| 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 | 39.6 | Very low | 53.6 | Low | 244 Ų | 244 | 129.5 Ų | 129.5 | 100% | 1.202 | 73% | 0.726 | S | S | * | * | 0 | 101.1 | 0 | -68.2 | -178.6 | 171.8 | 0 | 0 | 107.5 | |||||
| 2 | A | 41.4 | Very low | 54.4 | Low | 101 Ų | 101 | 132.6 Ų | 132.6 | 84% | 0.835 | 72% | 0.718 | S | S | * | * | trans | -83.8 | 112.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | T4 | A2-T4 PolarHBondContact O-N 2.9Å; A2-T4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | T | 50.7 | Low | 55.1 | Low | 135 Ų | 135 | 129.4 Ų | 129.4 | 83% | 0.828 | 70% | 0.7 | S | S | * | * | trans | -76.5 | 95.2 | 175.2 | 20.9 | 0 | 0 | 0 | 0 | 109.5 | V5 | T3-V5 PolarHBondContact O-N 3.39Š| ||
| 4 | T | 55.2 | Low | 56.4 | Low | 131 Ų | 131 | 123.8 Ų | 123.8 | 80% | 0.804 | 67% | 0.669 | S | S | * | * | trans | -62.8 | 100 | 166.2 | -68 | 0 | 0 | 0 | 0 | 109.2 | A2 A6 | A2-T4 PolarHBondContact O-N 2.9Å; A2-T4 VanDerWaalsContact O-N 3.16Å; T4-A6 PolarHBondContact O-N 3.19Å | ||
| 5 | V | 58.1 | Low | 56.8 | Low | 124 Ų | 124 | 127.3 Ų | 127.3 | 75% | 0.752 | 67% | 0.669 | S | S | * | * | trans | -72.1 | 118.4 | 169.6 | 179.8 | 0 | 0 | 0 | 0 | 107.8 | T3 | T3-V5 PolarHBondContact O-N 3.39Š| ||
| 6 | A | 53 | Low | 57.6 | Low | 53 Ų | 53 | 127.6 Ų | 127.6 | 44% | 0.438 | 66% | 0.663 | S | S | . | * | trans | -60.2 | 140 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114 | T4 R8 T9 | T4-A6 PolarHBondContact O-N 3.19Å; A6-R8 PolarHBondContact O-N 2.9Å; A6-R8 VanDerWaalsContact O-N 3.13Å; A6-T9 PolarHBondContact O-OG1 3.41Å | ||
| 7 | P | 58.5 | Low | 58.2 | Low | 100 Ų | 100 | 130.9 Ų | 130.9 | 65% | 0.649 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -67.8 | -13.3 | -176.7 | 24.7 | -33.6 | 0 | 0 | 0 | 115 | ||
| 8 | R | 55.6 | Low | 58.9 | Low | 218 Ų | 218 | 133.1 Ų | 133.1 | 82% | 0.823 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -75.4 | -25.8 | -174.6 | -67.7 | -177.1 | 177.5 | -122.7 | 0.5 | 114.1 | A6 | A6-R8 PolarHBondContact O-N 2.9Å; A6-R8 VanDerWaalsContact O-N 3.13Å |
| 9 | T | 57.8 | Low | 59.5 | Low | 78 Ų | 78 | 128.8 Ų | 128.8 | 48% | 0.479 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -81 | -34.7 | 179.3 | 53.3 | 0 | 0 | 0 | 0 | 111.5 | A6 R12 N13 | A6-T9 PolarHBondContact O-OG1 3.41Å; T9-R12 PolarHBondContact O-N 2.89Å; T9-N13 PolarHBondContact O-N 3.08Å; T9-N13 VanDerWaalsContact O-N 3.13Å; T9-N13 PolarHBondContact O-ND2 2.71Å; T9-N13 VanDerWaalsContact O-ND2 3.13Å |
| 10 | Y | 56.1 | Low | 59.9 | Low | 164 Ų | 164 | 124.1 Ų | 124.1 | 64% | 0.643 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -61.8 | -49.7 | 179.8 | -172.8 | -112 | 0 | 0 | 0 | 112.1 | R12 N13 I14 | Y10-R12 VanDerWaalsContact C-N 3.33Å; Y10-R12 PolarHBondContact O-N 3.14Å; Y10-N13 PolarHBondContact O-N 3.01Å; Y10-I14 HydrophobicContact CD1-CD1 3.59Å; Y10-I14 HydrophobicContact CD2-CD1 4.41Å; Y10-I14 HydrophobicContact CE1-CD1 3.28Å; Y10-I14 HydrophobicContact CE2-CD1 4.14Å; Y10-I14 HydrophobicContact CG-CD1 4.15Å; Y10-I14 WeakPolarHBondContact O-CG1 3.32Å; Y10-I14 PolarHBondContact O-N 3.35Å; Y10-I14 VanDerWaalsContact O-N 3.08Å |
| 11 | S | 63.4 | Low | 60.2 | Low | 77 Ų | 77 | 123.2 Ų | 123.2 | 54% | 0.538 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -64.1 | -35.1 | 177.6 | -55.5 | 0 | 0 | 0 | 0 | 113.1 | W15 | S11-W15 VanDerWaalsContact O-CB 3.3Å; S11-W15 WeakPolarHBondContact O-CB 3.26Å; S11-W15 PolarHBondContact O-N 3.38Å |
| 12 | R | 63.6 | Low | 61.7 | Low | 166 Ų | 166 | 117.1 Ų | 117.1 | 63% | 0.626 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.2 | -39.5 | 175.4 | -109.8 | 179.5 | -176.5 | 170.3 | 1.8 | 112.1 | T9 Y10 K16 | T9-R12 PolarHBondContact O-N 2.89Å; Y10-R12 VanDerWaalsContact C-N 3.33Å; Y10-R12 PolarHBondContact O-N 3.14Å; R12-K16 WeakPolarHBondContact O-CB 3.1Å; R12-K16 WeakPolarHBondContact O-CG 3.36Å; R12-K16 PolarHBondContact O-N 3.08Å |
| 13 | N | 63.6 | Low | 62.9 | Low | 91 Ų | 91 | 115.5 Ų | 115.5 | 49% | 0.487 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -74.9 | -35.9 | -179.5 | -67.9 | -33.6 | 0 | 0 | 0 | 112.3 | T9 Y10 R17 | T9-N13 PolarHBondContact O-N 3.08Å; T9-N13 VanDerWaalsContact O-N 3.13Å; T9-N13 PolarHBondContact O-ND2 2.71Å; T9-N13 VanDerWaalsContact O-ND2 3.13Å; Y10-N13 PolarHBondContact O-N 3.01Å; N13-R17 WeakPolarHBondContact O-CG 3.49Å; N13-R17 PolarHBondContact O-N 3.26Å |
| 14 | I | 72.6 | Confident | 63.5 | Low | 51 Ų | 51 | 110.9 Ų | 110.9 | 26% | 0.262 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.8 | -44.5 | 173.1 | -64.5 | 163.6 | 0 | 0 | 0 | 110.5 | Y10 R17 R18 | Y10-I14 HydrophobicContact CD1-CD1 3.59Å; Y10-I14 HydrophobicContact CD2-CD1 4.41Å; Y10-I14 HydrophobicContact CE1-CD1 3.28Å; Y10-I14 HydrophobicContact CE2-CD1 4.14Å; Y10-I14 HydrophobicContact CG-CD1 4.15Å; Y10-I14 WeakPolarHBondContact O-CG1 3.32Å; Y10-I14 PolarHBondContact O-N 3.35Å; Y10-I14 VanDerWaalsContact O-N 3.08Å; I14-R17 PolarHBondContact O-N 2.67Å; I14-R18 HydrophobicContact CG2-CG 4.36Å; I14-R18 WeakPolarHBondContact O-CG 3.42Å; I14-R18 PolarHBondContact O-N 3.36Å |
| 15 | W | 62.4 | Low | 63.8 | Low | 176 Ų | 176 | 111 Ų | 111 | 67% | 0.667 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63 | -44.2 | 177 | 179 | 30.9 | 0 | 0 | 0 | 111.5 | S11 R17 R18 V19 | S11-W15 VanDerWaalsContact O-CB 3.3Å; S11-W15 WeakPolarHBondContact O-CB 3.26Å; S11-W15 PolarHBondContact O-N 3.38Å; W15-R17 VanDerWaalsContact C-N 3.32Å; W15-R17 PolarHBondContact O-N 3.08Å; W15-R18 PolarHBondContact O-N 2.85Å; W15-V19 HydrophobicContact CG-CG2 4.32Å; W15-V19 WeakPolarHBondContact O-CB 3.25Å; W15-V19 VanDerWaalsContact O-CG2 3.23Å; W15-V19 WeakPolarHBondContact O-CG2 3.47Å; W15-V19 PolarHBondContact O-N 2.9Å |
| 16 | K | 69.4 | Low | 64 | Low | 133 Ų | 133 | 112.2 Ų | 112.2 | 58% | 0.578 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -58.1 | -41.3 | 173.7 | -75.6 | 172.1 | -179.6 | -169.4 | 0 | 112.7 | R12 A20 | R12-K16 WeakPolarHBondContact O-CB 3.1Å; R12-K16 WeakPolarHBondContact O-CG 3.36Å; R12-K16 PolarHBondContact O-N 3.08Å; K16-A20 WeakPolarHBondContact O-CB 3.18Å; K16-A20 PolarHBondContact O-N 2.89Å |
| 17 | R | 67.6 | Low | 64.7 | Low | 184 Ų | 184 | 110.5 Ų | 110.5 | 69% | 0.694 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.3 | -47.2 | 174.9 | -79.6 | 174.9 | 60.6 | 100.3 | 2.2 | 112.1 | N13 I14 W15 V19 A20 D21 | N13-R17 WeakPolarHBondContact O-CG 3.49Å; N13-R17 PolarHBondContact O-N 3.26Å; I14-R17 PolarHBondContact O-N 2.67Å; W15-R17 VanDerWaalsContact C-N 3.32Å; W15-R17 PolarHBondContact O-N 3.08Å; R17-V19 VanDerWaalsContact C-N 3.34Å; R17-V19 PolarHBondContact O-N 3.41Å; R17-A20 PolarHBondContact O-N 2.85Å; R17-D21 PolarHBondContact O-N 3.44Å |
| 18 | R | 72.3 | Confident | 65.2 | Low | 170 Ų | 170 | 107.9 Ų | 107.9 | 64% | 0.642 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64 | -37.8 | 178.3 | -70.7 | 177.6 | -177.4 | 179 | 0.5 | 112.4 | I14 W15 D21 L22 | I14-R18 HydrophobicContact CG2-CG 4.36Å; I14-R18 WeakPolarHBondContact O-CG 3.42Å; I14-R18 PolarHBondContact O-N 3.36Å; W15-R18 PolarHBondContact O-N 2.85Å; R18-D21 PolarHBondContact O-N 3.49Å; R18-L22 WeakPolarHBondContact O-CB 3.29Å; R18-L22 VanDerWaalsContact O-CG 3.29Å; R18-L22 WeakPolarHBondContact O-CG 3.36Å; R18-L22 PolarHBondContact O-N 3.39Å |
| 19 | V | 69.5 | Low | 65.7 | Low | 52 Ų | 52 | 105.2 Ų | 105.2 | 32% | 0.315 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.1 | -40.8 | 174.8 | 169.4 | 0 | 0 | 0 | 0 | 110.8 | W15 R17 L22 L23 | W15-V19 HydrophobicContact CG-CG2 4.32Å; W15-V19 WeakPolarHBondContact O-CB 3.25Å; W15-V19 VanDerWaalsContact O-CG2 3.23Å; W15-V19 WeakPolarHBondContact O-CG2 3.47Å; W15-V19 PolarHBondContact O-N 2.9Å; R17-V19 VanDerWaalsContact C-N 3.34Å; R17-V19 PolarHBondContact O-N 3.41Å; V19-L22 PolarHBondContact O-N 3.49Å; V19-L23 HydrophobicContact CG1-CD1 3.68Å; V19-L23 HydrophobicContact CG1-CG 4.28Å; V19-L23 WeakPolarHBondContact O-CB 3.4Å; V19-L23 VanDerWaalsContact O-CG 3.27Å; V19-L23 WeakPolarHBondContact O-CG 3.44Å; V19-L23 PolarHBondContact O-N 2.81Å |
| 20 | A | 66.6 | Low | 66.3 | Low | 34 Ų | 34 | 104.7 Ų | 104.7 | 28% | 0.281 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | K16 R17 L23 S24 | K16-A20 WeakPolarHBondContact O-CB 3.18Å; K16-A20 PolarHBondContact O-N 2.89Å; R17-A20 PolarHBondContact O-N 2.85Å; A20-L23 PolarHBondContact O-N 2.96Å; A20-S24 WeakPolarHBondContact O-CB 3.43Å; A20-S24 PolarHBondContact O-N 3.44Å; A20-S24 PolarHBondContact O-OG 2.91Å |
| 21 | D | 67.6 | Low | 67.5 | Low | 106 Ų | 106 | 98.1 Ų | 98.1 | 57% | 0.567 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66.8 | -34.6 | 175.3 | -79.2 | -11.8 | 0 | 0 | 0 | 112.6 | R17 R18 S24 N25 | R17-D21 PolarHBondContact O-N 3.44Å; R18-D21 PolarHBondContact O-N 3.49Å; D21-S24 WeakPolarHBondContact CA-OG 3.42Å; D21-S24 PolarHBondContact O-OG 3.5Å; D21-N25 PolarHBondContact O-ND2 2.98Å |
| 22 | L | 70.4 | Confident | 68.7 | Low | 115 Ų | 115 | 94.7 Ų | 94.7 | 60% | 0.602 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -70.5 | -40.4 | 174 | -73.8 | 168.9 | 0 | 0 | 0 | 111.5 | R18 V19 F26 | R18-L22 WeakPolarHBondContact O-CB 3.29Å; R18-L22 VanDerWaalsContact O-CG 3.29Å; R18-L22 WeakPolarHBondContact O-CG 3.36Å; R18-L22 PolarHBondContact O-N 3.39Å; V19-L22 PolarHBondContact O-N 3.49Å; L22-F26 VanDerWaalsContact O-CD2 3.28Å; L22-F26 WeakPolarHBondContact O-CD2 3.34Å; L22-F26 WeakPolarHBondContact O-CE2 3.43Å |
| 23 | L | 66.9 | Low | 69.9 | Low | 67 Ų | 67 | 88.5 Ų | 88.5 | 35% | 0.351 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -79.5 | -21.8 | -179.3 | -68.3 | 175.1 | 0 | 0 | 0 | 113.5 | V19 A20 N25 F26 V54 | V19-L23 HydrophobicContact CG1-CD1 3.68Å; V19-L23 HydrophobicContact CG1-CG 4.28Å; V19-L23 WeakPolarHBondContact O-CB 3.4Å; V19-L23 VanDerWaalsContact O-CG 3.27Å; V19-L23 WeakPolarHBondContact O-CG 3.44Å; V19-L23 PolarHBondContact O-N 2.81Å; A20-L23 PolarHBondContact O-N 2.96Å; L23-N25 PolarHBondContact O-N 2.62Å; L23-F26 PolarHBondContact O-N 2.84Å; L23-F26 VanDerWaalsContact O-N 3.1Å; L23-V54 HydrophobicContact CB-CG1 4.21Å |
| 24 | S | 63 | Low | 71.1 | Confident | 39 Ų | 39 | 89 Ų | 89 | 27% | 0.273 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.6 | -30.8 | 175.3 | 57.1 | 0 | 0 | 0 | 0 | 112.3 | A20 D21 F26 I27 | A20-S24 WeakPolarHBondContact O-CB 3.43Å; A20-S24 PolarHBondContact O-N 3.44Å; A20-S24 PolarHBondContact O-OG 2.91Å; D21-S24 WeakPolarHBondContact CA-OG 3.42Å; D21-S24 PolarHBondContact O-OG 3.5Å; S24-F26 PolarHBondContact O-N 3.44Å; S24-I27 PolarHBondContact O-N 3.36Å |
| 25 | N | 61.7 | Low | 71.8 | Confident | 134 Ų | 134 | 90.1 Ų | 90.1 | 72% | 0.717 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -11 | 176.1 | -61.2 | -28.8 | 0 | 0 | 0 | 113.2 | D21 L23 | D21-N25 PolarHBondContact O-ND2 2.98Å; L23-N25 PolarHBondContact O-N 2.62Å |
| 26 | F | 62.8 | Low | 73 | Confident | 148 Ų | 148 | 92.4 Ų | 92.4 | 65% | 0.649 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | 13.1 | 177.5 | -65.4 | -85.8 | 0 | 0 | 0 | 113.3 | L22 L23 S24 P28 R61 | L22-F26 VanDerWaalsContact O-CD2 3.28Å; L22-F26 WeakPolarHBondContact O-CD2 3.34Å; L22-F26 WeakPolarHBondContact O-CE2 3.43Å; L23-F26 PolarHBondContact O-N 2.84Å; L23-F26 VanDerWaalsContact O-N 3.1Å; S24-F26 PolarHBondContact O-N 3.44Å; F26-P28 WeakPolarHBondContact O-CD 3.02Å; F26-R61 PolarHBondContact O-NH1 2.92Å |
| 27 | I | 66.3 | Low | 73.8 | Confident | 18 Ų | 18 | 89.8 Ų | 89.8 | 9% | 0.092 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -104.4 | 104.4 | 173.7 | -56.2 | 171.8 | 0 | 0 | 0 | 107.6 | S24 E29 A32 Y40 V54 L57 | S24-I27 PolarHBondContact O-N 3.36Å; I27-E29 PolarHBondContact O-N 3.41Å; I27-A32 HydrophobicContact CG2-CB 3.72Å; I27-Y40 HydrophobicContact CD1-CD1 3.71Å; I27-Y40 HydrophobicContact CD1-CE1 3.44Å; I27-Y40 VanDerWaalsContact CD1-CE1 3.44Å; I27-V54 HydrophobicContact CD1-CG1 4.36Å; I27-L57 HydrophobicContact CD1-CD2 3.78Å; I27-L57 HydrophobicContact CG1-CD2 4.28Å; I27-L57 HydrophobicContact CG2-CD2 4.18Å |
| 28 | P | 70.1 | Confident | 74.6 | Confident | 45 Ų | 45 | 83.1 Ų | 83.1 | 29% | 0.292 | 43% | 0.433 | S | S | . | . | trans | -57.8 | 133.7 | 176.3 | -20.4 | 31.3 | 0 | 0 | 0 | 110.3 | F26 D30 E31 A32 | F26-P28 WeakPolarHBondContact O-CD 3.02Å; P28-D30 PolarHBondContact O-N 3.08Å; P28-D30 VanDerWaalsContact O-N 3.12Å; P28-E31 HydrophobicContact CB-CB 4.36Å; P28-E31 HydrophobicContact CB-CG 4.19Å; P28-E31 HydrophobicContact CG-CG 4.37Å; P28-E31 PolarHBondContact O-N 2.91Å; P28-A32 PolarHBondContact O-N 3.15Å | ||
| 29 | E | 66.3 | Low | 75.5 | Confident | 161 Ų | 161 | 80 Ų | 80 | 75% | 0.752 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -29.1 | -177.8 | -66 | 77.4 | -171.7 | 0 | 0 | 112 | I27 E31 L43 | I27-E29 PolarHBondContact O-N 3.41Å; E29-E31 VanDerWaalsContact C-N 3.32Å; E29-L43 WeakPolarHBondContact O-CD1 3.32Å |
| 30 | D | 70.8 | Confident | 76.5 | Confident | 67 Ų | 67 | 78.4 Ų | 78.4 | 36% | 0.358 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -21.4 | 178.5 | -78.4 | -13.3 | 0 | 0 | 0 | 112.9 | P28 K77 | P28-D30 PolarHBondContact O-N 3.08Å; P28-D30 VanDerWaalsContact O-N 3.12Å; D30-K77 IonicContact OD1-NZ 3.59Å; D30-K77 IonicContact OD2-NZ 2.85Å; D30-K77 PolarHBondContact OD2-NZ 3.09Å |
