| 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 | 41 | Very low | 53.3 | Low | 242 Ų | 242 | 136.2 Ų | 136.2 | 100% | 1.192 | 78% | 0.781 | S | S | * | * | 0 | 120.3 | 0 | -62.7 | -154.7 | -127.1 | 0 | 0 | 105.9 | |||||
| 2 | A | 43.2 | Very low | 54.5 | Low | 107 Ų | 107 | 133.2 Ų | 133.2 | 88% | 0.884 | 76% | 0.76 | S | S | * | * | trans | -88.8 | 107.7 | -179 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 3 | E | 46.9 | Very low | 55.8 | Low | 191 Ų | 191 | 131 Ų | 131 | 89% | 0.893 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 126.4 | 171.2 | -77.1 | 179.5 | 161.6 | 0 | 0 | 108.9 | ||
| 4 | E | 51.8 | Low | 57.4 | Low | 181 Ų | 181 | 124.8 Ų | 124.8 | 85% | 0.846 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -61 | 145.5 | 178.9 | -69.8 | 174.2 | 143.2 | 0 | 0 | 111.7 | N6 | E4-N6 PolarHBondContact O-N 3.33Š|
| 5 | P | 54.8 | Low | 58.7 | Low | 128 Ų | 128 | 124.5 Ų | 124.5 | 83% | 0.831 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 129.8 | 179.7 | 29.8 | -31 | 0 | 0 | 0 | 110.9 | A7 | P5-A7 PolarHBondContact O-N 3.34Š|
| 6 | N | 53.6 | Low | 59.6 | Low | 132 Ų | 132 | 121.5 Ų | 121.5 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | trans | -29.6 | 115.7 | 177.1 | -75.7 | -36.2 | 0 | 0 | 0 | 115.2 | E4 V8 | E4-N6 PolarHBondContact O-N 3.33Å; N6-V8 PolarHBondContact O-N 3.11Å | ||
| 7 | A | 56 | Low | 60.8 | Low | 99 Ų | 99 | 119.8 Ų | 119.8 | 82% | 0.818 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 121.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | P5 N9 | P5-A7 PolarHBondContact O-N 3.34Å; A7-N9 PolarHBondContact O-N 3.45Å |
| 8 | V | 55.6 | Low | 61.9 | Low | 106 Ų | 106 | 115.7 Ų | 115.7 | 64% | 0.642 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 124.4 | 171.6 | 176.9 | 0 | 0 | 0 | 0 | 108.8 | N6 P10 L13 | N6-V8 PolarHBondContact O-N 3.11Å; V8-P10 WeakPolarHBondContact O-CD 3.38Å; V8-L13 HydrophobicContact CG1-CD1 4.24Å |
| 9 | N | 56.9 | Low | 62.8 | Low | 90 Ų | 90 | 114.1 Ų | 114.1 | 48% | 0.481 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -61.3 | 122.2 | -178.5 | -165.8 | -9.8 | 0 | 0 | 0 | 109.2 | A7 L11 D12 L13 | A7-N9 PolarHBondContact O-N 3.45Å; N9-L11 PolarHBondContact O-N 3.27Å; N9-D12 PolarHBondContact O-N 3.23Å; N9-L13 PolarHBondContact O-N 3.39Å |
| 10 | P | 60.7 | Low | 63.7 | Low | 106 Ų | 106 | 112.5 Ų | 112.5 | 69% | 0.688 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -54.7 | -26.2 | -178.6 | -26.7 | 33.5 | 0 | 0 | 0 | 113.9 | V8 G14 | V8-P10 WeakPolarHBondContact O-CD 3.38Å; P10-G14 PolarHBondContact O-N 3.48Å; P10-G14 VanDerWaalsContact O-N 3.11Å |
| 11 | L | 66.3 | Low | 64.6 | Low | 116 Ų | 116 | 116.1 Ų | 116.1 | 61% | 0.607 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -64.8 | -41.4 | 174.5 | -108.3 | 97.8 | 0 | 0 | 0 | 113 | N9 G14 H15 | N9-L11 PolarHBondContact O-N 3.27Å; L11-G14 PolarHBondContact O-N 3Å; L11-H15 PolarHBondContact O-CD2 3.21Å; L11-H15 PolarHBondContact O-N 3Å |
| 12 | D | 67.7 | Low | 66.6 | Low | 100 Ų | 100 | 109.9 Ų | 109.9 | 54% | 0.535 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -69.5 | -38.1 | -178 | -71.1 | -30.9 | 0 | 0 | 0 | 111.1 | N9 G14 H15 L16 | N9-D12 PolarHBondContact O-N 3.23Å; D12-G14 VanDerWaalsContact C-N 3.32Å; D12-G14 PolarHBondContact O-N 3.18Å; D12-H15 PolarHBondContact O-N 2.95Å; D12-L16 PolarHBondContact O-N 3.35Å |
| 13 | L | 71.5 | Confident | 68.5 | Low | 105 Ų | 105 | 108.2 Ų | 108.2 | 55% | 0.55 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.3 | -40.5 | 172.7 | -149.4 | 89.5 | 0 | 0 | 0 | 111.1 | V8 N9 L16 V17 | V8-L13 HydrophobicContact CG1-CD1 4.24Å; N9-L13 PolarHBondContact O-N 3.39Å; L13-L16 PolarHBondContact O-N 3.47Å; L13-V17 WeakPolarHBondContact O-CB 3.45Å; L13-V17 VanDerWaalsContact O-CG2 3.23Å; L13-V17 WeakPolarHBondContact O-CG2 3.31Å; L13-V17 PolarHBondContact O-N 2.94Å |
| 14 | G | 77.3 | Confident | 70.2 | Confident | 44 Ų | 44 | 101.9 Ų | 101.9 | 45% | 0.454 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.5 | -42.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | P10 L11 D12 A18 | P10-G14 PolarHBondContact O-N 3.48Å; P10-G14 VanDerWaalsContact O-N 3.11Å; L11-G14 PolarHBondContact O-N 3Å; D12-G14 VanDerWaalsContact C-N 3.32Å; D12-G14 PolarHBondContact O-N 3.18Å; G14-A18 WeakPolarHBondContact O-CB 3.23Å; G14-A18 PolarHBondContact O-N 3.39Å |
| 15 | H | 77.5 | Confident | 71.9 | Confident | 120 Ų | 120 | 96 Ų | 96 | 56% | 0.556 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.5 | -44.5 | 175.4 | -78.2 | -62.8 | 0 | 0 | 0 | 112.4 | L11 D12 V17 A18 E19 | L11-H15 PolarHBondContact O-CD2 3.21Å; L11-H15 PolarHBondContact O-N 3Å; D12-H15 PolarHBondContact O-N 2.95Å; H15-V17 PolarHBondContact O-N 2.96Å; H15-A18 WeakPolarHBondContact O-CB 3.34Å; H15-A18 PolarHBondContact O-N 3.35Å; H15-E19 PolarHBondContact O-N 3.47Å |
| 16 | L | 72.3 | Confident | 73.3 | Confident | 77 Ų | 77 | 91.2 Ų | 91.2 | 40% | 0.403 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.3 | -40 | 178.4 | -172.7 | 67.9 | 0 | 0 | 0 | 112.1 | D12 L13 A18 E19 T20 | D12-L16 PolarHBondContact O-N 3.35Å; L13-L16 PolarHBondContact O-N 3.47Å; L16-A18 VanDerWaalsContact C-N 3.33Å; L16-E19 PolarHBondContact O-N 3.01Å; L16-T20 WeakPolarHBondContact O-CB 3.45Å; L16-T20 PolarHBondContact O-N 3.34Å; L16-T20 PolarHBondContact O-OG1 3.16Å |
| 17 | V | 80.1 | Confident | 74.6 | Confident | 92 Ų | 92 | 89.8 Ų | 89.8 | 56% | 0.558 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.8 | -41.7 | 174.3 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | L13 H15 R21 | L13-V17 WeakPolarHBondContact O-CB 3.45Å; L13-V17 VanDerWaalsContact O-CG2 3.23Å; L13-V17 WeakPolarHBondContact O-CG2 3.31Å; L13-V17 PolarHBondContact O-N 2.94Å; H15-V17 PolarHBondContact O-N 2.96Å; V17-R21 VanDerWaalsContact O-CB 3.31Å; V17-R21 WeakPolarHBondContact O-CB 3.4Å; V17-R21 PolarHBondContact O-N 2.86Å |
| 18 | A | 81 | Confident | 76 | Confident | 46 Ų | 46 | 90.8 Ų | 90.8 | 38% | 0.38 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G14 H15 L16 R21 N22 | G14-A18 WeakPolarHBondContact O-CB 3.23Å; G14-A18 PolarHBondContact O-N 3.39Å; H15-A18 WeakPolarHBondContact O-CB 3.34Å; H15-A18 PolarHBondContact O-N 3.35Å; L16-A18 VanDerWaalsContact C-N 3.33Å; A18-R21 PolarHBondContact O-N 3.38Å; A18-N22 WeakPolarHBondContact O-CB 3.47Å; A18-N22 VanDerWaalsContact O-CG 3.23Å; A18-N22 PolarHBondContact O-N 3.2Å; A18-N22 PolarHBondContact O-ND2 3.04Å |
| 19 | E | 79.9 | Confident | 77.6 | Confident | 85 Ų | 85 | 92.5 Ų | 92.5 | 40% | 0.397 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.1 | -43.5 | 177.5 | -169.8 | 169.4 | -163.1 | 0 | 0 | 111.6 | H15 L16 R21 N22 L23 | H15-E19 PolarHBondContact O-N 3.47Å; L16-E19 PolarHBondContact O-N 3.01Å; E19-R21 VanDerWaalsContact C-N 3.3Å; E19-R21 PolarHBondContact O-N 3.03Å; E19-N22 PolarHBondContact O-N 2.75Å; E19-N22 VanDerWaalsContact O-N 3.16Å; E19-L23 HydrophobicContact CG-CD1 4.39Å; E19-L23 WeakPolarHBondContact O-CB 3.49Å; E19-L23 WeakPolarHBondContact O-CG 3.5Å; E19-L23 PolarHBondContact O-N 2.87Å |
| 20 | T | 80.1 | Confident | 78.8 | Confident | 83 Ų | 83 | 92 Ų | 92 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.9 | -40.4 | 175 | -54.3 | 0 | 0 | 0 | 0 | 111.2 | L16 L23 S24 | L16-T20 WeakPolarHBondContact O-CB 3.45Å; L16-T20 PolarHBondContact O-N 3.34Å; L16-T20 PolarHBondContact O-OG1 3.16Å; T20-L23 PolarHBondContact O-N 3.4Å; T20-S24 VanDerWaalsContact O-CB 3.3Å; T20-S24 WeakPolarHBondContact O-CB 3.43Å; T20-S24 PolarHBondContact O-N 2.88Å |
| 21 | R | 82.1 | Confident | 80 | Confident | 188 Ų | 188 | 92.6 Ų | 92.6 | 71% | 0.709 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.1 | -39.9 | 175.5 | -170.8 | 176.6 | -177.1 | 170.8 | 1.4 | 111.9 | V17 A18 E19 S24 T25 | V17-R21 VanDerWaalsContact O-CB 3.31Å; V17-R21 WeakPolarHBondContact O-CB 3.4Å; V17-R21 PolarHBondContact O-N 2.86Å; A18-R21 PolarHBondContact O-N 3.38Å; E19-R21 VanDerWaalsContact C-N 3.3Å; E19-R21 PolarHBondContact O-N 3.03Å; R21-S24 PolarHBondContact O-N 3.23Å; R21-T25 WeakPolarHBondContact O-CB 3.23Å; R21-T25 PolarHBondContact O-N 3.38Å; R21-T25 PolarHBondContact O-OG1 3.36Å |
| 22 | N | 84 | Confident | 81 | Confident | 112 Ų | 112 | 89.5 Ų | 89.5 | 60% | 0.599 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.7 | -43.5 | 176 | -73.3 | -19.5 | 0 | 0 | 0 | 111.5 | A18 E19 T25 G26 | A18-N22 WeakPolarHBondContact O-CB 3.47Å; A18-N22 VanDerWaalsContact O-CG 3.23Å; A18-N22 PolarHBondContact O-N 3.2Å; A18-N22 PolarHBondContact O-ND2 3.04Å; E19-N22 PolarHBondContact O-N 2.75Å; E19-N22 VanDerWaalsContact O-N 3.16Å; N22-T25 PolarHBondContact O-N 2.93Å; N22-G26 PolarHBondContact O-N 2.79Å |
| 23 | L | 82.2 | Confident | 81.9 | Confident | 72 Ų | 72 | 89.2 Ų | 89.2 | 38% | 0.377 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 174.9 | -74.4 | 170.3 | 0 | 0 | 0 | 111.7 | E19 T20 T25 G26 L27 Y111 | E19-L23 HydrophobicContact CG-CD1 4.39Å; E19-L23 WeakPolarHBondContact O-CB 3.49Å; E19-L23 WeakPolarHBondContact O-CG 3.5Å; E19-L23 PolarHBondContact O-N 2.87Å; T20-L23 PolarHBondContact O-N 3.4Å; L23-T25 VanDerWaalsContact C-N 3.32Å; L23-T25 PolarHBondContact O-N 3.08Å; L23-G26 WeakPolarHBondContact O-CA 3.42Å; L23-G26 PolarHBondContact O-N 2.91Å; L23-G26 VanDerWaalsContact O-N 3.14Å; L23-L27 PolarHBondContact O-N 3.44Å; L23-Y111 WeakPolarHBondContact CD2-OH 3.3Å |
| 24 | S | 83.8 | Confident | 82.5 | Confident | 58 Ų | 58 | 89 Ų | 89 | 41% | 0.406 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.4 | -42 | 175.3 | 177.7 | 0 | 0 | 0 | 0 | 111.9 | T20 R21 G26 L27 Q28 | T20-S24 VanDerWaalsContact O-CB 3.3Å; T20-S24 WeakPolarHBondContact O-CB 3.43Å; T20-S24 PolarHBondContact O-N 2.88Å; R21-S24 PolarHBondContact O-N 3.23Å; S24-G26 VanDerWaalsContact C-N 3.33Å; S24-G26 PolarHBondContact O-N 2.87Å; S24-L27 PolarHBondContact O-N 3.41Å; S24-Q28 WeakPolarHBondContact O-CG 3.5Å; S24-Q28 PolarHBondContact O-N 3.44Å; S24-Q28 VanDerWaalsContact O-N 3.07Å |
| 25 | T | 85.8 | Confident | 82.9 | Confident | 56 Ų | 56 | 92.1 Ų | 92.1 | 34% | 0.344 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.7 | -37.3 | 174.8 | -52.5 | 0 | 0 | 0 | 0 | 111.5 | R21 N22 L23 K29 | R21-T25 WeakPolarHBondContact O-CB 3.23Å; R21-T25 PolarHBondContact O-N 3.38Å; R21-T25 PolarHBondContact O-OG1 3.36Å; N22-T25 PolarHBondContact O-N 2.93Å; L23-T25 VanDerWaalsContact C-N 3.32Å; L23-T25 PolarHBondContact O-N 3.08Å; T25-K29 WeakPolarHBondContact O-CG 3.3Å; T25-K29 PolarHBondContact O-N 3.49Å |
| 26 | G | 84.5 | Confident | 83.5 | Confident | 29 Ų | 29 | 89.9 Ų | 89.9 | 30% | 0.299 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N22 L23 S24 Q28 K29 I30 | N22-G26 PolarHBondContact O-N 2.79Å; L23-G26 WeakPolarHBondContact O-CA 3.42Å; L23-G26 PolarHBondContact O-N 2.91Å; L23-G26 VanDerWaalsContact O-N 3.14Å; S24-G26 VanDerWaalsContact C-N 3.33Å; S24-G26 PolarHBondContact O-N 2.87Å; G26-Q28 PolarHBondContact O-N 3.49Å; G26-K29 PolarHBondContact O-N 2.88Å; G26-I30 WeakPolarHBondContact O-CG1 3.42Å; G26-I30 PolarHBondContact O-N 2.93Å |
| 27 | L | 81.7 | Confident | 84 | Confident | 102 Ų | 102 | 91.1 Ų | 91.1 | 53% | 0.534 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.5 | -45.2 | 176.3 | -76.4 | 169.2 | 0 | 0 | 0 | 111.9 | L23 S24 K29 I30 E31 | L23-L27 PolarHBondContact O-N 3.44Å; S24-L27 PolarHBondContact O-N 3.41Å; L27-K29 VanDerWaalsContact C-N 3.27Å; L27-K29 PolarHBondContact O-N 2.74Å; L27-I30 PolarHBondContact O-N 3.33Å; L27-I30 VanDerWaalsContact O-N 3.11Å; L27-E31 WeakPolarHBondContact O-CG 3.48Å; L27-E31 PolarHBondContact O-N 3.36Å |
| 28 | Q | 85.4 | Confident | 84.2 | Confident | 120 Ų | 120 | 90.9 Ų | 90.9 | 56% | 0.561 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.6 | -37.1 | 176.4 | -73.5 | 176 | -11.6 | 0 | 0 | 112.7 | S24 G26 A32 | S24-Q28 WeakPolarHBondContact O-CG 3.5Å; S24-Q28 PolarHBondContact O-N 3.44Å; S24-Q28 VanDerWaalsContact O-N 3.07Å; G26-Q28 PolarHBondContact O-N 3.49Å; Q28-A32 WeakPolarHBondContact O-CB 3.15Å; Q28-A32 PolarHBondContact O-N 3.07Å |
