Å; L318-V350 HydrophobicContact CD2-CG2 3.71Å; L318-V365 HydrophobicContact CD1-CG1 4.09Å; L318-Y366 HydrophobicContact CD1-CD1 4.14Å; L318-Y366 HydrophobicContact CD1-CE1 4.41Å; L318-A369 HydrophobicContact CB-CB 4.23Å; L318-A369 HydrophobicContact CD1-CB 3.82Å; L318-Y373 WeakPolarHBondContact CA-OH 3.34Å; L318-Y373 HydrophobicContact CB-CE2 4.23Å; L318-Y373 HydrophobicContact CD2-CE2 3.91Å; L318-Y373 PolarHBondContact O-OH 3.45Å |
| 319 | S | 91.2 | Very high | 86.2 | Confident | 41 Ų | 41 | 30.2 Ų | 30.2 | 29% | 0.287 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -62.8 | -44.5 | 174.4 | 55.4 | 0 | 0 | 0 | 0 | 112 | Q315 L316 L321 L322 D323 | Q315-S319 PolarHBondContact O-N 3.42Å; Q315-S319 VanDerWaalsContact O-N 3.08Å; Q315-S319 PolarHBondContact O-OG 2.75Å; L316-S319 WeakPolarHBondContact CA-OG 3.31Å; L316-S319 PolarHBondContact O-N 3.4Å; L316-S319 PolarHBondContact O-OG 3.33Å; S319-L321 PolarHBondContact O-N 3.39Å; S319-L322 WeakPolarHBondContact O-CB 3.28Å; S319-L322 PolarHBondContact O-N 3.17Å; S319-D323 PolarHBondContact O-N 3.1Å |
| 320 | C | 89.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.2 | -40.2 | 179.9 | -172.6 | 0 | 0 | 0 | 0 | 112.1 | H274 L302 L316 V317 D323 L324 | H274-C320 VanDerWaalsContact CA-SG 3.5Å; H274-C320 HydrophobicContact CB-CB 3.95Å; L302-C320 HydrophobicContact CD1-CB 4.25Å; L302-C320 WeakPolarHBondContact CD1-SG 3.18Å; L302-C320 HydrophobicContact CD2-CB 4.35Å; L316-C320 VanDerWaalsContact O-CB 3.23Å; L316-C320 WeakPolarHBondContact O-CB 3.23Å; L316-C320 PolarHBondContact O-N 2.88Å; V317-C320 PolarHBondContact O-N 3.4Å; C320-D323 PolarHBondContact O-N 3.17Å; C320-L324 VanDerWaalsContact O-CB 3.31Å; C320-L324 WeakPolarHBondContact O-CB 3.41Å; C320-L324 PolarHBondContact O-N 3.21Å |
| 321 | L | 90.7 | Very high | 84.4 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.7 | -41.7 | 174.3 | -81 | 173.6 | 0 | 0 | 0 | 112.1 | Y299 L302 L306 V317 L318 S319 D323 L324 L325 V346 Y373 | Y299-L321 HydrophobicContact CD2-CD2 4.04Å; Y299-L321 HydrophobicContact CE2-CD2 4.35Å; L302-L321 HydrophobicContact CB-CD1 4.48Å; L302-L321 HydrophobicContact CB-CD2 3.64Å; L302-L321 HydrophobicContact CB-CG 3.9Å; L302-L321 HydrophobicContact CD1-CD2 4.1Å; L302-L321 HydrophobicContact CD1-CG 4.37Å; L306-L321 HydrophobicContact CD1-CD1 3.78Å; L306-L321 HydrophobicContact CD2-CD1 3.82Å; L306-L321 HydrophobicContact CG-CD1 3.94Å; V317-L321 HydrophobicContact CG1-CD1 3.95Å; V317-L321 HydrophobicContact CG1-CG 4.41Å; V317-L321 WeakPolarHBondContact O-CB 3.35Å; V317-L321 WeakPolarHBondContact O-CG 3.47Å; V317-L321 PolarHBondContact O-N 2.89Å; L318-L321 PolarHBondContact O-N 3.39Å; S319-L321 PolarHBondContact O-N 3.39Å; L321-D323 PolarHBondContact O-N 3.35Å; L321-L324 PolarHBondContact O-N 3.25Å; L321-L325 VanDerWaalsContact O-CB 3.23Å; L321-L325 WeakPolarHBondContact O-CB 3.31Å; L321-L325 WeakPolarHBondContact O-CD1 3.46Å; L321-L325 WeakPolarHBondContact O-CG 3.44Å; L321-L325 PolarHBondContact O-N 2.89Å; L321-V346 HydrophobicContact CD1-CG1 4.24Å; L321-V346 HydrophobicContact CD1-CG2 4.38Å; L321-Y373 WeakPolarHBondContact CB-OH 3.35Å |
| 322 | L | 89.3 | Confident | 83 | Confident | 9 Ų | 9 | 39.1 Ų | 39.1 | 5% | 0.047 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.8 | -38.2 | 176 | -79.6 | 170.5 | 0 | 0 | 0 | 112.5 | L318 S319 L372 Y373 R376 | L318-L322 WeakPolarHBondContact O-CG 3.26Å; L318-L322 PolarHBondContact O-N 2.98Å; S319-L322 WeakPolarHBondContact O-CB 3.28Å; S319-L322 PolarHBondContact O-N 3.17Å; L322-L372 HydrophobicContact CD1-CB 3.77Å; L322-L372 HydrophobicContact CD1-CD1 3.85Å; L322-L372 HydrophobicContact CD1-CG 4.49Å; L322-L372 HydrophobicContact CD2-CB 4.41Å; L322-Y373 HydrophobicContact CD1-CD2 4.14Å; L322-Y373 HydrophobicContact CD1-CE2 3.79Å; L322-Y373 HydrophobicContact CD2-CD1 3.6Å; L322-Y373 HydrophobicContact CD2-CD2 3.87Å; L322-Y373 HydrophobicContact CD2-CE1 3.53Å; L322-Y373 HydrophobicContact CD2-CE2 3.81Å; L322-Y373 HydrophobicContact CD2-CG 3.77Å; L322-Y373 HydrophobicContact CG-CD1 4.38Å; L322-Y373 HydrophobicContact CG-CD2 4.12Å; L322-Y373 HydrophobicContact CG-CE1 3.89Å; L322-Y373 HydrophobicContact CG-CE2 3.6Å; L322-Y373 HydrophobicContact CG-CG 4.49Å; L322-Y373 VanDerWaalsContact CG-CZ 3.5Å; L322-R376 HydrophobicContact CD2-CG 4.24Å; L322-R376 PolarHBondContact O-NH1 3.39Å |
| 323 | D | 88.1 | Confident | 81.3 | Confident | 34 Ų | 34 | 39.7 Ų | 39.7 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -76.1 | -45.6 | 178.8 | -67.9 | -27.8 | 0 | 0 | 0 | 111.4 | H274 V277 L281 S319 C320 L321 L325 L326 | H274-D323 IonicContact CD2-OD2 2.68Å; H274-D323 IonicContact CE1-OD2 3.91Å; H274-D323 IonicContact NE2-OD2 2.67Å; H274-D323 PolarHBondContact NE2-OD2 3.34Å; V277-D323 HydrophobicContact CG1-CB 3.69Å; L281-D323 HydrophobicContact CD1-CB 3.76Å; S319-D323 PolarHBondContact O-N 3.1Å; C320-D323 PolarHBondContact O-N 3.17Å; L321-D323 PolarHBondContact O-N 3.35Å; D323-L325 VanDerWaalsContact C-N 3.3Å; D323-L325 PolarHBondContact O-N 3Å; D323-L326 WeakPolarHBondContact O-CB 3.27Å; D323-L326 PolarHBondContact O-N 3.1Å; D323-L326 VanDerWaalsContact O-N 3.16Å |
| 324 | L | 86.6 | Confident | 79.8 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.9 | -37.1 | 178.5 | 178.5 | 63 | 0 | 0 | 0 | 112 | V277 A295 L298 L302 C320 L321 L326 V327 L328 | V277-L324 HydrophobicContact CG1-CB 4.21Å; V277-L324 HydrophobicContact CG2-CB 4.24Å; V277-L324 HydrophobicContact CG2-CD1 4.14Å; A295-L324 HydrophobicContact CB-CD1 4.34Å; L298-L324 HydrophobicContact CB-CD1 4.39Å; L298-L324 HydrophobicContact CB-CD2 3.81Å; L298-L324 HydrophobicContact CD1-CD1 4.43Å; L302-L324 HydrophobicContact CD1-CD2 3.77Å; C320-L324 VanDerWaalsContact O-CB 3.31Å; C320-L324 WeakPolarHBondContact O-CB 3.41Å; C320-L324 PolarHBondContact O-N 3.21Å; L321-L324 PolarHBondContact O-N 3.25Å; L324-L326 PolarHBondContact O-N 3.26Å; L324-V327 CarbonylContact O-C 3.48Å; L324-V327 WeakPolarHBondContact O-CA 3.41Å; L324-V327 VanDerWaalsContact O-CB 3.29Å; L324-V327 WeakPolarHBondContact O-CB 3.4Å; L324-V327 PolarHBondContact O-N 3.44Å; L324-L328 HydrophobicContact CD1-CD1 4.33Å; L324-L328 HydrophobicContact CD1-CG 4.48Å; L324-L328 HydrophobicContact CD2-CD1 4.18Å; L324-L328 HydrophobicContact CG-CD1 3.86Å; L324-L328 HydrophobicContact CG-CG 4.42Å; L324-L328 PolarHBondContact O-N 2.89Å |
| 325 | L | 85.9 | Confident | 77.6 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.9 | -25.1 | 179.1 | -74.2 | 172.7 | 0 | 0 | 0 | 112.7 | Y299 L321 D323 V327 L328 E329 R342 V346 Y373 | Y299-L325 HydrophobicContact CD2-CD2 4.29Å; Y299-L325 HydrophobicContact CE2-CD2 4.13Å; L321-L325 VanDerWaalsContact O-CB 3.23Å; L321-L325 WeakPolarHBondContact O-CB 3.31Å; L321-L325 WeakPolarHBondContact O-CD1 3.46Å; L321-L325 WeakPolarHBondContact O-CG 3.44Å; L321-L325 PolarHBondContact O-N 2.89Å; D323-L325 VanDerWaalsContact C-N 3.3Å; D323-L325 PolarHBondContact O-N 3Å; L325-V327 VanDerWaalsContact C-N 3.28Å; L325-L328 PolarHBondContact O-N 3.08Å; L325-E329 WeakPolarHBondContact O-CB 3.33Å; L325-E329 PolarHBondContact O-N 3.46Å; L325-R342 HydrophobicContact CD2-CB 3.55Å; L325-V346 HydrophobicContact CD1-CG2 4.3Å; L325-Y373 HydrophobicContact CD1-CE1 4.4Å |
| 326 | L | 83.3 | Confident | 75.5 | Confident | 80 Ų | 80 | 53.5 Ų | 53.5 | 42% | 0.419 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.5 | -31.3 | 169.3 | -65.4 | 173.7 | 0 | 0 | 0 | 112.1 | D323 L324 R376 | D323-L326 WeakPolarHBondContact O-CB 3.27Å; D323-L326 PolarHBondContact O-N 3.1Å; D323-L326 VanDerWaalsContact O-N 3.16Å; L324-L326 PolarHBondContact O-N 3.26Å; L326-R376 VanDerWaalsContact CD2-NH1 3.3Å |
| 327 | V | 79.4 | Confident | 73.9 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.012 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -76.6 | -37.7 | 173.4 | -173.1 | 0 | 0 | 0 | 0 | 110.6 | L281 A286 L289 R290 L324 L325 | L281-V327 HydrophobicContact CD1-CG2 4.46Å; L281-V327 HydrophobicContact CD2-CG2 3.34Å; L281-V327 HydrophobicContact CG-CG2 3.77Å; A286-V327 HydrophobicContact CB-CG1 3.99Å; L289-V327 HydrophobicContact CB-CG1 4.23Å; L289-V327 HydrophobicContact CD1-CG1 4.03Å; R290-V327 PolarHBondContact NE-O 2.99Å; R290-V327 PolarHBondContact NH2-O 2.87Å; L324-V327 CarbonylContact O-C 3.48Å; L324-V327 WeakPolarHBondContact O-CA 3.41Å; L324-V327 VanDerWaalsContact O-CB 3.29Å; L324-V327 WeakPolarHBondContact O-CB 3.4Å; L324-V327 PolarHBondContact O-N 3.44Å; L325-V327 VanDerWaalsContact C-N 3.28Å |
| 328 | L | 78.3 | Confident | 72.6 | Confident | 30 Ų | 30 | 68 Ų | 68 | 16% | 0.157 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -79.8 | -45.8 | -174.9 | -79.7 | 167.1 | 0 | 0 | 0 | 113.1 | A295 Y299 L324 L325 | A295-L328 HydrophobicContact CB-CD2 3.27Å; A295-L328 HydrophobicContact CB-CG 3.85Å; Y299-L328 HydrophobicContact CD2-CD1 4.21Å; Y299-L328 HydrophobicContact CG-CD1 4.18Å; L324-L328 HydrophobicContact CD1-CD1 4.33Å; L324-L328 HydrophobicContact CD1-CG 4.48Å; L324-L328 HydrophobicContact CD2-CD1 4.18Å; L324-L328 HydrophobicContact CG-CD1 3.86Å; L324-L328 HydrophobicContact CG-CG 4.42Å; L324-L328 PolarHBondContact O-N 2.89Å; L325-L328 PolarHBondContact O-N 3.08Å |
| 329 | E | 78.6 | Confident | 71.6 | Confident | 41 Ų | 41 | 76.4 Ų | 76.4 | 19% | 0.192 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -105.3 | 145.8 | -170.6 | -60.1 | -67.1 | 164.4 | 0 | 0 | 110.4 | L325 R342 | L325-E329 WeakPolarHBondContact O-CB 3.33Å; L325-E329 PolarHBondContact O-N 3.46Å; E329-R342 WeakPolarHBondContact OE1-CG 3.43Å; E329-R342 IonicContact OE1-CZ 3.5Å; E329-R342 PolarHBondContact OE1-N 3.29Å; E329-R342 IonicContact OE1-NH1 3.73Å; E329-R342 PolarHBondContact OE1-NH1 3.49Å |
| 330 | K | 67.9 | Low | 70.9 | Confident | 183 Ų | 183 | 79.3 Ų | 79.3 | 80% | 0.796 | 40% | 0.401 | S | S | * | . | trans | -70.3 | 146.5 | 171.4 | -71.4 | 178.9 | -179.3 | 178.6 | 0 | 109 | ||||
| 331 | P | 60.4 | Low | 70.5 | Confident | 109 Ų | 109 | 81 Ų | 81 | 71% | 0.708 | 41% | 0.412 | S | S | * | . | trans | -56.4 | 147 | 174.6 | 25 | -33.7 | 0 | 0 | 0 | 109.4 | S333 | P331-S333 PolarHBondContact O-N 2.84Š| ||
| 332 | P | 56.5 | Low | 70.3 | Confident | 78 Ų | 78 | 84.4 Ų | 84.4 | 51% | 0.506 | 43% | 0.425 | S | S | . | . | trans | -57.3 | 92.4 | -175.8 | 17.3 | -29 | 0 | 0 | 0 | 111.9 | ||||
| 333 | S | 50.3 | Low | 70.2 | Confident | 74 Ų | 74 | 84.8 Ų | 84.8 | 52% | 0.517 | 43% | 0.427 | S | S | . | . | trans | -69.9 | 141.1 | 174.5 | 72.1 | 0 | 0 | 0 | 0 | 110 | P331 Y335 R338 | P331-S333 PolarHBondContact O-N 2.84Å; S333-Y335 PolarHBondContact O-N 3.29Å; S333-R338 PolarHBondContact O-NH2 3.02Å | ||
| 334 | S | 49.9 | Very low | 70.2 | Confident | 102 Ų | 102 | 83.5 Ų | 83.5 | 71% | 0.713 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -5.4 | -168.9 | -169.8 | 0 | 0 | 0 | 0 | 114.6 | ||
| 335 | Y | 44.3 | Very low | 70.4 | Confident | 212 Ų | 212 | 87.2 Ų | 87.2 | 83% | 0.831 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.6 | 0.8 | -159.5 | -65.7 | -74.9 | 0 | 0 | 0 | 116.2 | S333 | S333-Y335 PolarHBondContact O-N 3.29Š|
| 336 | C | 45.3 | Very low | 70.7 | Confident | 92 Ų | 92 | 87.2 Ų | 87.2 | 62% | 0.622 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -124.5 | 139.8 | -176 | -65.2 | 0 | 0 | 0 | 0 | 112.7 | R338 | C336-R338 PolarHBondContact O-N 2.71Š|
| 337 | R | 53.8 | Low | 71.2 | Confident | 252 Ų | 252 | 83.5 Ų | 83.5 | 95% | 0.951 | 42% | 0.42 | S | S | * | . | trans | -51.7 | 104.4 | 164.9 | -82.4 | -173.7 | -178.3 | -169.4 | 1.6 | 108.2 | K339 | R337-K339 PolarHBondContact O-N 3.24Š| ||
| 338 | R | 63.4 | Low | 71.9 | Confident | 87 Ų | 87 | 87.5 Ų | 87.5 | 33% | 0.328 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 128.2 | 179.4 | -69.1 | -171.1 | -176 | 146.2 | 18.5 | 108.6 | S333 C336 V377 R383 | S333-R338 PolarHBondContact O-NH2 3.02Å; C336-R338 PolarHBondContact O-N 2.71Å; R338-V377 PolarHBondContact NH1-O 3.05Å; R338-R383 PolarHBondContact O-NH2 3.35Å |
| 339 | K | 70.6 | Confident | 72.6 | Confident | 179 Ų | 179 | 86.9 Ų | 86.9 | 78% | 0.778 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 161.5 | 158.5 | -68.4 | -179.5 | 178.8 | -179.6 | 0 | 108.2 | R337 C341 R383 | R337-K339 PolarHBondContact O-N 3.24Å; K339-C341 PolarHBondContact O-N 3.12Å; K339-R383 PolarHBondContact O-NH1 3Å |
| 340 | P | 76.5 | Confident | 73.4 | Confident | 102 Ų | 102 | 85.1 Ų | 85.1 | 66% | 0.662 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -52.2 | 133.9 | 164.4 | -23.4 | 34.5 | 0 | 0 | 0 | 109.5 | D344 | P340-D344 WeakPolarHBondContact CA-OD2 3.34Š|
| 341 | C | 81.8 | Confident | 74.7 | Confident | 35 Ų | 35 | 76.4 Ų | 76.4 | 24% | 0.236 | 39% | 0.39 | C | S | . | . | trans | -124.1 | 171.6 | 177.4 | 67.3 | 0 | 0 | 0 | 0 | 110.7 | K339 H343 D344 D345 | K339-C341 PolarHBondContact O-N 3.12Å; C341-H343 PolarHBondContact O-N 3.3Å; C341-H343 VanDerWaalsContact O-N 3.08Å; C341-D344 PolarHBondContact N-OD2 3.26Å; C341-D344 WeakPolarHBondContact O-CA 3.34Å; C341-D344 VanDerWaalsContact O-CB 3.27Å; C341-D344 WeakPolarHBondContact O-CB 3.37Å; C341-D344 PolarHBondContact O-N 3.47Å; C341-D345 PolarHBondContact O-N 3.4Å | ||
| 342 | R | 85.9 | Confident | 76.3 | Confident | 71 Ų | 71 | 73.1 Ų | 73.1 | 27% | 0.268 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59 | -26.1 | -177.8 | -67.4 | 177.4 | -175.9 | 73.9 | 2.3 | 114 | E296 Y299 L325 E329 D344 D345 V346 | E296-R342 IonicContact OE1-NE 3.88Å; E296-R342 IonicContact OE1-NH2 3.68Å; E296-R342 PolarHBondContact OE1-NH2 3.28Å; E296-R342 IonicContact OE2-CZ 3.16Å; E296-R342 IonicContact OE2-NE 2.79Å; E296-R342 PolarHBondContact OE2-NE 2.89Å; E296-R342 IonicContact OE2-NH2 3.82Å; E296-R342 PolarHBondContact OE2-NH2 3.16Å; Y299-R342 HydrophobicContact CE1-CG 4.09Å; Y299-R342 HydrophobicContact CE2-CB 3.87Å; Y299-R342 HydrophobicContact CE2-CG 4.21Å; L325-R342 HydrophobicContact CD2-CB 3.55Å; E329-R342 WeakPolarHBondContact OE1-CG 3.43Å; E329-R342 IonicContact OE1-CZ 3.5Å; E329-R342 PolarHBondContact OE1-N 3.29Å; E329-R342 IonicContact OE1-NH1 3.73Å; E329-R342 PolarHBondContact OE1-NH1 3.49Å; R342-D344 VanDerWaalsContact C-N 3.3Å; R342-D344 PolarHBondContact O-N 3.01Å; R342-D345 PolarHBondContact O-N 3.26Å; R342-V346 WeakPolarHBondContact O-CG2 3.11Å; R342-V346 PolarHBondContact O-N 2.71Å |
| 343 | H | 87.3 | Confident | 78.1 | Confident | 18 Ų | 18 | 71.6 Ų | 71.6 | 8% | 0.083 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.9 | -37.2 | 171.5 | -69.1 | 85.2 | 0 | 0 | 0 | 112.1 | C341 L347 V377 | C341-H343 PolarHBondContact O-N 3.3Å; C341-H343 VanDerWaalsContact O-N 3.08Å; H343-L347 VanDerWaalsContact O-CB 3.25Å; H343-L347 WeakPolarHBondContact O-CB 3.21Å; H343-L347 PolarHBondContact O-N 3.33Å; H343-V377 HydrophobicContact CB-CG2 3.87Å |
| 344 | D | 88.9 | Confident | 80.2 | Confident | 7 Ų | 7 | 68 Ų | 68 | 4% | 0.037 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.2 | -39.3 | 176.1 | -70.5 | -50.5 | 0 | 0 | 0 | 110.9 | P340 C341 R342 H348 R383 H384 | P340-D344 WeakPolarHBondContact CA-OD2 3.34Å; C341-D344 PolarHBondContact N-OD2 3.26Å; C341-D344 WeakPolarHBondContact O-CA 3.34Å; C341-D344 VanDerWaalsContact O-CB 3.27Å; C341-D344 WeakPolarHBondContact O-CB 3.37Å; C341-D344 PolarHBondContact O-N 3.47Å; R342-D344 VanDerWaalsContact C-N 3.3Å; R342-D344 PolarHBondContact O-N 3.01Å; D344-H348 WeakPolarHBondContact O-CB 3.38Å; D344-H348 PolarHBondContact O-N 2.9Å; D344-R383 IonicContact OD2-NH1 2.89Å; D344-R383 PolarHBondContact OD2-NH1 3.12Å; D344-H384 PolarHBondContact O-CE1 2.95Å; D344-H384 VanDerWaalsContact O-CE1 3.23Å; D344-H384 IonicContact OD1-CD2 3.04Å; D344-H384 IonicContact OD1-CE1 3.24Å; D344-H384 IonicContact OD1-NE2 2.71Å; D344-H384 PolarHBondContact OD1-NE2 3.02Å |
| 345 | D | 90.6 | Very high | 82.2 | Confident | 78 Ų | 78 | 68 Ų | 68 | 42% | 0.417 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.5 | -47 | -179.7 | -59.8 | -32.3 | 0 | 0 | 0 | 111.6 | F303 C341 R342 H348 L349 | F303-D345 HydrophobicContact CE2-CB 4.37Å; C341-D345 PolarHBondContact O-N 3.4Å; R342-D345 PolarHBondContact O-N 3.26Å; D345-H348 PolarHBondContact O-N 3.35Å; D345-L349 PolarHBondContact O-N 3.47Å |