| 31 | E | 80.9 | Confident | 77.7 | Confident | 26 Ų | 26 | 77.8 Ų | 77.8 | 12% | 0.121 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -42.9 | -172.9 | -70.5 | -177.1 | -174.2 | 0 | 0 | 113.4 | P28 E29 L43 V44 R61 L70 | P28-E31 HydrophobicContact CB-CB 4.36Å; P28-E31 HydrophobicContact CB-CG 4.19Å; P28-E31 HydrophobicContact CG-CG 4.37Å; P28-E31 PolarHBondContact O-N 2.91Å; E29-E31 VanDerWaalsContact C-N 3.32Å; E31-L43 PolarHBondContact O-N 3.22Å; E31-V44 HydrophobicContact CB-CG2 4.33Å; E31-V44 HydrophobicContact CG-CG2 4.3Å; E31-R61 IonicContact OE2-CZ 3.81Å; E31-R61 IonicContact OE2-NE 2.67Å; E31-R61 PolarHBondContact OE2-NE 3.49Å; E31-R61 VanDerWaalsContact OE2-NE 3.13Å; E31-R61 IonicContact OE2-NH2 3.6Å; E31-R61 PolarHBondContact OE2-NH2 3.48Å; E31-L70 HydrophobicContact CG-CD1 3.93Å |
| 32 | A | 88.7 | Confident | 78.9 | Confident | 5 Ų | 5 | 72.7 Ų | 72.7 | 4% | 0.041 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 148.3 | -180 | 0 | 0 | 0 | 0 | 0 | 111.7 | I27 P28 T41 L57 | I27-A32 HydrophobicContact CG2-CB 3.72Å; P28-A32 PolarHBondContact O-N 3.15Å; A32-T41 CarbonylContact C-O 3.44Å; A32-T41 WeakPolarHBondContact CA-O 3.39Å; A32-T41 WeakPolarHBondContact CB-O 3.24Å; A32-L57 HydrophobicContact CB-CD1 3.88Å; A32-L57 HydrophobicContact CB-CD2 3.87Å; A32-L57 HydrophobicContact CB-CG 4.46Å |
| 33 | A | 88.6 | Confident | 79.9 | Confident | 36 Ų | 36 | 69.2 Ų | 69.2 | 30% | 0.298 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 140.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y40 T41 L43 | A33-Y40 CarbonylContact O-C 3.57Å; A33-Y40 WeakPolarHBondContact O-CA 3.35Å; A33-T41 HydrophobicContact CB-CG2 4.07Å; A33-T41 PolarHBondContact N-O 2.89Å; A33-T41 PolarHBondContact O-N 3.42Å; A33-L43 HydrophobicContact CB-CD1 4.25Å; A33-L43 HydrophobicContact CB-CD2 3.96Å; A33-L43 HydrophobicContact CB-CG 4.36Å |
| 34 | L | 88.3 | Confident | 81 | Confident | 102 Ų | 102 | 66.6 Ų | 66.6 | 53% | 0.534 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 122.8 | 168.6 | -179.2 | 60.8 | 0 | 0 | 0 | 109.5 | Y40 | L34-Y40 HydrophobicContact CB-CD1 4.3Å; L34-Y40 HydrophobicContact CB-CE1 4.19Å; L34-Y40 HydrophobicContact CD1-CD1 4Å; L34-Y40 HydrophobicContact CD1-CD2 4.48Å; L34-Y40 HydrophobicContact CD1-CE1 3.71Å; L34-Y40 HydrophobicContact CD1-CE2 4.2Å; L34-Y40 HydrophobicContact CD1-CG 4.37Å; L34-Y40 HydrophobicContact CG-CE1 4.38Å |
| 35 | M | 88.4 | Confident | 82.4 | Confident | 75 Ų | 75 | 65.4 Ų | 65.4 | 37% | 0.369 | 34% | 0.335 | S | S | . | . | trans | -83.4 | 159 | 177.1 | -61.2 | 177.8 | 76.8 | 0 | 0 | 110.9 | N37 G38 R39 T41 V50 | M35-N37 WeakPolarHBondContact CB-OD1 3.26Å; M35-N37 PolarHBondContact O-N 3.44Å; M35-G38 PolarHBondContact O-N 2.87Å; M35-R39 WeakPolarHBondContact CB-O 3.37Å; M35-R39 PolarHBondContact N-O 3.47Å; M35-T41 HydrophobicContact CG-CG2 4.01Å; M35-T41 HydrophobicContact SD-CG2 4.39Å; M35-V50 HydrophobicContact SD-CG1 4.25Å; M35-V50 HydrophobicContact SD-CG2 4.35Å | ||
| 36 | K | 87 | Confident | 83.6 | Confident | 223 Ų | 223 | 64 Ų | 64 | 97% | 0.97 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -19.1 | 176 | 63.9 | 179.3 | 177.1 | -179.4 | 0 | 115.6 | G38 | K36-G38 VanDerWaalsContact C-N 3.28Š|
| 37 | N | 86.7 | Confident | 84.7 | Confident | 78 Ų | 78 | 67.2 Ų | 67.2 | 42% | 0.417 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 2.7 | 176.5 | 59.9 | 11.8 | 0 | 0 | 0 | 112.8 | M35 R39 | M35-N37 WeakPolarHBondContact CB-OD1 3.26Å; M35-N37 PolarHBondContact O-N 3.44Å; N37-R39 VanDerWaalsContact C-N 3.33Å; N37-R39 PolarHBondContact ND2-NE 2.84Å; N37-R39 VanDerWaalsContact ND2-NE 3.14Å; N37-R39 PolarHBondContact ND2-NH2 3.49Å; N37-R39 WeakPolarHBondContact OD1-CB 3.38Å; N37-R39 PolarHBondContact OD1-N 2.94Å |
| 38 | G | 84.1 | Confident | 85.9 | Confident | 44 Ų | 44 | 72.4 Ų | 72.4 | 45% | 0.454 | 36% | 0.364 | S | S | . | . | S | Bend | trans | 80.8 | 7.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | M35 K36 | M35-G38 PolarHBondContact O-N 2.87Å; K36-G38 VanDerWaalsContact C-N 3.28Å |
| 39 | R | 90.2 | Very high | 87 | Confident | 105 Ų | 105 | 72.1 Ų | 72.1 | 40% | 0.396 | 36% | 0.362 | S | S | . | . | trans | -99.5 | 152.5 | 177.1 | -58.3 | -171 | -65.4 | -171.3 | 4 | 111.7 | M35 N37 V50 D52 | M35-R39 WeakPolarHBondContact CB-O 3.37Å; M35-R39 PolarHBondContact N-O 3.47Å; N37-R39 VanDerWaalsContact C-N 3.33Å; N37-R39 PolarHBondContact ND2-NE 2.84Å; N37-R39 VanDerWaalsContact ND2-NE 3.14Å; N37-R39 PolarHBondContact ND2-NH2 3.49Å; N37-R39 WeakPolarHBondContact OD1-CB 3.38Å; N37-R39 PolarHBondContact OD1-N 2.94Å; R39-V50 HydrophobicContact CB-CG1 3.71Å; R39-V50 HydrophobicContact CG-CG1 4.5Å; R39-D52 WeakPolarHBondContact CD-OD1 3.07Å | ||
| 40 | Y | 90.4 | Very high | 88.3 | Confident | 19 Ų | 19 | 67.6 Ų | 67.6 | 8% | 0.075 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 140.1 | 179.8 | -59.7 | -88.7 | 0 | 0 | 0 | 111.1 | I27 A33 L34 V50 F51 V54 L57 | I27-Y40 HydrophobicContact CD1-CD1 3.71Å; I27-Y40 HydrophobicContact CD1-CE1 3.44Å; I27-Y40 VanDerWaalsContact CD1-CE1 3.44Å; A33-Y40 CarbonylContact O-C 3.57Å; A33-Y40 WeakPolarHBondContact O-CA 3.35Å; L34-Y40 HydrophobicContact CB-CD1 4.3Å; L34-Y40 HydrophobicContact CB-CE1 4.19Å; L34-Y40 HydrophobicContact CD1-CD1 4Å; L34-Y40 HydrophobicContact CD1-CD2 4.48Å; L34-Y40 HydrophobicContact CD1-CE1 3.71Å; L34-Y40 HydrophobicContact CD1-CE2 4.2Å; L34-Y40 HydrophobicContact CD1-CG 4.37Å; L34-Y40 HydrophobicContact CG-CE1 4.38Å; Y40-V50 CarbonylContact O-C 3.47Å; Y40-V50 VanDerWaalsContact O-CA 3.22Å; Y40-V50 WeakPolarHBondContact O-CA 3.34Å; Y40-F51 PolarHBondContact N-O 3.41Å; Y40-F51 PolarHBondContact O-N 3.43Å; Y40-V54 HydrophobicContact CD2-CG2 4.45Å; Y40-V54 HydrophobicContact CE1-CG2 4.17Å; Y40-V54 HydrophobicContact CE2-CG2 3.57Å; Y40-V54 VanDerWaalsContact OH-CG2 3.23Å; Y40-V54 WeakPolarHBondContact OH-CG2 3.35Å; Y40-L57 HydrophobicContact CD1-CD2 4.02Å; Y40-L57 HydrophobicContact CG-CD2 4.03Å |
| 41 | T | 93 | Very high | 89.2 | Confident | 20 Ų | 20 | 65.6 Ų | 65.6 | 12% | 0.123 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 134.7 | 173.3 | -177.9 | 0 | 0 | 0 | 0 | 110.8 | A32 A33 M35 L43 P49 | A32-T41 CarbonylContact C-O 3.44Å; A32-T41 WeakPolarHBondContact CA-O 3.39Å; A32-T41 WeakPolarHBondContact CB-O 3.24Å; A33-T41 HydrophobicContact CB-CG2 4.07Å; A33-T41 PolarHBondContact N-O 2.89Å; A33-T41 PolarHBondContact O-N 3.42Å; M35-T41 HydrophobicContact CG-CG2 4.01Å; M35-T41 HydrophobicContact SD-CG2 4.39Å; T41-L43 HydrophobicContact CG2-CD2 4.14Å; T41-P49 WeakPolarHBondContact CA-O 3.39Å; T41-P49 PolarHBondContact OG1-O 3.1Å |
| 42 | C | 92.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 126.3 | 175.7 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | R48 P49 F51 H60 H66 | C42-R48 VanDerWaalsContact O-CA 3.32Å; C42-R48 WeakPolarHBondContact O-CA 3.28Å; C42-P49 HydrophobicContact CB-CG 3.98Å; C42-P49 PolarHBondContact N-O 2.83Å; C42-F51 HydrophobicContact CB-CE2 4.33Å; C42-H60 PolarHBondContact SG-NE2 2.96Å; C42-H66 PolarHBondContact SG-ND1 3.08Å |
| 43 | L | 91.1 | Very high | 89.6 | Confident | 41 Ų | 41 | 72.1 Ų | 72.1 | 22% | 0.215 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -89.7 | -18.5 | -178.6 | -51.8 | -177.7 | 0 | 0 | 0 | 113.1 | E29 E31 A33 T41 R48 | E29-L43 WeakPolarHBondContact O-CD1 3.32Å; E31-L43 PolarHBondContact O-N 3.22Å; A33-L43 HydrophobicContact CB-CD1 4.25Å; A33-L43 HydrophobicContact CB-CD2 3.96Å; A33-L43 HydrophobicContact CB-CG 4.36Å; T41-L43 HydrophobicContact CG2-CD2 4.14Å; L43-R48 PolarHBondContact O-NH1 3.09Å |
| 44 | V | 91.4 | Very high | 89.4 | Confident | 13 Ų | 13 | 71.2 Ų | 71.2 | 8% | 0.079 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -82.2 | -40.5 | -173.8 | 175.5 | 0 | 0 | 0 | 0 | 112.1 | E31 L70 | E31-V44 HydrophobicContact CB-CG2 4.33Å; E31-V44 HydrophobicContact CG-CG2 4.3Å; V44-L70 HydrophobicContact CB-CD1 4.35Å; V44-L70 VanDerWaalsContact CG1-CA 3.4Å; V44-L70 HydrophobicContact CG1-CB 3.9Å; V44-L70 HydrophobicContact CG1-CD1 3.83Å; V44-L70 HydrophobicContact CG2-CD1 3.63Å |
| 45 | C | 91.3 | Very high | 89.3 | Confident | 13 Ų | 13 | 71.8 Ų | 71.8 | 9% | 0.088 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -73.4 | 138.5 | -180 | -74 | 0 | 0 | 0 | 0 | 111 | Y47 R48 P49 H60 | C45-Y47 VanDerWaalsContact C-N 3.27Å; C45-Y47 PolarHBondContact O-N 2.94Å; C45-R48 WeakPolarHBondContact O-CG 3.46Å; C45-R48 PolarHBondContact O-N 2.93Å; C45-P49 HydrophobicContact CB-CG 4.35Å; C45-H60 PolarHBondContact SG-CE1 3.44Å; C45-H60 PolarHBondContact SG-NE2 2.82Å |
| 46 | S | 86.4 | Confident | 89.4 | Confident | 105 Ų | 105 | 73.1 Ų | 73.1 | 73% | 0.734 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -38.3 | -179 | 52.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 47 | Y | 87.4 | Confident | 89.5 | Confident | 216 Ų | 216 | 62.5 Ų | 62.5 | 85% | 0.847 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 1.8 | -178.4 | -57.9 | -79.2 | 0 | 0 | 0 | 114.1 | C45 | C45-Y47 VanDerWaalsContact C-N 3.27Å; C45-Y47 PolarHBondContact O-N 2.94Å |
| 48 | R | 90.7 | Very high | 89.5 | Confident | 126 Ų | 126 | 61.1 Ų | 61.1 | 48% | 0.475 | 32% | 0.32 | S | S | . | . | trans | 42.1 | 63.2 | 176.9 | -55.6 | -174.8 | 96.2 | 83.8 | -9.8 | 115 | C42 L43 C45 | C42-R48 VanDerWaalsContact O-CA 3.32Å; C42-R48 WeakPolarHBondContact O-CA 3.28Å; L43-R48 PolarHBondContact O-NH1 3.09Å; C45-R48 WeakPolarHBondContact O-CG 3.46Å; C45-R48 PolarHBondContact O-N 2.93Å | ||
| 49 | P | 93.1 | Very high | 89.9 | Confident | 40 Ų | 40 | 64 Ų | 64 | 26% | 0.26 | 33% | 0.329 | S | S | . | . | trans | -60.6 | 149.6 | -179.3 | 26.3 | -33.6 | 0 | 0 | 0 | 112.1 | T41 C42 C45 F51 | T41-P49 WeakPolarHBondContact CA-O 3.39Å; T41-P49 PolarHBondContact OG1-O 3.1Å; C42-P49 HydrophobicContact CB-CG 3.98Å; C42-P49 PolarHBondContact N-O 2.83Å; C45-P49 HydrophobicContact CB-CG 4.35Å; P49-F51 HydrophobicContact CB-CE2 3.91Å; P49-F51 HydrophobicContact CB-CZ 3.74Å; P49-F51 HydrophobicContact CG-CE2 3.81Å; P49-F51 HydrophobicContact CG-CZ 3.81Å | ||
| 50 | V | 93.3 | Very high | 90 | Very high | 65 Ų | 65 | 60.8 Ų | 60.8 | 39% | 0.394 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 136.1 | 178.6 | -178.2 | 0 | 0 | 0 | 0 | 109.5 | M35 R39 Y40 | M35-V50 HydrophobicContact SD-CG1 4.25Å; M35-V50 HydrophobicContact SD-CG2 4.35Å; R39-V50 HydrophobicContact CB-CG1 3.71Å; R39-V50 HydrophobicContact CG-CG1 4.5Å; Y40-V50 CarbonylContact O-C 3.47Å; Y40-V50 VanDerWaalsContact O-CA 3.22Å; Y40-V50 WeakPolarHBondContact O-CA 3.34Å |
| 51 | F | 91.1 | Very high | 90 | Very high | 26 Ų | 26 | 62.7 Ų | 62.7 | 11% | 0.114 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 138.5 | -176.7 | -57.4 | -77.9 | 0 | 0 | 0 | 110.7 | Y40 C42 P49 M56 L57 H60 | Y40-F51 PolarHBondContact N-O 3.41Å; Y40-F51 PolarHBondContact O-N 3.43Å; C42-F51 HydrophobicContact CB-CE2 4.33Å; P49-F51 HydrophobicContact CB-CE2 3.91Å; P49-F51 HydrophobicContact CB-CZ 3.74Å; P49-F51 HydrophobicContact CG-CE2 3.81Å; P49-F51 HydrophobicContact CG-CZ 3.81Å; F51-M56 HydrophobicContact CB-CB 4.34Å; F51-M56 HydrophobicContact CD1-CB 3.93Å; F51-M56 HydrophobicContact CD1-CE 4.43Å; F51-M56 HydrophobicContact CG-CB 4.48Å; F51-L57 HydrophobicContact CB-CB 4.32Å; F51-L57 HydrophobicContact CD2-CB 4.23Å; F51-L57 HydrophobicContact CD2-CD1 3.69Å; F51-L57 HydrophobicContact CE2-CD1 4.01Å; F51-L57 HydrophobicContact CG-CB 4.34Å; F51-H60 HydrophobicContact CE1-CB 3.89Å; F51-H60 HydrophobicContact CE2-CB 3.86Å; F51-H60 AromaticContact CE2-CD2 3.61Å; F51-H60 AromaticContact CE2-CG 3.6Å; F51-H60 HydrophobicContact CZ-CB 3.38Å; F51-H60 AromaticContact CZ-CD2 3.72Å; F51-H60 AromaticContact CZ-CG 3.22Å; F51-H60 AromaticContact CZ-ND1 3.51Å |
| 52 | D | 90.2 | Very high | 89.8 | Confident | 108 Ų | 108 | 68.6 Ų | 68.6 | 58% | 0.578 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -83.2 | -23.1 | -179.5 | -61.2 | -42.4 | 0 | 0 | 0 | 112.8 | R39 | R39-D52 WeakPolarHBondContact CD-OD1 3.07Š|
| 53 | T | 87.6 | Confident | 89.8 | Confident | 60 Ų | 60 | 69.9 Ų | 69.9 | 37% | 0.368 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -129.8 | 155 | -179.9 | 70 | 0 | 0 | 0 | 0 | 112.5 | D55 M56 L57 | T53-D55 VanDerWaalsContact C-N 3.28Å; T53-D55 PolarHBondContact O-N 3.06Å; T53-M56 PolarHBondContact O-N 2.87Å; T53-M56 WeakPolarHBondContact OG1-CG 3.25Å; T53-M56 PolarHBondContact OG1-N 3.45Å; T53-L57 PolarHBondContact O-N 2.74Å |
| 54 | V | 84 | Confident | 89.9 | Confident | 16 Ų | 16 | 76.3 Ų | 76.3 | 10% | 0.097 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.6 | -35.1 | 175.3 | -178.3 | 0 | 0 | 0 | 0 | 111.4 | L23 I27 Y40 M56 L57 T58 | L23-V54 HydrophobicContact CB-CG1 4.21Å; I27-V54 HydrophobicContact CD1-CG1 4.36Å; Y40-V54 HydrophobicContact CD2-CG2 4.45Å; Y40-V54 HydrophobicContact CE1-CG2 4.17Å; Y40-V54 HydrophobicContact CE2-CG2 3.57Å; Y40-V54 VanDerWaalsContact OH-CG2 3.23Å; Y40-V54 WeakPolarHBondContact OH-CG2 3.35Å; V54-M56 PolarHBondContact O-N 3.32Å; V54-L57 WeakPolarHBondContact O-CB 3.37Å; V54-L57 PolarHBondContact O-N 2.9Å; V54-T58 WeakPolarHBondContact O-CB 3.33Å; V54-T58 PolarHBondContact O-N 2.9Å; V54-T58 PolarHBondContact O-OG1 3.22Å |