| 29 | K | 89.1 | Confident | 84.5 | Confident | 141 Ų | 141 | 92.5 Ų | 92.5 | 61% | 0.613 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.7 | -40.6 | 175.4 | -72.7 | 177.9 | 178.6 | -176.2 | 0 | 112 | T25 G26 L27 A32 L33 | T25-K29 WeakPolarHBondContact O-CG 3.3Å; T25-K29 PolarHBondContact O-N 3.49Å; G26-K29 PolarHBondContact O-N 2.88Å; L27-K29 VanDerWaalsContact C-N 3.27Å; L27-K29 PolarHBondContact O-N 2.74Å; K29-A32 PolarHBondContact O-N 2.86Å; K29-L33 WeakPolarHBondContact O-CG 3.35Å; K29-L33 PolarHBondContact O-N 3.04Å |
| 30 | I | 82.3 | Confident | 84.8 | Confident | 80 Ų | 80 | 94.2 Ų | 94.2 | 41% | 0.41 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.2 | -44.3 | 177.2 | -67.8 | 167.8 | 0 | 0 | 0 | 110.3 | G26 L27 A32 L33 L34 | G26-I30 WeakPolarHBondContact O-CG1 3.42Å; G26-I30 PolarHBondContact O-N 2.93Å; L27-I30 PolarHBondContact O-N 3.33Å; L27-I30 VanDerWaalsContact O-N 3.11Å; I30-A32 PolarHBondContact O-N 3.1Å; I30-L33 PolarHBondContact O-N 2.91Å; I30-L34 HydrophobicContact CG2-CD1 4.21Å; I30-L34 WeakPolarHBondContact O-CG 3.09Å; I30-L34 PolarHBondContact O-N 3.46Å |
| 31 | E | 84.8 | Confident | 84.7 | Confident | 118 Ų | 118 | 93.4 Ų | 93.4 | 55% | 0.551 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.1 | -46.4 | 175.8 | -72.3 | 173.8 | 163 | 0 | 0 | 111.5 | L27 L33 L34 D35 | L27-E31 WeakPolarHBondContact O-CG 3.48Å; L27-E31 PolarHBondContact O-N 3.36Å; E31-L33 VanDerWaalsContact C-N 3.32Å; E31-L33 PolarHBondContact O-N 3.4Å; E31-L34 WeakPolarHBondContact O-CB 3.47Å; E31-L34 PolarHBondContact O-N 2.84Å; E31-D35 PolarHBondContact O-N 3.16Å |
| 32 | A | 87.7 | Confident | 84.8 | Confident | 52 Ų | 52 | 88 Ų | 88 | 43% | 0.43 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.8 | -35.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q28 K29 I30 T36 | Q28-A32 WeakPolarHBondContact O-CB 3.15Å; Q28-A32 PolarHBondContact O-N 3.07Å; K29-A32 PolarHBondContact O-N 2.86Å; I30-A32 PolarHBondContact O-N 3.1Å; A32-T36 PolarHBondContact O-N 3.04Å; A32-T36 VanDerWaalsContact O-N 3.16Å; A32-T36 PolarHBondContact O-OG1 3.2Å |
| 33 | L | 86.5 | Confident | 84.7 | Confident | 93 Ų | 93 | 86.8 Ų | 86.8 | 49% | 0.487 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68 | -41.5 | 174.6 | -73.8 | 172 | 0 | 0 | 0 | 111.6 | K29 I30 E31 D35 T36 L37 | K29-L33 WeakPolarHBondContact O-CG 3.35Å; K29-L33 PolarHBondContact O-N 3.04Å; I30-L33 PolarHBondContact O-N 2.91Å; E31-L33 VanDerWaalsContact C-N 3.32Å; E31-L33 PolarHBondContact O-N 3.4Å; L33-D35 PolarHBondContact O-N 2.84Å; L33-T36 PolarHBondContact O-N 3.21Å; L33-L37 PolarHBondContact O-N 3.46Å |
| 34 | L | 84.2 | Confident | 84.6 | Confident | 100 Ų | 100 | 89.2 Ų | 89.2 | 52% | 0.524 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 176.2 | -74.6 | 171.1 | 0 | 0 | 0 | 112.2 | I30 E31 T36 L37 T38 | I30-L34 HydrophobicContact CG2-CD1 4.21Å; I30-L34 WeakPolarHBondContact O-CG 3.09Å; I30-L34 PolarHBondContact O-N 3.46Å; E31-L34 WeakPolarHBondContact O-CB 3.47Å; E31-L34 PolarHBondContact O-N 2.84Å; L34-T36 VanDerWaalsContact C-N 3.33Å; L34-T36 PolarHBondContact O-N 3.49Å; L34-L37 PolarHBondContact O-N 3.18Å; L34-T38 WeakPolarHBondContact O-CB 3.45Å; L34-T38 PolarHBondContact O-N 2.95Å; L34-T38 PolarHBondContact O-OG1 3.37Å |
| 35 | D | 86.6 | Confident | 84.4 | Confident | 111 Ų | 111 | 91.8 Ų | 91.8 | 59% | 0.594 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.4 | -40.8 | 175.6 | -76.2 | -16.8 | 0 | 0 | 0 | 111.8 | E31 L33 T39 | E31-D35 PolarHBondContact O-N 3.16Å; L33-D35 PolarHBondContact O-N 2.84Å; D35-T39 WeakPolarHBondContact O-CB 3.49Å; D35-T39 PolarHBondContact O-N 3.31Å; D35-T39 PolarHBondContact O-OG1 3.49Å |
| 36 | T | 89 | Confident | 84.1 | Confident | 73 Ų | 73 | 94 Ų | 94 | 45% | 0.448 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.3 | -46.1 | 177.1 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | A32 L33 L34 T39 Q40 | A32-T36 PolarHBondContact O-N 3.04Å; A32-T36 VanDerWaalsContact O-N 3.16Å; A32-T36 PolarHBondContact O-OG1 3.2Å; L33-T36 PolarHBondContact O-N 3.21Å; L34-T36 VanDerWaalsContact C-N 3.33Å; L34-T36 PolarHBondContact O-N 3.49Å; T36-T39 PolarHBondContact O-N 3.21Å; T36-Q40 WeakPolarHBondContact O-CG 3.49Å; T36-Q40 PolarHBondContact O-N 2.91Å |
| 37 | L | 83.3 | Confident | 83.8 | Confident | 102 Ų | 102 | 97.3 Ų | 97.3 | 53% | 0.534 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 177.9 | -100.9 | 141.1 | 0 | 0 | 0 | 112.2 | L33 L34 T39 Q40 S41 | L33-L37 PolarHBondContact O-N 3.46Å; L34-L37 PolarHBondContact O-N 3.18Å; L37-T39 VanDerWaalsContact C-N 3.31Å; L37-T39 PolarHBondContact O-N 3.19Å; L37-Q40 PolarHBondContact O-N 3.11Å; L37-S41 WeakPolarHBondContact O-CB 3.41Å; L37-S41 PolarHBondContact O-N 3.04Å |
| 38 | T | 84.3 | Confident | 83.3 | Confident | 87 Ų | 87 | 95.1 Ų | 95.1 | 53% | 0.534 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.2 | -43.4 | 175.6 | -58.4 | 0 | 0 | 0 | 0 | 111.4 | L34 S41 T42 | L34-T38 WeakPolarHBondContact O-CB 3.45Å; L34-T38 PolarHBondContact O-N 2.95Å; L34-T38 PolarHBondContact O-OG1 3.37Å; T38-S41 PolarHBondContact O-N 2.87Å; T38-T42 PolarHBondContact O-N 3.14Å; T38-T42 PolarHBondContact O-OG1 3.31Å |
| 39 | T | 87.3 | Confident | 82.8 | Confident | 81 Ų | 81 | 96.9 Ų | 96.9 | 50% | 0.497 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.9 | -46.3 | 178.3 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | D35 T36 L37 S41 T42 N43 | D35-T39 WeakPolarHBondContact O-CB 3.49Å; D35-T39 PolarHBondContact O-N 3.31Å; D35-T39 PolarHBondContact O-OG1 3.49Å; T36-T39 PolarHBondContact O-N 3.21Å; L37-T39 VanDerWaalsContact C-N 3.31Å; L37-T39 PolarHBondContact O-N 3.19Å; T39-S41 PolarHBondContact O-N 3.07Å; T39-T42 PolarHBondContact O-N 2.72Å; T39-N43 VanDerWaalsContact O-CG 3.31Å; T39-N43 PolarHBondContact O-N 3.33Å; T39-N43 PolarHBondContact O-ND2 3.35Å |
| 40 | Q | 85.5 | Confident | 82.2 | Confident | 121 Ų | 121 | 93.9 Ų | 93.9 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.8 | -43.3 | 176.9 | -73.9 | 179.6 | -6.2 | 0 | 0 | 112.1 | T36 L37 N43 Y44 | T36-Q40 WeakPolarHBondContact O-CG 3.49Å; T36-Q40 PolarHBondContact O-N 2.91Å; L37-Q40 PolarHBondContact O-N 3.11Å; Q40-N43 PolarHBondContact O-N 3.48Å; Q40-Y44 WeakPolarHBondContact O-CB 3.48Å; Q40-Y44 PolarHBondContact O-N 3.06Å |
| 41 | S | 79.2 | Confident | 81.7 | Confident | 66 Ų | 66 | 95 Ų | 95 | 46% | 0.462 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 177 | -173.6 | 0 | 0 | 0 | 0 | 111.8 | L37 T38 T39 N43 Y44 L45 | L37-S41 WeakPolarHBondContact O-CB 3.41Å; L37-S41 PolarHBondContact O-N 3.04Å; T38-S41 PolarHBondContact O-N 2.87Å; T39-S41 PolarHBondContact O-N 3.07Å; S41-N43 PolarHBondContact O-N 2.86Å; S41-Y44 PolarHBondContact O-N 3.42Å; S41-L45 WeakPolarHBondContact O-CG 3.43Å; S41-L45 PolarHBondContact O-N 2.96Å |
| 42 | T | 83.3 | Confident | 80.9 | Confident | 74 Ų | 74 | 94 Ų | 94 | 45% | 0.454 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.2 | -47 | 178 | -54 | 0 | 0 | 0 | 0 | 111.3 | T38 T39 Y44 L45 E46 | T38-T42 PolarHBondContact O-N 3.14Å; T38-T42 PolarHBondContact O-OG1 3.31Å; T39-T42 PolarHBondContact O-N 2.72Å; T42-Y44 VanDerWaalsContact C-N 3.33Å; T42-Y44 PolarHBondContact O-N 2.92Å; T42-L45 PolarHBondContact O-N 2.97Å; T42-E46 WeakPolarHBondContact O-CB 3.32Å; T42-E46 PolarHBondContact O-N 2.89Å |
| 43 | N | 82.7 | Confident | 80.1 | Confident | 87 Ų | 87 | 96.3 Ų | 96.3 | 47% | 0.465 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.1 | -40.2 | 176.7 | -71.9 | -23.9 | 0 | 0 | 0 | 112.3 | T39 Q40 S41 E46 N47 | T39-N43 VanDerWaalsContact O-CG 3.31Å; T39-N43 PolarHBondContact O-N 3.33Å; T39-N43 PolarHBondContact O-ND2 3.35Å; Q40-N43 PolarHBondContact O-N 3.48Å; S41-N43 PolarHBondContact O-N 2.86Å; N43-E46 PolarHBondContact O-N 3.29Å; N43-N47 WeakPolarHBondContact O-CB 3.3Å; N43-N47 VanDerWaalsContact O-CG 3.26Å; N43-N47 PolarHBondContact O-N 3.4Å; N43-N47 PolarHBondContact O-ND2 2.85Å |
| 44 | Y | 79.1 | Confident | 79 | Confident | 123 Ų | 123 | 95.1 Ų | 95.1 | 48% | 0.482 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.1 | -46.3 | 177 | -179.4 | -97.1 | 0 | 0 | 0 | 111.7 | Q40 S41 T42 E46 N47 M48 | Q40-Y44 WeakPolarHBondContact O-CB 3.48Å; Q40-Y44 PolarHBondContact O-N 3.06Å; S41-Y44 PolarHBondContact O-N 3.42Å; T42-Y44 VanDerWaalsContact C-N 3.33Å; T42-Y44 PolarHBondContact O-N 2.92Å; Y44-E46 VanDerWaalsContact C-N 3.34Å; Y44-E46 PolarHBondContact O-N 2.76Å; Y44-N47 PolarHBondContact O-N 3.2Å; Y44-M48 HydrophobicContact CD1-CG 4.26Å; Y44-M48 HydrophobicContact CE1-CG 3.89Å; Y44-M48 WeakPolarHBondContact O-CG 3.5Å; Y44-M48 PolarHBondContact O-N 3.35Å |
| 45 | L | 80.6 | Confident | 77.8 | Confident | 112 Ų | 112 | 95.6 Ų | 95.6 | 59% | 0.586 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.8 | -38.5 | 177.6 | -69.6 | 175 | 0 | 0 | 0 | 112.2 | S41 T42 M48 R49 | S41-L45 WeakPolarHBondContact O-CG 3.43Å; S41-L45 PolarHBondContact O-N 2.96Å; T42-L45 PolarHBondContact O-N 2.97Å; L45-M48 PolarHBondContact O-N 3.41Å; L45-R49 WeakPolarHBondContact O-CB 3.49Å; L45-R49 PolarHBondContact O-N 2.91Å |
| 46 | E | 79.8 | Confident | 76.2 | Confident | 101 Ų | 101 | 96.4 Ų | 96.4 | 47% | 0.472 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.5 | -42.9 | 176.2 | -171.7 | 128.4 | -139.6 | 0 | 0 | 111.9 | T42 N43 Y44 M48 R49 N50 | T42-E46 WeakPolarHBondContact O-CB 3.32Å; T42-E46 PolarHBondContact O-N 2.89Å; N43-E46 PolarHBondContact O-N 3.29Å; Y44-E46 VanDerWaalsContact C-N 3.34Å; Y44-E46 PolarHBondContact O-N 2.76Å; E46-M48 PolarHBondContact O-N 3.33Å; E46-R49 WeakPolarHBondContact O-CB 3.47Å; E46-R49 PolarHBondContact O-N 2.95Å; E46-N50 VanDerWaalsContact O-CG 3.31Å; E46-N50 PolarHBondContact O-N 2.93Å; E46-N50 PolarHBondContact O-ND2 3.43Å |
| 47 | N | 78.5 | Confident | 74.5 | Confident | 100 Ų | 100 | 102.5 Ų | 102.5 | 54% | 0.535 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.8 | -44.5 | 173.9 | -74.7 | -21.8 | 0 | 0 | 0 | 111.9 | N43 Y44 R49 N50 L51 | N43-N47 WeakPolarHBondContact O-CB 3.3Å; N43-N47 VanDerWaalsContact O-CG 3.26Å; N43-N47 PolarHBondContact O-N 3.4Å; N43-N47 PolarHBondContact O-ND2 2.85Å; Y44-N47 PolarHBondContact O-N 3.2Å; N47-R49 VanDerWaalsContact C-N 3.32Å; N47-R49 PolarHBondContact O-N 3.35Å; N47-N50 PolarHBondContact O-N 3.26Å; N47-L51 WeakPolarHBondContact O-CG 3.44Å; N47-L51 PolarHBondContact O-N 3.49Å |
| 48 | M | 70.9 | Confident | 73 | Confident | 55 Ų | 55 | 100.9 Ų | 100.9 | 27% | 0.271 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.2 | -40.6 | 174.8 | -74 | -63.5 | -65.2 | 0 | 0 | 112 | Y44 L45 E46 L51 L52 | Y44-M48 HydrophobicContact CD1-CG 4.26Å; Y44-M48 HydrophobicContact CE1-CG 3.89Å; Y44-M48 WeakPolarHBondContact O-CG 3.5Å; Y44-M48 PolarHBondContact O-N 3.35Å; L45-M48 PolarHBondContact O-N 3.41Å; E46-M48 PolarHBondContact O-N 3.33Å; M48-L51 PolarHBondContact O-N 3.01Å; M48-L51 HydrophobicContact SD-CD1 4.37Å; M48-L52 WeakPolarHBondContact O-CG 3.44Å; M48-L52 PolarHBondContact O-N 3.17Å; M48-L52 VanDerWaalsContact O-N 3.09Å |
| 49 | R | 74.3 | Confident | 71.5 | Confident | 158 Ų | 158 | 104.6 Ų | 104.6 | 60% | 0.596 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.2 | -39.4 | 175.8 | -168.5 | -178.5 | -168 | -179.2 | 6 | 112 | L45 E46 N47 K53 | L45-R49 WeakPolarHBondContact O-CB 3.49Å; L45-R49 PolarHBondContact O-N 2.91Å; E46-R49 WeakPolarHBondContact O-CB 3.47Å; E46-R49 PolarHBondContact O-N 2.95Å; N47-R49 VanDerWaalsContact C-N 3.32Å; N47-R49 PolarHBondContact O-N 3.35Å; R49-K53 WeakPolarHBondContact O-CG 3.44Å; R49-K53 PolarHBondContact O-N 3.06Å; R49-K53 VanDerWaalsContact O-N 3.09Å |
| 50 | N | 75.8 | Confident | 69.7 | Low | 78 Ų | 78 | 104.8 Ų | 104.8 | 42% | 0.417 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.8 | -38.9 | 178.1 | -71.5 | -27.2 | 0 | 0 | 0 | 112.1 | E46 N47 K53 S54 | E46-N50 VanDerWaalsContact O-CG 3.31Å; E46-N50 PolarHBondContact O-N 2.93Å; E46-N50 PolarHBondContact O-ND2 3.43Å; N47-N50 PolarHBondContact O-N 3.26Å; N50-K53 PolarHBondContact O-N 3.16Å; N50-S54 PolarHBondContact O-N 2.89Å |
| 51 | L | 72.6 | Confident | 68 | Low | 103 Ų | 103 | 105.7 Ų | 105.7 | 54% | 0.539 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.7 | -49.1 | 173.3 | -75 | 168.2 | 0 | 0 | 0 | 111.3 | N47 M48 K53 S54 E55 | N47-L51 WeakPolarHBondContact O-CG 3.44Å; N47-L51 PolarHBondContact O-N 3.49Å; M48-L51 PolarHBondContact O-N 3.01Å; M48-L51 HydrophobicContact SD-CD1 4.37Å; L51-K53 VanDerWaalsContact C-N 3.35Å; L51-K53 PolarHBondContact O-N 2.99Å; L51-S54 PolarHBondContact O-N 2.96Å; L51-S54 PolarHBondContact O-OG 3.43Å; L51-E55 PolarHBondContact O-N 3.21Å; L51-E55 VanDerWaalsContact O-N 3.12Å |