| 346 | V | 92.5 | Very high | 84.3 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.8 | -47.8 | 176.3 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | Y299 F303 L306 L321 L325 R342 H348 L349 V350 Y373 | Y299-V346 HydrophobicContact CE2-CG2 3.82Å; F303-V346 HydrophobicContact CD2-CG2 3.97Å; F303-V346 HydrophobicContact CE2-CG2 4.02Å; L306-V346 HydrophobicContact CD1-CG1 4.22Å; L321-V346 HydrophobicContact CD1-CG1 4.24Å; L321-V346 HydrophobicContact CD1-CG2 4.38Å; L325-V346 HydrophobicContact CD1-CG2 4.3Å; R342-V346 WeakPolarHBondContact O-CG2 3.11Å; R342-V346 PolarHBondContact O-N 2.71Å; V346-H348 VanDerWaalsContact C-N 3.31Å; V346-H348 PolarHBondContact O-N 2.87Å; V346-L349 PolarHBondContact O-N 3.09Å; V346-V350 HydrophobicContact CG1-CG2 4.21Å; V346-V350 WeakPolarHBondContact O-CB 3.42Å; V346-V350 VanDerWaalsContact O-CG2 3.29Å; V346-V350 WeakPolarHBondContact O-CG2 3.37Å; V346-V350 PolarHBondContact O-N 3.36Å; V346-Y373 HydrophobicContact CB-CE1 4.4Å; V346-Y373 HydrophobicContact CG1-CD1 4.33Å; V346-Y373 HydrophobicContact CG1-CE1 3.54Å |
| 347 | L | 93.1 | Very high | 86.5 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 178.9 | -178.8 | 59.6 | 0 | 0 | 0 | 111.6 | H343 L351 L370 V377 H384 | H343-L347 VanDerWaalsContact O-CB 3.25Å; H343-L347 WeakPolarHBondContact O-CB 3.21Å; H343-L347 PolarHBondContact O-N 3.33Å; L347-L351 HydrophobicContact CD1-CD1 3.96Å; L347-L351 HydrophobicContact CD1-CD2 4.48Å; L347-L351 HydrophobicContact CD1-CG 3.94Å; L347-L351 HydrophobicContact CG-CD1 3.95Å; L347-L351 HydrophobicContact CG-CG 4.35Å; L347-L351 WeakPolarHBondContact O-CB 3.45Å; L347-L351 WeakPolarHBondContact O-CG 3.5Å; L347-L351 PolarHBondContact O-N 3.49Å; L347-L370 HydrophobicContact CD1-CD1 3.71Å; L347-V377 HydrophobicContact CD2-CB 4.36Å; L347-V377 HydrophobicContact CD2-CG1 4.35Å; L347-V377 HydrophobicContact CD2-CG2 3.92Å; L347-H384 HydrophobicContact CD2-CB 4.31Å |
| 348 | H | 93.2 | Very high | 88.1 | Confident | 87 Ų | 87 | 53.8 Ų | 53.8 | 40% | 0.403 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.6 | -47.5 | 176.4 | -175 | 88.2 | 0 | 0 | 0 | 111.9 | D344 D345 V346 T352 R387 | D344-H348 WeakPolarHBondContact O-CB 3.38Å; D344-H348 PolarHBondContact O-N 2.9Å; D345-H348 PolarHBondContact O-N 3.35Å; V346-H348 VanDerWaalsContact C-N 3.31Å; V346-H348 PolarHBondContact O-N 2.87Å; H348-T352 WeakPolarHBondContact O-CB 3.42Å; H348-T352 PolarHBondContact O-N 3.22Å; H348-T352 PolarHBondContact O-OG1 3.09Å; H348-R387 PolarHBondContact CE1-NE 3.37Å; H348-R387 PolarHBondContact NE2-NE 2.7Å |
| 349 | L | 94.1 | Very high | 89.4 | Confident | 16 Ų | 16 | 54.2 Ų | 54.2 | 8% | 0.084 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.2 | -46.8 | -179.6 | -174.8 | 61.3 | 0 | 0 | 0 | 111.3 | F303 L306 Y307 D345 V346 L351 T352 H353 | F303-L349 HydrophobicContact CD1-CD2 4.4Å; F303-L349 HydrophobicContact CE1-CD2 3.71Å; F303-L349 HydrophobicContact CE2-CD2 4.09Å; F303-L349 HydrophobicContact CZ-CB 4.25Å; F303-L349 HydrophobicContact CZ-CD2 3.53Å; F303-L349 HydrophobicContact CZ-CG 4.49Å; L306-L349 HydrophobicContact CB-CD2 3.82Å; L306-L349 HydrophobicContact CD1-CD2 3.88Å; Y307-L349 HydrophobicContact CE1-CD1 4.02Å; Y307-L349 HydrophobicContact CE1-CD2 4.48Å; Y307-L349 HydrophobicContact CE2-CD2 3.91Å; D345-L349 PolarHBondContact O-N 3.47Å; V346-L349 PolarHBondContact O-N 3.09Å; L349-L351 PolarHBondContact O-N 3.07Å; L349-T352 WeakPolarHBondContact O-CA 3.21Å; L349-T352 VanDerWaalsContact O-CB 3.31Å; L349-T352 WeakPolarHBondContact O-CB 3.12Å; L349-T352 PolarHBondContact O-N 3.21Å; L349-H353 WeakPolarHBondContact CD1-NE2 3.47Å; L349-H353 PolarHBondContact O-N 3.37Å |
| 350 | V | 94.7 | Very high | 90.3 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.03 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.6 | -48.5 | 177 | 168.1 | 0 | 0 | 0 | 0 | 111 | L318 V346 T352 H353 M354 Y366 | L318-V350 HydrophobicContact CD2-CG2 3.71Å; V346-V350 HydrophobicContact CG1-CG2 4.21Å; V346-V350 WeakPolarHBondContact O-CB 3.42Å; V346-V350 VanDerWaalsContact O-CG2 3.29Å; V346-V350 WeakPolarHBondContact O-CG2 3.37Å; V346-V350 PolarHBondContact O-N 3.36Å; V350-T352 PolarHBondContact O-N 3.04Å; V350-H353 PolarHBondContact O-N 3.49Å; V350-M354 HydrophobicContact CG1-CG 4.26Å; V350-M354 HydrophobicContact CG1-SD 3.98Å; V350-M354 WeakPolarHBondContact O-CB 3.5Å; V350-M354 VanDerWaalsContact O-CG 3.26Å; V350-M354 WeakPolarHBondContact O-CG 3.36Å; V350-M354 PolarHBondContact O-N 3.31Å; V350-Y366 HydrophobicContact CG1-CD1 3.76Å; V350-Y366 HydrophobicContact CG1-CE1 4.09Å |
| 351 | L | 95.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.6 | -32.1 | 177.3 | -69.2 | 174.8 | 0 | 0 | 0 | 112.7 | L347 L349 M354 E355 L370 H384 R387 L388 V391 | L347-L351 HydrophobicContact CD1-CD1 3.96Å; L347-L351 HydrophobicContact CD1-CD2 4.48Å; L347-L351 HydrophobicContact CD1-CG 3.94Å; L347-L351 HydrophobicContact CG-CD1 3.95Å; L347-L351 HydrophobicContact CG-CG 4.35Å; L347-L351 WeakPolarHBondContact O-CB 3.45Å; L347-L351 WeakPolarHBondContact O-CG 3.5Å; L347-L351 PolarHBondContact O-N 3.49Å; L349-L351 PolarHBondContact O-N 3.07Å; L351-M354 HydrophobicContact CD2-SD 4.26Å; L351-E355 PolarHBondContact O-N 3.32Å; L351-L370 HydrophobicContact CD2-CD1 4.07Å; L351-L370 HydrophobicContact CD2-CD2 4.38Å; L351-H384 HydrophobicContact CD1-CB 3.91Å; L351-R387 HydrophobicContact CB-CB 4.29Å; L351-R387 HydrophobicContact CD1-CB 4.45Å; L351-L388 HydrophobicContact CD1-CB 4.01Å; L351-L388 HydrophobicContact CD1-CD1 4.48Å; L351-L388 HydrophobicContact CD2-CB 4.46Å; L351-L388 HydrophobicContact CD2-CD1 3.69Å; L351-V391 HydrophobicContact CD2-CB 4.45Å; L351-V391 HydrophobicContact CD2-CG1 4.37Å; L351-V391 HydrophobicContact CD2-CG2 4.32Å |
| 352 | T | 94.5 | Very high | 91.4 | Very high | 40 Ų | 40 | 45.5 Ų | 45.5 | 25% | 0.245 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.6 | -43.9 | 175.8 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | H348 L349 V350 R387 | H348-T352 WeakPolarHBondContact O-CB 3.42Å; H348-T352 PolarHBondContact O-N 3.22Å; H348-T352 PolarHBondContact O-OG1 3.09Å; L349-T352 WeakPolarHBondContact O-CA 3.21Å; L349-T352 VanDerWaalsContact O-CB 3.31Å; L349-T352 WeakPolarHBondContact O-CB 3.12Å; L349-T352 PolarHBondContact O-N 3.21Å; V350-T352 PolarHBondContact O-N 3.04Å; T352-R387 PolarHBondContact OG1-NE 3.28Å; T352-R387 PolarHBondContact OG1-NH1 3.14Å; T352-R387 PolarHBondContact OG1-NH2 3.01Å |
| 353 | H | 93.1 | Very high | 91.7 | Very high | 45 Ų | 45 | 43.5 Ų | 43.5 | 21% | 0.208 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.8 | -42.6 | 176.7 | -66.3 | 178 | 0 | 0 | 0 | 111.2 | L306 Y307 L349 V350 E355 A356 E357 Y366 | L306-H353 PolarHBondContact O-CE1 3.2Å; L306-H353 PolarHBondContact O-ND1 3.2Å; Y307-H353 AromaticContact CD1-CE1 3.76Å; Y307-H353 AromaticContact CD1-NE2 3.83Å; Y307-H353 AromaticContact CE1-NE2 3.86Å; L349-H353 WeakPolarHBondContact CD1-NE2 3.47Å; L349-H353 PolarHBondContact O-N 3.37Å; V350-H353 PolarHBondContact O-N 3.49Å; H353-E355 VanDerWaalsContact C-N 3.28Å; H353-E355 PolarHBondContact O-N 2.89Å; H353-A356 PolarHBondContact O-N 3.42Å; H353-E357 WeakPolarHBondContact O-CB 3.46Å; H353-E357 PolarHBondContact O-N 3.47Å; H353-Y366 HydrophobicContact CB-CE2 4.33Å; H353-Y366 WeakPolarHBondContact CB-OH 3.11Å |
| 354 | M | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.2 | -40.5 | 178 | -75.5 | -177.2 | 81.5 | 0 | 0 | 113 | V350 L351 A356 E357 Y366 L370 V391 Y395 M410 | V350-M354 HydrophobicContact CG1-CG 4.26Å; V350-M354 HydrophobicContact CG1-SD 3.98Å; V350-M354 WeakPolarHBondContact O-CB 3.5Å; V350-M354 VanDerWaalsContact O-CG 3.26Å; V350-M354 WeakPolarHBondContact O-CG 3.36Å; V350-M354 PolarHBondContact O-N 3.31Å; L351-M354 HydrophobicContact CD2-SD 4.26Å; M354-A356 VanDerWaalsContact C-N 3.28Å; M354-A356 PolarHBondContact O-N 2.98Å; M354-E357 PolarHBondContact O-N 2.85Å; M354-Y366 HydrophobicContact CG-CD1 3.96Å; M354-Y366 HydrophobicContact CG-CD2 3.82Å; M354-Y366 HydrophobicContact CG-CG 3.52Å; M354-Y366 HydrophobicContact SD-CG 4.31Å; M354-L370 HydrophobicContact CE-CD2 3.92Å; M354-L370 HydrophobicContact SD-CD2 3.99Å; M354-V391 HydrophobicContact CB-CG1 3.84Å; M354-V391 HydrophobicContact CB-CG2 4.02Å; M354-V391 HydrophobicContact CE-CG1 3.52Å; M354-V391 HydrophobicContact SD-CG1 3.93Å; M354-Y395 WeakPolarHBondContact CA-OH 3.34Å; M354-Y395 HydrophobicContact CB-CE2 4.24Å; M354-Y395 WeakPolarHBondContact CB-OH 3.47Å; M354-Y395 HydrophobicContact CE-CD1 3.93Å; M354-Y395 HydrophobicContact CE-CE1 3.47Å; M354-Y395 VanDerWaalsContact CE-CE1 3.47Å; M354-Y395 HydrophobicContact CE-CE2 4.27Å; M354-Y395 VanDerWaalsContact O-CE2 3.24Å; M354-Y395 WeakPolarHBondContact O-CE2 3.4Å; M354-Y395 PolarHBondContact O-OH 3.47Å; M354-M410 HydrophobicContact CE-CE 4.36Å; M354-M410 HydrophobicContact CE-SD 4.26Å |
| 355 | E | 92.8 | Very high | 92.1 | Very high | 102 Ų | 102 | 47.4 Ų | 47.4 | 48% | 0.477 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.3 | -35.2 | -177.2 | -172.7 | 174.1 | -176.7 | 0 | 0 | 112.9 | L351 H353 R387 V391 | L351-E355 PolarHBondContact O-N 3.32Å; H353-E355 VanDerWaalsContact C-N 3.28Å; H353-E355 PolarHBondContact O-N 2.89Å; E355-R387 IonicContact OE2-NH1 3.71Å; E355-R387 PolarHBondContact OE2-NH1 2.91Å; E355-R387 VanDerWaalsContact OE2-NH1 3.16Å; E355-V391 HydrophobicContact CB-CG2 4.05Å |
| 356 | A | 88.9 | Confident | 92.3 | Very high | 81 Ų | 81 | 44 Ų | 44 | 67% | 0.669 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -97.9 | -1.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | H353 M354 | H353-A356 PolarHBondContact O-N 3.42Å; M354-A356 VanDerWaalsContact C-N 3.28Å; M354-A356 PolarHBondContact O-N 2.98Å |
| 357 | E | 91.6 | Very high | 92.4 | Very high | 30 Ų | 30 | 44 Ų | 44 | 14% | 0.14 | 23% | 0.231 | C | C | . | . | trans | -80.5 | 127 | -170.1 | -169.8 | 54.6 | -108 | 0 | 0 | 112.9 | H353 M354 K359 L362 R363 Y366 | H353-E357 WeakPolarHBondContact O-CB 3.46Å; H353-E357 PolarHBondContact O-N 3.47Å; M354-E357 PolarHBondContact O-N 2.85Å; E357-K359 VanDerWaalsContact OE1-CB 3.31Å; E357-K359 WeakPolarHBondContact OE1-CB 3.38Å; E357-K359 PolarHBondContact OE1-N 3.09Å; E357-L362 VanDerWaalsContact CD-CD1 3.47Å; E357-L362 HydrophobicContact CG-CB 3.69Å; E357-L362 HydrophobicContact CG-CD1 4.4Å; E357-L362 VanDerWaalsContact OE2-CD1 3.23Å; E357-L362 WeakPolarHBondContact OE2-CD1 3.31Å; E357-R363 HydrophobicContact CB-CG 4.34Å; E357-R363 HydrophobicContact CG-CG 3.94Å; E357-R363 PolarHBondContact O-NH1 3.42Å; E357-Y366 HydrophobicContact CG-CD2 4.44Å; E357-Y366 HydrophobicContact CG-CE2 4.31Å | ||
| 358 | H | 87.3 | Confident | 92.5 | Very high | 145 Ų | 145 | 46.6 Ų | 46.6 | 67% | 0.671 | 25% | 0.249 | S | C | * | . | trans | -116.9 | -17.8 | -177.8 | 59.1 | -80.9 | 0 | 0 | 0 | 112.6 | V360 | H358-V360 PolarHBondContact O-N 3.04Š| ||
| 359 | K | 90 | Very high | 92.6 | Very high | 96 Ų | 96 | 43.1 Ų | 43.1 | 42% | 0.417 | 24% | 0.235 | S | C | . | . | trans | -74.7 | 118.3 | 177.5 | -64 | 175.7 | 179.8 | 171.8 | 0 | 109.9 | E357 A361 L362 R363 | E357-K359 VanDerWaalsContact OE1-CB 3.31Å; E357-K359 WeakPolarHBondContact OE1-CB 3.38Å; E357-K359 PolarHBondContact OE1-N 3.09Å; K359-A361 PolarHBondContact O-N 3Å; K359-L362 HydrophobicContact CB-CB 4.37Å; K359-L362 HydrophobicContact CB-CD1 4.2Å; K359-L362 HydrophobicContact CB-CG 4.37Å; K359-L362 HydrophobicContact CD-CD1 3.86Å; K359-L362 PolarHBondContact O-N 2.96Å; K359-L362 VanDerWaalsContact O-N 3.08Å; K359-R363 WeakPolarHBondContact O-CG 3.47Å; K359-R363 PolarHBondContact O-N 3.39Å | ||
| 360 | V | 88.7 | Confident | 92.6 | Very high | 74 Ų | 74 | 42.4 Ų | 42.4 | 45% | 0.448 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -54.7 | -39.9 | -178.2 | -178.9 | 0 | 0 | 0 | 0 | 112.2 | H358 L362 R363 R364 D400 | H358-V360 PolarHBondContact O-N 3.04Å; V360-L362 PolarHBondContact O-N 3.4Å; V360-R363 PolarHBondContact O-N 3.45Å; V360-R364 WeakPolarHBondContact O-CG 3.45Å; V360-R364 PolarHBondContact O-N 2.92Å; V360-D400 HydrophobicContact CG1-CB 4.39Å |
| 361 | A | 90.3 | Very high | 92.6 | Very high | 55 Ų | 55 | 42.5 Ų | 42.5 | 46% | 0.455 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60 | -44.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A311 K359 R364 V365 | A311-A361 HydrophobicContact CB-CB 4.03Å; K359-A361 PolarHBondContact O-N 3Å; A361-R364 PolarHBondContact O-N 2.97Å; A361-V365 WeakPolarHBondContact O-CG2 3.37Å; A361-V365 PolarHBondContact O-N 3.34Å |
| 362 | L | 91 | Very high | 92.5 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.8 | -39 | 177.7 | -70.7 | 173.6 | 0 | 0 | 0 | 111.6 | A311 L314 E357 K359 V360 R364 V365 Y366 | A311-L362 HydrophobicContact CB-CD2 3.95Å; L314-L362 HydrophobicContact CD2-CD2 3.68Å; E357-L362 VanDerWaalsContact CD-CD1 3.47Å; E357-L362 HydrophobicContact CG-CB 3.69Å; E357-L362 HydrophobicContact CG-CD1 4.4Å; E357-L362 VanDerWaalsContact OE2-CD1 3.23Å; E357-L362 WeakPolarHBondContact OE2-CD1 3.31Å; K359-L362 HydrophobicContact CB-CB 4.37Å; K359-L362 HydrophobicContact CB-CD1 4.2Å; K359-L362 HydrophobicContact CB-CG 4.37Å; K359-L362 HydrophobicContact CD-CD1 3.86Å; K359-L362 PolarHBondContact O-N 2.96Å; K359-L362 VanDerWaalsContact O-N 3.08Å; V360-L362 PolarHBondContact O-N 3.4Å; L362-R364 VanDerWaalsContact C-N 3.28Å; L362-R364 PolarHBondContact O-N 3.49Å; L362-V365 PolarHBondContact O-N 2.89Å; L362-V365 VanDerWaalsContact O-N 3.17Å; L362-Y366 HydrophobicContact CB-CD2 4.41Å; L362-Y366 HydrophobicContact CB-CE2 4.3Å; L362-Y366 WeakPolarHBondContact O-CD2 3.11Å; L362-Y366 PolarHBondContact O-N 3.43Å |
| 363 | R | 92.4 | Very high | 92.4 | Very high | 29 Ų | 29 | 44.6 Ų | 44.6 | 11% | 0.109 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.9 | -41.2 | 175 | -66.8 | 178.6 | 68.7 | 119.5 | -7.9 | 111.8 | E357 K359 V360 A367 G394 Y395 | E357-R363 HydrophobicContact CB-CG 4.34Å; E357-R363 HydrophobicContact CG-CG 3.94Å; E357-R363 PolarHBondContact O-NH1 3.42Å; K359-R363 WeakPolarHBondContact O-CG 3.47Å; K359-R363 PolarHBondContact O-N 3.39Å; V360-R363 PolarHBondContact O-N 3.45Å; R363-A367 WeakPolarHBondContact O-CB 3.41Å; R363-A367 PolarHBondContact O-N 3.47Å; R363-G394 PolarHBondContact NH2-O 3.29Å; R363-Y395 HydrophobicContact CB-CE1 3.75Å; R363-Y395 HydrophobicContact CG-CE1 3.95Å |
| 364 | R | 92.6 | Very high | 92.3 | Very high | 97 Ų | 97 | 42.5 Ų | 42.5 | 37% | 0.366 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.4 | -47.8 | 174.1 | -75 | 177.5 | -177.6 | 143.5 | 0.4 | 112.1 | V360 A361 L362 A367 S368 D400 V406 | V360-R364 WeakPolarHBondContact O-CG 3.45Å; V360-R364 PolarHBondContact O-N 2.92Å; A361-R364 PolarHBondContact O-N 2.97Å; L362-R364 VanDerWaalsContact C-N 3.28Å; L362-R364 PolarHBondContact O-N 3.49Å; R364-A367 PolarHBondContact O-N 2.99Å; R364-S368 WeakPolarHBondContact O-CB 3.26Å; R364-S368 PolarHBondContact O-N 3.41Å; R364-S368 PolarHBondContact O-OG 2.85Å; R364-D400 IonicContact CZ-OD2 2.64Å; R364-D400 IonicContact NE-OD2 2.95Å; R364-D400 PolarHBondContact NE-OD2 3.5Å; R364-D400 IonicContact NH2-OD2 2.81Å; R364-V406 HydrophobicContact CB-CG2 4.35Å; R364-V406 HydrophobicContact CG-CG2 3.67Å |
| 365 | V | 93.6 | Very high | 92.1 | Very high | 11 Ų | 11 | 49 Ų | 49 | 7% | 0.067 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.4 | -51.1 | 178.7 | 170.9 | 0 | 0 | 0 | 0 | 111 | A311 L314 Q315 L318 A361 L362 A367 S368 A369 | A311-V365 HydrophobicContact CB-CG2 3.96Å; L314-V365 HydrophobicContact CB-CG1 4.37Å; L314-V365 HydrophobicContact CD2-CG1 4.07Å; L314-V365 HydrophobicContact CG-CG1 4.09Å; Q315-V365 HydrophobicContact CB-CG1 3.74Å; Q315-V365 HydrophobicContact CB-CG2 4.18Å; Q315-V365 HydrophobicContact CG-CG1 4.43Å; L318-V365 HydrophobicContact CD1-CG1 4.09Å; A361-V365 WeakPolarHBondContact O-CG2 3.37Å; A361-V365 PolarHBondContact O-N 3.34Å; L362-V365 PolarHBondContact O-N 2.89Å; L362-V365 VanDerWaalsContact O-N 3.17Å; V365-A367 PolarHBondContact O-N 2.95Å; V365-S368 PolarHBondContact O-N 3.19Å; V365-S368 PolarHBondContact O-OG 2.91Å; V365-A369 PolarHBondContact O-N 2.95Å; V365-A369 VanDerWaalsContact O-N 3.12Å |