| 55 | D | 86.2 | Confident | 89.9 | Confident | 114 Ų | 114 | 84.3 Ų | 84.3 | 61% | 0.61 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -62.3 | -45.6 | -179.9 | -59 | -36.4 | 0 | 0 | 0 | 111.3 | T53 L57 T58 V59 | T53-D55 VanDerWaalsContact C-N 3.28Å; T53-D55 PolarHBondContact O-N 3.06Å; D55-L57 VanDerWaalsContact C-N 3.34Å; D55-L57 PolarHBondContact O-N 3.23Å; D55-T58 WeakPolarHBondContact O-CB 2.85Å; D55-T58 PolarHBondContact O-N 2.96Å; D55-V59 PolarHBondContact O-N 3.48Å; D55-V59 VanDerWaalsContact O-N 3.09Å |
| 56 | M | 89.9 | Confident | 90 | Very high | 104 Ų | 104 | 83.8 Ų | 83.8 | 51% | 0.512 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.2 | -39.8 | 176.5 | -71.3 | -176.1 | 71 | 0 | 0 | 112 | F51 T53 V54 T58 V59 H60 | F51-M56 HydrophobicContact CB-CB 4.34Å; F51-M56 HydrophobicContact CD1-CB 3.93Å; F51-M56 HydrophobicContact CD1-CE 4.43Å; F51-M56 HydrophobicContact CG-CB 4.48Å; T53-M56 PolarHBondContact O-N 2.87Å; T53-M56 WeakPolarHBondContact OG1-CG 3.25Å; T53-M56 PolarHBondContact OG1-N 3.45Å; V54-M56 PolarHBondContact O-N 3.32Å; M56-T58 VanDerWaalsContact C-N 3.3Å; M56-T58 PolarHBondContact O-N 3.43Å; M56-V59 PolarHBondContact O-N 2.97Å; M56-H60 WeakPolarHBondContact O-CB 3.2Å; M56-H60 PolarHBondContact O-N 3.41Å |
| 57 | L | 88.9 | Confident | 90.3 | Very high | 0 Ų | 0 | 83.1 Ų | 83.1 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.9 | -40.7 | 174.1 | 176.1 | 67.1 | 0 | 0 | 0 | 111.2 | I27 A32 Y40 F51 T53 V54 D55 H60 R61 | I27-L57 HydrophobicContact CD1-CD2 3.78Å; I27-L57 HydrophobicContact CG1-CD2 4.28Å; I27-L57 HydrophobicContact CG2-CD2 4.18Å; A32-L57 HydrophobicContact CB-CD1 3.88Å; A32-L57 HydrophobicContact CB-CD2 3.87Å; A32-L57 HydrophobicContact CB-CG 4.46Å; Y40-L57 HydrophobicContact CD1-CD2 4.02Å; Y40-L57 HydrophobicContact CG-CD2 4.03Å; F51-L57 HydrophobicContact CB-CB 4.32Å; F51-L57 HydrophobicContact CD2-CB 4.23Å; F51-L57 HydrophobicContact CD2-CD1 3.69Å; F51-L57 HydrophobicContact CE2-CD1 4.01Å; F51-L57 HydrophobicContact CG-CB 4.34Å; T53-L57 PolarHBondContact O-N 2.74Å; V54-L57 WeakPolarHBondContact O-CB 3.37Å; V54-L57 PolarHBondContact O-N 2.9Å; D55-L57 VanDerWaalsContact C-N 3.34Å; D55-L57 PolarHBondContact O-N 3.23Å; L57-H60 WeakPolarHBondContact O-CB 3.28Å; L57-H60 PolarHBondContact O-N 3.41Å; L57-H60 VanDerWaalsContact O-N 3.15Å; L57-R61 HydrophobicContact CD1-CG 4.46Å; L57-R61 HydrophobicContact CG-CG 4.45Å; L57-R61 VanDerWaalsContact O-CG 3.31Å; L57-R61 WeakPolarHBondContact O-CG 3.41Å; L57-R61 PolarHBondContact O-N 3.35Å |
| 58 | T | 88.1 | Confident | 90.6 | Very high | 49 Ų | 49 | 79.3 Ų | 79.3 | 30% | 0.301 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.1 | -45.2 | -179.4 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | V54 D55 M56 H60 R61 Q62 | V54-T58 WeakPolarHBondContact O-CB 3.33Å; V54-T58 PolarHBondContact O-N 2.9Å; V54-T58 PolarHBondContact O-OG1 3.22Å; D55-T58 WeakPolarHBondContact O-CB 2.85Å; D55-T58 PolarHBondContact O-N 2.96Å; M56-T58 VanDerWaalsContact C-N 3.3Å; M56-T58 PolarHBondContact O-N 3.43Å; T58-H60 VanDerWaalsContact C-N 3.29Å; T58-H60 PolarHBondContact O-N 3.26Å; T58-R61 PolarHBondContact O-N 2.92Å; T58-Q62 PolarHBondContact O-N 2.86Å |
| 59 | V | 91.3 | Very high | 90.6 | Very high | 105 Ų | 105 | 74.2 Ų | 74.2 | 64% | 0.636 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -61.5 | -40.3 | 173.5 | 175.5 | 0 | 0 | 0 | 0 | 111 | D55 M56 R61 Q62 G63 | D55-V59 PolarHBondContact O-N 3.48Å; D55-V59 VanDerWaalsContact O-N 3.09Å; M56-V59 PolarHBondContact O-N 2.97Å; V59-R61 PolarHBondContact O-N 3.15Å; V59-Q62 PolarHBondContact O-N 3.45Å; V59-G63 PolarHBondContact O-N 2.87Å |
| 60 | H | 92.9 | Very high | 90.5 | Very high | 37 Ų | 37 | 73.8 Ų | 73.8 | 17% | 0.171 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 176.5 | 174.4 | 73.6 | 0 | 0 | 0 | 113 | C42 C45 F51 M56 L57 T58 Q62 G63 H66 | C42-H60 PolarHBondContact SG-NE2 2.96Å; C45-H60 PolarHBondContact SG-CE1 3.44Å; C45-H60 PolarHBondContact SG-NE2 2.82Å; F51-H60 HydrophobicContact CE1-CB 3.89Å; F51-H60 HydrophobicContact CE2-CB 3.86Å; F51-H60 AromaticContact CE2-CD2 3.61Å; F51-H60 AromaticContact CE2-CG 3.6Å; F51-H60 HydrophobicContact CZ-CB 3.38Å; F51-H60 AromaticContact CZ-CD2 3.72Å; F51-H60 AromaticContact CZ-CG 3.22Å; F51-H60 AromaticContact CZ-ND1 3.51Å; M56-H60 WeakPolarHBondContact O-CB 3.2Å; M56-H60 PolarHBondContact O-N 3.41Å; L57-H60 WeakPolarHBondContact O-CB 3.28Å; L57-H60 PolarHBondContact O-N 3.41Å; L57-H60 VanDerWaalsContact O-N 3.15Å; T58-H60 VanDerWaalsContact C-N 3.29Å; T58-H60 PolarHBondContact O-N 3.26Å; H60-Q62 PolarHBondContact O-N 2.9Å; H60-G63 WeakPolarHBondContact O-CA 3.39Å; H60-G63 PolarHBondContact O-N 3.41Å; H60-H66 AromaticContact CD2-ND1 3.83Å; H60-H66 AromaticContact NE2-ND1 3.62Å; H60-H66 VanDerWaalsContact O-CB 3.25Å; H60-H66 WeakPolarHBondContact O-CB 3.24Å |
| 61 | R | 90.1 | Very high | 90.5 | Very high | 59 Ų | 59 | 79.2 Ų | 79.2 | 22% | 0.223 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.1 | -35.5 | 178.5 | -71.2 | 168.9 | 72.4 | -166.2 | 2.5 | 112.1 | F26 E31 L57 T58 V59 G63 H66 | F26-R61 PolarHBondContact O-NH1 2.92Å; E31-R61 IonicContact OE2-CZ 3.81Å; E31-R61 IonicContact OE2-NE 2.67Å; E31-R61 PolarHBondContact OE2-NE 3.49Å; E31-R61 VanDerWaalsContact OE2-NE 3.13Å; E31-R61 IonicContact OE2-NH2 3.6Å; E31-R61 PolarHBondContact OE2-NH2 3.48Å; L57-R61 HydrophobicContact CD1-CG 4.46Å; L57-R61 HydrophobicContact CG-CG 4.45Å; L57-R61 VanDerWaalsContact O-CG 3.31Å; L57-R61 WeakPolarHBondContact O-CG 3.41Å; L57-R61 PolarHBondContact O-N 3.35Å; T58-R61 PolarHBondContact O-N 2.92Å; V59-R61 PolarHBondContact O-N 3.15Å; R61-G63 PolarHBondContact O-N 2.94Å; R61-H66 PolarHBondContact O-CD2 3.48Å |
| 62 | Q | 88.8 | Confident | 90.5 | Very high | 143 Ų | 143 | 80.3 Ų | 80.3 | 67% | 0.668 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -5.1 | 176.3 | -63.7 | 167 | 13.8 | 0 | 0 | 112.8 | T58 V59 H60 | T58-Q62 PolarHBondContact O-N 2.86Å; V59-Q62 PolarHBondContact O-N 3.45Å; H60-Q62 PolarHBondContact O-N 2.9Å |
| 63 | G | 91.9 | Very high | 90.6 | Very high | 27 Ų | 27 | 78.9 Ų | 78.9 | 28% | 0.278 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -73.9 | 144.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | V59 H60 R61 K65 H66 L67 | V59-G63 PolarHBondContact O-N 2.87Å; H60-G63 WeakPolarHBondContact O-CA 3.39Å; H60-G63 PolarHBondContact O-N 3.41Å; R61-G63 PolarHBondContact O-N 2.94Å; G63-K65 VanDerWaalsContact C-N 3.33Å; G63-K65 PolarHBondContact O-N 3.03Å; G63-H66 WeakPolarHBondContact O-CB 3.47Å; G63-H66 PolarHBondContact O-N 3.28Å; G63-L67 PolarHBondContact O-N 3.08Å |
| 64 | K | 93.4 | Very high | 90.7 | Very high | 176 Ų | 176 | 79.9 Ų | 79.9 | 77% | 0.765 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -53.7 | -44.1 | -178.8 | -174.3 | 178.6 | 179.3 | -178.5 | 0 | 113.9 | H66 L67 E68 | K64-H66 VanDerWaalsContact C-N 3.29Å; K64-H66 PolarHBondContact O-N 3.41Å; K64-L67 PolarHBondContact O-N 3.3Å; K64-E68 WeakPolarHBondContact O-CB 3.49Å; K64-E68 PolarHBondContact O-N 3.37Å |
| 65 | K | 92.1 | Very high | 91.1 | Very high | 181 Ų | 181 | 80.6 Ų | 80.6 | 79% | 0.787 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -61.9 | -38.7 | 178.9 | -68.5 | -177.8 | 178.8 | 178.4 | 0 | 111.9 | G63 G69 | G63-K65 VanDerWaalsContact C-N 3.33Å; G63-K65 PolarHBondContact O-N 3.03Å; K65-G69 PolarHBondContact O-N 3.44Å; K65-G69 VanDerWaalsContact O-N 3.09Å |
| 66 | H | 93.6 | Very high | 91.4 | Very high | 3 Ų | 3 | 82.4 Ų | 82.4 | 1% | 0.014 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -67.7 | -50.6 | 177 | -179.5 | 92.7 | 0 | 0 | 0 | 110.4 | C42 H60 R61 G63 K64 E68 G69 L70 | C42-H66 PolarHBondContact SG-ND1 3.08Å; H60-H66 AromaticContact CD2-ND1 3.83Å; H60-H66 AromaticContact NE2-ND1 3.62Å; H60-H66 VanDerWaalsContact O-CB 3.25Å; H60-H66 WeakPolarHBondContact O-CB 3.24Å; R61-H66 PolarHBondContact O-CD2 3.48Å; G63-H66 WeakPolarHBondContact O-CB 3.47Å; G63-H66 PolarHBondContact O-N 3.28Å; K64-H66 VanDerWaalsContact C-N 3.29Å; K64-H66 PolarHBondContact O-N 3.41Å; H66-E68 VanDerWaalsContact C-N 3.32Å; H66-E68 PolarHBondContact O-N 2.89Å; H66-G69 CarbonylContact O-C 3.5Å; H66-G69 WeakPolarHBondContact O-CA 3.44Å; H66-G69 PolarHBondContact O-N 2.86Å; H66-G69 VanDerWaalsContact O-N 3.1Å; H66-L70 WeakPolarHBondContact O-CB 3.45Å; H66-L70 PolarHBondContact O-N 3.06Å |
| 67 | L | 91.6 | Very high | 91.5 | Very high | 91 Ų | 91 | 81 Ų | 81 | 48% | 0.476 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.6 | -39.7 | -179.6 | -64 | 178.1 | 0 | 0 | 0 | 113.1 | G63 K64 L70 K71 | G63-L67 PolarHBondContact O-N 3.08Å; K64-L67 PolarHBondContact O-N 3.3Å; L67-L70 WeakPolarHBondContact O-CB 3.48Å; L67-L70 PolarHBondContact O-N 3.27Å; L67-K71 PolarHBondContact O-N 2.92Å |
| 68 | E | 93.4 | Very high | 91.7 | Very high | 136 Ų | 136 | 83.3 Ų | 83.3 | 64% | 0.636 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -65.4 | -44.8 | 174.4 | -174.4 | 173.9 | -174.6 | 0 | 0 | 111.6 | K64 H66 L70 K71 A72 | K64-E68 WeakPolarHBondContact O-CB 3.49Å; K64-E68 PolarHBondContact O-N 3.37Å; H66-E68 VanDerWaalsContact C-N 3.32Å; H66-E68 PolarHBondContact O-N 2.89Å; E68-L70 VanDerWaalsContact C-N 3.27Å; E68-L70 PolarHBondContact O-N 3.47Å; E68-K71 PolarHBondContact O-N 2.98Å; E68-A72 PolarHBondContact O-N 3.24Å; E68-A72 VanDerWaalsContact O-N 3.07Å |
| 69 | G | 91.6 | Very high | 92.1 | Very high | 19 Ų | 19 | 87.8 Ų | 87.8 | 20% | 0.196 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -58.7 | -39 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K65 H66 A72 F73 | K65-G69 PolarHBondContact O-N 3.44Å; K65-G69 VanDerWaalsContact O-N 3.09Å; H66-G69 CarbonylContact O-C 3.5Å; H66-G69 WeakPolarHBondContact O-CA 3.44Å; H66-G69 PolarHBondContact O-N 2.86Å; H66-G69 VanDerWaalsContact O-N 3.1Å; G69-A72 PolarHBondContact O-N 2.89Å; G69-F73 VanDerWaalsContact O-CB 3.24Å; G69-F73 WeakPolarHBondContact O-CB 3.43Å; G69-F73 PolarHBondContact O-N 2.94Å |
| 70 | L | 91.6 | Very high | 92.3 | Very high | 31 Ų | 31 | 87.2 Ų | 87.2 | 16% | 0.162 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -65 | -48.5 | -178.7 | -162.1 | 70.9 | 0 | 0 | 0 | 110.5 | E31 V44 H66 L67 E68 A72 F73 Y74 | E31-L70 HydrophobicContact CG-CD1 3.93Å; V44-L70 HydrophobicContact CB-CD1 4.35Å; V44-L70 VanDerWaalsContact CG1-CA 3.4Å; V44-L70 HydrophobicContact CG1-CB 3.9Å; V44-L70 HydrophobicContact CG1-CD1 3.83Å; V44-L70 HydrophobicContact CG2-CD1 3.63Å; H66-L70 WeakPolarHBondContact O-CB 3.45Å; H66-L70 PolarHBondContact O-N 3.06Å; L67-L70 WeakPolarHBondContact O-CB 3.48Å; L67-L70 PolarHBondContact O-N 3.27Å; E68-L70 VanDerWaalsContact C-N 3.27Å; E68-L70 PolarHBondContact O-N 3.47Å; L70-A72 VanDerWaalsContact C-N 3.3Å; L70-A72 PolarHBondContact O-N 3.28Å; L70-F73 PolarHBondContact O-N 3.44Å; L70-Y74 HydrophobicContact CD1-CD2 3.98Å; L70-Y74 HydrophobicContact CD1-CE2 3.41Å; L70-Y74 VanDerWaalsContact CD1-CE2 3.41Å; L70-Y74 HydrophobicContact CD2-CE2 4.43Å; L70-Y74 HydrophobicContact CG-CD2 3.82Å; L70-Y74 HydrophobicContact CG-CE2 3.66Å; L70-Y74 WeakPolarHBondContact O-CD2 3.24Å; L70-Y74 PolarHBondContact O-N 3.39Å |
| 71 | K | 91.9 | Very high | 92.4 | Very high | 178 Ų | 178 | 91.8 Ų | 91.8 | 77% | 0.774 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -58.5 | -43.6 | 174.9 | -174.3 | 178 | -178.7 | 178.1 | 0 | 111.4 | L67 E68 G75 | L67-K71 PolarHBondContact O-N 2.92Å; E68-K71 PolarHBondContact O-N 2.98Å; K71-G75 WeakPolarHBondContact O-CA 3.26Å; K71-G75 PolarHBondContact O-N 3.04Å |
| 72 | A | 91.4 | Very high | 92.6 | Very high | 50 Ų | 50 | 94.4 Ų | 94.4 | 41% | 0.413 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.8 | -41.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | E68 G69 L70 G75 K76 | E68-A72 PolarHBondContact O-N 3.24Å; E68-A72 VanDerWaalsContact O-N 3.07Å; G69-A72 PolarHBondContact O-N 2.89Å; L70-A72 VanDerWaalsContact C-N 3.3Å; L70-A72 PolarHBondContact O-N 3.28Å; A72-G75 PolarHBondContact O-N 3.03Å; A72-K76 WeakPolarHBondContact O-CB 3.5Å; A72-K76 VanDerWaalsContact O-CG 3.28Å; A72-K76 WeakPolarHBondContact O-CG 3.43Å; A72-K76 PolarHBondContact O-N 3.42Å |
| 73 | F | 91.7 | Very high | 93.1 | Very high | 77 Ų | 77 | 92.3 Ų | 92.3 | 34% | 0.338 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.8 | -52.9 | -179.3 | -178.6 | -102.5 | 0 | 0 | 0 | 111.4 | G69 L70 G75 K76 K77 | G69-F73 VanDerWaalsContact O-CB 3.24Å; G69-F73 WeakPolarHBondContact O-CB 3.43Å; G69-F73 PolarHBondContact O-N 2.94Å; L70-F73 PolarHBondContact O-N 3.44Å; F73-G75 VanDerWaalsContact C-N 3.34Å; F73-G75 PolarHBondContact O-N 2.65Å; F73-K76 PolarHBondContact O-N 3.09Å; F73-K77 PolarHBondContact O-N 3.23Å |
| 74 | Y | 90.7 | Very high | 93.3 | Very high | 82 Ų | 82 | 94.4 Ų | 94.4 | 32% | 0.322 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -69.5 | -32.9 | 176.9 | -71.3 | -65.1 | 0 | 0 | 0 | 112.6 | L70 K76 K77 A78 | L70-Y74 HydrophobicContact CD1-CD2 3.98Å; L70-Y74 HydrophobicContact CD1-CE2 3.41Å; L70-Y74 VanDerWaalsContact CD1-CE2 3.41Å; L70-Y74 HydrophobicContact CD2-CE2 4.43Å; L70-Y74 HydrophobicContact CG-CD2 3.82Å; L70-Y74 HydrophobicContact CG-CE2 3.66Å; L70-Y74 WeakPolarHBondContact O-CD2 3.24Å; L70-Y74 PolarHBondContact O-N 3.39Å; Y74-K76 VanDerWaalsContact C-N 3.31Å; Y74-K76 PolarHBondContact O-N 3.42Å; Y74-K77 HydrophobicContact CD1-CD 4.3Å; Y74-K77 PolarHBondContact O-N 3.29Å; Y74-A78 WeakPolarHBondContact O-CB 3.39Å; Y74-A78 PolarHBondContact O-N 2.9Å |