| 52 | L | 66.8 | Low | 66.7 | Low | 98 Ų | 98 | 111.1 Ų | 111.1 | 51% | 0.513 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.6 | -41.5 | 177.6 | -70.3 | 169.2 | 0 | 0 | 0 | 112.5 | M48 S54 E55 D56 | M48-L52 WeakPolarHBondContact O-CG 3.44Å; M48-L52 PolarHBondContact O-N 3.17Å; M48-L52 VanDerWaalsContact O-N 3.09Å; L52-S54 VanDerWaalsContact C-N 3.26Å; L52-S54 PolarHBondContact O-N 3.44Å; L52-E55 PolarHBondContact O-N 2.95Å; L52-D56 PolarHBondContact O-N 3.31Å |
| 53 | K | 71.9 | Confident | 65 | Low | 100 Ų | 100 | 115.9 Ų | 115.9 | 44% | 0.435 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.6 | -30.3 | 174.9 | -76.3 | 177 | 179.7 | 176.5 | 0 | 113.3 | R49 N50 L51 | R49-K53 WeakPolarHBondContact O-CG 3.44Å; R49-K53 PolarHBondContact O-N 3.06Å; R49-K53 VanDerWaalsContact O-N 3.09Å; N50-K53 PolarHBondContact O-N 3.16Å; L51-K53 VanDerWaalsContact C-N 3.35Å; L51-K53 PolarHBondContact O-N 2.99Å |
| 54 | S | 64.2 | Low | 63.7 | Low | 67 Ų | 67 | 115 Ų | 115 | 47% | 0.469 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -75 | -35.1 | 177.9 | 73.6 | 0 | 0 | 0 | 0 | 112.1 | N50 L51 L52 R57 A58 | N50-S54 PolarHBondContact O-N 2.89Å; L51-S54 PolarHBondContact O-N 2.96Å; L51-S54 PolarHBondContact O-OG 3.43Å; L52-S54 VanDerWaalsContact C-N 3.26Å; L52-S54 PolarHBondContact O-N 3.44Å; S54-R57 PolarHBondContact O-N 2.95Å; S54-A58 PolarHBondContact O-N 2.91Å |
| 55 | E | 58.2 | Low | 62.4 | Low | 110 Ų | 110 | 112 Ų | 112 | 51% | 0.514 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66 | -41.3 | 174.9 | -71.6 | -175.2 | 158 | 0 | 0 | 111.7 | L51 L52 R57 A58 H59 | L51-E55 PolarHBondContact O-N 3.21Å; L51-E55 VanDerWaalsContact O-N 3.12Å; L52-E55 PolarHBondContact O-N 2.95Å; E55-R57 VanDerWaalsContact C-N 3.26Å; E55-R57 PolarHBondContact O-N 3.4Å; E55-A58 PolarHBondContact O-N 3.14Å; E55-H59 PolarHBondContact O-ND1 3.19Å |
| 56 | D | 52.9 | Low | 61.1 | Low | 129 Ų | 129 | 111.2 Ų | 111.2 | 69% | 0.69 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.4 | -30.9 | 178.3 | -78.1 | -22.7 | 0 | 0 | 0 | 113.1 | L52 | L52-D56 PolarHBondContact O-N 3.31Å |
| 57 | R | 52.9 | Low | 60.1 | Low | 200 Ų | 200 | 114 Ų | 114 | 76% | 0.755 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -76.4 | -32.3 | 179.6 | -69.9 | -178.2 | -174.8 | -173.1 | 1 | 113 | S54 E55 H59 S60 | S54-R57 PolarHBondContact O-N 2.95Å; E55-R57 VanDerWaalsContact C-N 3.26Å; E55-R57 PolarHBondContact O-N 3.4Å; R57-H59 PolarHBondContact O-N 3.35Å; R57-S60 PolarHBondContact O-OG 2.87Å |
| 58 | A | 53.4 | Low | 59.1 | Low | 69 Ų | 69 | 113.9 Ų | 113.9 | 57% | 0.57 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -68.1 | -21.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S54 E55 S60 | S54-A58 PolarHBondContact O-N 2.91Å; E55-A58 PolarHBondContact O-N 3.14Å; A58-S60 PolarHBondContact O-N 3.27Å |
| 59 | H | 50.9 | Low | 58.4 | Low | 164 Ų | 164 | 115.1 Ų | 115.1 | 76% | 0.759 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -0.9 | -174.2 | -70.6 | 81.4 | 0 | 0 | 0 | 115.1 | E55 R57 | E55-H59 PolarHBondContact O-ND1 3.19Å; R57-H59 PolarHBondContact O-N 3.35Å |
| 60 | S | 50.6 | Low | 57.7 | Low | 86 Ų | 86 | 114.1 Ų | 114.1 | 60% | 0.601 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | -2.5 | -167.6 | 64 | 0 | 0 | 0 | 0 | 117.1 | R57 A58 | R57-S60 PolarHBondContact O-OG 2.87Å; A58-S60 PolarHBondContact O-N 3.27Å |
| 61 | N | 49.6 | Very low | 57 | Low | 139 Ų | 139 | 113 Ų | 113 | 74% | 0.743 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -138.8 | 25.9 | -161.2 | -98.6 | -2.7 | 0 | 0 | 0 | 118.4 | ||
| 62 | Y | 50.9 | Low | 56.2 | Low | 181 Ų | 181 | 112 Ų | 112 | 71% | 0.71 | 59% | 0.587 | S | S | * | * | trans | -123.9 | 113.8 | 179.4 | -81.2 | -89.4 | 0 | 0 | 0 | 114 | I64 | Y62-I64 PolarHBondContact O-N 3.42Š| ||
| 63 | D | 49.4 | Very low | 55.7 | Low | 173 Ų | 173 | 112.5 Ų | 112.5 | 93% | 0.925 | 59% | 0.589 | S | S | * | * | trans | -69.7 | 100.3 | 152.5 | -93.2 | -30.8 | 0 | 0 | 0 | 107.3 | ||||
| 64 | I | 54 | Low | 55.2 | Low | 68 Ų | 68 | 112.9 Ų | 112.9 | 35% | 0.349 | 60% | 0.596 | S | S | . | * | trans | -96.2 | 123.7 | -170 | -68.2 | 159.6 | 0 | 0 | 0 | 109.4 | Y62 E68 L69 L72 | Y62-I64 PolarHBondContact O-N 3.42Å; I64-E68 HydrophobicContact CG2-CB 3.66Å; I64-L69 HydrophobicContact CG2-CB 3.77Å; I64-L69 HydrophobicContact CG2-CD1 3.94Å; I64-L72 HydrophobicContact CB-CD1 4.42Å; I64-L72 HydrophobicContact CD1-CD1 3.3Å; I64-L72 HydrophobicContact CG1-CD1 3.71Å; I64-L72 HydrophobicContact CG2-CD1 3.77Å | ||
| 65 | S | 52.6 | Low | 55 | Low | 60 Ų | 60 | 114.3 Ų | 114.3 | 42% | 0.42 | 60% | 0.598 | S | S | . | * | trans | -69.1 | 151.9 | 170.6 | 64.7 | 0 | 0 | 0 | 0 | 111.3 | M67 E68 L69 | S65-M67 PolarHBondContact O-N 3.24Å; S65-E68 WeakPolarHBondContact CB-OE2 3.18Å; S65-E68 PolarHBondContact N-OE2 3.06Å; S65-E68 CarbonylContact O-C 3.52Å; S65-E68 WeakPolarHBondContact O-CA 3.22Å; S65-E68 WeakPolarHBondContact O-CB 3.39Å; S65-E68 PolarHBondContact O-N 3.34Å; S65-E68 WeakPolarHBondContact OG-CG 3.36Å; S65-E68 PolarHBondContact OG-OE2 3.38Å; S65-L69 PolarHBondContact O-N 2.93Å | ||
| 66 | S | 52.4 | Low | 54.9 | Low | 96 Ų | 96 | 112 Ų | 112 | 67% | 0.671 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -57.6 | -26.8 | -173.7 | -162.9 | 0 | 0 | 0 | 0 | 114.5 | L69 E70 | S66-L69 PolarHBondContact O-N 3.44Å; S66-E70 PolarHBondContact O-N 2.76Å |
| 67 | M | 59.5 | Low | 55.3 | Low | 161 Ų | 161 | 108.5 Ų | 108.5 | 79% | 0.793 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -76.6 | -35.4 | 175 | -167.6 | 175.5 | -85.1 | 0 | 0 | 111.8 | S65 L69 A71 | S65-M67 PolarHBondContact O-N 3.24Å; M67-L69 VanDerWaalsContact C-N 3.33Å; M67-A71 PolarHBondContact O-N 3Å; M67-A71 VanDerWaalsContact O-N 3.16Å |
| 68 | E | 57.3 | Low | 55.8 | Low | 96 Ų | 96 | 105.4 Ų | 105.4 | 45% | 0.449 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -70.5 | -30.3 | 169.4 | -70.3 | 167.1 | 146.6 | 0 | 0 | 111.5 | I64 S65 A71 L72 | I64-E68 HydrophobicContact CG2-CB 3.66Å; S65-E68 WeakPolarHBondContact CB-OE2 3.18Å; S65-E68 PolarHBondContact N-OE2 3.06Å; S65-E68 CarbonylContact O-C 3.52Å; S65-E68 WeakPolarHBondContact O-CA 3.22Å; S65-E68 WeakPolarHBondContact O-CB 3.39Å; S65-E68 PolarHBondContact O-N 3.34Å; S65-E68 WeakPolarHBondContact OG-CG 3.36Å; S65-E68 PolarHBondContact OG-OE2 3.38Å; E68-A71 PolarHBondContact O-N 2.89Å; E68-L72 VanDerWaalsContact O-CB 3.23Å; E68-L72 WeakPolarHBondContact O-CB 3.43Å; E68-L72 WeakPolarHBondContact O-CG 3.5Å; E68-L72 PolarHBondContact O-N 3.35Å |
| 69 | L | 55.8 | Low | 56.4 | Low | 82 Ų | 82 | 105.4 Ų | 105.4 | 43% | 0.429 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.3 | -42.4 | 175.6 | -164.1 | 74.6 | 0 | 0 | 0 | 111.2 | I64 S65 S66 M67 L72 L73 | I64-L69 HydrophobicContact CG2-CB 3.77Å; I64-L69 HydrophobicContact CG2-CD1 3.94Å; S65-L69 PolarHBondContact O-N 2.93Å; S66-L69 PolarHBondContact O-N 3.44Å; M67-L69 VanDerWaalsContact C-N 3.33Å; L69-L72 PolarHBondContact O-N 3.35Å; L69-L73 HydrophobicContact CG-CD1 4.25Å; L69-L73 VanDerWaalsContact O-CB 3.32Å; L69-L73 WeakPolarHBondContact O-CB 3.5Å; L69-L73 WeakPolarHBondContact O-CG 3.34Å; L69-L73 PolarHBondContact O-N 2.98Å |
| 70 | E | 59.2 | Low | 57.4 | Low | 136 Ų | 136 | 100 Ų | 100 | 64% | 0.636 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.1 | -39.5 | 173.6 | -81.5 | -176.2 | 162.8 | 0 | 0 | 112.3 | S66 L73 N74 | S66-E70 PolarHBondContact O-N 2.76Å; E70-L73 PolarHBondContact O-N 2.86Å; E70-N74 WeakPolarHBondContact O-CB 3.29Å; E70-N74 PolarHBondContact O-N 2.84Å |
| 71 | A | 61.8 | Low | 58.6 | Low | 55 Ų | 55 | 100.4 Ų | 100.4 | 46% | 0.455 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | M67 E68 N74 D75 | M67-A71 PolarHBondContact O-N 3Å; M67-A71 VanDerWaalsContact O-N 3.16Å; E68-A71 PolarHBondContact O-N 2.89Å; A71-N74 PolarHBondContact O-N 3.47Å; A71-D75 WeakPolarHBondContact O-CB 3.36Å; A71-D75 PolarHBondContact O-N 2.89Å |
| 72 | L | 55.9 | Low | 59.7 | Low | 83 Ų | 83 | 102.3 Ų | 102.3 | 44% | 0.435 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69 | -32.3 | 176 | -76 | 168.3 | 0 | 0 | 0 | 112.8 | I64 E68 L69 S76 | I64-L72 HydrophobicContact CB-CD1 4.42Å; I64-L72 HydrophobicContact CD1-CD1 3.3Å; I64-L72 HydrophobicContact CG1-CD1 3.71Å; I64-L72 HydrophobicContact CG2-CD1 3.77Å; E68-L72 VanDerWaalsContact O-CB 3.23Å; E68-L72 WeakPolarHBondContact O-CB 3.43Å; E68-L72 WeakPolarHBondContact O-CG 3.5Å; E68-L72 PolarHBondContact O-N 3.35Å; L69-L72 PolarHBondContact O-N 3.35Å; L72-S76 WeakPolarHBondContact O-CA 3.49Å; L72-S76 WeakPolarHBondContact O-CB 3.42Å; L72-S76 PolarHBondContact O-N 2.87Å |
| 73 | L | 57.1 | Low | 60.8 | Low | 108 Ų | 108 | 97.1 Ų | 97.1 | 57% | 0.565 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -71.4 | -37.8 | 173.5 | -76 | 167.9 | 0 | 0 | 0 | 111.2 | L69 E70 S76 S77 | L69-L73 HydrophobicContact CG-CD1 4.25Å; L69-L73 VanDerWaalsContact O-CB 3.32Å; L69-L73 WeakPolarHBondContact O-CB 3.5Å; L69-L73 WeakPolarHBondContact O-CG 3.34Å; L69-L73 PolarHBondContact O-N 2.98Å; E70-L73 PolarHBondContact O-N 2.86Å; L73-S76 PolarHBondContact O-N 2.98Å; L73-S77 WeakPolarHBondContact O-CB 3.45Å; L73-S77 PolarHBondContact O-N 2.92Å |
| 74 | N | 61.2 | Low | 62.1 | Low | 108 Ų | 108 | 95.3 Ų | 95.3 | 58% | 0.578 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67 | -43.5 | 172.6 | -107.8 | -14.9 | 0 | 0 | 0 | 111.6 | E70 A71 S77 K78 | E70-N74 WeakPolarHBondContact O-CB 3.29Å; E70-N74 PolarHBondContact O-N 2.84Å; A71-N74 PolarHBondContact O-N 3.47Å; N74-S77 PolarHBondContact O-N 2.82Å; N74-S77 PolarHBondContact O-OG 3.43Å; N74-K78 WeakPolarHBondContact O-CG 3.42Å; N74-K78 PolarHBondContact O-N 3.33Å; N74-K78 VanDerWaalsContact O-N 3.11Å |
| 75 | D | 58.6 | Low | 63.1 | Low | 96 Ų | 96 | 97.7 Ų | 97.7 | 51% | 0.513 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.8 | -32.4 | 174.4 | -88.3 | -9 | 0 | 0 | 0 | 112.5 | A71 K78 S79 | A71-D75 WeakPolarHBondContact O-CB 3.36Å; A71-D75 PolarHBondContact O-N 2.89Å; D75-K78 PolarHBondContact O-N 3.19Å; D75-S79 VanDerWaalsContact O-CB 3.29Å; D75-S79 WeakPolarHBondContact O-CB 3.27Å; D75-S79 PolarHBondContact O-N 3.43Å; D75-S79 PolarHBondContact O-OG 2.95Å |
| 76 | S | 58 | Low | 64.1 | Low | 63 Ų | 63 | 98.3 Ų | 98.3 | 44% | 0.441 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.3 | -37.9 | 172.4 | 177.5 | 0 | 0 | 0 | 0 | 111.5 | L72 L73 S79 S80 | L72-S76 WeakPolarHBondContact O-CA 3.49Å; L72-S76 WeakPolarHBondContact O-CB 3.42Å; L72-S76 PolarHBondContact O-N 2.87Å; L73-S76 PolarHBondContact O-N 2.98Å; S76-S79 WeakPolarHBondContact CA-OG 3.48Å; S76-S79 PolarHBondContact O-N 3.3Å; S76-S79 PolarHBondContact O-OG 3.35Å; S76-S79 VanDerWaalsContact O-OG 3.07Å; S76-S80 WeakPolarHBondContact O-CB 3.4Å; S76-S80 PolarHBondContact O-N 3.45Å |
| 77 | S | 60.5 | Low | 65.4 | Low | 54 Ų | 54 | 101.7 Ų | 101.7 | 38% | 0.378 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.8 | -39.5 | 173.6 | 79.9 | 0 | 0 | 0 | 0 | 111.6 | L73 N74 N81 | L73-S77 WeakPolarHBondContact O-CB 3.45Å; L73-S77 PolarHBondContact O-N 2.92Å; N74-S77 PolarHBondContact O-N 2.82Å; N74-S77 PolarHBondContact O-OG 3.43Å; S77-N81 WeakPolarHBondContact O-CB 3.48Å; S77-N81 VanDerWaalsContact O-CG 3.26Å; S77-N81 PolarHBondContact O-N 2.81Å; S77-N81 PolarHBondContact O-ND2 2.93Å |
| 78 | K | 64.2 | Low | 66.3 | Low | 135 Ų | 135 | 96 Ų | 96 | 59% | 0.587 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.1 | -41.8 | 174.4 | -71.6 | 176.8 | -175.9 | 170.8 | 0 | 112 | N74 D75 N81 R82 | N74-K78 WeakPolarHBondContact O-CG 3.42Å; N74-K78 PolarHBondContact O-N 3.33Å; N74-K78 VanDerWaalsContact O-N 3.11Å; D75-K78 PolarHBondContact O-N 3.19Å; K78-N81 PolarHBondContact O-N 3.31Å; K78-R82 VanDerWaalsContact O-CB 3.28Å; K78-R82 WeakPolarHBondContact O-CB 3.34Å; K78-R82 PolarHBondContact O-N 3.02Å |