| 366 | Y | 94.6 | Very high | 91.8 | Very high | 5 Ų | 5 | 47.8 Ų | 47.8 | 2% | 0.02 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61 | -45.6 | 178.2 | -73.8 | -55 | 0 | 0 | 0 | 112.7 | L314 L318 V350 H353 M354 E357 L362 S368 A369 L370 | L314-Y366 HydrophobicContact CD1-CE1 4.13Å; L314-Y366 HydrophobicContact CD2-CD1 4.07Å; L314-Y366 HydrophobicContact CD2-CD2 4.37Å; L314-Y366 HydrophobicContact CD2-CE1 3.48Å; L314-Y366 VanDerWaalsContact CD2-CE1 3.48Å; L314-Y366 HydrophobicContact CD2-CE2 3.81Å; L314-Y366 HydrophobicContact CD2-CG 4.47Å; L314-Y366 WeakPolarHBondContact CD2-OH 3.48Å; L314-Y366 HydrophobicContact CG-CE1 4.23Å; L318-Y366 HydrophobicContact CD1-CD1 4.14Å; L318-Y366 HydrophobicContact CD1-CE1 4.41Å; V350-Y366 HydrophobicContact CG1-CD1 3.76Å; V350-Y366 HydrophobicContact CG1-CE1 4.09Å; H353-Y366 HydrophobicContact CB-CE2 4.33Å; H353-Y366 WeakPolarHBondContact CB-OH 3.11Å; M354-Y366 HydrophobicContact CG-CD1 3.96Å; M354-Y366 HydrophobicContact CG-CD2 3.82Å; M354-Y366 HydrophobicContact CG-CG 3.52Å; M354-Y366 HydrophobicContact SD-CG 4.31Å; E357-Y366 HydrophobicContact CG-CD2 4.44Å; E357-Y366 HydrophobicContact CG-CE2 4.31Å; L362-Y366 HydrophobicContact CB-CD2 4.41Å; L362-Y366 HydrophobicContact CB-CE2 4.3Å; L362-Y366 WeakPolarHBondContact O-CD2 3.11Å; L362-Y366 PolarHBondContact O-N 3.43Å; Y366-S368 VanDerWaalsContact C-N 3.29Å; Y366-S368 PolarHBondContact O-N 3.38Å; Y366-A369 PolarHBondContact O-N 3.31Å; Y366-L370 WeakPolarHBondContact O-CB 3.09Å; Y366-L370 PolarHBondContact O-N 2.91Å |
| 367 | A | 94.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.3 | -37.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R363 R364 V365 P371 Y395 V406 K409 M410 | R363-A367 WeakPolarHBondContact O-CB 3.41Å; R363-A367 PolarHBondContact O-N 3.47Å; R364-A367 PolarHBondContact O-N 2.99Å; V365-A367 PolarHBondContact O-N 2.95Å; A367-P371 WeakPolarHBondContact O-CD 3.31Å; A367-Y395 HydrophobicContact CB-CD1 4.49Å; A367-V406 HydrophobicContact CB-CB 4.24Å; A367-V406 HydrophobicContact CB-CG1 3.88Å; A367-V406 HydrophobicContact CB-CG2 4.16Å; A367-K409 HydrophobicContact CB-CB 4.35Å; A367-K409 WeakPolarHBondContact O-CB 3.26Å; A367-M410 HydrophobicContact CB-SD 4.06Å |
| 368 | S | 94.4 | Very high | 91.5 | Very high | 56 Ų | 56 | 43.4 Ų | 43.4 | 39% | 0.392 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67 | -36.1 | 177.4 | 74.7 | 0 | 0 | 0 | 0 | 113.1 | R364 V365 Y366 | R364-S368 WeakPolarHBondContact O-CB 3.26Å; R364-S368 PolarHBondContact O-N 3.41Å; R364-S368 PolarHBondContact O-OG 2.85Å; V365-S368 PolarHBondContact O-N 3.19Å; V365-S368 PolarHBondContact O-OG 2.91Å; Y366-S368 VanDerWaalsContact C-N 3.29Å; Y366-S368 PolarHBondContact O-N 3.38Å |
| 369 | A | 94.6 | Very high | 91.5 | Very high | 13 Ų | 13 | 40.9 Ų | 40.9 | 11% | 0.107 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -83.3 | -33.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L318 V365 Y366 P371 L372 Y373 | L318-A369 HydrophobicContact CB-CB 4.23Å; L318-A369 HydrophobicContact CD1-CB 3.82Å; V365-A369 PolarHBondContact O-N 2.95Å; V365-A369 VanDerWaalsContact O-N 3.12Å; Y366-A369 PolarHBondContact O-N 3.31Å; A369-P371 VanDerWaalsContact C-CD 3.46Å; A369-L372 PolarHBondContact O-N 2.63Å; A369-Y373 HydrophobicContact CB-CD2 4.37Å; A369-Y373 HydrophobicContact CB-CE2 4.27Å; A369-Y373 WeakPolarHBondContact O-CD2 3.48Å; A369-Y373 PolarHBondContact O-N 3.17Å |
| 370 | L | 95.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.2 | -40.3 | -171.5 | -174.2 | 62.3 | 0 | 0 | 0 | 115.3 | L347 L351 M354 Y366 L372 Y373 V374 L388 M410 V413 | L347-L370 HydrophobicContact CD1-CD1 3.71Å; L351-L370 HydrophobicContact CD2-CD1 4.07Å; L351-L370 HydrophobicContact CD2-CD2 4.38Å; M354-L370 HydrophobicContact CE-CD2 3.92Å; M354-L370 HydrophobicContact SD-CD2 3.99Å; Y366-L370 WeakPolarHBondContact O-CB 3.09Å; Y366-L370 PolarHBondContact O-N 2.91Å; L370-L372 VanDerWaalsContact C-N 3.29Å; L370-L372 PolarHBondContact O-N 2.75Å; L370-Y373 PolarHBondContact O-N 3.2Å; L370-V374 HydrophobicContact CD1-CG2 3.98Å; L370-V374 HydrophobicContact CG-CG2 4.19Å; L370-V374 WeakPolarHBondContact O-CG2 3.39Å; L370-V374 PolarHBondContact O-N 3.26Å; L370-L388 HydrophobicContact CD2-CD1 4.17Å; L370-M410 HydrophobicContact CD2-CE 3.72Å; L370-M410 HydrophobicContact CD2-SD 4.12Å; L370-V413 HydrophobicContact CB-CG2 4.1Å; L370-V413 HydrophobicContact CD2-CB 4.49Å; L370-V413 HydrophobicContact CD2-CG1 3.95Å; L370-V413 HydrophobicContact CD2-CG2 3.99Å; L370-V413 HydrophobicContact CG-CG1 4.16Å; L370-V413 HydrophobicContact CG-CG2 3.81Å |
| 371 | P | 94.7 | Very high | 91.4 | Very high | 8 Ų | 8 | 33.3 Ų | 33.3 | 5% | 0.052 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -52.8 | -46.3 | 176.7 | -24.5 | 29.4 | 0 | 0 | 0 | 112.8 | A367 A369 Y373 V374 E375 K409 E412 V413 | A367-P371 WeakPolarHBondContact O-CD 3.31Å; A369-P371 VanDerWaalsContact C-CD 3.46Å; P371-Y373 PolarHBondContact O-N 3.31Å; P371-V374 PolarHBondContact O-N 3.17Å; P371-E375 WeakPolarHBondContact O-CB 3.23Å; P371-E375 PolarHBondContact O-N 3.23Å; P371-K409 HydrophobicContact CG-CB 4.44Å; P371-K409 HydrophobicContact CG-CD 3.93Å; P371-E412 HydrophobicContact CB-CG 4.49Å; P371-V413 HydrophobicContact CB-CG2 4.23Å; P371-V413 HydrophobicContact CG-CG2 3.78Å |
| 372 | L | 92.9 | Very high | 91.4 | Very high | 83 Ų | 83 | 32 Ų | 32 | 44% | 0.435 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.5 | -43.1 | -179.1 | -61.6 | 175.8 | 0 | 0 | 0 | 111.1 | L322 A369 L370 V374 E375 R376 | L322-L372 HydrophobicContact CD1-CB 3.77Å; L322-L372 HydrophobicContact CD1-CD1 3.85Å; L322-L372 HydrophobicContact CD1-CG 4.49Å; L322-L372 HydrophobicContact CD2-CB 4.41Å; A369-L372 PolarHBondContact O-N 2.63Å; L370-L372 VanDerWaalsContact C-N 3.29Å; L370-L372 PolarHBondContact O-N 2.75Å; L372-V374 PolarHBondContact O-N 3.18Å; L372-E375 PolarHBondContact O-N 2.98Å; L372-R376 WeakPolarHBondContact O-CB 3.5Å; L372-R376 WeakPolarHBondContact O-CG 3.29Å; L372-R376 PolarHBondContact O-N 3.1Å |
| 373 | Y | 92.2 | Very high | 91.3 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.5 | -40.9 | 177.3 | -80.9 | -80.9 | 0 | 0 | 0 | 112.7 | L318 L321 L322 L325 V346 A369 L370 P371 R376 V377 | L318-Y373 WeakPolarHBondContact CA-OH 3.34Å; L318-Y373 HydrophobicContact CB-CE2 4.23Å; L318-Y373 HydrophobicContact CD2-CE2 3.91Å; L318-Y373 PolarHBondContact O-OH 3.45Å; L321-Y373 WeakPolarHBondContact CB-OH 3.35Å; L322-Y373 HydrophobicContact CD1-CD2 4.14Å; L322-Y373 HydrophobicContact CD1-CE2 3.79Å; L322-Y373 HydrophobicContact CD2-CD1 3.6Å; L322-Y373 HydrophobicContact CD2-CD2 3.87Å; L322-Y373 HydrophobicContact CD2-CE1 3.53Å; L322-Y373 HydrophobicContact CD2-CE2 3.81Å; L322-Y373 HydrophobicContact CD2-CG 3.77Å; L322-Y373 HydrophobicContact CG-CD1 4.38Å; L322-Y373 HydrophobicContact CG-CD2 4.12Å; L322-Y373 HydrophobicContact CG-CE1 3.89Å; L322-Y373 HydrophobicContact CG-CE2 3.6Å; L322-Y373 HydrophobicContact CG-CG 4.49Å; L322-Y373 VanDerWaalsContact CG-CZ 3.5Å; L325-Y373 HydrophobicContact CD1-CE1 4.4Å; V346-Y373 HydrophobicContact CB-CE1 4.4Å; V346-Y373 HydrophobicContact CG1-CD1 4.33Å; V346-Y373 HydrophobicContact CG1-CE1 3.54Å; A369-Y373 HydrophobicContact CB-CD2 4.37Å; A369-Y373 HydrophobicContact CB-CE2 4.27Å; A369-Y373 WeakPolarHBondContact O-CD2 3.48Å; A369-Y373 PolarHBondContact O-N 3.17Å; L370-Y373 PolarHBondContact O-N 3.2Å; P371-Y373 PolarHBondContact O-N 3.31Å; Y373-R376 PolarHBondContact O-N 3.2Å; Y373-V377 WeakPolarHBondContact O-CB 3.48Å; Y373-V377 VanDerWaalsContact O-CG2 3.3Å; Y373-V377 WeakPolarHBondContact O-CG2 3.17Å; Y373-V377 PolarHBondContact O-N 2.84Å |
| 374 | V | 91.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.7 | -41.6 | 178.5 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | L370 P371 L372 G378 V381 V413 L420 | L370-V374 HydrophobicContact CD1-CG2 3.98Å; L370-V374 HydrophobicContact CG-CG2 4.19Å; L370-V374 WeakPolarHBondContact O-CG2 3.39Å; L370-V374 PolarHBondContact O-N 3.26Å; P371-V374 PolarHBondContact O-N 3.17Å; L372-V374 PolarHBondContact O-N 3.18Å; V374-G378 PolarHBondContact O-N 3.1Å; V374-V381 HydrophobicContact CG1-CG2 4.18Å; V374-V381 HydrophobicContact CG2-CG2 4.45Å; V374-V413 HydrophobicContact CG2-CG1 4.05Å; V374-L420 HydrophobicContact CG1-CD1 4.16Å |
| 375 | E | 89.9 | Confident | 91.4 | Very high | 136 Ų | 136 | 31.9 Ų | 31.9 | 64% | 0.636 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -62.1 | -46.2 | 174.8 | -172.1 | 180 | -174.8 | 0 | 0 | 111.7 | P371 L372 V377 G378 | P371-E375 WeakPolarHBondContact O-CB 3.23Å; P371-E375 PolarHBondContact O-N 3.23Å; L372-E375 PolarHBondContact O-N 2.98Å; E375-V377 PolarHBondContact O-N 3.27Å; E375-G378 PolarHBondContact O-N 3.02Å |
| 376 | R | 86.4 | Confident | 91.4 | Very high | 77 Ų | 77 | 42.1 Ų | 42.1 | 29% | 0.291 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.7 | -40.3 | -179.9 | -68.3 | -69.9 | -177 | 85.5 | 1.2 | 112.9 | L322 L326 L372 Y373 | L322-R376 HydrophobicContact CD2-CG 4.24Å; L322-R376 PolarHBondContact O-NH1 3.39Å; L326-R376 VanDerWaalsContact CD2-NH1 3.3Å; L372-R376 WeakPolarHBondContact O-CB 3.5Å; L372-R376 WeakPolarHBondContact O-CG 3.29Å; L372-R376 PolarHBondContact O-N 3.1Å; Y373-R376 PolarHBondContact O-N 3.2Å |
| 377 | V | 87.2 | Confident | 91.3 | Very high | 7 Ų | 7 | 45.4 Ų | 45.4 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.3 | -35.4 | 175.5 | 172.6 | 0 | 0 | 0 | 0 | 111 | R338 H343 L347 Y373 E375 A380 | R338-V377 PolarHBondContact NH1-O 3.05Å; H343-V377 HydrophobicContact CB-CG2 3.87Å; L347-V377 HydrophobicContact CD2-CB 4.36Å; L347-V377 HydrophobicContact CD2-CG1 4.35Å; L347-V377 HydrophobicContact CD2-CG2 3.92Å; Y373-V377 WeakPolarHBondContact O-CB 3.48Å; Y373-V377 VanDerWaalsContact O-CG2 3.3Å; Y373-V377 WeakPolarHBondContact O-CG2 3.17Å; Y373-V377 PolarHBondContact O-N 2.84Å; E375-V377 PolarHBondContact O-N 3.27Å; V377-A380 HydrophobicContact CG1-CB 3.65Å |
| 378 | G | 87.6 | Confident | 91.4 | Very high | 12 Ų | 12 | 45.3 Ų | 45.3 | 12% | 0.124 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | 61.8 | -137.7 | 180 | 0 | 0 | 0 | 0 | 0 | 112.1 | V374 E375 A380 V381 | V374-G378 PolarHBondContact O-N 3.1Å; E375-G378 PolarHBondContact O-N 3.02Å; G378-A380 PolarHBondContact O-N 2.91Å; G378-V381 VanDerWaalsContact O-CB 3.29Å; G378-V381 WeakPolarHBondContact O-CB 3.42Å; G378-V381 VanDerWaalsContact O-CG1 3.26Å; G378-V381 WeakPolarHBondContact O-CG1 3.43Å; G378-V381 PolarHBondContact O-N 2.88Å |
| 379 | V | 87.5 | Confident | 91.4 | Very high | 92 Ų | 92 | 43.5 Ų | 43.5 | 56% | 0.558 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -55.4 | -25.3 | -176.6 | -178.5 | 0 | 0 | 0 | 0 | 113.4 | V381 C382 L420 | V379-V381 PolarHBondContact O-N 3.38Å; V379-V381 VanDerWaalsContact O-N 3.1Å; V379-C382 WeakPolarHBondContact O-CB 3.27Å; V379-C382 PolarHBondContact O-N 3.1Å; V379-C382 PolarHBondContact O-SG 3.42Å; V379-L420 HydrophobicContact CG2-CD2 4.28Å |
| 380 | A | 87 | Confident | 91.4 | Very high | 12 Ų | 12 | 45.6 Ų | 45.6 | 10% | 0.099 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -63.8 | -13.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | V377 G378 C382 R383 | V377-A380 HydrophobicContact CG1-CB 3.65Å; G378-A380 PolarHBondContact O-N 2.91Å; A380-C382 PolarHBondContact O-N 3.11Å; A380-R383 WeakPolarHBondContact O-CB 3.4Å; A380-R383 WeakPolarHBondContact O-CG 3.35Å; A380-R383 PolarHBondContact O-N 3.35Å |
| 381 | V | 89.8 | Confident | 91.4 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -53 | -24.5 | 171 | 74.4 | 0 | 0 | 0 | 0 | 112.2 | V374 G378 V379 R383 H384 L385 L388 L420 A421 | V374-V381 HydrophobicContact CG1-CG2 4.18Å; V374-V381 HydrophobicContact CG2-CG2 4.45Å; G378-V381 VanDerWaalsContact O-CB 3.29Å; G378-V381 WeakPolarHBondContact O-CB 3.42Å; G378-V381 VanDerWaalsContact O-CG1 3.26Å; G378-V381 WeakPolarHBondContact O-CG1 3.43Å; G378-V381 PolarHBondContact O-N 2.88Å; V379-V381 PolarHBondContact O-N 3.38Å; V379-V381 VanDerWaalsContact O-N 3.1Å; V381-R383 PolarHBondContact O-N 2.93Å; V381-R383 VanDerWaalsContact O-N 3.09Å; V381-H384 PolarHBondContact O-N 3.16Å; V381-L385 PolarHBondContact O-N 3.08Å; V381-L388 HydrophobicContact CG2-CD2 3.71Å; V381-L420 HydrophobicContact CG1-CB 3.97Å; V381-L420 HydrophobicContact CG1-CD1 4.36Å; V381-A421 HydrophobicContact CG1-CB 4.3Å |
| 382 | C | 89.7 | Confident | 91.4 | Very high | 28 Ų | 28 | 45.3 Ų | 45.3 | 19% | 0.189 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -46.5 | -38.7 | 170 | -75.6 | 0 | 0 | 0 | 0 | 113 | V379 A380 H384 A421 R424 | V379-C382 WeakPolarHBondContact O-CB 3.27Å; V379-C382 PolarHBondContact O-N 3.1Å; V379-C382 PolarHBondContact O-SG 3.42Å; A380-C382 PolarHBondContact O-N 3.11Å; C382-H384 PolarHBondContact O-N 3.45Å; C382-A421 WeakPolarHBondContact SG-CB 3.46Å; C382-R424 PolarHBondContact O-NH1 3.2Å |
| 383 | R | 89.5 | Confident | 91.5 | Very high | 112 Ų | 112 | 43.3 Ų | 43.3 | 42% | 0.423 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -64.1 | -32.5 | 179.5 | -64.9 | 174.1 | -177.2 | 166.3 | 0.6 | 112.6 | R338 K339 D344 A380 V381 | R338-R383 PolarHBondContact O-NH2 3.35Å; K339-R383 PolarHBondContact O-NH1 3Å; D344-R383 IonicContact OD2-NH1 2.89Å; D344-R383 PolarHBondContact OD2-NH1 3.12Å; A380-R383 WeakPolarHBondContact O-CB 3.4Å; A380-R383 WeakPolarHBondContact O-CG 3.35Å; A380-R383 PolarHBondContact O-N 3.35Å; V381-R383 PolarHBondContact O-N 2.93Å; V381-R383 VanDerWaalsContact O-N 3.09Å |
| 384 | H | 92.5 | Very high | 91.5 | Very high | 14 Ų | 14 | 44.4 Ų | 44.4 | 7% | 0.065 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -95.4 | -6.6 | -172.5 | -58.2 | -68.2 | 0 | 0 | 0 | 113.5 | D344 L347 L351 V381 C382 R386 R387 L388 | D344-H384 PolarHBondContact O-CE1 2.95Å; D344-H384 VanDerWaalsContact O-CE1 3.23Å; D344-H384 IonicContact OD1-CD2 3.04Å; D344-H384 IonicContact OD1-CE1 3.24Å; D344-H384 IonicContact OD1-NE2 2.71Å; D344-H384 PolarHBondContact OD1-NE2 3.02Å; L347-H384 HydrophobicContact CD2-CB 4.31Å; L351-H384 HydrophobicContact CD1-CB 3.91Å; V381-H384 PolarHBondContact O-N 3.16Å; C382-H384 PolarHBondContact O-N 3.45Å; H384-R386 PolarHBondContact O-N 3.42Å; H384-R387 PolarHBondContact O-N 2.87Å; H384-L388 WeakPolarHBondContact O-CB 3.3Å; H384-L388 PolarHBondContact O-N 3.46Å |
| 385 | L | 93.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -51.4 | -31.1 | -178.5 | -70 | 177.7 | 0 | 0 | 0 | 114.4 | V381 R387 M389 T417 A421 R424 M425 | V381-L385 PolarHBondContact O-N 3.08Å; L385-R387 VanDerWaalsContact C-N 3.33Å; L385-R387 PolarHBondContact O-N 2.88Å; L385-M389 HydrophobicContact CD2-CE 4.01Å; L385-M389 WeakPolarHBondContact O-CB 3.44Å; L385-M389 WeakPolarHBondContact O-CG 3.23Å; L385-M389 PolarHBondContact O-N 3.15Å; L385-T417 HydrophobicContact CD2-CG2 3.55Å; L385-A421 HydrophobicContact CD1-CB 4.07Å; L385-A421 HydrophobicContact CD2-CB 4.25Å; L385-R424 HydrophobicContact CD1-CB 3.87Å; L385-M425 HydrophobicContact CD1-CE 3.91Å; L385-M425 HydrophobicContact CD2-CE 3.87Å |
| 386 | R | 93.2 | Very high | 91.8 | Very high | 227 Ų | 227 | 38.1 Ų | 38.1 | 86% | 0.857 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -64 | -38.7 | 178.6 | -175.7 | 179.2 | 175.6 | -176.5 | -1.2 | 112.1 | H384 P390 | H384-R386 PolarHBondContact O-N 3.42Å; R386-P390 VanDerWaalsContact O-CD 3.23Å; R386-P390 WeakPolarHBondContact O-CD 3.31Å |
| 387 | R | 94 | Very high | 92 | Very high | 73 Ų | 73 | 39.1 Ų | 39.1 | 28% | 0.275 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -89.9 | -35.9 | 178.2 | -76.2 | -173.1 | 165.7 | -82.5 | 14.3 | 112.7 | H348 L351 T352 E355 H384 L385 M389 P390 V391 | H348-R387 PolarHBondContact CE1-NE 3.37Å; H348-R387 PolarHBondContact NE2-NE 2.7Å; L351-R387 HydrophobicContact CB-CB 4.29Å; L351-R387 HydrophobicContact CD1-CB 4.45Å; T352-R387 PolarHBondContact OG1-NE 3.28Å; T352-R387 PolarHBondContact OG1-NH1 3.14Å; T352-R387 PolarHBondContact OG1-NH2 3.01Å; E355-R387 IonicContact OE2-NH1 3.71Å; E355-R387 PolarHBondContact OE2-NH1 2.91Å; E355-R387 VanDerWaalsContact OE2-NH1 3.16Å; H384-R387 PolarHBondContact O-N 2.87Å; L385-R387 VanDerWaalsContact C-N 3.33Å; L385-R387 PolarHBondContact O-N 2.88Å; R387-M389 VanDerWaalsContact C-N 3.29Å; R387-M389 PolarHBondContact O-N 2.85Å; R387-P390 WeakPolarHBondContact O-CD 3.39Å; R387-V391 WeakPolarHBondContact O-CG2 3.42Å |