| 75 | G | 92.8 | Very high | 93.4 | Very high | 30 Ų | 30 | 89.3 Ų | 89.3 | 31% | 0.309 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.7 | -42.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K71 A72 F73 K79 | K71-G75 WeakPolarHBondContact O-CA 3.26Å; K71-G75 PolarHBondContact O-N 3.04Å; A72-G75 PolarHBondContact O-N 3.03Å; F73-G75 VanDerWaalsContact C-N 3.34Å; F73-G75 PolarHBondContact O-N 2.65Å; G75-K79 VanDerWaalsContact O-CG 3.26Å; G75-K79 WeakPolarHBondContact O-CG 3.41Å; G75-K79 PolarHBondContact O-N 3.34Å; G75-K79 VanDerWaalsContact O-N 3.1Å |
| 76 | K | 92.1 | Very high | 93.6 | Very high | 153 Ų | 153 | 86.9 Ų | 86.9 | 67% | 0.665 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -68.3 | -44.5 | 174.1 | -71.8 | 171.7 | -175.7 | 179.6 | 0 | 112 | A72 F73 Y74 A78 K79 L80 | A72-K76 WeakPolarHBondContact O-CB 3.5Å; A72-K76 VanDerWaalsContact O-CG 3.28Å; A72-K76 WeakPolarHBondContact O-CG 3.43Å; A72-K76 PolarHBondContact O-N 3.42Å; F73-K76 PolarHBondContact O-N 3.09Å; Y74-K76 VanDerWaalsContact C-N 3.31Å; Y74-K76 PolarHBondContact O-N 3.42Å; K76-A78 VanDerWaalsContact C-N 3.32Å; K76-A78 PolarHBondContact O-N 3.47Å; K76-K79 PolarHBondContact O-N 3.47Å; K76-L80 WeakPolarHBondContact O-CB 3.4Å; K76-L80 PolarHBondContact O-N 3.28Å |
| 77 | K | 91.8 | Very high | 93.7 | Very high | 74 Ų | 74 | 93 Ų | 93 | 32% | 0.322 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.2 | -43.5 | 177.2 | -171 | 171.4 | 179.7 | 171 | 0 | 111.3 | D30 F73 Y74 K81 | D30-K77 IonicContact OD1-NZ 3.59Å; D30-K77 IonicContact OD2-NZ 2.85Å; D30-K77 PolarHBondContact OD2-NZ 3.09Å; F73-K77 PolarHBondContact O-N 3.23Å; Y74-K77 HydrophobicContact CD1-CD 4.3Å; Y74-K77 PolarHBondContact O-N 3.29Å; K77-K81 WeakPolarHBondContact O-CG 3.47Å; K77-K81 PolarHBondContact O-N 3.32Å |
| 78 | A | 93.6 | Very high | 93.9 | Very high | 49 Ų | 49 | 94.5 Ų | 94.5 | 41% | 0.405 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.2 | -45.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y74 K76 L80 K81 N82 | Y74-A78 WeakPolarHBondContact O-CB 3.39Å; Y74-A78 PolarHBondContact O-N 2.9Å; K76-A78 VanDerWaalsContact C-N 3.32Å; K76-A78 PolarHBondContact O-N 3.47Å; A78-L80 VanDerWaalsContact C-N 3.34Å; A78-L80 PolarHBondContact O-N 3.22Å; A78-K81 PolarHBondContact O-N 3.06Å; A78-N82 PolarHBondContact O-N 3.01Å |
| 79 | K | 95 | Very high | 94.1 | Very high | 143 Ų | 143 | 93.4 Ų | 93.4 | 62% | 0.622 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -57.8 | -46.5 | 175.5 | -75.5 | 175.9 | -177.8 | -172.1 | 0 | 111.9 | G75 K76 K81 N82 E83 | G75-K79 VanDerWaalsContact O-CG 3.26Å; G75-K79 WeakPolarHBondContact O-CG 3.41Å; G75-K79 PolarHBondContact O-N 3.34Å; G75-K79 VanDerWaalsContact O-N 3.1Å; K76-K79 PolarHBondContact O-N 3.47Å; K79-K81 PolarHBondContact O-N 3.31Å; K79-N82 PolarHBondContact O-N 2.92Å; K79-E83 WeakPolarHBondContact O-CG 3.44Å; K79-E83 PolarHBondContact O-N 3.41Å |
| 80 | L | 95.4 | Very high | 94.2 | Very high | 93 Ų | 93 | 96.4 Ų | 96.4 | 49% | 0.487 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 178.3 | -178.5 | 62.7 | 0 | 0 | 0 | 111.7 | K76 A78 N82 E83 I84 | K76-L80 WeakPolarHBondContact O-CB 3.4Å; K76-L80 PolarHBondContact O-N 3.28Å; A78-L80 VanDerWaalsContact C-N 3.34Å; A78-L80 PolarHBondContact O-N 3.22Å; L80-N82 VanDerWaalsContact C-N 3.33Å; L80-N82 PolarHBondContact O-N 2.97Å; L80-E83 PolarHBondContact O-N 3.41Å; L80-I84 HydrophobicContact CD1-CD1 4.16Å; L80-I84 HydrophobicContact CD1-CG1 4.36Å; L80-I84 HydrophobicContact CG-CD1 3.88Å; L80-I84 HydrophobicContact CG-CG1 4.5Å; L80-I84 VanDerWaalsContact O-CG1 3.25Å; L80-I84 WeakPolarHBondContact O-CG1 3.24Å; L80-I84 PolarHBondContact O-N 3.45Å |
| 81 | K | 95.4 | Very high | 94.3 | Very high | 132 Ų | 132 | 99.6 Ų | 99.6 | 57% | 0.574 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -58.7 | -44 | 175.1 | -75.8 | -177.2 | 176.5 | -168.7 | 0 | 112.1 | K77 A78 K79 I84 S85 | K77-K81 WeakPolarHBondContact O-CG 3.47Å; K77-K81 PolarHBondContact O-N 3.32Å; A78-K81 PolarHBondContact O-N 3.06Å; K79-K81 PolarHBondContact O-N 3.31Å; K81-I84 PolarHBondContact O-N 2.86Å; K81-S85 WeakPolarHBondContact O-CB 3.49Å; K81-S85 PolarHBondContact O-N 2.96Å |
| 82 | N | 95.9 | Very high | 94.4 | Very high | 115 Ų | 115 | 97.2 Ų | 97.2 | 62% | 0.615 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.1 | -42.3 | 177.3 | -70.6 | -18.8 | 0 | 0 | 0 | 112 | A78 K79 L80 S85 K86 | A78-N82 PolarHBondContact O-N 3.01Å; K79-N82 PolarHBondContact O-N 2.92Å; L80-N82 VanDerWaalsContact C-N 3.33Å; L80-N82 PolarHBondContact O-N 2.97Å; N82-S85 PolarHBondContact O-N 3.41Å; N82-K86 WeakPolarHBondContact O-CB 3.24Å; N82-K86 PolarHBondContact O-N 2.91Å |
| 83 | E | 97.4 | Very high | 94.3 | Very high | 99 Ų | 99 | 98.4 Ų | 98.4 | 46% | 0.463 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 175.7 | -74.5 | -179.9 | -162 | 0 | 0 | 112.3 | K79 L80 K86 R87 | K79-E83 WeakPolarHBondContact O-CG 3.44Å; K79-E83 PolarHBondContact O-N 3.41Å; L80-E83 PolarHBondContact O-N 3.41Å; E83-K86 PolarHBondContact O-N 3.33Å; E83-R87 WeakPolarHBondContact O-CG 3.48Å; E83-R87 PolarHBondContact O-N 2.96Å; E83-R87 IonicContact OE2-NH2 3.22Å; E83-R87 PolarHBondContact OE2-NH2 3.01Å |
| 84 | I | 96.5 | Very high | 94.2 | Very high | 71 Ų | 71 | 99.4 Ų | 99.4 | 36% | 0.364 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.5 | -48.8 | 175.6 | -69.2 | 165.6 | 0 | 0 | 0 | 109.8 | L80 K81 K86 R87 Q88 | L80-I84 HydrophobicContact CD1-CD1 4.16Å; L80-I84 HydrophobicContact CD1-CG1 4.36Å; L80-I84 HydrophobicContact CG-CD1 3.88Å; L80-I84 HydrophobicContact CG-CG1 4.5Å; L80-I84 VanDerWaalsContact O-CG1 3.25Å; L80-I84 WeakPolarHBondContact O-CG1 3.24Å; L80-I84 PolarHBondContact O-N 3.45Å; K81-I84 PolarHBondContact O-N 2.86Å; I84-K86 VanDerWaalsContact C-N 3.32Å; I84-K86 PolarHBondContact O-N 3.44Å; I84-R87 PolarHBondContact O-N 3.42Å; I84-Q88 HydrophobicContact CG2-CG 4.33Å; I84-Q88 WeakPolarHBondContact O-CB 3.3Å; I84-Q88 VanDerWaalsContact O-CG 3.28Å; I84-Q88 WeakPolarHBondContact O-CG 3.36Å; I84-Q88 PolarHBondContact O-N 2.91Å |
| 85 | S | 96 | Very high | 94 | Very high | 68 Ų | 68 | 98.1 Ų | 98.1 | 48% | 0.476 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 178.1 | 179.7 | 0 | 0 | 0 | 0 | 111.7 | K81 N82 Q88 H89 | K81-S85 WeakPolarHBondContact O-CB 3.49Å; K81-S85 PolarHBondContact O-N 2.96Å; N82-S85 PolarHBondContact O-N 3.41Å; S85-Q88 PolarHBondContact O-N 2.81Å; S85-H89 PolarHBondContact O-N 2.85Å |
| 86 | K | 96.2 | Very high | 93.5 | Very high | 130 Ų | 130 | 100 Ų | 100 | 57% | 0.565 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.6 | -48.2 | 175 | -179.8 | 176.3 | 170.8 | 178.6 | 0 | 111.8 | N82 E83 I84 Q88 H89 E90 | N82-K86 WeakPolarHBondContact O-CB 3.24Å; N82-K86 PolarHBondContact O-N 2.91Å; E83-K86 PolarHBondContact O-N 3.33Å; I84-K86 VanDerWaalsContact C-N 3.32Å; I84-K86 PolarHBondContact O-N 3.44Å; K86-Q88 VanDerWaalsContact C-N 3.32Å; K86-Q88 PolarHBondContact O-N 2.67Å; K86-H89 PolarHBondContact O-N 3.42Å; K86-E90 WeakPolarHBondContact CE-OE1 3.32Å; K86-E90 IonicContact NZ-OE1 3.13Å; K86-E90 WeakPolarHBondContact O-CG 3.35Å; K86-E90 PolarHBondContact O-N 3.29Å |
| 87 | R | 96.5 | Very high | 92.7 | Very high | 132 Ų | 132 | 98.4 Ų | 98.4 | 50% | 0.498 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.2 | -37.8 | 177.8 | -70.6 | -177.8 | -139.4 | 157.6 | 5 | 112.1 | E83 I84 E90 N91 | E83-R87 WeakPolarHBondContact O-CG 3.48Å; E83-R87 PolarHBondContact O-N 2.96Å; E83-R87 IonicContact OE2-NH2 3.22Å; E83-R87 PolarHBondContact OE2-NH2 3.01Å; I84-R87 PolarHBondContact O-N 3.42Å; R87-E90 PolarHBondContact O-N 2.94Å; R87-N91 WeakPolarHBondContact O-CB 3.12Å; R87-N91 VanDerWaalsContact O-CG 3.27Å; R87-N91 PolarHBondContact O-N 3.43Å; R87-N91 PolarHBondContact O-ND2 2.95Å; R87-N91 VanDerWaalsContact O-ND2 3.09Å |
| 88 | Q | 95.9 | Very high | 91.7 | Very high | 122 Ų | 122 | 104.5 Ų | 104.5 | 57% | 0.57 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.2 | -45.5 | 174.8 | -75.1 | 172.6 | -21.5 | 0 | 0 | 111.1 | I84 S85 K86 N91 Y92 | I84-Q88 HydrophobicContact CG2-CG 4.33Å; I84-Q88 WeakPolarHBondContact O-CB 3.3Å; I84-Q88 VanDerWaalsContact O-CG 3.28Å; I84-Q88 WeakPolarHBondContact O-CG 3.36Å; I84-Q88 PolarHBondContact O-N 2.91Å; S85-Q88 PolarHBondContact O-N 2.81Å; K86-Q88 VanDerWaalsContact C-N 3.32Å; K86-Q88 PolarHBondContact O-N 2.67Å; Q88-N91 PolarHBondContact O-N 3.29Å; Q88-Y92 WeakPolarHBondContact O-CB 3.38Å; Q88-Y92 PolarHBondContact O-N 3.1Å |
| 89 | H | 96.1 | Very high | 90.3 | Very high | 113 Ų | 113 | 110.2 Ų | 110.2 | 52% | 0.523 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 175.7 | 179.2 | 64.1 | 0 | 0 | 0 | 112.1 | S85 K86 N91 Y92 I93 | S85-H89 PolarHBondContact O-N 2.85Å; K86-H89 PolarHBondContact O-N 3.42Å; H89-N91 VanDerWaalsContact C-N 3.34Å; H89-N91 PolarHBondContact O-N 3Å; H89-Y92 WeakPolarHBondContact O-CB 3.34Å; H89-Y92 PolarHBondContact O-N 3.08Å; H89-Y92 VanDerWaalsContact O-N 3.15Å; H89-I93 WeakPolarHBondContact O-CG1 3.49Å; H89-I93 PolarHBondContact O-N 2.85Å |
| 90 | E | 94.6 | Very high | 88.4 | Confident | 82 Ų | 82 | 109.4 Ų | 109.4 | 38% | 0.383 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.9 | -43.1 | 176.3 | -74.1 | 171.8 | 173.8 | 0 | 0 | 111.8 | K86 R87 Y92 I93 Q94 | K86-E90 WeakPolarHBondContact CE-OE1 3.32Å; K86-E90 IonicContact NZ-OE1 3.13Å; K86-E90 WeakPolarHBondContact O-CG 3.35Å; K86-E90 PolarHBondContact O-N 3.29Å; R87-E90 PolarHBondContact O-N 2.94Å; E90-Y92 VanDerWaalsContact C-N 3.34Å; E90-I93 PolarHBondContact O-N 3.37Å; E90-Q94 WeakPolarHBondContact O-CB 3.26Å; E90-Q94 VanDerWaalsContact O-CG 3.24Å; E90-Q94 WeakPolarHBondContact O-CG 3.37Å; E90-Q94 PolarHBondContact O-N 3.37Å |
| 91 | N | 93.6 | Very high | 86.3 | Confident | 98 Ų | 98 | 110.1 Ų | 110.1 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.3 | -38.5 | 175.1 | -77.8 | -37.1 | 0 | 0 | 0 | 112.2 | R87 Q88 H89 Q94 S95 | R87-N91 WeakPolarHBondContact O-CB 3.12Å; R87-N91 VanDerWaalsContact O-CG 3.27Å; R87-N91 PolarHBondContact O-N 3.43Å; R87-N91 PolarHBondContact O-ND2 2.95Å; R87-N91 VanDerWaalsContact O-ND2 3.09Å; Q88-N91 PolarHBondContact O-N 3.29Å; H89-N91 VanDerWaalsContact C-N 3.34Å; H89-N91 PolarHBondContact O-N 3Å; N91-Q94 PolarHBondContact O-N 2.94Å; N91-S95 VanDerWaalsContact O-CB 3.29Å; N91-S95 WeakPolarHBondContact O-CB 3.31Å; N91-S95 PolarHBondContact O-N 3.01Å; N91-S95 PolarHBondContact O-OG 2.83Å |
| 92 | Y | 93.4 | Very high | 84.2 | Confident | 128 Ų | 128 | 108.5 Ų | 108.5 | 50% | 0.502 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.4 | -51.7 | 175.6 | 177.1 | -94 | 0 | 0 | 0 | 110.7 | Q88 H89 E90 Q94 S95 E96 | Q88-Y92 WeakPolarHBondContact O-CB 3.38Å; Q88-Y92 PolarHBondContact O-N 3.1Å; H89-Y92 WeakPolarHBondContact O-CB 3.34Å; H89-Y92 PolarHBondContact O-N 3.08Å; H89-Y92 VanDerWaalsContact O-N 3.15Å; E90-Y92 VanDerWaalsContact C-N 3.34Å; Y92-Q94 PolarHBondContact O-N 2.95Å; Y92-S95 PolarHBondContact O-N 3.36Å; Y92-S95 VanDerWaalsContact O-N 3.08Å; Y92-S95 PolarHBondContact O-OG 2.85Å; Y92-E96 HydrophobicContact CD1-CG 4.49Å; Y92-E96 HydrophobicContact CE1-CG 3.98Å; Y92-E96 WeakPolarHBondContact CE1-OE2 3.47Å; Y92-E96 VanDerWaalsContact CZ-CD 3.41Å; Y92-E96 PolarHBondContact O-N 3.32Å; Y92-E96 VanDerWaalsContact OH-CD 3.28Å; Y92-E96 PolarHBondContact OH-OE1 3.29Å |
| 93 | I | 89.3 | Confident | 82 | Confident | 75 Ų | 75 | 109.1 Ų | 109.1 | 39% | 0.385 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.5 | -43.9 | 177.3 | -62.4 | -62 | 0 | 0 | 0 | 111.5 | H89 E90 S95 E96 E97 | H89-I93 WeakPolarHBondContact O-CG1 3.49Å; H89-I93 PolarHBondContact O-N 2.85Å; E90-I93 PolarHBondContact O-N 3.37Å; I93-S95 VanDerWaalsContact C-N 3.27Å; I93-S95 PolarHBondContact O-N 3Å; I93-E96 PolarHBondContact O-N 2.93Å; I93-E97 WeakPolarHBondContact O-CB 3.28Å; I93-E97 PolarHBondContact O-N 3.23Å |
| 94 | Q | 89.4 | Confident | 80.1 | Confident | 98 Ų | 98 | 108.8 Ų | 108.8 | 46% | 0.458 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.4 | -34.4 | 175.9 | -75.2 | 175.5 | 30.9 | 0 | 0 | 112.4 | E90 N91 Y92 R98 | E90-Q94 WeakPolarHBondContact O-CB 3.26Å; E90-Q94 VanDerWaalsContact O-CG 3.24Å; E90-Q94 WeakPolarHBondContact O-CG 3.37Å; E90-Q94 PolarHBondContact O-N 3.37Å; N91-Q94 PolarHBondContact O-N 2.94Å; Y92-Q94 PolarHBondContact O-N 2.95Å; Q94-R98 VanDerWaalsContact O-CB 3.25Å; Q94-R98 WeakPolarHBondContact O-CB 3.37Å; Q94-R98 PolarHBondContact O-N 3.14Å |
| 95 | S | 86.8 | Confident | 78.1 | Confident | 56 Ų | 56 | 109 Ų | 109 | 39% | 0.392 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -70.4 | -40.5 | 175.5 | 74.4 | 0 | 0 | 0 | 0 | 111.4 | N91 Y92 I93 R98 Q99 | N91-S95 VanDerWaalsContact O-CB 3.29Å; N91-S95 WeakPolarHBondContact O-CB 3.31Å; N91-S95 PolarHBondContact O-N 3.01Å; N91-S95 PolarHBondContact O-OG 2.83Å; Y92-S95 PolarHBondContact O-N 3.36Å; Y92-S95 VanDerWaalsContact O-N 3.08Å; Y92-S95 PolarHBondContact O-OG 2.85Å; I93-S95 VanDerWaalsContact C-N 3.27Å; I93-S95 PolarHBondContact O-N 3Å; S95-R98 PolarHBondContact O-N 2.82Å; S95-Q99 WeakPolarHBondContact O-CB 3.35Å; S95-Q99 WeakPolarHBondContact O-CG 3.44Å; S95-Q99 PolarHBondContact O-N 2.74Å |