| 79 | S | 65.1 | Low | 67.4 | Low | 69 Ų | 69 | 97.2 Ų | 97.2 | 48% | 0.483 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.1 | -39.7 | 178 | 78.3 | 0 | 0 | 0 | 0 | 111 | D75 S76 R82 L83 | D75-S79 VanDerWaalsContact O-CB 3.29Å; D75-S79 WeakPolarHBondContact O-CB 3.27Å; D75-S79 PolarHBondContact O-N 3.43Å; D75-S79 PolarHBondContact O-OG 2.95Å; S76-S79 WeakPolarHBondContact CA-OG 3.48Å; S76-S79 PolarHBondContact O-N 3.3Å; S76-S79 PolarHBondContact O-OG 3.35Å; S76-S79 VanDerWaalsContact O-OG 3.07Å; S79-R82 PolarHBondContact O-N 3.43Å; S79-L83 WeakPolarHBondContact O-CB 3.42Å; S79-L83 PolarHBondContact O-N 2.93Å |
| 80 | S | 72.5 | Confident | 68.5 | Low | 52 Ų | 52 | 95.6 Ų | 95.6 | 36% | 0.364 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.7 | -44.3 | 174.5 | -176.7 | 0 | 0 | 0 | 0 | 111.6 | S76 L83 K84 | S76-S80 WeakPolarHBondContact O-CB 3.4Å; S76-S80 PolarHBondContact O-N 3.45Å; S80-L83 PolarHBondContact O-N 3.4Å; S80-K84 WeakPolarHBondContact O-CB 3.33Å; S80-K84 WeakPolarHBondContact O-CG 3.41Å; S80-K84 PolarHBondContact O-N 3.27Å |
| 81 | N | 74.6 | Confident | 69.8 | Low | 93 Ų | 93 | 94 Ų | 94 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.4 | -42.5 | 174.6 | -74.6 | -25.5 | 0 | 0 | 0 | 111.9 | S77 K78 L83 K84 L85 | S77-N81 WeakPolarHBondContact O-CB 3.48Å; S77-N81 VanDerWaalsContact O-CG 3.26Å; S77-N81 PolarHBondContact O-N 2.81Å; S77-N81 PolarHBondContact O-ND2 2.93Å; K78-N81 PolarHBondContact O-N 3.31Å; N81-L83 PolarHBondContact O-N 2.95Å; N81-K84 PolarHBondContact O-N 3.5Å; N81-L85 WeakPolarHBondContact O-CG 3.47Å; N81-L85 PolarHBondContact O-N 2.91Å |
| 82 | R | 73.4 | Confident | 70.8 | Confident | 180 Ų | 180 | 97.2 Ų | 97.2 | 68% | 0.679 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.8 | -42.2 | 174.5 | -175.5 | 177.1 | 178.2 | -176.8 | -0.7 | 111.8 | K78 S79 L85 M86 | K78-R82 VanDerWaalsContact O-CB 3.28Å; K78-R82 WeakPolarHBondContact O-CB 3.34Å; K78-R82 PolarHBondContact O-N 3.02Å; S79-R82 PolarHBondContact O-N 3.43Å; R82-L85 PolarHBondContact O-N 3.45Å; R82-M86 HydrophobicContact CG-SD 4.37Å; R82-M86 WeakPolarHBondContact O-CB 3.37Å; R82-M86 WeakPolarHBondContact O-CG 3.36Å; R82-M86 PolarHBondContact O-N 3.48Å |
| 83 | L | 73.4 | Confident | 72.2 | Confident | 71 Ų | 71 | 97.1 Ų | 97.1 | 37% | 0.372 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.2 | -39.1 | 177.5 | -175.5 | 64.6 | 0 | 0 | 0 | 111.3 | S79 S80 N81 M86 R87 | S79-L83 WeakPolarHBondContact O-CB 3.42Å; S79-L83 PolarHBondContact O-N 2.93Å; S80-L83 PolarHBondContact O-N 3.4Å; N81-L83 PolarHBondContact O-N 2.95Å; L83-M86 PolarHBondContact O-N 3.49Å; L83-R87 WeakPolarHBondContact O-CB 3.47Å; L83-R87 WeakPolarHBondContact O-CG 3.38Å; L83-R87 PolarHBondContact O-N 2.83Å |
| 84 | K | 76.5 | Confident | 73.5 | Confident | 135 Ų | 135 | 98.9 Ų | 98.9 | 59% | 0.587 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.3 | -44.5 | 172.6 | -76.7 | 176.9 | -176.4 | 176.4 | 0 | 111.8 | S80 N81 R87 G88 | S80-K84 WeakPolarHBondContact O-CB 3.33Å; S80-K84 WeakPolarHBondContact O-CG 3.41Å; S80-K84 PolarHBondContact O-N 3.27Å; N81-K84 PolarHBondContact O-N 3.5Å; K84-R87 PolarHBondContact O-N 3.44Å; K84-G88 PolarHBondContact O-N 2.84Å |
| 85 | L | 74.7 | Confident | 74.7 | Confident | 118 Ų | 118 | 98.6 Ų | 98.6 | 62% | 0.618 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.2 | -50.5 | 174.8 | -73.8 | 168.4 | 0 | 0 | 0 | 111 | N81 R82 R87 G88 E89 | N81-L85 WeakPolarHBondContact O-CG 3.47Å; N81-L85 PolarHBondContact O-N 2.91Å; R82-L85 PolarHBondContact O-N 3.45Å; L85-R87 VanDerWaalsContact C-N 3.28Å; L85-R87 PolarHBondContact O-N 3.46Å; L85-G88 WeakPolarHBondContact O-CA 3.4Å; L85-G88 PolarHBondContact O-N 3.32Å; L85-E89 WeakPolarHBondContact O-CG 3.28Å; L85-E89 PolarHBondContact O-N 3.35Å |
| 86 | M | 75.6 | Confident | 75.9 | Confident | 74 Ų | 74 | 96.2 Ų | 96.2 | 37% | 0.365 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.9 | -35.7 | 177.2 | -74.2 | -177.7 | 60.4 | 0 | 0 | 112.8 | R82 L83 N90 | R82-M86 HydrophobicContact CG-SD 4.37Å; R82-M86 WeakPolarHBondContact O-CB 3.37Å; R82-M86 WeakPolarHBondContact O-CG 3.36Å; R82-M86 PolarHBondContact O-N 3.48Å; L83-M86 PolarHBondContact O-N 3.49Å; M86-N90 WeakPolarHBondContact O-CB 3.41Å; M86-N90 PolarHBondContact O-N 2.97Å; M86-N90 PolarHBondContact O-ND2 3.25Å |
| 87 | R | 77.8 | Confident | 77.1 | Confident | 167 Ų | 167 | 97.5 Ų | 97.5 | 63% | 0.63 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -67.9 | -39.3 | 174.2 | -77.5 | 174.4 | 178.7 | -178.7 | 1.2 | 111.6 | L83 K84 L85 N90 L91 | L83-R87 WeakPolarHBondContact O-CB 3.47Å; L83-R87 WeakPolarHBondContact O-CG 3.38Å; L83-R87 PolarHBondContact O-N 2.83Å; K84-R87 PolarHBondContact O-N 3.44Å; L85-R87 VanDerWaalsContact C-N 3.28Å; L85-R87 PolarHBondContact O-N 3.46Å; R87-N90 PolarHBondContact O-N 3.41Å; R87-L91 WeakPolarHBondContact O-CB 3.42Å; R87-L91 PolarHBondContact O-N 2.99Å |
| 88 | G | 78.5 | Confident | 78.4 | Confident | 41 Ų | 41 | 99.9 Ų | 99.9 | 42% | 0.423 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64 | -46.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K84 L85 N90 L91 H92 | K84-G88 PolarHBondContact O-N 2.84Å; L85-G88 WeakPolarHBondContact O-CA 3.4Å; L85-G88 PolarHBondContact O-N 3.32Å; G88-N90 PolarHBondContact O-N 3.46Å; G88-L91 WeakPolarHBondContact O-CB 3.36Å; G88-L91 PolarHBondContact O-N 2.93Å; G88-H92 PolarHBondContact O-N 2.85Å |
| 89 | E | 81.4 | Confident | 79.3 | Confident | 122 Ų | 122 | 98 Ų | 98 | 57% | 0.57 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.5 | -42.8 | 174.7 | -71.8 | 175.2 | 174.2 | 0 | 0 | 111.7 | L85 L91 H92 L93 | L85-E89 WeakPolarHBondContact O-CG 3.28Å; L85-E89 PolarHBondContact O-N 3.35Å; E89-L91 VanDerWaalsContact C-N 3.33Å; E89-L91 PolarHBondContact O-N 3.45Å; E89-H92 PolarHBondContact O-N 3.31Å; E89-L93 WeakPolarHBondContact O-CB 3.32Å; E89-L93 WeakPolarHBondContact O-CG 3.35Å; E89-L93 PolarHBondContact O-N 3.23Å |
| 90 | N | 78.1 | Confident | 80.1 | Confident | 48 Ų | 48 | 99.4 Ų | 99.4 | 26% | 0.257 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.6 | -37.8 | 175.4 | -88.2 | -69.1 | 0 | 0 | 0 | 112.8 | M86 R87 G88 K94 | M86-N90 WeakPolarHBondContact O-CB 3.41Å; M86-N90 PolarHBondContact O-N 2.97Å; M86-N90 PolarHBondContact O-ND2 3.25Å; R87-N90 PolarHBondContact O-N 3.41Å; G88-N90 PolarHBondContact O-N 3.46Å; N90-K94 WeakPolarHBondContact O-CB 3.44Å; N90-K94 VanDerWaalsContact O-CG 3.28Å; N90-K94 WeakPolarHBondContact O-CG 3.27Å; N90-K94 PolarHBondContact O-N 2.91Å |
| 91 | L | 86 | Confident | 80.5 | Confident | 103 Ų | 103 | 102 Ų | 102 | 54% | 0.539 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.1 | -46.6 | 175.2 | -176.7 | 67.2 | 0 | 0 | 0 | 110.3 | R87 G88 E89 L93 K94 E95 | R87-L91 WeakPolarHBondContact O-CB 3.42Å; R87-L91 PolarHBondContact O-N 2.99Å; G88-L91 WeakPolarHBondContact O-CB 3.36Å; G88-L91 PolarHBondContact O-N 2.93Å; E89-L91 VanDerWaalsContact C-N 3.33Å; E89-L91 PolarHBondContact O-N 3.45Å; L91-L93 PolarHBondContact O-N 3.38Å; L91-K94 WeakPolarHBondContact O-CB 3.45Å; L91-K94 PolarHBondContact O-N 3.46Å; L91-E95 PolarHBondContact O-N 2.91Å |
| 92 | H | 84 | Confident | 81.1 | Confident | 121 Ų | 121 | 101.9 Ų | 101.9 | 56% | 0.56 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.3 | -45.6 | 177.7 | -176.9 | 57 | 0 | 0 | 0 | 112.5 | G88 E89 K94 E95 E96 | G88-H92 PolarHBondContact O-N 2.85Å; E89-H92 PolarHBondContact O-N 3.31Å; H92-K94 VanDerWaalsContact C-N 3.32Å; H92-K94 PolarHBondContact O-N 3.48Å; H92-E95 PolarHBondContact O-N 3.27Å; H92-E96 PolarHBondContact O-N 3.22Å |
| 93 | L | 84.5 | Confident | 81.3 | Confident | 81 Ų | 81 | 95.7 Ų | 95.7 | 42% | 0.424 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.8 | -37.4 | 175.9 | -72.9 | 171 | 0 | 0 | 0 | 112.3 | E89 L91 E96 I97 | E89-L93 WeakPolarHBondContact O-CB 3.32Å; E89-L93 WeakPolarHBondContact O-CG 3.35Å; E89-L93 PolarHBondContact O-N 3.23Å; L91-L93 PolarHBondContact O-N 3.38Å; L93-E96 PolarHBondContact O-N 2.96Å; L93-I97 VanDerWaalsContact O-CG1 3.27Å; L93-I97 WeakPolarHBondContact O-CG1 3.36Å; L93-I97 PolarHBondContact O-N 3.31Å |
| 94 | K | 85.1 | Confident | 81.8 | Confident | 146 Ų | 146 | 95.7 Ų | 95.7 | 64% | 0.635 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.8 | -42.2 | 175.3 | -79.6 | 177.1 | 178.7 | -175.2 | 0 | 112 | N90 L91 H92 I97 H98 | N90-K94 WeakPolarHBondContact O-CB 3.44Å; N90-K94 VanDerWaalsContact O-CG 3.28Å; N90-K94 WeakPolarHBondContact O-CG 3.27Å; N90-K94 PolarHBondContact O-N 2.91Å; L91-K94 WeakPolarHBondContact O-CB 3.45Å; L91-K94 PolarHBondContact O-N 3.46Å; H92-K94 VanDerWaalsContact C-N 3.32Å; H92-K94 PolarHBondContact O-N 3.48Å; K94-I97 PolarHBondContact O-N 2.85Å; K94-H98 WeakPolarHBondContact O-CB 3.41Å; K94-H98 PolarHBondContact O-N 3.49Å |
| 95 | E | 85.5 | Confident | 82 | Confident | 102 Ų | 102 | 94.3 Ų | 94.3 | 48% | 0.477 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 175.3 | -71.3 | 173.3 | 176.9 | 0 | 0 | 111.3 | L91 H92 I97 H98 N99 | L91-E95 PolarHBondContact O-N 2.91Å; H92-E95 PolarHBondContact O-N 3.27Å; E95-I97 PolarHBondContact O-N 3.42Å; E95-H98 PolarHBondContact O-N 3.35Å; E95-N99 PolarHBondContact O-N 3.44Å; E95-N99 PolarHBondContact O-ND2 2.85Å |
| 96 | E | 83.8 | Confident | 82.4 | Confident | 46 Ų | 46 | 96.2 Ų | 96.2 | 22% | 0.215 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -63 | -43 | 177.9 | -160.9 | -168.1 | -167.3 | 0 | 0 | 112 | H92 L93 H98 N99 R100 | H92-E96 PolarHBondContact O-N 3.22Å; L93-E96 PolarHBondContact O-N 2.96Å; E96-H98 VanDerWaalsContact C-N 3.35Å; E96-N99 PolarHBondContact O-N 3.32Å; E96-R100 WeakPolarHBondContact O-CG 3.29Å; E96-R100 PolarHBondContact O-N 2.89Å; E96-R100 IonicContact OE1-CZ 3.15Å; E96-R100 IonicContact OE1-NH1 3.38Å; E96-R100 PolarHBondContact OE1-NH1 3.09Å; E96-R100 IonicContact OE1-NH2 2.6Å; E96-R100 PolarHBondContact OE1-NH2 2.99Å; E96-R100 IonicContact OE2-CZ 3.53Å; E96-R100 IonicContact OE2-NH1 2.9Å; E96-R100 PolarHBondContact OE2-NH1 2.98Å; E96-R100 IonicContact OE2-NH2 3.53Å |
| 97 | I | 83.2 | Confident | 82.6 | Confident | 89 Ų | 89 | 93.6 Ų | 93.6 | 46% | 0.456 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 174.7 | -70.7 | 166.7 | 0 | 0 | 0 | 110.8 | L93 K94 E95 R100 Q101 | L93-I97 VanDerWaalsContact O-CG1 3.27Å; L93-I97 WeakPolarHBondContact O-CG1 3.36Å; L93-I97 PolarHBondContact O-N 3.31Å; K94-I97 PolarHBondContact O-N 2.85Å; E95-I97 PolarHBondContact O-N 3.42Å; I97-R100 PolarHBondContact O-N 3.39Å; I97-Q101 WeakPolarHBondContact O-CG 3.34Å; I97-Q101 PolarHBondContact O-N 2.87Å |
| 98 | H | 88.6 | Confident | 82.6 | Confident | 105 Ų | 105 | 89 Ų | 89 | 49% | 0.486 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 179.1 | -175.1 | 57.1 | 0 | 0 | 0 | 112 | K94 E95 E96 R100 Q101 I102 | K94-H98 WeakPolarHBondContact O-CB 3.41Å; K94-H98 PolarHBondContact O-N 3.49Å; E95-H98 PolarHBondContact O-N 3.35Å; E96-H98 VanDerWaalsContact C-N 3.35Å; H98-R100 VanDerWaalsContact C-N 3.33Å; H98-R100 PolarHBondContact O-N 3.11Å; H98-Q101 WeakPolarHBondContact O-CB 3.37Å; H98-Q101 PolarHBondContact O-N 3.36Å; H98-I102 WeakPolarHBondContact O-CG1 3.42Å; H98-I102 PolarHBondContact O-N 2.96Å; H98-I102 VanDerWaalsContact O-N 3.1Å |
| 99 | N | 82.6 | Confident | 82.7 | Confident | 96 Ų | 96 | 91.4 Ų | 91.4 | 51% | 0.513 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.6 | -40.1 | 176.6 | -70.5 | -22.8 | 0 | 0 | 0 | 112.1 | E95 E96 I102 A103 | E95-N99 PolarHBondContact O-N 3.44Å; E95-N99 PolarHBondContact O-ND2 2.85Å; E96-N99 PolarHBondContact O-N 3.32Å; N99-I102 PolarHBondContact O-N 3.43Å; N99-A103 PolarHBondContact O-N 3.41Å; N99-A103 VanDerWaalsContact O-N 3.12Å |
| 100 | R | 81.5 | Confident | 82.5 | Confident | 97 Ų | 97 | 87.4 Ų | 87.4 | 37% | 0.366 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 174.7 | -74.1 | 177.1 | 179.3 | 136.5 | -4.6 | 112.2 | E96 I97 H98 A103 I104 | E96-R100 WeakPolarHBondContact O-CG 3.29Å; E96-R100 PolarHBondContact O-N 2.89Å; E96-R100 IonicContact OE1-CZ 3.15Å; E96-R100 IonicContact OE1-NH1 3.38Å; E96-R100 PolarHBondContact OE1-NH1 3.09Å; E96-R100 IonicContact OE1-NH2 2.6Å; E96-R100 PolarHBondContact OE1-NH2 2.99Å; E96-R100 IonicContact OE2-CZ 3.53Å; E96-R100 IonicContact OE2-NH1 2.9Å; E96-R100 PolarHBondContact OE2-NH1 2.98Å; E96-R100 IonicContact OE2-NH2 3.53Å; I97-R100 PolarHBondContact O-N 3.39Å; H98-R100 VanDerWaalsContact C-N 3.33Å; H98-R100 PolarHBondContact O-N 3.11Å; R100-A103 PolarHBondContact O-N 2.79Å; R100-I104 WeakPolarHBondContact O-CG1 3.38Å; R100-I104 PolarHBondContact O-N 3.27Å |