| 388 | L | 95.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.4 | -33.3 | -179.5 | 179.4 | 60.5 | 0 | 0 | 0 | 112.5 | L351 L370 V381 H384 V391 L392 V413 T417 | L351-L388 HydrophobicContact CD1-CB 4.01Å; L351-L388 HydrophobicContact CD1-CD1 4.48Å; L351-L388 HydrophobicContact CD2-CB 4.46Å; L351-L388 HydrophobicContact CD2-CD1 3.69Å; L370-L388 HydrophobicContact CD2-CD1 4.17Å; V381-L388 HydrophobicContact CG2-CD2 3.71Å; H384-L388 WeakPolarHBondContact O-CB 3.3Å; H384-L388 PolarHBondContact O-N 3.46Å; L388-V391 PolarHBondContact O-N 3.12Å; L388-L392 HydrophobicContact CD1-CD1 4.07Å; L388-L392 HydrophobicContact CD1-CG 4.09Å; L388-L392 HydrophobicContact CD2-CD1 4.35Å; L388-L392 HydrophobicContact CG-CD1 3.76Å; L388-L392 HydrophobicContact CG-CG 4.28Å; L388-L392 WeakPolarHBondContact O-CB 3.2Å; L388-L392 WeakPolarHBondContact O-CG 3.37Å; L388-L392 PolarHBondContact O-N 3.2Å; L388-V413 HydrophobicContact CD1-CG1 4.18Å; L388-T417 HydrophobicContact CD2-CG2 3.81Å |
| 389 | M | 94.4 | Very high | 91.5 | Very high | 18 Ų | 18 | 44.2 Ų | 44.2 | 9% | 0.089 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.1 | -53.2 | -179.1 | -73.5 | -55.4 | 102.3 | 0 | 0 | 113.3 | L385 R387 V391 L392 L393 T417 R428 L432 | L385-M389 HydrophobicContact CD2-CE 4.01Å; L385-M389 WeakPolarHBondContact O-CB 3.44Å; L385-M389 WeakPolarHBondContact O-CG 3.23Å; L385-M389 PolarHBondContact O-N 3.15Å; R387-M389 VanDerWaalsContact C-N 3.29Å; R387-M389 PolarHBondContact O-N 2.85Å; M389-V391 VanDerWaalsContact C-N 3.27Å; M389-V391 PolarHBondContact O-N 3.34Å; M389-L392 HydrophobicContact CE-CD1 3.47Å; M389-L392 VanDerWaalsContact CE-CD1 3.47Å; M389-L392 PolarHBondContact O-N 2.99Å; M389-L392 HydrophobicContact SD-CD1 4.49Å; M389-L393 WeakPolarHBondContact O-CG 3.21Å; M389-L393 PolarHBondContact O-N 2.79Å; M389-T417 HydrophobicContact CE-CG2 4.19Å; M389-R428 HydrophobicContact CG-CG 4.16Å; M389-R428 HydrophobicContact SD-CB 4.37Å; M389-R428 HydrophobicContact SD-CG 4.34Å; M389-L432 HydrophobicContact SD-CD1 4.32Å; M389-L432 HydrophobicContact SD-CD2 4.29Å |
| 390 | P | 94.4 | Very high | 91.3 | Very high | 57 Ų | 57 | 40.2 Ų | 40.2 | 37% | 0.37 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -53.3 | -42.7 | 173.9 | -27.9 | 32.9 | 0 | 0 | 0 | 113.6 | R386 R387 L393 G394 | R386-P390 VanDerWaalsContact O-CD 3.23Å; R386-P390 WeakPolarHBondContact O-CD 3.31Å; R387-P390 WeakPolarHBondContact O-CD 3.39Å; P390-L393 PolarHBondContact O-N 3.3Å; P390-G394 PolarHBondContact O-N 3Å |
| 391 | V | 95.8 | Very high | 90.8 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.1 | -47.3 | 178.2 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | L351 M354 E355 R387 L388 M389 L393 G394 Y395 M410 | L351-V391 HydrophobicContact CD2-CB 4.45Å; L351-V391 HydrophobicContact CD2-CG1 4.37Å; L351-V391 HydrophobicContact CD2-CG2 4.32Å; M354-V391 HydrophobicContact CB-CG1 3.84Å; M354-V391 HydrophobicContact CB-CG2 4.02Å; M354-V391 HydrophobicContact CE-CG1 3.52Å; M354-V391 HydrophobicContact SD-CG1 3.93Å; E355-V391 HydrophobicContact CB-CG2 4.05Å; R387-V391 WeakPolarHBondContact O-CG2 3.42Å; L388-V391 PolarHBondContact O-N 3.12Å; M389-V391 VanDerWaalsContact C-N 3.27Å; M389-V391 PolarHBondContact O-N 3.34Å; V391-L393 PolarHBondContact O-N 3.23Å; V391-G394 PolarHBondContact O-N 2.95Å; V391-Y395 HydrophobicContact CG1-CD2 4Å; V391-Y395 HydrophobicContact CG1-CE2 4.08Å; V391-Y395 WeakPolarHBondContact O-CB 3.43Å; V391-Y395 VanDerWaalsContact O-CD2 3.24Å; V391-Y395 WeakPolarHBondContact O-CD2 3.37Å; V391-Y395 PolarHBondContact O-N 2.93Å; V391-M410 HydrophobicContact CG1-CE 4.09Å |
| 392 | L | 95.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.8 | -46.7 | 177.2 | -81.7 | 165.1 | 0 | 0 | 0 | 112 | L388 M389 L396 M410 V413 L414 | L388-L392 HydrophobicContact CD1-CD1 4.07Å; L388-L392 HydrophobicContact CD1-CG 4.09Å; L388-L392 HydrophobicContact CD2-CD1 4.35Å; L388-L392 HydrophobicContact CG-CD1 3.76Å; L388-L392 HydrophobicContact CG-CG 4.28Å; L388-L392 WeakPolarHBondContact O-CB 3.2Å; L388-L392 WeakPolarHBondContact O-CG 3.37Å; L388-L392 PolarHBondContact O-N 3.2Å; M389-L392 HydrophobicContact CE-CD1 3.47Å; M389-L392 VanDerWaalsContact CE-CD1 3.47Å; M389-L392 PolarHBondContact O-N 2.99Å; M389-L392 HydrophobicContact SD-CD1 4.49Å; L392-L396 WeakPolarHBondContact O-CB 3.4Å; L392-L396 WeakPolarHBondContact O-CD1 3.34Å; L392-L396 WeakPolarHBondContact O-CG 3.44Å; L392-L396 PolarHBondContact O-N 3.23Å; L392-L396 VanDerWaalsContact O-N 3.09Å; L392-M410 HydrophobicContact CD2-CB 4.4Å; L392-M410 HydrophobicContact CD2-CE 3.58Å; L392-M410 WeakPolarHBondContact CD2-O 3.29Å; L392-M410 HydrophobicContact CG-CE 4.1Å; L392-V413 HydrophobicContact CD2-CB 4.2Å; L392-V413 HydrophobicContact CD2-CG1 3.98Å; L392-L414 HydrophobicContact CD1-CD1 4.23Å; L392-L414 HydrophobicContact CD2-CB 4.07Å |
| 393 | L | 94.7 | Very high | 89.7 | Confident | 41 Ų | 41 | 53.1 Ų | 53.1 | 22% | 0.215 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.9 | -50.3 | 179.9 | -63.1 | 173 | 0 | 0 | 0 | 110.9 | M389 P390 V391 Y395 L396 E397 A431 L432 C435 | M389-L393 WeakPolarHBondContact O-CG 3.21Å; M389-L393 PolarHBondContact O-N 2.79Å; P390-L393 PolarHBondContact O-N 3.3Å; V391-L393 PolarHBondContact O-N 3.23Å; L393-Y395 VanDerWaalsContact C-N 3.33Å; L393-Y395 PolarHBondContact O-N 3.02Å; L393-L396 PolarHBondContact O-N 3.26Å; L393-E397 VanDerWaalsContact O-CG 3.29Å; L393-E397 WeakPolarHBondContact O-CG 3.47Å; L393-E397 PolarHBondContact O-N 3.45Å; L393-E397 VanDerWaalsContact O-N 3.11Å; L393-A431 HydrophobicContact CD1-CB 4.31Å; L393-L432 HydrophobicContact CD2-CD2 4.11Å; L393-C435 HydrophobicContact CD2-CB 3.5Å; L393-C435 VanDerWaalsContact CD2-CB 3.5Å |
| 394 | G | 92.7 | Very high | 89.6 | Confident | 24 Ų | 24 | 47.9 Ų | 47.9 | 25% | 0.247 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.4 | -25.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | R363 P390 V391 | R363-G394 PolarHBondContact NH2-O 3.29Å; P390-G394 PolarHBondContact O-N 3Å; V391-G394 PolarHBondContact O-N 2.95Å |
| 395 | Y | 94.2 | Very high | 89.4 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -86.9 | -26.9 | 175.9 | -79 | -127.1 | 0 | 0 | 0 | 113.2 | M354 R363 A367 V391 L393 V406 M410 | M354-Y395 WeakPolarHBondContact CA-OH 3.34Å; M354-Y395 HydrophobicContact CB-CE2 4.24Å; M354-Y395 WeakPolarHBondContact CB-OH 3.47Å; M354-Y395 HydrophobicContact CE-CD1 3.93Å; M354-Y395 HydrophobicContact CE-CE1 3.47Å; M354-Y395 VanDerWaalsContact CE-CE1 3.47Å; M354-Y395 HydrophobicContact CE-CE2 4.27Å; M354-Y395 VanDerWaalsContact O-CE2 3.24Å; M354-Y395 WeakPolarHBondContact O-CE2 3.4Å; M354-Y395 PolarHBondContact O-OH 3.47Å; R363-Y395 HydrophobicContact CB-CE1 3.75Å; R363-Y395 HydrophobicContact CG-CE1 3.95Å; A367-Y395 HydrophobicContact CB-CD1 4.49Å; V391-Y395 HydrophobicContact CG1-CD2 4Å; V391-Y395 HydrophobicContact CG1-CE2 4.08Å; V391-Y395 WeakPolarHBondContact O-CB 3.43Å; V391-Y395 VanDerWaalsContact O-CD2 3.24Å; V391-Y395 WeakPolarHBondContact O-CD2 3.37Å; V391-Y395 PolarHBondContact O-N 2.93Å; L393-Y395 VanDerWaalsContact C-N 3.33Å; L393-Y395 PolarHBondContact O-N 3.02Å; Y395-V406 HydrophobicContact CD1-CG1 3.65Å; Y395-V406 HydrophobicContact CG-CG1 4.37Å; Y395-M410 HydrophobicContact CD1-CG 4.3Å; Y395-M410 HydrophobicContact CD1-SD 4.15Å; Y395-M410 HydrophobicContact CG-CE 4.5Å; Y395-M410 HydrophobicContact CG-CG 4.36Å; Y395-M410 HydrophobicContact CG-SD 4.43Å |
| 396 | L | 93.4 | Very high | 89.4 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -75.5 | -29.5 | 172.6 | -72.5 | 172 | 0 | 0 | 0 | 112.4 | L392 L393 R407 M410 L411 L414 L439 | L392-L396 WeakPolarHBondContact O-CB 3.4Å; L392-L396 WeakPolarHBondContact O-CD1 3.34Å; L392-L396 WeakPolarHBondContact O-CG 3.44Å; L392-L396 PolarHBondContact O-N 3.23Å; L392-L396 VanDerWaalsContact O-N 3.09Å; L393-L396 PolarHBondContact O-N 3.26Å; L396-R407 VanDerWaalsContact O-CD 3.3Å; L396-R407 WeakPolarHBondContact O-CD 3.31Å; L396-M410 HydrophobicContact CD2-CB 3.81Å; L396-M410 HydrophobicContact CG-CB 4.1Å; L396-L411 HydrophobicContact CD2-CD2 3.9Å; L396-L411 HydrophobicContact CD2-CG 3.78Å; L396-L414 HydrophobicContact CD1-CD2 4.27Å; L396-L439 HydrophobicContact CD2-CD2 4.14Å |
| 397 | E | 90.1 | Very high | 89.4 | Confident | 98 Ų | 98 | 38.8 Ų | 38.8 | 46% | 0.458 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -72.1 | -31.1 | 178.5 | -76.8 | 177.6 | 177.8 | 0 | 0 | 113.7 | L393 | L393-E397 VanDerWaalsContact O-CG 3.29Å; L393-E397 WeakPolarHBondContact O-CG 3.47Å; L393-E397 PolarHBondContact O-N 3.45Å; L393-E397 VanDerWaalsContact O-N 3.11Å |
| 398 | I | 86.4 | Confident | 89.5 | Confident | 94 Ų | 94 | 37.5 Ų | 37.5 | 48% | 0.482 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -102.9 | 116.9 | -176.4 | -60.7 | 170.3 | 0 | 0 | 0 | 109.1 | ||
| 399 | G | 79.8 | Confident | 89.5 | Confident | 32 Ų | 32 | 41.3 Ų | 41.3 | 33% | 0.33 | 24% | 0.235 | S | C | . | . | trans | -79.9 | 154.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | P401 E404 | G399-P401 VanDerWaalsContact C-CD 3.49Å; G399-E404 VanDerWaalsContact CA-OE2 3.27Å; G399-E404 WeakPolarHBondContact CA-OE2 3.49Å | ||
| 400 | D | 83.1 | Confident | 89.6 | Confident | 8 Ų | 8 | 40.4 Ų | 40.4 | 4% | 0.043 | 23% | 0.231 | C | C | . | . | trans | -124.7 | 68.9 | 173.6 | 75.8 | -60.1 | 0 | 0 | 0 | 112 | V360 R364 E404 S405 V406 | V360-D400 HydrophobicContact CG1-CB 4.39Å; R364-D400 IonicContact CZ-OD2 2.64Å; R364-D400 IonicContact NE-OD2 2.95Å; R364-D400 PolarHBondContact NE-OD2 3.5Å; R364-D400 IonicContact NH2-OD2 2.81Å; D400-E404 PolarHBondContact N-OE1 3.43Å; D400-E404 PolarHBondContact N-OE2 3.09Å; D400-E404 PolarHBondContact O-N 2.84Å; D400-E404 VanDerWaalsContact O-N 3.1Å; D400-E404 WeakPolarHBondContact OD1-CA 3.23Å; D400-S405 PolarHBondContact OD1-N 2.84Å; D400-S405 PolarHBondContact OD2-OG 3.09Å; D400-V406 HydrophobicContact CB-CG2 4.34Å; D400-V406 VanDerWaalsContact OD1-CB 3.29Å; D400-V406 WeakPolarHBondContact OD1-CB 3.39Å; D400-V406 PolarHBondContact OD1-N 2.94Å | ||
| 401 | P | 76.1 | Confident | 89.7 | Confident | 78 Ų | 78 | 37.9 Ų | 37.9 | 51% | 0.506 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 148 | -179.6 | 25.8 | -33.7 | 0 | 0 | 0 | 111.4 | G399 E404 | G399-P401 VanDerWaalsContact C-CD 3.49Å; P401-E404 WeakPolarHBondContact CD-OE1 3.33Å |
| 402 | P | 74.8 | Confident | 89.8 | Confident | 95 Ų | 95 | 41.6 Ų | 41.6 | 62% | 0.617 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -91.9 | -14.9 | 8.3 | 34.5 | -34.9 | 0 | 0 | 0 | 115.7 | ||
| 403 | E | 80.4 | Confident | 89.8 | Confident | 138 Ų | 138 | 41.6 Ų | 41.6 | 65% | 0.645 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -24.7 | -170.4 | -67.4 | 179 | -176.7 | 0 | 0 | 113.7 | S405 | E403-S405 PolarHBondContact O-N 3.36Š|
| 404 | E | 87.4 | Confident | 89.9 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | trans | 51.1 | 29.2 | -177 | -61.9 | -63.3 | 174.5 | 0 | 0 | 114.4 | G399 D400 P401 V406 R407 L408 L449 V453 L457 | G399-E404 VanDerWaalsContact CA-OE2 3.27Å; G399-E404 WeakPolarHBondContact CA-OE2 3.49Å; D400-E404 PolarHBondContact N-OE1 3.43Å; D400-E404 PolarHBondContact N-OE2 3.09Å; D400-E404 PolarHBondContact O-N 2.84Å; D400-E404 VanDerWaalsContact O-N 3.1Å; D400-E404 WeakPolarHBondContact OD1-CA 3.23Å; P401-E404 WeakPolarHBondContact CD-OE1 3.33Å; E404-V406 PolarHBondContact O-N 3.25Å; E404-R407 PolarHBondContact O-N 3.3Å; E404-R407 IonicContact OE1-CZ 2.89Å; E404-R407 IonicContact OE1-NE 3.96Å; E404-R407 IonicContact OE1-NH2 3.7Å; E404-R407 PolarHBondContact OE1-NH2 3.3Å; E404-R407 IonicContact OE2-CZ 2.89Å; E404-R407 VanDerWaalsContact OE2-CZ 3.24Å; E404-R407 IonicContact OE2-NE 3.12Å; E404-R407 PolarHBondContact OE2-NE 3.41Å; E404-R407 IonicContact OE2-NH2 2.71Å; E404-R407 PolarHBondContact OE2-NH2 3.48Å; E404-L408 WeakPolarHBondContact O-CG 3.42Å; E404-L408 PolarHBondContact O-N 3.22Å; E404-L408 VanDerWaalsContact O-N 3.16Å; E404-L449 HydrophobicContact CG-CD2 3.42Å; E404-L449 VanDerWaalsContact CG-CD2 3.42Å; E404-V453 HydrophobicContact CB-CG1 3.63Å; E404-V453 HydrophobicContact CG-CG1 3.84Å; E404-L457 HydrophobicContact CB-CD1 3.96Å; E404-L457 HydrophobicContact CG-CD1 4.1Å | ||
| 405 | S | 89.4 | Confident | 90.1 | Very high | 36 Ų | 36 | 40 Ų | 40 | 25% | 0.252 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -56.4 | -35.5 | -176.6 | 68.8 | 0 | 0 | 0 | 0 | 111.8 | D400 E403 K409 | D400-S405 PolarHBondContact OD1-N 2.84Å; D400-S405 PolarHBondContact OD2-OG 3.09Å; E403-S405 PolarHBondContact O-N 3.36Å; S405-K409 WeakPolarHBondContact O-CB 3.4Å; S405-K409 VanDerWaalsContact O-CG 3.23Å; S405-K409 WeakPolarHBondContact O-CG 3.4Å; S405-K409 PolarHBondContact O-N 3.24Å; S405-K409 VanDerWaalsContact O-N 3.1Å |
| 406 | V | 93.2 | Very high | 90.1 | Very high | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.024 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.5 | -54.3 | -178.1 | 174.6 | 0 | 0 | 0 | 0 | 109.8 | R364 A367 Y395 D400 E404 L408 K409 M410 | R364-V406 HydrophobicContact CB-CG2 4.35Å; R364-V406 HydrophobicContact CG-CG2 3.67Å; A367-V406 HydrophobicContact CB-CB 4.24Å; A367-V406 HydrophobicContact CB-CG1 3.88Å; A367-V406 HydrophobicContact CB-CG2 4.16Å; Y395-V406 HydrophobicContact CD1-CG1 3.65Å; Y395-V406 HydrophobicContact CG-CG1 4.37Å; D400-V406 HydrophobicContact CB-CG2 4.34Å; D400-V406 VanDerWaalsContact OD1-CB 3.29Å; D400-V406 WeakPolarHBondContact OD1-CB 3.39Å; D400-V406 PolarHBondContact OD1-N 2.94Å; E404-V406 PolarHBondContact O-N 3.25Å; V406-L408 VanDerWaalsContact C-N 3.29Å; V406-L408 PolarHBondContact O-N 3.34Å; V406-K409 PolarHBondContact O-N 2.85Å; V406-K409 VanDerWaalsContact O-N 3.17Å; V406-M410 HydrophobicContact CG1-CG 4.24Å; V406-M410 VanDerWaalsContact O-CG 3.28Å; V406-M410 WeakPolarHBondContact O-CG 3.39Å; V406-M410 PolarHBondContact O-N 3.4Å |
| 407 | R | 93.6 | Very high | 90.2 | Very high | 11 Ų | 11 | 41.4 Ų | 41.4 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.1 | -40 | -176.8 | -68.2 | -164.4 | -77.9 | 176 | -13.1 | 111.4 | L396 E404 M410 L411 L457 | L396-R407 VanDerWaalsContact O-CD 3.3Å; L396-R407 WeakPolarHBondContact O-CD 3.31Å; E404-R407 PolarHBondContact O-N 3.3Å; E404-R407 IonicContact OE1-CZ 2.89Å; E404-R407 IonicContact OE1-NE 3.96Å; E404-R407 IonicContact OE1-NH2 3.7Å; E404-R407 PolarHBondContact OE1-NH2 3.3Å; E404-R407 IonicContact OE2-CZ 2.89Å; E404-R407 VanDerWaalsContact OE2-CZ 3.24Å; E404-R407 IonicContact OE2-NE 3.12Å; E404-R407 PolarHBondContact OE2-NE 3.41Å; E404-R407 IonicContact OE2-NH2 2.71Å; E404-R407 PolarHBondContact OE2-NH2 3.48Å; R407-M410 PolarHBondContact O-N 3.07Å; R407-L411 WeakPolarHBondContact O-CG 3.36Å; R407-L411 PolarHBondContact O-N 3.01Å; R407-L457 HydrophobicContact CB-CD2 3.68Å |
| 408 | L | 94.8 | Very high | 90.4 | Very high | 46 Ų | 46 | 36.9 Ų | 36.9 | 24% | 0.241 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.9 | -48 | 174.9 | -71.4 | 171.1 | 0 | 0 | 0 | 112.3 | E404 V406 M410 L411 E412 Q456 L457 | E404-L408 WeakPolarHBondContact O-CG 3.42Å; E404-L408 PolarHBondContact O-N 3.22Å; E404-L408 VanDerWaalsContact O-N 3.16Å; V406-L408 VanDerWaalsContact C-N 3.29Å; V406-L408 PolarHBondContact O-N 3.34Å; L408-M410 VanDerWaalsContact C-N 3.34Å; L408-M410 PolarHBondContact O-N 2.93Å; L408-L411 PolarHBondContact O-N 3.47Å; L408-E412 PolarHBondContact O-N 2.86Å; L408-E412 VanDerWaalsContact O-N 3.12Å; L408-Q456 HydrophobicContact CD2-CB 3.74Å; L408-L457 HydrophobicContact CD2-CD2 3.69Å; L408-L457 HydrophobicContact CD2-CG 3.95Å; L408-L457 HydrophobicContact CG-CD2 3.84Å; L408-L457 HydrophobicContact CG-CG 4.31Å |