| 96 | E | 82.4 | Confident | 76.5 | Confident | 70 Ų | 70 | 107.8 Ų | 107.8 | 33% | 0.327 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.6 | -45.4 | 173.4 | -73.4 | -170.9 | 131.2 | 0 | 0 | 111.8 | Y92 I93 R98 Q99 Q100 | Y92-E96 HydrophobicContact CD1-CG 4.49Å; Y92-E96 HydrophobicContact CE1-CG 3.98Å; Y92-E96 WeakPolarHBondContact CE1-OE2 3.47Å; Y92-E96 VanDerWaalsContact CZ-CD 3.41Å; Y92-E96 PolarHBondContact O-N 3.32Å; Y92-E96 VanDerWaalsContact OH-CD 3.28Å; Y92-E96 PolarHBondContact OH-OE1 3.29Å; I93-E96 PolarHBondContact O-N 2.93Å; E96-R98 VanDerWaalsContact C-N 3.28Å; E96-R98 PolarHBondContact O-N 3.12Å; E96-Q99 PolarHBondContact O-N 3.01Å; E96-Q100 VanDerWaalsContact O-CB 3.32Å; E96-Q100 WeakPolarHBondContact O-CB 3.34Å; E96-Q100 PolarHBondContact O-N 3.5Å |
| 97 | E | 75.5 | Confident | 75 | Confident | 118 Ų | 118 | 105.8 Ų | 105.8 | 55% | 0.551 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.5 | -39.9 | 176.3 | -174.9 | 178.8 | -160.2 | 0 | 0 | 111.2 | I93 Q100 | I93-E97 WeakPolarHBondContact O-CB 3.28Å; I93-E97 PolarHBondContact O-N 3.23Å; E97-Q100 PolarHBondContact O-N 2.9Å |
| 98 | R | 71.3 | Confident | 73.6 | Confident | 202 Ų | 202 | 105.7 Ų | 105.7 | 76% | 0.762 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -73.3 | -32.4 | 177.6 | -167.8 | -175.6 | -62.1 | -98.7 | 0.6 | 113 | Q94 S95 E96 Q100 | Q94-R98 VanDerWaalsContact O-CB 3.25Å; Q94-R98 WeakPolarHBondContact O-CB 3.37Å; Q94-R98 PolarHBondContact O-N 3.14Å; S95-R98 PolarHBondContact O-N 2.82Å; E96-R98 VanDerWaalsContact C-N 3.28Å; E96-R98 PolarHBondContact O-N 3.12Å; R98-Q100 VanDerWaalsContact C-N 3.32Å |
| 99 | Q | 64.3 | Low | 72.5 | Confident | 169 Ų | 169 | 105.7 Ų | 105.7 | 79% | 0.79 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -76.9 | -19.4 | 174.8 | -67.7 | -74.4 | -7.5 | 0 | 0 | 112.1 | S95 E96 | S95-Q99 WeakPolarHBondContact O-CB 3.35Å; S95-Q99 WeakPolarHBondContact O-CG 3.44Å; S95-Q99 PolarHBondContact O-N 2.74Å; E96-Q99 PolarHBondContact O-N 3.01Å |
| 100 | Q | 55.2 | Low | 71.4 | Confident | 126 Ų | 126 | 103.2 Ų | 103.2 | 59% | 0.589 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 6.7 | -178.2 | -87.4 | 172.3 | 9.9 | 0 | 0 | 116.4 | E96 E97 R98 | E96-Q100 VanDerWaalsContact O-CB 3.32Å; E96-Q100 WeakPolarHBondContact O-CB 3.34Å; E96-Q100 PolarHBondContact O-N 3.5Å; E97-Q100 PolarHBondContact O-N 2.9Å; R98-Q100 VanDerWaalsContact C-N 3.32Å |
| 101 | E | 51.6 | Low | 70.5 | Confident | 109 Ų | 109 | 105.9 Ų | 105.9 | 51% | 0.509 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -123.4 | 122.5 | 174.6 | -90.3 | -73.6 | 136.2 | 0 | 0 | 111.3 | ||
| 102 | P | 50.3 | Low | 70 | Confident | 97 Ų | 97 | 104.6 Ų | 104.6 | 63% | 0.63 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -135.3 | 52.9 | 22.1 | 41.2 | -21 | 0 | 0 | 0 | 114 | ||
| 103 | S | 50.4 | Low | 69.5 | Low | 129 Ų | 129 | 105.3 Ų | 105.3 | 90% | 0.902 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -10.1 | 172.5 | -73.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 104 | S | 56.5 | Low | 69 | Low | 91 Ų | 91 | 108.2 Ų | 108.2 | 64% | 0.636 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -136.3 | 55.3 | 174.6 | 62.7 | 0 | 0 | 0 | 0 | 111.1 | A106 | S104-A106 PolarHBondContact O-N 2.96Å; S104-A106 VanDerWaalsContact O-N 3.14Å |
| 105 | S | 55.3 | Low | 68.5 | Low | 76 Ų | 76 | 109.7 Ų | 109.7 | 53% | 0.531 | 58% | 0.583 | S | S | . | * | trans | -73.8 | 103.9 | -174.9 | 67.8 | 0 | 0 | 0 | 0 | 111.4 | P107 | S105-P107 VanDerWaalsContact O-CD 3.26Å; S105-P107 WeakPolarHBondContact O-CD 3.22Å | ||
| 106 | A | 61.3 | Low | 68.2 | Low | 42 Ų | 42 | 110.1 Ų | 110.1 | 35% | 0.347 | 58% | 0.584 | S | S | . | * | trans | -110.5 | 72.8 | 156.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | S104 L108 L109 V110 | S104-A106 PolarHBondContact O-N 2.96Å; S104-A106 VanDerWaalsContact O-N 3.14Å; A106-L108 PolarHBondContact O-N 3.24Å; A106-L108 VanDerWaalsContact O-N 3.08Å; A106-L109 HydrophobicContact CB-CB 4.1Å; A106-L109 HydrophobicContact CB-CD1 3.75Å; A106-L109 HydrophobicContact CB-CG 4.18Å; A106-L109 WeakPolarHBondContact O-CB 3.14Å; A106-L109 PolarHBondContact O-N 3.49Å; A106-V110 PolarHBondContact O-N 3.39Å | ||
| 107 | P | 65.6 | Low | 67.8 | Low | 89 Ų | 89 | 112.4 Ų | 112.4 | 58% | 0.578 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -59.1 | -28.1 | -172.9 | 22.3 | -33 | 0 | 0 | 0 | 112.8 | S105 Q111 | S105-P107 VanDerWaalsContact O-CD 3.26Å; S105-P107 WeakPolarHBondContact O-CD 3.22Å; P107-Q111 WeakPolarHBondContact O-CB 2.94Å; P107-Q111 PolarHBondContact O-N 3.25Å; P107-Q111 VanDerWaalsContact O-N 3.08Å |
| 108 | L | 67.1 | Low | 67.5 | Low | 130 Ų | 130 | 112.6 Ų | 112.6 | 68% | 0.681 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.7 | -37.9 | 174.3 | -158.8 | 83 | 0 | 0 | 0 | 112.3 | A106 Q111 T112 | A106-L108 PolarHBondContact O-N 3.24Å; A106-L108 VanDerWaalsContact O-N 3.08Å; L108-Q111 PolarHBondContact O-N 3.48Å; L108-T112 WeakPolarHBondContact O-CB 3.37Å; L108-T112 PolarHBondContact O-N 3.04Å; L108-T112 PolarHBondContact O-OG1 2.92Å |
| 109 | L | 71.9 | Confident | 67.7 | Low | 122 Ų | 122 | 105.7 Ų | 105.7 | 64% | 0.639 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.7 | -41.6 | 178.8 | -80.8 | 171.2 | 0 | 0 | 0 | 111.1 | A106 T112 Q113 | A106-L109 HydrophobicContact CB-CB 4.1Å; A106-L109 HydrophobicContact CB-CD1 3.75Å; A106-L109 HydrophobicContact CB-CG 4.18Å; A106-L109 WeakPolarHBondContact O-CB 3.14Å; A106-L109 PolarHBondContact O-N 3.49Å; L109-T112 PolarHBondContact O-N 3.21Å; L109-Q113 WeakPolarHBondContact O-CB 3.32Å; L109-Q113 PolarHBondContact O-N 3.29Å |
| 110 | V | 73.9 | Confident | 68 | Low | 61 Ų | 61 | 102.8 Ų | 102.8 | 37% | 0.37 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.7 | -43.2 | 176.1 | 179 | 0 | 0 | 0 | 0 | 111.2 | A106 Q113 K114 | A106-V110 PolarHBondContact O-N 3.39Å; V110-Q113 PolarHBondContact O-N 3.47Å; V110-K114 HydrophobicContact CG1-CD 4.37Å; V110-K114 WeakPolarHBondContact O-CB 3.32Å; V110-K114 WeakPolarHBondContact O-CG 3.5Å; V110-K114 PolarHBondContact O-N 2.92Å |
| 111 | Q | 74.9 | Confident | 68.3 | Low | 137 Ų | 137 | 102.6 Ų | 102.6 | 64% | 0.64 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.8 | -43.1 | 176.5 | -173.5 | 177.9 | -6.7 | 0 | 0 | 111.8 | P107 L108 K114 L115 | P107-Q111 WeakPolarHBondContact O-CB 2.94Å; P107-Q111 PolarHBondContact O-N 3.25Å; P107-Q111 VanDerWaalsContact O-N 3.08Å; L108-Q111 PolarHBondContact O-N 3.48Å; Q111-K114 PolarHBondContact O-N 2.76Å; Q111-L115 WeakPolarHBondContact O-CB 3.47Å; Q111-L115 PolarHBondContact O-N 3.43Å |
| 112 | T | 84.2 | Confident | 68.7 | Low | 72 Ų | 72 | 105 Ų | 105 | 44% | 0.442 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.5 | -44.1 | 177.8 | -49.1 | 0 | 0 | 0 | 0 | 110.6 | L108 L109 K114 L115 T116 | L108-T112 WeakPolarHBondContact O-CB 3.37Å; L108-T112 PolarHBondContact O-N 3.04Å; L108-T112 PolarHBondContact O-OG1 2.92Å; L109-T112 PolarHBondContact O-N 3.21Å; T112-K114 PolarHBondContact O-N 2.89Å; T112-L115 PolarHBondContact O-N 3.25Å; T112-T116 WeakPolarHBondContact O-CB 3.37Å; T112-T116 PolarHBondContact O-N 2.98Å; T112-T116 PolarHBondContact O-OG1 2.78Å |
| 113 | Q | 83.1 | Confident | 69.2 | Low | 142 Ų | 142 | 104.7 Ų | 104.7 | 66% | 0.664 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.9 | -40.7 | 177.8 | -164.5 | 178.6 | 33 | 0 | 0 | 111.9 | L109 V110 T116 H117 | L109-Q113 WeakPolarHBondContact O-CB 3.32Å; L109-Q113 PolarHBondContact O-N 3.29Å; V110-Q113 PolarHBondContact O-N 3.47Å; Q113-T116 PolarHBondContact O-N 2.83Å; Q113-H117 VanDerWaalsContact O-CB 3.26Å; Q113-H117 WeakPolarHBondContact O-CB 3.24Å; Q113-H117 PolarHBondContact O-N 3.22Å |
| 114 | K | 78.4 | Confident | 69.5 | Low | 136 Ų | 136 | 104.5 Ų | 104.5 | 59% | 0.591 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.8 | -43.2 | 173.2 | -78.8 | 178.9 | 177.8 | 173.8 | 0 | 112.3 | V110 Q111 T112 H118 | V110-K114 HydrophobicContact CG1-CD 4.37Å; V110-K114 WeakPolarHBondContact O-CB 3.32Å; V110-K114 WeakPolarHBondContact O-CG 3.5Å; V110-K114 PolarHBondContact O-N 2.92Å; Q111-K114 PolarHBondContact O-N 2.76Å; T112-K114 PolarHBondContact O-N 2.89Å; K114-H118 PolarHBondContact O-N 3.36Å; K114-H118 VanDerWaalsContact O-N 3.1Å |
| 115 | L | 78.3 | Confident | 69.8 | Low | 130 Ų | 130 | 105.2 Ų | 105.2 | 68% | 0.681 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64 | -45.3 | 177.2 | -164.9 | 76.6 | 0 | 0 | 0 | 111.1 | Q111 T112 H118 A119 | Q111-L115 WeakPolarHBondContact O-CB 3.47Å; Q111-L115 PolarHBondContact O-N 3.43Å; T112-L115 PolarHBondContact O-N 3.25Å; L115-H118 PolarHBondContact O-N 3.22Å; L115-A119 WeakPolarHBondContact O-CB 3.41Å; L115-A119 PolarHBondContact O-N 3.47Å |
| 116 | T | 79.7 | Confident | 70.2 | Confident | 65 Ų | 65 | 110 Ų | 110 | 40% | 0.399 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.4 | -44.6 | 177.2 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | T112 Q113 H118 A119 L120 | T112-T116 WeakPolarHBondContact O-CB 3.37Å; T112-T116 PolarHBondContact O-N 2.98Å; T112-T116 PolarHBondContact O-OG1 2.78Å; Q113-T116 PolarHBondContact O-N 2.83Å; T116-H118 VanDerWaalsContact C-N 3.34Å; T116-H118 PolarHBondContact O-N 2.97Å; T116-A119 PolarHBondContact O-N 3.38Å; T116-A119 VanDerWaalsContact O-N 3.15Å; T116-L120 HydrophobicContact CG2-CD1 3.68Å; T116-L120 HydrophobicContact CG2-CG 4.05Å; T116-L120 WeakPolarHBondContact O-CB 3.29Å; T116-L120 VanDerWaalsContact O-CG 3.24Å; T116-L120 WeakPolarHBondContact O-CG 3.49Å; T116-L120 PolarHBondContact O-N 3.45Å |
| 117 | H | 74.3 | Confident | 70.2 | Confident | 118 Ų | 118 | 114.2 Ų | 114.2 | 55% | 0.546 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -59.8 | -44 | 177.4 | -175.9 | -109.6 | 0 | 0 | 0 | 111.8 | Q113 A119 L120 L121 | Q113-H117 VanDerWaalsContact O-CB 3.26Å; Q113-H117 WeakPolarHBondContact O-CB 3.24Å; Q113-H117 PolarHBondContact O-N 3.22Å; H117-A119 VanDerWaalsContact C-N 3.34Å; H117-A119 PolarHBondContact O-N 2.99Å; H117-L120 PolarHBondContact O-N 2.95Å; H117-L121 WeakPolarHBondContact CE1-CD1 3.46Å; H117-L121 WeakPolarHBondContact O-CB 3.48Å; H117-L121 VanDerWaalsContact O-CG 3.28Å; H117-L121 WeakPolarHBondContact O-CG 3.35Å; H117-L121 PolarHBondContact O-N 2.81Å |
| 118 | H | 70.1 | Confident | 69.9 | Low | 121 Ų | 121 | 113.9 Ų | 113.9 | 56% | 0.56 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.6 | -29.8 | 176.6 | -168 | -98.1 | 0 | 0 | 0 | 113.1 | K114 L115 T116 K122 | K114-H118 PolarHBondContact O-N 3.36Å; K114-H118 VanDerWaalsContact O-N 3.1Å; L115-H118 PolarHBondContact O-N 3.22Å; T116-H118 VanDerWaalsContact C-N 3.34Å; T116-H118 PolarHBondContact O-N 2.97Å; H118-K122 PolarHBondContact O-N 3.35Å |
| 119 | A | 76.2 | Confident | 69.4 | Low | 57 Ų | 57 | 112.7 Ų | 112.7 | 47% | 0.471 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -72.9 | -40.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L115 T116 H117 K122 | L115-A119 WeakPolarHBondContact O-CB 3.41Å; L115-A119 PolarHBondContact O-N 3.47Å; T116-A119 PolarHBondContact O-N 3.38Å; T116-A119 VanDerWaalsContact O-N 3.15Å; H117-A119 VanDerWaalsContact C-N 3.34Å; H117-A119 PolarHBondContact O-N 2.99Å; A119-K122 PolarHBondContact O-N 3.1Å |
| 120 | L | 68.8 | Low | 68.7 | Low | 109 Ų | 109 | 114.1 Ų | 114.1 | 57% | 0.571 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -72.8 | -36.8 | 179.2 | -66.8 | 176 | 0 | 0 | 0 | 112.2 | T116 H117 K122 T123 | T116-L120 HydrophobicContact CG2-CD1 3.68Å; T116-L120 HydrophobicContact CG2-CG 4.05Å; T116-L120 WeakPolarHBondContact O-CB 3.29Å; T116-L120 VanDerWaalsContact O-CG 3.24Å; T116-L120 WeakPolarHBondContact O-CG 3.49Å; T116-L120 PolarHBondContact O-N 3.45Å; H117-L120 PolarHBondContact O-N 2.95Å; L120-K122 VanDerWaalsContact C-N 3.28Å; L120-K122 PolarHBondContact O-N 3.36Å; L120-T123 PolarHBondContact O-N 2.9Å; L120-T123 VanDerWaalsContact O-N 3.09Å; L120-T123 PolarHBondContact O-OG1 3.21Å |
| 121 | L | 62.9 | Low | 67.9 | Low | 121 Ų | 121 | 122.4 Ų | 122.4 | 63% | 0.634 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -71.5 | -19 | 176 | -71.4 | 177.2 | 0 | 0 | 0 | 114.1 | H117 T123 | H117-L121 WeakPolarHBondContact CE1-CD1 3.46Å; H117-L121 WeakPolarHBondContact O-CB 3.48Å; H117-L121 VanDerWaalsContact O-CG 3.28Å; H117-L121 WeakPolarHBondContact O-CG 3.35Å; H117-L121 PolarHBondContact O-N 2.81Å; L121-T123 VanDerWaalsContact C-N 3.31Å |
| 122 | K | 59.1 | Low | 66.6 | Low | 161 Ų | 161 | 125.8 Ų | 125.8 | 70% | 0.7 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -19.4 | 169 | -86 | -176 | 174.8 | -175.2 | 0 | 112.8 | H118 A119 L120 V124 | H118-K122 PolarHBondContact O-N 3.35Å; A119-K122 PolarHBondContact O-N 3.1Å; L120-K122 VanDerWaalsContact C-N 3.28Å; L120-K122 PolarHBondContact O-N 3.36Å; K122-V124 PolarHBondContact O-N 3.19Å |
| 123 | T | 60.4 | Low | 65 | Low | 89 Ų | 89 | 129 Ų | 129 | 55% | 0.546 | 66% | 0.659 | S | S | . | * | S | Bend | trans | -77.8 | 119.3 | 168.9 | 68.1 | 0 | 0 | 0 | 0 | 107.7 | L120 L121 | L120-T123 PolarHBondContact O-N 2.9Å; L120-T123 VanDerWaalsContact O-N 3.09Å; L120-T123 PolarHBondContact O-OG1 3.21Å; L121-T123 VanDerWaalsContact C-N 3.31Å |