| 101 | Q | 82.1 | Confident | 82.5 | Confident | 106 Ų | 106 | 87.3 Ų | 87.3 | 50% | 0.495 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 175.6 | -75.1 | 174 | -19.6 | 0 | 0 | 111.6 | I97 H98 A103 I104 D105 | I97-Q101 WeakPolarHBondContact O-CG 3.34Å; I97-Q101 PolarHBondContact O-N 2.87Å; H98-Q101 WeakPolarHBondContact O-CB 3.37Å; H98-Q101 PolarHBondContact O-N 3.36Å; Q101-A103 VanDerWaalsContact C-N 3.29Å; Q101-A103 PolarHBondContact O-N 3.46Å; Q101-I104 PolarHBondContact O-N 3.36Å; Q101-I104 VanDerWaalsContact O-N 3.17Å; Q101-D105 PolarHBondContact O-N 3.02Å |
| 102 | I | 86.2 | Confident | 82.1 | Confident | 92 Ų | 92 | 90.7 Ų | 90.7 | 47% | 0.472 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -57.5 | -43.1 | 175.9 | -65.8 | 168.2 | 0 | 0 | 0 | 111.1 | H98 N99 D105 Y106 | H98-I102 WeakPolarHBondContact O-CG1 3.42Å; H98-I102 PolarHBondContact O-N 2.96Å; H98-I102 VanDerWaalsContact O-N 3.1Å; N99-I102 PolarHBondContact O-N 3.43Å; I102-D105 PolarHBondContact O-N 2.82Å; I102-Y106 PolarHBondContact O-N 2.93Å |
| 103 | A | 79.2 | Confident | 81.7 | Confident | 50 Ų | 50 | 91.2 Ų | 91.2 | 41% | 0.413 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N99 R100 Q101 Y106 L107 | N99-A103 PolarHBondContact O-N 3.41Å; N99-A103 VanDerWaalsContact O-N 3.12Å; R100-A103 PolarHBondContact O-N 2.79Å; Q101-A103 VanDerWaalsContact C-N 3.29Å; Q101-A103 PolarHBondContact O-N 3.46Å; A103-Y106 PolarHBondContact O-N 3.26Å; A103-L107 WeakPolarHBondContact O-CG 3.49Å; A103-L107 PolarHBondContact O-N 3.02Å |
| 104 | I | 82.2 | Confident | 81.1 | Confident | 70 Ų | 70 | 89.1 Ų | 89.1 | 36% | 0.359 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.2 | -45.9 | 176.2 | -70 | 166.7 | 0 | 0 | 0 | 110.6 | R100 Q101 Y106 L107 M108 | R100-I104 WeakPolarHBondContact O-CG1 3.38Å; R100-I104 PolarHBondContact O-N 3.27Å; Q101-I104 PolarHBondContact O-N 3.36Å; Q101-I104 VanDerWaalsContact O-N 3.17Å; I104-Y106 VanDerWaalsContact C-N 3.29Å; I104-Y106 PolarHBondContact O-N 3.39Å; I104-L107 PolarHBondContact O-N 2.89Å; I104-M108 HydrophobicContact CG2-CG 4.24Å; I104-M108 WeakPolarHBondContact O-CB 3.36Å; I104-M108 WeakPolarHBondContact O-CG 3.39Å; I104-M108 PolarHBondContact O-N 3.37Å |
| 105 | D | 81.5 | Confident | 80.4 | Confident | 106 Ų | 106 | 85.1 Ų | 85.1 | 57% | 0.567 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61.6 | -39.2 | 179.2 | -73.5 | -21.6 | 0 | 0 | 0 | 111.8 | Q101 I102 M108 T109 | Q101-D105 PolarHBondContact O-N 3.02Å; I102-D105 PolarHBondContact O-N 2.82Å; D105-M108 PolarHBondContact O-N 3.02Å; D105-T109 WeakPolarHBondContact O-CB 3.32Å; D105-T109 PolarHBondContact O-N 2.91Å; D105-T109 PolarHBondContact O-OG1 3.4Å |
| 106 | Y | 82.8 | Confident | 79.7 | Confident | 158 Ų | 158 | 82.4 Ų | 82.4 | 62% | 0.62 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62 | -49 | 173.3 | 179.5 | -100.8 | 0 | 0 | 0 | 111.9 | I102 A103 I104 M108 T109 V110 | I102-Y106 PolarHBondContact O-N 2.93Å; A103-Y106 PolarHBondContact O-N 3.26Å; I104-Y106 VanDerWaalsContact C-N 3.29Å; I104-Y106 PolarHBondContact O-N 3.39Å; Y106-M108 VanDerWaalsContact C-N 3.34Å; Y106-M108 PolarHBondContact O-N 3.49Å; Y106-T109 WeakPolarHBondContact O-CB 3.35Å; Y106-T109 PolarHBondContact O-N 3.44Å; Y106-V110 HydrophobicContact CD1-CG2 4.42Å; Y106-V110 HydrophobicContact CE1-CG2 4.01Å; Y106-V110 HydrophobicContact CE2-CG2 4.45Å; Y106-V110 WeakPolarHBondContact O-CG2 3.29Å; Y106-V110 PolarHBondContact O-N 2.95Å |
| 107 | L | 79.2 | Confident | 78.9 | Confident | 20 Ų | 20 | 81.2 Ų | 81.2 | 11% | 0.105 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 178 | -73.5 | 171.3 | 0 | 0 | 0 | 112.1 | A103 I104 T109 V110 Y111 L147 L151 L169 | A103-L107 WeakPolarHBondContact O-CG 3.49Å; A103-L107 PolarHBondContact O-N 3.02Å; I104-L107 PolarHBondContact O-N 2.89Å; L107-T109 VanDerWaalsContact C-N 3.31Å; L107-T109 PolarHBondContact O-N 3.5Å; L107-V110 PolarHBondContact O-N 2.96Å; L107-Y111 VanDerWaalsContact O-CB 3.32Å; L107-Y111 WeakPolarHBondContact O-CB 3.45Å; L107-Y111 PolarHBondContact O-N 3.29Å; L107-L147 HydrophobicContact CD2-CD2 3.94Å; L107-L151 HydrophobicContact CB-CD2 3.92Å; L107-L151 HydrophobicContact CB-CG 4.5Å; L107-L151 HydrophobicContact CD1-CD2 3.64Å; L107-L151 HydrophobicContact CD1-CG 4.17Å; L107-L151 HydrophobicContact CG-CD2 4.42Å; L107-L169 HydrophobicContact CD2-CD1 4.11Å |
| 108 | M | 79.3 | Confident | 77.8 | Confident | 69 Ų | 69 | 78.5 Ų | 78.5 | 34% | 0.34 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64 | -37 | 175.7 | -74.8 | -58.9 | -64.2 | 0 | 0 | 112 | I104 D105 Y106 Y111 R112 | I104-M108 HydrophobicContact CG2-CG 4.24Å; I104-M108 WeakPolarHBondContact O-CB 3.36Å; I104-M108 WeakPolarHBondContact O-CG 3.39Å; I104-M108 PolarHBondContact O-N 3.37Å; D105-M108 PolarHBondContact O-N 3.02Å; Y106-M108 VanDerWaalsContact C-N 3.34Å; Y106-M108 PolarHBondContact O-N 3.49Å; M108-Y111 PolarHBondContact O-N 3.46Å; M108-R112 WeakPolarHBondContact O-CB 3.33Å; M108-R112 VanDerWaalsContact O-CG 3.28Å; M108-R112 WeakPolarHBondContact O-CG 3.34Å; M108-R112 PolarHBondContact O-N 2.9Å |
| 109 | T | 80.4 | Confident | 76.6 | Confident | 92 Ų | 92 | 79.8 Ų | 79.8 | 56% | 0.564 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -64.2 | -47.5 | 174.3 | -59.1 | 0 | 0 | 0 | 0 | 111.1 | D105 Y106 L107 Y111 R112 R113 | D105-T109 WeakPolarHBondContact O-CB 3.32Å; D105-T109 PolarHBondContact O-N 2.91Å; D105-T109 PolarHBondContact O-OG1 3.4Å; Y106-T109 WeakPolarHBondContact O-CB 3.35Å; Y106-T109 PolarHBondContact O-N 3.44Å; L107-T109 VanDerWaalsContact C-N 3.31Å; L107-T109 PolarHBondContact O-N 3.5Å; T109-Y111 VanDerWaalsContact C-N 3.33Å; T109-Y111 PolarHBondContact O-N 3.38Å; T109-R112 PolarHBondContact O-N 2.8Å; T109-R113 WeakPolarHBondContact O-CB 3.36Å; T109-R113 PolarHBondContact O-N 3.03Å |
| 110 | V | 77.2 | Confident | 75.7 | Confident | 39 Ų | 39 | 79.3 Ų | 79.3 | 24% | 0.236 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 175.6 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | Y106 L107 R113 N114 L147 | Y106-V110 HydrophobicContact CD1-CG2 4.42Å; Y106-V110 HydrophobicContact CE1-CG2 4.01Å; Y106-V110 HydrophobicContact CE2-CG2 4.45Å; Y106-V110 WeakPolarHBondContact O-CG2 3.29Å; Y106-V110 PolarHBondContact O-N 2.95Å; L107-V110 PolarHBondContact O-N 2.96Å; V110-R113 PolarHBondContact O-N 3.4Å; V110-N114 VanDerWaalsContact O-CG 3.27Å; V110-N114 PolarHBondContact O-N 2.92Å; V110-N114 PolarHBondContact O-ND2 3.19Å; V110-L147 HydrophobicContact CG1-CD1 4.08Å; V110-L147 HydrophobicContact CG1-CD2 4.15Å |
| 111 | Y | 76.9 | Confident | 74.5 | Confident | 46 Ų | 46 | 76.3 Ų | 76.3 | 18% | 0.18 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.9 | -48 | 178.8 | -177.4 | -104.5 | 0 | 0 | 0 | 112.2 | L23 L107 M108 T109 R113 N114 I115 | L23-Y111 WeakPolarHBondContact CD2-OH 3.3Å; L107-Y111 VanDerWaalsContact O-CB 3.32Å; L107-Y111 WeakPolarHBondContact O-CB 3.45Å; L107-Y111 PolarHBondContact O-N 3.29Å; M108-Y111 PolarHBondContact O-N 3.46Å; T109-Y111 VanDerWaalsContact C-N 3.33Å; T109-Y111 PolarHBondContact O-N 3.38Å; Y111-R113 VanDerWaalsContact C-N 3.33Å; Y111-R113 PolarHBondContact O-N 3.04Å; Y111-N114 PolarHBondContact O-N 3.45Å; Y111-I115 HydrophobicContact CD1-CD1 3.8Å; Y111-I115 HydrophobicContact CE1-CD1 3.24Å; Y111-I115 HydrophobicContact CE1-CG1 4.24Å; Y111-I115 HydrophobicContact CE2-CD1 4.41Å; Y111-I115 PolarHBondContact O-N 2.83Å |
| 112 | R | 78 | Confident | 73 | Confident | 174 Ų | 174 | 76.7 Ų | 76.7 | 66% | 0.657 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.4 | -41.7 | 176.2 | -74.6 | 177.4 | -176 | -165.5 | 3.5 | 112 | M108 T109 I115 S116 | M108-R112 WeakPolarHBondContact O-CB 3.33Å; M108-R112 VanDerWaalsContact O-CG 3.28Å; M108-R112 WeakPolarHBondContact O-CG 3.34Å; M108-R112 PolarHBondContact O-N 2.9Å; T109-R112 PolarHBondContact O-N 2.8Å; R112-I115 PolarHBondContact O-N 3.19Å; R112-S116 PolarHBondContact O-N 2.99Å |
| 113 | R | 75.5 | Confident | 71.1 | Confident | 132 Ų | 132 | 74.4 Ų | 74.4 | 50% | 0.498 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61 | -45.3 | 175.4 | -171.2 | 178.4 | -172.4 | 179.6 | 2.1 | 111.4 | T109 V110 Y111 I115 S116 I117 | T109-R113 WeakPolarHBondContact O-CB 3.36Å; T109-R113 PolarHBondContact O-N 3.03Å; V110-R113 PolarHBondContact O-N 3.4Å; Y111-R113 VanDerWaalsContact C-N 3.33Å; Y111-R113 PolarHBondContact O-N 3.04Å; R113-I115 VanDerWaalsContact C-N 3.33Å; R113-I115 PolarHBondContact O-N 3.43Å; R113-S116 WeakPolarHBondContact O-CB 3.45Å; R113-S116 PolarHBondContact O-N 3.38Å; R113-I117 HydrophobicContact CG-CD1 3.94Å; R113-I117 WeakPolarHBondContact O-CG1 3.44Å; R113-I117 PolarHBondContact O-N 3.3Å |
| 114 | N | 71.7 | Confident | 69.7 | Low | 37 Ų | 37 | 78.1 Ų | 78.1 | 20% | 0.198 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.5 | -36.7 | 178.3 | -71.1 | -27.1 | 0 | 0 | 0 | 112.6 | V110 Y111 S118 L143 L147 | V110-N114 VanDerWaalsContact O-CG 3.27Å; V110-N114 PolarHBondContact O-N 2.92Å; V110-N114 PolarHBondContact O-ND2 3.19Å; Y111-N114 PolarHBondContact O-N 3.45Å; N114-S118 VanDerWaalsContact O-CB 3.32Å; N114-S118 WeakPolarHBondContact O-CB 3.37Å; N114-S118 PolarHBondContact O-N 3.43Å; N114-S118 PolarHBondContact O-OG 2.82Å; N114-L143 VanDerWaalsContact ND2-CD2 3.27Å; N114-L143 WeakPolarHBondContact ND2-CD2 3.46Å; N114-L147 VanDerWaalsContact ND2-CD1 3.29Å; N114-L147 WeakPolarHBondContact ND2-CD1 3.46Å |
| 115 | I | 71.3 | Confident | 67.8 | Low | 62 Ų | 62 | 79 Ų | 79 | 32% | 0.318 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.2 | -48.8 | 171.3 | -71.9 | 175.8 | 0 | 0 | 0 | 110.5 | Y111 R112 R113 I117 S118 Q119 | Y111-I115 HydrophobicContact CD1-CD1 3.8Å; Y111-I115 HydrophobicContact CE1-CD1 3.24Å; Y111-I115 HydrophobicContact CE1-CG1 4.24Å; Y111-I115 HydrophobicContact CE2-CD1 4.41Å; Y111-I115 PolarHBondContact O-N 2.83Å; R112-I115 PolarHBondContact O-N 3.19Å; R113-I115 VanDerWaalsContact C-N 3.33Å; R113-I115 PolarHBondContact O-N 3.43Å; I115-I117 PolarHBondContact O-N 3.16Å; I115-S118 PolarHBondContact O-N 3.41Å; I115-Q119 HydrophobicContact CG2-CG 4.24Å; I115-Q119 WeakPolarHBondContact O-CB 3.44Å; I115-Q119 WeakPolarHBondContact O-CG 3.41Å; I115-Q119 PolarHBondContact O-N 3.49Å |
| 116 | S | 70.2 | Confident | 66.1 | Low | 45 Ų | 45 | 78.3 Ų | 78.3 | 32% | 0.315 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58 | -48.8 | 180 | -170.2 | 0 | 0 | 0 | 0 | 111.8 | R112 R113 S118 Q119 Q120 | R112-S116 PolarHBondContact O-N 2.99Å; R113-S116 WeakPolarHBondContact O-CB 3.45Å; R113-S116 PolarHBondContact O-N 3.38Å; S116-S118 VanDerWaalsContact C-N 3.32Å; S116-S118 PolarHBondContact O-N 3.3Å; S116-Q119 PolarHBondContact O-N 3.05Å; S116-Q120 WeakPolarHBondContact O-CG 3.45Å; S116-Q120 PolarHBondContact O-N 2.97Å |
| 117 | I | 66.7 | Low | 64.4 | Low | 20 Ų | 20 | 75.5 Ų | 75.5 | 10% | 0.103 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 176.7 | -67.3 | 167.9 | 0 | 0 | 0 | 110.6 | R113 I115 Q119 Q120 Q121 | R113-I117 HydrophobicContact CG-CD1 3.94Å; R113-I117 WeakPolarHBondContact O-CG1 3.44Å; R113-I117 PolarHBondContact O-N 3.3Å; I115-I117 PolarHBondContact O-N 3.16Å; I117-Q119 PolarHBondContact O-N 3.22Å; I117-Q120 PolarHBondContact O-N 2.95Å; I117-Q121 HydrophobicContact CG2-CG 4.44Å; I117-Q121 WeakPolarHBondContact O-CB 3.4Å; I117-Q121 VanDerWaalsContact O-CG 3.3Å; I117-Q121 WeakPolarHBondContact O-CG 3.24Å; I117-Q121 PolarHBondContact O-N 3.34Å |
| 118 | S | 61.2 | Low | 62.6 | Low | 33 Ų | 33 | 81.2 Ų | 81.2 | 23% | 0.231 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -63 | -43.2 | 178.4 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | N114 I115 S116 Q121 F122 | N114-S118 VanDerWaalsContact O-CB 3.32Å; N114-S118 WeakPolarHBondContact O-CB 3.37Å; N114-S118 PolarHBondContact O-N 3.43Å; N114-S118 PolarHBondContact O-OG 2.82Å; I115-S118 PolarHBondContact O-N 3.41Å; S116-S118 VanDerWaalsContact C-N 3.32Å; S116-S118 PolarHBondContact O-N 3.3Å; S118-Q121 PolarHBondContact O-N 3.31Å; S118-F122 WeakPolarHBondContact O-CB 3.46Å; S118-F122 VanDerWaalsContact O-CD2 3.3Å; S118-F122 WeakPolarHBondContact O-CD2 3.45Å; S118-F122 PolarHBondContact O-N 3.35Å |