| 409 | K | 95.8 | Very high | 90.8 | Very high | 79 Ų | 79 | 38.7 Ų | 38.7 | 34% | 0.343 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.8 | -35 | 178.7 | -71.1 | -75.6 | 155.8 | -160.1 | 0 | 112.6 | A367 P371 S405 V406 E412 V413 | A367-K409 HydrophobicContact CB-CB 4.35Å; A367-K409 WeakPolarHBondContact O-CB 3.26Å; P371-K409 HydrophobicContact CG-CB 4.44Å; P371-K409 HydrophobicContact CG-CD 3.93Å; S405-K409 WeakPolarHBondContact O-CB 3.4Å; S405-K409 VanDerWaalsContact O-CG 3.23Å; S405-K409 WeakPolarHBondContact O-CG 3.4Å; S405-K409 PolarHBondContact O-N 3.24Å; S405-K409 VanDerWaalsContact O-N 3.1Å; V406-K409 PolarHBondContact O-N 2.85Å; V406-K409 VanDerWaalsContact O-N 3.17Å; K409-E412 IonicContact NZ-OE2 3.29Å; K409-E412 PolarHBondContact NZ-OE2 3.46Å; K409-E412 WeakPolarHBondContact O-CB 3.29Å; K409-E412 PolarHBondContact O-N 2.71Å; K409-V413 WeakPolarHBondContact O-CG2 3.47Å; K409-V413 PolarHBondContact O-N 3.48Å |
| 410 | M | 96.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.6 | -33.2 | 175.3 | -63.8 | -47 | -66.1 | 0 | 0 | 113 | M354 A367 L370 V391 L392 Y395 L396 V406 R407 L408 E412 V413 L414 | M354-M410 HydrophobicContact CE-CE 4.36Å; M354-M410 HydrophobicContact CE-SD 4.26Å; A367-M410 HydrophobicContact CB-SD 4.06Å; L370-M410 HydrophobicContact CD2-CE 3.72Å; L370-M410 HydrophobicContact CD2-SD 4.12Å; V391-M410 HydrophobicContact CG1-CE 4.09Å; L392-M410 HydrophobicContact CD2-CB 4.4Å; L392-M410 HydrophobicContact CD2-CE 3.58Å; L392-M410 WeakPolarHBondContact CD2-O 3.29Å; L392-M410 HydrophobicContact CG-CE 4.1Å; Y395-M410 HydrophobicContact CD1-CG 4.3Å; Y395-M410 HydrophobicContact CD1-SD 4.15Å; Y395-M410 HydrophobicContact CG-CE 4.5Å; Y395-M410 HydrophobicContact CG-CG 4.36Å; Y395-M410 HydrophobicContact CG-SD 4.43Å; L396-M410 HydrophobicContact CD2-CB 3.81Å; L396-M410 HydrophobicContact CG-CB 4.1Å; V406-M410 HydrophobicContact CG1-CG 4.24Å; V406-M410 VanDerWaalsContact O-CG 3.28Å; V406-M410 WeakPolarHBondContact O-CG 3.39Å; V406-M410 PolarHBondContact O-N 3.4Å; R407-M410 PolarHBondContact O-N 3.07Å; L408-M410 VanDerWaalsContact C-N 3.34Å; L408-M410 PolarHBondContact O-N 2.93Å; M410-E412 VanDerWaalsContact C-N 3.33Å; M410-V413 PolarHBondContact O-N 3.5Å; M410-L414 WeakPolarHBondContact O-CB 2.87Å; M410-L414 PolarHBondContact O-N 3.38Å |
| 411 | L | 96.9 | Very high | 91.7 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.8 | -41.3 | 170.2 | -73.4 | 170 | 0 | 0 | 0 | 110.9 | L396 R407 L408 V413 L414 Q415 L436 L439 L457 | L396-L411 HydrophobicContact CD2-CD2 3.9Å; L396-L411 HydrophobicContact CD2-CG 3.78Å; R407-L411 WeakPolarHBondContact O-CG 3.36Å; R407-L411 PolarHBondContact O-N 3.01Å; L408-L411 PolarHBondContact O-N 3.47Å; L411-V413 PolarHBondContact O-N 3.36Å; L411-L414 WeakPolarHBondContact O-CB 3.46Å; L411-L414 PolarHBondContact O-N 3.37Å; L411-Q415 VanDerWaalsContact O-CG 3.23Å; L411-Q415 WeakPolarHBondContact O-CG 3.15Å; L411-Q415 PolarHBondContact O-N 3.05Å; L411-L436 HydrophobicContact CD2-CD2 3.81Å; L411-L439 HydrophobicContact CD1-CD2 4.34Å; L411-L439 HydrophobicContact CD2-CD2 4.18Å; L411-L457 HydrophobicContact CD1-CD2 4.07Å |
| 412 | E | 96.6 | Very high | 92.3 | Very high | 80 Ų | 80 | 42.9 Ų | 42.9 | 37% | 0.374 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -58.5 | -47.8 | 173.7 | -170 | -175.1 | 161.4 | 0 | 0 | 111.3 | P371 L408 K409 M410 L414 Q415 S416 | P371-E412 HydrophobicContact CB-CG 4.49Å; L408-E412 PolarHBondContact O-N 2.86Å; L408-E412 VanDerWaalsContact O-N 3.12Å; K409-E412 IonicContact NZ-OE2 3.29Å; K409-E412 PolarHBondContact NZ-OE2 3.46Å; K409-E412 WeakPolarHBondContact O-CB 3.29Å; K409-E412 PolarHBondContact O-N 2.71Å; M410-E412 VanDerWaalsContact C-N 3.33Å; E412-L414 PolarHBondContact O-N 3.15Å; E412-Q415 PolarHBondContact O-N 2.98Å; E412-S416 PolarHBondContact O-N 2.81Å; E412-S416 PolarHBondContact O-OG 2.94Å |
| 413 | V | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.4 | -43.7 | 175.5 | 174.6 | 0 | 0 | 0 | 0 | 111.6 | L370 P371 V374 L388 L392 K409 M410 L411 S416 T417 | L370-V413 HydrophobicContact CB-CG2 4.1Å; L370-V413 HydrophobicContact CD2-CB 4.49Å; L370-V413 HydrophobicContact CD2-CG1 3.95Å; L370-V413 HydrophobicContact CD2-CG2 3.99Å; L370-V413 HydrophobicContact CG-CG1 4.16Å; L370-V413 HydrophobicContact CG-CG2 3.81Å; P371-V413 HydrophobicContact CB-CG2 4.23Å; P371-V413 HydrophobicContact CG-CG2 3.78Å; V374-V413 HydrophobicContact CG2-CG1 4.05Å; L388-V413 HydrophobicContact CD1-CG1 4.18Å; L392-V413 HydrophobicContact CD2-CB 4.2Å; L392-V413 HydrophobicContact CD2-CG1 3.98Å; K409-V413 WeakPolarHBondContact O-CG2 3.47Å; K409-V413 PolarHBondContact O-N 3.48Å; M410-V413 PolarHBondContact O-N 3.5Å; L411-V413 PolarHBondContact O-N 3.36Å; V413-S416 PolarHBondContact O-N 2.94Å; V413-T417 VanDerWaalsContact O-CB 3.26Å; V413-T417 WeakPolarHBondContact O-CB 3.4Å; V413-T417 PolarHBondContact O-N 3.4Å; V413-T417 PolarHBondContact O-OG1 3.47Å |
| 414 | L | 96.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.8 | -50.1 | 178.7 | 178.1 | 57.7 | 0 | 0 | 0 | 110.8 | L392 L396 M410 L411 E412 S416 T417 I418 L432 L436 | L392-L414 HydrophobicContact CD1-CD1 4.23Å; L392-L414 HydrophobicContact CD2-CB 4.07Å; L396-L414 HydrophobicContact CD1-CD2 4.27Å; M410-L414 WeakPolarHBondContact O-CB 2.87Å; M410-L414 PolarHBondContact O-N 3.38Å; L411-L414 WeakPolarHBondContact O-CB 3.46Å; L411-L414 PolarHBondContact O-N 3.37Å; E412-L414 PolarHBondContact O-N 3.15Å; L414-S416 PolarHBondContact O-N 2.89Å; L414-T417 PolarHBondContact O-N 3.32Å; L414-I418 HydrophobicContact CD1-CD1 3.85Å; L414-I418 HydrophobicContact CD1-CG1 4.11Å; L414-I418 HydrophobicContact CG-CD1 3.86Å; L414-I418 VanDerWaalsContact O-CG1 3.31Å; L414-I418 WeakPolarHBondContact O-CG1 3.37Å; L414-I418 PolarHBondContact O-N 2.99Å; L414-L432 HydrophobicContact CD1-CD1 4.11Å; L414-L432 HydrophobicContact CD1-CD2 3.66Å; L414-L432 HydrophobicContact CD2-CD2 4.46Å; L414-L436 HydrophobicContact CD2-CD1 4.23Å; L414-L436 HydrophobicContact CD2-CD2 4Å; L414-L436 HydrophobicContact CD2-CG 4.4Å |
| 415 | Q | 96 | Very high | 93.7 | Very high | 31 Ų | 31 | 41.1 Ų | 41.1 | 15% | 0.145 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.6 | -46.8 | -179.8 | -67.5 | 176 | 34.7 | 0 | 0 | 111.5 | L411 E412 T417 I418 R419 G460 S464 L467 | L411-Q415 VanDerWaalsContact O-CG 3.23Å; L411-Q415 WeakPolarHBondContact O-CG 3.15Å; L411-Q415 PolarHBondContact O-N 3.05Å; E412-Q415 PolarHBondContact O-N 2.98Å; Q415-T417 VanDerWaalsContact C-N 3.34Å; Q415-T417 PolarHBondContact O-N 3.49Å; Q415-I418 PolarHBondContact O-N 3.34Å; Q415-R419 WeakPolarHBondContact O-CG 3.38Å; Q415-R419 PolarHBondContact O-N 3.03Å; Q415-G460 PolarHBondContact NE2-O 3.17Å; Q415-S464 WeakPolarHBondContact CG-OG 3.21Å; Q415-L467 HydrophobicContact CB-CD1 3.64Å; Q415-L467 HydrophobicContact CG-CD1 3.79Å |
| 416 | S | 95 | Very high | 93.6 | Very high | 34 Ų | 34 | 41.9 Ų | 41.9 | 24% | 0.238 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.9 | -41.4 | 176.1 | -68.3 | 0 | 0 | 0 | 0 | 111.9 | E412 V413 L414 R419 L420 | E412-S416 PolarHBondContact O-N 2.81Å; E412-S416 PolarHBondContact O-OG 2.94Å; V413-S416 PolarHBondContact O-N 2.94Å; L414-S416 PolarHBondContact O-N 2.89Å; S416-R419 PolarHBondContact O-N 2.98Å; S416-L420 WeakPolarHBondContact O-CB 3.3Å; S416-L420 VanDerWaalsContact O-CG 3.23Å; S416-L420 WeakPolarHBondContact O-CG 3.23Å; S416-L420 PolarHBondContact O-N 2.95Å |
| 417 | T | 94.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.6 | -42.6 | 177.3 | -58.4 | 0 | 0 | 0 | 0 | 111.9 | L385 L388 M389 V413 L414 Q415 R419 L420 A421 | L385-T417 HydrophobicContact CD2-CG2 3.55Å; L388-T417 HydrophobicContact CD2-CG2 3.81Å; M389-T417 HydrophobicContact CE-CG2 4.19Å; V413-T417 VanDerWaalsContact O-CB 3.26Å; V413-T417 WeakPolarHBondContact O-CB 3.4Å; V413-T417 PolarHBondContact O-N 3.4Å; V413-T417 PolarHBondContact O-OG1 3.47Å; L414-T417 PolarHBondContact O-N 3.32Å; Q415-T417 VanDerWaalsContact C-N 3.34Å; Q415-T417 PolarHBondContact O-N 3.49Å; T417-R419 VanDerWaalsContact C-N 3.34Å; T417-R419 PolarHBondContact O-N 3.46Å; T417-L420 PolarHBondContact O-N 3.42Å; T417-A421 WeakPolarHBondContact O-CB 3.44Å; T417-A421 PolarHBondContact O-N 2.89Å |
| 418 | I | 94.7 | Very high | 93.3 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.015 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.5 | -44.7 | 176.4 | -67.9 | 164.7 | 0 | 0 | 0 | 109.9 | L414 Q415 W422 M425 L467 L468 A471 | L414-I418 HydrophobicContact CD1-CD1 3.85Å; L414-I418 HydrophobicContact CD1-CG1 4.11Å; L414-I418 HydrophobicContact CG-CD1 3.86Å; L414-I418 VanDerWaalsContact O-CG1 3.31Å; L414-I418 WeakPolarHBondContact O-CG1 3.37Å; L414-I418 PolarHBondContact O-N 2.99Å; Q415-I418 PolarHBondContact O-N 3.34Å; I418-W422 WeakPolarHBondContact O-CA 3.37Å; I418-W422 WeakPolarHBondContact O-CB 3.49Å; I418-W422 PolarHBondContact O-N 3.37Å; I418-M425 HydrophobicContact CB-CG 4.48Å; I418-M425 HydrophobicContact CG1-CG 4.32Å; I418-M425 HydrophobicContact CG1-SD 4.02Å; I418-M425 HydrophobicContact CG2-CG 4.3Å; I418-L467 HydrophobicContact CB-CB 4.39Å; I418-L467 HydrophobicContact CD1-CB 4.36Å; I418-L467 HydrophobicContact CG2-CB 3.79Å; I418-L468 HydrophobicContact CD1-CB 4.33Å; I418-L468 HydrophobicContact CD1-CD1 4.37Å; I418-A471 HydrophobicContact CG2-CB 3.98Å |
| 419 | R | 93.5 | Very high | 93.2 | Very high | 133 Ų | 133 | 46.2 Ų | 46.2 | 50% | 0.502 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.6 | -45.9 | 178.1 | -68.4 | 176.4 | -168.6 | 117.8 | -0.3 | 112 | Q415 S416 T417 L467 | Q415-R419 WeakPolarHBondContact O-CG 3.38Å; Q415-R419 PolarHBondContact O-N 3.03Å; S416-R419 PolarHBondContact O-N 2.98Å; T417-R419 VanDerWaalsContact C-N 3.34Å; T417-R419 PolarHBondContact O-N 3.46Å; R419-L467 HydrophobicContact CG-CD1 4.36Å; R419-L467 HydrophobicContact CG-CD2 4.17Å |
| 420 | L | 91.4 | Very high | 93 | Very high | 50 Ų | 50 | 45.1 Ų | 45.1 | 26% | 0.262 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -74.5 | -30.4 | -176.3 | -69.1 | 169 | 0 | 0 | 0 | 113.6 | V374 V379 V381 S416 T417 | V374-L420 HydrophobicContact CG1-CD1 4.16Å; V379-L420 HydrophobicContact CG2-CD2 4.28Å; V381-L420 HydrophobicContact CG1-CB 3.97Å; V381-L420 HydrophobicContact CG1-CD1 4.36Å; S416-L420 WeakPolarHBondContact O-CB 3.3Å; S416-L420 VanDerWaalsContact O-CG 3.23Å; S416-L420 WeakPolarHBondContact O-CG 3.23Å; S416-L420 PolarHBondContact O-N 2.95Å; T417-L420 PolarHBondContact O-N 3.42Å |
| 421 | A | 91.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -124.8 | 26.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V381 C382 L385 T417 P423 R424 M425 | V381-A421 HydrophobicContact CG1-CB 4.3Å; C382-A421 WeakPolarHBondContact SG-CB 3.46Å; L385-A421 HydrophobicContact CD1-CB 4.07Å; L385-A421 HydrophobicContact CD2-CB 4.25Å; T417-A421 WeakPolarHBondContact O-CB 3.44Å; T417-A421 PolarHBondContact O-N 2.89Å; A421-P423 VanDerWaalsContact C-N 3.29Å; A421-P423 WeakPolarHBondContact O-CD 3.46Å; A421-P423 VanDerWaalsContact O-N 3.08Å; A421-R424 PolarHBondContact O-N 3.48Å; A421-M425 HydrophobicContact CB-CE 3.95Å; A421-M425 WeakPolarHBondContact O-CE 3.35Å |
| 422 | W | 89.5 | Confident | 92.8 | Very high | 155 Ų | 155 | 47.5 Ų | 47.5 | 59% | 0.587 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -46.8 | -39.6 | -175.9 | 74.1 | -96.2 | 0 | 0 | 0 | 114.7 | I418 R424 M425 A471 | I418-W422 WeakPolarHBondContact O-CA 3.37Å; I418-W422 WeakPolarHBondContact O-CB 3.49Å; I418-W422 PolarHBondContact O-N 3.37Å; W422-R424 PolarHBondContact O-N 2.91Å; W422-M425 PolarHBondContact O-N 2.94Å; W422-M425 VanDerWaalsContact O-N 3.15Å; W422-A471 HydrophobicContact CB-CB 4.11Å |
| 423 | P | 88.6 | Confident | 92.6 | Very high | 85 Ų | 85 | 44.3 Ų | 44.3 | 55% | 0.552 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -64.8 | -19.8 | -177.4 | -19.5 | 33.1 | 0 | 0 | 0 | 113.1 | A421 | A421-P423 VanDerWaalsContact C-N 3.29Å; A421-P423 WeakPolarHBondContact O-CD 3.46Å; A421-P423 VanDerWaalsContact O-N 3.08Å |
| 424 | R | 90.8 | Very high | 92.5 | Very high | 112 Ų | 112 | 53.2 Ų | 53.2 | 42% | 0.423 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -102.9 | 4.1 | -176 | -58.6 | -173.1 | 71.1 | -161.7 | -0.9 | 113 | C382 L385 A421 W422 R428 | C382-R424 PolarHBondContact O-NH1 3.2Å; L385-R424 HydrophobicContact CD1-CB 3.87Å; A421-R424 PolarHBondContact O-N 3.48Å; W422-R424 PolarHBondContact O-N 2.91Å; R424-R428 PolarHBondContact O-NH1 2.89Å |
| 425 | M | 90.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -80.2 | -24.2 | -176.5 | -66.1 | -59.7 | 101.9 | 0 | 0 | 113.3 | L385 I418 A421 W422 S427 R428 A429 L468 A471 | L385-M425 HydrophobicContact CD1-CE 3.91Å; L385-M425 HydrophobicContact CD2-CE 3.87Å; I418-M425 HydrophobicContact CB-CG 4.48Å; I418-M425 HydrophobicContact CG1-CG 4.32Å; I418-M425 HydrophobicContact CG1-SD 4.02Å; I418-M425 HydrophobicContact CG2-CG 4.3Å; A421-M425 HydrophobicContact CB-CE 3.95Å; A421-M425 WeakPolarHBondContact O-CE 3.35Å; W422-M425 PolarHBondContact O-N 2.94Å; W422-M425 VanDerWaalsContact O-N 3.15Å; M425-S427 VanDerWaalsContact C-N 3.32Å; M425-S427 PolarHBondContact O-N 3.29Å; M425-R428 CarbonylContact O-C 3.58Å; M425-R428 PolarHBondContact O-N 3.08Å; M425-A429 PolarHBondContact O-N 2.64Å; M425-L468 HydrophobicContact CB-CD1 4.39Å; M425-A471 HydrophobicContact CB-CB 4.02Å; M425-A471 HydrophobicContact CG-CB 4.37Å | ||
| 426 | A | 88.4 | Confident | 92.3 | Very high | 53 Ų | 53 | 52 Ų | 52 | 44% | 0.438 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -53.9 | -42.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | R428 | A426-R428 PolarHBondContact O-N 3.47Š|
| 427 | S | 89.4 | Confident | 92.2 | Very high | 99 Ų | 99 | 52.7 Ų | 52.7 | 69% | 0.692 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -77.1 | -8 | 179.7 | 61.5 | 0 | 0 | 0 | 0 | 114.5 | M425 | M425-S427 VanDerWaalsContact C-N 3.32Å; M425-S427 PolarHBondContact O-N 3.29Å |
| 428 | R | 91.6 | Very high | 92.1 | Very high | 50 Ų | 50 | 60 Ų | 60 | 19% | 0.189 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -111.4 | -8.2 | -178.7 | -65.9 | 162.4 | 176.1 | 75.9 | 10.8 | 112.4 | M389 R424 M425 A426 D430 A431 L432 | M389-R428 HydrophobicContact CG-CG 4.16Å; M389-R428 HydrophobicContact SD-CB 4.37Å; M389-R428 HydrophobicContact SD-CG 4.34Å; R424-R428 PolarHBondContact O-NH1 2.89Å; M425-R428 CarbonylContact O-C 3.58Å; M425-R428 PolarHBondContact O-N 3.08Å; A426-R428 PolarHBondContact O-N 3.47Å; R428-D430 VanDerWaalsContact C-N 3.34Å; R428-D430 PolarHBondContact O-N 2.95Å; R428-A431 PolarHBondContact O-N 3.21Å; R428-L432 HydrophobicContact CB-CD1 4.24Å; R428-L432 WeakPolarHBondContact O-CG 3.32Å; R428-L432 PolarHBondContact O-N 2.76Å; R428-L432 VanDerWaalsContact O-N 3.12Å |
| 429 | A | 91.1 | Very high | 92 | Very high | 2 Ų | 2 | 60 Ų | 60 | 2% | 0.017 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.4 | -42.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113 | M425 A431 L432 L433 L468 T472 | M425-A429 PolarHBondContact O-N 2.64Å; A429-A431 PolarHBondContact O-N 3.31Å; A429-L432 PolarHBondContact O-N 3.23Å; A429-L433 WeakPolarHBondContact O-CB 3.42Å; A429-L433 PolarHBondContact O-N 3.31Å; A429-L468 HydrophobicContact CB-CD1 4.27Å; A429-L468 HydrophobicContact CB-CD2 4.48Å; A429-L468 HydrophobicContact CB-CG 4.44Å; A429-T472 HydrophobicContact CB-CG2 3.53Å |
| 430 | D | 92.2 | Very high | 91.9 | Very high | 57 Ų | 57 | 53.7 Ų | 53.7 | 31% | 0.305 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66 | -39.3 | -176.6 | -63.8 | -38 | 0 | 0 | 0 | 112.1 | R428 R434 R475 | R428-D430 VanDerWaalsContact C-N 3.34Å; R428-D430 PolarHBondContact O-N 2.95Å; D430-R434 VanDerWaalsContact O-CG 3.3Å; D430-R434 WeakPolarHBondContact O-CG 3.5Å; D430-R434 PolarHBondContact O-N 3.34Å; D430-R434 VanDerWaalsContact O-N 3.16Å; D430-R475 IonicContact OD1-CZ 3.39Å; D430-R475 IonicContact OD1-NH1 3.72Å; D430-R475 IonicContact OD1-NH2 3.78Å; D430-R475 PolarHBondContact OD1-NH2 3.45Å; D430-R475 IonicContact OD2-CZ 3.5Å; D430-R475 IonicContact OD2-NH1 3.4Å; D430-R475 PolarHBondContact OD2-NH1 3.46Å; D430-R475 IonicContact OD2-NH2 2.68Å; D430-R475 PolarHBondContact OD2-NH2 3.1Å |
| 431 | A | 94.3 | Very high | 91.9 | Very high | 49 Ų | 49 | 54.9 Ų | 54.9 | 41% | 0.405 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.6 | -45.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | L393 R428 A429 R434 C435 | L393-A431 HydrophobicContact CD1-CB 4.31Å; R428-A431 PolarHBondContact O-N 3.21Å; A429-A431 PolarHBondContact O-N 3.31Å; A431-R434 PolarHBondContact O-N 3.25Å; A431-C435 WeakPolarHBondContact O-CB 3.38Å; A431-C435 PolarHBondContact O-N 2.89Å |