| 124 | V | 58.1 | Low | 63.2 | Low | 126 Ų | 126 | 126.8 Ų | 126.8 | 76% | 0.764 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 132.8 | 176.6 | -176.2 | 0 | 0 | 0 | 0 | 107.8 | K122 Y126 | K122-V124 PolarHBondContact O-N 3.19Å; V124-Y126 PolarHBondContact O-N 3.13Å |
| 125 | P | 62.5 | Low | 61.4 | Low | 106 Ų | 106 | 126.7 Ų | 126.7 | 69% | 0.688 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 120.1 | 174.5 | -22 | 30.9 | 0 | 0 | 0 | 107.9 | N127 | P125-N127 PolarHBondContact O-N 3.31Š|
| 126 | Y | 63.5 | Low | 59.6 | Low | 175 Ų | 175 | 128.6 Ų | 128.6 | 69% | 0.686 | 67% | 0.673 | S | S | * | * | trans | -53.8 | 104.6 | -178.8 | 174.8 | -103.9 | 0 | 0 | 0 | 109.3 | V124 S128 | V124-Y126 PolarHBondContact O-N 3.13Å; Y126-S128 PolarHBondContact O-N 3.25Å; Y126-S128 PolarHBondContact OH-OG 2.85Å | ||
| 127 | N | 61.5 | Low | 58.3 | Low | 132 Ų | 132 | 131.3 Ų | 131.3 | 71% | 0.706 | 69% | 0.692 | S | S | * | * | trans | -87.9 | 102.2 | 170 | -113.2 | -48.3 | 0 | 0 | 0 | 106 | P125 C129 | P125-N127 PolarHBondContact O-N 3.31Å; N127-C129 PolarHBondContact O-N 3.07Å | ||
| 128 | S | 58.1 | Low | 56.7 | Low | 82 Ų | 82 | 133.8 Ų | 133.8 | 57% | 0.573 | 70% | 0.703 | S | S | * | * | trans | -71.8 | 63.6 | 176.3 | -159.5 | 0 | 0 | 0 | 0 | 110.8 | Y126 H130 | Y126-S128 PolarHBondContact O-N 3.25Å; Y126-S128 PolarHBondContact OH-OG 2.85Å; S128-H130 PolarHBondContact O-N 3.23Å | ||
| 129 | C | 57.3 | Low | 55.5 | Low | 105 Ų | 105 | 138.7 Ų | 138.7 | 71% | 0.709 | 72% | 0.717 | S | S | * | * | trans | -90 | 49.8 | 171.7 | -62.4 | 0 | 0 | 0 | 0 | 109.7 | N127 | N127-C129 PolarHBondContact O-N 3.07Š| ||
| 130 | H | 58.3 | Low | 53.8 | Low | 152 Ų | 152 | 146.7 Ų | 146.7 | 70% | 0.704 | 74% | 0.735 | S | S | * | * | trans | -96.7 | 90.3 | 166.8 | -74.2 | -66.1 | 0 | 0 | 0 | 109.2 | S128 K132 | S128-H130 PolarHBondContact O-N 3.23Å; H130-K132 PolarHBondContact O-N 2.74Å | ||
| 131 | R | 55.3 | Low | 52.4 | Low | 235 Ų | 235 | 146.5 Ų | 146.5 | 89% | 0.887 | 74% | 0.743 | S | S | * | * | trans | -67.1 | 118.4 | 160.1 | -72.9 | -110.4 | 179.5 | -153.2 | -1.2 | 107.4 | T133 | R131-T133 PolarHBondContact O-N 3.39Š| ||
| 132 | K | 48.7 | Very low | 51.2 | Low | 207 Ų | 207 | 149.8 Ų | 149.8 | 90% | 0.9 | 76% | 0.757 | S | S | * | * | trans | -60.2 | 99 | 170 | -65.5 | 176 | 173.3 | -179.5 | 0 | 109.3 | H130 | H130-K132 PolarHBondContact O-N 2.74Š| ||
| 133 | T | 50 | Low | 50.2 | Low | 141 Ų | 141 | 148 Ų | 148 | 87% | 0.865 | 77% | 0.765 | S | S | * | * | trans | -100.7 | 93.2 | 153.2 | 53.7 | 0 | 0 | 0 | 0 | 106.7 | R131 | R131-T133 PolarHBondContact O-N 3.39Š| ||
| 134 | S | 44.7 | Very low | 49.1 | Very low | 94 Ų | 94 | 150.8 Ų | 150.8 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | trans | -128.2 | 124.9 | 177.3 | -166 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 135 | T | 41 | Very low | 47.9 | Very low | 135 Ų | 135 | 148.3 Ų | 148.3 | 83% | 0.828 | 78% | 0.782 | S | S | * | * | trans | 70.8 | 129.3 | 164.2 | 63.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 136 | K | 41.9 | Very low | 46.8 | Very low | 170 Ų | 170 | 149.4 Ų | 149.4 | 74% | 0.739 | 79% | 0.792 | S | S | * | * | cis | -165.8 | 153.4 | 37.7 | -158.2 | -178 | -177.8 | -156.7 | 0 | 111.2 | E138 | K136-E138 IonicContact NZ-OE2 3.42Š| ||
| 137 | P | 51.2 | Low | 45.3 | Very low | 122 Ų | 122 | 144.7 Ų | 144.7 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | trans | -95.9 | 133.9 | 167.9 | 34.3 | -26.6 | 0 | 0 | 0 | 111.3 | ||||
| 138 | E | 42.2 | Very low | 44.8 | Very low | 169 Ų | 169 | 144.4 Ų | 144.4 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | -149.1 | 136.5 | 163.6 | -157.1 | 148.1 | 158.5 | 0 | 0 | 111.7 | K136 | K136-E138 IonicContact NZ-OE2 3.42Š| ||
| 139 | R | 44.8 | Very low | 43.7 | Very low | 224 Ų | 224 | 146.7 Ų | 146.7 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | trans | -85.1 | 142.1 | -169.1 | -56.6 | 176.8 | -174.2 | 168 | -0.3 | 112 | ||||
| 140 | R | 40.5 | Very low | 42.5 | Very low | 226 Ų | 226 | 145.1 Ų | 145.1 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | 153.4 | 151.6 | 108.2 | -100.5 | -170.6 | -175.4 | 173.3 | 3.5 | 113.3 | |||||
| 141 | S | 39 | Very low | 41.4 | Very low | 104 Ų | 104 | 145.7 Ų | 145.7 | 73% | 0.727 | 83% | 0.828 | S | S | * | * | trans | 101.2 | 87.3 | 150.5 | -58.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 142 | M | 36.6 | Very low | 40.8 | Very low | 191 Ų | 191 | 141.6 Ų | 141.6 | 94% | 0.941 | 82% | 0.823 | S | S | * | * | 30.1 | 115.5 | 126.8 | -43.6 | -168.3 | 173.5 | 0 | 0 | 119.3 | |||||
| 143 | S | 39.4 | Very low | 40.1 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 87% | 0.867 | 82% | 0.819 | S | S | * | * | -168.4 | 153.2 | 122.8 | -156.1 | 0 | 0 | 0 | 0 | 112 | |||||
| 144 | T | 36.3 | Very low | 39.7 | Very low | 146 Ų | 146 | 139.1 Ų | 139.1 | 90% | 0.896 | 82% | 0.817 | S | S | * | * | trans | -71.1 | 148 | -166.8 | -40.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 145 | G | 34.1 | Very low | 39.2 | Very low | 74 Ų | 74 | 144 Ų | 144 | 76% | 0.763 | 83% | 0.826 | S | S | * | * | trans | 167.6 | 120.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 146 | S | 37.8 | Very low | 39.3 | Very low | 129 Ų | 129 | 142.9 Ų | 142.9 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | trans | -46.3 | 150.8 | -175.2 | -52.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 147 | G | 33.8 | Very low | 38.9 | Very low | 76 Ų | 76 | 141 Ų | 141 | 78% | 0.784 | 83% | 0.829 | S | S | * | * | trans | -80 | -148.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 148 | P | 50.4 | Low | 38.3 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | cis | -130.5 | 178 | -22.4 | 39.8 | -23.3 | 0 | 0 | 0 | 114.1 | ||||
| 149 | S | 35.6 | Very low | 37.7 | Very low | 131 Ų | 131 | 137 Ų | 137 | 92% | 0.916 | 83% | 0.828 | S | S | * | * | trans | 74.8 | 132.9 | 155.6 | -157.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 150 | G | 31.2 | Very low | 37.3 | Very low | 72 Ų | 72 | 131.2 Ų | 131.2 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | trans | 145.8 | 86 | 157 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 151 | N | 35.2 | Very low | 36.8 | Very low | 164 Ų | 164 | 127 Ų | 127 | 88% | 0.877 | 83% | 0.826 | S | S | * | * | trans | 66.2 | 126.9 | 136.7 | -124.2 | 7.6 | 0 | 0 | 0 | 123.1 | ||||
| 152 | L | 42.2 | Very low | 36.3 | Very low | 148 Ų | 148 | 130.8 Ų | 130.8 | 78% | 0.775 | 83% | 0.83 | S | S | * | * | trans | -57.8 | 141.6 | 159.8 | -66.5 | 148.8 | 0 | 0 | 0 | 110.5 | ||||
| 153 | H | 35.1 | Very low | 35.9 | Very low | 179 Ų | 179 | 127.1 Ų | 127.1 | 83% | 0.829 | 82% | 0.818 | S | S | * | * | -177.3 | 129 | 126.4 | -103.8 | -139.3 | 0 | 0 | 0 | 110.5 | |||||
| 154 | S | 40.9 | Very low | 35.3 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -58.1 | 124.8 | 174.9 | 34.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 155 | K | 33.8 | Very low | 35.1 | Very low | 196 Ų | 196 | 128.1 Ų | 128.1 | 85% | 0.852 | 81% | 0.807 | S | S | * | * | trans | -131.5 | 114.2 | 158.5 | -73 | -175.1 | 179.3 | 178.7 | 0 | 109 | ||||
| 156 | S | 43.1 | Very low | 35.1 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | trans | -50.1 | 137.2 | 165.6 | 40.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 157 | P | 34.7 | Very low | 34.7 | Very low | 130 Ų | 130 | 132 Ų | 132 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | trans | -91.2 | 115.7 | 169.4 | 26.4 | -15.4 | 0 | 0 | 0 | 110.8 | ||||
| 158 | S | 36.9 | Very low | 34.7 | Very low | 116 Ų | 116 | 136.5 Ų | 136.5 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | trans | -70.4 | 128.4 | 148.6 | 53.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 159 | A | 30.6 | Very low | 33.8 | Very low | 91 Ų | 91 | 136.4 Ų | 136.4 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | -173.6 | 111.2 | 150.5 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 160 | S | 36.3 | Very low | 33.5 | Very low | 103 Ų | 103 | 134.5 Ų | 134.5 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | 46.9 | 100.9 | 80.7 | 175.8 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 161 | C | 29.1 | Very low | 33.6 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 93% | 0.932 | 80% | 0.8 | S | S | * | * | trans | -144.7 | 137.5 | 141 | -85 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 162 | K | 28.9 | Very low | 33.5 | Very low | 184 Ų | 184 | 133.8 Ų | 133.8 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | trans | -83 | 157.4 | -172.7 | -74.4 | 172.6 | 169.7 | 177.3 | 0 | 112 | ||||
| 163 | T | 28.1 | Very low | 32.9 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | 60.4 | 131.6 | 139.5 | -53.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 164 | E | 28.1 | Very low | 33 | Very low | 170 Ų | 170 | 136.1 Ų | 136.1 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | -161.8 | 132.6 | 51.7 | 33.3 | -125.6 | 100.4 | 0 | 0 | 113.8 | |||||
| 165 | V | 32.1 | Very low | 32.6 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | trans | 21.7 | 118 | 137.4 | -164 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 166 | S | 32.7 | Very low | 33 | Very low | 116 Ų | 116 | 133.1 Ų | 133.1 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | -165.5 | 137.6 | 113 | -79.7 | 0 | 0 | 0 | 0 | 111 | |||||
| 167 | E | 29.1 | Very low | 32.8 | Very low | 167 Ų | 167 | 134.8 Ų | 134.8 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | trans | -54.6 | 157 | -176.6 | -62.4 | 155.7 | 144.2 | 0 | 0 | 110.5 | ||||
| 168 | L | 34.8 | Very low | 32.7 | Very low | 172 Ų | 172 | 132.7 Ų | 132.7 | 90% | 0.901 | 78% | 0.781 | S | S | * | * | -157.7 | 138.8 | 59 | -32 | 93.1 | 0 | 0 | 0 | 112.3 | |||||
| 169 | S | 31.7 | Very low | 32.5 | Very low | 123 Ų | 123 | 133.3 Ų | 133.3 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | -42.5 | 167.5 | 155.5 | -59.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 170 | A | 30.1 | Very low | 32.9 | Very low | 92 Ų | 92 | 138 Ų | 138 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | cis | -167.3 | 167.5 | -12.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 171 | S | 31.6 | Very low | 32.6 | Very low | 95 Ų | 95 | 139.2 Ų | 139.2 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | trans | -66.6 | 158.5 | 177.3 | 59.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 172 | N | 32.9 | Very low | 33 | Very low | 126 Ų | 126 | 140.5 Ų | 140.5 | 67% | 0.674 | 78% | 0.778 | S | S | * | * | 166.7 | 127.5 | 107.9 | -85.4 | -15.8 | 0 | 0 | 0 | 110.6 | |||||
| 173 | H | 31.5 | Very low | 33.1 | Very low | 199 Ų | 199 | 139.6 Ų | 139.6 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | trans | -105.6 | 119.9 | 153.2 | -95.5 | -80.3 | 0 | 0 | 0 | 107.7 | ||||
| 174 | H | 36.2 | Very low | 33.8 | Very low | 176 Ų | 176 | 143.7 Ų | 143.7 | 82% | 0.815 | 79% | 0.793 | S | S | * | * | trans | -89.2 | 135.2 | 160.7 | -94.5 | -88.6 | 0 | 0 | 0 | 108.7 | ||||
| 175 | D | 32.6 | Very low | 34.1 | Very low | 151 Ų | 151 | 140.3 Ų | 140.3 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | trans | -97.3 | 156.8 | 171.7 | -170.8 | 13.7 | 0 | 0 | 0 | 109.4 | ||||
| 176 | S | 41.8 | Very low | 34.3 | Very low | 100 Ų | 100 | 139.4 Ų | 139.4 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | trans | 129.7 | 139.8 | 158.8 | -67.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 177 | I | 38.4 | Very low | 34.5 | Very low | 147 Ų | 147 | 141.5 Ų | 141.5 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | cis | -170.5 | 141 | 5 | -95.7 | -106.9 | 0 | 0 | 0 | 107 | ||||
| 178 | A | 32.5 | Very low | 35 | Very low | 85 Ų | 85 | 138.8 Ų | 138.8 | 70% | 0.702 | 80% | 0.796 | S | S | * | * | trans | 54.1 | 149.2 | 146.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 179 | V | 34.1 | Very low | 35.2 | Very low | 129 Ų | 129 | 139.6 Ų | 139.6 | 78% | 0.782 | 80% | 0.795 | S | S | * | * | cis | -161.8 | 139.4 | 45.3 | 166.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 180 | K | 37.8 | Very low | 35.4 | Very low | 191 Ų | 191 | 139.3 Ų | 139.3 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | trans | 9.9 | 136.4 | 151.8 | -55.6 | 175.7 | 175.6 | -177 | 0 | 121.5 | ||||
| 181 | T | 30.7 | Very low | 36.4 | Very low | 128 Ų | 128 | 139.9 Ų | 139.9 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | -170.1 | 151.8 | 101.5 | -67.1 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 182 | E | 36.9 | Very low | 37.1 | Very low | 165 Ų | 165 | 143 Ų | 143 | 77% | 0.771 | 80% | 0.797 | S | S | * | * | trans | -53.4 | 144.1 | -170 | -66.4 | 145 | 133.3 | 0 | 0 | 116.1 | ||||
| 183 | D | 31.5 | Very low | 37.6 | Very low | 164 Ų | 164 | 142.2 Ų | 142.2 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | -166.5 | 127.3 | 110.5 | -93.7 | -27.1 | 0 | 0 | 0 | 110.7 | |||||
| 184 | Q | 42.5 | Very low | 38.6 | Very low | 201 Ų | 201 | 139 Ų | 139 | 94% | 0.939 | 79% | 0.787 | S | S | * | * | trans | -79 | 125.4 | 170.5 | -75.5 | -172.5 | 22 | 0 | 0 | 109.7 | ||||