| 119 | Q | 62.9 | Low | 60.6 | Low | 131 Ų | 131 | 83.1 Ų | 83.1 | 61% | 0.612 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -64.6 | -41.4 | 177.6 | -73.7 | 176.7 | -12.3 | 0 | 0 | 112.5 | I115 S116 I117 F122 G123 | I115-Q119 HydrophobicContact CG2-CG 4.24Å; I115-Q119 WeakPolarHBondContact O-CB 3.44Å; I115-Q119 WeakPolarHBondContact O-CG 3.41Å; I115-Q119 PolarHBondContact O-N 3.49Å; S116-Q119 PolarHBondContact O-N 3.05Å; I117-Q119 PolarHBondContact O-N 3.22Å; Q119-F122 PolarHBondContact O-N 2.9Å; Q119-G123 PolarHBondContact O-N 3.35Å |
| 120 | Q | 63.6 | Low | 58.9 | Low | 86 Ų | 86 | 83.7 Ų | 83.7 | 40% | 0.402 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 174.2 | -75.3 | 176.1 | -7 | 0 | 0 | 111.8 | S116 I117 F122 G123 Q124 E190 | S116-Q120 WeakPolarHBondContact O-CG 3.45Å; S116-Q120 PolarHBondContact O-N 2.97Å; I117-Q120 PolarHBondContact O-N 2.95Å; Q120-F122 VanDerWaalsContact C-N 3.32Å; Q120-F122 PolarHBondContact O-N 3.21Å; Q120-G123 PolarHBondContact O-N 3.43Å; Q120-Q124 WeakPolarHBondContact O-CB 3.45Å; Q120-Q124 WeakPolarHBondContact O-CG 3.34Å; Q120-Q124 PolarHBondContact O-N 3.47Å; Q120-E190 PolarHBondContact NE2-OE1 3.43Å |
| 121 | Q | 55.7 | Low | 57.1 | Low | 35 Ų | 35 | 91.1 Ų | 91.1 | 16% | 0.164 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -62.9 | -38.4 | 176.7 | -73.5 | 177.7 | -3.4 | 0 | 0 | 112 | I117 S118 Q125 | I117-Q121 HydrophobicContact CG2-CG 4.44Å; I117-Q121 WeakPolarHBondContact O-CB 3.4Å; I117-Q121 VanDerWaalsContact O-CG 3.3Å; I117-Q121 WeakPolarHBondContact O-CG 3.24Å; I117-Q121 PolarHBondContact O-N 3.34Å; S118-Q121 PolarHBondContact O-N 3.31Å; Q121-Q125 WeakPolarHBondContact O-CB 3.32Å; Q121-Q125 VanDerWaalsContact O-CG 3.23Å; Q121-Q125 WeakPolarHBondContact O-CG 3.36Å; Q121-Q125 PolarHBondContact O-N 2.95Å; Q121-Q125 VanDerWaalsContact O-N 3.08Å |
| 122 | F | 50.6 | Low | 55.4 | Low | 114 Ų | 114 | 97.5 Ų | 97.5 | 50% | 0.5 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.4 | -41.2 | 173 | -93.9 | -76.5 | 0 | 0 | 0 | 112.4 | S118 Q119 Q120 Q125 A126 | S118-F122 WeakPolarHBondContact O-CB 3.46Å; S118-F122 VanDerWaalsContact O-CD2 3.3Å; S118-F122 WeakPolarHBondContact O-CD2 3.45Å; S118-F122 PolarHBondContact O-N 3.35Å; Q119-F122 PolarHBondContact O-N 2.9Å; Q120-F122 VanDerWaalsContact C-N 3.32Å; Q120-F122 PolarHBondContact O-N 3.21Å; F122-Q125 PolarHBondContact O-N 3.48Å; F122-A126 PolarHBondContact O-N 2.93Å |
| 123 | G | 47.5 | Very low | 54.2 | Low | 44 Ų | 44 | 91.1 Ų | 91.1 | 45% | 0.454 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.2 | -37.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q119 Q120 | Q119-G123 PolarHBondContact O-N 3.35Å; Q120-G123 PolarHBondContact O-N 3.43Å |
| 124 | Q | 48.4 | Very low | 53.1 | Low | 127 Ų | 127 | 88.7 Ų | 88.7 | 59% | 0.593 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -70.8 | -38.1 | 174.6 | -74.5 | 179.2 | -5.6 | 0 | 0 | 112 | Q120 A126 S127 | Q120-Q124 WeakPolarHBondContact O-CB 3.45Å; Q120-Q124 WeakPolarHBondContact O-CG 3.34Å; Q120-Q124 PolarHBondContact O-N 3.47Å; Q124-A126 VanDerWaalsContact C-N 3.27Å; Q124-A126 PolarHBondContact O-N 3.45Å; Q124-S127 PolarHBondContact O-N 3Å; Q124-S127 VanDerWaalsContact O-N 3.16Å |
| 125 | Q | 42.4 | Very low | 51.7 | Low | 90 Ų | 90 | 93.6 Ų | 93.6 | 42% | 0.421 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.6 | -20.5 | 177.4 | -75.5 | 173 | 26.2 | 0 | 0 | 114 | Q121 F122 S127 | Q121-Q125 WeakPolarHBondContact O-CB 3.32Å; Q121-Q125 VanDerWaalsContact O-CG 3.23Å; Q121-Q125 WeakPolarHBondContact O-CG 3.36Å; Q121-Q125 PolarHBondContact O-N 2.95Å; Q121-Q125 VanDerWaalsContact O-N 3.08Å; F122-Q125 PolarHBondContact O-N 3.48Å; Q125-S127 PolarHBondContact O-N 2.96Å |
| 126 | A | 47 | Very low | 50.4 | Low | 90 Ų | 90 | 91.7 Ų | 91.7 | 74% | 0.744 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -13.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | F122 Q124 | F122-A126 PolarHBondContact O-N 2.93Å; Q124-A126 VanDerWaalsContact C-N 3.27Å; Q124-A126 PolarHBondContact O-N 3.45Å |
| 127 | S | 47.8 | Very low | 49.5 | Very low | 100 Ų | 100 | 92.3 Ų | 92.3 | 70% | 0.699 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | -13 | -173.3 | -52.6 | 0 | 0 | 0 | 0 | 114.2 | Q124 Q125 | Q124-S127 PolarHBondContact O-N 3Å; Q124-S127 VanDerWaalsContact O-N 3.16Å; Q125-S127 PolarHBondContact O-N 2.96Å |
| 128 | E | 40.3 | Very low | 48.7 | Very low | 139 Ų | 139 | 98.2 Ų | 98.2 | 65% | 0.65 | 53% | 0.53 | S | S | * | . | trans | -138.3 | 127.8 | -179.1 | -70.6 | -169.3 | 160.6 | 0 | 0 | 112.3 | V130 | E128-V130 HydrophobicContact CB-CG2 4.4Å; E128-V130 PolarHBondContact O-N 3.1Å | ||
| 129 | P | 38.1 | Very low | 47.9 | Very low | 110 Ų | 110 | 97.3 Ų | 97.3 | 71% | 0.714 | 52% | 0.524 | S | S | * | . | trans | -81.3 | 84.7 | 176.4 | 34.2 | -29.9 | 0 | 0 | 0 | 108.4 | ||||
| 130 | V | 43.1 | Very low | 47.5 | Very low | 104 Ų | 104 | 92.5 Ų | 92.5 | 63% | 0.63 | 50% | 0.504 | S | S | * | . | trans | -125.2 | 112.9 | 172 | -173.2 | 0 | 0 | 0 | 0 | 109.6 | E128 K132 | E128-V130 HydrophobicContact CB-CG2 4.4Å; E128-V130 PolarHBondContact O-N 3.1Å; V130-K132 VanDerWaalsContact C-N 3.28Å; V130-K132 PolarHBondContact O-N 3.39Å | ||
| 131 | E | 40.1 | Very low | 47.1 | Very low | 194 Ų | 194 | 91 Ų | 91 | 91% | 0.907 | 50% | 0.503 | S | S | * | . | trans | -56.5 | 82.8 | 169.4 | -69.1 | -178.4 | 137.9 | 0 | 0 | 111.2 | ||||
| 132 | K | 42.4 | Very low | 47.2 | Very low | 181 Ų | 181 | 91.2 Ų | 91.2 | 79% | 0.787 | 51% | 0.511 | S | S | * | . | trans | -179.4 | 100 | 159.6 | -107.2 | 163.4 | -177.6 | 177.8 | 0 | 110.7 | V130 | V130-K132 VanDerWaalsContact C-N 3.28Å; V130-K132 PolarHBondContact O-N 3.39Å | ||
| 133 | P | 50.9 | Low | 47.9 | Very low | 40 Ų | 40 | 86.4 Ų | 86.4 | 26% | 0.26 | 49% | 0.49 | S | S | . | . | trans | -153.9 | 30.4 | 133.2 | 31.5 | -8.1 | 0 | 0 | 0 | 114.4 | Q135 L136 S137 | P133-Q135 PolarHBondContact O-N 3.34Å; P133-L136 HydrophobicContact CB-CB 4.38Å; P133-L136 PolarHBondContact O-N 3.17Å; P133-S137 PolarHBondContact O-N 2.97Å | ||
| 134 | S | 54 | Low | 48.6 | Very low | 81 Ų | 81 | 85.2 Ų | 85.2 | 57% | 0.566 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.5 | -20 | -177.7 | 72.7 | 0 | 0 | 0 | 0 | 114.2 | K138 | S134-K138 WeakPolarHBondContact O-CB 3.41Å; S134-K138 WeakPolarHBondContact O-CD 3.4Å; S134-K138 WeakPolarHBondContact O-CE 3.47Å; S134-K138 WeakPolarHBondContact O-CG 3.35Å |
| 135 | Q | 41.4 | Very low | 49.2 | Very low | 139 Ų | 139 | 82.1 Ų | 82.1 | 65% | 0.65 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -92.8 | -33.5 | 176.2 | -64.8 | -164.5 | 1.5 | 0 | 0 | 113.6 | P133 C139 | P133-Q135 PolarHBondContact O-N 3.34Å; Q135-C139 VanDerWaalsContact O-CB 3.29Å; Q135-C139 WeakPolarHBondContact O-CB 3.27Å; Q135-C139 PolarHBondContact O-N 3.02Å |
| 136 | L | 45.2 | Very low | 50.3 | Low | 22 Ų | 22 | 79.1 Ų | 79.1 | 12% | 0.115 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -69.6 | -45.2 | 175.6 | -90.3 | 168.1 | 0 | 0 | 0 | 111 | P133 K138 C139 C140 L183 L185 | P133-L136 HydrophobicContact CB-CB 4.38Å; P133-L136 PolarHBondContact O-N 3.17Å; L136-K138 VanDerWaalsContact C-N 3.32Å; L136-K138 PolarHBondContact O-N 3.31Å; L136-C139 WeakPolarHBondContact O-CB 3.49Å; L136-C139 PolarHBondContact O-N 3.28Å; L136-C140 PolarHBondContact O-N 2.6Å; L136-C140 PolarHBondContact O-SG 2.67Å; L136-L183 HydrophobicContact CD1-CD1 3.46Å; L136-L183 VanDerWaalsContact CD1-CD1 3.46Å; L136-L183 HydrophobicContact CD2-CD1 3.85Å; L136-L183 HydrophobicContact CG-CD1 3.41Å; L136-L183 VanDerWaalsContact CG-CD1 3.41Å; L136-L185 HydrophobicContact CD1-CD1 3.93Å |
| 137 | S | 49.8 | Very low | 51.2 | Low | 59 Ų | 59 | 75 Ų | 75 | 41% | 0.413 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59 | -45.6 | 175.1 | 123.5 | 0 | 0 | 0 | 0 | 110.6 | P133 C139 C140 S141 | P133-S137 PolarHBondContact O-N 2.97Å; S137-C139 VanDerWaalsContact C-N 3.3Å; S137-C139 PolarHBondContact O-N 3.12Å; S137-C140 PolarHBondContact O-N 3.38Å; S137-S141 WeakPolarHBondContact O-CB 3.42Å; S137-S141 PolarHBondContact O-N 3.43Å; S137-S141 PolarHBondContact O-OG 2.94Å; S137-S141 VanDerWaalsContact O-OG 3.1Å |
| 138 | K | 50.6 | Low | 52.1 | Low | 144 Ų | 144 | 73.1 Ų | 73.1 | 63% | 0.626 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -60.5 | -37.4 | 174 | -75.6 | 176.9 | -169.5 | 179.7 | 0 | 112.8 | S134 L136 A142 | S134-K138 WeakPolarHBondContact O-CB 3.41Å; S134-K138 WeakPolarHBondContact O-CD 3.4Å; S134-K138 WeakPolarHBondContact O-CE 3.47Å; S134-K138 WeakPolarHBondContact O-CG 3.35Å; L136-K138 VanDerWaalsContact C-N 3.32Å; L136-K138 PolarHBondContact O-N 3.31Å; K138-A142 WeakPolarHBondContact O-CB 3.36Å; K138-A142 PolarHBondContact O-N 3.04Å |
| 139 | C | 45 | Very low | 53.3 | Low | 14 Ų | 14 | 70.4 Ų | 70.4 | 10% | 0.095 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -70 | -42.1 | 178.6 | -165.6 | 0 | 0 | 0 | 0 | 111.6 | Q135 L136 S137 A142 L143 N176 L179 | Q135-C139 VanDerWaalsContact O-CB 3.29Å; Q135-C139 WeakPolarHBondContact O-CB 3.27Å; Q135-C139 PolarHBondContact O-N 3.02Å; L136-C139 WeakPolarHBondContact O-CB 3.49Å; L136-C139 PolarHBondContact O-N 3.28Å; S137-C139 VanDerWaalsContact C-N 3.3Å; S137-C139 PolarHBondContact O-N 3.12Å; C139-A142 PolarHBondContact O-N 3.37Å; C139-L143 WeakPolarHBondContact O-CB 3.37Å; C139-L143 PolarHBondContact O-N 3.23Å; C139-N176 PolarHBondContact SG-ND2 3.33Å; C139-N176 VanDerWaalsContact SG-ND2 3.35Å; C139-L179 HydrophobicContact CB-CD1 4.23Å |
| 140 | C | 53.6 | Low | 54.5 | Low | 29 Ų | 29 | 65.3 Ų | 65.3 | 20% | 0.196 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67 | -43.7 | 176.6 | -64.7 | 0 | 0 | 0 | 0 | 111.8 | L136 S137 A142 L143 G144 | L136-C140 PolarHBondContact O-N 2.6Å; L136-C140 PolarHBondContact O-SG 2.67Å; S137-C140 PolarHBondContact O-N 3.38Å; C140-A142 VanDerWaalsContact C-N 3.34Å; C140-A142 PolarHBondContact O-N 2.9Å; C140-L143 PolarHBondContact O-N 2.88Å; C140-G144 PolarHBondContact O-N 3.09Å |
| 141 | S | 56.1 | Low | 55.5 | Low | 55 Ų | 55 | 61.5 Ų | 61.5 | 39% | 0.385 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64 | -38.9 | 174.2 | -57.8 | 0 | 0 | 0 | 0 | 111.9 | S137 S145 | S137-S141 WeakPolarHBondContact O-CB 3.42Å; S137-S141 PolarHBondContact O-N 3.43Å; S137-S141 PolarHBondContact O-OG 2.94Å; S137-S141 VanDerWaalsContact O-OG 3.1Å; S141-S145 WeakPolarHBondContact O-CB 3.39Å; S141-S145 PolarHBondContact O-N 3.43Å |
| 142 | A | 56.9 | Low | 56.5 | Low | 39 Ų | 39 | 55.9 Ų | 55.9 | 32% | 0.322 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65 | -44.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K138 C139 C140 S145 T146 M172 | K138-A142 WeakPolarHBondContact O-CB 3.36Å; K138-A142 PolarHBondContact O-N 3.04Å; C139-A142 PolarHBondContact O-N 3.37Å; C140-A142 VanDerWaalsContact C-N 3.34Å; C140-A142 PolarHBondContact O-N 2.9Å; A142-S145 PolarHBondContact O-N 3.42Å; A142-T146 WeakPolarHBondContact O-CB 3.28Å; A142-T146 PolarHBondContact O-N 3.04Å; A142-T146 PolarHBondContact O-OG1 3.09Å; A142-M172 HydrophobicContact CB-CE 3.8Å |
| 143 | L | 64.6 | Low | 57.3 | Low | 13 Ų | 13 | 48.6 Ų | 48.6 | 7% | 0.068 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62 | -44.1 | 176.9 | -169.1 | 80.4 | 0 | 0 | 0 | 111.4 | N114 C139 C140 T146 L147 M172 | N114-L143 VanDerWaalsContact ND2-CD2 3.27Å; N114-L143 WeakPolarHBondContact ND2-CD2 3.46Å; C139-L143 WeakPolarHBondContact O-CB 3.37Å; C139-L143 PolarHBondContact O-N 3.23Å; C140-L143 PolarHBondContact O-N 2.88Å; L143-T146 PolarHBondContact O-N 2.96Å; L143-L147 HydrophobicContact CG-CD1 4.26Å; L143-L147 WeakPolarHBondContact O-CB 3.46Å; L143-L147 WeakPolarHBondContact O-CG 3.43Å; L143-L147 PolarHBondContact O-N 2.87Å; L143-M172 HydrophobicContact CD1-CB 3.93Å |
| 144 | G | 64 | Low | 57.7 | Low | 19 Ų | 19 | 48.9 Ų | 48.9 | 20% | 0.196 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | C140 L147 L148 | C140-G144 PolarHBondContact O-N 3.09Å; G144-L147 PolarHBondContact O-N 3.44Å; G144-L148 WeakPolarHBondContact O-CB 3.41Å; G144-L148 WeakPolarHBondContact O-CG 3.46Å; G144-L148 PolarHBondContact O-N 3.21Å |