| 432 | L | 94.3 | Very high | 91.9 | Very high | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.016 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 177.5 | -70.7 | 171.5 | 0 | 0 | 0 | 111.9 | M389 L393 L414 R428 A429 C435 L436 L468 | M389-L432 HydrophobicContact SD-CD1 4.32Å; M389-L432 HydrophobicContact SD-CD2 4.29Å; L393-L432 HydrophobicContact CD2-CD2 4.11Å; L414-L432 HydrophobicContact CD1-CD1 4.11Å; L414-L432 HydrophobicContact CD1-CD2 3.66Å; L414-L432 HydrophobicContact CD2-CD2 4.46Å; R428-L432 HydrophobicContact CB-CD1 4.24Å; R428-L432 WeakPolarHBondContact O-CG 3.32Å; R428-L432 PolarHBondContact O-N 2.76Å; R428-L432 VanDerWaalsContact O-N 3.12Å; A429-L432 PolarHBondContact O-N 3.23Å; L432-C435 PolarHBondContact O-N 3.41Å; L432-L436 WeakPolarHBondContact O-CB 3.43Å; L432-L436 VanDerWaalsContact O-CG 3.28Å; L432-L436 WeakPolarHBondContact O-CG 3.35Å; L432-L436 PolarHBondContact O-N 2.95Å; L432-L468 HydrophobicContact CB-CD2 3.92Å; L432-L468 HydrophobicContact CD1-CD1 3.99Å |
| 433 | L | 94.3 | Very high | 91.9 | Very high | 13 Ų | 13 | 50.7 Ų | 50.7 | 7% | 0.068 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60 | -48.3 | 177.7 | 177.9 | 57.7 | 0 | 0 | 0 | 111.2 | A429 C435 L436 L437 L465 L468 V476 L479 L480 | A429-L433 WeakPolarHBondContact O-CB 3.42Å; A429-L433 PolarHBondContact O-N 3.31Å; L433-C435 VanDerWaalsContact C-N 3.35Å; L433-C435 PolarHBondContact O-N 3.05Å; L433-L436 PolarHBondContact O-N 3.33Å; L433-L437 HydrophobicContact CD1-CD1 3.91Å; L433-L437 HydrophobicContact CD1-CG 4.04Å; L433-L437 HydrophobicContact CG-CD1 4.01Å; L433-L437 WeakPolarHBondContact O-CB 3.29Å; L433-L437 VanDerWaalsContact O-CG 3.27Å; L433-L437 WeakPolarHBondContact O-CG 3.35Å; L433-L437 PolarHBondContact O-N 3.11Å; L433-L465 HydrophobicContact CD1-CD2 3.52Å; L433-L468 HydrophobicContact CB-CD2 4.42Å; L433-V476 HydrophobicContact CD1-CG1 3.76Å; L433-V476 HydrophobicContact CD2-CG1 4.3Å; L433-L479 HydrophobicContact CD2-CB 4.3Å; L433-L479 HydrophobicContact CD2-CD1 3.87Å; L433-L480 HydrophobicContact CD1-CD2 4.02Å |
| 434 | R | 94.2 | Very high | 91.9 | Very high | 188 Ų | 188 | 48 Ų | 48 | 71% | 0.709 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -60.7 | -44.3 | 177.3 | -71.4 | 176.1 | -165.2 | 178.4 | 4.1 | 112 | D430 A431 L437 R438 | D430-R434 VanDerWaalsContact O-CG 3.3Å; D430-R434 WeakPolarHBondContact O-CG 3.5Å; D430-R434 PolarHBondContact O-N 3.34Å; D430-R434 VanDerWaalsContact O-N 3.16Å; A431-R434 PolarHBondContact O-N 3.25Å; R434-L437 PolarHBondContact O-N 3.45Å; R434-R438 WeakPolarHBondContact O-CB 3.27Å; R434-R438 PolarHBondContact O-N 2.98Å |
| 435 | C | 94.8 | Very high | 91.7 | Very high | 6 Ų | 6 | 46.3 Ų | 46.3 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.4 | -46.9 | 178.2 | -179.2 | 0 | 0 | 0 | 0 | 111.8 | L393 A431 L432 L433 R438 L439 | L393-C435 HydrophobicContact CD2-CB 3.5Å; L393-C435 VanDerWaalsContact CD2-CB 3.5Å; A431-C435 WeakPolarHBondContact O-CB 3.38Å; A431-C435 PolarHBondContact O-N 2.89Å; L432-C435 PolarHBondContact O-N 3.41Å; L433-C435 VanDerWaalsContact C-N 3.35Å; L433-C435 PolarHBondContact O-N 3.05Å; C435-R438 PolarHBondContact O-N 3.03Å; C435-L439 WeakPolarHBondContact O-CB 3.28Å; C435-L439 PolarHBondContact O-N 3.24Å |
| 436 | L | 94.5 | Very high | 91.4 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65 | -40 | 178.4 | -71.4 | 169.9 | 0 | 0 | 0 | 112.7 | L411 L414 L432 L433 L439 L440 L465 | L411-L436 HydrophobicContact CD2-CD2 3.81Å; L414-L436 HydrophobicContact CD2-CD1 4.23Å; L414-L436 HydrophobicContact CD2-CD2 4Å; L414-L436 HydrophobicContact CD2-CG 4.4Å; L432-L436 WeakPolarHBondContact O-CB 3.43Å; L432-L436 VanDerWaalsContact O-CG 3.28Å; L432-L436 WeakPolarHBondContact O-CG 3.35Å; L432-L436 PolarHBondContact O-N 2.95Å; L433-L436 PolarHBondContact O-N 3.33Å; L436-L439 PolarHBondContact O-N 3.19Å; L436-L440 WeakPolarHBondContact O-CG 3.42Å; L436-L440 PolarHBondContact O-N 3.08Å; L436-L465 HydrophobicContact CB-CD2 3.93Å; L436-L465 HydrophobicContact CB-CG 4.27Å; L436-L465 HydrophobicContact CD1-CD2 3.65Å; L436-L465 HydrophobicContact CD1-CG 3.96Å; L436-L465 HydrophobicContact CG-CD2 4.45Å |
| 437 | L | 92.5 | Very high | 91 | Very high | 48 Ų | 48 | 52.2 Ų | 52.2 | 25% | 0.251 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.8 | -42 | 175.7 | -72 | 175 | 0 | 0 | 0 | 111.7 | L433 R434 L440 V441 L480 L496 | L433-L437 HydrophobicContact CD1-CD1 3.91Å; L433-L437 HydrophobicContact CD1-CG 4.04Å; L433-L437 HydrophobicContact CG-CD1 4.01Å; L433-L437 WeakPolarHBondContact O-CB 3.29Å; L433-L437 VanDerWaalsContact O-CG 3.27Å; L433-L437 WeakPolarHBondContact O-CG 3.35Å; L433-L437 PolarHBondContact O-N 3.11Å; R434-L437 PolarHBondContact O-N 3.45Å; L437-L440 PolarHBondContact O-N 3.4Å; L437-V441 WeakPolarHBondContact O-CG2 3.44Å; L437-V441 PolarHBondContact O-N 3.24Å; L437-V441 VanDerWaalsContact O-N 3.1Å; L437-L480 HydrophobicContact CD1-CD2 4.29Å; L437-L480 HydrophobicContact CD2-CD2 3.91Å; L437-L496 HydrophobicContact CD2-CD2 3.74Å |
| 438 | R | 92.8 | Very high | 90.5 | Very high | 152 Ų | 152 | 50.1 Ų | 50.1 | 57% | 0.574 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -60.8 | -47.7 | 174.7 | -173.8 | 176.1 | -168.9 | 165.7 | 6.3 | 111.1 | R434 C435 L440 V441 D442 | R434-R438 WeakPolarHBondContact O-CB 3.27Å; R434-R438 PolarHBondContact O-N 2.98Å; C435-R438 PolarHBondContact O-N 3.03Å; R438-L440 VanDerWaalsContact C-N 3.32Å; R438-L440 PolarHBondContact O-N 3.19Å; R438-V441 PolarHBondContact O-N 2.95Å; R438-V441 VanDerWaalsContact O-N 3.11Å; R438-D442 WeakPolarHBondContact CG-OD2 3.47Å; R438-D442 VanDerWaalsContact O-CG 3.24Å; R438-D442 PolarHBondContact O-N 2.9Å |
| 439 | L | 92.6 | Very high | 90.2 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.3 | -45.7 | 176 | 176.2 | 62.1 | 0 | 0 | 0 | 112.1 | L396 L411 C435 L436 V441 D442 V443 S461 | L396-L439 HydrophobicContact CD2-CD2 4.14Å; L411-L439 HydrophobicContact CD1-CD2 4.34Å; L411-L439 HydrophobicContact CD2-CD2 4.18Å; C435-L439 WeakPolarHBondContact O-CB 3.28Å; C435-L439 PolarHBondContact O-N 3.24Å; L436-L439 PolarHBondContact O-N 3.19Å; L439-V441 VanDerWaalsContact C-N 3.33Å; L439-V441 PolarHBondContact O-N 3.39Å; L439-D442 PolarHBondContact O-N 3.46Å; L439-V443 HydrophobicContact CD1-CG2 3.74Å; L439-V443 HydrophobicContact CG-CG2 4.31Å; L439-V443 VanDerWaalsContact O-CB 3.31Å; L439-V443 WeakPolarHBondContact O-CB 3.36Å; L439-V443 WeakPolarHBondContact O-CG2 3.24Å; L439-V443 PolarHBondContact O-N 3.33Å; L439-S461 WeakPolarHBondContact CD2-OG 3.48Å |
| 440 | L | 91.6 | Very high | 90 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.3 | -42.3 | 177.3 | -77.7 | 172.6 | 0 | 0 | 0 | 112.3 | L436 L437 R438 S444 M458 L465 V492 C495 L496 | L436-L440 WeakPolarHBondContact O-CG 3.42Å; L436-L440 PolarHBondContact O-N 3.08Å; L437-L440 PolarHBondContact O-N 3.4Å; R438-L440 VanDerWaalsContact C-N 3.32Å; R438-L440 PolarHBondContact O-N 3.19Å; L440-S444 WeakPolarHBondContact O-CB 3.24Å; L440-S444 PolarHBondContact O-N 3.09Å; L440-S444 VanDerWaalsContact O-N 3.13Å; L440-S444 PolarHBondContact O-OG 3.46Å; L440-M458 HydrophobicContact CD2-CB 4.41Å; L440-M458 HydrophobicContact CD2-CE 4.32Å; L440-M458 HydrophobicContact CD2-CG 4.24Å; L440-L465 HydrophobicContact CD1-CD1 4Å; L440-V492 HydrophobicContact CB-CG1 4.43Å; L440-V492 HydrophobicContact CB-CG2 4.2Å; L440-V492 WeakPolarHBondContact O-CG2 3.34Å; L440-C495 HydrophobicContact CD2-CB 4.21Å; L440-L496 HydrophobicContact CD1-CD2 4.31Å |
| 441 | V | 90.8 | Very high | 89.8 | Confident | 75 Ų | 75 | 54.1 Ų | 54.1 | 46% | 0.455 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65 | -50.5 | 176.9 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | L437 R438 L439 V443 S444 A445 | L437-V441 WeakPolarHBondContact O-CG2 3.44Å; L437-V441 PolarHBondContact O-N 3.24Å; L437-V441 VanDerWaalsContact O-N 3.1Å; R438-V441 PolarHBondContact O-N 2.95Å; R438-V441 VanDerWaalsContact O-N 3.11Å; L439-V441 VanDerWaalsContact C-N 3.33Å; L439-V441 PolarHBondContact O-N 3.39Å; V441-V443 PolarHBondContact O-N 3.35Å; V441-S444 PolarHBondContact O-N 3.36Å; V441-S444 PolarHBondContact O-OG 2.91Å; V441-A445 WeakPolarHBondContact O-CB 3.49Å; V441-A445 PolarHBondContact O-N 3.46Å |
| 442 | D | 90 | Very high | 89.7 | Confident | 67 Ų | 67 | 55.5 Ų | 55.5 | 36% | 0.358 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.4 | -45.6 | -178.2 | -65.8 | -18.2 | 0 | 0 | 0 | 111.2 | R438 L439 S444 A445 D446 | R438-D442 WeakPolarHBondContact CG-OD2 3.47Å; R438-D442 VanDerWaalsContact O-CG 3.24Å; R438-D442 PolarHBondContact O-N 2.9Å; L439-D442 PolarHBondContact O-N 3.46Å; D442-S444 VanDerWaalsContact C-N 3.34Å; D442-S444 PolarHBondContact O-N 2.96Å; D442-A445 PolarHBondContact O-N 3.39Å; D442-D446 WeakPolarHBondContact O-CB 3.43Å; D442-D446 PolarHBondContact O-N 3.03Å; D442-D446 VanDerWaalsContact O-N 3.12Å |
| 443 | V | 89.5 | Confident | 89.4 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.5 | -35.2 | 178.4 | 169.2 | 0 | 0 | 0 | 0 | 112.4 | L439 V441 A445 L449 R454 L457 M458 | L439-V443 HydrophobicContact CD1-CG2 3.74Å; L439-V443 HydrophobicContact CG-CG2 4.31Å; L439-V443 VanDerWaalsContact O-CB 3.31Å; L439-V443 WeakPolarHBondContact O-CB 3.36Å; L439-V443 WeakPolarHBondContact O-CG2 3.24Å; L439-V443 PolarHBondContact O-N 3.33Å; V441-V443 PolarHBondContact O-N 3.35Å; V443-A445 VanDerWaalsContact C-N 3.35Å; V443-L449 HydrophobicContact CG1-CD1 4.21Å; V443-L449 HydrophobicContact CG2-CD1 4.48Å; V443-R454 HydrophobicContact CG1-CB 4.4Å; V443-R454 HydrophobicContact CG1-CG 3.63Å; V443-R454 PolarHBondContact O-NE 2.95Å; V443-L457 HydrophobicContact CG1-CB 4.14Å; V443-L457 HydrophobicContact CG1-CD1 4.31Å; V443-L457 HydrophobicContact CG2-CB 4.22Å; V443-L457 HydrophobicContact CG2-CD1 3.81Å; V443-M458 HydrophobicContact CG1-CG 3.99Å |
| 444 | S | 88.8 | Confident | 89.3 | Confident | 28 Ų | 28 | 56.8 Ų | 56.8 | 20% | 0.196 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -74 | -27 | 177.7 | 76.6 | 0 | 0 | 0 | 0 | 113.2 | L440 V441 D442 S489 | L440-S444 WeakPolarHBondContact O-CB 3.24Å; L440-S444 PolarHBondContact O-N 3.09Å; L440-S444 VanDerWaalsContact O-N 3.13Å; L440-S444 PolarHBondContact O-OG 3.46Å; V441-S444 PolarHBondContact O-N 3.36Å; V441-S444 PolarHBondContact O-OG 2.91Å; D442-S444 VanDerWaalsContact C-N 3.34Å; D442-S444 PolarHBondContact O-N 2.96Å; S444-S489 WeakPolarHBondContact CB-OG 3.35Å; S444-S489 PolarHBondContact OG-OG 3.03Å; S444-S489 VanDerWaalsContact OG-OG 3.1Å |
| 445 | A | 86.9 | Confident | 89.2 | Confident | 76 Ų | 76 | 52.6 Ų | 52.6 | 63% | 0.628 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -89.7 | -15.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V441 D442 V443 P447 | V441-A445 WeakPolarHBondContact O-CB 3.49Å; V441-A445 PolarHBondContact O-N 3.46Å; D442-A445 PolarHBondContact O-N 3.39Å; V443-A445 VanDerWaalsContact C-N 3.35Å; A445-P447 VanDerWaalsContact O-CD 3.24Å; A445-P447 WeakPolarHBondContact O-CD 3.39Å |
| 446 | D | 85.9 | Confident | 89.1 | Confident | 52 Ų | 52 | 56.8 Ų | 56.8 | 28% | 0.278 | 33% | 0.333 | S | S | . | . | trans | -80.1 | 112 | -175 | -169.1 | -15.1 | 0 | 0 | 0 | 112.4 | D442 G448 L449 R454 | D442-D446 WeakPolarHBondContact O-CB 3.43Å; D442-D446 PolarHBondContact O-N 3.03Å; D442-D446 VanDerWaalsContact O-N 3.12Å; D446-G448 VanDerWaalsContact C-N 3.31Å; D446-G448 WeakPolarHBondContact OD1-CA 3.4Å; D446-G448 PolarHBondContact OD1-N 3.26Å; D446-L449 HydrophobicContact CB-CD1 3.79Å; D446-L449 HydrophobicContact CB-CG 4.04Å; D446-R454 PolarHBondContact O-NH2 3.01Å | ||
| 447 | P | 78.3 | Confident | 89 | Confident | 125 Ų | 125 | 56.7 Ų | 56.7 | 81% | 0.812 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -14.9 | 178.7 | 34.3 | -35.6 | 0 | 0 | 0 | 113.1 | A445 | A445-P447 VanDerWaalsContact O-CD 3.24Å; A445-P447 WeakPolarHBondContact O-CD 3.39Å |
| 448 | G | 79.1 | Confident | 89 | Confident | 56 Ų | 56 | 55 Ų | 55 | 58% | 0.577 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -9.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D446 | D446-G448 VanDerWaalsContact C-N 3.31Å; D446-G448 WeakPolarHBondContact OD1-CA 3.4Å; D446-G448 PolarHBondContact OD1-N 3.26Å |
| 449 | L | 85.6 | Confident | 89.1 | Confident | 8 Ų | 8 | 53.1 Ų | 53.1 | 4% | 0.042 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -84.2 | 137.9 | -180 | -68.4 | 174.2 | 0 | 0 | 0 | 112.3 | E404 V443 D446 V453 R454 | E404-L449 HydrophobicContact CG-CD2 3.42Å; E404-L449 VanDerWaalsContact CG-CD2 3.42Å; V443-L449 HydrophobicContact CG1-CD1 4.21Å; V443-L449 HydrophobicContact CG2-CD1 4.48Å; D446-L449 HydrophobicContact CB-CD1 3.79Å; D446-L449 HydrophobicContact CB-CG 4.04Å; L449-V453 HydrophobicContact CD2-CG1 4.35Å; L449-R454 PolarHBondContact O-NH2 2.97Å |
| 450 | S | 87.6 | Confident | 89.1 | Confident | 60 Ų | 60 | 53.7 Ų | 53.7 | 42% | 0.42 | 33% | 0.327 | S | S | . | . | trans | -65.7 | 147.7 | 168.3 | 72.8 | 0 | 0 | 0 | 0 | 111.1 | S452 V453 R454 | S450-S452 PolarHBondContact O-N 3.19Å; S450-V453 PolarHBondContact O-N 3.34Å; S450-V453 WeakPolarHBondContact OG-CB 3.43Å; S450-V453 VanDerWaalsContact OG-CG2 3.24Å; S450-V453 WeakPolarHBondContact OG-CG2 3.47Å; S450-V453 PolarHBondContact OG-N 3.24Å; S450-R454 WeakPolarHBondContact O-CB 3.43Å; S450-R454 PolarHBondContact O-N 2.87Å | ||
| 451 | D | 88 | Confident | 89.3 | Confident | 125 Ų | 125 | 53.7 Ų | 53.7 | 67% | 0.668 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -60.3 | -35.1 | -178.4 | -65.7 | -24 | 0 | 0 | 0 | 112.6 | R454 L455 | D451-R454 IonicContact OD1-CZ 3.43Å; D451-R454 IonicContact OD1-NH1 3.03Å; D451-R454 PolarHBondContact OD1-NH1 3.29Å; D451-L455 WeakPolarHBondContact O-CB 3.43Å; D451-L455 PolarHBondContact O-N 3.4Å |
| 452 | S | 90.7 | Very high | 89.4 | Confident | 77 Ų | 77 | 50.2 Ų | 50.2 | 54% | 0.538 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.3 | -48.5 | 176.9 | -176.2 | 0 | 0 | 0 | 0 | 112 | S450 R454 L455 Q456 | S450-S452 PolarHBondContact O-N 3.19Å; S452-R454 VanDerWaalsContact C-N 3.34Å; S452-L455 PolarHBondContact O-N 3.32Å; S452-Q456 WeakPolarHBondContact O-CG 3.49Å; S452-Q456 PolarHBondContact O-N 3.42Å; S452-Q456 VanDerWaalsContact O-N 3.08Å |
| 453 | V | 89.9 | Confident | 89.6 | Confident | 16 Ų | 16 | 48.2 Ų | 48.2 | 10% | 0.097 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.1 | -39.5 | -179.9 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | E404 L449 S450 L455 Q456 L457 | E404-V453 HydrophobicContact CB-CG1 3.63Å; E404-V453 HydrophobicContact CG-CG1 3.84Å; L449-V453 HydrophobicContact CD2-CG1 4.35Å; S450-V453 PolarHBondContact O-N 3.34Å; S450-V453 WeakPolarHBondContact OG-CB 3.43Å; S450-V453 VanDerWaalsContact OG-CG2 3.24Å; S450-V453 WeakPolarHBondContact OG-CG2 3.47Å; S450-V453 PolarHBondContact OG-N 3.24Å; V453-L455 PolarHBondContact O-N 3.15Å; V453-Q456 PolarHBondContact O-N 2.73Å; V453-L457 HydrophobicContact CG1-CD1 4.04Å; V453-L457 HydrophobicContact CG1-CG 4.5Å; V453-L457 WeakPolarHBondContact O-CG 3.26Å; V453-L457 PolarHBondContact O-N 2.94Å |
| 454 | R | 90.9 | Very high | 89.8 | Confident | 28 Ų | 28 | 48.1 Ų | 48.1 | 11% | 0.106 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.4 | -50.1 | 174.3 | -170.1 | -179.1 | -64.5 | 104.3 | 4 | 110.8 | V443 D446 L449 S450 D451 S452 Q456 L457 M458 | V443-R454 HydrophobicContact CG1-CB 4.4Å; V443-R454 HydrophobicContact CG1-CG 3.63Å; V443-R454 PolarHBondContact O-NE 2.95Å; D446-R454 PolarHBondContact O-NH2 3.01Å; L449-R454 PolarHBondContact O-NH2 2.97Å; S450-R454 WeakPolarHBondContact O-CB 3.43Å; S450-R454 PolarHBondContact O-N 2.87Å; D451-R454 IonicContact OD1-CZ 3.43Å; D451-R454 IonicContact OD1-NH1 3.03Å; D451-R454 PolarHBondContact OD1-NH1 3.29Å; S452-R454 VanDerWaalsContact C-N 3.34Å; R454-Q456 PolarHBondContact O-N 3.23Å; R454-L457 PolarHBondContact O-N 3.44Å; R454-M458 HydrophobicContact CG-SD 4.15Å; R454-M458 WeakPolarHBondContact O-CB 3.46Å; R454-M458 VanDerWaalsContact O-CG 3.23Å; R454-M458 WeakPolarHBondContact O-CG 3.38Å; R454-M458 PolarHBondContact O-N 3.23Å |