| 185 | A | 34.7 | Very low | 39.8 | Very low | 99 Ų | 99 | 133.9 Ų | 133.9 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -154.5 | 133.4 | 144.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 186 | A | 37.4 | Very low | 41.7 | Very low | 101 Ų | 101 | 130.2 Ų | 130.2 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | trans | 81.8 | 79.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 187 | L | 36.2 | Very low | 43.7 | Very low | 160 Ų | 160 | 130.5 Ų | 130.5 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | trans | -18 | 124 | 136.9 | -166.2 | 71.3 | 0 | 0 | 0 | 116.1 | ||||
| 188 | T | 39.3 | Very low | 45.7 | Very low | 110 Ų | 110 | 129.8 Ų | 129.8 | 68% | 0.675 | 74% | 0.737 | S | S | * | * | trans | 42.2 | 106.3 | 140.2 | -45.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 189 | Q | 38.8 | Very low | 48.2 | Very low | 190 Ų | 190 | 134.2 Ų | 134.2 | 89% | 0.888 | 74% | 0.736 | S | S | * | * | trans | -136.1 | 102.5 | 139.9 | -63.9 | -165 | 12.9 | 0 | 0 | 108.2 | ||||
| 190 | V | 35.1 | Very low | 50.8 | Low | 117 Ų | 117 | 135.8 Ų | 135.8 | 71% | 0.709 | 73% | 0.728 | S | S | * | * | 62.4 | 111.8 | 108.1 | -179.8 | 0 | 0 | 0 | 0 | 112.3 | E192 | V190-E192 PolarHBondContact O-N 3.4Å; V190-E192 VanDerWaalsContact O-N 3.08Å | |||
| 191 | A | 51.4 | Low | 53.3 | Low | 104 Ų | 104 | 131.8 Ų | 131.8 | 86% | 0.86 | 71% | 0.712 | S | S | * | * | trans | -60.1 | 104.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 192 | E | 47.2 | Very low | 55.9 | Low | 160 Ų | 160 | 130.4 Ų | 130.4 | 75% | 0.748 | 70% | 0.698 | S | S | * | * | trans | -151.6 | 155.1 | 160.1 | -90 | -147.8 | 142.6 | 0 | 0 | 108.6 | V190 L194 | V190-E192 PolarHBondContact O-N 3.4Å; V190-E192 VanDerWaalsContact O-N 3.08Å; E192-L194 PolarHBondContact O-N 3.3Å | ||
| 193 | P | 43.4 | Very low | 58.5 | Low | 110 Ų | 110 | 127.9 Ų | 127.9 | 71% | 0.714 | 69% | 0.686 | S | S | * | * | trans | -61 | 108 | -134.5 | 31.7 | -33.9 | 0 | 0 | 0 | 111.9 | T195 | P193-T195 WeakPolarHBondContact O-CG2 3.28Å; P193-T195 PolarHBondContact O-N 3.1Å | ||
| 194 | L | 51.2 | Low | 61.3 | Low | 130 Ų | 130 | 125.8 Ų | 125.8 | 68% | 0.681 | 67% | 0.671 | S | S | * | * | trans | -70.2 | 85.3 | 172.3 | -83.3 | 168.7 | 0 | 0 | 0 | 109.4 | E192 R198 | E192-L194 PolarHBondContact O-N 3.3Å; L194-R198 VanDerWaalsContact CD2-NH1 3.35Å | ||
| 195 | T | 62.3 | Low | 63.5 | Low | 70 Ų | 70 | 120.9 Ų | 120.9 | 43% | 0.429 | 64% | 0.644 | S | S | . | * | trans | -28.5 | 144.4 | -178.3 | 53.4 | 0 | 0 | 0 | 0 | 115.8 | P193 Q197 R198 | P193-T195 WeakPolarHBondContact O-CG2 3.28Å; P193-T195 PolarHBondContact O-N 3.1Å; T195-Q197 PolarHBondContact O-N 3.09Å; T195-R198 PolarHBondContact O-N 3.43Å | ||
| 196 | A | 72.8 | Confident | 66.2 | Low | 74 Ų | 74 | 121.4 Ų | 121.4 | 61% | 0.612 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -49.7 | -18.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R200 | A196-R200 WeakPolarHBondContact O-CG 3.23Å; A196-R200 PolarHBondContact O-N 3.27Å; A196-R200 VanDerWaalsContact O-N 3.08Å; A196-R200 PolarHBondContact O-NE 3.33Å |
| 197 | Q | 82.8 | Confident | 68.6 | Low | 105 Ų | 105 | 122.8 Ų | 122.8 | 49% | 0.491 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.6 | -48.2 | 169.8 | 179.8 | 179.2 | -18.1 | 0 | 0 | 112.7 | T195 R199 R200 E201 | T195-Q197 PolarHBondContact O-N 3.09Å; Q197-R199 PolarHBondContact O-N 3.07Å; Q197-R200 WeakPolarHBondContact O-CB 3.43Å; Q197-R200 PolarHBondContact O-N 2.76Å; Q197-R200 VanDerWaalsContact O-N 3.08Å; Q197-E201 WeakPolarHBondContact CG-OE1 3.4Å; Q197-E201 PolarHBondContact NE2-OE1 3.16Å; Q197-E201 VanDerWaalsContact NE2-OE1 3.09Å; Q197-E201 WeakPolarHBondContact O-CG 3.31Å; Q197-E201 PolarHBondContact O-N 2.94Å |
| 198 | R | 82.1 | Confident | 71.1 | Confident | 132 Ų | 132 | 116.4 Ų | 116.4 | 50% | 0.498 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -60.4 | -37.1 | 175.9 | -172.1 | 170.7 | -177.1 | -176.6 | 3.1 | 111.6 | L194 T195 E201 M202 | L194-R198 VanDerWaalsContact CD2-NH1 3.35Å; T195-R198 PolarHBondContact O-N 3.43Å; R198-E201 PolarHBondContact O-N 2.99Å; R198-M202 VanDerWaalsContact O-CG 3.26Å; R198-M202 WeakPolarHBondContact O-CG 3.46Å; R198-M202 PolarHBondContact O-N 3.03Å |
| 199 | R | 84.7 | Confident | 73.3 | Confident | 179 Ų | 179 | 116.4 Ų | 116.4 | 68% | 0.675 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.2 | -46.1 | 173.7 | -171 | -178.5 | -64.2 | 175 | 0.1 | 111.7 | Q197 E201 M202 E203 | Q197-R199 PolarHBondContact O-N 3.07Å; R199-E201 PolarHBondContact O-N 2.83Å; R199-M202 PolarHBondContact O-N 3.08Å; R199-E203 WeakPolarHBondContact CG-OE1 3.44Å; R199-E203 WeakPolarHBondContact O-CG 3.34Å; R199-E203 PolarHBondContact O-N 2.96Å |
| 200 | R | 88.3 | Confident | 75.3 | Confident | 162 Ų | 162 | 111.7 Ų | 111.7 | 61% | 0.611 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.6 | -39.3 | 176.3 | -78.4 | -177.1 | -72.8 | 173.1 | -1.1 | 112.8 | A196 Q197 E203 H204 | A196-R200 WeakPolarHBondContact O-CG 3.23Å; A196-R200 PolarHBondContact O-N 3.27Å; A196-R200 VanDerWaalsContact O-N 3.08Å; A196-R200 PolarHBondContact O-NE 3.33Å; Q197-R200 WeakPolarHBondContact O-CB 3.43Å; Q197-R200 PolarHBondContact O-N 2.76Å; Q197-R200 VanDerWaalsContact O-N 3.08Å; R200-E203 PolarHBondContact O-N 3.37Å; R200-H204 VanDerWaalsContact O-CB 3.24Å; R200-H204 WeakPolarHBondContact O-CB 3.3Å; R200-H204 PolarHBondContact O-N 3.27Å |
| 201 | E | 89.9 | Confident | 77.4 | Confident | 106 Ų | 106 | 110 Ų | 110 | 50% | 0.495 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.1 | -42.7 | 175.8 | -72 | 166.3 | -171.1 | 0 | 0 | 111.3 | Q197 R198 R199 H204 Y205 | Q197-E201 WeakPolarHBondContact CG-OE1 3.4Å; Q197-E201 PolarHBondContact NE2-OE1 3.16Å; Q197-E201 VanDerWaalsContact NE2-OE1 3.09Å; Q197-E201 WeakPolarHBondContact O-CG 3.31Å; Q197-E201 PolarHBondContact O-N 2.94Å; R198-E201 PolarHBondContact O-N 2.99Å; R199-E201 PolarHBondContact O-N 2.83Å; E201-H204 PolarHBondContact O-N 3.13Å; E201-Y205 WeakPolarHBondContact O-CB 3.37Å; E201-Y205 PolarHBondContact O-N 3.13Å |
| 202 | M | 86.1 | Confident | 78.8 | Confident | 100 Ų | 100 | 106.2 Ų | 106.2 | 49% | 0.493 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.8 | -43.2 | 175.4 | -67.8 | -56.3 | -55.6 | 0 | 0 | 112.4 | R198 R199 H204 Y205 L206 | R198-M202 VanDerWaalsContact O-CG 3.26Å; R198-M202 WeakPolarHBondContact O-CG 3.46Å; R198-M202 PolarHBondContact O-N 3.03Å; R199-M202 PolarHBondContact O-N 3.08Å; M202-H204 VanDerWaalsContact C-N 3.34Å; M202-Y205 PolarHBondContact O-N 2.96Å; M202-L206 VanDerWaalsContact O-CG 3.3Å; M202-L206 WeakPolarHBondContact O-CG 3.23Å; M202-L206 PolarHBondContact O-N 2.81Å |
| 203 | E | 90.4 | Very high | 80.6 | Confident | 112 Ų | 112 | 102.7 Ų | 102.7 | 52% | 0.523 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 176.1 | -74.1 | 168.8 | -172.1 | 0 | 0 | 111.5 | R199 R200 L206 K207 | R199-E203 WeakPolarHBondContact CG-OE1 3.44Å; R199-E203 WeakPolarHBondContact O-CG 3.34Å; R199-E203 PolarHBondContact O-N 2.96Å; R200-E203 PolarHBondContact O-N 3.37Å; E203-L206 PolarHBondContact O-N 3.21Å; E203-K207 WeakPolarHBondContact O-CB 3.36Å; E203-K207 PolarHBondContact O-N 3.46Å |
| 204 | H | 89.9 | Confident | 82.4 | Confident | 119 Ų | 119 | 100.6 Ų | 100.6 | 55% | 0.551 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.5 | -45.6 | 175.5 | -177 | -97.2 | 0 | 0 | 0 | 111.5 | R200 E201 M202 K207 L208 | R200-H204 VanDerWaalsContact O-CB 3.24Å; R200-H204 WeakPolarHBondContact O-CB 3.3Å; R200-H204 PolarHBondContact O-N 3.27Å; E201-H204 PolarHBondContact O-N 3.13Å; M202-H204 VanDerWaalsContact C-N 3.34Å; H204-K207 PolarHBondContact O-N 3.48Å; H204-L208 VanDerWaalsContact CE1-CD1 3.48Å; H204-L208 WeakPolarHBondContact CE1-CD1 3.15Å; H204-L208 VanDerWaalsContact O-CD1 3.24Å; H204-L208 WeakPolarHBondContact O-CD1 3.27Å; H204-L208 PolarHBondContact O-N 3.09Å |
| 205 | Y | 90.2 | Very high | 84 | Confident | 99 Ų | 99 | 99 Ų | 99 | 39% | 0.388 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.8 | -48.3 | 175.3 | 175.2 | -90.7 | 0 | 0 | 0 | 112.3 | E201 M202 K207 L208 K209 W221 | E201-Y205 WeakPolarHBondContact O-CB 3.37Å; E201-Y205 PolarHBondContact O-N 3.13Å; M202-Y205 PolarHBondContact O-N 2.96Å; Y205-K207 VanDerWaalsContact C-N 3.3Å; Y205-K207 PolarHBondContact O-N 3.45Å; Y205-L208 PolarHBondContact O-N 3.48Å; Y205-K209 HydrophobicContact CD1-CG 4.42Å; Y205-K209 HydrophobicContact CE1-CG 3.9Å; Y205-K209 PolarHBondContact O-N 2.85Å; Y205-W221 AromaticContact CD2-CH2 3.59Å; Y205-W221 HydrophobicContact CD2-CH2 3.59Å; Y205-W221 AromaticContact CD2-CZ2 3.49Å; Y205-W221 HydrophobicContact CD2-CZ2 3.49Å; Y205-W221 VanDerWaalsContact CD2-CZ2 3.49Å; Y205-W221 AromaticContact CE2-CH2 3.41Å; Y205-W221 HydrophobicContact CE2-CH2 3.41Å; Y205-W221 VanDerWaalsContact CE2-CH2 3.41Å; Y205-W221 AromaticContact CE2-CZ2 3.64Å; Y205-W221 HydrophobicContact CE2-CZ2 3.64Å |
| 206 | L | 90.3 | Very high | 85 | Confident | 109 Ų | 109 | 99.3 Ų | 99.3 | 57% | 0.571 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.1 | -39.4 | 179.4 | -72.1 | 172.3 | 0 | 0 | 0 | 111.7 | M202 E203 K209 S210 | M202-L206 VanDerWaalsContact O-CG 3.3Å; M202-L206 WeakPolarHBondContact O-CG 3.23Å; M202-L206 PolarHBondContact O-N 2.81Å; E203-L206 PolarHBondContact O-N 3.21Å; L206-K209 PolarHBondContact O-N 3.48Å; L206-S210 PolarHBondContact O-N 3.25Å; L206-S210 PolarHBondContact O-OG 3.38Å |
| 207 | K | 88.6 | Confident | 85.4 | Confident | 131 Ų | 131 | 108 Ų | 108 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65 | -43.4 | 176.9 | -171.7 | 171.4 | -177.1 | 179.1 | 0 | 112.5 | E203 H204 Y205 K209 S210 D211 | E203-K207 WeakPolarHBondContact O-CB 3.36Å; E203-K207 PolarHBondContact O-N 3.46Å; H204-K207 PolarHBondContact O-N 3.48Å; Y205-K207 VanDerWaalsContact C-N 3.3Å; Y205-K207 PolarHBondContact O-N 3.45Å; K207-K209 VanDerWaalsContact C-N 3.3Å; K207-K209 PolarHBondContact O-N 3.46Å; K207-S210 PolarHBondContact O-N 3.29Å; K207-S210 PolarHBondContact O-OG 3.27Å; K207-D211 VanDerWaalsContact O-CB 3.31Å; K207-D211 WeakPolarHBondContact O-CB 3.34Å; K207-D211 PolarHBondContact O-N 3.26Å |
| 208 | L | 89.2 | Confident | 85.3 | Confident | 25 Ų | 25 | 109.3 Ų | 109.3 | 13% | 0.131 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 174.3 | -95 | 73.1 | 0 | 0 | 0 | 111 | H204 Y205 S210 D211 G212 W213 W221 | H204-L208 VanDerWaalsContact CE1-CD1 3.48Å; H204-L208 WeakPolarHBondContact CE1-CD1 3.15Å; H204-L208 VanDerWaalsContact O-CD1 3.24Å; H204-L208 WeakPolarHBondContact O-CD1 3.27Å; H204-L208 PolarHBondContact O-N 3.09Å; Y205-L208 PolarHBondContact O-N 3.48Å; L208-S210 PolarHBondContact O-N 2.81Å; L208-D211 PolarHBondContact O-N 3.18Å; L208-G212 PolarHBondContact O-N 3.42Å; L208-W213 HydrophobicContact CB-CB 4.02Å; L208-W213 HydrophobicContact CB-CG 4.35Å; L208-W213 HydrophobicContact CD2-CB 4.49Å; L208-W213 HydrophobicContact CG-CB 4.24Å; L208-W213 HydrophobicContact CG-CG 4.15Å; L208-W213 WeakPolarHBondContact O-CA 3.42Å; L208-W213 VanDerWaalsContact O-CB 3.24Å; L208-W213 WeakPolarHBondContact O-CB 3.45Å; L208-W213 PolarHBondContact O-N 3.15Å; L208-W221 HydrophobicContact CB-CD2 4.4Å; L208-W221 HydrophobicContact CB-CE3 4.12Å; L208-W221 HydrophobicContact CB-CH2 4.24Å; L208-W221 HydrophobicContact CB-CZ3 4.02Å; L208-W221 HydrophobicContact CD2-CB 3.95Å; L208-W221 HydrophobicContact CD2-CD2 3.37Å; L208-W221 HydrophobicContact CD2-CE3 3.87Å; L208-W221 HydrophobicContact CD2-CG 3.41Å; L208-W221 VanDerWaalsContact CD2-CG 3.41Å; L208-W221 HydrophobicContact CD2-CZ2 4.28Å; L208-W221 HydrophobicContact CD2-CZ3 4.47Å; L208-W221 HydrophobicContact CG-CD2 4.48Å |
| 209 | K | 84.1 | Confident | 85.2 | Confident | 111 Ų | 111 | 105 Ų | 105 | 48% | 0.483 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.5 | -38.1 | 177.3 | -76.5 | -73.7 | -68 | 175.5 | 0 | 113.5 | Y205 L206 K207 W221 | Y205-K209 HydrophobicContact CD1-CG 4.42Å; Y205-K209 HydrophobicContact CE1-CG 3.9Å; Y205-K209 PolarHBondContact O-N 2.85Å; L206-K209 PolarHBondContact O-N 3.48Å; K207-K209 VanDerWaalsContact C-N 3.3Å; K207-K209 PolarHBondContact O-N 3.46Å; K209-W221 HydrophobicContact CD-CH2 4.36Å; K209-W221 HydrophobicContact CD-CZ3 4.19Å; K209-W221 HydrophobicContact CG-CH2 4.18Å; K209-W221 HydrophobicContact CG-CZ3 4.29Å |
| 210 | S | 80.6 | Confident | 85 | Confident | 90 Ų | 90 | 102.3 Ų | 102.3 | 63% | 0.629 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -73.6 | -32.8 | 177 | 61.9 | 0 | 0 | 0 | 0 | 112.8 | L206 K207 L208 G212 | L206-S210 PolarHBondContact O-N 3.25Å; L206-S210 PolarHBondContact O-OG 3.38Å; K207-S210 PolarHBondContact O-N 3.29Å; K207-S210 PolarHBondContact O-OG 3.27Å; L208-S210 PolarHBondContact O-N 2.81Å; S210-G212 PolarHBondContact O-N 2.9Å |
| 211 | D | 80.2 | Confident | 84.7 | Confident | 81 Ų | 81 | 98 Ų | 98 | 43% | 0.433 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 11.6 | -179.3 | -65.7 | -6.9 | 0 | 0 | 0 | 112.6 | K207 L208 | K207-D211 VanDerWaalsContact O-CB 3.31Å; K207-D211 WeakPolarHBondContact O-CB 3.34Å; K207-D211 PolarHBondContact O-N 3.26Å; L208-D211 PolarHBondContact O-N 3.18Å |
| 212 | G | 81.1 | Confident | 84.3 | Confident | 25 Ų | 25 | 95.9 Ų | 95.9 | 26% | 0.258 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 16.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115 | L208 S210 D224 | L208-G212 PolarHBondContact O-N 3.42Å; S210-G212 PolarHBondContact O-N 2.9Å; G212-D224 PolarHBondContact O-N 3.02Å |