| 145 | S | 60.5 | Low | 58.1 | Low | 62 Ų | 62 | 49.8 Ų | 49.8 | 43% | 0.434 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.1 | -41 | 174.7 | -175.7 | 0 | 0 | 0 | 0 | 112.2 | S141 A142 L148 N149 | S141-S145 WeakPolarHBondContact O-CB 3.39Å; S141-S145 PolarHBondContact O-N 3.43Å; A142-S145 PolarHBondContact O-N 3.42Å; S145-L148 PolarHBondContact O-N 3.24Å; S145-N149 WeakPolarHBondContact O-CB 3.4Å; S145-N149 VanDerWaalsContact O-CG 3.22Å; S145-N149 PolarHBondContact O-N 3.49Å; S145-N149 PolarHBondContact O-ND2 3.2Å |
| 146 | T | 66 | Low | 58.7 | Low | 27 Ų | 27 | 50.7 Ų | 50.7 | 17% | 0.166 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.4 | -42.1 | 176.7 | -60 | 0 | 0 | 0 | 0 | 111.2 | A142 L143 N149 S150 L169 M172 | A142-T146 WeakPolarHBondContact O-CB 3.28Å; A142-T146 PolarHBondContact O-N 3.04Å; A142-T146 PolarHBondContact O-OG1 3.09Å; L143-T146 PolarHBondContact O-N 2.96Å; T146-N149 PolarHBondContact O-N 3.43Å; T146-S150 WeakPolarHBondContact O-CB 3.45Å; T146-S150 PolarHBondContact O-N 3.39Å; T146-S150 PolarHBondContact O-OG 3.48Å; T146-L169 HydrophobicContact CG2-CD2 4.03Å; T146-L169 HydrophobicContact CG2-CG 4.31Å; T146-M172 HydrophobicContact CG2-CG 4.49Å |
| 147 | L | 65.9 | Low | 59 | Low | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.6 | -44.7 | 175 | -79.4 | 163.8 | 0 | 0 | 0 | 112 | L107 V110 N114 L143 G144 S150 L151 L169 | L107-L147 HydrophobicContact CD2-CD2 3.94Å; V110-L147 HydrophobicContact CG1-CD1 4.08Å; V110-L147 HydrophobicContact CG1-CD2 4.15Å; N114-L147 VanDerWaalsContact ND2-CD1 3.29Å; N114-L147 WeakPolarHBondContact ND2-CD1 3.46Å; L143-L147 HydrophobicContact CG-CD1 4.26Å; L143-L147 WeakPolarHBondContact O-CB 3.46Å; L143-L147 WeakPolarHBondContact O-CG 3.43Å; L143-L147 PolarHBondContact O-N 2.87Å; G144-L147 PolarHBondContact O-N 3.44Å; L147-S150 PolarHBondContact O-N 2.97Å; L147-L151 WeakPolarHBondContact O-CB 3.36Å; L147-L151 WeakPolarHBondContact O-CG 3.47Å; L147-L151 PolarHBondContact O-N 2.94Å; L147-L169 HydrophobicContact CD2-CD1 4.38Å; L147-L169 HydrophobicContact CD2-CD2 3.4Å; L147-L169 VanDerWaalsContact CD2-CD2 3.4Å; L147-L169 HydrophobicContact CG-CD2 3.69Å |
| 148 | L | 66.2 | Low | 58.9 | Low | 60 Ų | 60 | 51.4 Ų | 51.4 | 31% | 0.314 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 176.4 | -78.7 | 167.5 | 0 | 0 | 0 | 112 | G144 S145 L151 N152 | G144-L148 WeakPolarHBondContact O-CB 3.41Å; G144-L148 WeakPolarHBondContact O-CG 3.46Å; G144-L148 PolarHBondContact O-N 3.21Å; S145-L148 PolarHBondContact O-N 3.24Å; L148-L151 PolarHBondContact O-N 3Å; L148-N152 WeakPolarHBondContact O-CB 3.48Å; L148-N152 VanDerWaalsContact O-CG 3.3Å; L148-N152 PolarHBondContact O-N 3.49Å; L148-N152 PolarHBondContact O-ND2 3.27Å |
| 149 | N | 65.3 | Low | 59 | Low | 83 Ų | 83 | 50.9 Ų | 50.9 | 44% | 0.444 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 175.1 | -72.1 | -12.5 | 0 | 0 | 0 | 111.2 | S145 T146 L151 N152 V153 | S145-N149 WeakPolarHBondContact O-CB 3.4Å; S145-N149 VanDerWaalsContact O-CG 3.22Å; S145-N149 PolarHBondContact O-N 3.49Å; S145-N149 PolarHBondContact O-ND2 3.2Å; T146-N149 PolarHBondContact O-N 3.43Å; N149-L151 VanDerWaalsContact C-N 3.33Å; N149-L151 PolarHBondContact O-N 3.26Å; N149-N152 PolarHBondContact O-N 3.04Å; N149-V153 WeakPolarHBondContact O-CB 3.33Å; N149-V153 VanDerWaalsContact O-CG2 3.29Å; N149-V153 WeakPolarHBondContact O-CG2 3.33Å; N149-V153 PolarHBondContact O-N 3.41Å |
| 150 | S | 62.4 | Low | 59.5 | Low | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.014 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 176.7 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | T146 L147 V153 C154 L169 | T146-S150 WeakPolarHBondContact O-CB 3.45Å; T146-S150 PolarHBondContact O-N 3.39Å; T146-S150 PolarHBondContact O-OG 3.48Å; L147-S150 PolarHBondContact O-N 2.97Å; S150-V153 PolarHBondContact O-N 3.45Å; S150-C154 VanDerWaalsContact O-CB 3.32Å; S150-C154 WeakPolarHBondContact O-CB 3.5Å; S150-C154 PolarHBondContact O-N 3.29Å; S150-C154 PolarHBondContact O-SG 3.4Å; S150-L169 WeakPolarHBondContact OG-CD1 3.5Å |
| 151 | L | 64.4 | Low | 59.4 | Low | 25 Ų | 25 | 62.9 Ų | 62.9 | 13% | 0.131 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63 | -46.6 | 174.9 | -79.8 | 163.9 | 0 | 0 | 0 | 111.7 | L107 L147 L148 N149 V153 C154 L155 | L107-L151 HydrophobicContact CB-CD2 3.92Å; L107-L151 HydrophobicContact CB-CG 4.5Å; L107-L151 HydrophobicContact CD1-CD2 3.64Å; L107-L151 HydrophobicContact CD1-CG 4.17Å; L107-L151 HydrophobicContact CG-CD2 4.42Å; L147-L151 WeakPolarHBondContact O-CB 3.36Å; L147-L151 WeakPolarHBondContact O-CG 3.47Å; L147-L151 PolarHBondContact O-N 2.94Å; L148-L151 PolarHBondContact O-N 3Å; N149-L151 VanDerWaalsContact C-N 3.33Å; N149-L151 PolarHBondContact O-N 3.26Å; L151-V153 VanDerWaalsContact C-N 3.35Å; L151-V153 PolarHBondContact O-N 3.28Å; L151-C154 PolarHBondContact O-N 3.12Å; L151-L155 VanDerWaalsContact O-CG 3.27Å; L151-L155 WeakPolarHBondContact O-CG 3.22Å; L151-L155 PolarHBondContact O-N 3.34Å |
| 152 | N | 61.5 | Low | 59.3 | Low | 75 Ų | 75 | 62.2 Ų | 62.2 | 40% | 0.401 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 177.7 | -73.5 | -24.9 | 0 | 0 | 0 | 111.7 | L148 N149 L155 E156 | L148-N152 WeakPolarHBondContact O-CB 3.48Å; L148-N152 VanDerWaalsContact O-CG 3.3Å; L148-N152 PolarHBondContact O-N 3.49Å; L148-N152 PolarHBondContact O-ND2 3.27Å; N149-N152 PolarHBondContact O-N 3.04Å; N152-L155 PolarHBondContact O-N 3.05Å; N152-E156 WeakPolarHBondContact O-CB 3.22Å; N152-E156 WeakPolarHBondContact O-CG 3.32Å; N152-E156 PolarHBondContact O-N 2.83Å |
| 153 | V | 58.1 | Low | 59.5 | Low | 28 Ų | 28 | 65.5 Ų | 65.5 | 17% | 0.17 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67.2 | -40.4 | 177.5 | 171.8 | 0 | 0 | 0 | 0 | 111.6 | N149 S150 L151 L155 E156 V157 Q161 E165 | N149-V153 WeakPolarHBondContact O-CB 3.33Å; N149-V153 VanDerWaalsContact O-CG2 3.29Å; N149-V153 WeakPolarHBondContact O-CG2 3.33Å; N149-V153 PolarHBondContact O-N 3.41Å; S150-V153 PolarHBondContact O-N 3.45Å; L151-V153 VanDerWaalsContact C-N 3.35Å; L151-V153 PolarHBondContact O-N 3.28Å; V153-L155 PolarHBondContact O-N 3.39Å; V153-E156 PolarHBondContact O-N 2.92Å; V153-V157 HydrophobicContact CG1-CG2 4.49Å; V153-V157 PolarHBondContact O-N 3.21Å; V153-Q161 HydrophobicContact CG1-CB 3.56Å; V153-E165 HydrophobicContact CG1-CG 4.44Å |
| 154 | C | 60.5 | Low | 59.5 | Low | 47 Ų | 47 | 67.3 Ų | 67.3 | 32% | 0.318 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.8 | -35 | 173.4 | -77.6 | 0 | 0 | 0 | 0 | 112.3 | S150 L151 | S150-C154 VanDerWaalsContact O-CB 3.32Å; S150-C154 WeakPolarHBondContact O-CB 3.5Å; S150-C154 PolarHBondContact O-N 3.29Å; S150-C154 PolarHBondContact O-SG 3.4Å; L151-C154 PolarHBondContact O-N 3.12Å |
| 155 | L | 61.1 | Low | 59.4 | Low | 99 Ų | 99 | 68.7 Ų | 68.7 | 52% | 0.518 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -77.2 | -36.2 | 176.2 | -69.7 | 170.8 | 0 | 0 | 0 | 112.7 | L151 N152 V153 | L151-L155 VanDerWaalsContact O-CG 3.27Å; L151-L155 WeakPolarHBondContact O-CG 3.22Å; L151-L155 PolarHBondContact O-N 3.34Å; N152-L155 PolarHBondContact O-N 3.05Å; V153-L155 PolarHBondContact O-N 3.39Å |
| 156 | E | 55.9 | Low | 59.6 | Low | 159 Ų | 159 | 69.7 Ų | 69.7 | 74% | 0.743 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -84.8 | -35.7 | -174.4 | -77.3 | -178.1 | 172.9 | 0 | 0 | 114.2 | N152 V153 | N152-E156 WeakPolarHBondContact O-CB 3.22Å; N152-E156 WeakPolarHBondContact O-CG 3.32Å; N152-E156 PolarHBondContact O-N 2.83Å; V153-E156 PolarHBondContact O-N 2.92Å |
| 157 | V | 49.9 | Very low | 59.9 | Low | 73 Ų | 73 | 73.9 Ų | 73.9 | 44% | 0.442 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -127.9 | -6.3 | -157.5 | -154.5 | 0 | 0 | 0 | 0 | 115.5 | V153 Q161 | V153-V157 HydrophobicContact CG1-CG2 4.49Å; V153-V157 PolarHBondContact O-N 3.21Å; V157-Q161 HydrophobicContact CG1-CG 4.34Å |
| 158 | G | 49 | Very low | 60 | Low | 22 Ų | 22 | 77.6 Ų | 77.6 | 23% | 0.227 | 41% | 0.408 | C | S | . | . | trans | 65 | 175.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | K160 Q161 | G158-K160 PolarHBondContact O-N 3.48Å; G158-Q161 PolarHBondContact O-N 3.48Å | ||
| 159 | E | 51.9 | Low | 60.1 | Low | 133 Ų | 133 | 75.9 Ų | 75.9 | 62% | 0.621 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -41 | -35 | -159.9 | -81.9 | -174.7 | 145.5 | 0 | 0 | 117.7 | Q161 S162 | E159-Q161 VanDerWaalsContact C-N 3.35Å; E159-Q161 PolarHBondContact O-N 2.95Å; E159-S162 PolarHBondContact O-N 3.45Å; E159-S162 VanDerWaalsContact O-N 3.16Å; E159-S162 PolarHBondContact O-OG 2.84Å |
| 160 | K | 56.2 | Low | 60.5 | Low | 199 Ų | 199 | 77.4 Ų | 77.4 | 87% | 0.865 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -67 | -28.1 | -168.2 | -71.4 | -174 | 178.6 | 178.8 | 0 | 114.8 | G158 | G158-K160 PolarHBondContact O-N 3.48Å |
| 161 | Q | 51.6 | Low | 61 | Low | 97 Ų | 97 | 82.9 Ų | 82.9 | 45% | 0.453 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -95.8 | -16.1 | 174.7 | -74.1 | -178.3 | -6.9 | 0 | 0 | 113 | V153 V157 G158 E159 L163 A164 E165 | V153-Q161 HydrophobicContact CG1-CB 3.56Å; V157-Q161 HydrophobicContact CG1-CG 4.34Å; G158-Q161 PolarHBondContact O-N 3.48Å; E159-Q161 VanDerWaalsContact C-N 3.35Å; E159-Q161 PolarHBondContact O-N 2.95Å; Q161-L163 VanDerWaalsContact C-N 3.26Å; Q161-L163 PolarHBondContact O-N 3.29Å; Q161-A164 PolarHBondContact O-N 3.23Å; Q161-E165 PolarHBondContact O-N 2.97Å |
| 162 | S | 52.9 | Low | 61.3 | Low | 40 Ų | 40 | 83.2 Ų | 83.2 | 28% | 0.28 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.3 | -28.8 | 179.4 | 82.3 | 0 | 0 | 0 | 0 | 113 | E159 E165 L166 | E159-S162 PolarHBondContact O-N 3.45Å; E159-S162 VanDerWaalsContact O-N 3.16Å; E159-S162 PolarHBondContact O-OG 2.84Å; S162-E165 PolarHBondContact O-N 3.49Å; S162-L166 VanDerWaalsContact O-CB 3.24Å; S162-L166 WeakPolarHBondContact O-CB 3.29Å; S162-L166 PolarHBondContact O-N 2.78Å |
| 163 | L | 60.9 | Low | 61.8 | Low | 109 Ų | 109 | 86 Ų | 86 | 57% | 0.571 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -68.7 | -41.4 | -179.3 | -161.2 | 89.1 | 0 | 0 | 0 | 112.2 | Q161 L166 Q167 | Q161-L163 VanDerWaalsContact C-N 3.26Å; Q161-L163 PolarHBondContact O-N 3.29Å; L163-L166 PolarHBondContact O-N 2.84Å; L163-Q167 WeakPolarHBondContact O-CG 3.28Å; L163-Q167 PolarHBondContact O-N 3.17Å |
| 164 | A | 64.5 | Low | 62.6 | Low | 51 Ų | 51 | 89.6 Ų | 89.6 | 42% | 0.421 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.5 | -39.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | Q161 Q167 N168 | Q161-A164 PolarHBondContact O-N 3.23Å; A164-Q167 PolarHBondContact O-N 3.31Å; A164-N168 PolarHBondContact O-N 3.06Å |
| 165 | E | 62.7 | Low | 63.1 | Low | 47 Ų | 47 | 94.3 Ų | 94.3 | 22% | 0.22 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -71.8 | -34.2 | 176 | -70.1 | -58.3 | 159.3 | 0 | 0 | 112.7 | V153 Q161 S162 Q167 N168 L169 | V153-E165 HydrophobicContact CG1-CG 4.44Å; Q161-E165 PolarHBondContact O-N 2.97Å; S162-E165 PolarHBondContact O-N 3.49Å; E165-Q167 VanDerWaalsContact C-N 3.3Å; E165-Q167 PolarHBondContact O-N 3.32Å; E165-N168 PolarHBondContact O-N 2.92Å; E165-N168 PolarHBondContact OE2-ND2 3.31Å; E165-L169 WeakPolarHBondContact O-CB 3.39Å; E165-L169 WeakPolarHBondContact O-CG 2.95Å; E165-L169 PolarHBondContact O-N 3.49Å |
| 166 | L | 65 | Low | 63.4 | Low | 84 Ų | 84 | 90.5 Ų | 90.5 | 44% | 0.44 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.3 | -42 | 170.9 | -174.8 | 70.8 | 0 | 0 | 0 | 111 | S162 L163 L169 Q170 | S162-L166 VanDerWaalsContact O-CB 3.24Å; S162-L166 WeakPolarHBondContact O-CB 3.29Å; S162-L166 PolarHBondContact O-N 2.78Å; L163-L166 PolarHBondContact O-N 2.84Å; L166-L169 PolarHBondContact O-N 3.34Å; L166-Q170 WeakPolarHBondContact O-CB 3.42Å; L166-Q170 WeakPolarHBondContact O-CG 3.35Å; L166-Q170 PolarHBondContact O-N 3.3Å |
| 167 | Q | 71.3 | Confident | 64 | Low | 115 Ų | 115 | 84.2 Ų | 84.2 | 54% | 0.537 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.7 | -42 | 174.8 | -72.7 | 175.5 | -10.2 | 0 | 0 | 111.8 | L163 A164 E165 Q170 H171 | L163-Q167 WeakPolarHBondContact O-CG 3.28Å; L163-Q167 PolarHBondContact O-N 3.17Å; A164-Q167 PolarHBondContact O-N 3.31Å; E165-Q167 VanDerWaalsContact C-N 3.3Å; E165-Q167 PolarHBondContact O-N 3.32Å; Q167-Q170 PolarHBondContact O-N 2.95Å; Q167-H171 WeakPolarHBondContact O-CB 3.33Å; Q167-H171 PolarHBondContact O-N 3.47Å |