| 455 | L | 91.4 | Very high | 90.1 | Very high | 99 Ų | 99 | 46.8 Ų | 46.8 | 52% | 0.518 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.9 | -47.5 | 178.6 | -176.2 | 66.4 | 0 | 0 | 0 | 111.6 | D451 S452 V453 L457 M458 E459 | D451-L455 WeakPolarHBondContact O-CB 3.43Å; D451-L455 PolarHBondContact O-N 3.4Å; S452-L455 PolarHBondContact O-N 3.32Å; V453-L455 PolarHBondContact O-N 3.15Å; L455-L457 PolarHBondContact O-N 3.05Å; L455-M458 PolarHBondContact O-N 3.03Å; L455-E459 HydrophobicContact CD1-CG 4.27Å; L455-E459 HydrophobicContact CG-CG 4.37Å; L455-E459 WeakPolarHBondContact O-CB 3.4Å; L455-E459 WeakPolarHBondContact O-CG 3.32Å; L455-E459 PolarHBondContact O-N 3.37Å |
| 456 | Q | 93.5 | Very high | 90.4 | Very high | 94 Ų | 94 | 47.6 Ų | 47.6 | 44% | 0.439 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.2 | -43 | 179.8 | -72.2 | 177.3 | -32.9 | 0 | 0 | 112.8 | L408 S452 V453 R454 G460 | L408-Q456 HydrophobicContact CD2-CB 3.74Å; S452-Q456 WeakPolarHBondContact O-CG 3.49Å; S452-Q456 PolarHBondContact O-N 3.42Å; S452-Q456 VanDerWaalsContact O-N 3.08Å; V453-Q456 PolarHBondContact O-N 2.73Å; R454-Q456 PolarHBondContact O-N 3.23Å; Q456-G460 PolarHBondContact O-N 3.18Å |
| 457 | L | 93.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.6 | -40.8 | 176.8 | -73.9 | 170 | 0 | 0 | 0 | 111.8 | E404 R407 L408 L411 V443 V453 R454 L455 S461 | E404-L457 HydrophobicContact CB-CD1 3.96Å; E404-L457 HydrophobicContact CG-CD1 4.1Å; R407-L457 HydrophobicContact CB-CD2 3.68Å; L408-L457 HydrophobicContact CD2-CD2 3.69Å; L408-L457 HydrophobicContact CD2-CG 3.95Å; L408-L457 HydrophobicContact CG-CD2 3.84Å; L408-L457 HydrophobicContact CG-CG 4.31Å; L411-L457 HydrophobicContact CD1-CD2 4.07Å; V443-L457 HydrophobicContact CG1-CB 4.14Å; V443-L457 HydrophobicContact CG1-CD1 4.31Å; V443-L457 HydrophobicContact CG2-CB 4.22Å; V443-L457 HydrophobicContact CG2-CD1 3.81Å; V453-L457 HydrophobicContact CG1-CD1 4.04Å; V453-L457 HydrophobicContact CG1-CG 4.5Å; V453-L457 WeakPolarHBondContact O-CG 3.26Å; V453-L457 PolarHBondContact O-N 2.94Å; R454-L457 PolarHBondContact O-N 3.44Å; L455-L457 PolarHBondContact O-N 3.05Å; L457-S461 VanDerWaalsContact O-CB 3.26Å; L457-S461 WeakPolarHBondContact O-CB 3.4Å; L457-S461 PolarHBondContact O-N 2.88Å; L457-S461 PolarHBondContact O-OG 3.45Å |
| 458 | M | 92.8 | Very high | 91.5 | Very high | 12 Ų | 12 | 41.1 Ų | 41.1 | 6% | 0.059 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.6 | -42.4 | 178.7 | -72 | -168.1 | 83 | 0 | 0 | 112.2 | L440 V443 R454 L455 S462 Q491 V492 C495 | L440-M458 HydrophobicContact CD2-CB 4.41Å; L440-M458 HydrophobicContact CD2-CE 4.32Å; L440-M458 HydrophobicContact CD2-CG 4.24Å; V443-M458 HydrophobicContact CG1-CG 3.99Å; R454-M458 HydrophobicContact CG-SD 4.15Å; R454-M458 WeakPolarHBondContact O-CB 3.46Å; R454-M458 VanDerWaalsContact O-CG 3.23Å; R454-M458 WeakPolarHBondContact O-CG 3.38Å; R454-M458 PolarHBondContact O-N 3.23Å; L455-M458 PolarHBondContact O-N 3.03Å; M458-S462 WeakPolarHBondContact O-CB 3.31Å; M458-S462 PolarHBondContact O-N 3.26Å; M458-S462 PolarHBondContact O-OG 3.3Å; M458-Q491 HydrophobicContact CE-CB 3.54Å; M458-Q491 WeakPolarHBondContact CE-O 3.16Å; M458-Q491 HydrophobicContact SD-CB 4.08Å; M458-V492 HydrophobicContact CE-CG2 4.43Å; M458-C495 HydrophobicContact CE-CB 4.42Å; M458-C495 WeakPolarHBondContact CE-SG 3.46Å |
| 459 | E | 93 | Very high | 92.2 | Very high | 113 Ų | 113 | 39.1 Ų | 39.1 | 53% | 0.528 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.8 | -46.9 | 173.9 | -73.7 | 179.7 | 171.9 | 0 | 0 | 111.8 | L455 S461 S462 A463 | L455-E459 HydrophobicContact CD1-CG 4.27Å; L455-E459 HydrophobicContact CG-CG 4.37Å; L455-E459 WeakPolarHBondContact O-CB 3.4Å; L455-E459 WeakPolarHBondContact O-CG 3.32Å; L455-E459 PolarHBondContact O-N 3.37Å; E459-S461 VanDerWaalsContact C-N 3.31Å; E459-S461 PolarHBondContact O-N 2.75Å; E459-S462 PolarHBondContact O-N 3.29Å; E459-A463 WeakPolarHBondContact O-CB 3.35Å; E459-A463 PolarHBondContact O-N 2.97Å |
| 460 | G | 93.6 | Very high | 92.4 | Very high | 14 Ų | 14 | 42.5 Ų | 42.5 | 14% | 0.144 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62 | -37.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q415 Q456 S464 | Q415-G460 PolarHBondContact NE2-O 3.17Å; Q456-G460 PolarHBondContact O-N 3.18Å; G460-S464 WeakPolarHBondContact O-CB 3.13Å; G460-S464 PolarHBondContact O-N 3.45Å; G460-S464 PolarHBondContact O-OG 3.01Å |
| 461 | S | 95 | Very high | 92.5 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.007 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.5 | -44.5 | 174.8 | -60.9 | 0 | 0 | 0 | 0 | 111.4 | L439 L457 E459 A463 S464 L465 | L439-S461 WeakPolarHBondContact CD2-OG 3.48Å; L457-S461 VanDerWaalsContact O-CB 3.26Å; L457-S461 WeakPolarHBondContact O-CB 3.4Å; L457-S461 PolarHBondContact O-N 2.88Å; L457-S461 PolarHBondContact O-OG 3.45Å; E459-S461 VanDerWaalsContact C-N 3.31Å; E459-S461 PolarHBondContact O-N 2.75Å; S461-A463 PolarHBondContact O-N 2.86Å; S461-S464 WeakPolarHBondContact O-CB 3.38Å; S461-S464 PolarHBondContact O-N 3.4Å; S461-L465 WeakPolarHBondContact O-CG 3.25Å; S461-L465 PolarHBondContact O-N 3.04Å |
| 462 | S | 92.9 | Very high | 92.5 | Very high | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62 | -43.6 | 176.6 | -57.1 | 0 | 0 | 0 | 0 | 111.7 | M458 E459 S464 L465 R466 C495 | M458-S462 WeakPolarHBondContact O-CB 3.31Å; M458-S462 PolarHBondContact O-N 3.26Å; M458-S462 PolarHBondContact O-OG 3.3Å; E459-S462 PolarHBondContact O-N 3.29Å; S462-S464 VanDerWaalsContact C-N 3.34Å; S462-S464 PolarHBondContact O-N 3.07Å; S462-L465 PolarHBondContact O-N 2.91Å; S462-R466 WeakPolarHBondContact O-CG 3.14Å; S462-R466 PolarHBondContact O-N 3.34Å; S462-C495 VanDerWaalsContact OG-CB 3.31Å; S462-C495 WeakPolarHBondContact OG-CB 3.37Å; S462-C495 PolarHBondContact OG-SG 3.46Å |
| 463 | A | 94.6 | Very high | 92.3 | Very high | 24 Ų | 24 | 39.6 Ų | 39.6 | 20% | 0.198 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.2 | -42.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E459 S461 R466 L467 | E459-A463 WeakPolarHBondContact O-CB 3.35Å; E459-A463 PolarHBondContact O-N 2.97Å; S461-A463 PolarHBondContact O-N 2.86Å; A463-R466 PolarHBondContact O-N 3.28Å; A463-L467 WeakPolarHBondContact O-CG 3.21Å; A463-L467 PolarHBondContact O-N 2.86Å; A463-L467 VanDerWaalsContact O-N 3.07Å |
| 464 | S | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63 | -41.3 | 176.5 | -55.9 | 0 | 0 | 0 | 0 | 112 | Q415 G460 S461 S462 L467 L468 | Q415-S464 WeakPolarHBondContact CG-OG 3.21Å; G460-S464 WeakPolarHBondContact O-CB 3.13Å; G460-S464 PolarHBondContact O-N 3.45Å; G460-S464 PolarHBondContact O-OG 3.01Å; S461-S464 WeakPolarHBondContact O-CB 3.38Å; S461-S464 PolarHBondContact O-N 3.4Å; S462-S464 VanDerWaalsContact C-N 3.34Å; S462-S464 PolarHBondContact O-N 3.07Å; S464-L467 PolarHBondContact O-N 3.18Å; S464-L468 WeakPolarHBondContact O-CB 3.45Å; S464-L468 PolarHBondContact O-N 3.37Å |
| 465 | L | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.5 | -42.2 | 175.5 | -73.1 | 172.6 | 0 | 0 | 0 | 112.4 | L433 L436 L440 S461 S462 L468 D469 V476 L496 V499 | L433-L465 HydrophobicContact CD1-CD2 3.52Å; L436-L465 HydrophobicContact CB-CD2 3.93Å; L436-L465 HydrophobicContact CB-CG 4.27Å; L436-L465 HydrophobicContact CD1-CD2 3.65Å; L436-L465 HydrophobicContact CD1-CG 3.96Å; L436-L465 HydrophobicContact CG-CD2 4.45Å; L440-L465 HydrophobicContact CD1-CD1 4Å; S461-L465 WeakPolarHBondContact O-CG 3.25Å; S461-L465 PolarHBondContact O-N 3.04Å; S462-L465 PolarHBondContact O-N 2.91Å; L465-L468 PolarHBondContact O-N 3.1Å; L465-D469 WeakPolarHBondContact O-CB 3.5Å; L465-D469 PolarHBondContact O-N 2.81Å; L465-V476 HydrophobicContact CD2-CG1 4.44Å; L465-L496 HydrophobicContact CD1-CD2 4.23Å; L465-V499 HydrophobicContact CB-CG1 4.14Å; L465-V499 HydrophobicContact CB-CG2 3.8Å; L465-V499 HydrophobicContact CD1-CG2 4.28Å |
| 466 | R | 93.2 | Very high | 91.8 | Very high | 92 Ų | 92 | 44.9 Ų | 44.9 | 35% | 0.347 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.9 | -44.5 | 175.6 | -67.5 | -176.2 | -148.2 | 122.6 | 9.2 | 111.9 | S462 A463 L468 D469 A470 T498 V499 | S462-R466 WeakPolarHBondContact O-CG 3.14Å; S462-R466 PolarHBondContact O-N 3.34Å; A463-R466 PolarHBondContact O-N 3.28Å; R466-L468 VanDerWaalsContact C-N 3.32Å; R466-L468 PolarHBondContact O-N 3.03Å; R466-D469 PolarHBondContact O-N 3.29Å; R466-A470 PolarHBondContact O-N 2.9Å; R466-T498 PolarHBondContact NE-O 3.37Å; R466-T498 VanDerWaalsContact NE-O 3.08Å; R466-T498 VanDerWaalsContact NH2-CB 3.33Å; R466-T498 PolarHBondContact NH2-OG1 2.9Å; R466-V499 HydrophobicContact CG-CB 4.36Å; R466-V499 HydrophobicContact CG-CG1 4.23Å; R466-V499 HydrophobicContact CG-CG2 4.05Å |
| 467 | L | 93.5 | Very high | 91.6 | Very high | 41 Ų | 41 | 42.5 Ų | 42.5 | 22% | 0.215 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.8 | -40 | 176.8 | -68.2 | 172.3 | 0 | 0 | 0 | 111.7 | Q415 I418 R419 A463 S464 D469 A470 A471 | Q415-L467 HydrophobicContact CB-CD1 3.64Å; Q415-L467 HydrophobicContact CG-CD1 3.79Å; I418-L467 HydrophobicContact CB-CB 4.39Å; I418-L467 HydrophobicContact CD1-CB 4.36Å; I418-L467 HydrophobicContact CG2-CB 3.79Å; R419-L467 HydrophobicContact CG-CD1 4.36Å; R419-L467 HydrophobicContact CG-CD2 4.17Å; A463-L467 WeakPolarHBondContact O-CG 3.21Å; A463-L467 PolarHBondContact O-N 2.86Å; A463-L467 VanDerWaalsContact O-N 3.07Å; S464-L467 PolarHBondContact O-N 3.18Å; L467-D469 VanDerWaalsContact C-N 3.35Å; L467-A470 PolarHBondContact O-N 3.24Å; L467-A471 WeakPolarHBondContact O-CB 3.44Å; L467-A471 PolarHBondContact O-N 2.97Å |
| 468 | L | 93.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.9 | -38.9 | 176.9 | -168.3 | 65.8 | 0 | 0 | 0 | 111.5 | I418 M425 A429 L432 L433 S464 L465 R466 A471 T472 V476 | I418-L468 HydrophobicContact CD1-CB 4.33Å; I418-L468 HydrophobicContact CD1-CD1 4.37Å; M425-L468 HydrophobicContact CB-CD1 4.39Å; A429-L468 HydrophobicContact CB-CD1 4.27Å; A429-L468 HydrophobicContact CB-CD2 4.48Å; A429-L468 HydrophobicContact CB-CG 4.44Å; L432-L468 HydrophobicContact CB-CD2 3.92Å; L432-L468 HydrophobicContact CD1-CD1 3.99Å; L433-L468 HydrophobicContact CB-CD2 4.42Å; S464-L468 WeakPolarHBondContact O-CB 3.45Å; S464-L468 PolarHBondContact O-N 3.37Å; L465-L468 PolarHBondContact O-N 3.1Å; R466-L468 VanDerWaalsContact C-N 3.32Å; R466-L468 PolarHBondContact O-N 3.03Å; L468-A471 PolarHBondContact O-N 2.92Å; L468-T472 HydrophobicContact CD1-CG2 4.35Å; L468-T472 HydrophobicContact CG-CG2 4.41Å; L468-T472 WeakPolarHBondContact O-CB 3.12Å; L468-T472 WeakPolarHBondContact O-CG2 3.34Å; L468-T472 PolarHBondContact O-N 2.8Å; L468-T472 VanDerWaalsContact O-N 3.07Å; L468-T472 PolarHBondContact O-OG1 3.23Å; L468-V476 HydrophobicContact CB-CG2 4.47Å; L468-V476 HydrophobicContact CD2-CG2 4Å; L468-V476 HydrophobicContact CG-CG2 3.94Å |
| 469 | D | 92.8 | Very high | 91.1 | Very high | 15 Ų | 15 | 52.4 Ų | 52.4 | 8% | 0.08 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.1 | -45.4 | 175.9 | -167.9 | 57.2 | 0 | 0 | 0 | 112.1 | L465 R466 L467 A471 T472 Q473 R474 V476 R477 | L465-D469 WeakPolarHBondContact O-CB 3.5Å; L465-D469 PolarHBondContact O-N 2.81Å; R466-D469 PolarHBondContact O-N 3.29Å; L467-D469 VanDerWaalsContact C-N 3.35Å; D469-A471 VanDerWaalsContact C-N 3.34Å; D469-A471 PolarHBondContact O-N 3.47Å; D469-T472 PolarHBondContact O-N 3.06Å; D469-T472 VanDerWaalsContact O-N 3.17Å; D469-T472 PolarHBondContact O-OG1 3.31Å; D469-Q473 PolarHBondContact O-N 3.36Å; D469-R474 PolarHBondContact O-N 2.97Å; D469-R474 VanDerWaalsContact OD1-C 3.24Å; D469-R474 WeakPolarHBondContact OD1-CA 3.26Å; D469-V476 HydrophobicContact CB-CB 4.03Å; D469-V476 WeakPolarHBondContact OD1-CB 3.27Å; D469-V476 PolarHBondContact OD1-N 3.29Å; D469-R477 WeakPolarHBondContact OD1-CB 3.43Å; D469-R477 PolarHBondContact OD1-N 3.06Å |
| 470 | A | 90.3 | Very high | 90.8 | Very high | 78 Ų | 78 | 47.5 Ų | 47.5 | 65% | 0.645 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -59.5 | -44 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R466 L467 T472 | R466-A470 PolarHBondContact O-N 2.9Å; L467-A470 PolarHBondContact O-N 3.24Å; A470-T472 PolarHBondContact O-N 2.85Å |
| 471 | A | 89.9 | Confident | 90.4 | Very high | 15 Ų | 15 | 52.5 Ų | 52.5 | 12% | 0.124 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -70.7 | -14.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | I418 W422 M425 L467 L468 D469 | I418-A471 HydrophobicContact CG2-CB 3.98Å; W422-A471 HydrophobicContact CB-CB 4.11Å; M425-A471 HydrophobicContact CB-CB 4.02Å; M425-A471 HydrophobicContact CG-CB 4.37Å; L467-A471 WeakPolarHBondContact O-CB 3.44Å; L467-A471 PolarHBondContact O-N 2.97Å; L468-A471 PolarHBondContact O-N 2.92Å; D469-A471 VanDerWaalsContact C-N 3.34Å; D469-A471 PolarHBondContact O-N 3.47Å |
| 472 | T | 88.3 | Confident | 90 | Very high | 12 Ų | 12 | 59.5 Ų | 59.5 | 7% | 0.074 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | 17.4 | -174.7 | 60.3 | 0 | 0 | 0 | 0 | 113.4 | A429 L468 D469 A470 R474 R475 | A429-T472 HydrophobicContact CB-CG2 3.53Å; L468-T472 HydrophobicContact CD1-CG2 4.35Å; L468-T472 HydrophobicContact CG-CG2 4.41Å; L468-T472 WeakPolarHBondContact O-CB 3.12Å; L468-T472 WeakPolarHBondContact O-CG2 3.34Å; L468-T472 PolarHBondContact O-N 2.8Å; L468-T472 VanDerWaalsContact O-N 3.07Å; L468-T472 PolarHBondContact O-OG1 3.23Å; D469-T472 PolarHBondContact O-N 3.06Å; D469-T472 VanDerWaalsContact O-N 3.17Å; D469-T472 PolarHBondContact O-OG1 3.31Å; A470-T472 PolarHBondContact O-N 2.85Å; T472-R474 PolarHBondContact O-N 3.41Å; T472-R475 WeakPolarHBondContact O-CB 3.29Å; T472-R475 PolarHBondContact O-N 3.5Å |
| 473 | Q | 86.4 | Confident | 89.5 | Confident | 175 Ų | 175 | 62 Ų | 62 | 82% | 0.818 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 49.1 | 179.4 | -57.8 | 177 | -19.7 | 0 | 0 | 112.4 | D469 R475 | D469-Q473 PolarHBondContact O-N 3.36Å; Q473-R475 PolarHBondContact O-N 3.44Å |
| 474 | R | 86.7 | Confident | 88.7 | Confident | 156 Ų | 156 | 66.2 Ų | 66.2 | 59% | 0.589 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.5 | 19.9 | 176.5 | -55.4 | -177.7 | 178.3 | 179.5 | -1.4 | 115 | D469 T472 R478 | D469-R474 PolarHBondContact O-N 2.97Å; D469-R474 VanDerWaalsContact OD1-C 3.24Å; D469-R474 WeakPolarHBondContact OD1-CA 3.26Å; T472-R474 PolarHBondContact O-N 3.41Å; R474-R478 WeakPolarHBondContact O-CG 3.41Å; R474-R478 PolarHBondContact O-N 2.89Å; R474-R478 PolarHBondContact O-NE 3.31Å |
| 475 | R | 88.3 | Confident | 87.9 | Confident | 95 Ų | 95 | 69.9 Ų | 69.9 | 36% | 0.358 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -69.1 | -40.7 | 176.2 | -178.1 | 179.5 | 170.5 | -151.4 | -8 | 111.4 | D430 T472 Q473 R478 L479 | D430-R475 IonicContact OD1-CZ 3.39Å; D430-R475 IonicContact OD1-NH1 3.72Å; D430-R475 IonicContact OD1-NH2 3.78Å; D430-R475 PolarHBondContact OD1-NH2 3.45Å; D430-R475 IonicContact OD2-CZ 3.5Å; D430-R475 IonicContact OD2-NH1 3.4Å; D430-R475 PolarHBondContact OD2-NH1 3.46Å; D430-R475 IonicContact OD2-NH2 2.68Å; D430-R475 PolarHBondContact OD2-NH2 3.1Å; T472-R475 WeakPolarHBondContact O-CB 3.29Å; T472-R475 PolarHBondContact O-N 3.5Å; Q473-R475 PolarHBondContact O-N 3.44Å; R475-R478 PolarHBondContact O-N 3.01Å; R475-L479 HydrophobicContact CG-CD1 4.48Å; R475-L479 PolarHBondContact O-N 3.37Å |
| 476 | V | 87.3 | Confident | 86.9 | Confident | 2 Ų | 2 | 80.8 Ų | 80.8 | 1% | 0.012 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.7 | -47.3 | -178.5 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | L433 L465 L468 D469 R478 L479 L480 | L433-V476 HydrophobicContact CD1-CG1 3.76Å; L433-V476 HydrophobicContact CD2-CG1 4.3Å; L465-V476 HydrophobicContact CD2-CG1 4.44Å; L468-V476 HydrophobicContact CB-CG2 4.47Å; L468-V476 HydrophobicContact CD2-CG2 4Å; L468-V476 HydrophobicContact CG-CG2 3.94Å; D469-V476 HydrophobicContact CB-CB 4.03Å; D469-V476 WeakPolarHBondContact OD1-CB 3.27Å; D469-V476 PolarHBondContact OD1-N 3.29Å; V476-R478 VanDerWaalsContact C-N 3.3Å; V476-R478 PolarHBondContact O-N 3.25Å; V476-L479 WeakPolarHBondContact O-CB 3.4Å; V476-L479 PolarHBondContact O-N 3.45Å; V476-L480 HydrophobicContact CG1-CD1 3.89Å; V476-L480 HydrophobicContact CG1-CG 4.1Å; V476-L480 WeakPolarHBondContact O-CG 3.41Å; V476-L480 PolarHBondContact O-N 2.81Å |