| 213 | W | 83.6 | Confident | 83.8 | Confident | 87 Ų | 87 | 97.5 Ų | 97.5 | 33% | 0.33 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 131.7 | 175.3 | -60.4 | 80.7 | 0 | 0 | 0 | 110.9 | L208 W221 V222 K223 | L208-W213 HydrophobicContact CB-CB 4.02Å; L208-W213 HydrophobicContact CB-CG 4.35Å; L208-W213 HydrophobicContact CD2-CB 4.49Å; L208-W213 HydrophobicContact CG-CB 4.24Å; L208-W213 HydrophobicContact CG-CG 4.15Å; L208-W213 WeakPolarHBondContact O-CA 3.42Å; L208-W213 VanDerWaalsContact O-CB 3.24Å; L208-W213 WeakPolarHBondContact O-CB 3.45Å; L208-W213 PolarHBondContact O-N 3.15Å; W213-W221 HydrophobicContact CB-CE3 3.71Å; W213-W221 HydrophobicContact CB-CZ3 4.29Å; W213-W221 HydrophobicContact CE3-CB 4.03Å; W213-W221 WeakPolarHBondContact CZ3-O 3.49Å; W213-W221 WeakPolarHBondContact O-CZ3 3.25Å; W213-V222 WeakPolarHBondContact CA-O 3.47Å; W213-V222 VanDerWaalsContact CE3-C 3.5Å; W213-K223 HydrophobicContact CD2-CB 3.97Å; W213-K223 HydrophobicContact CD2-CG 4.26Å; W213-K223 HydrophobicContact CE3-CB 3.81Å; W213-K223 VanDerWaalsContact CE3-N 3.34Å; W213-K223 HydrophobicContact CH2-CB 3.88Å; W213-K223 HydrophobicContact CH2-CD 4.48Å; W213-K223 HydrophobicContact CZ2-CB 4.03Å; W213-K223 HydrophobicContact CZ2-CD 3.95Å; W213-K223 HydrophobicContact CZ2-CG 4.25Å; W213-K223 HydrophobicContact CZ3-CB 3.77Å |
| 214 | V | 82.4 | Confident | 82.6 | Confident | 65 Ų | 65 | 95.6 Ų | 95.6 | 39% | 0.394 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 148 | 177.1 | 179 | 0 | 0 | 0 | 0 | 108.6 | W221 V222 D224 | V214-W221 WeakPolarHBondContact O-CA 3.48Å; V214-V222 PolarHBondContact N-O 3.48Å; V214-V222 PolarHBondContact O-N 3.34Å; V214-D224 HydrophobicContact CG2-CB 4.42Å |
| 215 | Q | 85.4 | Confident | 81.2 | Confident | 97 Ų | 97 | 98.5 Ų | 98.5 | 45% | 0.453 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 124.2 | 172.5 | -73.4 | -173.9 | -17.1 | 0 | 0 | 109.8 | Q220 W221 | Q215-Q220 WeakPolarHBondContact CA-O 3.36Å; Q215-W221 HydrophobicContact CG-CD2 3.7Å; Q215-W221 HydrophobicContact CG-CE3 3.75Å; Q215-W221 HydrophobicContact CG-CG 4.4Å; Q215-W221 HydrophobicContact CG-CH2 3.95Å; Q215-W221 HydrophobicContact CG-CZ2 3.86Å; Q215-W221 HydrophobicContact CG-CZ3 3.89Å; Q215-W221 VanDerWaalsContact NE2-CE2 3.28Å |
| 216 | D | 81.9 | Confident | 79.5 | Confident | 76 Ų | 76 | 100.5 Ų | 100.5 | 41% | 0.406 | 50% | 0.502 | S | S | . | . | trans | -64.3 | 169.4 | 169.7 | -77.4 | -13.3 | 0 | 0 | 0 | 111.1 | N218 G219 Q220 V222 | D216-N218 PolarHBondContact O-N 3.02Å; D216-G219 PolarHBondContact O-N 3.32Å; D216-Q220 PolarHBondContact N-O 3.42Å; D216-V222 WeakPolarHBondContact OD2-CG2 3.4Å | ||
| 217 | R | 82.1 | Confident | 77.9 | Confident | 258 Ų | 258 | 99.8 Ų | 99.8 | 97% | 0.974 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -18 | 171.5 | -71.4 | 176.7 | 127.2 | -170.2 | -1.8 | 113.6 | ||
| 218 | N | 80.8 | Confident | 76.2 | Confident | 131 Ų | 131 | 101.5 Ų | 101.5 | 70% | 0.701 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | 1.4 | 179.6 | -63 | 61.1 | 0 | 0 | 0 | 113 | D216 Q220 | D216-N218 PolarHBondContact O-N 3.02Å; N218-Q220 VanDerWaalsContact C-N 3.29Å; N218-Q220 PolarHBondContact O-N 2.94Å |
| 219 | G | 79.1 | Confident | 74 | Confident | 43 Ų | 43 | 109 Ų | 109 | 44% | 0.443 | 54% | 0.544 | S | S | . | . | S | Bend | trans | 76.4 | 10.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | D216 | D216-G219 PolarHBondContact O-N 3.32Š|
| 220 | Q | 81.8 | Confident | 72.2 | Confident | 122 Ų | 122 | 109.7 Ų | 109.7 | 57% | 0.57 | 55% | 0.553 | S | S | * | * | trans | -88.3 | 140.6 | 175.6 | -72.9 | 156.9 | -52.8 | 0 | 0 | 110.2 | Q215 D216 N218 V222 | Q215-Q220 WeakPolarHBondContact CA-O 3.36Å; D216-Q220 PolarHBondContact N-O 3.42Å; N218-Q220 VanDerWaalsContact C-N 3.29Å; N218-Q220 PolarHBondContact O-N 2.94Å; Q220-V222 PolarHBondContact O-N 3.34Å | ||
| 221 | W | 82 | Confident | 71 | Confident | 71 Ų | 71 | 110.3 Ų | 110.3 | 27% | 0.269 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.1 | 113.6 | 176.6 | -67.8 | 100.9 | 0 | 0 | 0 | 109.9 | Y205 L208 K209 W213 V214 Q215 | Y205-W221 AromaticContact CD2-CH2 3.59Å; Y205-W221 HydrophobicContact CD2-CH2 3.59Å; Y205-W221 AromaticContact CD2-CZ2 3.49Å; Y205-W221 HydrophobicContact CD2-CZ2 3.49Å; Y205-W221 VanDerWaalsContact CD2-CZ2 3.49Å; Y205-W221 AromaticContact CE2-CH2 3.41Å; Y205-W221 HydrophobicContact CE2-CH2 3.41Å; Y205-W221 VanDerWaalsContact CE2-CH2 3.41Å; Y205-W221 AromaticContact CE2-CZ2 3.64Å; Y205-W221 HydrophobicContact CE2-CZ2 3.64Å; L208-W221 HydrophobicContact CB-CD2 4.4Å; L208-W221 HydrophobicContact CB-CE3 4.12Å; L208-W221 HydrophobicContact CB-CH2 4.24Å; L208-W221 HydrophobicContact CB-CZ3 4.02Å; L208-W221 HydrophobicContact CD2-CB 3.95Å; L208-W221 HydrophobicContact CD2-CD2 3.37Å; L208-W221 HydrophobicContact CD2-CE3 3.87Å; L208-W221 HydrophobicContact CD2-CG 3.41Å; L208-W221 VanDerWaalsContact CD2-CG 3.41Å; L208-W221 HydrophobicContact CD2-CZ2 4.28Å; L208-W221 HydrophobicContact CD2-CZ3 4.47Å; L208-W221 HydrophobicContact CG-CD2 4.48Å; K209-W221 HydrophobicContact CD-CH2 4.36Å; K209-W221 HydrophobicContact CD-CZ3 4.19Å; K209-W221 HydrophobicContact CG-CH2 4.18Å; K209-W221 HydrophobicContact CG-CZ3 4.29Å; W213-W221 HydrophobicContact CB-CE3 3.71Å; W213-W221 HydrophobicContact CB-CZ3 4.29Å; W213-W221 HydrophobicContact CE3-CB 4.03Å; W213-W221 WeakPolarHBondContact CZ3-O 3.49Å; W213-W221 WeakPolarHBondContact O-CZ3 3.25Å; V214-W221 WeakPolarHBondContact O-CA 3.48Å; Q215-W221 HydrophobicContact CG-CD2 3.7Å; Q215-W221 HydrophobicContact CG-CE3 3.75Å; Q215-W221 HydrophobicContact CG-CG 4.4Å; Q215-W221 HydrophobicContact CG-CH2 3.95Å; Q215-W221 HydrophobicContact CG-CZ2 3.86Å; Q215-W221 HydrophobicContact CG-CZ3 3.89Å; Q215-W221 VanDerWaalsContact NE2-CE2 3.28Å |
| 222 | V | 80.3 | Confident | 69.5 | Low | 62 Ų | 62 | 112.6 Ų | 112.6 | 38% | 0.376 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114 | 137.4 | 174.8 | 179.3 | 0 | 0 | 0 | 0 | 108.5 | W213 V214 D216 Q220 D224 | W213-V222 WeakPolarHBondContact CA-O 3.47Å; W213-V222 VanDerWaalsContact CE3-C 3.5Å; V214-V222 PolarHBondContact N-O 3.48Å; V214-V222 PolarHBondContact O-N 3.34Å; D216-V222 WeakPolarHBondContact OD2-CG2 3.4Å; Q220-V222 PolarHBondContact O-N 3.34Å; V222-D224 PolarHBondContact O-N 3.36Å |
| 223 | K | 76.6 | Confident | 68.3 | Low | 134 Ų | 134 | 119.4 Ų | 119.4 | 58% | 0.583 | 60% | 0.595 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.9 | 114 | 178.1 | -161.5 | 176.3 | -174.5 | -172.1 | 0 | 107.3 | W213 E225 | W213-K223 HydrophobicContact CD2-CB 3.97Å; W213-K223 HydrophobicContact CD2-CG 4.26Å; W213-K223 HydrophobicContact CE3-CB 3.81Å; W213-K223 VanDerWaalsContact CE3-N 3.34Å; W213-K223 HydrophobicContact CH2-CB 3.88Å; W213-K223 HydrophobicContact CH2-CD 4.48Å; W213-K223 HydrophobicContact CZ2-CB 4.03Å; W213-K223 HydrophobicContact CZ2-CD 3.95Å; W213-K223 HydrophobicContact CZ2-CG 4.25Å; W213-K223 HydrophobicContact CZ3-CB 3.77Å; K223-E225 PolarHBondContact O-N 3.41Å |
| 224 | D | 63.8 | Low | 66.9 | Low | 72 Ų | 72 | 123.7 Ų | 123.7 | 39% | 0.385 | 62% | 0.619 | S | S | . | * | trans | -74.4 | 110.3 | 179.8 | -166.5 | -16.1 | 0 | 0 | 0 | 108.5 | G212 V214 V222 N226 V227 | G212-D224 PolarHBondContact O-N 3.02Å; V214-D224 HydrophobicContact CG2-CB 4.42Å; V222-D224 PolarHBondContact O-N 3.36Å; D224-N226 PolarHBondContact O-N 3.02Å; D224-N226 WeakPolarHBondContact OD1-CB 3.46Å; D224-N226 PolarHBondContact OD1-N 3.24Å; D224-V227 HydrophobicContact CB-CG2 4.08Å | ||
| 225 | E | 61.8 | Low | 66 | Low | 180 Ų | 180 | 127.7 Ų | 127.7 | 84% | 0.841 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -6.6 | 179.7 | -157.5 | 171.3 | -180 | 0 | 0 | 111.6 | K223 | K223-E225 PolarHBondContact O-N 3.41Š|
| 226 | N | 53.8 | Low | 64.9 | Low | 140 Ų | 140 | 128.4 Ų | 128.4 | 75% | 0.749 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | 8.5 | -176.6 | -67.1 | 96.4 | 0 | 0 | 0 | 114.4 | D224 E228 | D224-N226 PolarHBondContact O-N 3.02Å; D224-N226 WeakPolarHBondContact OD1-CB 3.46Å; D224-N226 PolarHBondContact OD1-N 3.24Å; N226-E228 PolarHBondContact O-N 2.99Å |
| 227 | V | 56.9 | Low | 63.7 | Low | 95 Ų | 95 | 128.5 Ų | 128.5 | 58% | 0.576 | 66% | 0.658 | S | S | * | * | trans | -84.7 | 60.4 | 166.4 | -167.1 | 0 | 0 | 0 | 0 | 109 | D224 F229 | D224-V227 HydrophobicContact CB-CG2 4.08Å; V227-F229 VanDerWaalsContact C-N 3.28Å; V227-F229 PolarHBondContact O-N 3.33Å; V227-F229 VanDerWaalsContact O-N 3.08Å | ||
| 228 | E | 52.2 | Low | 62.4 | Low | 166 Ų | 166 | 121.4 Ų | 121.4 | 78% | 0.776 | 65% | 0.645 | S | S | * | * | trans | -65.2 | 100.8 | 152 | -71.4 | -179.7 | 155.7 | 0 | 0 | 105.2 | N226 D230 | N226-E228 PolarHBondContact O-N 2.99Å; E228-D230 PolarHBondContact O-N 2.98Å | ||
| 229 | F | 43.9 | Very low | 60.9 | Low | 183 Ų | 183 | 123.3 Ų | 123.3 | 80% | 0.803 | 65% | 0.654 | S | S | * | * | trans | -64 | 99.4 | 158.1 | -155.5 | -93.3 | 0 | 0 | 0 | 104.4 | V227 S231 | V227-F229 VanDerWaalsContact C-N 3.28Å; V227-F229 PolarHBondContact O-N 3.33Å; V227-F229 VanDerWaalsContact O-N 3.08Å; F229-S231 PolarHBondContact O-N 3.14Å | ||
| 230 | D | 46.2 | Very low | 59.9 | Low | 125 Ų | 125 | 127.2 Ų | 127.2 | 67% | 0.668 | 67% | 0.669 | S | S | * | * | trans | -55.3 | 93.6 | 164.3 | -101.8 | -23.9 | 0 | 0 | 0 | 105.7 | E228 D232 | E228-D230 PolarHBondContact O-N 2.98Å; D230-D232 PolarHBondContact O-N 3.09Å | ||
| 231 | S | 54.6 | Low | 58.8 | Low | 103 Ų | 103 | 126.8 Ų | 126.8 | 72% | 0.72 | 68% | 0.677 | S | S | * | * | trans | -66.2 | 72.7 | 148 | -86.2 | 0 | 0 | 0 | 0 | 106 | F229 E233 | F229-S231 PolarHBondContact O-N 3.14Å; S231-E233 PolarHBondContact O-N 3.36Å | ||
| 232 | D | 50 | Low | 56.9 | Low | 130 Ų | 130 | 131.9 Ų | 131.9 | 70% | 0.695 | 71% | 0.708 | S | S | * | * | trans | -76 | 64 | 158.5 | 70.7 | -27.1 | 0 | 0 | 0 | 108.3 | D230 E234 | D230-D232 PolarHBondContact O-N 3.09Å; D232-E234 PolarHBondContact O-N 3.19Å | ||
| 233 | E | 54.4 | Low | 55.4 | Low | 167 Ų | 167 | 133.6 Ų | 133.6 | 78% | 0.78 | 72% | 0.723 | S | S | * | * | trans | -59.5 | 76 | 149.9 | -175.4 | -177.1 | 101.4 | 0 | 0 | 107.7 | S231 E235 | S231-E233 PolarHBondContact O-N 3.36Å; E233-E235 VanDerWaalsContact C-N 3.25Å; E233-E235 PolarHBondContact O-N 3.13Å; E233-E235 VanDerWaalsContact O-N 3.14Å | ||
| 234 | E | 54.8 | Low | 53.7 | Low | 178 Ų | 178 | 134 Ų | 134 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | trans | -80.8 | 84.3 | 161.1 | -166.3 | 171.6 | 159 | 0 | 0 | 107.4 | D232 P236 | D232-E234 PolarHBondContact O-N 3.19Å; E234-P236 WeakPolarHBondContact O-CD 3.41Å | ||
| 235 | E | 62.7 | Low | 52.8 | Low | 148 Ų | 148 | 139.7 Ų | 139.7 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 118.7 | 167.6 | -172 | -179 | 167.5 | 0 | 0 | 108.5 | E233 A237 | E233-E235 VanDerWaalsContact C-N 3.25Å; E233-E235 PolarHBondContact O-N 3.13Å; E233-E235 VanDerWaalsContact O-N 3.14Å; E235-A237 PolarHBondContact O-N 3.35Å; E235-A237 VanDerWaalsContact O-N 3.09Å |
| 236 | P | 62.3 | Low | 52.4 | Low | 113 Ų | 113 | 137.7 Ų | 137.7 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 118.7 | 179.4 | 24.5 | -31.6 | 0 | 0 | 0 | 109.4 | E234 | E234-P236 WeakPolarHBondContact O-CD 3.41Š|
| 237 | A | 56.7 | Low | 52.3 | Low | 78 Ų | 78 | 137.5 Ų | 137.5 | 65% | 0.645 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 131 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E235 L239 | E235-A237 PolarHBondContact O-N 3.35Å; E235-A237 VanDerWaalsContact O-N 3.09Å; A237-L239 PolarHBondContact O-N 3.18Å |
| 238 | P | 55.8 | Low | 52.1 | Low | 109 Ų | 109 | 139.9 Ų | 139.9 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | trans | -76.4 | 106.9 | 178.2 | 28.5 | -30.8 | 0 | 0 | 0 | 110.1 | V240 | P238-V240 PolarHBondContact O-N 3.25Š| ||
| 239 | L | 48.6 | Very low | 52 | Low | 171 Ų | 171 | 138.4 Ų | 138.4 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | trans | -86.2 | 91.8 | 168.7 | -62 | -175.5 | 0 | 0 | 0 | 110.1 | A237 | A237-L239 PolarHBondContact O-N 3.18Š| ||
| 240 | V | 59.6 | Low | 52.6 | Low | 125 Ų | 125 | 135.6 Ų | 135.6 | 76% | 0.758 | 79% | 0.793 | S | S | * | * | trans | -62.7 | 152.5 | 165.1 | -128.2 | 0 | 0 | 0 | 0 | 109.7 | P238 | P238-V240 PolarHBondContact O-N 3.25Š| ||
| 241 | P | 57 | Low | 53 | Low | 112 Ų | 112 | 136.3 Ų | 136.3 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -87.7 | 144.5 | -161.3 | 35.4 | -29.3 | 0 | 0 | 0 | 112 | ||||
| 242 | L | 43.5 | Very low | 52.9 | Low | 179 Ų | 179 | 138.6 Ų | 138.6 | 94% | 0.937 | 81% | 0.807 | S | S | * | * | trans | -113.8 | 101 | 166 | -77.8 | 167.9 | 0 | 0 | 0 | 109.9 | ||||
| 243 | S | 48 | Very low | 53.1 | Low | 97 Ų | 97 | 139.3 Ų | 139.3 | 68% | 0.678 | 82% | 0.815 | S | S | * | * | trans | -73.4 | 158.9 | 154.3 | -62.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 244 | T | 40.1 | Very low | 53 | Low | 143 Ų | 143 | 137 Ų | 137 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | trans | 80.7 | 124.6 | 173.3 | 74.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 245 | S | 46.7 | Very low | 52.8 | Low | 191 Ų | 191 | 133.3 Ų | 133.3 | 100% | 1.336 | 82% | 0.817 | S | S | * | * | cis | -147.4 | 0 | 35.8 | -167.7 | 0 | 0 | 0 | 0 | 113.6 |
Retrieved 245 of 245 residues in 263.5 ms
(Link to these results)