| 168 | N | 67.9 | Low | 65.1 | Low | 81 Ų | 81 | 86.1 Ų | 86.1 | 43% | 0.433 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 174.2 | -76.4 | -22.4 | 0 | 0 | 0 | 112.1 | A164 E165 H171 M172 | A164-N168 PolarHBondContact O-N 3.06Å; E165-N168 PolarHBondContact O-N 2.92Å; E165-N168 PolarHBondContact OE2-ND2 3.31Å; N168-H171 PolarHBondContact O-N 2.76Å; N168-M172 WeakPolarHBondContact O-CB 3.21Å; N168-M172 WeakPolarHBondContact O-CG 3.47Å; N168-M172 PolarHBondContact O-N 3.39Å |
| 169 | L | 68.6 | Low | 65.8 | Low | 24 Ų | 24 | 87.3 Ų | 87.3 | 13% | 0.126 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 176.1 | -82.4 | 167.1 | 0 | 0 | 0 | 111.7 | L107 T146 L147 S150 E165 L166 H171 M172 Y173 | L107-L169 HydrophobicContact CD2-CD1 4.11Å; T146-L169 HydrophobicContact CG2-CD2 4.03Å; T146-L169 HydrophobicContact CG2-CG 4.31Å; L147-L169 HydrophobicContact CD2-CD1 4.38Å; L147-L169 HydrophobicContact CD2-CD2 3.4Å; L147-L169 VanDerWaalsContact CD2-CD2 3.4Å; L147-L169 HydrophobicContact CG-CD2 3.69Å; S150-L169 WeakPolarHBondContact OG-CD1 3.5Å; E165-L169 WeakPolarHBondContact O-CB 3.39Å; E165-L169 WeakPolarHBondContact O-CG 2.95Å; E165-L169 PolarHBondContact O-N 3.49Å; L166-L169 PolarHBondContact O-N 3.34Å; L169-H171 VanDerWaalsContact C-N 3.34Å; L169-H171 PolarHBondContact O-N 2.86Å; L169-M172 PolarHBondContact O-N 2.86Å; L169-Y173 WeakPolarHBondContact O-CB 3.39Å; L169-Y173 PolarHBondContact O-N 3.07Å |
| 170 | Q | 74 | Confident | 66.3 | Low | 116 Ų | 116 | 83.4 Ų | 83.4 | 54% | 0.542 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 174.9 | -76.7 | 179 | -3.1 | 0 | 0 | 111.8 | L166 Q167 Y173 M174 | L166-Q170 WeakPolarHBondContact O-CB 3.42Å; L166-Q170 WeakPolarHBondContact O-CG 3.35Å; L166-Q170 PolarHBondContact O-N 3.3Å; Q167-Q170 PolarHBondContact O-N 2.95Å; Q170-Y173 PolarHBondContact O-N 3.43Å; Q170-M174 WeakPolarHBondContact O-CB 3.07Å; Q170-M174 PolarHBondContact O-N 3.35Å |
| 171 | H | 73.9 | Confident | 66.9 | Low | 117 Ų | 117 | 80.6 Ų | 80.6 | 54% | 0.542 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 177.3 | -168.4 | 70.4 | 0 | 0 | 0 | 111.8 | Q167 N168 L169 M174 R175 | Q167-H171 WeakPolarHBondContact O-CB 3.33Å; Q167-H171 PolarHBondContact O-N 3.47Å; N168-H171 PolarHBondContact O-N 2.76Å; L169-H171 VanDerWaalsContact C-N 3.34Å; L169-H171 PolarHBondContact O-N 2.86Å; H171-M174 PolarHBondContact O-N 2.85Å; H171-R175 WeakPolarHBondContact O-CB 3.45Å; H171-R175 PolarHBondContact O-N 3.31Å |
| 172 | M | 70 | Confident | 67.6 | Low | 32 Ų | 32 | 80 Ų | 80 | 16% | 0.158 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66.9 | -40.3 | 176.9 | -74.5 | -67.1 | -73.3 | 0 | 0 | 112.4 | A142 L143 T146 N168 L169 R175 N176 | A142-M172 HydrophobicContact CB-CE 3.8Å; L143-M172 HydrophobicContact CD1-CB 3.93Å; T146-M172 HydrophobicContact CG2-CG 4.49Å; N168-M172 WeakPolarHBondContact O-CB 3.21Å; N168-M172 WeakPolarHBondContact O-CG 3.47Å; N168-M172 PolarHBondContact O-N 3.39Å; L169-M172 PolarHBondContact O-N 2.86Å; M172-R175 PolarHBondContact O-N 2.9Å; M172-N176 WeakPolarHBondContact O-CB 3.49Å; M172-N176 PolarHBondContact O-N 3.29Å |
| 173 | Y | 72.8 | Confident | 68 | Low | 133 Ų | 133 | 82.6 Ų | 82.6 | 52% | 0.522 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59 | -50.5 | 173.8 | 178.8 | -96.6 | 0 | 0 | 0 | 111.1 | L169 Q170 R175 N176 T177 | L169-Y173 WeakPolarHBondContact O-CB 3.39Å; L169-Y173 PolarHBondContact O-N 3.07Å; Q170-Y173 PolarHBondContact O-N 3.43Å; Y173-R175 VanDerWaalsContact C-N 3.32Å; Y173-R175 PolarHBondContact O-N 2.71Å; Y173-N176 WeakPolarHBondContact O-CB 3.47Å; Y173-N176 PolarHBondContact O-N 3.43Å; Y173-N176 VanDerWaalsContact O-N 3.09Å; Y173-T177 PolarHBondContact O-N 3.45Å; Y173-T177 PolarHBondContact O-OG1 3.11Å; Y173-T177 VanDerWaalsContact O-OG1 3.11Å |
| 174 | M | 73.6 | Confident | 67.8 | Low | 104 Ų | 104 | 80.2 Ų | 80.2 | 51% | 0.512 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59 | -43.4 | 178.8 | -168.2 | -169.5 | -43.7 | 0 | 0 | 112 | Q170 H171 N176 T177 Q178 | Q170-M174 WeakPolarHBondContact O-CB 3.07Å; Q170-M174 PolarHBondContact O-N 3.35Å; H171-M174 PolarHBondContact O-N 2.85Å; M174-N176 VanDerWaalsContact C-N 3.34Å; M174-T177 PolarHBondContact O-N 3Å; M174-Q178 WeakPolarHBondContact O-CG 3.23Å; M174-Q178 PolarHBondContact O-N 2.86Å |
| 175 | R | 71.2 | Confident | 67.2 | Low | 146 Ų | 146 | 81 Ų | 81 | 55% | 0.551 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -64.8 | -38.2 | 176.1 | -171 | 177.3 | -179.1 | 179.8 | 1.2 | 112 | H171 M172 Y173 Q178 L179 | H171-R175 WeakPolarHBondContact O-CB 3.45Å; H171-R175 PolarHBondContact O-N 3.31Å; M172-R175 PolarHBondContact O-N 2.9Å; Y173-R175 VanDerWaalsContact C-N 3.32Å; Y173-R175 PolarHBondContact O-N 2.71Å; R175-Q178 PolarHBondContact O-N 3.37Å; R175-L179 HydrophobicContact CG-CD1 4.4Å; R175-L179 WeakPolarHBondContact O-CG 3.39Å; R175-L179 PolarHBondContact O-N 2.79Å |
| 176 | N | 67.9 | Low | 67 | Low | 19 Ų | 19 | 83.8 Ų | 83.8 | 10% | 0.102 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 175 | -172.8 | -86.9 | 0 | 0 | 0 | 111.1 | C139 M172 Y173 M174 Q178 L179 R180 | C139-N176 PolarHBondContact SG-ND2 3.33Å; C139-N176 VanDerWaalsContact SG-ND2 3.35Å; M172-N176 WeakPolarHBondContact O-CB 3.49Å; M172-N176 PolarHBondContact O-N 3.29Å; Y173-N176 WeakPolarHBondContact O-CB 3.47Å; Y173-N176 PolarHBondContact O-N 3.43Å; Y173-N176 VanDerWaalsContact O-N 3.09Å; M174-N176 VanDerWaalsContact C-N 3.34Å; N176-Q178 VanDerWaalsContact C-N 3.34Å; N176-Q178 PolarHBondContact O-N 3.46Å; N176-L179 PolarHBondContact O-N 2.74Å; N176-R180 WeakPolarHBondContact O-CG 3.41Å; N176-R180 PolarHBondContact O-N 2.7Å; N176-R180 WeakPolarHBondContact OD1-CD 3.41Å |
| 177 | T | 68.9 | Low | 66.5 | Low | 27 Ų | 27 | 85.6 Ų | 85.6 | 17% | 0.166 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -58.3 | -45.1 | 174.6 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | Y173 M174 L179 R180 Q181 | Y173-T177 PolarHBondContact O-N 3.45Å; Y173-T177 PolarHBondContact O-OG1 3.11Å; Y173-T177 VanDerWaalsContact O-OG1 3.11Å; M174-T177 PolarHBondContact O-N 3Å; T177-L179 VanDerWaalsContact C-N 3.35Å; T177-L179 PolarHBondContact O-N 2.74Å; T177-R180 PolarHBondContact O-N 3.2Å; T177-Q181 WeakPolarHBondContact O-CG 3.19Å; T177-Q181 PolarHBondContact O-N 3.38Å |
| 178 | Q | 71.7 | Confident | 65.3 | Low | 113 Ų | 113 | 87 Ų | 87 | 53% | 0.528 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 176 | -73.1 | 171.7 | -7.1 | 0 | 0 | 112.3 | M174 R175 N176 Q181 A182 | M174-Q178 WeakPolarHBondContact O-CG 3.23Å; M174-Q178 PolarHBondContact O-N 2.86Å; R175-Q178 PolarHBondContact O-N 3.37Å; N176-Q178 VanDerWaalsContact C-N 3.34Å; N176-Q178 PolarHBondContact O-N 3.46Å; Q178-Q181 PolarHBondContact O-N 2.88Å; Q178-A182 WeakPolarHBondContact O-CB 3.46Å; Q178-A182 PolarHBondContact O-N 3.22Å |
| 179 | L | 64.6 | Low | 64 | Low | 46 Ų | 46 | 90.6 Ų | 90.6 | 24% | 0.241 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -66 | -41.5 | 176.1 | -75.6 | 167.5 | 0 | 0 | 0 | 111.8 | C139 R175 N176 T177 A182 L183 | C139-L179 HydrophobicContact CB-CD1 4.23Å; R175-L179 HydrophobicContact CG-CD1 4.4Å; R175-L179 WeakPolarHBondContact O-CG 3.39Å; R175-L179 PolarHBondContact O-N 2.79Å; N176-L179 PolarHBondContact O-N 2.74Å; T177-L179 VanDerWaalsContact C-N 3.35Å; T177-L179 PolarHBondContact O-N 2.74Å; L179-A182 PolarHBondContact O-N 2.99Å; L179-L183 WeakPolarHBondContact O-CB 3.32Å; L179-L183 WeakPolarHBondContact O-CD1 3.43Å; L179-L183 WeakPolarHBondContact O-CG 3.47Å; L179-L183 PolarHBondContact O-N 3.16Å |
| 180 | R | 63.1 | Low | 62.4 | Low | 52 Ų | 52 | 94.3 Ų | 94.3 | 20% | 0.196 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 175.2 | -72.2 | -177.3 | 77 | 169.3 | 5.5 | 111.3 | N176 T177 L183 G184 L185 | N176-R180 WeakPolarHBondContact O-CG 3.41Å; N176-R180 PolarHBondContact O-N 2.7Å; N176-R180 WeakPolarHBondContact OD1-CD 3.41Å; T177-R180 PolarHBondContact O-N 3.2Å; R180-L183 CarbonylContact O-C 3.51Å; R180-L183 PolarHBondContact O-N 2.85Å; R180-G184 PolarHBondContact O-N 3.49Å; R180-G184 VanDerWaalsContact O-N 3.14Å; R180-L185 HydrophobicContact CB-CB 4.22Å; R180-L185 PolarHBondContact O-N 2.79Å |
| 181 | Q | 68.2 | Low | 60.3 | Low | 140 Ų | 140 | 99.1 Ų | 99.1 | 65% | 0.654 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.1 | -45.6 | 174.8 | -72.3 | 174.7 | -4.4 | 0 | 0 | 112.1 | T177 Q178 L183 G184 | T177-Q181 WeakPolarHBondContact O-CG 3.19Å; T177-Q181 PolarHBondContact O-N 3.38Å; Q178-Q181 PolarHBondContact O-N 2.88Å; Q181-L183 PolarHBondContact O-N 3.01Å; Q181-G184 PolarHBondContact O-N 3.38Å |
| 182 | A | 65.9 | Low | 59.6 | Low | 85 Ų | 85 | 98.2 Ų | 98.2 | 70% | 0.702 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.9 | -25.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q178 L179 | Q178-A182 WeakPolarHBondContact O-CB 3.46Å; Q178-A182 PolarHBondContact O-N 3.22Å; L179-A182 PolarHBondContact O-N 2.99Å |
| 183 | L | 61 | Low | 59.1 | Low | 93 Ų | 93 | 101.7 Ų | 101.7 | 49% | 0.487 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 3.4 | 177.7 | -66.2 | 168.2 | 0 | 0 | 0 | 113.2 | L136 L179 R180 Q181 L185 | L136-L183 HydrophobicContact CD1-CD1 3.46Å; L136-L183 VanDerWaalsContact CD1-CD1 3.46Å; L136-L183 HydrophobicContact CD2-CD1 3.85Å; L136-L183 HydrophobicContact CG-CD1 3.41Å; L136-L183 VanDerWaalsContact CG-CD1 3.41Å; L179-L183 WeakPolarHBondContact O-CB 3.32Å; L179-L183 WeakPolarHBondContact O-CD1 3.43Å; L179-L183 WeakPolarHBondContact O-CG 3.47Å; L179-L183 PolarHBondContact O-N 3.16Å; R180-L183 CarbonylContact O-C 3.51Å; R180-L183 PolarHBondContact O-N 2.85Å; Q181-L183 PolarHBondContact O-N 3.01Å; L183-L185 VanDerWaalsContact C-N 3.28Å; L183-L185 HydrophobicContact CB-CD1 4.34Å; L183-L185 HydrophobicContact CB-CG 4.37Å; L183-L185 PolarHBondContact O-N 3.4Å |
| 184 | G | 57.8 | Low | 58.3 | Low | 59 Ų | 59 | 99.9 Ų | 99.9 | 61% | 0.608 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 14.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R180 Q181 T186 | R180-G184 PolarHBondContact O-N 3.49Å; R180-G184 VanDerWaalsContact O-N 3.14Å; Q181-G184 PolarHBondContact O-N 3.38Å; G184-T186 PolarHBondContact O-N 2.79Å |
| 185 | L | 51.6 | Low | 57.4 | Low | 69 Ų | 69 | 99.7 Ų | 99.7 | 36% | 0.361 | 54% | 0.536 | S | S | . | . | trans | -86.5 | 94.9 | 178.2 | -61.4 | 171.3 | 0 | 0 | 0 | 108.9 | L136 R180 L183 | L136-L185 HydrophobicContact CD1-CD1 3.93Å; R180-L185 HydrophobicContact CB-CB 4.22Å; R180-L185 PolarHBondContact O-N 2.79Å; L183-L185 VanDerWaalsContact C-N 3.28Å; L183-L185 HydrophobicContact CB-CD1 4.34Å; L183-L185 HydrophobicContact CB-CG 4.37Å; L183-L185 PolarHBondContact O-N 3.4Å | ||
| 186 | T | 57.7 | Low | 56.6 | Low | 104 Ų | 104 | 96.8 Ų | 96.8 | 64% | 0.638 | 54% | 0.535 | S | S | * | . | trans | -79.7 | 149.3 | 176.7 | 49.7 | 0 | 0 | 0 | 0 | 111.6 | G184 N188 | G184-T186 PolarHBondContact O-N 2.79Å; T186-N188 PolarHBondContact O-N 2.94Å | ||
| 187 | E | 55.4 | Low | 55.8 | Low | 122 Ų | 122 | 102 Ų | 102 | 57% | 0.57 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -72.3 | 25.3 | -178 | -65 | -177.4 | 150 | 0 | 0 | 114.1 | ||
| 188 | N | 46 | Very low | 54.9 | Low | 145 Ų | 145 | 107.4 Ų | 107.4 | 78% | 0.775 | 59% | 0.593 | S | S | * | * | trans | -97.2 | 17.2 | -165.9 | -77.2 | -8 | 0 | 0 | 0 | 115.8 | T186 | T186-N188 PolarHBondContact O-N 2.94Š| ||
| 189 | E | 39.9 | Very low | 53.6 | Low | 157 Ų | 157 | 106.9 Ų | 106.9 | 73% | 0.734 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -125.3 | 132.9 | 168.5 | -65.9 | -175.8 | 163.6 | 0 | 0 | 107.9 | ||
| 190 | E | 34.8 | Very low | 52.7 | Low | 101 Ų | 101 | 112 Ų | 112 | 47% | 0.472 | 63% | 0.627 | S | S | . | * | trans | 97.9 | 69 | -178.4 | -53.1 | -179.4 | 161.7 | 0 | 0 | 116.6 | Q120 | Q120-E190 PolarHBondContact NE2-OE1 3.43Š| ||
| 191 | T | 31.1 | Very low | 51.8 | Low | 217 Ų | 217 | 117.5 Ų | 117.5 | 100% | 1.331 | 67% | 0.667 | S | S | * | * | -74.3 | 0 | 128.7 | 42.2 | 0 | 0 | 0 | 0 | 110.4 |
Retrieved 191 of 191 residues in 172.7 ms
(Link to these results)