| 477 | R | 88.2 | Confident | 85.9 | Confident | 45 Ų | 45 | 84 Ų | 84 | 17% | 0.17 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -56.2 | -42.4 | 177.5 | -179.1 | 170.8 | -179 | -155.7 | -5.7 | 112.2 | D469 L479 L480 L481 T500 | D469-R477 WeakPolarHBondContact OD1-CB 3.43Å; D469-R477 PolarHBondContact OD1-N 3.06Å; R477-L479 VanDerWaalsContact C-N 3.31Å; R477-L479 PolarHBondContact O-N 3.44Å; R477-L480 PolarHBondContact O-N 3.16Å; R477-L481 WeakPolarHBondContact O-CG 3.42Å; R477-L481 PolarHBondContact O-N 3.45Å; R477-L481 VanDerWaalsContact O-N 3.08Å; R477-T500 HydrophobicContact CG-CG2 4.41Å; R477-T500 PolarHBondContact NE-O 3.2Å; R477-T500 PolarHBondContact NH2-O 2.65Å |
| 478 | R | 87.6 | Confident | 85.2 | Confident | 158 Ų | 158 | 83.8 Ų | 83.8 | 60% | 0.596 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -61.2 | -37.6 | 175.5 | -75.1 | -175.6 | -73.2 | 166.1 | -4.9 | 112.9 | R474 R475 V476 | R474-R478 WeakPolarHBondContact O-CG 3.41Å; R474-R478 PolarHBondContact O-N 2.89Å; R474-R478 PolarHBondContact O-NE 3.31Å; R475-R478 PolarHBondContact O-N 3.01Å; V476-R478 VanDerWaalsContact C-N 3.3Å; V476-R478 PolarHBondContact O-N 3.25Å |
| 479 | L | 87.9 | Confident | 84.7 | Confident | 61 Ų | 61 | 85.6 Ų | 85.6 | 32% | 0.319 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -73.2 | -39.1 | 176.4 | -65.4 | 171.8 | 0 | 0 | 0 | 111.7 | L433 R475 V476 R477 L481 Q482 | L433-L479 HydrophobicContact CD2-CB 4.3Å; L433-L479 HydrophobicContact CD2-CD1 3.87Å; R475-L479 HydrophobicContact CG-CD1 4.48Å; R475-L479 PolarHBondContact O-N 3.37Å; V476-L479 WeakPolarHBondContact O-CB 3.4Å; V476-L479 PolarHBondContact O-N 3.45Å; R477-L479 VanDerWaalsContact C-N 3.31Å; R477-L479 PolarHBondContact O-N 3.44Å; L479-L481 VanDerWaalsContact C-N 3.3Å; L479-L481 PolarHBondContact O-N 3.31Å; L479-Q482 WeakPolarHBondContact O-CB 3.3Å; L479-Q482 PolarHBondContact O-N 3.34Å; L479-Q482 VanDerWaalsContact O-N 3.1Å |
| 480 | L | 87.1 | Confident | 84.3 | Confident | 11 Ų | 11 | 90 Ų | 90 | 6% | 0.058 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -65.2 | -32 | 178.7 | -68.2 | -179.1 | 0 | 0 | 0 | 112.8 | L433 L437 V476 R477 Q482 V483 L496 V499 T500 | L433-L480 HydrophobicContact CD1-CD2 4.02Å; L437-L480 HydrophobicContact CD1-CD2 4.29Å; L437-L480 HydrophobicContact CD2-CD2 3.91Å; V476-L480 HydrophobicContact CG1-CD1 3.89Å; V476-L480 HydrophobicContact CG1-CG 4.1Å; V476-L480 WeakPolarHBondContact O-CG 3.41Å; V476-L480 PolarHBondContact O-N 2.81Å; R477-L480 PolarHBondContact O-N 3.16Å; L480-Q482 PolarHBondContact O-N 3.4Å; L480-V483 WeakPolarHBondContact O-CB 3.33Å; L480-V483 WeakPolarHBondContact O-CG2 3.49Å; L480-V483 PolarHBondContact O-N 3.12Å; L480-L496 HydrophobicContact CD1-CD2 4.27Å; L480-L496 HydrophobicContact CD2-CD2 3.89Å; L480-V499 HydrophobicContact CD1-CB 4.12Å; L480-V499 HydrophobicContact CD1-CG1 3.78Å; L480-T500 HydrophobicContact CB-CG2 3.93Å |
| 481 | L | 85.7 | Confident | 83.9 | Confident | 118 Ų | 118 | 90.5 Ų | 90.5 | 62% | 0.618 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -16.4 | 174.1 | -72.2 | 170.9 | 0 | 0 | 0 | 113.7 | R477 L479 V483 T500 | R477-L481 WeakPolarHBondContact O-CG 3.42Å; R477-L481 PolarHBondContact O-N 3.45Å; R477-L481 VanDerWaalsContact O-N 3.08Å; L479-L481 VanDerWaalsContact C-N 3.3Å; L479-L481 PolarHBondContact O-N 3.31Å; L481-V483 VanDerWaalsContact C-N 3.35Å; L481-T500 HydrophobicContact CD2-CG2 4.13Å; L481-T500 HydrophobicContact CG-CG2 4.33Å |
| 482 | Q | 85.7 | Confident | 83.7 | Confident | 148 Ų | 148 | 89.9 Ų | 89.9 | 69% | 0.692 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -1.5 | 177.5 | -60.4 | 176.6 | -7.6 | 0 | 0 | 112.8 | L479 L480 D484 | L479-Q482 WeakPolarHBondContact O-CB 3.3Å; L479-Q482 PolarHBondContact O-N 3.34Å; L479-Q482 VanDerWaalsContact O-N 3.1Å; L480-Q482 PolarHBondContact O-N 3.4Å; Q482-D484 PolarHBondContact O-N 3.32Å |
| 483 | V | 82.2 | Confident | 83.6 | Confident | 56 Ų | 56 | 92 Ų | 92 | 34% | 0.339 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -73.9 | 123.7 | -178.1 | 177.1 | 0 | 0 | 0 | 0 | 110.1 | L480 L481 S485 L496 | L480-V483 WeakPolarHBondContact O-CB 3.33Å; L480-V483 WeakPolarHBondContact O-CG2 3.49Å; L480-V483 PolarHBondContact O-N 3.12Å; L481-V483 VanDerWaalsContact C-N 3.35Å; V483-S485 PolarHBondContact O-N 3.24Å; V483-L496 HydrophobicContact CG1-CD1 4.32Å |
| 484 | D | 79.3 | Confident | 83.5 | Confident | 112 Ų | 112 | 87.7 Ų | 87.7 | 60% | 0.599 | 43% | 0.428 | S | S | * | . | trans | -68.2 | 114.2 | 176 | -77.8 | -35.9 | 0 | 0 | 0 | 111.4 | Q482 R486 H487 | Q482-D484 PolarHBondContact O-N 3.32Å; D484-R486 PolarHBondContact O-N 3.37Å; D484-H487 PolarHBondContact O-N 3.16Å | ||
| 485 | S | 77.1 | Confident | 83.4 | Confident | 78 Ų | 78 | 80.9 Ų | 80.9 | 55% | 0.545 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -63.2 | -15.9 | -178.1 | 57.4 | 0 | 0 | 0 | 0 | 114.7 | V483 H487 | V483-S485 PolarHBondContact O-N 3.24Å; S485-H487 VanDerWaalsContact C-N 3.29Å; S485-H487 PolarHBondContact O-N 3.27Å |
| 486 | R | 74.4 | Confident | 83.3 | Confident | 229 Ų | 229 | 77 Ų | 77 | 86% | 0.864 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -71.9 | -20 | -179 | -62 | -178.8 | -178 | -180 | 0.8 | 113.9 | D484 | D484-R486 PolarHBondContact O-N 3.37Š|
| 487 | H | 71.8 | Confident | 83.2 | Confident | 160 Ų | 160 | 79.2 Ų | 79.2 | 74% | 0.741 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -108.1 | 5.5 | -174.5 | -58.1 | 130.6 | 0 | 0 | 0 | 113.5 | D484 S485 | D484-H487 PolarHBondContact O-N 3.16Å; S485-H487 VanDerWaalsContact C-N 3.29Å; S485-H487 PolarHBondContact O-N 3.27Å |
| 488 | C | 78.7 | Confident | 83 | Confident | 35 Ų | 35 | 79.9 Ų | 79.9 | 24% | 0.236 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -114 | 144.4 | -175.8 | -63.2 | 0 | 0 | 0 | 0 | 111.8 | V492 L493 | C488-V492 HydrophobicContact CB-CG1 4.43Å; C488-L493 HydrophobicContact CB-CD1 4.32Å; C488-L493 HydrophobicContact CB-CD2 3.66Å; C488-L493 HydrophobicContact CB-CG 3.69Å |
| 489 | S | 83.8 | Confident | 82.7 | Confident | 38 Ų | 38 | 72.8 Ų | 72.8 | 27% | 0.266 | 39% | 0.393 | S | S | . | . | trans | -66.1 | 151.7 | 170.8 | 67.5 | 0 | 0 | 0 | 0 | 110.3 | S444 Q491 V492 L493 | S444-S489 WeakPolarHBondContact CB-OG 3.35Å; S444-S489 PolarHBondContact OG-OG 3.03Å; S444-S489 VanDerWaalsContact OG-OG 3.1Å; S489-Q491 PolarHBondContact O-N 3.2Å; S489-V492 PolarHBondContact O-N 3.4Å; S489-V492 VanDerWaalsContact O-N 3.1Å; S489-V492 WeakPolarHBondContact OG-CG2 3.45Å; S489-V492 PolarHBondContact OG-N 3.35Å; S489-L493 PolarHBondContact O-N 2.72Å | ||
| 490 | P | 83.3 | Confident | 82.4 | Confident | 108 Ų | 108 | 71.3 Ų | 71.3 | 70% | 0.701 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -60.5 | -31.8 | -177.9 | 23.7 | -34.2 | 0 | 0 | 0 | 112.4 | C494 | P490-C494 WeakPolarHBondContact O-CB 3.48Å; P490-C494 PolarHBondContact O-N 2.94Å |
| 491 | Q | 83.3 | Confident | 81.8 | Confident | 88 Ų | 88 | 73.6 Ų | 73.6 | 41% | 0.411 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.7 | -44.2 | 176.2 | -63.7 | 177.2 | -14.1 | 0 | 0 | 111.5 | M458 S489 C494 C495 | M458-Q491 HydrophobicContact CE-CB 3.54Å; M458-Q491 WeakPolarHBondContact CE-O 3.16Å; M458-Q491 HydrophobicContact SD-CB 4.08Å; S489-Q491 PolarHBondContact O-N 3.2Å; Q491-C494 WeakPolarHBondContact O-CB 3.46Å; Q491-C494 PolarHBondContact O-N 3.21Å; Q491-C495 PolarHBondContact O-N 3.24Å |
| 492 | V | 85.4 | Confident | 80.4 | Confident | 3 Ų | 3 | 74.8 Ų | 74.8 | 2% | 0.018 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -64 | -43.6 | 176.5 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | L440 M458 C488 S489 C494 C495 L496 | L440-V492 HydrophobicContact CB-CG1 4.43Å; L440-V492 HydrophobicContact CB-CG2 4.2Å; L440-V492 WeakPolarHBondContact O-CG2 3.34Å; M458-V492 HydrophobicContact CE-CG2 4.43Å; C488-V492 HydrophobicContact CB-CG1 4.43Å; S489-V492 PolarHBondContact O-N 3.4Å; S489-V492 VanDerWaalsContact O-N 3.1Å; S489-V492 WeakPolarHBondContact OG-CG2 3.45Å; S489-V492 PolarHBondContact OG-N 3.35Å; V492-C494 VanDerWaalsContact C-N 3.3Å; V492-C494 PolarHBondContact O-N 2.99Å; V492-C495 WeakPolarHBondContact O-CB 3.48Å; V492-C495 PolarHBondContact O-N 3.3Å; V492-C495 VanDerWaalsContact O-N 3.16Å; V492-L496 HydrophobicContact CG1-CD1 4.21Å; V492-L496 HydrophobicContact CG1-CG 4.32Å; V492-L496 WeakPolarHBondContact O-CG 3.23Å; V492-L496 PolarHBondContact O-N 3.01Å |
| 493 | L | 84.9 | Confident | 78.7 | Confident | 57 Ų | 57 | 73.5 Ų | 73.5 | 30% | 0.298 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.2 | -40.5 | 175.6 | -69.4 | 175.8 | 0 | 0 | 0 | 112.2 | C488 S489 L496 A497 | C488-L493 HydrophobicContact CB-CD1 4.32Å; C488-L493 HydrophobicContact CB-CD2 3.66Å; C488-L493 HydrophobicContact CB-CG 3.69Å; S489-L493 PolarHBondContact O-N 2.72Å; L493-L496 PolarHBondContact O-N 3.19Å; L493-A497 VanDerWaalsContact O-CB 3.31Å; L493-A497 WeakPolarHBondContact O-CB 3.19Å; L493-A497 PolarHBondContact O-N 3.42Å |
| 494 | C | 85 | Confident | 76.4 | Confident | 83 Ų | 83 | 79 Ų | 79 | 56% | 0.561 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -60 | -45.9 | 174.4 | -169.8 | 0 | 0 | 0 | 0 | 111.3 | P490 Q491 V492 A497 T498 | P490-C494 WeakPolarHBondContact O-CB 3.48Å; P490-C494 PolarHBondContact O-N 2.94Å; Q491-C494 WeakPolarHBondContact O-CB 3.46Å; Q491-C494 PolarHBondContact O-N 3.21Å; V492-C494 VanDerWaalsContact C-N 3.3Å; V492-C494 PolarHBondContact O-N 2.99Å; C494-A497 WeakPolarHBondContact O-CB 3.21Å; C494-A497 PolarHBondContact O-N 3.5Å; C494-T498 WeakPolarHBondContact O-CG2 3.47Å; C494-T498 PolarHBondContact O-N 3.23Å |
| 495 | C | 84.8 | Confident | 74.3 | Confident | 14 Ų | 14 | 80.8 Ų | 80.8 | 10% | 0.095 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -59.7 | -48.2 | 175.6 | -76.1 | 0 | 0 | 0 | 0 | 112.6 | L440 M458 S462 Q491 V492 A497 T498 | L440-C495 HydrophobicContact CD2-CB 4.21Å; M458-C495 HydrophobicContact CE-CB 4.42Å; M458-C495 WeakPolarHBondContact CE-SG 3.46Å; S462-C495 VanDerWaalsContact OG-CB 3.31Å; S462-C495 WeakPolarHBondContact OG-CB 3.37Å; S462-C495 PolarHBondContact OG-SG 3.46Å; Q491-C495 PolarHBondContact O-N 3.24Å; V492-C495 WeakPolarHBondContact O-CB 3.48Å; V492-C495 PolarHBondContact O-N 3.3Å; V492-C495 VanDerWaalsContact O-N 3.16Å; C495-A497 VanDerWaalsContact C-N 3.31Å; C495-A497 PolarHBondContact O-N 3.15Å; C495-T498 PolarHBondContact O-N 2.87Å; C495-T498 VanDerWaalsContact O-N 3.14Å; C495-T498 PolarHBondContact O-OG1 2.95Å |
| 496 | L | 86.6 | Confident | 72 | Confident | 12 Ų | 12 | 87 Ų | 87 | 6% | 0.063 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 178.7 | -64.3 | -176.4 | 0 | 0 | 0 | 111.7 | L437 L440 L465 L480 V483 V492 L493 T498 V499 T500 | L437-L496 HydrophobicContact CD2-CD2 3.74Å; L440-L496 HydrophobicContact CD1-CD2 4.31Å; L465-L496 HydrophobicContact CD1-CD2 4.23Å; L480-L496 HydrophobicContact CD1-CD2 4.27Å; L480-L496 HydrophobicContact CD2-CD2 3.89Å; V483-L496 HydrophobicContact CG1-CD1 4.32Å; V492-L496 HydrophobicContact CG1-CD1 4.21Å; V492-L496 HydrophobicContact CG1-CG 4.32Å; V492-L496 WeakPolarHBondContact O-CG 3.23Å; V492-L496 PolarHBondContact O-N 3.01Å; L493-L496 PolarHBondContact O-N 3.19Å; L496-T498 PolarHBondContact O-N 2.64Å; L496-V499 WeakPolarHBondContact O-CB 3.38Å; L496-V499 PolarHBondContact O-N 3.09Å; L496-T500 PolarHBondContact O-N 2.91Å; L496-T500 PolarHBondContact O-OG1 2.88Å |
| 497 | A | 84.6 | Confident | 71.9 | Confident | 50 Ų | 50 | 79.9 Ų | 79.9 | 41% | 0.413 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -57.4 | -37.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L493 C494 C495 V499 T500 A501 | L493-A497 VanDerWaalsContact O-CB 3.31Å; L493-A497 WeakPolarHBondContact O-CB 3.19Å; L493-A497 PolarHBondContact O-N 3.42Å; C494-A497 WeakPolarHBondContact O-CB 3.21Å; C494-A497 PolarHBondContact O-N 3.5Å; C495-A497 VanDerWaalsContact C-N 3.31Å; C495-A497 PolarHBondContact O-N 3.15Å; A497-V499 PolarHBondContact O-N 3.05Å; A497-T500 WeakPolarHBondContact CA-OG1 3.47Å; A497-T500 PolarHBondContact O-N 2.95Å; A497-T500 PolarHBondContact O-OG1 3.31Å; A497-A501 VanDerWaalsContact O-CB 3.27Å; A497-A501 WeakPolarHBondContact O-CB 3.42Å; A497-A501 PolarHBondContact O-N 2.79Å |
| 498 | T | 84.8 | Confident | 71.9 | Confident | 59 Ų | 59 | 75.7 Ų | 75.7 | 36% | 0.362 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.7 | -16.4 | 176.2 | 76.4 | 0 | 0 | 0 | 0 | 114.6 | R466 C494 C495 L496 | R466-T498 PolarHBondContact NE-O 3.37Å; R466-T498 VanDerWaalsContact NE-O 3.08Å; R466-T498 VanDerWaalsContact NH2-CB 3.33Å; R466-T498 PolarHBondContact NH2-OG1 2.9Å; C494-T498 WeakPolarHBondContact O-CG2 3.47Å; C494-T498 PolarHBondContact O-N 3.23Å; C495-T498 PolarHBondContact O-N 2.87Å; C495-T498 VanDerWaalsContact O-N 3.14Å; C495-T498 PolarHBondContact O-OG1 2.95Å; L496-T498 PolarHBondContact O-N 2.64Å |
| 499 | V | 80.9 | Confident | 71.5 | Confident | 8 Ų | 8 | 77.9 Ų | 77.9 | 5% | 0.048 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -94.5 | -34.1 | 176.5 | -174.2 | 0 | 0 | 0 | 0 | 110.3 | L465 R466 L480 L496 A497 | L465-V499 HydrophobicContact CB-CG1 4.14Å; L465-V499 HydrophobicContact CB-CG2 3.8Å; L465-V499 HydrophobicContact CD1-CG2 4.28Å; R466-V499 HydrophobicContact CG-CB 4.36Å; R466-V499 HydrophobicContact CG-CG1 4.23Å; R466-V499 HydrophobicContact CG-CG2 4.05Å; L480-V499 HydrophobicContact CD1-CB 4.12Å; L480-V499 HydrophobicContact CD1-CG1 3.78Å; L496-V499 WeakPolarHBondContact O-CB 3.38Å; L496-V499 PolarHBondContact O-N 3.09Å; A497-V499 PolarHBondContact O-N 3.05Å |
| 500 | T | 80.6 | Confident | 70.8 | Confident | 30 Ų | 30 | 80.3 Ų | 80.3 | 18% | 0.184 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -87.8 | -17 | -178.8 | 56.7 | 0 | 0 | 0 | 0 | 114.1 | R477 L480 L481 L496 A497 | R477-T500 HydrophobicContact CG-CG2 4.41Å; R477-T500 PolarHBondContact NE-O 3.2Å; R477-T500 PolarHBondContact NH2-O 2.65Å; L480-T500 HydrophobicContact CB-CG2 3.93Å; L481-T500 HydrophobicContact CD2-CG2 4.13Å; L481-T500 HydrophobicContact CG-CG2 4.33Å; L496-T500 PolarHBondContact O-N 2.91Å; L496-T500 PolarHBondContact O-OG1 2.88Å; A497-T500 WeakPolarHBondContact CA-OG1 3.47Å; A497-T500 PolarHBondContact O-N 2.95Å; A497-T500 PolarHBondContact O-OG1 3.31Å |
| 501 | A | 74.4 | Confident | 70 | Confident | 60 Ų | 60 | 78.6 Ų | 78.6 | 50% | 0.496 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -60.6 | 137.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | A497 Q503 | A497-A501 VanDerWaalsContact O-CB 3.27Å; A497-A501 WeakPolarHBondContact O-CB 3.42Å; A497-A501 PolarHBondContact O-N 2.79Å; A501-Q503 PolarHBondContact O-N 3.4Å; A501-Q503 VanDerWaalsContact O-N 3.09Å |
| 502 | E | 56.1 | Low | 69.1 | Low | 143 Ų | 143 | 77.9 Ų | 77.9 | 67% | 0.668 | 44% | 0.436 | S | S | * | . | trans | -65.1 | 111.8 | 176.6 | -71.6 | -177.2 | 154.6 | 0 | 0 | 109.6 | E504 | E502-E504 PolarHBondContact O-N 2.89Å; E502-E504 VanDerWaalsContact O-N 3.09Å | ||
| 503 | Q | 51.5 | Low | 67.9 | Low | 120 Ų | 120 | 83.3 Ų | 83.3 | 56% | 0.561 | 47% | 0.466 | S | S | * | . | trans | -73.8 | 90.7 | 152.7 | -73.3 | -171.5 | -40.5 | 0 | 0 | 106.5 | A501 H505 | A501-Q503 PolarHBondContact O-N 3.4Å; A501-Q503 VanDerWaalsContact O-N 3.09Å; Q503-H505 VanDerWaalsContact C-N 3.27Å; Q503-H505 PolarHBondContact O-N 3.35Å; Q503-H505 PolarHBondContact OE1-NE2 2.82Å | ||
| 504 | E | 33.1 | Very low | 66.6 | Low | 171 Ų | 171 | 85.3 Ų | 85.3 | 80% | 0.799 | 48% | 0.479 | S | S | * | . | trans | -58.1 | 96.4 | 156.9 | -69 | -175.9 | 157.7 | 0 | 0 | 106.9 | E502 | E502-E504 PolarHBondContact O-N 2.89Å; E502-E504 VanDerWaalsContact O-N 3.09Å | ||
| 505 | H | 35.8 | Very low | 65.1 | Low | 151 Ų | 151 | 85.5 Ų | 85.5 | 70% | 0.699 | 47% | 0.472 | S | S | * | . | trans | -87.8 | 109.9 | 171.3 | -82.7 | -59.7 | 0 | 0 | 0 | 108.8 | Q503 | Q503-H505 VanDerWaalsContact C-N 3.27Å; Q503-H505 PolarHBondContact O-N 3.35Å; Q503-H505 PolarHBondContact OE1-NE2 2.82Å | ||
| 506 | T | 28 | Very low | 63.3 | Low | 208 Ų | 208 | 92 Ų | 92 | 100% | 1.276 | 51% | 0.506 | S | S | * | . | trans | -58 | 0 | 145.4 | 44.9 | 0 | 0 | 0 | 0 | 111.4 |
Retrieved 506 of 506 residues in 862.5 ms
(Link to these results)